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 2gbc_1_A DATA FIRST_RESID 38 DATA SEQUENCE RRTYTLADYL KNTFRVKSYS LRWVSDSEYL YKQENNILLF NAEHGNSSIF DATA SEQUENCE LENSTFEIFG DSISDYSVSP DRLFVLLEYN YVKQWRHSYT ASYSIYDLNK DATA SEQUENCE RQLITEEKIP NNTQWITWSQ EGHKLAYVWK NDIYVKIEPH LPSHRITSTG DATA SEQUENCE KENVIFNGIN DWVYEEEIFG AYSALWWSPN GTFLAYAQFN DTGVPLIEYS DATA SEQUENCE FYSDESLQYP KTVWIPYPKA GAVNPTVKFF IVNTDSLSST TTTIPMQITA DATA SEQUENCE PASVTTGDHY LCDVAWVSED RISLQWLRRI QNYSVMAIcD YDKTTLVWNc DATA SEQUENCE PTTQEHIETS ATGWCGRFRP AEPHFTSDGS SFYKIVSDKD GYKHIcQFQK DATA SEQUENCE DRKPEQVcTF ITKGAWEVIS IEALTSDYLY YISNEYKEMP GGRNLYKIQL DATA SEQUENCE TDHTNKKCLS CDLNPERcQY YSVSLSKEAK YYQLGcRGPG LPLYTLHRST DATA SEQUENCE DQKELRVLED NSALDKMLQD VQMPSKKLDF IVLNETRFWY QMILPPHFDK DATA SEQUENCE SKKYPLLIDV YAGPCSQKAD AAFRLNWATY LASTENIIVA SFDGRGSGYQ DATA SEQUENCE GDKIMHAINK RLGTLEVEDQ IEAARQFLKM GFVDSKRVAI WGWSYGGYVT DATA SEQUENCE SMVLGSGSGV FKcGIAVAPV SRWEYYDSVY TERYMGLPTP EDNLDHYRNS DATA SEQUENCE TVMSRAENFK QVEYLLIHGT ADDNVHFQQS AQISKALVDA GVDFQAMWYT DATA SEQUENCE DEDHGIASST AHQHIYSHMS HFLQQcFSLR 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 38 R HA 0.000 nan 4.340 nan 0.000 0.208 38 R C 0.000 176.355 176.300 0.092 0.000 0.893 38 R CA 0.000 56.152 56.100 0.087 0.000 0.921 38 R CB 0.000 30.347 30.300 0.079 0.000 0.687 39 R N 0.405 120.963 120.500 0.097 0.000 2.531 39 R HA 0.819 5.158 4.340 -0.000 0.000 0.273 39 R C 0.840 177.215 176.300 0.126 0.000 1.070 39 R CA 0.503 56.671 56.100 0.114 0.000 1.112 39 R CB 0.216 30.596 30.300 0.133 0.000 1.049 39 R HN 1.142 nan 8.270 nan 0.000 0.508 40 T N -2.274 112.365 114.554 0.143 0.000 2.938 40 T HA 0.485 4.835 4.350 -0.000 0.000 0.285 40 T C -0.476 174.376 174.700 0.254 0.000 1.028 40 T CA -0.600 61.597 62.100 0.162 0.000 1.005 40 T CB 1.086 70.031 68.868 0.128 0.000 1.157 40 T HN 0.545 nan 8.240 nan 0.000 0.550 41 Y N 2.813 123.199 120.300 0.144 0.000 2.539 41 Y HA 0.369 4.919 4.550 -0.000 0.000 0.352 41 Y C 1.023 177.105 175.900 0.302 0.000 1.004 41 Y CA -0.496 57.746 58.100 0.237 0.000 1.278 41 Y CB -0.413 38.150 38.460 0.172 0.000 1.136 41 Y HN 0.992 nan 8.280 nan 0.000 0.528 42 T N 2.047 116.625 114.554 0.040 0.000 2.824 42 T HA 0.123 4.472 4.350 -0.000 0.000 0.277 42 T C 1.060 175.722 174.700 -0.063 0.000 0.975 42 T CA -0.700 61.482 62.100 0.137 0.000 0.966 42 T CB 1.074 69.978 68.868 0.060 0.000 1.054 42 T HN 0.648 nan 8.240 nan 0.000 0.533 43 L N 1.113 122.156 121.223 -0.301 0.000 2.083 43 L HA 0.143 4.483 4.340 -0.000 0.000 0.209 43 L C 2.748 179.456 176.870 -0.270 0.000 1.083 43 L CA 2.214 56.632 54.840 -0.703 0.000 0.752 43 L CB -1.456 40.074 42.059 -0.882 0.000 0.899 43 L HN 0.923 nan 8.230 nan 0.000 0.433 44 A N -0.917 121.787 122.820 -0.194 0.000 1.902 44 A HA -0.224 4.096 4.320 -0.000 0.000 0.217 44 A C 2.023 179.498 177.584 -0.182 0.000 1.181 44 A CA 1.829 53.776 52.037 -0.151 0.000 0.623 44 A CB -0.792 18.146 19.000 -0.103 0.000 0.818 44 A HN 0.519 nan 8.150 nan 0.000 0.443 45 D N -1.641 118.610 120.400 -0.250 0.000 2.149 45 D HA -0.180 4.460 4.640 -0.000 0.000 0.198 45 D C 1.662 177.834 176.300 -0.213 0.000 0.990 45 D CA 1.758 55.561 54.000 -0.329 0.000 0.839 45 D CB -0.320 40.181 40.800 -0.499 0.000 0.948 45 D HN 0.628 nan 8.370 nan 0.000 0.460 46 Y N 1.404 121.488 120.300 -0.359 0.000 2.130 46 Y HA -0.062 4.488 4.550 -0.000 0.000 0.287 46 Y C 2.280 178.154 175.900 -0.044 0.000 1.124 46 Y CA 1.112 59.174 58.100 -0.064 0.000 1.118 46 Y CB -0.648 37.813 38.460 0.002 0.000 0.994 46 Y HN -0.138 nan 8.280 nan 0.000 0.497 47 L N 0.178 121.215 121.223 -0.310 0.000 2.083 47 L HA -0.205 4.135 4.340 -0.000 0.000 0.209 47 L C 1.861 178.599 176.870 -0.220 0.000 1.083 47 L CA 1.447 56.069 54.840 -0.364 0.000 0.752 47 L CB -0.464 41.455 42.059 -0.233 0.000 0.899 47 L HN 0.109 nan 8.230 nan 0.000 0.433 48 K N -0.025 120.275 120.400 -0.166 0.000 2.387 48 K HA 0.048 4.368 4.320 -0.000 0.000 0.198 48 K C 0.133 176.667 176.600 -0.110 0.000 1.022 48 K CA -0.181 56.033 56.287 -0.121 0.000 1.128 48 K CB -0.446 31.987 32.500 -0.111 0.000 0.853 48 K HN 0.163 nan 8.250 nan 0.000 0.523 49 N N 1.508 120.142 118.700 -0.110 0.000 2.650 49 N HA -0.176 4.564 4.740 -0.000 0.000 0.272 49 N C 0.093 175.567 175.510 -0.061 0.000 1.058 49 N CA 0.884 53.911 53.050 -0.039 0.000 0.765 49 N CB -1.092 37.378 38.487 -0.030 0.000 0.902 49 N HN 0.087 nan 8.380 nan 0.000 0.551 50 T N 0.314 114.771 114.554 -0.161 0.000 2.896 50 T HA 0.021 4.370 4.350 -0.000 0.000 0.263 50 T C 0.491 174.963 174.700 -0.380 0.000 1.050 50 T CA 1.039 62.913 62.100 -0.375 0.000 1.140 50 T CB -0.125 68.321 68.868 -0.703 0.000 0.877 50 T HN 0.413 nan 8.240 nan 0.000 0.457 51 F N 2.636 122.693 119.950 0.179 0.000 2.309 51 F HA 0.387 4.914 4.527 -0.000 0.000 0.366 51 F C 0.623 176.525 175.800 0.170 0.000 1.104 51 F CA -1.272 56.840 58.000 0.188 0.000 1.179 51 F CB 0.367 39.522 39.000 0.259 0.000 1.437 51 F HN -0.139 nan 8.300 nan 0.000 0.528 52 R N 2.520 123.170 120.500 0.251 0.000 2.442 52 R HA 0.371 4.711 4.340 -0.000 0.000 0.291 52 R C -1.198 175.228 176.300 0.210 0.000 1.069 52 R CA -0.236 55.977 56.100 0.188 0.000 1.022 52 R CB 0.817 31.189 30.300 0.121 0.000 0.976 52 R HN 0.418 nan 8.270 nan 0.000 0.443 53 V N 6.229 126.266 119.914 0.206 0.000 2.318 53 V HA 0.193 4.313 4.120 -0.000 0.000 0.271 53 V C 0.170 176.370 176.094 0.177 0.000 1.030 53 V CA -0.547 61.885 62.300 0.220 0.000 0.844 53 V CB 0.998 32.990 31.823 0.281 0.000 1.015 53 V HN 0.808 nan 8.190 nan 0.000 0.460 54 K N 2.794 123.290 120.400 0.159 0.000 2.138 54 K HA 0.595 4.915 4.320 -0.000 0.000 0.251 54 K C 0.441 177.122 176.600 0.135 0.000 1.015 54 K CA -0.133 56.230 56.287 0.127 0.000 0.917 54 K CB 1.082 33.653 32.500 0.118 0.000 1.021 54 K HN 0.834 nan 8.250 nan 0.000 0.485 55 S N -0.179 115.509 115.700 -0.020 0.000 2.776 55 S HA 0.384 4.854 4.470 -0.000 0.000 0.292 55 S C -1.677 172.641 174.600 -0.471 0.000 1.187 55 S CA -0.847 57.095 58.200 -0.429 0.000 0.834 55 S CB 0.838 63.879 63.200 -0.265 0.000 1.199 55 S HN 0.622 nan 8.310 nan 0.000 0.514 56 Y N 1.109 120.790 120.300 -1.032 0.000 2.628 56 Y HA 0.517 5.067 4.550 -0.001 0.000 0.354 56 Y C -0.744 174.971 175.900 -0.308 0.000 1.061 56 Y CA -0.348 57.469 58.100 -0.472 0.000 1.251 56 Y CB 1.187 39.345 38.460 -0.505 0.000 1.098 56 Y HN 0.734 nan 8.280 nan 0.000 0.626 57 S N 6.138 121.717 115.700 -0.200 0.000 2.411 57 S HA 0.404 4.874 4.470 -0.000 0.000 0.304 57 S C -0.448 174.046 174.600 -0.177 0.000 1.098 57 S CA -0.582 57.533 58.200 -0.140 0.000 1.068 57 S CB -0.465 62.681 63.200 -0.089 0.000 1.032 57 S HN 0.547 nan 8.310 nan 0.000 0.511 58 L N 1.574 122.642 121.223 -0.257 0.000 2.376 58 L HA 0.740 5.080 4.340 -0.000 0.000 0.267 58 L C 0.086 176.811 176.870 -0.242 0.000 1.035 58 L CA -0.794 53.824 54.840 -0.371 0.000 0.800 58 L CB 0.385 41.868 42.059 -0.960 0.000 1.290 58 L HN 0.298 nan 8.230 nan 0.000 0.462 59 R N 0.206 120.607 120.500 -0.165 0.000 2.467 59 R HA 0.294 4.634 4.340 -0.000 0.000 0.299 59 R C -1.708 174.623 176.300 0.051 0.000 1.120 59 R CA -0.272 55.817 56.100 -0.017 0.000 0.940 59 R CB 0.897 31.238 30.300 0.067 0.000 1.161 59 R HN 0.657 nan 8.270 nan 0.000 0.506 60 W N 2.714 124.096 121.300 0.137 0.000 2.397 60 W HA -0.019 4.641 4.660 -0.001 0.000 0.327 60 W C 1.165 177.759 176.519 0.126 0.000 1.421 60 W CA -0.277 57.168 57.345 0.167 0.000 1.288 60 W CB 0.571 30.117 29.460 0.144 0.000 1.312 60 W HN 0.369 nan 8.180 nan 0.000 0.559 61 V N 2.595 122.738 119.914 0.382 0.000 3.125 61 V HA -0.022 4.098 4.120 -0.000 0.000 0.249 61 V C 0.945 177.162 176.094 0.204 0.000 1.113 61 V CA 1.432 63.855 62.300 0.204 0.000 1.106 61 V CB -0.080 31.789 31.823 0.076 0.000 0.768 61 V HN 0.606 nan 8.190 nan 0.000 0.468 62 S N -1.510 114.355 115.700 0.274 0.000 2.973 62 S HA 0.311 4.781 4.470 -0.000 0.000 0.317 62 S C 0.263 174.977 174.600 0.188 0.000 1.196 62 S CA 0.107 58.423 58.200 0.194 0.000 0.894 62 S CB 1.338 64.630 63.200 0.155 0.000 1.292 62 S HN 0.048 nan 8.310 nan 0.000 0.614 63 D N 0.393 120.866 120.400 0.123 0.000 2.355 63 D HA 0.158 4.798 4.640 -0.000 0.000 0.218 63 D C 1.252 177.657 176.300 0.175 0.000 1.004 63 D CA 1.229 55.265 54.000 0.060 0.000 0.880 63 D CB 0.051 40.883 40.800 0.053 0.000 0.911 63 D HN 0.517 nan 8.370 nan 0.000 0.528 64 S N -2.169 113.685 115.700 0.257 0.000 2.817 64 S HA 0.296 4.765 4.470 -0.000 0.000 0.262 64 S C 0.371 175.122 174.600 0.252 0.000 1.051 64 S CA -0.689 57.684 58.200 0.289 0.000 1.185 64 S CB 0.880 64.243 63.200 0.271 0.000 1.152 64 S HN 0.032 nan 8.310 nan 0.000 0.653 65 E N 0.528 120.936 120.200 0.346 0.000 2.369 65 E HA 0.665 5.015 4.350 -0.000 0.000 0.270 65 E C -1.631 175.167 176.600 0.330 0.000 0.909 65 E CA -1.067 55.456 56.400 0.204 0.000 0.775 65 E CB 2.157 31.907 29.700 0.084 0.000 1.270 65 E HN 0.429 nan 8.360 nan 0.000 0.445 66 Y N -1.016 119.320 120.300 0.061 0.000 2.655 66 Y HA 0.645 5.195 4.550 -0.000 0.000 0.336 66 Y C -1.878 173.996 175.900 -0.043 0.000 1.154 66 Y CA -1.325 56.712 58.100 -0.106 0.000 1.055 66 Y CB 0.783 38.855 38.460 -0.646 0.000 1.295 66 Y HN 0.353 nan 8.280 nan 0.000 0.465 67 L N 2.345 123.732 121.223 0.274 0.000 2.334 67 L HA 0.551 4.891 4.340 -0.000 0.000 0.276 67 L C -1.480 175.584 176.870 0.323 0.000 1.014 67 L CA -1.016 53.955 54.840 0.217 0.000 0.815 67 L CB 1.898 43.993 42.059 0.061 0.000 1.268 67 L HN 0.773 nan 8.230 nan 0.000 0.428 68 Y N 2.584 122.965 120.300 0.136 0.000 2.433 68 Y HA 0.305 4.854 4.550 -0.000 0.000 0.337 68 Y C -0.608 175.284 175.900 -0.013 0.000 1.026 68 Y CA -1.177 56.885 58.100 -0.064 0.000 1.037 68 Y CB 1.693 39.977 38.460 -0.293 0.000 1.245 68 Y HN 0.432 nan 8.280 nan 0.000 0.443 69 K N 4.999 124.986 120.400 -0.689 0.000 2.297 69 K HA 0.285 4.605 4.320 -0.000 0.000 0.286 69 K C -1.078 175.113 176.600 -0.682 0.000 1.053 69 K CA -0.266 55.704 56.287 -0.529 0.000 0.940 69 K CB 0.652 32.934 32.500 -0.364 0.000 1.019 69 K HN 0.864 nan 8.250 nan 0.000 0.475 70 Q N 4.026 123.635 119.800 -0.318 0.000 2.269 70 Q HA 0.083 4.423 4.340 -0.000 0.000 0.263 70 Q C -1.174 174.757 176.000 -0.115 0.000 0.983 70 Q CA -0.212 55.501 55.803 -0.150 0.000 0.777 70 Q CB 1.121 29.911 28.738 0.086 0.000 1.273 70 Q HN 0.798 nan 8.270 nan 0.000 0.440 71 E N 2.897 123.037 120.200 -0.100 0.000 2.539 71 E HA -0.362 3.988 4.350 -0.000 0.000 0.253 71 E C -0.597 175.921 176.600 -0.136 0.000 1.145 71 E CA 0.604 56.954 56.400 -0.084 0.000 0.738 71 E CB -1.124 28.548 29.700 -0.048 0.000 1.308 71 E HN 0.881 nan 8.360 nan 0.000 0.409 72 N N -0.006 118.573 118.700 -0.202 0.000 2.815 72 N HA -0.137 4.603 4.740 -0.000 0.000 0.248 72 N C -1.237 174.002 175.510 -0.451 0.000 1.110 72 N CA 0.914 53.772 53.050 -0.320 0.000 0.699 72 N CB -0.871 37.489 38.487 -0.211 0.000 1.040 72 N HN 0.406 nan 8.380 nan 0.000 0.555 73 N N 0.736 119.213 118.700 -0.371 0.000 2.371 73 N HA 0.316 5.055 4.740 -0.000 0.000 0.291 73 N C -0.346 174.997 175.510 -0.279 0.000 1.053 73 N CA -0.524 52.333 53.050 -0.323 0.000 0.870 73 N CB 1.432 39.818 38.487 -0.169 0.000 1.503 73 N HN -0.018 nan 8.380 nan 0.000 0.485 74 I N 3.134 123.536 120.570 -0.281 0.000 2.352 74 I HA 0.329 4.499 4.170 -0.000 0.000 0.290 74 I C 0.365 176.515 176.117 0.054 0.000 1.036 74 I CA -0.206 61.008 61.300 -0.142 0.000 1.336 74 I CB 0.194 38.101 38.000 -0.155 0.000 1.407 74 I HN 0.281 nan 8.210 nan 0.000 0.497 75 L N 6.375 127.681 121.223 0.138 0.000 2.334 75 L HA 0.463 4.803 4.340 -0.000 0.000 0.276 75 L C -0.428 176.571 176.870 0.215 0.000 1.014 75 L CA -1.048 53.893 54.840 0.168 0.000 0.815 75 L CB 2.244 44.427 42.059 0.206 0.000 1.268 75 L HN 0.334 nan 8.230 nan 0.000 0.428 76 L N 2.863 124.111 121.223 0.043 0.000 2.264 76 L HA 0.513 4.853 4.340 -0.000 0.000 0.289 76 L C -0.967 175.790 176.870 -0.189 0.000 1.044 76 L CA 0.386 55.214 54.840 -0.019 0.000 0.807 76 L CB 0.404 42.460 42.059 -0.004 0.000 1.192 76 L HN 0.178 nan 8.230 nan 0.000 0.425 77 F N 3.468 123.145 119.950 -0.454 0.000 2.470 77 F HA 0.444 4.971 4.527 -0.000 0.000 0.329 77 F C 0.586 176.068 175.800 -0.530 0.000 1.072 77 F CA -0.646 56.995 58.000 -0.597 0.000 0.989 77 F CB 1.190 39.528 39.000 -1.103 0.000 1.193 77 F HN 0.523 nan 8.300 nan 0.000 0.481 78 N N 1.739 120.343 118.700 -0.161 0.000 2.501 78 N HA 0.422 5.162 4.740 -0.000 0.000 0.245 78 N C -1.074 174.365 175.510 -0.118 0.000 0.974 78 N CA -0.218 52.774 53.050 -0.097 0.000 0.941 78 N CB 1.358 39.836 38.487 -0.015 0.000 1.122 78 N HN 0.727 nan 8.380 nan 0.000 0.507 79 A N 3.012 125.718 122.820 -0.190 0.000 2.492 79 A HA 0.332 4.651 4.320 -0.000 0.000 0.254 79 A C 0.838 178.133 177.584 -0.483 0.000 1.091 79 A CA 0.253 52.084 52.037 -0.343 0.000 0.768 79 A CB 0.144 18.795 19.000 -0.581 0.000 1.028 79 A HN 0.948 nan 8.150 nan 0.000 0.498 80 E N 0.351 120.376 120.200 -0.292 0.000 3.394 80 E HA -0.124 4.226 4.350 -0.000 0.000 0.130 80 E C -0.500 175.849 176.600 -0.418 0.000 0.702 80 E CA 0.940 57.158 56.400 -0.304 0.000 3.027 80 E CB -0.912 28.569 29.700 -0.365 0.000 1.226 80 E HN 0.831 nan 8.360 nan 0.000 0.753 81 H N 0.034 119.102 119.070 -0.002 0.000 2.539 81 H HA 0.520 5.076 4.556 -0.000 0.000 0.332 81 H C 1.072 176.397 175.328 -0.006 0.000 1.031 81 H CA 0.046 56.093 56.048 -0.001 0.000 1.206 81 H CB 1.465 31.224 29.762 -0.004 0.000 1.446 81 H HN 0.420 nan 8.280 nan 0.000 0.496 82 G N 2.925 111.785 108.800 0.101 0.000 2.659 82 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.219 82 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.219 82 G C 0.931 175.869 174.900 0.064 0.000 1.105 82 G CA 0.107 45.271 45.100 0.106 0.000 0.727 82 G HN 0.560 nan 8.290 nan 0.000 0.583 83 N N 0.730 119.451 118.700 0.036 0.000 2.034 83 N HA -0.072 4.668 4.740 -0.000 0.000 0.293 83 N C 0.909 176.305 175.510 -0.190 0.000 1.336 83 N CA 0.853 53.875 53.050 -0.047 0.000 0.819 83 N CB 0.388 38.878 38.487 0.005 0.000 1.071 83 N HN 0.402 nan 8.380 nan 0.000 0.495 84 S N 2.014 117.524 115.700 -0.317 0.000 2.589 84 S HA 0.785 5.255 4.470 -0.000 0.000 0.272 84 S C -0.141 174.238 174.600 -0.368 0.000 1.096 84 S CA -0.123 57.709 58.200 -0.613 0.000 0.985 84 S CB 1.329 63.957 63.200 -0.953 0.000 1.278 84 S HN 0.864 nan 8.310 nan 0.000 0.528 85 S N -1.252 114.230 115.700 -0.363 0.000 2.816 85 S HA 0.204 4.674 4.470 -0.000 0.000 0.282 85 S C -1.760 172.773 174.600 -0.112 0.000 0.867 85 S CA -0.840 57.254 58.200 -0.177 0.000 0.886 85 S CB -0.571 62.563 63.200 -0.109 0.000 1.115 85 S HN 0.740 nan 8.310 nan 0.000 0.485 86 I N 4.908 125.444 120.570 -0.057 0.000 2.416 86 I HA 0.274 4.444 4.170 -0.000 0.000 0.288 86 I C 0.763 176.912 176.117 0.054 0.000 1.051 86 I CA -0.102 61.188 61.300 -0.017 0.000 1.375 86 I CB 0.770 38.743 38.000 -0.045 0.000 1.407 86 I HN 0.760 nan 8.210 nan 0.000 0.516 87 F N 7.321 127.231 119.950 -0.068 0.000 2.343 87 F HA 0.360 4.887 4.527 -0.000 0.000 0.286 87 F C 0.347 176.121 175.800 -0.043 0.000 1.057 87 F CA 0.509 58.486 58.000 -0.039 0.000 1.365 87 F CB 0.515 39.507 39.000 -0.014 0.000 1.114 87 F HN 0.158 nan 8.300 nan 0.000 0.545 88 L N 1.448 122.661 121.223 -0.016 0.000 2.438 88 L HA 0.286 4.626 4.340 -0.000 0.000 0.270 88 L C -0.492 176.277 176.870 -0.169 0.000 0.972 88 L CA -0.851 53.906 54.840 -0.139 0.000 0.831 88 L CB 1.849 43.856 42.059 -0.087 0.000 1.273 88 L HN -0.088 nan 8.230 nan 0.000 0.405 89 E N 2.030 122.135 120.200 -0.159 0.000 2.408 89 E HA -0.021 4.328 4.350 -0.000 0.000 0.259 89 E C 0.329 176.823 176.600 -0.177 0.000 1.110 89 E CA -0.122 56.193 56.400 -0.142 0.000 0.929 89 E CB 0.877 30.516 29.700 -0.101 0.000 0.971 89 E HN 0.521 nan 8.360 nan 0.000 0.438 90 N N 0.739 119.350 118.700 -0.149 0.000 2.137 90 N HA -0.142 4.598 4.740 -0.000 0.000 0.190 90 N C 1.213 176.671 175.510 -0.085 0.000 1.017 90 N CA 0.704 53.665 53.050 -0.147 0.000 0.859 90 N CB -0.005 38.426 38.487 -0.093 0.000 1.002 90 N HN 0.295 nan 8.380 nan 0.000 0.428 91 S N -0.959 114.704 115.700 -0.060 0.000 2.534 91 S HA -0.012 4.458 4.470 -0.000 0.000 0.241 91 S C 1.140 175.747 174.600 0.013 0.000 1.334 91 S CA 1.604 59.789 58.200 -0.025 0.000 0.978 91 S CB -0.020 63.157 63.200 -0.039 0.000 0.925 91 S HN 0.522 nan 8.310 nan 0.000 0.522 92 T N 0.215 114.761 114.554 -0.014 0.000 12.566 92 T HA -0.286 4.063 4.350 -0.000 0.000 0.419 92 T C 1.042 175.828 174.700 0.144 0.000 1.442 92 T CA 2.187 64.271 62.100 -0.027 0.000 2.381 92 T CB -1.888 66.874 68.868 -0.177 0.000 2.842 92 T HN 0.502 nan 8.240 nan 0.000 0.781 93 F N 2.815 122.731 119.950 -0.057 0.000 2.250 93 F HA -0.051 4.476 4.527 -0.000 0.000 0.301 93 F C 2.508 178.341 175.800 0.055 0.000 1.077 93 F CA 1.723 59.730 58.000 0.012 0.000 1.348 93 F CB -0.246 38.731 39.000 -0.038 0.000 1.040 93 F HN 0.558 nan 8.300 nan 0.000 0.509 94 E N 0.385 120.687 120.200 0.170 0.000 2.478 94 E HA -0.073 4.276 4.350 -0.000 0.000 0.194 94 E C 2.000 178.588 176.600 -0.019 0.000 1.045 94 E CA 0.531 56.976 56.400 0.075 0.000 0.868 94 E CB -0.776 28.947 29.700 0.039 0.000 0.885 94 E HN 0.429 nan 8.360 nan 0.000 0.505 95 I N 0.182 120.706 120.570 -0.077 0.000 2.335 95 I HA -0.206 3.964 4.170 -0.000 0.000 0.251 95 I C 0.777 176.572 176.117 -0.537 0.000 1.129 95 I CA 1.161 62.271 61.300 -0.317 0.000 1.402 95 I CB -0.309 37.424 38.000 -0.445 0.000 1.069 95 I HN -0.050 nan 8.210 nan 0.000 0.424 96 F N 1.258 121.089 119.950 -0.198 0.000 2.987 96 F HA 0.392 4.919 4.527 -0.000 0.000 0.302 96 F C 1.530 177.237 175.800 -0.155 0.000 1.221 96 F CA -0.001 57.830 58.000 -0.283 0.000 1.307 96 F CB -0.537 38.162 39.000 -0.503 0.000 1.108 96 F HN 0.080 nan 8.300 nan 0.000 0.521 97 G N 1.939 110.730 108.800 -0.016 0.000 2.698 97 G HA2 -0.407 3.553 3.960 -0.000 0.000 0.337 97 G HA3 -0.407 3.553 3.960 -0.000 0.000 0.337 97 G C 0.821 175.752 174.900 0.052 0.000 1.286 97 G CA 1.024 46.132 45.100 0.014 0.000 1.000 97 G HN 0.505 nan 8.290 nan 0.000 0.547 98 D N -0.178 120.257 120.400 0.057 0.000 2.535 98 D HA 0.209 4.849 4.640 -0.000 0.000 0.229 98 D C 1.616 177.954 176.300 0.062 0.000 1.238 98 D CA 1.021 55.057 54.000 0.060 0.000 0.824 98 D CB -0.085 40.740 40.800 0.043 0.000 1.045 98 D HN 0.778 nan 8.370 nan 0.000 0.500 99 S N -0.072 115.678 115.700 0.082 0.000 2.577 99 S HA 0.131 4.601 4.470 -0.000 0.000 0.219 99 S C 0.898 175.543 174.600 0.075 0.000 0.962 99 S CA -0.499 57.756 58.200 0.093 0.000 0.921 99 S CB -0.276 63.016 63.200 0.152 0.000 0.789 99 S HN 0.085 nan 8.310 nan 0.000 0.497 100 I N 3.853 124.437 120.570 0.023 0.000 2.577 100 I HA 0.062 4.232 4.170 -0.000 0.000 0.299 100 I C 1.719 177.804 176.117 -0.053 0.000 1.157 100 I CA 0.156 61.400 61.300 -0.094 0.000 1.418 100 I CB -0.533 37.318 38.000 -0.248 0.000 1.467 100 I HN 0.426 nan 8.210 nan 0.000 0.624 101 S N 4.173 119.847 115.700 -0.044 0.000 2.368 101 S HA -0.097 4.373 4.470 -0.000 0.000 0.224 101 S C 0.714 175.304 174.600 -0.017 0.000 1.029 101 S CA 1.283 59.452 58.200 -0.052 0.000 0.988 101 S CB 0.269 63.450 63.200 -0.032 0.000 0.838 101 S HN 0.775 nan 8.310 nan 0.000 0.462 102 D N -2.205 118.196 120.400 0.000 0.000 2.779 102 D HA 0.405 5.045 4.640 -0.000 0.000 0.331 102 D C -1.768 174.606 176.300 0.122 0.000 1.331 102 D CA -0.517 53.534 54.000 0.084 0.000 0.866 102 D CB 1.059 41.897 40.800 0.064 0.000 1.409 102 D HN 0.288 nan 8.370 nan 0.000 0.486 103 Y N -1.266 119.092 120.300 0.096 0.000 2.571 103 Y HA 0.732 5.281 4.550 -0.000 0.000 0.341 103 Y C -1.483 174.551 175.900 0.223 0.000 1.076 103 Y CA -0.892 57.289 58.100 0.136 0.000 1.029 103 Y CB 1.757 40.346 38.460 0.216 0.000 1.308 103 Y HN 0.178 nan 8.280 nan 0.000 0.461 104 S N 2.567 118.448 115.700 0.302 0.000 2.672 104 S HA 0.657 5.127 4.470 -0.000 0.000 0.291 104 S C -1.844 173.106 174.600 0.583 0.000 1.145 104 S CA -0.570 57.817 58.200 0.310 0.000 1.013 104 S CB 1.037 64.418 63.200 0.301 0.000 1.017 104 S HN 0.725 nan 8.310 nan 0.000 0.487 105 V N 5.272 125.440 119.914 0.423 0.000 2.432 105 V HA 0.416 4.535 4.120 -0.000 0.000 0.275 105 V C 0.698 176.701 176.094 -0.151 0.000 1.043 105 V CA -0.573 61.903 62.300 0.293 0.000 0.925 105 V CB 1.306 33.312 31.823 0.306 0.000 0.985 105 V HN 1.027 nan 8.190 nan 0.000 0.466 106 S N 7.208 122.475 115.700 -0.722 0.000 2.558 106 S HA 0.108 4.578 4.470 -0.000 0.000 0.288 106 S C -1.047 173.253 174.600 -0.499 0.000 1.318 106 S CA -0.593 56.716 58.200 -1.485 0.000 1.056 106 S CB 0.583 62.797 63.200 -1.643 0.000 0.853 106 S HN 0.680 nan 8.310 nan 0.000 0.505 107 P HA -0.170 nan 4.420 nan 0.000 0.218 107 P C 0.471 177.737 177.300 -0.057 0.000 1.146 107 P CA 1.614 64.650 63.100 -0.105 0.000 0.813 107 P CB -0.300 31.367 31.700 -0.054 0.000 0.778 108 D N -1.217 119.143 120.400 -0.066 0.000 2.336 108 D HA -0.002 4.638 4.640 -0.000 0.000 0.228 108 D C 0.523 176.839 176.300 0.027 0.000 1.120 108 D CA -0.509 53.499 54.000 0.014 0.000 0.839 108 D CB -0.778 40.070 40.800 0.080 0.000 0.932 108 D HN 0.056 nan 8.370 nan 0.000 0.509 109 R N -0.552 119.962 120.500 0.024 0.000 3.826 109 R HA -0.205 4.134 4.340 -0.000 0.000 0.295 109 R C 0.613 176.962 176.300 0.082 0.000 1.200 109 R CA 0.806 56.998 56.100 0.153 0.000 0.818 109 R CB -2.220 28.222 30.300 0.237 0.000 1.216 109 R HN 0.358 nan 8.270 nan 0.000 0.513 110 L N -1.069 120.110 121.223 -0.073 0.000 2.477 110 L HA 0.219 4.558 4.340 -0.000 0.000 0.220 110 L C 0.438 176.858 176.870 -0.749 0.000 1.106 110 L CA 0.675 55.277 54.840 -0.396 0.000 0.851 110 L CB 0.159 41.938 42.059 -0.467 0.000 0.994 110 L HN -0.002 nan 8.230 nan 0.000 0.462 111 F N -1.964 117.938 119.950 -0.079 0.000 2.664 111 F HA 0.606 5.133 4.527 -0.000 0.000 0.317 111 F C -0.483 175.422 175.800 0.175 0.000 1.108 111 F CA -1.100 56.922 58.000 0.037 0.000 0.957 111 F CB 1.730 40.781 39.000 0.085 0.000 1.365 111 F HN -0.586 nan 8.300 nan 0.000 0.475 112 V N 2.298 122.574 119.914 0.604 0.000 2.733 112 V HA 0.356 4.475 4.120 -0.000 0.000 0.306 112 V C -0.741 175.710 176.094 0.595 0.000 1.084 112 V CA -0.771 61.893 62.300 0.607 0.000 0.905 112 V CB 2.203 34.335 31.823 0.515 0.000 1.010 112 V HN 0.566 nan 8.190 nan 0.000 0.424 113 L N 5.259 126.843 121.223 0.601 0.000 2.290 113 L HA 0.477 4.817 4.340 -0.000 0.000 0.284 113 L C -0.689 176.335 176.870 0.257 0.000 1.078 113 L CA -0.251 54.800 54.840 0.351 0.000 0.815 113 L CB 0.913 43.089 42.059 0.196 0.000 1.162 113 L HN 0.471 nan 8.230 nan 0.000 0.435 114 L N 4.775 126.064 121.223 0.111 0.000 2.276 114 L HA 0.386 4.726 4.340 -0.000 0.000 0.286 114 L C 0.059 176.820 176.870 -0.182 0.000 1.024 114 L CA -0.336 54.421 54.840 -0.138 0.000 0.826 114 L CB 1.543 43.349 42.059 -0.420 0.000 1.211 114 L HN 0.592 nan 8.230 nan 0.000 0.422 115 E N 4.614 124.703 120.200 -0.185 0.000 2.200 115 E HA 0.425 4.775 4.350 -0.000 0.000 0.283 115 E C -1.576 174.872 176.600 -0.253 0.000 1.015 115 E CA -0.432 55.719 56.400 -0.415 0.000 0.819 115 E CB 0.955 30.542 29.700 -0.190 0.000 1.081 115 E HN 0.462 nan 8.360 nan 0.000 0.397 116 Y N 1.457 121.448 120.300 -0.515 0.000 2.638 116 Y HA 0.422 4.972 4.550 -0.000 0.000 0.335 116 Y C -0.561 175.229 175.900 -0.184 0.000 1.155 116 Y CA -1.444 56.478 58.100 -0.296 0.000 1.046 116 Y CB 0.863 39.132 38.460 -0.318 0.000 1.303 116 Y HN 0.544 nan 8.280 nan 0.000 0.460 117 N N -0.127 118.575 118.700 0.004 0.000 2.783 117 N HA -0.280 4.460 4.740 -0.000 0.000 0.247 117 N C -1.298 174.206 175.510 -0.010 0.000 1.089 117 N CA 0.775 53.808 53.050 -0.029 0.000 0.690 117 N CB -1.802 36.590 38.487 -0.160 0.000 0.991 117 N HN 0.885 nan 8.380 nan 0.000 0.552 118 Y N 0.017 120.262 120.300 -0.092 0.000 2.526 118 Y HA 0.333 4.883 4.550 -0.000 0.000 0.330 118 Y C 0.107 175.993 175.900 -0.022 0.000 1.156 118 Y CA -0.111 57.951 58.100 -0.063 0.000 1.419 118 Y CB 0.662 39.028 38.460 -0.158 0.000 1.250 118 Y HN -0.009 nan 8.280 nan 0.000 0.540 119 V N 7.941 127.814 119.914 -0.069 0.000 2.488 119 V HA 0.176 4.295 4.120 -0.000 0.000 0.293 119 V C -0.257 175.763 176.094 -0.125 0.000 1.027 119 V CA -1.352 60.950 62.300 0.003 0.000 0.862 119 V CB 1.303 33.116 31.823 -0.017 0.000 1.008 119 V HN 0.768 nan 8.190 nan 0.000 0.428 120 K N 3.891 124.315 120.400 0.040 0.000 2.397 120 K HA 0.275 4.595 4.320 -0.000 0.000 0.265 120 K C -0.287 176.261 176.600 -0.087 0.000 0.982 120 K CA 0.070 56.383 56.287 0.043 0.000 0.931 120 K CB 0.601 33.229 32.500 0.214 0.000 0.943 120 K HN 0.762 nan 8.250 nan 0.000 0.501 121 Q N 3.817 123.520 119.800 -0.162 0.000 2.487 121 Q HA 0.104 4.444 4.340 -0.000 0.000 0.234 121 Q C -1.640 174.162 176.000 -0.331 0.000 0.828 121 Q CA -0.471 55.021 55.803 -0.518 0.000 0.907 121 Q CB 0.426 28.669 28.738 -0.824 0.000 1.462 121 Q HN 0.878 nan 8.270 nan 0.000 0.442 122 W N 1.297 122.654 121.300 0.095 0.000 3.078 122 W HA -0.377 4.283 4.660 -0.000 0.000 0.309 122 W C 1.114 177.617 176.519 -0.028 0.000 0.391 122 W CA -0.162 57.233 57.345 0.083 0.000 0.459 122 W CB -0.727 28.734 29.460 0.002 0.000 2.855 122 W HN 0.719 nan 8.180 nan 0.000 0.416 123 R N -0.522 120.050 120.500 0.120 0.000 2.080 123 R HA -0.158 4.181 4.340 -0.000 0.000 0.236 123 R C 1.792 177.876 176.300 -0.360 0.000 1.137 123 R CA 2.511 58.466 56.100 -0.243 0.000 0.943 123 R CB -0.403 29.553 30.300 -0.573 0.000 0.846 123 R HN 0.511 nan 8.270 nan 0.000 0.431 124 H N -1.938 117.201 119.070 0.114 0.000 2.885 124 H HA 0.327 4.882 4.556 -0.000 0.000 0.260 124 H C 0.236 175.631 175.328 0.112 0.000 0.985 124 H CA -0.214 55.923 56.048 0.149 0.000 1.210 124 H CB 0.725 30.560 29.762 0.121 0.000 1.466 124 H HN -0.004 nan 8.280 nan 0.000 0.493 125 S N 1.103 116.728 115.700 -0.124 0.000 2.608 125 S HA 0.325 4.794 4.470 -0.000 0.000 0.261 125 S C -0.716 173.738 174.600 -0.244 0.000 1.314 125 S CA -0.176 57.578 58.200 -0.744 0.000 0.992 125 S CB 0.394 62.830 63.200 -1.273 0.000 0.935 125 S HN 0.537 nan 8.310 nan 0.000 0.564 126 Y N -2.768 117.275 120.300 -0.428 0.000 2.739 126 Y HA 0.376 4.926 4.550 -0.000 0.000 0.377 126 Y C -0.988 174.790 175.900 -0.202 0.000 1.209 126 Y CA -1.130 56.736 58.100 -0.391 0.000 1.448 126 Y CB -0.246 37.805 38.460 -0.682 0.000 1.428 126 Y HN 0.745 nan 8.280 nan 0.000 0.530 127 T N 0.850 115.351 114.554 -0.088 0.000 2.918 127 T HA 1.041 5.390 4.350 -0.000 0.000 0.286 127 T C -0.273 174.429 174.700 0.003 0.000 1.026 127 T CA -0.014 62.062 62.100 -0.040 0.000 1.031 127 T CB 1.791 70.646 68.868 -0.021 0.000 1.046 127 T HN 1.970 nan 8.240 nan 0.000 0.479 128 A N 1.358 124.175 122.820 -0.005 0.000 2.568 128 A HA 0.824 5.144 4.320 -0.000 0.000 0.291 128 A C -0.501 176.873 177.584 -0.350 0.000 1.159 128 A CA -0.992 50.933 52.037 -0.186 0.000 0.679 128 A CB 1.196 20.060 19.000 -0.228 0.000 1.285 128 A HN 0.872 nan 8.150 nan 0.000 0.428 129 S N -0.952 114.290 115.700 -0.763 0.000 2.638 129 S HA 0.840 5.309 4.470 -0.000 0.000 0.298 129 S C -1.516 172.402 174.600 -1.136 0.000 1.111 129 S CA -0.120 57.556 58.200 -0.872 0.000 1.027 129 S CB 0.813 63.248 63.200 -1.275 0.000 1.064 129 S HN 0.467 nan 8.310 nan 0.000 0.525 130 Y N -0.089 119.949 120.300 -0.437 0.000 2.562 130 Y HA 0.580 5.130 4.550 -0.000 0.000 0.345 130 Y C -0.079 175.811 175.900 -0.018 0.000 1.045 130 Y CA -0.748 57.225 58.100 -0.211 0.000 1.028 130 Y CB 2.180 40.472 38.460 -0.279 0.000 1.297 130 Y HN 0.553 nan 8.280 nan 0.000 0.463 131 S N 2.834 118.628 115.700 0.157 0.000 2.575 131 S HA 0.598 5.068 4.470 -0.000 0.000 0.278 131 S C -1.304 173.392 174.600 0.160 0.000 1.139 131 S CA -0.702 57.600 58.200 0.170 0.000 0.954 131 S CB 1.077 64.442 63.200 0.274 0.000 1.054 131 S HN 0.356 nan 8.310 nan 0.000 0.483 132 I N 3.025 123.685 120.570 0.151 0.000 2.365 132 I HA 0.312 4.482 4.170 -0.000 0.000 0.291 132 I C -0.530 175.772 176.117 0.308 0.000 1.004 132 I CA -0.520 60.907 61.300 0.211 0.000 1.311 132 I CB 0.368 38.419 38.000 0.085 0.000 1.401 132 I HN 0.721 nan 8.210 nan 0.000 0.491 133 Y N 4.981 125.440 120.300 0.265 0.000 2.328 133 Y HA 0.295 4.845 4.550 -0.000 0.000 0.337 133 Y C -0.020 176.020 175.900 0.234 0.000 0.966 133 Y CA -0.707 57.523 58.100 0.217 0.000 1.136 133 Y CB 0.981 39.548 38.460 0.179 0.000 1.170 133 Y HN 0.527 nan 8.280 nan 0.000 0.470 134 D N 6.833 126.996 120.400 -0.394 0.000 2.365 134 D HA 0.092 4.732 4.640 -0.000 0.000 0.237 134 D C 0.904 176.797 176.300 -0.678 0.000 1.190 134 D CA 0.328 54.106 54.000 -0.370 0.000 0.867 134 D CB 0.832 41.543 40.800 -0.148 0.000 1.050 134 D HN 0.879 nan 8.370 nan 0.000 0.491 135 L N 3.658 124.602 121.223 -0.465 0.000 2.017 135 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 135 L C 2.142 178.837 176.870 -0.290 0.000 1.073 135 L CA 0.911 55.580 54.840 -0.285 0.000 0.745 135 L CB -0.434 41.471 42.059 -0.257 0.000 0.894 135 L HN 0.391 nan 8.230 nan 0.000 0.432 136 N N 0.688 119.186 118.700 -0.337 0.000 2.039 136 N HA -0.243 4.497 4.740 -0.000 0.000 0.193 136 N C 1.737 177.132 175.510 -0.192 0.000 1.044 136 N CA 1.467 54.373 53.050 -0.240 0.000 0.847 136 N CB -0.048 38.291 38.487 -0.248 0.000 1.030 136 N HN -0.022 nan 8.380 nan 0.000 0.422 137 K N 0.837 121.116 120.400 -0.203 0.000 2.515 137 K HA 0.091 4.410 4.320 -0.000 0.000 0.196 137 K C -0.300 176.202 176.600 -0.163 0.000 1.038 137 K CA 0.326 56.527 56.287 -0.143 0.000 0.967 137 K CB 0.003 32.450 32.500 -0.089 0.000 0.780 137 K HN 0.169 nan 8.250 nan 0.000 0.483 138 R N 0.493 120.847 120.500 -0.244 0.000 3.333 138 R HA -0.228 4.112 4.340 -0.000 0.000 0.256 138 R C -1.090 175.093 176.300 -0.194 0.000 1.010 138 R CA 1.170 57.153 56.100 -0.196 0.000 0.680 138 R CB -1.845 28.426 30.300 -0.049 0.000 1.102 138 R HN 0.594 nan 8.270 nan 0.000 0.440 139 Q N -1.553 117.963 119.800 -0.474 0.000 2.776 139 Q HA 0.450 4.790 4.340 -0.000 0.000 0.289 139 Q C -1.036 174.841 176.000 -0.206 0.000 0.912 139 Q CA -1.087 54.606 55.803 -0.184 0.000 0.789 139 Q CB 0.754 29.468 28.738 -0.040 0.000 1.498 139 Q HN 0.098 nan 8.270 nan 0.000 0.408 140 L N 1.839 123.120 121.223 0.097 0.000 2.418 140 L HA 0.333 4.673 4.340 -0.000 0.000 0.274 140 L C -0.174 176.754 176.870 0.097 0.000 1.135 140 L CA -0.408 54.536 54.840 0.173 0.000 0.870 140 L CB 0.165 42.363 42.059 0.233 0.000 1.154 140 L HN 0.590 nan 8.230 nan 0.000 0.462 141 I N 3.032 123.654 120.570 0.087 0.000 2.598 141 I HA -0.075 4.095 4.170 -0.000 0.000 0.284 141 I C 1.241 177.394 176.117 0.061 0.000 1.140 141 I CA 0.538 61.872 61.300 0.057 0.000 1.420 141 I CB 0.993 38.943 38.000 -0.085 0.000 1.387 141 I HN 0.653 nan 8.210 nan 0.000 0.553 142 T N 3.463 118.056 114.554 0.065 0.000 3.040 142 T HA 0.126 4.476 4.350 -0.000 0.000 0.266 142 T C 1.038 175.754 174.700 0.028 0.000 1.005 142 T CA 0.087 62.214 62.100 0.045 0.000 0.906 142 T CB 0.149 69.041 68.868 0.040 0.000 1.082 142 T HN 0.586 nan 8.240 nan 0.000 0.531 143 E N 1.526 121.751 120.200 0.042 0.000 2.007 143 E HA 0.105 4.455 4.350 -0.000 0.000 0.204 143 E C 0.654 177.248 176.600 -0.009 0.000 0.933 143 E CA 0.585 57.001 56.400 0.028 0.000 0.924 143 E CB -0.048 29.691 29.700 0.065 0.000 0.868 143 E HN 0.215 nan 8.360 nan 0.000 0.535 144 E N 2.334 122.525 120.200 -0.014 0.000 1.858 144 E HA 0.040 4.389 4.350 -0.000 0.000 0.278 144 E C -0.549 175.995 176.600 -0.093 0.000 1.172 144 E CA 0.179 56.547 56.400 -0.054 0.000 1.127 144 E CB -0.400 29.274 29.700 -0.042 0.000 1.084 144 E HN 0.170 nan 8.360 nan 0.000 0.455 145 K N 0.858 121.197 120.400 -0.103 0.000 2.188 145 K HA 0.226 4.546 4.320 -0.000 0.000 0.246 145 K C 0.755 177.209 176.600 -0.242 0.000 1.026 145 K CA -0.168 56.038 56.287 -0.134 0.000 0.871 145 K CB 0.739 33.178 32.500 -0.101 0.000 1.042 145 K HN 0.357 nan 8.250 nan 0.000 0.509 146 I N 2.358 122.745 120.570 -0.305 0.000 2.377 146 I HA 0.270 4.440 4.170 -0.000 0.000 0.293 146 I C -2.122 173.673 176.117 -0.536 0.000 0.987 146 I CA -2.641 58.329 61.300 -0.550 0.000 1.185 146 I CB 1.479 39.097 38.000 -0.636 0.000 1.341 146 I HN 0.453 nan 8.210 nan 0.000 0.455 147 P HA -0.145 nan 4.420 nan 0.000 0.264 147 P C -0.553 176.486 177.300 -0.436 0.000 1.156 147 P CA 0.577 63.190 63.100 -0.811 0.000 0.756 147 P CB 0.278 31.008 31.700 -1.616 0.000 0.764 148 N N 2.091 120.635 118.700 -0.259 0.000 2.416 148 N HA -0.003 4.736 4.740 -0.000 0.000 0.215 148 N C 0.326 175.825 175.510 -0.019 0.000 1.208 148 N CA -0.122 52.854 53.050 -0.123 0.000 0.834 148 N CB -0.149 38.296 38.487 -0.070 0.000 1.072 148 N HN 0.329 nan 8.380 nan 0.000 0.472 149 N N 0.044 118.801 118.700 0.095 0.000 2.423 149 N HA 0.002 4.742 4.740 -0.000 0.000 0.262 149 N C -1.148 174.535 175.510 0.288 0.000 1.467 149 N CA 0.007 53.170 53.050 0.189 0.000 0.847 149 N CB 0.719 39.359 38.487 0.254 0.000 1.394 149 N HN -0.025 nan 8.380 nan 0.000 0.495 150 T N 1.012 115.702 114.554 0.227 0.000 2.934 150 T HA 0.006 4.356 4.350 -0.000 0.000 0.306 150 T C 1.620 176.422 174.700 0.169 0.000 1.042 150 T CA 0.611 62.848 62.100 0.229 0.000 1.145 150 T CB 1.159 70.034 68.868 0.011 0.000 0.982 150 T HN 0.210 nan 8.240 nan 0.000 0.544 151 Q N 1.494 121.396 119.800 0.170 0.000 2.339 151 Q HA 0.158 4.498 4.340 -0.000 0.000 0.205 151 Q C 0.255 176.362 176.000 0.178 0.000 0.925 151 Q CA 0.300 56.205 55.803 0.168 0.000 0.898 151 Q CB 0.856 29.684 28.738 0.150 0.000 1.013 151 Q HN 0.750 nan 8.270 nan 0.000 0.504 152 W N -0.045 121.175 121.300 -0.133 0.000 3.464 152 W HA 0.551 5.211 4.660 -0.000 0.000 0.292 152 W C -2.422 173.985 176.519 -0.187 0.000 1.262 152 W CA -0.715 56.509 57.345 -0.202 0.000 1.202 152 W CB 1.089 30.369 29.460 -0.300 0.000 1.334 152 W HN -0.072 nan 8.180 nan 0.000 0.561 153 I N 3.949 123.635 120.570 -1.474 0.000 2.918 153 I HA 0.660 4.830 4.170 -0.000 0.000 0.301 153 I C -1.642 173.781 176.117 -1.156 0.000 1.312 153 I CA -0.135 60.525 61.300 -1.067 0.000 1.007 153 I CB 2.599 39.981 38.000 -1.030 0.000 1.281 153 I HN 0.385 nan 8.210 nan 0.000 0.440 154 T N 4.092 118.298 114.554 -0.581 0.000 3.047 154 T HA 0.365 4.714 4.350 -0.000 0.000 0.340 154 T C -1.676 172.968 174.700 -0.093 0.000 1.421 154 T CA -0.321 61.605 62.100 -0.290 0.000 1.090 154 T CB 0.512 69.421 68.868 0.069 0.000 1.292 154 T HN 0.549 nan 8.240 nan 0.000 0.480 155 W N 3.060 124.350 121.300 -0.016 0.000 2.093 155 W HA 0.452 5.112 4.660 -0.000 0.000 0.352 155 W C 1.470 177.827 176.519 -0.269 0.000 1.294 155 W CA -0.348 56.936 57.345 -0.101 0.000 1.290 155 W CB 0.572 29.997 29.460 -0.057 0.000 1.149 155 W HN 0.840 nan 8.180 nan 0.000 0.606 156 S N 0.182 115.661 115.700 -0.368 0.000 2.626 156 S HA 0.026 4.496 4.470 -0.000 0.000 0.257 156 S C 0.702 175.144 174.600 -0.262 0.000 1.288 156 S CA -0.376 57.211 58.200 -1.022 0.000 0.980 156 S CB 0.644 63.092 63.200 -1.255 0.000 0.975 156 S HN 0.683 nan 8.310 nan 0.000 0.577 157 Q N 0.376 120.085 119.800 -0.152 0.000 2.311 157 Q HA -0.075 4.265 4.340 -0.000 0.000 0.203 157 Q C 1.724 177.708 176.000 -0.027 0.000 0.954 157 Q CA 1.436 57.245 55.803 0.010 0.000 0.885 157 Q CB 0.001 28.780 28.738 0.069 0.000 0.963 157 Q HN 0.932 nan 8.270 nan 0.000 0.471 158 E N -1.563 118.572 120.200 -0.108 0.000 2.592 158 E HA 0.166 4.516 4.350 -0.000 0.000 0.184 158 E C 1.459 177.987 176.600 -0.120 0.000 1.056 158 E CA 0.310 56.656 56.400 -0.090 0.000 1.151 158 E CB -0.536 29.113 29.700 -0.086 0.000 1.435 158 E HN 0.081 nan 8.360 nan 0.000 0.496 159 G N 1.029 109.709 108.800 -0.201 0.000 2.937 159 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.160 159 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.160 159 G C 0.541 175.327 174.900 -0.190 0.000 1.863 159 G CA 0.637 45.587 45.100 -0.249 0.000 0.941 159 G HN 0.599 nan 8.290 nan 0.000 0.419 160 H N -0.756 118.285 119.070 -0.049 0.000 2.767 160 H HA 0.438 4.993 4.556 -0.000 0.000 0.235 160 H C -0.263 175.182 175.328 0.195 0.000 1.256 160 H CA -0.458 55.598 56.048 0.013 0.000 0.957 160 H CB -0.177 29.583 29.762 -0.004 0.000 2.117 160 H HN 0.162 nan 8.280 nan 0.000 0.602 161 K N 1.623 121.998 120.400 -0.041 0.000 2.118 161 K HA 0.551 4.871 4.320 -0.000 0.000 0.264 161 K C -0.435 176.136 176.600 -0.047 0.000 1.000 161 K CA -0.469 55.732 56.287 -0.143 0.000 0.929 161 K CB 1.764 33.927 32.500 -0.562 0.000 1.021 161 K HN 0.137 nan 8.250 nan 0.000 0.463 162 L N 1.146 122.390 121.223 0.035 0.000 2.354 162 L HA 0.683 5.023 4.340 -0.000 0.000 0.264 162 L C -0.972 176.096 176.870 0.331 0.000 1.008 162 L CA -0.968 53.887 54.840 0.024 0.000 0.819 162 L CB 2.181 44.109 42.059 -0.220 0.000 1.339 162 L HN 0.684 nan 8.230 nan 0.000 0.420 163 A N 2.116 125.122 122.820 0.310 0.000 2.408 163 A HA 0.762 5.082 4.320 -0.000 0.000 0.295 163 A C -1.654 175.955 177.584 0.042 0.000 1.040 163 A CA -0.386 51.751 52.037 0.165 0.000 0.707 163 A CB 1.125 20.177 19.000 0.088 0.000 1.235 163 A HN 0.636 nan 8.150 nan 0.000 0.418 164 Y N -0.213 120.046 120.300 -0.069 0.000 2.581 164 Y HA 0.807 5.357 4.550 -0.000 0.000 0.345 164 Y C -1.152 174.766 175.900 0.029 0.000 1.036 164 Y CA -1.649 56.374 58.100 -0.128 0.000 1.042 164 Y CB 1.220 39.527 38.460 -0.255 0.000 1.289 164 Y HN 0.380 nan 8.280 nan 0.000 0.471 165 V N 2.360 122.408 119.914 0.225 0.000 2.459 165 V HA 0.369 4.489 4.120 -0.000 0.000 0.295 165 V C -1.462 174.860 176.094 0.379 0.000 1.029 165 V CA -0.560 61.858 62.300 0.196 0.000 0.874 165 V CB 1.333 33.186 31.823 0.049 0.000 0.985 165 V HN 0.870 nan 8.190 nan 0.000 0.438 166 W N 5.796 127.215 121.300 0.199 0.000 3.211 166 W HA 0.540 5.200 4.660 -0.000 0.000 0.335 166 W C 0.147 176.741 176.519 0.125 0.000 1.113 166 W CA -1.024 56.406 57.345 0.143 0.000 1.235 166 W CB 1.251 30.779 29.460 0.112 0.000 1.365 166 W HN 0.538 nan 8.180 nan 0.000 0.476 167 K N 5.174 125.221 120.400 -0.588 0.000 3.117 167 K HA -0.309 4.011 4.320 -0.000 0.000 0.269 167 K C 0.232 176.664 176.600 -0.280 0.000 1.098 167 K CA 1.440 57.370 56.287 -0.595 0.000 0.785 167 K CB -1.734 30.217 32.500 -0.915 0.000 1.242 167 K HN 0.907 nan 8.250 nan 0.000 0.491 168 N N -0.484 118.105 118.700 -0.184 0.000 2.828 168 N HA -0.161 4.578 4.740 -0.000 0.000 0.248 168 N C -0.619 174.819 175.510 -0.120 0.000 1.044 168 N CA 1.811 54.766 53.050 -0.159 0.000 0.851 168 N CB -0.426 37.902 38.487 -0.265 0.000 1.136 168 N HN 0.488 nan 8.380 nan 0.000 0.572 169 D N -0.222 120.137 120.400 -0.068 0.000 2.340 169 D HA 0.500 5.140 4.640 -0.000 0.000 0.240 169 D C 0.501 176.675 176.300 -0.209 0.000 1.001 169 D CA -0.446 53.450 54.000 -0.172 0.000 0.888 169 D CB 1.373 42.048 40.800 -0.208 0.000 1.310 169 D HN -0.015 nan 8.370 nan 0.000 0.474 170 I N 1.345 121.630 120.570 -0.474 0.000 2.428 170 I HA 0.279 4.448 4.170 -0.000 0.000 0.296 170 I C -0.756 174.916 176.117 -0.741 0.000 0.985 170 I CA -0.512 60.489 61.300 -0.499 0.000 1.260 170 I CB 0.708 38.331 38.000 -0.628 0.000 1.389 170 I HN 0.179 nan 8.210 nan 0.000 0.484 171 Y N 3.552 123.501 120.300 -0.586 0.000 2.492 171 Y HA 0.602 5.152 4.550 -0.000 0.000 0.346 171 Y C -0.385 175.191 175.900 -0.539 0.000 0.997 171 Y CA -0.851 56.866 58.100 -0.639 0.000 1.025 171 Y CB 2.078 39.890 38.460 -1.081 0.000 1.263 171 Y HN 0.115 nan 8.280 nan 0.000 0.454 172 V N 3.008 122.869 119.914 -0.088 0.000 2.769 172 V HA 0.541 4.661 4.120 -0.000 0.000 0.312 172 V C -0.919 175.279 176.094 0.173 0.000 1.061 172 V CA -1.370 60.970 62.300 0.066 0.000 0.931 172 V CB 2.210 34.093 31.823 0.101 0.000 1.010 172 V HN 0.615 nan 8.190 nan 0.000 0.433 173 K N 4.083 124.600 120.400 0.196 0.000 2.640 173 K HA 0.399 4.719 4.320 -0.000 0.000 0.245 173 K C 0.059 176.748 176.600 0.148 0.000 0.962 173 K CA -0.573 55.815 56.287 0.168 0.000 0.896 173 K CB 2.068 34.630 32.500 0.104 0.000 1.147 173 K HN 0.404 nan 8.250 nan 0.000 0.445 174 I N 1.076 121.744 120.570 0.164 0.000 2.423 174 I HA -0.218 3.952 4.170 -0.000 0.000 0.254 174 I C 0.712 176.897 176.117 0.114 0.000 1.151 174 I CA 1.453 62.818 61.300 0.107 0.000 1.421 174 I CB -0.113 37.947 38.000 0.100 0.000 1.079 174 I HN 0.612 nan 8.210 nan 0.000 0.431 175 E N -1.239 119.037 120.200 0.127 0.000 2.331 175 E HA 0.318 4.668 4.350 -0.000 0.000 0.275 175 E C -2.211 174.373 176.600 -0.026 0.000 0.895 175 E CA -1.906 54.572 56.400 0.130 0.000 0.753 175 E CB 1.868 31.668 29.700 0.166 0.000 1.216 175 E HN -0.291 nan 8.360 nan 0.000 0.434 176 P HA -0.127 nan 4.420 nan 0.000 0.219 176 P C 0.467 177.582 177.300 -0.308 0.000 1.146 176 P CA 1.130 64.004 63.100 -0.377 0.000 0.808 176 P CB 0.147 31.380 31.700 -0.778 0.000 0.779 177 H N -1.576 117.457 119.070 -0.062 0.000 2.482 177 H HA 0.132 4.688 4.556 -0.000 0.000 0.286 177 H C 1.109 176.433 175.328 -0.008 0.000 1.017 177 H CA 0.436 56.477 56.048 -0.012 0.000 1.322 177 H CB -0.294 29.479 29.762 0.018 0.000 1.426 177 H HN 0.165 nan 8.280 nan 0.000 0.546 178 L N 2.742 124.028 121.223 0.105 0.000 2.466 178 L HA 0.191 4.531 4.340 -0.000 0.000 0.257 178 L C -1.862 175.016 176.870 0.014 0.000 1.189 178 L CA -1.888 52.994 54.840 0.070 0.000 0.813 178 L CB 0.244 42.362 42.059 0.097 0.000 1.118 178 L HN -0.038 nan 8.230 nan 0.000 0.471 179 P HA 0.070 nan 4.420 nan 0.000 0.275 179 P C -0.728 176.482 177.300 -0.150 0.000 1.228 179 P CA -0.446 62.599 63.100 -0.092 0.000 0.786 179 P CB 1.183 32.812 31.700 -0.119 0.000 0.927 180 S N 2.285 117.927 115.700 -0.096 0.000 2.585 180 S HA 0.174 4.644 4.470 -0.000 0.000 0.273 180 S C -0.019 174.486 174.600 -0.158 0.000 1.339 180 S CA -0.371 57.813 58.200 -0.026 0.000 1.028 180 S CB -0.020 63.247 63.200 0.111 0.000 0.906 180 S HN 0.451 nan 8.310 nan 0.000 0.528 181 H N 1.519 120.635 119.070 0.076 0.000 2.551 181 H HA 0.332 4.888 4.556 -0.000 0.000 0.321 181 H C 0.082 175.387 175.328 -0.039 0.000 1.028 181 H CA -0.482 55.584 56.048 0.029 0.000 1.215 181 H CB 1.071 30.832 29.762 -0.001 0.000 1.414 181 H HN 0.664 nan 8.280 nan 0.000 0.480 182 R N 3.659 124.170 120.500 0.018 0.000 2.370 182 R HA 0.039 4.379 4.340 -0.000 0.000 0.309 182 R C 0.651 176.765 176.300 -0.311 0.000 1.059 182 R CA -0.224 55.673 56.100 -0.338 0.000 0.981 182 R CB 0.228 30.383 30.300 -0.241 0.000 0.972 182 R HN 0.523 nan 8.270 nan 0.000 0.437 183 I N 2.421 122.715 120.570 -0.460 0.000 2.867 183 I HA -0.023 4.147 4.170 -0.000 0.000 0.265 183 I C 1.096 176.986 176.117 -0.379 0.000 1.162 183 I CA 0.944 62.026 61.300 -0.364 0.000 1.471 183 I CB -0.647 37.097 38.000 -0.427 0.000 1.123 183 I HN 0.672 nan 8.210 nan 0.000 0.440 184 T N -1.715 112.561 114.554 -0.464 0.000 2.901 184 T HA 0.544 4.894 4.350 -0.000 0.000 0.293 184 T C 0.182 174.696 174.700 -0.310 0.000 1.084 184 T CA -0.158 61.721 62.100 -0.367 0.000 1.008 184 T CB 2.328 70.956 68.868 -0.400 0.000 1.170 184 T HN 0.082 nan 8.240 nan 0.000 0.509 185 S N -1.511 114.064 115.700 -0.208 0.000 3.101 185 S HA 0.157 4.627 4.470 -0.000 0.000 0.252 185 S C 1.055 175.591 174.600 -0.106 0.000 0.920 185 S CA 0.210 58.323 58.200 -0.146 0.000 1.158 185 S CB -0.556 62.580 63.200 -0.107 0.000 1.125 185 S HN 1.041 nan 8.310 nan 0.000 0.608 186 T N -1.304 113.183 114.554 -0.112 0.000 3.060 186 T HA 0.364 4.714 4.350 -0.000 0.000 0.249 186 T C 1.142 175.799 174.700 -0.071 0.000 1.079 186 T CA 0.335 62.391 62.100 -0.074 0.000 1.013 186 T CB -0.233 68.601 68.868 -0.056 0.000 0.975 186 T HN 0.548 nan 8.240 nan 0.000 0.518 187 G N 1.318 110.056 108.800 -0.103 0.000 2.321 187 G HA2 0.360 4.320 3.960 -0.000 0.000 0.237 187 G HA3 0.360 4.320 3.960 -0.000 0.000 0.237 187 G C -0.617 174.201 174.900 -0.136 0.000 1.282 187 G CA -0.365 44.660 45.100 -0.124 0.000 0.886 187 G HN 0.565 nan 8.290 nan 0.000 0.528 188 K N 1.901 122.199 120.400 -0.170 0.000 2.589 188 K HA 0.178 4.498 4.320 -0.000 0.000 0.253 188 K C -0.269 176.193 176.600 -0.231 0.000 0.974 188 K CA -0.699 55.492 56.287 -0.161 0.000 0.835 188 K CB 1.552 34.000 32.500 -0.087 0.000 1.272 188 K HN 0.652 nan 8.250 nan 0.000 0.444 189 E N 3.730 123.798 120.200 -0.220 0.000 2.765 189 E HA -0.162 4.188 4.350 -0.000 0.000 0.256 189 E C -0.354 176.171 176.600 -0.125 0.000 0.935 189 E CA 0.810 57.081 56.400 -0.215 0.000 0.954 189 E CB 0.118 29.736 29.700 -0.137 0.000 0.908 189 E HN 0.652 nan 8.360 nan 0.000 0.500 190 N N 2.019 120.649 118.700 -0.116 0.000 2.741 190 N HA -0.194 4.546 4.740 -0.000 0.000 0.251 190 N C -0.286 175.383 175.510 0.264 0.000 1.112 190 N CA 1.106 54.279 53.050 0.206 0.000 0.750 190 N CB -1.167 37.451 38.487 0.218 0.000 1.119 190 N HN 0.322 nan 8.380 nan 0.000 0.561 191 V N -1.748 118.246 119.914 0.134 0.000 3.629 191 V HA 0.281 4.400 4.120 -0.000 0.000 0.194 191 V C 0.377 176.644 176.094 0.289 0.000 1.343 191 V CA 0.253 62.681 62.300 0.214 0.000 1.292 191 V CB 0.681 32.558 31.823 0.091 0.000 1.287 191 V HN 0.028 nan 8.190 nan 0.000 0.554 192 I N 1.666 122.288 120.570 0.087 0.000 2.362 192 I HA 0.497 4.667 4.170 -0.000 0.000 0.289 192 I C -1.418 174.735 176.117 0.061 0.000 0.994 192 I CA -0.266 61.135 61.300 0.169 0.000 1.158 192 I CB 0.969 39.011 38.000 0.070 0.000 1.315 192 I HN 0.116 nan 8.210 nan 0.000 0.451 193 F N 4.920 124.963 119.950 0.155 0.000 2.426 193 F HA 0.426 4.953 4.527 -0.000 0.000 0.348 193 F C 0.568 176.447 175.800 0.132 0.000 1.124 193 F CA -0.720 57.379 58.000 0.165 0.000 1.008 193 F CB 1.064 40.236 39.000 0.287 0.000 1.139 193 F HN 0.317 nan 8.300 nan 0.000 0.452 194 N N 2.254 121.047 118.700 0.154 0.000 2.476 194 N HA 0.387 5.127 4.740 -0.000 0.000 0.257 194 N C 0.805 176.287 175.510 -0.048 0.000 0.970 194 N CA 0.211 53.283 53.050 0.036 0.000 0.938 194 N CB 1.820 40.222 38.487 -0.141 0.000 1.144 194 N HN 0.895 nan 8.380 nan 0.000 0.500 195 G N 1.673 110.482 108.800 0.014 0.000 2.176 195 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.253 195 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.253 195 G C 0.089 174.873 174.900 -0.193 0.000 0.979 195 G CA 0.591 45.619 45.100 -0.119 0.000 0.641 195 G HN 0.640 nan 8.290 nan 0.000 0.530 196 I N -3.359 117.176 120.570 -0.058 0.000 2.865 196 I HA 0.611 4.781 4.170 -0.000 0.000 0.302 196 I C -0.649 175.524 176.117 0.093 0.000 1.140 196 I CA -1.556 59.606 61.300 -0.230 0.000 1.021 196 I CB 1.716 39.406 38.000 -0.518 0.000 1.233 196 I HN -0.131 nan 8.210 nan 0.000 0.427 197 N N 3.253 121.944 118.700 -0.014 0.000 2.515 197 N HA 0.172 4.912 4.740 -0.000 0.000 0.279 197 N C -0.866 174.490 175.510 -0.256 0.000 1.164 197 N CA -0.294 52.605 53.050 -0.253 0.000 0.982 197 N CB 1.040 39.484 38.487 -0.073 0.000 1.170 197 N HN 0.760 nan 8.380 nan 0.000 0.474 198 D N -0.563 119.373 120.400 -0.774 0.000 2.433 198 D HA -0.050 4.590 4.640 -0.000 0.000 0.255 198 D C 1.127 177.338 176.300 -0.147 0.000 1.226 198 D CA -0.517 52.982 54.000 -0.835 0.000 1.015 198 D CB 0.626 40.801 40.800 -1.043 0.000 1.091 198 D HN 0.532 nan 8.370 nan 0.000 0.527 199 W N 0.652 121.905 121.300 -0.078 0.000 2.302 199 W HA -0.273 4.387 4.660 -0.000 0.000 0.320 199 W C 2.214 178.648 176.519 -0.142 0.000 1.241 199 W CA 2.639 59.949 57.345 -0.059 0.000 1.264 199 W CB -0.539 28.824 29.460 -0.163 0.000 1.154 199 W HN 0.220 nan 8.180 nan 0.000 0.483 200 V N -0.245 119.751 119.914 0.137 0.000 2.358 200 V HA -0.300 3.820 4.120 -0.000 0.000 0.246 200 V C 1.953 177.869 176.094 -0.296 0.000 1.047 200 V CA 2.113 64.361 62.300 -0.087 0.000 1.035 200 V CB -0.820 30.990 31.823 -0.022 0.000 0.658 200 V HN 0.305 nan 8.190 nan 0.000 0.452 201 Y N 0.639 120.747 120.300 -0.319 0.000 2.224 201 Y HA -0.191 4.359 4.550 -0.000 0.000 0.289 201 Y C 2.633 178.401 175.900 -0.220 0.000 1.146 201 Y CA 2.207 60.112 58.100 -0.326 0.000 1.182 201 Y CB -0.087 38.061 38.460 -0.519 0.000 0.983 201 Y HN 0.374 nan 8.280 nan 0.000 0.524 202 E N 0.208 120.358 120.200 -0.085 0.000 2.028 202 E HA -0.269 4.081 4.350 -0.000 0.000 0.191 202 E C 2.045 178.574 176.600 -0.118 0.000 0.988 202 E CA 1.469 57.854 56.400 -0.025 0.000 0.799 202 E CB -0.003 29.698 29.700 0.002 0.000 0.755 202 E HN 0.387 nan 8.360 nan 0.000 0.447 203 E N 0.456 120.400 120.200 -0.427 0.000 2.047 203 E HA -0.166 4.184 4.350 -0.000 0.000 0.191 203 E C 1.698 178.140 176.600 -0.264 0.000 0.987 203 E CA 1.559 57.690 56.400 -0.449 0.000 0.799 203 E CB 0.092 29.154 29.700 -1.064 0.000 0.752 203 E HN 0.191 nan 8.360 nan 0.000 0.449 204 E N -0.689 119.322 120.200 -0.314 0.000 2.431 204 E HA 0.087 4.437 4.350 -0.000 0.000 0.200 204 E C 1.589 178.005 176.600 -0.308 0.000 0.995 204 E CA 0.123 56.383 56.400 -0.232 0.000 0.915 204 E CB 0.632 30.195 29.700 -0.229 0.000 0.930 204 E HN 0.337 nan 8.360 nan 0.000 0.496 205 I N -0.928 119.396 120.570 -0.410 0.000 3.341 205 I HA 0.056 4.226 4.170 -0.000 0.000 0.243 205 I C 1.848 177.699 176.117 -0.442 0.000 1.094 205 I CA 0.579 61.539 61.300 -0.567 0.000 1.507 205 I CB -1.016 36.414 38.000 -0.949 0.000 1.441 205 I HN -0.053 nan 8.210 nan 0.000 0.465 206 F N 1.444 121.369 119.950 -0.042 0.000 2.569 206 F HA 0.247 4.774 4.527 -0.000 0.000 0.295 206 F C 1.813 177.559 175.800 -0.090 0.000 1.115 206 F CA 0.677 58.673 58.000 -0.007 0.000 1.450 206 F CB -0.207 38.833 39.000 0.066 0.000 1.107 206 F HN 0.339 nan 8.300 nan 0.000 0.563 207 G N 1.136 109.939 108.800 0.005 0.000 2.225 207 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.267 207 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.267 207 G C -0.052 174.486 174.900 -0.603 0.000 1.024 207 G CA 0.183 45.169 45.100 -0.189 0.000 0.784 207 G HN 0.774 nan 8.290 nan 0.000 0.507 208 A N -2.223 120.449 122.820 -0.247 0.000 2.599 208 A HA 0.720 5.039 4.320 -0.000 0.000 0.290 208 A C 0.075 177.655 177.584 -0.007 0.000 1.101 208 A CA 0.273 52.169 52.037 -0.235 0.000 0.674 208 A CB 0.416 19.295 19.000 -0.202 0.000 1.277 208 A HN 0.925 nan 8.150 nan 0.000 0.419 209 Y N 0.970 121.132 120.300 -0.229 0.000 2.365 209 Y HA 0.192 4.742 4.550 -0.000 0.000 0.293 209 Y C 1.597 177.196 175.900 -0.502 0.000 1.119 209 Y CA 0.986 58.940 58.100 -0.243 0.000 1.203 209 Y CB -0.123 38.238 38.460 -0.165 0.000 1.026 209 Y HN 0.639 nan 8.280 nan 0.000 0.549 210 S N 0.245 115.384 115.700 -0.935 0.000 2.568 210 S HA 0.419 4.889 4.470 -0.000 0.000 0.282 210 S C 0.358 174.426 174.600 -0.887 0.000 1.338 210 S CA 0.300 57.700 58.200 -1.334 0.000 1.045 210 S CB 0.452 62.587 63.200 -1.776 0.000 0.873 210 S HN 0.440 nan 8.310 nan 0.000 0.516 211 A N 4.922 127.208 122.820 -0.891 0.000 2.709 211 A HA 0.469 4.789 4.320 -0.000 0.000 0.241 211 A C -0.587 176.316 177.584 -1.134 0.000 0.879 211 A CA -0.461 51.024 52.037 -0.920 0.000 1.120 211 A CB 0.007 18.904 19.000 -0.171 0.000 1.226 211 A HN 0.662 nan 8.150 nan 0.000 0.468 212 L N 0.110 120.545 121.223 -1.312 0.000 2.354 212 L HA 0.668 5.008 4.340 -0.000 0.000 0.269 212 L C -1.100 175.208 176.870 -0.937 0.000 1.005 212 L CA -0.665 53.704 54.840 -0.784 0.000 0.819 212 L CB 1.980 43.838 42.059 -0.335 0.000 1.311 212 L HN 0.419 nan 8.230 nan 0.000 0.423 213 W N 1.851 123.192 121.300 0.067 0.000 2.835 213 W HA 0.200 4.860 4.660 -0.000 0.000 0.326 213 W C -1.317 175.416 176.519 0.357 0.000 1.024 213 W CA -1.050 56.459 57.345 0.273 0.000 1.267 213 W CB 1.220 30.883 29.460 0.339 0.000 1.267 213 W HN 0.487 nan 8.180 nan 0.000 0.412 214 W N 2.691 124.211 121.300 0.366 0.000 2.216 214 W HA 0.260 4.920 4.660 -0.000 0.000 0.326 214 W C 1.312 177.671 176.519 -0.268 0.000 1.319 214 W CA 0.444 57.859 57.345 0.116 0.000 1.213 214 W CB 0.917 30.415 29.460 0.063 0.000 1.171 214 W HN 0.164 nan 8.180 nan 0.000 0.557 215 S N 3.340 118.733 115.700 -0.511 0.000 2.624 215 S HA 0.492 4.962 4.470 -0.000 0.000 0.263 215 S C -2.418 171.897 174.600 -0.476 0.000 1.287 215 S CA -1.409 55.857 58.200 -1.557 0.000 0.990 215 S CB 0.888 63.102 63.200 -1.644 0.000 0.950 215 S HN 0.153 nan 8.310 nan 0.000 0.561 216 P HA 0.330 nan 4.420 nan 0.000 0.274 216 P C -0.101 177.148 177.300 -0.086 0.000 1.237 216 P CA -0.176 62.873 63.100 -0.085 0.000 0.793 216 P CB 0.121 31.824 31.700 0.004 0.000 0.977 217 N N 0.206 118.872 118.700 -0.056 0.000 2.828 217 N HA -0.183 4.557 4.740 -0.000 0.000 0.248 217 N C 0.835 176.291 175.510 -0.091 0.000 1.044 217 N CA 1.507 54.518 53.050 -0.064 0.000 0.851 217 N CB -1.961 36.503 38.487 -0.039 0.000 1.136 217 N HN 0.890 nan 8.380 nan 0.000 0.572 218 G N -0.684 108.068 108.800 -0.080 0.000 2.402 218 G HA2 -0.406 3.553 3.960 -0.000 0.000 0.300 218 G HA3 -0.406 3.553 3.960 -0.000 0.000 0.300 218 G C 1.096 176.023 174.900 0.045 0.000 0.987 218 G CA 1.678 46.778 45.100 -0.000 0.000 0.881 218 G HN 0.499 nan 8.290 nan 0.000 0.512 219 T N -0.691 113.806 114.554 -0.095 0.000 2.770 219 T HA 0.219 4.569 4.350 -0.000 0.000 0.258 219 T C 0.973 175.470 174.700 -0.338 0.000 1.039 219 T CA 1.037 62.952 62.100 -0.308 0.000 1.143 219 T CB -0.021 68.484 68.868 -0.604 0.000 0.866 219 T HN 0.313 nan 8.240 nan 0.000 0.428 220 F N 0.281 120.247 119.950 0.027 0.000 2.450 220 F HA 0.654 5.181 4.527 -0.000 0.000 0.328 220 F C -0.273 175.546 175.800 0.032 0.000 1.068 220 F CA -1.418 56.622 58.000 0.067 0.000 1.007 220 F CB 1.052 40.163 39.000 0.185 0.000 1.251 220 F HN -0.095 nan 8.300 nan 0.000 0.492 221 L N 2.022 123.366 121.223 0.202 0.000 2.441 221 L HA 0.783 5.123 4.340 -0.000 0.000 0.270 221 L C -0.863 176.084 176.870 0.128 0.000 0.973 221 L CA -0.489 54.286 54.840 -0.108 0.000 0.842 221 L CB 0.944 42.662 42.059 -0.569 0.000 1.239 221 L HN 0.668 nan 8.230 nan 0.000 0.406 222 A N 4.460 127.440 122.820 0.266 0.000 2.306 222 A HA 0.864 5.183 4.320 -0.000 0.000 0.330 222 A C -1.436 176.225 177.584 0.129 0.000 1.146 222 A CA -0.216 51.852 52.037 0.053 0.000 0.827 222 A CB 0.772 19.829 19.000 0.096 0.000 1.178 222 A HN 1.006 nan 8.150 nan 0.000 0.490 223 Y N -2.171 117.917 120.300 -0.353 0.000 2.641 223 Y HA 0.721 5.270 4.550 -0.000 0.000 0.333 223 Y C -0.401 175.362 175.900 -0.228 0.000 1.174 223 Y CA -0.848 57.159 58.100 -0.156 0.000 1.057 223 Y CB 0.725 39.065 38.460 -0.200 0.000 1.322 223 Y HN 0.968 nan 8.280 nan 0.000 0.457 224 A N 2.122 125.022 122.820 0.133 0.000 2.306 224 A HA 0.704 5.024 4.320 -0.000 0.000 0.330 224 A C -1.121 176.364 177.584 -0.165 0.000 1.146 224 A CA -0.815 51.169 52.037 -0.089 0.000 0.827 224 A CB 1.708 20.651 19.000 -0.095 0.000 1.178 224 A HN 0.809 nan 8.150 nan 0.000 0.490 225 Q N 0.942 120.529 119.800 -0.355 0.000 2.321 225 Q HA 0.609 4.949 4.340 -0.000 0.000 0.270 225 Q C -2.087 173.642 176.000 -0.451 0.000 1.032 225 Q CA -0.336 55.375 55.803 -0.154 0.000 0.784 225 Q CB 1.138 30.002 28.738 0.210 0.000 1.264 225 Q HN 0.613 nan 8.270 nan 0.000 0.448 226 F N 2.095 122.131 119.950 0.143 0.000 2.480 226 F HA 0.453 4.980 4.527 -0.000 0.000 0.329 226 F C 0.405 176.320 175.800 0.192 0.000 1.091 226 F CA -0.921 57.117 58.000 0.064 0.000 0.972 226 F CB 1.548 40.468 39.000 -0.134 0.000 1.150 226 F HN 0.423 nan 8.300 nan 0.000 0.467 227 N N 1.805 120.691 118.700 0.310 0.000 2.479 227 N HA 0.179 4.919 4.740 -0.000 0.000 0.261 227 N C -0.729 174.931 175.510 0.251 0.000 0.979 227 N CA -0.235 52.977 53.050 0.269 0.000 0.930 227 N CB 1.192 39.785 38.487 0.178 0.000 1.172 227 N HN 0.577 nan 8.380 nan 0.000 0.499 228 D N 1.829 122.406 120.400 0.295 0.000 2.342 228 D HA 0.081 4.721 4.640 -0.000 0.000 0.221 228 D C 1.215 177.631 176.300 0.194 0.000 1.101 228 D CA 0.216 54.363 54.000 0.245 0.000 0.837 228 D CB 0.451 41.445 40.800 0.323 0.000 0.938 228 D HN 0.510 nan 8.370 nan 0.000 0.508 229 T N -0.237 114.418 114.554 0.169 0.000 2.564 229 T HA -0.209 4.141 4.350 -0.000 0.000 0.264 229 T C 1.816 176.581 174.700 0.108 0.000 1.100 229 T CA 1.940 64.117 62.100 0.128 0.000 1.171 229 T CB -0.390 68.540 68.868 0.103 0.000 0.863 229 T HN 0.341 nan 8.240 nan 0.000 0.430 230 G N 0.588 109.444 108.800 0.094 0.000 2.920 230 G HA2 0.256 4.216 3.960 -0.000 0.000 0.208 230 G HA3 0.256 4.216 3.960 -0.000 0.000 0.208 230 G C 0.377 175.324 174.900 0.079 0.000 1.159 230 G CA -0.201 44.945 45.100 0.077 0.000 0.784 230 G HN 0.436 nan 8.290 nan 0.000 0.535 231 V N 2.340 122.312 119.914 0.098 0.000 2.521 231 V HA 0.140 4.260 4.120 -0.000 0.000 0.286 231 V C -1.626 174.521 176.094 0.088 0.000 1.034 231 V CA -1.301 61.056 62.300 0.095 0.000 1.045 231 V CB 1.214 33.106 31.823 0.115 0.000 0.974 231 V HN 0.095 nan 8.190 nan 0.000 0.480 232 P HA 0.225 nan 4.420 nan 0.000 0.271 232 P C -0.593 176.722 177.300 0.024 0.000 1.233 232 P CA -0.174 62.949 63.100 0.039 0.000 0.789 232 P CB 0.515 32.230 31.700 0.025 0.000 0.951 233 L N 1.553 122.750 121.223 -0.043 0.000 2.334 233 L HA 0.614 4.954 4.340 -0.000 0.000 0.272 233 L C 0.255 176.947 176.870 -0.297 0.000 1.020 233 L CA -1.017 53.747 54.840 -0.127 0.000 0.812 233 L CB 1.001 42.980 42.059 -0.134 0.000 1.264 233 L HN 0.301 nan 8.230 nan 0.000 0.439 234 I N -0.307 120.035 120.570 -0.380 0.000 2.740 234 I HA 0.770 4.939 4.170 -0.000 0.000 0.303 234 I C -0.911 174.833 176.117 -0.623 0.000 1.044 234 I CA -0.571 60.409 61.300 -0.532 0.000 1.064 234 I CB 2.142 39.707 38.000 -0.724 0.000 1.249 234 I HN 0.610 nan 8.210 nan 0.000 0.433 235 E N 3.361 123.188 120.200 -0.621 0.000 2.356 235 E HA 0.688 5.038 4.350 -0.000 0.000 0.275 235 E C -1.676 174.747 176.600 -0.295 0.000 0.904 235 E CA -0.760 55.287 56.400 -0.588 0.000 0.757 235 E CB 1.610 30.762 29.700 -0.914 0.000 1.232 235 E HN 0.693 nan 8.360 nan 0.000 0.442 236 Y N -0.705 119.476 120.300 -0.199 0.000 2.553 236 Y HA 0.801 5.350 4.550 -0.000 0.000 0.347 236 Y C -0.639 175.225 175.900 -0.060 0.000 1.019 236 Y CA -1.383 56.638 58.100 -0.131 0.000 1.032 236 Y CB 1.481 39.885 38.460 -0.094 0.000 1.284 236 Y HN 0.433 nan 8.280 nan 0.000 0.466 237 S N 2.301 118.047 115.700 0.077 0.000 2.601 237 S HA 0.518 4.988 4.470 -0.000 0.000 0.271 237 S C -1.474 173.078 174.600 -0.080 0.000 1.305 237 S CA -0.379 57.749 58.200 -0.121 0.000 1.022 237 S CB 0.555 63.545 63.200 -0.351 0.000 0.940 237 S HN 0.561 nan 8.310 nan 0.000 0.525 238 F N 1.754 121.480 119.950 -0.373 0.000 2.539 238 F HA 0.430 4.957 4.527 -0.000 0.000 0.328 238 F C -0.361 175.212 175.800 -0.378 0.000 1.148 238 F CA -1.010 56.851 58.000 -0.232 0.000 0.940 238 F CB 0.771 39.785 39.000 0.023 0.000 1.194 238 F HN 0.645 nan 8.300 nan 0.000 0.438 239 Y N 2.693 122.768 120.300 -0.374 0.000 2.365 239 Y HA 0.089 4.639 4.550 -0.000 0.000 0.293 239 Y C 1.799 177.557 175.900 -0.237 0.000 1.119 239 Y CA 1.130 59.089 58.100 -0.236 0.000 1.203 239 Y CB -0.621 37.715 38.460 -0.206 0.000 1.026 239 Y HN 0.723 nan 8.280 nan 0.000 0.549 240 S N -0.076 115.372 115.700 -0.420 0.000 3.160 240 S HA -0.245 4.225 4.470 -0.000 0.000 0.634 240 S C -0.342 174.260 174.600 0.003 0.000 2.861 240 S CA 0.360 58.494 58.200 -0.109 0.000 3.097 240 S CB -1.186 62.125 63.200 0.186 0.000 0.331 240 S HN 0.484 nan 8.310 nan 0.000 1.767 241 D N 2.043 122.483 120.400 0.066 0.000 2.443 241 D HA 0.065 4.705 4.640 -0.000 0.000 0.234 241 D C 1.491 177.817 176.300 0.044 0.000 1.172 241 D CA 0.832 54.865 54.000 0.055 0.000 0.878 241 D CB 0.156 40.995 40.800 0.066 0.000 1.204 241 D HN 0.721 nan 8.370 nan 0.000 0.453 242 E N -0.509 119.709 120.200 0.030 0.000 2.472 242 E HA -0.132 4.218 4.350 -0.000 0.000 0.200 242 E C 1.125 177.738 176.600 0.022 0.000 1.046 242 E CA 0.569 56.980 56.400 0.020 0.000 0.871 242 E CB -0.034 29.670 29.700 0.006 0.000 0.806 242 E HN 0.304 nan 8.360 nan 0.000 0.533 243 S N 0.558 116.278 115.700 0.033 0.000 2.470 243 S HA -0.025 4.445 4.470 -0.000 0.000 0.225 243 S C 0.903 175.529 174.600 0.044 0.000 1.006 243 S CA -0.341 57.879 58.200 0.034 0.000 0.934 243 S CB -0.235 62.987 63.200 0.038 0.000 0.778 243 S HN 0.278 nan 8.310 nan 0.000 0.517 244 L N 2.983 124.240 121.223 0.057 0.000 2.456 244 L HA 0.265 4.605 4.340 -0.000 0.000 0.277 244 L C 1.456 178.362 176.870 0.060 0.000 1.124 244 L CA 0.167 55.053 54.840 0.076 0.000 0.880 244 L CB 0.367 42.483 42.059 0.096 0.000 1.192 244 L HN 0.315 nan 8.230 nan 0.000 0.463 245 Q N 4.080 123.917 119.800 0.062 0.000 2.079 245 Q HA -0.121 4.219 4.340 -0.000 0.000 0.200 245 Q C -0.510 175.417 176.000 -0.123 0.000 0.974 245 Q CA 1.457 57.244 55.803 -0.026 0.000 0.840 245 Q CB 0.102 28.843 28.738 0.005 0.000 0.898 245 Q HN 0.673 nan 8.270 nan 0.000 0.430 246 Y N 1.406 121.724 120.300 0.030 0.000 2.328 246 Y HA 0.381 4.930 4.550 -0.000 0.000 0.333 246 Y C -2.037 173.877 175.900 0.024 0.000 0.958 246 Y CA -2.990 55.125 58.100 0.025 0.000 1.167 246 Y CB 1.271 39.738 38.460 0.012 0.000 1.151 246 Y HN 0.192 nan 8.280 nan 0.000 0.470 247 P HA 0.010 nan 4.420 nan 0.000 0.267 247 P C -0.451 176.871 177.300 0.038 0.000 1.200 247 P CA -0.217 62.904 63.100 0.035 0.000 0.772 247 P CB 1.093 32.735 31.700 -0.096 0.000 0.855 248 K N 1.214 121.638 120.400 0.041 0.000 2.118 248 K HA 0.402 4.722 4.320 -0.000 0.000 0.240 248 K C 0.202 176.814 176.600 0.019 0.000 1.035 248 K CA 0.001 56.319 56.287 0.052 0.000 0.899 248 K CB 0.082 32.645 32.500 0.104 0.000 1.085 248 K HN 0.414 nan 8.250 nan 0.000 0.498 249 T N 0.263 114.829 114.554 0.020 0.000 2.949 249 T HA 0.287 4.637 4.350 -0.000 0.000 0.300 249 T C -0.576 174.167 174.700 0.072 0.000 0.988 249 T CA -0.721 61.418 62.100 0.065 0.000 0.993 249 T CB 1.352 70.344 68.868 0.207 0.000 0.984 249 T HN 0.131 nan 8.240 nan 0.000 0.442 250 V N 3.617 123.449 119.914 -0.136 0.000 2.407 250 V HA 0.452 4.572 4.120 -0.000 0.000 0.278 250 V C -0.859 175.215 176.094 -0.035 0.000 1.037 250 V CA -0.748 61.421 62.300 -0.218 0.000 0.900 250 V CB 0.739 32.101 31.823 -0.768 0.000 0.983 250 V HN 0.783 nan 8.190 nan 0.000 0.459 251 W N 5.382 126.561 121.300 -0.202 0.000 2.529 251 W HA 0.783 5.442 4.660 -0.000 0.000 0.321 251 W C -0.357 176.140 176.519 -0.037 0.000 1.047 251 W CA -0.965 56.302 57.345 -0.130 0.000 1.216 251 W CB 1.218 30.632 29.460 -0.077 0.000 1.357 251 W HN 0.313 nan 8.180 nan 0.000 0.489 252 I N 5.388 125.992 120.570 0.055 0.000 2.534 252 I HA 0.241 4.411 4.170 -0.000 0.000 0.288 252 I C -2.238 173.919 176.117 0.067 0.000 1.077 252 I CA -2.389 58.966 61.300 0.092 0.000 1.051 252 I CB 2.744 40.697 38.000 -0.079 0.000 1.234 252 I HN 0.021 nan 8.210 nan 0.000 0.425 253 P HA 0.052 nan 4.420 nan 0.000 0.275 253 P C -1.465 175.912 177.300 0.129 0.000 1.276 253 P CA 0.230 63.423 63.100 0.156 0.000 0.782 253 P CB 0.139 31.974 31.700 0.224 0.000 0.851 254 Y N 6.826 127.074 120.300 -0.087 0.000 2.327 254 Y HA 0.386 4.935 4.550 -0.000 0.000 0.325 254 Y C -2.473 173.383 175.900 -0.073 0.000 0.999 254 Y CA -2.703 55.299 58.100 -0.162 0.000 1.195 254 Y CB 2.416 40.671 38.460 -0.342 0.000 1.132 254 Y HN 0.257 nan 8.280 nan 0.000 0.455 255 P HA 0.238 nan 4.420 nan 0.000 0.292 255 P C -1.234 176.095 177.300 0.048 0.000 1.326 255 P CA -0.304 62.815 63.100 0.032 0.000 0.787 255 P CB 1.572 33.281 31.700 0.015 0.000 0.903 256 K N 1.994 122.512 120.400 0.196 0.000 2.102 256 K HA 0.511 4.831 4.320 -0.000 0.000 0.244 256 K C 0.546 177.243 176.600 0.162 0.000 1.021 256 K CA -0.750 55.678 56.287 0.235 0.000 0.913 256 K CB 0.520 33.172 32.500 0.253 0.000 1.062 256 K HN 0.450 nan 8.250 nan 0.000 0.485 257 A N 0.772 123.721 122.820 0.215 0.000 2.583 257 A HA 0.213 4.533 4.320 -0.000 0.000 0.249 257 A C 1.231 178.855 177.584 0.068 0.000 1.035 257 A CA 1.121 53.271 52.037 0.187 0.000 0.777 257 A CB -1.370 17.826 19.000 0.328 0.000 0.942 257 A HN 0.919 nan 8.150 nan 0.000 0.516 258 G N 0.973 109.799 108.800 0.044 0.000 2.184 258 G HA2 0.096 4.056 3.960 -0.000 0.000 0.264 258 G HA3 0.096 4.056 3.960 -0.000 0.000 0.264 258 G C 0.693 175.602 174.900 0.015 0.000 0.975 258 G CA 0.862 45.962 45.100 0.001 0.000 0.642 258 G HN 2.239 nan 8.290 nan 0.000 0.536 259 A N -0.483 122.361 122.820 0.040 0.000 2.280 259 A HA 0.718 5.038 4.320 -0.000 0.000 0.268 259 A C 0.870 178.476 177.584 0.037 0.000 1.111 259 A CA 0.304 52.366 52.037 0.041 0.000 0.814 259 A CB 0.706 19.742 19.000 0.062 0.000 1.093 259 A HN 1.137 nan 8.150 nan 0.000 0.498 260 V N 2.632 122.568 119.914 0.037 0.000 2.485 260 V HA 0.015 4.135 4.120 -0.000 0.000 0.287 260 V C 0.383 176.508 176.094 0.051 0.000 1.022 260 V CA -0.031 62.290 62.300 0.035 0.000 1.067 260 V CB -0.170 31.676 31.823 0.038 0.000 0.967 260 V HN 0.819 nan 8.190 nan 0.000 0.479 261 N N 6.782 125.508 118.700 0.044 0.000 2.434 261 N HA 0.470 5.210 4.740 -0.000 0.000 0.266 261 N C -2.236 173.336 175.510 0.104 0.000 1.223 261 N CA -1.359 51.738 53.050 0.078 0.000 0.972 261 N CB 1.009 39.535 38.487 0.065 0.000 1.207 261 N HN 0.385 nan 8.380 nan 0.000 0.525 262 P HA 0.129 nan 4.420 nan 0.000 0.275 262 P C -0.542 176.873 177.300 0.191 0.000 1.266 262 P CA -0.106 63.113 63.100 0.198 0.000 0.793 262 P CB 0.380 32.226 31.700 0.243 0.000 1.074 263 T N -2.662 111.996 114.554 0.172 0.000 2.932 263 T HA 0.643 4.992 4.350 -0.000 0.000 0.289 263 T C -0.119 174.655 174.700 0.123 0.000 1.039 263 T CA -0.712 61.449 62.100 0.101 0.000 1.024 263 T CB 1.074 69.976 68.868 0.058 0.000 1.090 263 T HN 0.238 nan 8.240 nan 0.000 0.496 264 V N 0.293 120.249 119.914 0.070 0.000 2.960 264 V HA 0.770 4.890 4.120 -0.000 0.000 0.315 264 V C -0.418 175.687 176.094 0.018 0.000 1.087 264 V CA -1.140 61.153 62.300 -0.013 0.000 0.982 264 V CB 1.789 33.674 31.823 0.104 0.000 1.039 264 V HN 0.989 nan 8.190 nan 0.000 0.437 265 K N 1.362 121.708 120.400 -0.090 0.000 2.527 265 K HA 0.605 4.925 4.320 -0.000 0.000 0.260 265 K C -2.029 174.401 176.600 -0.284 0.000 0.937 265 K CA -0.509 55.676 56.287 -0.169 0.000 0.826 265 K CB 2.909 35.298 32.500 -0.185 0.000 1.359 265 K HN 0.576 nan 8.250 nan 0.000 0.434 266 F N 2.738 122.328 119.950 -0.600 0.000 2.482 266 F HA 0.581 5.108 4.527 -0.000 0.000 0.331 266 F C -1.366 173.856 175.800 -0.963 0.000 1.115 266 F CA -0.643 57.007 58.000 -0.585 0.000 0.955 266 F CB 0.788 39.620 39.000 -0.280 0.000 1.136 266 F HN 0.379 nan 8.300 nan 0.000 0.452 267 F N 5.435 124.639 119.950 -1.244 0.000 2.603 267 F HA 0.693 5.220 4.527 -0.000 0.000 0.317 267 F C -0.729 174.415 175.800 -1.094 0.000 1.066 267 F CA -0.981 56.388 58.000 -1.051 0.000 0.941 267 F CB 2.024 40.318 39.000 -1.177 0.000 1.291 267 F HN 0.110 nan 8.300 nan 0.000 0.472 268 I N 2.633 122.991 120.570 -0.353 0.000 2.512 268 I HA 0.409 4.579 4.170 -0.000 0.000 0.287 268 I C -1.387 174.796 176.117 0.110 0.000 1.069 268 I CA -0.896 60.280 61.300 -0.207 0.000 1.056 268 I CB 2.064 39.769 38.000 -0.493 0.000 1.229 268 I HN 0.309 nan 8.210 nan 0.000 0.429 269 V N 6.622 126.663 119.914 0.212 0.000 2.581 269 V HA 0.445 4.564 4.120 -0.000 0.000 0.303 269 V C -0.334 175.938 176.094 0.296 0.000 1.041 269 V CA -0.470 61.972 62.300 0.237 0.000 0.907 269 V CB 2.033 33.950 31.823 0.156 0.000 0.994 269 V HN 0.773 nan 8.190 nan 0.000 0.442 270 N N 4.001 122.865 118.700 0.274 0.000 2.411 270 N HA 0.154 4.894 4.740 -0.000 0.000 0.259 270 N C 0.767 176.287 175.510 0.018 0.000 1.103 270 N CA 0.443 53.578 53.050 0.142 0.000 0.954 270 N CB 1.695 40.257 38.487 0.125 0.000 1.085 270 N HN 0.805 nan 8.380 nan 0.000 0.485 271 T N 1.843 116.383 114.554 -0.023 0.000 2.985 271 T HA -0.034 4.316 4.350 -0.000 0.000 0.266 271 T C 0.541 175.217 174.700 -0.040 0.000 1.076 271 T CA 0.737 62.840 62.100 0.006 0.000 1.135 271 T CB 0.081 69.039 68.868 0.149 0.000 0.890 271 T HN 0.511 nan 8.240 nan 0.000 0.480 272 D N 1.371 121.720 120.400 -0.085 0.000 2.378 272 D HA -0.024 4.616 4.640 -0.000 0.000 0.222 272 D C 2.060 178.319 176.300 -0.067 0.000 0.980 272 D CA 0.656 54.608 54.000 -0.080 0.000 0.907 272 D CB -0.098 40.638 40.800 -0.108 0.000 0.899 272 D HN 0.527 nan 8.370 nan 0.000 0.527 273 S N -0.675 114.985 115.700 -0.067 0.000 2.511 273 S HA 0.091 4.560 4.470 -0.000 0.000 0.214 273 S C 2.040 176.579 174.600 -0.102 0.000 0.997 273 S CA -0.315 57.851 58.200 -0.058 0.000 0.908 273 S CB -0.235 62.952 63.200 -0.023 0.000 0.803 273 S HN 0.153 nan 8.310 nan 0.000 0.504 274 L N 2.734 123.848 121.223 -0.182 0.000 2.089 274 L HA -0.176 4.164 4.340 -0.000 0.000 0.213 274 L C 2.910 179.546 176.870 -0.391 0.000 1.079 274 L CA 1.667 56.277 54.840 -0.383 0.000 0.758 274 L CB -1.287 40.370 42.059 -0.670 0.000 0.891 274 L HN 0.572 nan 8.230 nan 0.000 0.433 275 S N -0.984 114.585 115.700 -0.218 0.000 2.447 275 S HA -0.103 4.366 4.470 -0.000 0.000 0.233 275 S C 1.689 176.288 174.600 -0.000 0.000 1.006 275 S CA 0.876 59.045 58.200 -0.051 0.000 0.957 275 S CB -0.342 62.855 63.200 -0.004 0.000 0.773 275 S HN 0.550 nan 8.310 nan 0.000 0.507 276 S N 0.053 115.739 115.700 -0.023 0.000 2.574 276 S HA 0.447 4.917 4.470 -0.000 0.000 0.242 276 S C 0.044 174.647 174.600 0.005 0.000 0.982 276 S CA -0.530 57.670 58.200 0.000 0.000 0.977 276 S CB 0.041 63.240 63.200 -0.001 0.000 0.814 276 S HN 0.385 nan 8.310 nan 0.000 0.464 277 T N 0.522 115.078 114.554 0.004 0.000 2.821 277 T HA 0.400 4.750 4.350 -0.000 0.000 0.306 277 T C 0.945 175.667 174.700 0.036 0.000 1.313 277 T CA -0.224 61.885 62.100 0.014 0.000 1.012 277 T CB 1.511 70.380 68.868 0.001 0.000 1.298 277 T HN 0.191 nan 8.240 nan 0.000 0.502 278 T N -1.573 113.003 114.554 0.036 0.000 3.009 278 T HA 0.222 4.572 4.350 -0.000 0.000 0.258 278 T C 0.616 175.341 174.700 0.042 0.000 1.063 278 T CA 0.466 62.596 62.100 0.050 0.000 1.139 278 T CB 0.003 68.891 68.868 0.034 0.000 0.890 278 T HN 0.621 nan 8.240 nan 0.000 0.471 279 T N 1.346 115.910 114.554 0.018 0.000 2.912 279 T HA 0.575 4.925 4.350 -0.000 0.000 0.299 279 T C -1.007 173.689 174.700 -0.007 0.000 1.052 279 T CA -0.657 61.443 62.100 -0.001 0.000 0.996 279 T CB 2.168 71.029 68.868 -0.011 0.000 1.070 279 T HN 0.074 nan 8.240 nan 0.000 0.465 280 T N 1.958 116.500 114.554 -0.019 0.000 2.925 280 T HA 0.625 4.975 4.350 -0.000 0.000 0.285 280 T C -0.116 174.584 174.700 0.001 0.000 1.021 280 T CA -0.572 61.526 62.100 -0.004 0.000 1.042 280 T CB 0.668 69.532 68.868 -0.007 0.000 1.037 280 T HN 0.435 nan 8.240 nan 0.000 0.481 281 I N 4.796 125.384 120.570 0.031 0.000 2.337 281 I HA 0.263 4.433 4.170 -0.000 0.000 0.285 281 I C -1.770 174.393 176.117 0.077 0.000 1.041 281 I CA -2.074 59.248 61.300 0.036 0.000 1.199 281 I CB 1.148 39.177 38.000 0.049 0.000 1.370 281 I HN 0.374 nan 8.210 nan 0.000 0.470 282 P HA 0.072 nan 4.420 nan 0.000 0.268 282 P C -0.795 176.625 177.300 0.201 0.000 1.205 282 P CA -0.114 63.056 63.100 0.116 0.000 0.771 282 P CB 0.678 32.395 31.700 0.029 0.000 0.858 283 M N 1.036 120.787 119.600 0.251 0.000 2.264 283 M HA 0.427 4.907 4.480 -0.000 0.000 0.352 283 M C 0.098 176.534 176.300 0.226 0.000 1.173 283 M CA -0.810 54.652 55.300 0.269 0.000 1.075 283 M CB 1.395 34.206 32.600 0.352 0.000 1.621 283 M HN 0.330 nan 8.290 nan 0.000 0.457 284 Q N 2.854 122.756 119.800 0.169 0.000 2.222 284 Q HA 0.666 5.005 4.340 -0.000 0.000 0.252 284 Q C -1.764 174.178 176.000 -0.096 0.000 0.926 284 Q CA -0.585 55.143 55.803 -0.124 0.000 0.899 284 Q CB 1.698 30.298 28.738 -0.230 0.000 1.250 284 Q HN 0.898 nan 8.270 nan 0.000 0.441 285 I N 3.038 123.518 120.570 -0.149 0.000 2.404 285 I HA 0.302 4.471 4.170 -0.000 0.000 0.293 285 I C -0.240 175.831 176.117 -0.076 0.000 0.992 285 I CA -0.848 60.434 61.300 -0.030 0.000 1.149 285 I CB 2.036 40.069 38.000 0.055 0.000 1.315 285 I HN 0.767 nan 8.210 nan 0.000 0.446 286 T N 2.936 117.420 114.554 -0.117 0.000 2.824 286 T HA 0.704 5.054 4.350 -0.000 0.000 0.280 286 T C 0.145 174.603 174.700 -0.404 0.000 0.995 286 T CA -0.799 61.169 62.100 -0.220 0.000 1.009 286 T CB 1.655 70.412 68.868 -0.186 0.000 0.955 286 T HN 0.657 nan 8.240 nan 0.000 0.452 287 A N 5.033 127.381 122.820 -0.786 0.000 2.547 287 A HA 0.449 4.769 4.320 -0.000 0.000 0.233 287 A C -1.713 175.355 177.584 -0.862 0.000 1.067 287 A CA -1.016 50.111 52.037 -1.516 0.000 0.763 287 A CB -0.788 16.936 19.000 -2.126 0.000 1.007 287 A HN 0.814 nan 8.150 nan 0.000 0.506 288 P HA 0.155 nan 4.420 nan 0.000 0.269 288 P C 0.777 177.864 177.300 -0.354 0.000 1.209 288 P CA 0.590 63.445 63.100 -0.408 0.000 0.776 288 P CB 0.818 32.358 31.700 -0.267 0.000 0.876 289 A N 3.347 126.023 122.820 -0.239 0.000 1.917 289 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 289 A C 1.990 179.460 177.584 -0.190 0.000 1.182 289 A CA 2.403 54.319 52.037 -0.201 0.000 0.633 289 A CB -1.741 17.174 19.000 -0.141 0.000 0.819 289 A HN 0.665 nan 8.150 nan 0.000 0.448 290 S N -1.431 114.182 115.700 -0.144 0.000 2.723 290 S HA 0.179 4.649 4.470 -0.000 0.000 0.231 290 S C 0.963 175.459 174.600 -0.174 0.000 0.967 290 S CA 0.897 59.013 58.200 -0.140 0.000 0.958 290 S CB 0.177 63.366 63.200 -0.018 0.000 0.778 290 S HN 0.278 nan 8.310 nan 0.000 0.537 291 V N 0.163 119.943 119.914 -0.224 0.000 3.305 291 V HA 0.015 4.134 4.120 -0.000 0.000 0.247 291 V C 2.139 177.967 176.094 -0.444 0.000 1.426 291 V CA 1.049 63.186 62.300 -0.271 0.000 1.162 291 V CB -0.144 31.505 31.823 -0.291 0.000 0.961 291 V HN 0.452 nan 8.190 nan 0.000 0.449 292 T N 0.544 114.818 114.554 -0.466 0.000 2.881 292 T HA -0.183 4.166 4.350 -0.000 0.000 0.270 292 T C 1.876 176.476 174.700 -0.167 0.000 1.068 292 T CA 2.113 63.981 62.100 -0.387 0.000 1.131 292 T CB -0.286 68.403 68.868 -0.298 0.000 0.871 292 T HN 0.526 nan 8.240 nan 0.000 0.479 293 T N 0.703 115.170 114.554 -0.146 0.000 2.699 293 T HA 0.054 4.404 4.350 -0.000 0.000 0.268 293 T C 1.193 175.865 174.700 -0.046 0.000 1.036 293 T CA 1.286 63.332 62.100 -0.091 0.000 1.147 293 T CB -0.301 68.505 68.868 -0.103 0.000 0.862 293 T HN 0.595 nan 8.240 nan 0.000 0.446 294 G N -0.025 108.763 108.800 -0.019 0.000 2.975 294 G HA2 0.489 4.449 3.960 -0.000 0.000 0.291 294 G HA3 0.489 4.449 3.960 -0.000 0.000 0.291 294 G C -1.789 173.160 174.900 0.082 0.000 1.334 294 G CA -0.783 44.324 45.100 0.010 0.000 0.843 294 G HN 0.016 nan 8.290 nan 0.000 0.548 295 D N 1.299 121.698 120.400 -0.001 0.000 2.506 295 D HA 0.291 4.931 4.640 -0.000 0.000 0.234 295 D C 0.338 176.582 176.300 -0.094 0.000 1.143 295 D CA 0.968 54.909 54.000 -0.098 0.000 0.871 295 D CB 0.323 41.026 40.800 -0.161 0.000 1.190 295 D HN 0.575 nan 8.370 nan 0.000 0.459 296 H N -0.922 117.989 119.070 -0.266 0.000 2.948 296 H HA 0.439 4.995 4.556 -0.000 0.000 0.315 296 H C -1.381 173.796 175.328 -0.252 0.000 1.360 296 H CA -0.832 55.069 56.048 -0.245 0.000 1.125 296 H CB 0.428 30.180 29.762 -0.017 0.000 1.844 296 H HN 0.366 nan 8.280 nan 0.000 0.529 297 Y N -0.118 120.388 120.300 0.343 0.000 2.581 297 Y HA 0.411 4.961 4.550 -0.000 0.000 0.345 297 Y C -0.453 175.697 175.900 0.417 0.000 1.036 297 Y CA -1.281 57.016 58.100 0.329 0.000 1.042 297 Y CB 2.023 40.504 38.460 0.035 0.000 1.289 297 Y HN 0.441 nan 8.280 nan 0.000 0.471 298 L N 1.211 122.761 121.223 0.544 0.000 2.260 298 L HA 0.377 4.717 4.340 -0.000 0.000 0.289 298 L C 0.057 176.904 176.870 -0.038 0.000 1.057 298 L CA 0.126 54.943 54.840 -0.037 0.000 0.811 298 L CB 0.621 42.663 42.059 -0.029 0.000 1.184 298 L HN 1.017 nan 8.230 nan 0.000 0.429 299 C N 3.230 122.388 119.300 -0.236 0.000 2.576 299 C HA 0.208 4.668 4.460 -0.000 0.000 0.281 299 C C 0.679 175.549 174.990 -0.201 0.000 1.292 299 C CA 0.816 59.691 59.018 -0.238 0.000 1.697 299 C CB -0.613 27.029 27.740 -0.164 0.000 2.109 299 C HN 1.025 nan 8.230 nan 0.000 0.497 300 D N -2.280 118.014 120.400 -0.177 0.000 2.663 300 D HA 0.458 5.098 4.640 -0.000 0.000 0.233 300 D C -1.604 174.455 176.300 -0.401 0.000 1.240 300 D CA -0.328 53.638 54.000 -0.056 0.000 0.774 300 D CB 1.437 42.196 40.800 -0.069 0.000 1.443 300 D HN -0.022 nan 8.370 nan 0.000 0.441 301 V N 1.021 120.611 119.914 -0.541 0.000 2.540 301 V HA 0.893 5.013 4.120 -0.000 0.000 0.302 301 V C -0.503 175.188 176.094 -0.672 0.000 1.035 301 V CA -0.461 61.252 62.300 -0.978 0.000 0.873 301 V CB 1.281 31.888 31.823 -2.027 0.000 0.992 301 V HN 0.837 nan 8.190 nan 0.000 0.428 302 A N 4.106 126.584 122.820 -0.570 0.000 2.476 302 A HA 0.613 4.933 4.320 -0.000 0.000 0.280 302 A C -1.329 176.087 177.584 -0.280 0.000 1.081 302 A CA -0.539 51.321 52.037 -0.295 0.000 0.753 302 A CB 0.530 19.422 19.000 -0.180 0.000 1.248 302 A HN 0.797 nan 8.150 nan 0.000 0.424 303 W N 2.918 124.145 121.300 -0.122 0.000 2.303 303 W HA 0.327 4.987 4.660 -0.000 0.000 0.318 303 W C 1.048 177.494 176.519 -0.121 0.000 1.362 303 W CA 0.138 57.431 57.345 -0.086 0.000 1.234 303 W CB 1.117 30.606 29.460 0.048 0.000 1.248 303 W HN 0.499 nan 8.180 nan 0.000 0.546 304 V N 2.540 122.463 119.914 0.016 0.000 2.341 304 V HA -0.040 4.080 4.120 -0.000 0.000 0.240 304 V C 1.008 177.143 176.094 0.068 0.000 1.035 304 V CA 1.666 63.846 62.300 -0.199 0.000 1.033 304 V CB -0.216 31.196 31.823 -0.684 0.000 0.678 304 V HN 0.604 nan 8.190 nan 0.000 0.464 305 S N -1.331 114.477 115.700 0.180 0.000 2.819 305 S HA 0.380 4.850 4.470 -0.000 0.000 0.299 305 S C 0.530 175.307 174.600 0.295 0.000 1.192 305 S CA 0.103 58.423 58.200 0.200 0.000 0.847 305 S CB 1.814 65.108 63.200 0.156 0.000 1.224 305 S HN 0.135 nan 8.310 nan 0.000 0.537 306 E N 0.166 120.499 120.200 0.222 0.000 2.268 306 E HA -0.027 4.323 4.350 -0.000 0.000 0.195 306 E C 0.116 177.000 176.600 0.474 0.000 0.995 306 E CA 1.464 58.015 56.400 0.251 0.000 0.836 306 E CB -0.073 29.728 29.700 0.169 0.000 0.763 306 E HN 0.581 nan 8.360 nan 0.000 0.491 307 D N -0.333 120.307 120.400 0.401 0.000 2.501 307 D HA 0.138 4.778 4.640 -0.000 0.000 0.224 307 D C -0.334 176.207 176.300 0.402 0.000 1.202 307 D CA -0.011 54.208 54.000 0.363 0.000 0.829 307 D CB 0.485 41.425 40.800 0.233 0.000 1.023 307 D HN -0.009 nan 8.370 nan 0.000 0.499 308 R N 1.023 121.816 120.500 0.489 0.000 2.548 308 R HA 0.576 4.916 4.340 -0.000 0.000 0.280 308 R C -1.911 174.494 176.300 0.176 0.000 1.061 308 R CA -0.543 55.736 56.100 0.298 0.000 0.915 308 R CB 1.869 32.225 30.300 0.093 0.000 1.210 308 R HN -0.012 nan 8.270 nan 0.000 0.442 309 I N 1.930 122.446 120.570 -0.090 0.000 2.769 309 I HA 0.411 4.581 4.170 -0.000 0.000 0.298 309 I C -1.326 174.508 176.117 -0.471 0.000 1.128 309 I CA -0.500 60.498 61.300 -0.504 0.000 1.031 309 I CB 2.466 39.763 38.000 -1.172 0.000 1.235 309 I HN 0.649 nan 8.210 nan 0.000 0.423 310 S N 7.309 122.690 115.700 -0.532 0.000 2.456 310 S HA 0.708 5.178 4.470 -0.000 0.000 0.316 310 S C -1.129 173.154 174.600 -0.529 0.000 1.089 310 S CA -0.578 57.365 58.200 -0.428 0.000 1.101 310 S CB 0.610 63.622 63.200 -0.314 0.000 0.995 310 S HN 0.491 nan 8.310 nan 0.000 0.468 311 L N 4.523 125.457 121.223 -0.482 0.000 2.365 311 L HA 0.570 4.910 4.340 -0.000 0.000 0.273 311 L C -0.204 176.375 176.870 -0.485 0.000 1.000 311 L CA -0.679 53.769 54.840 -0.653 0.000 0.819 311 L CB 2.034 43.636 42.059 -0.761 0.000 1.284 311 L HN 0.555 nan 8.230 nan 0.000 0.418 312 Q N 2.003 121.450 119.800 -0.589 0.000 2.316 312 Q HA 0.428 4.767 4.340 -0.000 0.000 0.264 312 Q C -1.659 174.056 176.000 -0.475 0.000 0.987 312 Q CA -0.574 55.013 55.803 -0.359 0.000 0.852 312 Q CB 2.516 31.108 28.738 -0.244 0.000 1.287 312 Q HN 0.455 nan 8.270 nan 0.000 0.448 313 W N 2.065 123.322 121.300 -0.071 0.000 2.799 313 W HA 0.653 5.313 4.660 -0.000 0.000 0.349 313 W C -0.883 175.670 176.519 0.057 0.000 1.100 313 W CA -0.633 56.719 57.345 0.012 0.000 1.174 313 W CB 1.154 30.611 29.460 -0.006 0.000 1.427 313 W HN 0.390 nan 8.180 nan 0.000 0.547 314 L N 1.923 123.384 121.223 0.397 0.000 2.455 314 L HA 0.553 4.893 4.340 -0.000 0.000 0.264 314 L C -0.303 176.784 176.870 0.362 0.000 0.968 314 L CA -1.049 53.983 54.840 0.320 0.000 0.827 314 L CB 1.522 43.730 42.059 0.249 0.000 1.317 314 L HN 0.418 nan 8.230 nan 0.000 0.407 315 R N 2.285 122.963 120.500 0.297 0.000 2.679 315 R HA 0.274 4.614 4.340 -0.000 0.000 0.269 315 R C 0.959 177.345 176.300 0.143 0.000 1.076 315 R CA -0.270 55.946 56.100 0.193 0.000 1.160 315 R CB 0.587 30.976 30.300 0.148 0.000 1.054 315 R HN 0.633 nan 8.270 nan 0.000 0.507 316 R N 1.121 121.611 120.500 -0.017 0.000 2.117 316 R HA -0.102 4.237 4.340 -0.000 0.000 0.243 316 R C 0.420 176.788 176.300 0.113 0.000 1.143 316 R CA 1.320 57.396 56.100 -0.040 0.000 0.968 316 R CB 0.126 30.353 30.300 -0.123 0.000 0.863 316 R HN 0.381 nan 8.270 nan 0.000 0.444 317 I N 2.813 123.428 120.570 0.075 0.000 2.269 317 I HA 0.022 4.192 4.170 -0.000 0.000 0.293 317 I C 0.049 176.229 176.117 0.105 0.000 1.106 317 I CA 0.226 61.567 61.300 0.070 0.000 1.248 317 I CB 0.969 38.995 38.000 0.043 0.000 1.444 317 I HN 0.309 nan 8.210 nan 0.000 0.497 318 Q N 4.396 124.257 119.800 0.102 0.000 2.271 318 Q HA -0.079 4.261 4.340 -0.000 0.000 0.206 318 Q C 0.621 176.701 176.000 0.133 0.000 0.860 318 Q CA 0.125 56.000 55.803 0.120 0.000 0.991 318 Q CB -0.422 28.349 28.738 0.054 0.000 1.232 318 Q HN 0.589 nan 8.270 nan 0.000 0.410 319 N N -0.748 118.030 118.700 0.131 0.000 2.204 319 N HA -0.030 4.710 4.740 -0.000 0.000 0.219 319 N C -1.031 174.571 175.510 0.152 0.000 1.151 319 N CA -0.217 52.896 53.050 0.104 0.000 0.867 319 N CB 0.311 38.835 38.487 0.061 0.000 1.043 319 N HN 0.241 nan 8.380 nan 0.000 0.516 320 Y N 0.277 120.604 120.300 0.044 0.000 2.386 320 Y HA 0.587 5.136 4.550 -0.000 0.000 0.334 320 Y C -1.182 174.756 175.900 0.064 0.000 1.002 320 Y CA -0.896 57.230 58.100 0.042 0.000 1.068 320 Y CB 1.804 40.281 38.460 0.028 0.000 1.203 320 Y HN 0.030 nan 8.280 nan 0.000 0.443 321 S N 4.661 120.125 115.700 -0.394 0.000 2.546 321 S HA 0.880 5.350 4.470 -0.000 0.000 0.274 321 S C -2.249 172.164 174.600 -0.310 0.000 1.121 321 S CA -0.489 57.604 58.200 -0.178 0.000 0.887 321 S CB 1.457 64.615 63.200 -0.070 0.000 1.094 321 S HN 0.510 nan 8.310 nan 0.000 0.474 322 V N 4.713 124.591 119.914 -0.061 0.000 2.638 322 V HA 0.556 4.675 4.120 -0.000 0.000 0.306 322 V C -0.439 175.691 176.094 0.059 0.000 1.052 322 V CA -0.638 61.650 62.300 -0.020 0.000 0.885 322 V CB 1.847 33.707 31.823 0.062 0.000 0.999 322 V HN 0.962 nan 8.190 nan 0.000 0.424 323 M N 4.641 124.249 119.600 0.014 0.000 2.072 323 M HA 0.781 5.261 4.480 -0.000 0.000 0.331 323 M C -0.334 175.981 176.300 0.024 0.000 1.004 323 M CA -0.439 54.849 55.300 -0.020 0.000 0.952 323 M CB 1.070 33.600 32.600 -0.115 0.000 1.511 323 M HN 0.795 nan 8.290 nan 0.000 0.422 324 A N 6.279 129.115 122.820 0.026 0.000 2.305 324 A HA 0.741 5.061 4.320 -0.000 0.000 0.322 324 A C -0.839 176.724 177.584 -0.035 0.000 1.187 324 A CA -0.720 51.325 52.037 0.013 0.000 0.825 324 A CB 0.649 19.671 19.000 0.037 0.000 1.164 324 A HN 0.929 nan 8.150 nan 0.000 0.498 325 I N 1.900 122.469 120.570 -0.001 0.000 2.339 325 I HA 0.278 4.448 4.170 -0.000 0.000 0.290 325 I C -0.649 175.467 176.117 -0.001 0.000 0.994 325 I CA -0.296 60.994 61.300 -0.016 0.000 1.191 325 I CB 1.255 39.304 38.000 0.082 0.000 1.343 325 I HN 0.543 nan 8.210 nan 0.000 0.458 326 c N 4.542 123.134 118.600 -0.014 0.000 2.382 326 c HA 0.487 5.056 4.570 -0.000 0.000 0.327 326 c C -0.207 174.022 174.090 0.232 0.000 1.250 326 c CA -0.822 55.565 56.329 0.097 0.000 1.707 326 c CB 0.997 43.564 42.510 0.096 0.000 2.272 326 c HN 0.616 nan 8.230 nan 0.000 0.506 327 D N 0.386 120.910 120.400 0.207 0.000 2.252 327 D HA 0.229 4.869 4.640 -0.000 0.000 0.245 327 D C -1.034 175.247 176.300 -0.032 0.000 1.009 327 D CA -0.195 53.889 54.000 0.139 0.000 0.870 327 D CB 1.812 42.641 40.800 0.048 0.000 1.251 327 D HN 0.618 nan 8.370 nan 0.000 0.460 328 Y N 1.690 121.677 120.300 -0.522 0.000 2.365 328 Y HA 0.101 4.651 4.550 -0.000 0.000 0.340 328 Y C -0.062 175.536 175.900 -0.502 0.000 1.016 328 Y CA -0.566 56.889 58.100 -1.075 0.000 1.196 328 Y CB 0.644 38.179 38.460 -1.542 0.000 1.167 328 Y HN 0.138 nan 8.280 nan 0.000 0.509 329 D N 6.211 126.029 120.400 -0.970 0.000 2.365 329 D HA 0.077 4.717 4.640 -0.000 0.000 0.237 329 D C 0.401 176.116 176.300 -0.974 0.000 1.190 329 D CA 0.048 53.626 54.000 -0.703 0.000 0.867 329 D CB 0.960 41.507 40.800 -0.422 0.000 1.050 329 D HN 0.772 nan 8.370 nan 0.000 0.491 330 K N 1.637 121.652 120.400 -0.642 0.000 2.097 330 K HA -0.103 4.217 4.320 -0.000 0.000 0.206 330 K C 1.802 178.256 176.600 -0.244 0.000 1.049 330 K CA 1.112 57.163 56.287 -0.394 0.000 0.933 330 K CB 0.082 32.511 32.500 -0.119 0.000 0.717 330 K HN 0.319 nan 8.250 nan 0.000 0.442 331 T N 0.688 115.118 114.554 -0.207 0.000 2.701 331 T HA -0.074 4.275 4.350 -0.000 0.000 0.263 331 T C 1.662 176.293 174.700 -0.116 0.000 1.040 331 T CA 1.625 63.650 62.100 -0.124 0.000 1.147 331 T CB -0.106 68.703 68.868 -0.098 0.000 0.865 331 T HN 0.253 nan 8.240 nan 0.000 0.426 332 T N 1.892 116.353 114.554 -0.154 0.000 3.122 332 T HA 0.358 4.708 4.350 -0.000 0.000 0.250 332 T C 0.600 175.236 174.700 -0.107 0.000 1.067 332 T CA -0.197 61.840 62.100 -0.106 0.000 0.966 332 T CB -0.378 68.436 68.868 -0.090 0.000 1.002 332 T HN 0.327 nan 8.240 nan 0.000 0.542 333 L N 1.185 122.292 121.223 -0.193 0.000 3.879 333 L HA -0.155 4.184 4.340 -0.000 0.000 0.481 333 L C -0.645 176.221 176.870 -0.007 0.000 1.232 333 L CA -0.177 54.600 54.840 -0.105 0.000 0.736 333 L CB -1.917 40.201 42.059 0.098 0.000 1.511 333 L HN 0.150 nan 8.230 nan 0.000 0.830 334 V N -1.540 118.260 119.914 -0.190 0.000 3.147 334 V HA 0.514 4.633 4.120 -0.000 0.000 0.306 334 V C -0.554 175.453 176.094 -0.145 0.000 1.209 334 V CA -0.831 61.458 62.300 -0.018 0.000 1.023 334 V CB 2.303 34.123 31.823 -0.005 0.000 1.059 334 V HN 0.273 nan 8.190 nan 0.000 0.435 335 W N 1.933 123.271 121.300 0.063 0.000 2.469 335 W HA 0.606 5.265 4.660 -0.000 0.000 0.320 335 W C 0.101 176.614 176.519 -0.010 0.000 1.086 335 W CA -0.296 57.075 57.345 0.044 0.000 1.211 335 W CB 0.935 30.411 29.460 0.028 0.000 1.298 335 W HN 0.395 nan 8.180 nan 0.000 0.525 336 N N 2.078 120.870 118.700 0.153 0.000 2.321 336 N HA 0.395 5.135 4.740 -0.000 0.000 0.299 336 N C -1.423 174.131 175.510 0.073 0.000 1.048 336 N CA -0.500 52.593 53.050 0.072 0.000 0.836 336 N CB 1.838 40.329 38.487 0.007 0.000 1.269 336 N HN 0.292 nan 8.380 nan 0.000 0.486 337 c N 2.372 120.992 118.600 0.033 0.000 3.075 337 c HA 0.282 4.851 4.570 -0.000 0.000 0.262 337 c C -2.012 172.069 174.090 -0.016 0.000 1.371 337 c CA -1.501 54.834 56.329 0.010 0.000 1.594 337 c CB -0.632 41.873 42.510 -0.009 0.000 1.849 337 c HN 0.511 nan 8.230 nan 0.000 0.475 338 P HA 0.018 nan 4.420 nan 0.000 0.262 338 P C 1.160 178.438 177.300 -0.037 0.000 1.182 338 P CA 0.889 63.975 63.100 -0.023 0.000 0.761 338 P CB 0.685 32.378 31.700 -0.012 0.000 0.795 339 T N -0.423 114.104 114.554 -0.045 0.000 2.869 339 T HA -0.163 4.186 4.350 -0.000 0.000 0.270 339 T C 1.403 176.063 174.700 -0.066 0.000 1.082 339 T CA 1.845 63.911 62.100 -0.055 0.000 1.123 339 T CB -1.378 67.461 68.868 -0.049 0.000 0.856 339 T HN 0.418 nan 8.240 nan 0.000 0.499 340 T N 2.019 116.542 114.554 -0.051 0.000 2.915 340 T HA -0.057 4.293 4.350 -0.000 0.000 0.269 340 T C 1.564 176.215 174.700 -0.082 0.000 1.071 340 T CA 1.000 63.069 62.100 -0.051 0.000 1.132 340 T CB -0.245 68.609 68.868 -0.022 0.000 0.878 340 T HN 0.587 nan 8.240 nan 0.000 0.479 341 Q N 0.374 120.129 119.800 -0.074 0.000 2.189 341 Q HA 0.280 4.619 4.340 -0.000 0.000 0.221 341 Q C -0.110 175.790 176.000 -0.167 0.000 0.848 341 Q CA -0.121 55.637 55.803 -0.074 0.000 1.007 341 Q CB 0.560 29.320 28.738 0.036 0.000 1.116 341 Q HN 0.490 nan 8.270 nan 0.000 0.481 342 E N 1.175 121.234 120.200 -0.235 0.000 2.134 342 E HA 0.143 4.492 4.350 -0.000 0.000 0.278 342 E C -0.929 175.473 176.600 -0.331 0.000 0.959 342 E CA -0.365 55.923 56.400 -0.186 0.000 0.783 342 E CB 0.694 30.335 29.700 -0.098 0.000 1.095 342 E HN 0.202 nan 8.360 nan 0.000 0.399 343 H N 4.293 123.360 119.070 -0.005 0.000 2.466 343 H HA 0.369 4.925 4.556 -0.000 0.000 0.338 343 H C -0.242 175.051 175.328 -0.057 0.000 1.091 343 H CA -0.532 55.511 56.048 -0.008 0.000 1.207 343 H CB 1.121 30.860 29.762 -0.039 0.000 1.466 343 H HN 0.445 nan 8.280 nan 0.000 0.493 344 I N 2.197 122.797 120.570 0.050 0.000 2.377 344 I HA 0.164 4.334 4.170 -0.000 0.000 0.293 344 I C 0.295 176.366 176.117 -0.076 0.000 0.987 344 I CA -0.316 60.925 61.300 -0.098 0.000 1.185 344 I CB 1.673 39.606 38.000 -0.112 0.000 1.341 344 I HN 0.441 nan 8.210 nan 0.000 0.455 345 E N 4.130 124.228 120.200 -0.170 0.000 2.187 345 E HA 0.523 4.873 4.350 -0.000 0.000 0.268 345 E C -1.167 175.345 176.600 -0.146 0.000 0.896 345 E CA -0.329 56.019 56.400 -0.086 0.000 0.766 345 E CB 1.930 31.602 29.700 -0.046 0.000 1.142 345 E HN 0.522 nan 8.360 nan 0.000 0.408 346 T N 1.314 115.832 114.554 -0.059 0.000 2.887 346 T HA 0.543 4.893 4.350 -0.000 0.000 0.292 346 T C -1.495 173.199 174.700 -0.011 0.000 1.087 346 T CA -0.594 61.489 62.100 -0.028 0.000 1.009 346 T CB 1.740 70.616 68.868 0.013 0.000 1.203 346 T HN 0.295 nan 8.240 nan 0.000 0.518 347 S N -0.244 115.450 115.700 -0.010 0.000 2.592 347 S HA 0.617 5.087 4.470 -0.000 0.000 0.275 347 S C 0.123 174.686 174.600 -0.062 0.000 1.169 347 S CA -0.017 58.151 58.200 -0.054 0.000 0.958 347 S CB 0.993 64.124 63.200 -0.116 0.000 1.095 347 S HN 0.835 nan 8.310 nan 0.000 0.471 348 A N 3.147 125.929 122.820 -0.064 0.000 2.252 348 A HA 0.238 4.558 4.320 -0.000 0.000 0.213 348 A C 1.555 179.084 177.584 -0.093 0.000 1.188 348 A CA 1.000 53.004 52.037 -0.055 0.000 0.863 348 A CB -0.424 18.560 19.000 -0.027 0.000 0.893 348 A HN 0.775 nan 8.150 nan 0.000 0.495 349 T N -1.506 112.960 114.554 -0.147 0.000 2.939 349 T HA 0.379 4.728 4.350 -0.000 0.000 0.254 349 T C 1.365 175.800 174.700 -0.442 0.000 1.041 349 T CA 1.182 63.172 62.100 -0.184 0.000 1.142 349 T CB 0.130 68.996 68.868 -0.003 0.000 0.874 349 T HN 0.545 nan 8.240 nan 0.000 0.452 350 G N 0.316 108.610 108.800 -0.843 0.000 3.504 350 G HA2 0.465 4.425 3.960 -0.000 0.000 0.162 350 G HA3 0.465 4.425 3.960 -0.000 0.000 0.162 350 G C -1.538 173.115 174.900 -0.412 0.000 1.311 350 G CA -0.287 44.309 45.100 -0.839 0.000 1.322 350 G HN 0.511 nan 8.290 nan 0.000 0.738 351 W N -0.363 120.664 121.300 -0.454 0.000 2.929 351 W HA 0.737 5.397 4.660 -0.000 0.000 0.345 351 W C -0.735 175.754 176.519 -0.050 0.000 1.151 351 W CA -1.581 55.658 57.345 -0.176 0.000 1.111 351 W CB 0.698 30.051 29.460 -0.179 0.000 1.449 351 W HN 0.383 nan 8.180 nan 0.000 0.572 352 C N 3.586 122.973 119.300 0.145 0.000 2.566 352 C HA 0.712 5.172 4.460 -0.000 0.000 0.393 352 C C 1.162 176.240 174.990 0.146 0.000 1.309 352 C CA 1.234 60.297 59.018 0.076 0.000 1.801 352 C CB -0.908 26.868 27.740 0.059 0.000 2.493 352 C HN 1.229 nan 8.230 nan 0.000 0.575 353 G N 4.482 113.315 108.800 0.056 0.000 2.782 353 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.228 353 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.228 353 G C 0.487 175.462 174.900 0.126 0.000 1.372 353 G CA -0.173 44.978 45.100 0.085 0.000 0.862 353 G HN 0.716 nan 8.290 nan 0.000 0.547 354 R N -1.127 119.443 120.500 0.117 0.000 2.055 354 R HA 0.193 4.533 4.340 -0.000 0.000 0.226 354 R C 1.883 178.106 176.300 -0.127 0.000 1.135 354 R CA 1.981 58.092 56.100 0.018 0.000 0.959 354 R CB -0.042 30.300 30.300 0.071 0.000 0.854 354 R HN 0.461 nan 8.270 nan 0.000 0.431 355 F N -0.503 119.572 119.950 0.208 0.000 2.856 355 F HA 0.273 4.800 4.527 -0.000 0.000 0.338 355 F C -0.006 175.804 175.800 0.016 0.000 1.100 355 F CA -0.523 57.539 58.000 0.104 0.000 1.150 355 F CB 0.842 39.900 39.000 0.097 0.000 1.101 355 F HN -0.079 nan 8.300 nan 0.000 0.548 356 R N -2.011 118.609 120.500 0.199 0.000 3.343 356 R HA 0.261 4.601 4.340 -0.000 0.000 0.282 356 R C -3.408 172.949 176.300 0.095 0.000 0.974 356 R CA -1.656 54.498 56.100 0.090 0.000 0.857 356 R CB -0.560 29.742 30.300 0.003 0.000 1.322 356 R HN -0.361 nan 8.270 nan 0.000 0.537 357 P HA 0.030 nan 4.420 nan 0.000 0.264 357 P C -0.541 176.791 177.300 0.053 0.000 1.179 357 P CA 0.452 63.575 63.100 0.038 0.000 0.763 357 P CB 0.505 32.200 31.700 -0.008 0.000 0.806 358 A N 2.288 125.153 122.820 0.074 0.000 2.332 358 A HA 0.175 4.495 4.320 -0.000 0.000 0.258 358 A C 0.339 177.967 177.584 0.074 0.000 1.087 358 A CA -0.377 51.725 52.037 0.107 0.000 0.802 358 A CB -0.075 19.010 19.000 0.142 0.000 1.042 358 A HN 0.591 nan 8.150 nan 0.000 0.489 359 E N 1.748 122.006 120.200 0.096 0.000 2.338 359 E HA 0.291 4.641 4.350 -0.000 0.000 0.272 359 E C -2.208 174.393 176.600 0.002 0.000 1.029 359 E CA -1.798 54.611 56.400 0.014 0.000 0.872 359 E CB 0.673 30.370 29.700 -0.005 0.000 1.015 359 E HN 0.464 nan 8.360 nan 0.000 0.417 360 P HA 0.094 nan 4.420 nan 0.000 0.277 360 P C -1.132 176.092 177.300 -0.126 0.000 1.240 360 P CA -0.039 63.007 63.100 -0.090 0.000 0.798 360 P CB 0.760 32.200 31.700 -0.432 0.000 0.979 361 H N 1.648 120.813 119.070 0.158 0.000 2.991 361 H HA 0.294 4.850 4.556 -0.000 0.000 0.304 361 H C -0.310 175.186 175.328 0.281 0.000 1.040 361 H CA -0.292 55.910 56.048 0.257 0.000 1.410 361 H CB 0.284 30.192 29.762 0.245 0.000 1.529 361 H HN 0.291 nan 8.280 nan 0.000 0.509 362 F N 1.645 121.778 119.950 0.305 0.000 2.380 362 F HA 0.114 4.640 4.527 -0.000 0.000 0.325 362 F C 1.634 177.617 175.800 0.305 0.000 1.136 362 F CA -0.340 57.849 58.000 0.315 0.000 1.171 362 F CB 1.004 40.124 39.000 0.200 0.000 1.230 362 F HN 0.337 nan 8.300 nan 0.000 0.554 363 T N -1.806 113.034 114.554 0.478 0.000 2.816 363 T HA 0.171 4.520 4.350 -0.000 0.000 0.282 363 T C 1.177 176.062 174.700 0.309 0.000 0.993 363 T CA -0.538 61.775 62.100 0.355 0.000 0.994 363 T CB 1.115 70.166 68.868 0.305 0.000 1.025 363 T HN 0.503 nan 8.240 nan 0.000 0.529 364 S N 1.516 117.353 115.700 0.229 0.000 2.369 364 S HA -0.176 4.293 4.470 -0.000 0.000 0.225 364 S C 1.757 176.466 174.600 0.181 0.000 1.043 364 S CA 1.792 60.104 58.200 0.186 0.000 1.074 364 S CB -0.680 62.605 63.200 0.142 0.000 0.962 364 S HN 0.995 nan 8.310 nan 0.000 0.433 365 D N 0.725 121.229 120.400 0.173 0.000 2.378 365 D HA 0.076 4.716 4.640 -0.000 0.000 0.227 365 D C 1.186 177.601 176.300 0.192 0.000 1.012 365 D CA 0.817 54.911 54.000 0.157 0.000 0.905 365 D CB -1.019 39.861 40.800 0.133 0.000 0.895 365 D HN 0.479 nan 8.370 nan 0.000 0.532 366 G N 0.831 109.788 108.800 0.262 0.000 2.258 366 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.274 366 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.274 366 G C 1.052 176.192 174.900 0.401 0.000 1.021 366 G CA 1.119 46.436 45.100 0.361 0.000 0.798 366 G HN 0.617 nan 8.290 nan 0.000 0.507 367 S N -1.970 113.913 115.700 0.305 0.000 2.446 367 S HA 0.487 4.957 4.470 -0.000 0.000 0.225 367 S C 1.023 175.762 174.600 0.231 0.000 1.016 367 S CA 1.173 59.516 58.200 0.238 0.000 0.943 367 S CB 0.421 63.713 63.200 0.154 0.000 0.786 367 S HN 0.892 nan 8.310 nan 0.000 0.508 368 S N 0.376 116.205 115.700 0.216 0.000 2.651 368 S HA 0.803 5.273 4.470 -0.000 0.000 0.279 368 S C -1.191 173.383 174.600 -0.043 0.000 1.148 368 S CA -0.941 57.259 58.200 0.001 0.000 0.837 368 S CB 1.707 64.820 63.200 -0.144 0.000 1.138 368 S HN 0.599 nan 8.310 nan 0.000 0.478 369 F N -0.967 118.706 119.950 -0.461 0.000 2.654 369 F HA 0.796 5.322 4.527 -0.000 0.000 0.308 369 F C -2.129 173.419 175.800 -0.419 0.000 1.108 369 F CA -1.309 56.352 58.000 -0.565 0.000 0.957 369 F CB 0.606 38.733 39.000 -1.455 0.000 1.309 369 F HN 0.474 nan 8.300 nan 0.000 0.446 370 Y N 1.532 121.872 120.300 0.067 0.000 2.387 370 Y HA 0.707 5.256 4.550 -0.000 0.000 0.336 370 Y C -0.145 175.895 175.900 0.234 0.000 1.067 370 Y CA -0.957 57.185 58.100 0.071 0.000 1.114 370 Y CB 2.030 40.509 38.460 0.030 0.000 1.208 370 Y HN 0.782 nan 8.280 nan 0.000 0.458 371 K N 2.613 123.225 120.400 0.353 0.000 2.546 371 K HA 0.534 4.854 4.320 -0.000 0.000 0.264 371 K C -1.806 174.942 176.600 0.247 0.000 0.937 371 K CA -0.605 55.881 56.287 0.331 0.000 0.833 371 K CB 1.661 34.355 32.500 0.324 0.000 1.378 371 K HN 0.738 nan 8.250 nan 0.000 0.432 372 I N 4.485 125.177 120.570 0.204 0.000 2.396 372 I HA 0.210 4.380 4.170 -0.000 0.000 0.289 372 I C -0.080 176.134 176.117 0.161 0.000 1.056 372 I CA -0.475 60.921 61.300 0.160 0.000 1.365 372 I CB 1.046 39.126 38.000 0.133 0.000 1.407 372 I HN 0.389 nan 8.210 nan 0.000 0.509 373 V N 1.841 121.868 119.914 0.189 0.000 3.114 373 V HA 0.533 4.653 4.120 -0.000 0.000 0.308 373 V C -0.155 176.061 176.094 0.203 0.000 1.168 373 V CA -0.756 61.652 62.300 0.180 0.000 1.015 373 V CB 1.832 33.778 31.823 0.205 0.000 1.050 373 V HN 0.591 nan 8.190 nan 0.000 0.433 374 S N 2.673 118.423 115.700 0.083 0.000 2.549 374 S HA 0.345 4.815 4.470 -0.000 0.000 0.283 374 S C -0.185 174.441 174.600 0.044 0.000 1.320 374 S CA 0.023 58.208 58.200 -0.025 0.000 1.058 374 S CB 0.325 63.456 63.200 -0.114 0.000 0.882 374 S HN 1.118 nan 8.310 nan 0.000 0.498 375 D N 1.633 121.899 120.400 -0.224 0.000 2.478 375 D HA 0.208 4.848 4.640 -0.000 0.000 0.269 375 D C 1.055 177.228 176.300 -0.212 0.000 1.232 375 D CA -0.797 52.906 54.000 -0.495 0.000 1.059 375 D CB 0.311 40.407 40.800 -1.174 0.000 1.104 375 D HN 0.371 nan 8.370 nan 0.000 0.566 376 K N -0.979 119.309 120.400 -0.186 0.000 2.127 376 K HA -0.196 4.124 4.320 -0.000 0.000 0.208 376 K C 0.522 177.074 176.600 -0.080 0.000 1.047 376 K CA 1.712 57.946 56.287 -0.088 0.000 0.927 376 K CB -0.102 32.355 32.500 -0.072 0.000 0.716 376 K HN 0.368 nan 8.250 nan 0.000 0.450 377 D N -1.215 119.136 120.400 -0.082 0.000 2.340 377 D HA 0.052 4.691 4.640 -0.000 0.000 0.220 377 D C 0.759 177.028 176.300 -0.052 0.000 1.039 377 D CA 0.946 54.946 54.000 0.000 0.000 0.866 377 D CB 0.669 41.531 40.800 0.103 0.000 0.913 377 D HN 0.508 nan 8.370 nan 0.000 0.523 378 G N 0.802 109.507 108.800 -0.157 0.000 2.137 378 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.237 378 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.237 378 G C -0.307 174.280 174.900 -0.522 0.000 1.002 378 G CA -0.334 44.575 45.100 -0.318 0.000 0.702 378 G HN 0.300 nan 8.290 nan 0.000 0.515 379 Y N -0.059 120.022 120.300 -0.366 0.000 2.331 379 Y HA 0.590 5.140 4.550 -0.000 0.000 0.338 379 Y C 0.734 176.270 175.900 -0.607 0.000 0.976 379 Y CA -1.083 56.706 58.100 -0.518 0.000 1.137 379 Y CB 1.440 39.506 38.460 -0.656 0.000 1.172 379 Y HN -0.018 nan 8.280 nan 0.000 0.478 380 K N 3.535 123.703 120.400 -0.388 0.000 2.361 380 K HA 0.118 4.438 4.320 -0.000 0.000 0.283 380 K C -1.080 175.291 176.600 -0.383 0.000 1.078 380 K CA 0.644 56.774 56.287 -0.262 0.000 1.041 380 K CB -0.403 32.013 32.500 -0.140 0.000 0.932 380 K HN 0.655 nan 8.250 nan 0.000 0.462 381 H N 0.932 119.964 119.070 -0.064 0.000 2.907 381 H HA 0.449 5.005 4.556 -0.000 0.000 0.361 381 H C -0.360 175.012 175.328 0.073 0.000 1.194 381 H CA -1.221 54.764 56.048 -0.106 0.000 1.152 381 H CB 1.515 31.129 29.762 -0.247 0.000 1.867 381 H HN 0.312 nan 8.280 nan 0.000 0.561 382 I N 2.736 123.377 120.570 0.118 0.000 2.396 382 I HA 0.151 4.321 4.170 -0.000 0.000 0.289 382 I C 0.003 176.131 176.117 0.019 0.000 1.056 382 I CA -0.120 61.201 61.300 0.036 0.000 1.365 382 I CB -0.059 37.866 38.000 -0.125 0.000 1.407 382 I HN 0.458 nan 8.210 nan 0.000 0.509 383 c N 3.550 122.068 118.600 -0.138 0.000 2.898 383 c HA 0.558 5.128 4.570 -0.000 0.000 0.304 383 c C -0.392 173.392 174.090 -0.510 0.000 1.237 383 c CA -0.941 55.096 56.329 -0.488 0.000 1.529 383 c CB 1.426 43.139 42.510 -1.329 0.000 2.021 383 c HN 0.778 nan 8.230 nan 0.000 0.474 384 Q N 0.529 119.950 119.800 -0.633 0.000 2.235 384 Q HA 0.690 5.030 4.340 -0.000 0.000 0.250 384 Q C -1.513 173.925 176.000 -0.938 0.000 0.909 384 Q CA -0.102 55.229 55.803 -0.787 0.000 0.910 384 Q CB 0.994 29.351 28.738 -0.634 0.000 1.223 384 Q HN 0.721 nan 8.270 nan 0.000 0.432 385 F N 0.482 119.805 119.950 -1.044 0.000 2.611 385 F HA 0.390 4.917 4.527 -0.000 0.000 0.324 385 F C 0.021 175.314 175.800 -0.845 0.000 1.061 385 F CA -0.928 56.425 58.000 -1.079 0.000 0.954 385 F CB 1.841 39.670 39.000 -1.953 0.000 1.301 385 F HN 0.295 nan 8.300 nan 0.000 0.482 386 Q N 1.075 120.743 119.800 -0.220 0.000 2.301 386 Q HA 0.253 4.593 4.340 -0.000 0.000 0.267 386 Q C 0.904 177.028 176.000 0.207 0.000 1.035 386 Q CA -0.630 55.156 55.803 -0.030 0.000 0.856 386 Q CB 2.167 30.917 28.738 0.021 0.000 1.337 386 Q HN 0.706 nan 8.270 nan 0.000 0.450 387 K N 1.375 121.949 120.400 0.290 0.000 2.015 387 K HA -0.154 4.165 4.320 -0.000 0.000 0.216 387 K C -0.290 176.562 176.600 0.420 0.000 1.052 387 K CA 1.529 58.077 56.287 0.436 0.000 0.937 387 K CB 0.167 32.854 32.500 0.311 0.000 0.719 387 K HN 0.555 nan 8.250 nan 0.000 0.446 388 D N 1.082 121.625 120.400 0.238 0.000 2.350 388 D HA 0.024 4.663 4.640 -0.000 0.000 0.249 388 D C -0.037 176.358 176.300 0.158 0.000 1.119 388 D CA 0.033 54.112 54.000 0.132 0.000 0.886 388 D CB 1.146 41.991 40.800 0.076 0.000 1.195 388 D HN 0.199 nan 8.370 nan 0.000 0.437 389 R N 1.458 121.948 120.500 -0.017 0.000 2.679 389 R HA 0.185 4.525 4.340 -0.000 0.000 0.269 389 R C -0.275 176.062 176.300 0.061 0.000 1.076 389 R CA -0.055 56.066 56.100 0.034 0.000 1.160 389 R CB 0.603 30.788 30.300 -0.192 0.000 1.054 389 R HN 0.280 nan 8.270 nan 0.000 0.507 390 K N 3.032 123.482 120.400 0.083 0.000 2.378 390 K HA 0.338 4.658 4.320 -0.000 0.000 0.252 390 K C -2.434 174.183 176.600 0.028 0.000 0.931 390 K CA -2.065 54.244 56.287 0.037 0.000 0.794 390 K CB 2.200 34.712 32.500 0.019 0.000 1.181 390 K HN 0.504 nan 8.250 nan 0.000 0.425 391 P HA -0.083 nan 4.420 nan 0.000 0.257 391 P C -0.974 176.331 177.300 0.009 0.000 1.227 391 P CA 0.698 63.804 63.100 0.011 0.000 0.981 391 P CB -0.040 31.663 31.700 0.005 0.000 1.044 392 E N 2.267 122.476 120.200 0.016 0.000 2.476 392 E HA -0.229 4.121 4.350 -0.000 0.000 0.251 392 E C -0.359 176.236 176.600 -0.008 0.000 1.130 392 E CA 0.547 56.953 56.400 0.010 0.000 0.736 392 E CB -1.719 27.987 29.700 0.009 0.000 1.298 392 E HN 0.674 nan 8.360 nan 0.000 0.400 393 Q N -2.059 117.728 119.800 -0.021 0.000 1.924 393 Q HA 0.100 4.439 4.340 -0.000 0.000 0.207 393 Q C 0.854 176.793 176.000 -0.102 0.000 0.831 393 Q CA 0.151 55.917 55.803 -0.062 0.000 0.940 393 Q CB 0.515 29.223 28.738 -0.049 0.000 1.263 393 Q HN 0.133 nan 8.270 nan 0.000 0.397 394 V N -1.319 118.556 119.914 -0.065 0.000 2.720 394 V HA -0.137 3.983 4.120 -0.000 0.000 0.256 394 V C 1.055 176.889 176.094 -0.433 0.000 1.082 394 V CA 0.781 63.056 62.300 -0.040 0.000 1.101 394 V CB -0.285 31.697 31.823 0.265 0.000 0.693 394 V HN 0.527 nan 8.190 nan 0.000 0.479 395 c N -0.527 117.722 118.600 -0.585 0.000 2.529 395 c HA 0.701 5.271 4.570 -0.000 0.000 0.329 395 c C 0.464 174.166 174.090 -0.648 0.000 1.194 395 c CA -0.124 55.620 56.329 -0.975 0.000 1.779 395 c CB 1.631 43.391 42.510 -1.249 0.000 2.322 395 c HN 0.457 nan 8.230 nan 0.000 0.500 396 T N 3.213 117.353 114.554 -0.689 0.000 2.985 396 T HA 0.401 4.751 4.350 -0.000 0.000 0.315 396 T C -0.756 173.692 174.700 -0.420 0.000 1.001 396 T CA -0.014 61.852 62.100 -0.391 0.000 1.016 396 T CB 0.137 68.855 68.868 -0.250 0.000 0.993 396 T HN 0.397 nan 8.240 nan 0.000 0.454 397 F N 2.593 122.424 119.950 -0.198 0.000 2.471 397 F HA 0.324 4.851 4.527 -0.000 0.000 0.353 397 F C 1.539 177.234 175.800 -0.175 0.000 1.113 397 F CA -0.261 57.626 58.000 -0.189 0.000 1.262 397 F CB 0.611 39.509 39.000 -0.169 0.000 1.146 397 F HN 0.536 nan 8.300 nan 0.000 0.578 398 I N 1.098 121.653 120.570 -0.025 0.000 4.018 398 I HA 0.092 4.261 4.170 -0.000 0.000 0.337 398 I C -0.179 175.827 176.117 -0.185 0.000 1.327 398 I CA 0.493 61.687 61.300 -0.177 0.000 1.100 398 I CB 0.146 37.959 38.000 -0.311 0.000 1.025 398 I HN 0.499 nan 8.210 nan 0.000 0.396 399 T N 1.472 115.896 114.554 -0.216 0.000 2.952 399 T HA 0.478 4.828 4.350 -0.000 0.000 0.305 399 T C -0.671 173.468 174.700 -0.935 0.000 1.064 399 T CA -0.687 61.111 62.100 -0.504 0.000 1.008 399 T CB 2.462 70.958 68.868 -0.621 0.000 1.078 399 T HN -0.033 nan 8.240 nan 0.000 0.459 400 K N 0.825 120.717 120.400 -0.846 0.000 2.444 400 K HA 0.886 5.206 4.320 -0.000 0.000 0.252 400 K C -0.273 175.987 176.600 -0.566 0.000 0.993 400 K CA -1.096 54.771 56.287 -0.701 0.000 0.847 400 K CB 2.477 34.800 32.500 -0.295 0.000 1.340 400 K HN 0.984 nan 8.250 nan 0.000 0.446 401 G N -0.374 108.210 108.800 -0.360 0.000 2.362 401 G HA2 0.238 4.198 3.960 -0.000 0.000 0.656 401 G HA3 0.238 4.198 3.960 -0.000 0.000 0.656 401 G C -1.340 173.114 174.900 -0.743 0.000 1.376 401 G CA -0.534 44.379 45.100 -0.312 0.000 0.971 401 G HN 0.615 nan 8.290 nan 0.000 0.636 402 A N 1.593 124.106 122.820 -0.511 0.000 3.091 402 A HA 0.654 4.974 4.320 -0.000 0.000 0.264 402 A C 0.276 177.770 177.584 -0.149 0.000 1.673 402 A CA 0.725 52.238 52.037 -0.873 0.000 1.362 402 A CB -1.061 17.707 19.000 -0.386 0.000 1.137 402 A HN 1.919 nan 8.150 nan 0.000 0.617 403 W N -0.758 120.396 121.300 -0.244 0.000 2.986 403 W HA 0.578 5.238 4.660 -0.000 0.000 0.345 403 W C -1.281 175.254 176.519 0.027 0.000 1.191 403 W CA -0.794 56.553 57.345 0.003 0.000 1.170 403 W CB 0.200 29.651 29.460 -0.015 0.000 1.438 403 W HN 0.286 nan 8.180 nan 0.000 0.567 404 E N 0.679 121.008 120.200 0.215 0.000 2.369 404 E HA 0.489 4.839 4.350 -0.000 0.000 0.270 404 E C -1.121 175.599 176.600 0.201 0.000 0.909 404 E CA -1.205 55.162 56.400 -0.054 0.000 0.775 404 E CB 3.309 33.010 29.700 0.001 0.000 1.270 404 E HN 0.184 nan 8.360 nan 0.000 0.445 405 V N 3.668 123.628 119.914 0.078 0.000 2.461 405 V HA 0.017 4.137 4.120 -0.000 0.000 0.275 405 V C 1.192 177.389 176.094 0.172 0.000 1.047 405 V CA -0.136 62.276 62.300 0.187 0.000 0.955 405 V CB 0.609 32.442 31.823 0.017 0.000 0.988 405 V HN 0.687 nan 8.190 nan 0.000 0.471 406 I N 3.189 123.875 120.570 0.193 0.000 2.333 406 I HA 0.014 4.184 4.170 -0.000 0.000 0.246 406 I C 0.998 177.216 176.117 0.168 0.000 1.106 406 I CA 1.192 62.580 61.300 0.147 0.000 1.411 406 I CB -0.598 37.419 38.000 0.029 0.000 1.082 406 I HN 0.850 nan 8.210 nan 0.000 0.420 407 S N -0.508 115.296 115.700 0.172 0.000 2.580 407 S HA 0.492 4.961 4.470 -0.000 0.000 0.281 407 S C -0.841 173.847 174.600 0.148 0.000 1.129 407 S CA -0.871 57.427 58.200 0.163 0.000 0.862 407 S CB 1.166 64.462 63.200 0.161 0.000 1.090 407 S HN 0.035 nan 8.310 nan 0.000 0.451 408 I N 2.818 123.426 120.570 0.064 0.000 2.352 408 I HA 0.257 4.426 4.170 -0.000 0.000 0.290 408 I C 1.002 177.077 176.117 -0.071 0.000 1.036 408 I CA -0.347 60.907 61.300 -0.076 0.000 1.336 408 I CB 0.898 38.645 38.000 -0.422 0.000 1.407 408 I HN 0.741 nan 8.210 nan 0.000 0.497 409 E N 5.196 125.420 120.200 0.039 0.000 2.276 409 E HA 0.276 4.626 4.350 -0.000 0.000 0.193 409 E C 0.200 176.839 176.600 0.065 0.000 0.983 409 E CA 0.194 56.635 56.400 0.069 0.000 0.861 409 E CB 0.700 30.439 29.700 0.065 0.000 0.817 409 E HN 0.691 nan 8.360 nan 0.000 0.485 410 A N 0.649 123.514 122.820 0.075 0.000 2.594 410 A HA 0.505 4.825 4.320 -0.000 0.000 0.296 410 A C -2.022 175.659 177.584 0.162 0.000 1.056 410 A CA -0.709 51.394 52.037 0.110 0.000 0.693 410 A CB 1.039 20.047 19.000 0.013 0.000 1.278 410 A HN 0.039 nan 8.150 nan 0.000 0.408 411 L N 1.683 123.004 121.223 0.163 0.000 2.372 411 L HA 0.734 5.074 4.340 -0.000 0.000 0.273 411 L C -0.011 176.955 176.870 0.159 0.000 0.989 411 L CA 0.398 55.321 54.840 0.137 0.000 0.841 411 L CB 1.548 43.695 42.059 0.148 0.000 1.225 411 L HN 0.777 nan 8.230 nan 0.000 0.414 412 T N 1.263 115.916 114.554 0.165 0.000 2.884 412 T HA 0.273 4.622 4.350 -0.000 0.000 0.277 412 T C 1.258 176.010 174.700 0.087 0.000 0.976 412 T CA 0.205 62.390 62.100 0.142 0.000 0.956 412 T CB 1.449 70.437 68.868 0.201 0.000 1.113 412 T HN 0.711 nan 8.240 nan 0.000 0.554 413 S N 0.558 116.292 115.700 0.056 0.000 2.447 413 S HA -0.091 4.379 4.470 -0.000 0.000 0.233 413 S C 0.990 175.580 174.600 -0.016 0.000 1.006 413 S CA 1.100 59.323 58.200 0.037 0.000 0.957 413 S CB -0.168 63.047 63.200 0.025 0.000 0.773 413 S HN 0.840 nan 8.310 nan 0.000 0.507 414 D N -1.419 118.923 120.400 -0.097 0.000 2.448 414 D HA 0.126 4.766 4.640 -0.000 0.000 0.256 414 D C -0.091 176.057 176.300 -0.252 0.000 1.108 414 D CA -0.084 53.771 54.000 -0.242 0.000 0.848 414 D CB 0.120 40.642 40.800 -0.463 0.000 1.281 414 D HN 0.453 nan 8.370 nan 0.000 0.509 415 Y N 0.369 120.652 120.300 -0.028 0.000 2.524 415 Y HA 0.480 5.030 4.550 -0.000 0.000 0.344 415 Y C -0.846 174.974 175.900 -0.133 0.000 1.012 415 Y CA -1.541 56.480 58.100 -0.131 0.000 1.068 415 Y CB 2.640 40.951 38.460 -0.248 0.000 1.249 415 Y HN -0.184 nan 8.280 nan 0.000 0.468 416 L N 3.307 124.511 121.223 -0.031 0.000 2.342 416 L HA 0.482 4.822 4.340 -0.000 0.000 0.276 416 L C -1.946 174.884 176.870 -0.065 0.000 0.997 416 L CA -1.145 53.655 54.840 -0.067 0.000 0.838 416 L CB -0.034 41.894 42.059 -0.219 0.000 1.224 416 L HN 0.396 nan 8.230 nan 0.000 0.416 417 Y N 5.870 126.165 120.300 -0.007 0.000 2.313 417 Y HA 0.553 5.103 4.550 -0.000 0.000 0.332 417 Y C -0.084 175.840 175.900 0.041 0.000 1.071 417 Y CA 0.077 58.141 58.100 -0.059 0.000 1.169 417 Y CB 0.919 39.303 38.460 -0.127 0.000 1.192 417 Y HN 0.656 nan 8.280 nan 0.000 0.487 418 Y N 0.054 120.391 120.300 0.061 0.000 2.715 418 Y HA 0.858 5.408 4.550 -0.000 0.000 0.331 418 Y C -1.760 174.187 175.900 0.077 0.000 1.197 418 Y CA -2.053 56.074 58.100 0.045 0.000 1.079 418 Y CB 1.317 39.789 38.460 0.021 0.000 1.298 418 Y HN 0.352 nan 8.280 nan 0.000 0.477 419 I N 2.286 123.038 120.570 0.303 0.000 2.533 419 I HA 0.599 4.769 4.170 -0.000 0.000 0.290 419 I C -0.829 175.469 176.117 0.301 0.000 1.056 419 I CA -0.557 60.848 61.300 0.175 0.000 1.057 419 I CB 2.287 40.336 38.000 0.081 0.000 1.240 419 I HN 0.900 nan 8.210 nan 0.000 0.423 420 S N 3.110 118.947 115.700 0.228 0.000 2.720 420 S HA 0.483 4.953 4.470 -0.000 0.000 0.287 420 S C -0.655 174.017 174.600 0.120 0.000 1.168 420 S CA -0.808 57.535 58.200 0.238 0.000 0.832 420 S CB 1.844 65.271 63.200 0.378 0.000 1.166 420 S HN 0.651 nan 8.310 nan 0.000 0.493 421 N N -0.593 118.193 118.700 0.143 0.000 2.467 421 N HA 0.162 4.902 4.740 -0.000 0.000 0.278 421 N C 0.380 175.904 175.510 0.024 0.000 1.306 421 N CA -0.371 52.713 53.050 0.057 0.000 0.905 421 N CB 0.355 38.856 38.487 0.024 0.000 1.236 421 N HN 0.835 nan 8.380 nan 0.000 0.509 422 E N -0.057 120.035 120.200 -0.181 0.000 2.046 422 E HA -0.171 4.179 4.350 -0.000 0.000 0.190 422 E C -0.310 176.137 176.600 -0.254 0.000 0.982 422 E CA 0.209 56.227 56.400 -0.637 0.000 0.800 422 E CB -0.067 28.608 29.700 -1.709 0.000 0.756 422 E HN 0.336 nan 8.360 nan 0.000 0.449 423 Y N 2.111 122.305 120.300 -0.176 0.000 2.895 423 Y HA -0.154 4.395 4.550 -0.000 0.000 0.334 423 Y C 0.505 176.366 175.900 -0.066 0.000 1.261 423 Y CA 0.851 58.903 58.100 -0.080 0.000 1.560 423 Y CB 0.149 38.600 38.460 -0.016 0.000 1.253 423 Y HN 0.130 nan 8.280 nan 0.000 0.582 424 K N 3.123 123.236 120.400 -0.477 0.000 3.185 424 K HA -0.355 3.965 4.320 -0.000 0.000 0.298 424 K C 0.095 176.618 176.600 -0.129 0.000 1.178 424 K CA 1.260 57.310 56.287 -0.394 0.000 0.882 424 K CB -0.909 31.273 32.500 -0.530 0.000 1.218 424 K HN 0.961 nan 8.250 nan 0.000 0.454 425 E N -1.676 118.465 120.200 -0.097 0.000 2.586 425 E HA -0.247 4.103 4.350 -0.000 0.000 0.259 425 E C -0.520 176.051 176.600 -0.048 0.000 1.107 425 E CA 1.072 57.457 56.400 -0.025 0.000 0.754 425 E CB -1.174 28.544 29.700 0.030 0.000 1.335 425 E HN 0.446 nan 8.360 nan 0.000 0.411 426 M N 1.169 120.659 119.600 -0.183 0.000 2.111 426 M HA 0.140 4.619 4.480 -0.000 0.000 0.351 426 M C -1.379 174.650 176.300 -0.450 0.000 1.214 426 M CA -1.904 53.090 55.300 -0.510 0.000 1.120 426 M CB 0.770 33.159 32.600 -0.352 0.000 1.443 426 M HN -0.146 nan 8.290 nan 0.000 0.429 427 P HA -0.073 nan 4.420 nan 0.000 0.223 427 P C 0.991 178.149 177.300 -0.237 0.000 1.151 427 P CA 1.159 64.087 63.100 -0.287 0.000 0.787 427 P CB 0.150 31.696 31.700 -0.257 0.000 0.788 428 G N -0.446 108.123 108.800 -0.386 0.000 3.181 428 G HA2 0.277 4.237 3.960 -0.000 0.000 0.219 428 G HA3 0.277 4.237 3.960 -0.000 0.000 0.219 428 G C 0.676 175.596 174.900 0.034 0.000 1.182 428 G CA 0.076 45.099 45.100 -0.129 0.000 0.791 428 G HN 0.432 nan 8.290 nan 0.000 0.537 429 G N -0.263 108.504 108.800 -0.055 0.000 2.454 429 G HA2 0.626 4.586 3.960 -0.000 0.000 0.329 429 G HA3 0.626 4.586 3.960 -0.000 0.000 0.329 429 G C -0.896 173.936 174.900 -0.113 0.000 1.177 429 G CA -0.776 44.337 45.100 0.022 0.000 0.951 429 G HN 0.043 nan 8.290 nan 0.000 0.485 430 R N 1.299 121.673 120.500 -0.209 0.000 2.502 430 R HA 0.436 4.775 4.340 -0.000 0.000 0.300 430 R C -1.133 175.152 176.300 -0.025 0.000 0.984 430 R CA -0.812 55.118 56.100 -0.283 0.000 0.882 430 R CB 1.685 31.519 30.300 -0.777 0.000 1.180 430 R HN 0.556 nan 8.270 nan 0.000 0.444 431 N N 1.880 120.602 118.700 0.038 0.000 2.229 431 N HA 0.305 5.045 4.740 -0.000 0.000 0.298 431 N C -1.152 174.309 175.510 -0.082 0.000 1.114 431 N CA -0.806 52.230 53.050 -0.023 0.000 0.776 431 N CB 2.754 41.192 38.487 -0.083 0.000 1.501 431 N HN 0.261 nan 8.380 nan 0.000 0.474 432 L N 2.591 123.601 121.223 -0.354 0.000 2.290 432 L HA 0.453 4.792 4.340 -0.000 0.000 0.284 432 L C -1.298 175.211 176.870 -0.602 0.000 1.078 432 L CA 0.158 54.771 54.840 -0.379 0.000 0.815 432 L CB -0.198 41.587 42.059 -0.455 0.000 1.162 432 L HN 0.412 nan 8.230 nan 0.000 0.435 433 Y N 3.646 123.531 120.300 -0.691 0.000 2.686 433 Y HA 0.723 5.273 4.550 -0.000 0.000 0.330 433 Y C -0.466 174.983 175.900 -0.752 0.000 1.082 433 Y CA -0.871 56.745 58.100 -0.807 0.000 1.158 433 Y CB 1.543 39.292 38.460 -1.184 0.000 1.333 433 Y HN 0.593 nan 8.280 nan 0.000 0.519 434 K N 0.752 120.882 120.400 -0.449 0.000 2.561 434 K HA 0.657 4.976 4.320 -0.000 0.000 0.254 434 K C -2.290 174.119 176.600 -0.318 0.000 0.942 434 K CA -0.487 55.479 56.287 -0.535 0.000 0.818 434 K CB 1.505 33.404 32.500 -1.001 0.000 1.306 434 K HN 0.642 nan 8.250 nan 0.000 0.435 435 I N 2.483 122.953 120.570 -0.167 0.000 2.474 435 I HA 0.232 4.402 4.170 -0.000 0.000 0.294 435 I C -0.404 175.767 176.117 0.090 0.000 1.005 435 I CA -1.043 60.244 61.300 -0.021 0.000 1.113 435 I CB 2.202 40.225 38.000 0.039 0.000 1.289 435 I HN 0.709 nan 8.210 nan 0.000 0.436 436 Q N 4.562 124.489 119.800 0.212 0.000 2.288 436 Q HA 0.259 4.599 4.340 -0.000 0.000 0.258 436 Q C 0.459 176.600 176.000 0.236 0.000 0.957 436 Q CA -0.294 55.725 55.803 0.359 0.000 0.919 436 Q CB 1.270 30.200 28.738 0.321 0.000 1.185 436 Q HN 0.663 nan 8.270 nan 0.000 0.408 437 L N 2.463 123.783 121.223 0.161 0.000 2.017 437 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 437 L C 2.369 179.334 176.870 0.159 0.000 1.073 437 L CA 1.776 56.738 54.840 0.204 0.000 0.745 437 L CB -0.733 41.399 42.059 0.121 0.000 0.894 437 L HN 0.783 nan 8.230 nan 0.000 0.432 438 T N -3.877 110.707 114.554 0.050 0.000 2.962 438 T HA -0.141 4.209 4.350 -0.000 0.000 0.270 438 T C 0.698 175.363 174.700 -0.058 0.000 1.088 438 T CA 0.795 62.885 62.100 -0.017 0.000 1.127 438 T CB -0.112 68.742 68.868 -0.024 0.000 0.883 438 T HN 0.175 nan 8.240 nan 0.000 0.493 439 D N 0.348 120.750 120.400 0.005 0.000 2.336 439 D HA 0.159 4.799 4.640 -0.000 0.000 0.248 439 D C -0.133 176.240 176.300 0.121 0.000 1.326 439 D CA -0.547 53.454 54.000 0.001 0.000 0.973 439 D CB 0.605 41.419 40.800 0.024 0.000 1.255 439 D HN 0.073 nan 8.370 nan 0.000 0.558 440 H N 1.406 120.495 119.070 0.030 0.000 2.568 440 H HA 0.008 4.564 4.556 -0.000 0.000 0.281 440 H C 1.365 176.709 175.328 0.027 0.000 1.028 440 H CA 0.784 56.851 56.048 0.031 0.000 1.199 440 H CB -0.038 29.738 29.762 0.024 0.000 1.352 440 H HN 0.300 nan 8.280 nan 0.000 0.605 441 T N -0.181 114.450 114.554 0.129 0.000 3.009 441 T HA -0.044 4.306 4.350 -0.000 0.000 0.258 441 T C 0.997 175.732 174.700 0.059 0.000 1.063 441 T CA 0.133 62.279 62.100 0.077 0.000 1.139 441 T CB -0.053 68.843 68.868 0.046 0.000 0.890 441 T HN 0.242 nan 8.240 nan 0.000 0.471 442 N N 2.920 121.659 118.700 0.065 0.000 3.059 442 N HA 0.083 4.823 4.740 -0.000 0.000 0.321 442 N C -0.269 175.247 175.510 0.011 0.000 1.224 442 N CA 0.260 53.334 53.050 0.041 0.000 1.197 442 N CB -0.170 38.361 38.487 0.074 0.000 1.453 442 N HN 0.413 nan 8.380 nan 0.000 0.544 443 K N 1.098 121.504 120.400 0.010 0.000 2.213 443 K HA 0.286 4.606 4.320 -0.000 0.000 0.270 443 K C -0.636 175.939 176.600 -0.041 0.000 1.002 443 K CA -0.665 55.626 56.287 0.007 0.000 0.868 443 K CB 0.746 33.287 32.500 0.069 0.000 1.093 443 K HN 0.053 nan 8.250 nan 0.000 0.454 444 K N 4.398 124.727 120.400 -0.120 0.000 2.482 444 K HA 0.233 4.553 4.320 -0.000 0.000 0.251 444 K C -1.531 174.857 176.600 -0.354 0.000 0.936 444 K CA -0.839 55.328 56.287 -0.199 0.000 0.791 444 K CB 1.664 34.028 32.500 -0.227 0.000 1.213 444 K HN 0.758 nan 8.250 nan 0.000 0.428 445 C N 5.925 124.924 119.300 -0.502 0.000 2.514 445 C HA 0.354 4.813 4.460 -0.000 0.000 0.392 445 C C 1.228 175.804 174.990 -0.690 0.000 1.294 445 C CA -0.505 57.920 59.018 -0.989 0.000 1.957 445 C CB -0.942 26.127 27.740 -1.118 0.000 2.541 445 C HN 0.927 nan 8.230 nan 0.000 0.569 446 L N 4.772 125.565 121.223 -0.716 0.000 2.664 446 L HA 0.149 4.489 4.340 -0.000 0.000 0.233 446 L C 1.906 178.443 176.870 -0.556 0.000 1.113 446 L CA 0.489 55.011 54.840 -0.530 0.000 0.896 446 L CB -0.269 41.483 42.059 -0.512 0.000 1.163 446 L HN 0.871 nan 8.230 nan 0.000 0.497 447 S N -2.911 112.359 115.700 -0.716 0.000 2.559 447 S HA 0.006 4.476 4.470 -0.000 0.000 0.226 447 S C 1.772 176.037 174.600 -0.558 0.000 1.030 447 S CA -0.155 57.544 58.200 -0.835 0.000 0.956 447 S CB -0.246 62.033 63.200 -1.535 0.000 0.900 447 S HN 0.281 nan 8.310 nan 0.000 0.510 448 C N 3.304 122.238 119.300 -0.611 0.000 2.376 448 C HA -0.136 4.324 4.460 -0.000 0.000 0.275 448 C C 2.465 177.257 174.990 -0.330 0.000 1.200 448 C CA 1.563 60.177 59.018 -0.674 0.000 1.756 448 C CB -0.930 26.175 27.740 -1.058 0.000 2.050 448 C HN 0.648 nan 8.230 nan 0.000 0.460 449 D N 0.604 120.852 120.400 -0.252 0.000 2.110 449 D HA -0.044 4.595 4.640 -0.000 0.000 0.202 449 D C 2.101 178.380 176.300 -0.035 0.000 0.975 449 D CA 0.693 54.629 54.000 -0.106 0.000 0.839 449 D CB -0.749 39.990 40.800 -0.103 0.000 0.996 449 D HN 0.439 nan 8.370 nan 0.000 0.464 450 L N -0.037 121.160 121.223 -0.042 0.000 2.239 450 L HA -0.304 4.036 4.340 -0.000 0.000 0.242 450 L C 0.412 177.321 176.870 0.065 0.000 1.130 450 L CA 1.865 56.725 54.840 0.033 0.000 0.852 450 L CB -0.744 41.358 42.059 0.072 0.000 0.959 450 L HN 0.061 nan 8.230 nan 0.000 0.447 451 N N -1.918 116.841 118.700 0.098 0.000 2.700 451 N HA 0.126 4.866 4.740 -0.000 0.000 0.242 451 N C -1.925 173.632 175.510 0.079 0.000 1.541 451 N CA -0.598 52.494 53.050 0.070 0.000 0.764 451 N CB 0.957 39.475 38.487 0.053 0.000 1.319 451 N HN 0.045 nan 8.380 nan 0.000 0.518 452 P HA -0.238 nan 4.420 nan 0.000 0.218 452 P C 0.308 177.658 177.300 0.083 0.000 1.146 452 P CA 1.570 64.741 63.100 0.119 0.000 0.820 452 P CB 0.527 32.301 31.700 0.123 0.000 0.778 453 E N 0.185 120.414 120.200 0.048 0.000 2.042 453 E HA -0.062 4.287 4.350 -0.000 0.000 0.189 453 E C 2.420 179.024 176.600 0.007 0.000 0.974 453 E CA 0.640 57.055 56.400 0.026 0.000 0.806 453 E CB -1.040 28.667 29.700 0.013 0.000 0.769 453 E HN 0.122 nan 8.360 nan 0.000 0.451 454 R N -0.048 120.446 120.500 -0.011 0.000 2.100 454 R HA 0.140 4.479 4.340 -0.000 0.000 0.220 454 R C -0.220 176.036 176.300 -0.073 0.000 1.091 454 R CA 0.787 56.857 56.100 -0.050 0.000 0.986 454 R CB 0.115 30.374 30.300 -0.068 0.000 0.888 454 R HN 0.237 nan 8.270 nan 0.000 0.444 455 c N 1.097 119.660 118.600 -0.061 0.000 2.281 455 c HA 0.430 4.999 4.570 -0.000 0.000 0.323 455 c C 0.442 174.501 174.090 -0.052 0.000 1.270 455 c CA -0.700 55.529 56.329 -0.167 0.000 1.559 455 c CB 1.286 43.629 42.510 -0.278 0.000 2.239 455 c HN 0.500 nan 8.230 nan 0.000 0.488 456 Q N 0.317 120.079 119.800 -0.063 0.000 2.089 456 Q HA 0.138 4.478 4.340 -0.000 0.000 0.227 456 Q C -0.857 175.208 176.000 0.108 0.000 0.774 456 Q CA 0.103 55.961 55.803 0.092 0.000 0.960 456 Q CB 1.279 30.084 28.738 0.112 0.000 1.179 456 Q HN 0.814 nan 8.270 nan 0.000 0.460 457 Y N 0.686 120.882 120.300 -0.173 0.000 2.526 457 Y HA 0.365 4.915 4.550 -0.000 0.000 0.328 457 Y C -1.348 174.422 175.900 -0.218 0.000 0.995 457 Y CA -0.950 57.082 58.100 -0.113 0.000 1.304 457 Y CB 0.594 39.002 38.460 -0.086 0.000 1.096 457 Y HN -0.079 nan 8.280 nan 0.000 0.499 458 Y N 2.181 122.396 120.300 -0.142 0.000 2.419 458 Y HA 0.558 5.107 4.550 -0.000 0.000 0.328 458 Y C 0.379 176.218 175.900 -0.100 0.000 1.162 458 Y CA -0.411 57.631 58.100 -0.096 0.000 1.174 458 Y CB 1.972 40.361 38.460 -0.119 0.000 1.228 458 Y HN 0.496 nan 8.280 nan 0.000 0.473 459 S N 1.508 117.314 115.700 0.177 0.000 2.568 459 S HA 0.850 5.320 4.470 -0.000 0.000 0.293 459 S C -1.529 173.171 174.600 0.168 0.000 1.089 459 S CA -0.617 57.671 58.200 0.146 0.000 0.945 459 S CB 1.773 65.083 63.200 0.184 0.000 1.077 459 S HN 0.637 nan 8.310 nan 0.000 0.485 460 V N 0.885 120.881 119.914 0.138 0.000 3.160 460 V HA 0.938 5.057 4.120 -0.000 0.000 0.310 460 V C -1.161 175.041 176.094 0.180 0.000 1.181 460 V CA -0.166 62.215 62.300 0.136 0.000 1.047 460 V CB 2.297 34.129 31.823 0.015 0.000 1.068 460 V HN 1.277 nan 8.190 nan 0.000 0.441 461 S N 3.113 118.953 115.700 0.233 0.000 2.382 461 S HA 0.527 4.997 4.470 -0.000 0.000 0.228 461 S C -1.424 173.416 174.600 0.399 0.000 0.996 461 S CA -0.482 57.911 58.200 0.322 0.000 1.094 461 S CB 0.345 63.768 63.200 0.373 0.000 1.209 461 S HN 0.620 nan 8.310 nan 0.000 0.420 462 L N 3.699 124.996 121.223 0.124 0.000 2.399 462 L HA 0.575 4.915 4.340 -0.000 0.000 0.266 462 L C 1.177 177.692 176.870 -0.591 0.000 1.114 462 L CA -0.092 54.669 54.840 -0.131 0.000 0.804 462 L CB 1.189 43.082 42.059 -0.276 0.000 1.146 462 L HN 0.748 nan 8.230 nan 0.000 0.451 463 S N 0.802 115.833 115.700 -1.116 0.000 2.608 463 S HA 0.179 4.649 4.470 -0.000 0.000 0.261 463 S C 1.157 175.426 174.600 -0.552 0.000 1.314 463 S CA -0.607 56.647 58.200 -1.577 0.000 0.992 463 S CB 0.560 62.907 63.200 -1.421 0.000 0.935 463 S HN 0.487 nan 8.310 nan 0.000 0.564 464 K N 1.150 121.383 120.400 -0.277 0.000 2.097 464 K HA -0.184 4.136 4.320 -0.000 0.000 0.214 464 K C 1.101 177.669 176.600 -0.055 0.000 1.052 464 K CA 2.156 58.404 56.287 -0.065 0.000 0.932 464 K CB -0.579 31.938 32.500 0.028 0.000 0.716 464 K HN 0.823 nan 8.250 nan 0.000 0.455 465 E N -1.167 118.987 120.200 -0.077 0.000 2.685 465 E HA 0.314 4.664 4.350 -0.000 0.000 0.208 465 E C -0.435 176.123 176.600 -0.071 0.000 0.996 465 E CA 0.233 56.612 56.400 -0.036 0.000 1.054 465 E CB 0.637 30.338 29.700 0.002 0.000 1.075 465 E HN 0.281 nan 8.360 nan 0.000 0.460 466 A N 1.465 124.184 122.820 -0.167 0.000 2.872 466 A HA -0.300 4.020 4.320 -0.000 0.000 0.273 466 A C 1.332 178.808 177.584 -0.180 0.000 1.442 466 A CA 1.448 53.352 52.037 -0.223 0.000 0.801 466 A CB -1.945 16.930 19.000 -0.207 0.000 1.031 466 A HN 0.324 nan 8.150 nan 0.000 0.582 467 K N -1.748 118.514 120.400 -0.231 0.000 2.228 467 K HA 0.133 4.452 4.320 -0.000 0.000 0.202 467 K C 0.174 176.356 176.600 -0.697 0.000 1.051 467 K CA 1.432 57.474 56.287 -0.408 0.000 0.960 467 K CB 0.021 32.266 32.500 -0.425 0.000 0.743 467 K HN 0.711 nan 8.250 nan 0.000 0.458 468 Y N -1.183 119.016 120.300 -0.168 0.000 2.638 468 Y HA 0.335 4.885 4.550 -0.001 0.000 0.339 468 Y C -1.130 174.747 175.900 -0.038 0.000 1.084 468 Y CA -1.433 56.610 58.100 -0.095 0.000 1.068 468 Y CB 1.550 40.033 38.460 0.038 0.000 1.294 468 Y HN -0.033 nan 8.280 nan 0.000 0.480 469 Y N -0.778 119.669 120.300 0.246 0.000 2.390 469 Y HA 0.395 4.945 4.550 -0.000 0.000 0.324 469 Y C -1.259 174.821 175.900 0.301 0.000 1.151 469 Y CA -1.461 56.746 58.100 0.179 0.000 1.053 469 Y CB 1.031 39.458 38.460 -0.056 0.000 1.277 469 Y HN 0.599 nan 8.280 nan 0.000 0.432 470 Q N 4.564 124.682 119.800 0.531 0.000 2.261 470 Q HA 0.502 4.841 4.340 -0.000 0.000 0.252 470 Q C -1.576 174.652 176.000 0.380 0.000 0.915 470 Q CA -0.453 55.576 55.803 0.377 0.000 0.915 470 Q CB 1.355 30.242 28.738 0.249 0.000 1.204 470 Q HN 1.016 nan 8.270 nan 0.000 0.421 471 L N 2.010 123.442 121.223 0.349 0.000 2.329 471 L HA 0.580 4.920 4.340 -0.000 0.000 0.279 471 L C 0.204 177.229 176.870 0.257 0.000 1.014 471 L CA -0.827 54.195 54.840 0.303 0.000 0.814 471 L CB 2.112 44.327 42.059 0.261 0.000 1.257 471 L HN 0.782 nan 8.230 nan 0.000 0.424 472 G N 1.439 110.365 108.800 0.211 0.000 2.671 472 G HA2 0.290 4.250 3.960 -0.000 0.000 0.318 472 G HA3 0.290 4.250 3.960 -0.000 0.000 0.318 472 G C -0.662 174.108 174.900 -0.216 0.000 1.250 472 G CA -0.295 44.750 45.100 -0.092 0.000 1.028 472 G HN 0.677 nan 8.290 nan 0.000 0.501 473 c N 5.145 123.463 118.600 -0.470 0.000 2.416 473 c HA 0.489 5.058 4.570 -0.000 0.000 0.355 473 c C 1.231 175.077 174.090 -0.406 0.000 1.211 473 c CA -0.826 55.139 56.329 -0.605 0.000 1.699 473 c CB -0.344 41.848 42.510 -0.530 0.000 2.310 473 c HN 0.712 nan 8.230 nan 0.000 0.539 474 R N 3.975 124.352 120.500 -0.205 0.000 2.312 474 R HA 0.209 4.548 4.340 -0.000 0.000 0.205 474 R C 1.519 177.808 176.300 -0.017 0.000 0.904 474 R CA 0.465 56.553 56.100 -0.020 0.000 1.052 474 R CB -1.138 29.252 30.300 0.151 0.000 1.014 474 R HN 0.920 nan 8.270 nan 0.000 0.503 475 G N 2.752 111.492 108.800 -0.100 0.000 3.483 475 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.255 475 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.255 475 G C -1.464 173.428 174.900 -0.014 0.000 1.284 475 G CA -0.544 44.515 45.100 -0.070 0.000 0.913 475 G HN 0.035 nan 8.290 nan 0.000 0.633 476 P HA -0.117 nan 4.420 nan 0.000 0.217 476 P C 1.455 178.775 177.300 0.033 0.000 1.158 476 P CA 1.899 65.022 63.100 0.039 0.000 0.887 476 P CB -0.154 31.560 31.700 0.022 0.000 0.792 477 G N -1.298 107.454 108.800 -0.080 0.000 2.563 477 G HA2 0.371 4.330 3.960 -0.000 0.000 0.283 477 G HA3 0.371 4.330 3.960 -0.000 0.000 0.283 477 G C -0.540 174.090 174.900 -0.451 0.000 1.309 477 G CA -0.702 44.265 45.100 -0.221 0.000 1.022 477 G HN 0.043 nan 8.290 nan 0.000 0.501 478 L N 2.029 122.876 121.223 -0.625 0.000 2.578 478 L HA 0.112 4.452 4.340 -0.000 0.000 0.279 478 L C -1.513 175.161 176.870 -0.328 0.000 1.227 478 L CA -1.073 53.350 54.840 -0.695 0.000 0.900 478 L CB 0.149 41.933 42.059 -0.460 0.000 1.144 478 L HN 0.330 nan 8.230 nan 0.000 0.496 479 P HA -0.015 nan 4.420 nan 0.000 0.264 479 P C -0.838 176.364 177.300 -0.164 0.000 1.183 479 P CA -0.105 62.908 63.100 -0.145 0.000 0.763 479 P CB 1.050 32.773 31.700 0.039 0.000 0.807 480 L N 5.391 126.420 121.223 -0.322 0.000 2.376 480 L HA 0.459 4.798 4.340 -0.000 0.000 0.275 480 L C -1.427 175.236 176.870 -0.345 0.000 0.987 480 L CA -0.895 53.820 54.840 -0.208 0.000 0.828 480 L CB 1.049 43.034 42.059 -0.123 0.000 1.249 480 L HN 0.181 nan 8.230 nan 0.000 0.409 481 Y N 2.798 123.098 120.300 0.001 0.000 2.335 481 Y HA 0.736 5.286 4.550 -0.000 0.000 0.338 481 Y C 0.344 176.197 175.900 -0.078 0.000 0.977 481 Y CA -0.543 57.555 58.100 -0.004 0.000 1.114 481 Y CB 2.048 40.498 38.460 -0.015 0.000 1.182 481 Y HN 0.653 nan 8.280 nan 0.000 0.463 482 T N 2.066 116.685 114.554 0.108 0.000 2.933 482 T HA 0.669 5.019 4.350 -0.000 0.000 0.305 482 T C -1.068 173.678 174.700 0.076 0.000 1.092 482 T CA -0.980 61.126 62.100 0.009 0.000 1.008 482 T CB 1.281 70.159 68.868 0.017 0.000 1.102 482 T HN 0.701 nan 8.240 nan 0.000 0.469 483 L N 1.313 122.486 121.223 -0.084 0.000 2.325 483 L HA 0.924 5.264 4.340 -0.000 0.000 0.278 483 L C -1.317 175.457 176.870 -0.160 0.000 1.023 483 L CA -0.806 54.056 54.840 0.037 0.000 0.811 483 L CB 1.186 43.263 42.059 0.029 0.000 1.249 483 L HN 0.805 nan 8.230 nan 0.000 0.431 484 H N 1.060 119.958 119.070 -0.286 0.000 2.797 484 H HA 0.556 5.112 4.556 -0.000 0.000 0.372 484 H C -0.896 174.239 175.328 -0.321 0.000 1.168 484 H CA -0.858 54.936 56.048 -0.422 0.000 1.163 484 H CB 1.360 30.604 29.762 -0.863 0.000 1.778 484 H HN 0.679 nan 8.280 nan 0.000 0.551 485 R N 0.249 120.712 120.500 -0.061 0.000 2.221 485 R HA 0.390 4.730 4.340 -0.000 0.000 0.327 485 R C 0.642 176.866 176.300 -0.127 0.000 1.033 485 R CA -0.302 55.753 56.100 -0.074 0.000 0.887 485 R CB 1.232 31.514 30.300 -0.030 0.000 1.057 485 R HN 0.539 nan 8.270 nan 0.000 0.455 486 S N 2.643 118.261 115.700 -0.137 0.000 2.372 486 S HA -0.215 4.255 4.470 -0.000 0.000 0.227 486 S C 1.183 175.850 174.600 0.113 0.000 1.044 486 S CA 2.309 60.572 58.200 0.104 0.000 1.050 486 S CB -0.351 62.889 63.200 0.067 0.000 0.901 486 S HN 0.859 nan 8.310 nan 0.000 0.447 487 T N 1.579 116.145 114.554 0.020 0.000 2.592 487 T HA -0.218 4.131 4.350 -0.000 0.000 0.267 487 T C 1.207 175.936 174.700 0.049 0.000 1.060 487 T CA 1.979 64.105 62.100 0.044 0.000 1.167 487 T CB -0.685 68.184 68.868 0.001 0.000 0.863 487 T HN 0.861 nan 8.240 nan 0.000 0.431 488 D N -0.284 120.133 120.400 0.029 0.000 2.479 488 D HA 0.276 4.916 4.640 -0.000 0.000 0.218 488 D C 0.374 176.695 176.300 0.035 0.000 1.177 488 D CA -0.258 53.757 54.000 0.024 0.000 0.830 488 D CB -0.220 40.588 40.800 0.012 0.000 1.014 488 D HN 0.216 nan 8.370 nan 0.000 0.503 489 Q N -0.343 119.497 119.800 0.067 0.000 2.452 489 Q HA -0.272 4.067 4.340 -0.000 0.000 0.248 489 Q C -0.186 175.880 176.000 0.109 0.000 0.874 489 Q CA 1.165 57.035 55.803 0.113 0.000 1.208 489 Q CB -1.813 26.990 28.738 0.109 0.000 1.569 489 Q HN 0.547 nan 8.270 nan 0.000 0.579 490 K N 1.700 122.123 120.400 0.038 0.000 2.412 490 K HA 0.061 4.381 4.320 -0.000 0.000 0.284 490 K C -0.199 176.359 176.600 -0.070 0.000 1.046 490 K CA -0.000 56.288 56.287 0.002 0.000 0.999 490 K CB 0.461 32.953 32.500 -0.014 0.000 0.941 490 K HN 0.251 nan 8.250 nan 0.000 0.474 491 E N 5.652 125.761 120.200 -0.152 0.000 2.238 491 E HA -0.045 4.305 4.350 -0.000 0.000 0.264 491 E C 0.646 177.083 176.600 -0.271 0.000 1.136 491 E CA -0.158 55.958 56.400 -0.473 0.000 0.929 491 E CB 0.384 29.827 29.700 -0.428 0.000 1.010 491 E HN 0.688 nan 8.360 nan 0.000 0.440 492 L N 4.818 125.895 121.223 -0.244 0.000 2.093 492 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 492 L C 1.211 178.004 176.870 -0.129 0.000 1.085 492 L CA 1.081 55.843 54.840 -0.129 0.000 0.755 492 L CB -0.592 41.422 42.059 -0.075 0.000 0.904 492 L HN 0.635 nan 8.230 nan 0.000 0.435 493 R N -2.540 117.852 120.500 -0.180 0.000 3.012 493 R HA 0.356 4.696 4.340 -0.000 0.000 0.287 493 R C -1.694 174.498 176.300 -0.181 0.000 0.990 493 R CA -0.954 55.058 56.100 -0.147 0.000 0.839 493 R CB 1.072 31.312 30.300 -0.101 0.000 1.317 493 R HN -0.288 nan 8.270 nan 0.000 0.518 494 V N 2.668 122.495 119.914 -0.146 0.000 2.406 494 V HA 0.217 4.337 4.120 -0.000 0.000 0.272 494 V C 1.365 177.333 176.094 -0.209 0.000 1.043 494 V CA -0.504 61.710 62.300 -0.143 0.000 0.915 494 V CB 1.179 32.950 31.823 -0.086 0.000 0.988 494 V HN 0.628 nan 8.190 nan 0.000 0.466 495 L N 2.579 123.611 121.223 -0.319 0.000 2.162 495 L HA 0.234 4.574 4.340 -0.000 0.000 0.205 495 L C 0.748 177.356 176.870 -0.436 0.000 1.086 495 L CA 0.838 55.273 54.840 -0.675 0.000 0.778 495 L CB 0.170 41.484 42.059 -1.242 0.000 0.928 495 L HN 0.713 nan 8.230 nan 0.000 0.446 496 E N 0.735 120.852 120.200 -0.138 0.000 2.406 496 E HA 0.142 4.492 4.350 -0.000 0.000 0.297 496 E C -1.933 174.736 176.600 0.115 0.000 0.917 496 E CA -0.666 55.759 56.400 0.043 0.000 0.795 496 E CB 1.055 30.836 29.700 0.136 0.000 1.285 496 E HN 0.155 nan 8.360 nan 0.000 0.400 497 D N 3.050 123.487 120.400 0.062 0.000 2.549 497 D HA 0.221 4.861 4.640 -0.000 0.000 0.251 497 D C -0.717 175.607 176.300 0.039 0.000 1.153 497 D CA -0.732 53.290 54.000 0.036 0.000 0.861 497 D CB 0.847 41.647 40.800 -0.000 0.000 1.207 497 D HN 0.381 nan 8.370 nan 0.000 0.543 498 N N 0.977 119.699 118.700 0.037 0.000 2.991 498 N HA -0.061 4.679 4.740 -0.000 0.000 0.324 498 N C 1.406 176.920 175.510 0.007 0.000 1.208 498 N CA 0.141 53.212 53.050 0.034 0.000 1.190 498 N CB 0.124 38.626 38.487 0.024 0.000 1.443 498 N HN 0.453 nan 8.380 nan 0.000 0.542 499 S N -0.779 114.930 115.700 0.015 0.000 2.402 499 S HA -0.141 4.329 4.470 -0.000 0.000 0.229 499 S C 2.035 176.649 174.600 0.024 0.000 1.021 499 S CA 0.596 58.801 58.200 0.008 0.000 0.974 499 S CB -0.129 63.078 63.200 0.012 0.000 0.800 499 S HN 0.454 nan 8.310 nan 0.000 0.484 500 A N 2.116 124.962 122.820 0.044 0.000 1.873 500 A HA 0.141 4.461 4.320 -0.000 0.000 0.215 500 A C 2.220 179.850 177.584 0.076 0.000 1.186 500 A CA 1.442 53.517 52.037 0.062 0.000 0.616 500 A CB -0.921 18.123 19.000 0.074 0.000 0.823 500 A HN 0.527 nan 8.150 nan 0.000 0.442 501 L N 0.312 121.583 121.223 0.079 0.000 2.083 501 L HA -0.175 4.165 4.340 -0.000 0.000 0.209 501 L C 1.932 178.819 176.870 0.028 0.000 1.083 501 L CA 2.697 57.594 54.840 0.094 0.000 0.752 501 L CB -0.643 41.473 42.059 0.094 0.000 0.899 501 L HN 0.494 nan 8.230 nan 0.000 0.433 502 D N -0.201 120.195 120.400 -0.007 0.000 2.097 502 D HA -0.238 4.402 4.640 -0.000 0.000 0.195 502 D C 2.001 178.289 176.300 -0.019 0.000 0.989 502 D CA 1.466 55.442 54.000 -0.040 0.000 0.827 502 D CB 0.129 40.901 40.800 -0.045 0.000 0.966 502 D HN 0.448 nan 8.370 nan 0.000 0.456 503 K N -0.316 120.091 120.400 0.012 0.000 2.097 503 K HA -0.087 4.233 4.320 -0.000 0.000 0.206 503 K C 2.403 179.027 176.600 0.040 0.000 1.049 503 K CA 1.066 57.368 56.287 0.025 0.000 0.933 503 K CB -0.063 32.460 32.500 0.039 0.000 0.717 503 K HN 0.248 nan 8.250 nan 0.000 0.442 504 M N 0.520 120.160 119.600 0.068 0.000 2.175 504 M HA -0.100 4.380 4.480 -0.000 0.000 0.264 504 M C 1.815 178.106 176.300 -0.014 0.000 1.063 504 M CA 1.343 56.714 55.300 0.119 0.000 1.119 504 M CB -0.193 32.578 32.600 0.286 0.000 1.377 504 M HN 0.103 nan 8.290 nan 0.000 0.415 505 L N 0.017 121.165 121.223 -0.125 0.000 2.622 505 L HA -0.118 4.222 4.340 -0.000 0.000 0.233 505 L C 2.395 179.199 176.870 -0.111 0.000 1.156 505 L CA 0.172 54.875 54.840 -0.228 0.000 0.866 505 L CB -0.592 41.335 42.059 -0.220 0.000 0.980 505 L HN 0.363 nan 8.230 nan 0.000 0.448 506 Q N 0.332 120.104 119.800 -0.048 0.000 2.046 506 Q HA -0.138 4.202 4.340 -0.000 0.000 0.200 506 Q C 1.034 177.035 176.000 0.002 0.000 0.975 506 Q CA 1.264 57.056 55.803 -0.018 0.000 0.836 506 Q CB -0.151 28.588 28.738 0.002 0.000 0.896 506 Q HN 0.557 nan 8.270 nan 0.000 0.428 507 D N 0.497 120.910 120.400 0.022 0.000 2.344 507 D HA 0.070 4.710 4.640 -0.000 0.000 0.242 507 D C -0.215 176.118 176.300 0.055 0.000 1.159 507 D CA 0.141 54.170 54.000 0.049 0.000 0.859 507 D CB 0.551 41.396 40.800 0.074 0.000 0.925 507 D HN -0.053 nan 8.370 nan 0.000 0.510 508 V N 0.740 120.662 119.914 0.013 0.000 2.638 508 V HA 0.130 4.250 4.120 -0.000 0.000 0.306 508 V C 0.023 176.114 176.094 -0.005 0.000 1.052 508 V CA -0.961 61.350 62.300 0.019 0.000 0.885 508 V CB 2.532 34.328 31.823 -0.045 0.000 0.999 508 V HN -0.128 nan 8.190 nan 0.000 0.424 509 Q N 4.488 124.300 119.800 0.020 0.000 2.513 509 Q HA 0.318 4.657 4.340 -0.000 0.000 0.227 509 Q C -0.327 175.640 176.000 -0.056 0.000 1.257 509 Q CA -0.078 55.705 55.803 -0.033 0.000 0.915 509 Q CB 0.400 29.125 28.738 -0.022 0.000 1.507 509 Q HN 0.542 nan 8.270 nan 0.000 0.543 510 M N 3.757 123.307 119.600 -0.084 0.000 2.255 510 M HA 0.355 4.835 4.480 -0.000 0.000 0.336 510 M C -1.947 174.282 176.300 -0.119 0.000 1.135 510 M CA -2.033 53.208 55.300 -0.099 0.000 1.145 510 M CB 0.195 32.733 32.600 -0.104 0.000 1.473 510 M HN 0.315 nan 8.290 nan 0.000 0.462 511 P HA 0.305 nan 4.420 nan 0.000 0.281 511 P C -0.984 176.240 177.300 -0.127 0.000 1.281 511 P CA -0.406 62.606 63.100 -0.145 0.000 0.811 511 P CB 0.816 32.420 31.700 -0.159 0.000 1.154 512 S N -1.014 114.599 115.700 -0.145 0.000 2.664 512 S HA 0.582 5.052 4.470 -0.000 0.000 0.304 512 S C -0.511 174.010 174.600 -0.131 0.000 1.099 512 S CA -0.811 57.321 58.200 -0.112 0.000 1.003 512 S CB 1.725 64.865 63.200 -0.100 0.000 1.092 512 S HN 0.498 nan 8.310 nan 0.000 0.525 513 K N 0.855 121.205 120.400 -0.084 0.000 2.413 513 K HA 0.373 4.693 4.320 -0.000 0.000 0.257 513 K C -1.178 175.386 176.600 -0.060 0.000 0.946 513 K CA -0.493 55.748 56.287 -0.078 0.000 0.823 513 K CB 1.175 33.649 32.500 -0.043 0.000 1.109 513 K HN 0.726 nan 8.250 nan 0.000 0.427 514 K N 4.933 125.286 120.400 -0.078 0.000 2.185 514 K HA 0.295 4.614 4.320 -0.000 0.000 0.269 514 K C -1.433 175.139 176.600 -0.046 0.000 0.987 514 K CA -0.824 55.428 56.287 -0.057 0.000 0.865 514 K CB 0.924 33.378 32.500 -0.077 0.000 1.090 514 K HN 0.431 nan 8.250 nan 0.000 0.450 515 L N 4.705 125.915 121.223 -0.021 0.000 2.353 515 L HA 0.450 4.790 4.340 -0.000 0.000 0.270 515 L C -1.182 175.704 176.870 0.026 0.000 1.003 515 L CA 0.060 54.917 54.840 0.029 0.000 0.862 515 L CB 0.919 43.066 42.059 0.147 0.000 1.221 515 L HN 0.767 nan 8.230 nan 0.000 0.430 516 D N 2.789 122.954 120.400 -0.392 0.000 2.898 516 D HA 0.547 5.187 4.640 -0.000 0.000 0.266 516 D C -1.457 174.397 176.300 -0.744 0.000 1.173 516 D CA -0.013 53.669 54.000 -0.529 0.000 1.078 516 D CB 2.148 42.645 40.800 -0.505 0.000 1.326 516 D HN 0.240 nan 8.370 nan 0.000 0.622 517 F N -0.324 119.205 119.950 -0.701 0.000 2.619 517 F HA 0.587 5.113 4.527 -0.000 0.000 0.308 517 F C -1.491 174.366 175.800 0.095 0.000 1.097 517 F CA -0.977 56.752 58.000 -0.452 0.000 0.953 517 F CB 0.895 39.122 39.000 -1.287 0.000 1.287 517 F HN 0.022 nan 8.300 nan 0.000 0.446 518 I N 2.455 123.328 120.570 0.504 0.000 2.947 518 I HA 0.633 4.803 4.170 -0.000 0.000 0.314 518 I C -0.896 175.508 176.117 0.477 0.000 1.028 518 I CA -1.227 60.300 61.300 0.378 0.000 1.077 518 I CB 1.977 40.191 38.000 0.357 0.000 1.274 518 I HN 0.702 nan 8.210 nan 0.000 0.485 519 V N 5.996 126.113 119.914 0.339 0.000 2.482 519 V HA 0.520 4.640 4.120 -0.000 0.000 0.295 519 V C -1.150 175.113 176.094 0.281 0.000 1.026 519 V CA -0.346 62.161 62.300 0.344 0.000 0.856 519 V CB 1.578 33.569 31.823 0.280 0.000 1.001 519 V HN 0.496 nan 8.190 nan 0.000 0.424 520 L N 5.690 127.146 121.223 0.389 0.000 2.334 520 L HA 0.642 4.982 4.340 -0.000 0.000 0.276 520 L C 0.571 177.603 176.870 0.271 0.000 1.014 520 L CA -1.035 53.973 54.840 0.280 0.000 0.815 520 L CB 1.726 43.934 42.059 0.250 0.000 1.268 520 L HN 0.692 nan 8.230 nan 0.000 0.428 521 N N 2.703 121.502 118.700 0.165 0.000 2.701 521 N HA -0.234 4.506 4.740 -0.000 0.000 0.257 521 N C -0.167 175.421 175.510 0.130 0.000 0.969 521 N CA 1.222 54.352 53.050 0.133 0.000 0.786 521 N CB -0.892 37.675 38.487 0.133 0.000 0.917 521 N HN 0.738 nan 8.380 nan 0.000 0.541 522 E N -4.549 115.721 120.200 0.118 0.000 3.413 522 E HA -0.197 4.153 4.350 -0.000 0.000 0.300 522 E C -0.589 176.051 176.600 0.067 0.000 0.891 522 E CA 1.267 57.718 56.400 0.086 0.000 1.050 522 E CB -2.156 27.581 29.700 0.062 0.000 1.534 522 E HN 0.539 nan 8.360 nan 0.000 0.436 523 T N 0.602 115.211 114.554 0.092 0.000 2.893 523 T HA 0.465 4.815 4.350 -0.000 0.000 0.293 523 T C 0.208 174.824 174.700 -0.139 0.000 1.027 523 T CA -0.801 61.258 62.100 -0.069 0.000 0.988 523 T CB 1.967 70.734 68.868 -0.170 0.000 1.043 523 T HN 0.005 nan 8.240 nan 0.000 0.461 524 R N 1.448 121.789 120.500 -0.264 0.000 2.490 524 R HA 0.450 4.790 4.340 -0.000 0.000 0.280 524 R C -1.080 174.994 176.300 -0.377 0.000 1.077 524 R CA 0.002 55.964 56.100 -0.230 0.000 1.065 524 R CB 0.452 30.484 30.300 -0.446 0.000 1.003 524 R HN 0.531 nan 8.270 nan 0.000 0.470 525 F N 1.925 122.016 119.950 0.235 0.000 2.745 525 F HA 0.210 4.737 4.527 -0.000 0.000 0.343 525 F C -0.680 175.330 175.800 0.350 0.000 1.196 525 F CA -0.816 57.343 58.000 0.266 0.000 1.021 525 F CB 0.951 40.151 39.000 0.333 0.000 1.297 525 F HN 0.422 nan 8.300 nan 0.000 0.486 526 W N 3.822 125.309 121.300 0.313 0.000 2.150 526 W HA 0.402 5.062 4.660 -0.000 0.000 0.341 526 W C -0.271 176.485 176.519 0.395 0.000 1.276 526 W CA -0.300 57.242 57.345 0.328 0.000 1.238 526 W CB 0.291 29.855 29.460 0.175 0.000 1.128 526 W HN 0.441 nan 8.180 nan 0.000 0.581 527 Y N -0.591 120.066 120.300 0.595 0.000 2.644 527 Y HA 0.685 5.235 4.550 -0.000 0.000 0.338 527 Y C -1.031 175.111 175.900 0.404 0.000 1.119 527 Y CA -1.955 56.488 58.100 0.572 0.000 1.060 527 Y CB 1.149 40.101 38.460 0.820 0.000 1.294 527 Y HN 0.549 nan 8.280 nan 0.000 0.472 528 Q N 1.698 121.787 119.800 0.481 0.000 2.379 528 Q HA 0.757 5.097 4.340 -0.000 0.000 0.278 528 Q C -1.911 174.229 176.000 0.234 0.000 1.068 528 Q CA -1.118 54.822 55.803 0.229 0.000 0.816 528 Q CB 3.292 32.126 28.738 0.160 0.000 1.387 528 Q HN 0.849 nan 8.270 nan 0.000 0.413 529 M N 2.378 122.027 119.600 0.083 0.000 2.393 529 M HA 0.461 4.941 4.480 -0.000 0.000 0.299 529 M C -1.250 174.971 176.300 -0.132 0.000 1.103 529 M CA -0.938 54.331 55.300 -0.050 0.000 0.910 529 M CB 2.270 34.784 32.600 -0.144 0.000 1.659 529 M HN 0.600 nan 8.290 nan 0.000 0.445 530 I N 5.020 125.500 120.570 -0.150 0.000 2.307 530 I HA 0.339 4.509 4.170 -0.000 0.000 0.287 530 I C -0.444 175.491 176.117 -0.303 0.000 1.054 530 I CA -0.308 60.882 61.300 -0.183 0.000 1.218 530 I CB 0.131 38.054 38.000 -0.129 0.000 1.398 530 I HN 0.635 nan 8.210 nan 0.000 0.475 531 L N 8.645 129.625 121.223 -0.405 0.000 2.305 531 L HA 0.391 4.731 4.340 -0.000 0.000 0.281 531 L C -1.899 174.718 176.870 -0.422 0.000 1.085 531 L CA -1.733 52.726 54.840 -0.635 0.000 0.813 531 L CB 0.797 42.308 42.059 -0.913 0.000 1.157 531 L HN 0.288 nan 8.230 nan 0.000 0.436 532 P HA 0.084 nan 4.420 nan 0.000 0.269 532 P C -2.311 174.901 177.300 -0.147 0.000 1.215 532 P CA -1.026 61.945 63.100 -0.214 0.000 0.780 532 P CB 0.224 31.839 31.700 -0.140 0.000 0.898 533 P HA -0.243 nan 4.420 nan 0.000 0.239 533 P C 0.851 178.007 177.300 -0.240 0.000 0.787 533 P CA 1.774 64.715 63.100 -0.264 0.000 1.114 533 P CB -0.654 30.832 31.700 -0.357 0.000 0.735 534 H N -1.642 117.467 119.070 0.065 0.000 3.262 534 H HA 0.078 4.633 4.556 -0.000 0.000 0.270 534 H C 0.311 175.706 175.328 0.111 0.000 1.431 534 H CA -0.503 55.587 56.048 0.070 0.000 1.237 534 H CB -1.852 27.941 29.762 0.051 0.000 1.443 534 H HN 0.098 nan 8.280 nan 0.000 0.609 535 F N 2.864 122.797 119.950 -0.027 0.000 2.512 535 F HA -0.120 4.407 4.527 -0.000 0.000 0.406 535 F C 0.355 176.158 175.800 0.005 0.000 0.990 535 F CA -0.349 57.590 58.000 -0.102 0.000 1.137 535 F CB 0.214 39.035 39.000 -0.299 0.000 0.960 535 F HN 0.169 nan 8.300 nan 0.000 0.533 536 D N 5.369 125.534 120.400 -0.392 0.000 2.460 536 D HA 0.162 4.801 4.640 -0.000 0.000 0.232 536 D C 0.824 176.767 176.300 -0.594 0.000 1.079 536 D CA -0.483 53.282 54.000 -0.391 0.000 0.864 536 D CB 1.108 41.854 40.800 -0.090 0.000 1.048 536 D HN 0.597 nan 8.370 nan 0.000 0.523 537 K N 1.471 121.426 120.400 -0.742 0.000 2.442 537 K HA -0.158 4.162 4.320 -0.000 0.000 0.200 537 K C 1.443 178.019 176.600 -0.040 0.000 1.045 537 K CA 1.581 57.622 56.287 -0.411 0.000 0.937 537 K CB 0.149 32.531 32.500 -0.198 0.000 0.757 537 K HN 0.475 nan 8.250 nan 0.000 0.474 538 S N -0.873 114.782 115.700 -0.075 0.000 2.486 538 S HA 0.088 4.558 4.470 -0.000 0.000 0.220 538 S C 0.693 175.284 174.600 -0.015 0.000 1.011 538 S CA -0.148 58.039 58.200 -0.022 0.000 0.921 538 S CB 0.223 63.398 63.200 -0.043 0.000 0.785 538 S HN 0.087 nan 8.310 nan 0.000 0.517 539 K N 0.941 121.322 120.400 -0.033 0.000 2.318 539 K HA 0.389 4.709 4.320 -0.000 0.000 0.243 539 K C -0.403 176.168 176.600 -0.049 0.000 1.047 539 K CA -0.477 55.744 56.287 -0.110 0.000 0.937 539 K CB 0.339 32.669 32.500 -0.284 0.000 1.225 539 K HN 0.001 nan 8.250 nan 0.000 0.506 540 K N 1.471 121.753 120.400 -0.197 0.000 2.376 540 K HA 0.324 4.644 4.320 -0.000 0.000 0.257 540 K C -1.224 175.241 176.600 -0.226 0.000 0.939 540 K CA -0.480 55.759 56.287 -0.080 0.000 0.809 540 K CB 1.237 33.688 32.500 -0.082 0.000 1.121 540 K HN 0.422 nan 8.250 nan 0.000 0.425 541 Y N 1.938 122.277 120.300 0.064 0.000 2.524 541 Y HA 0.371 4.921 4.550 -0.000 0.000 0.344 541 Y C -1.977 173.863 175.900 -0.101 0.000 1.012 541 Y CA -2.358 55.745 58.100 0.005 0.000 1.068 541 Y CB 1.540 40.053 38.460 0.089 0.000 1.249 541 Y HN 0.413 nan 8.280 nan 0.000 0.468 542 P HA 0.178 nan 4.420 nan 0.000 0.278 542 P C -1.218 175.980 177.300 -0.170 0.000 1.238 542 P CA -0.222 62.636 63.100 -0.404 0.000 0.794 542 P CB 1.727 32.811 31.700 -1.025 0.000 0.955 543 L N 3.744 124.916 121.223 -0.085 0.000 2.341 543 L HA 0.547 4.887 4.340 -0.000 0.000 0.278 543 L C -1.180 175.869 176.870 0.298 0.000 1.005 543 L CA -0.870 54.031 54.840 0.102 0.000 0.818 543 L CB 1.369 43.487 42.059 0.098 0.000 1.259 543 L HN 0.174 nan 8.230 nan 0.000 0.418 544 L N 6.303 127.708 121.223 0.303 0.000 2.342 544 L HA 0.566 4.906 4.340 -0.000 0.000 0.276 544 L C -1.097 176.016 176.870 0.405 0.000 0.997 544 L CA -0.258 54.821 54.840 0.399 0.000 0.838 544 L CB 1.117 43.371 42.059 0.326 0.000 1.224 544 L HN 0.416 nan 8.230 nan 0.000 0.416 545 I N 4.173 125.035 120.570 0.487 0.000 2.416 545 I HA 0.215 4.385 4.170 -0.000 0.000 0.288 545 I C 0.116 176.504 176.117 0.451 0.000 1.051 545 I CA 0.001 61.581 61.300 0.466 0.000 1.375 545 I CB 0.954 39.257 38.000 0.504 0.000 1.407 545 I HN 0.615 nan 8.210 nan 0.000 0.516 546 D N 7.110 127.742 120.400 0.388 0.000 2.274 546 D HA 0.448 5.088 4.640 -0.000 0.000 0.239 546 D C -0.741 175.656 176.300 0.162 0.000 1.104 546 D CA -0.124 54.038 54.000 0.269 0.000 0.840 546 D CB 1.499 42.507 40.800 0.347 0.000 1.100 546 D HN 0.239 nan 8.370 nan 0.000 0.477 547 V N 2.666 122.586 119.914 0.010 0.000 3.001 547 V HA 0.545 4.664 4.120 -0.000 0.000 0.314 547 V C -0.519 175.681 176.094 0.176 0.000 1.099 547 V CA -0.736 61.632 62.300 0.113 0.000 0.989 547 V CB 1.703 33.589 31.823 0.105 0.000 1.040 547 V HN 0.665 nan 8.190 nan 0.000 0.434 548 Y N 1.823 122.199 120.300 0.127 0.000 3.140 548 Y HA 0.554 5.104 4.550 -0.000 0.000 0.142 548 Y C 1.521 177.587 175.900 0.276 0.000 0.918 548 Y CA 1.352 59.568 58.100 0.193 0.000 1.896 548 Y CB -0.203 38.339 38.460 0.137 0.000 1.328 548 Y HN 1.317 nan 8.280 nan 0.000 0.257 549 A N 1.170 124.104 122.820 0.191 0.000 2.860 549 A HA -0.092 4.228 4.320 -0.000 0.000 0.267 549 A C 0.817 178.253 177.584 -0.246 0.000 1.421 549 A CA 1.128 53.209 52.037 0.074 0.000 0.831 549 A CB -2.298 16.799 19.000 0.160 0.000 1.041 549 A HN 1.114 nan 8.150 nan 0.000 0.623 550 G N -1.069 107.327 108.800 -0.673 0.000 2.616 550 G HA2 0.509 4.469 3.960 -0.000 0.000 0.268 550 G HA3 0.509 4.469 3.960 -0.000 0.000 0.268 550 G C -2.341 172.188 174.900 -0.618 0.000 1.213 550 G CA -1.054 43.202 45.100 -1.407 0.000 0.926 550 G HN 0.299 nan 8.290 nan 0.000 0.523 551 P HA 0.106 nan 4.420 nan 0.000 0.264 551 P C 0.504 177.621 177.300 -0.304 0.000 1.193 551 P CA 0.131 62.892 63.100 -0.565 0.000 0.763 551 P CB 0.771 31.706 31.700 -1.275 0.000 0.810 552 C N 2.699 121.881 119.300 -0.196 0.000 4.432 552 C HA -0.141 4.319 4.460 -0.000 0.000 0.294 552 C C 0.860 175.836 174.990 -0.024 0.000 1.398 552 C CA 1.091 59.967 59.018 -0.237 0.000 1.988 552 C CB -2.770 24.700 27.740 -0.450 0.000 1.251 552 C HN 0.775 nan 8.230 nan 0.000 0.791 553 S N -0.127 115.628 115.700 0.091 0.000 2.713 553 S HA 0.678 5.148 4.470 -0.000 0.000 0.283 553 S C -0.654 174.094 174.600 0.247 0.000 1.161 553 S CA -0.088 58.272 58.200 0.266 0.000 0.999 553 S CB 1.784 65.210 63.200 0.377 0.000 1.039 553 S HN 0.821 nan 8.310 nan 0.000 0.548 554 Q N 0.044 120.020 119.800 0.294 0.000 2.526 554 Q HA 0.298 4.638 4.340 -0.000 0.000 0.238 554 Q C -0.573 175.551 176.000 0.208 0.000 0.866 554 Q CA -0.598 55.366 55.803 0.268 0.000 0.801 554 Q CB 0.896 29.856 28.738 0.369 0.000 1.380 554 Q HN 0.669 nan 8.270 nan 0.000 0.446 555 K N 0.616 121.136 120.400 0.200 0.000 2.323 555 K HA 0.244 4.564 4.320 -0.000 0.000 0.197 555 K C 0.193 176.893 176.600 0.167 0.000 1.043 555 K CA 0.502 56.896 56.287 0.178 0.000 0.997 555 K CB 0.836 33.465 32.500 0.216 0.000 0.807 555 K HN 0.493 nan 8.250 nan 0.000 0.497 556 A N 3.053 125.987 122.820 0.191 0.000 2.294 556 A HA 0.349 4.669 4.320 -0.000 0.000 0.316 556 A C -0.640 177.020 177.584 0.128 0.000 1.359 556 A CA -0.498 51.656 52.037 0.196 0.000 0.956 556 A CB -0.104 19.076 19.000 0.300 0.000 1.155 556 A HN 0.288 nan 8.150 nan 0.000 0.544 557 D N 0.557 120.995 120.400 0.064 0.000 2.752 557 D HA 0.557 5.197 4.640 -0.000 0.000 0.313 557 D C 0.048 176.334 176.300 -0.024 0.000 1.225 557 D CA 0.049 54.059 54.000 0.017 0.000 0.976 557 D CB 1.059 41.841 40.800 -0.030 0.000 1.443 557 D HN 0.261 nan 8.370 nan 0.000 0.515 558 A N -0.719 122.091 122.820 -0.015 0.000 2.462 558 A HA 0.665 4.985 4.320 -0.000 0.000 0.261 558 A C 0.546 178.057 177.584 -0.121 0.000 1.323 558 A CA 0.116 52.154 52.037 0.001 0.000 0.913 558 A CB -0.942 18.128 19.000 0.116 0.000 1.028 558 A HN 0.715 nan 8.150 nan 0.000 0.511 559 A N -0.286 122.312 122.820 -0.370 0.000 2.316 559 A HA 0.593 4.913 4.320 -0.000 0.000 0.284 559 A C -0.380 177.135 177.584 -0.114 0.000 1.115 559 A CA -0.434 51.382 52.037 -0.368 0.000 0.812 559 A CB 0.075 18.687 19.000 -0.646 0.000 1.064 559 A HN 0.607 nan 8.150 nan 0.000 0.489 560 F N 1.981 121.842 119.950 -0.148 0.000 2.384 560 F HA 0.649 5.176 4.527 -0.000 0.000 0.338 560 F C 0.485 176.243 175.800 -0.069 0.000 1.103 560 F CA -0.006 57.937 58.000 -0.096 0.000 1.157 560 F CB 0.713 39.667 39.000 -0.076 0.000 1.167 560 F HN 0.629 nan 8.300 nan 0.000 0.529 561 R N 5.302 125.140 120.500 -1.104 0.000 2.707 561 R HA 0.521 4.861 4.340 -0.000 0.000 0.272 561 R C -1.729 174.064 176.300 -0.845 0.000 1.011 561 R CA -0.974 54.670 56.100 -0.759 0.000 0.893 561 R CB 1.980 32.087 30.300 -0.321 0.000 1.233 561 R HN 0.705 nan 8.270 nan 0.000 0.464 562 L N 3.881 124.850 121.223 -0.424 0.000 2.457 562 L HA 0.336 4.675 4.340 -0.000 0.000 0.252 562 L C -0.767 176.147 176.870 0.074 0.000 1.132 562 L CA -0.605 54.093 54.840 -0.237 0.000 0.938 562 L CB 0.380 42.415 42.059 -0.039 0.000 1.246 562 L HN 0.695 nan 8.230 nan 0.000 0.476 563 N N -0.965 117.722 118.700 -0.023 0.000 3.124 563 N HA 0.195 4.935 4.740 -0.000 0.000 0.350 563 N C 0.452 175.681 175.510 -0.468 0.000 1.411 563 N CA -0.764 52.230 53.050 -0.092 0.000 0.729 563 N CB 0.153 38.636 38.487 -0.006 0.000 1.379 563 N HN 0.198 nan 8.380 nan 0.000 0.599 564 W N 0.166 120.870 121.300 -0.993 0.000 2.388 564 W HA 0.244 4.904 4.660 -0.000 0.000 0.294 564 W C 2.088 178.531 176.519 -0.127 0.000 1.212 564 W CA 2.243 59.146 57.345 -0.737 0.000 1.271 564 W CB -0.941 28.188 29.460 -0.552 0.000 1.126 564 W HN 0.644 nan 8.180 nan 0.000 0.535 565 A N -0.398 122.418 122.820 -0.006 0.000 2.024 565 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 565 A C 1.913 179.420 177.584 -0.128 0.000 1.164 565 A CA 2.396 54.371 52.037 -0.103 0.000 0.643 565 A CB -1.220 17.799 19.000 0.030 0.000 0.806 565 A HN 0.299 nan 8.150 nan 0.000 0.451 566 T N -1.308 113.202 114.554 -0.072 0.000 2.674 566 T HA -0.196 4.154 4.350 -0.000 0.000 0.265 566 T C 1.814 176.588 174.700 0.124 0.000 1.039 566 T CA 1.719 63.776 62.100 -0.071 0.000 1.150 566 T CB -0.497 68.209 68.868 -0.270 0.000 0.864 566 T HN 0.694 nan 8.240 nan 0.000 0.427 567 Y N 2.029 122.447 120.300 0.197 0.000 2.181 567 Y HA -0.047 4.503 4.550 -0.000 0.000 0.288 567 Y C 1.979 177.839 175.900 -0.068 0.000 1.146 567 Y CA 0.994 59.182 58.100 0.146 0.000 1.164 567 Y CB -0.718 37.777 38.460 0.058 0.000 0.982 567 Y HN 0.112 nan 8.280 nan 0.000 0.515 568 L N 0.055 120.930 121.223 -0.580 0.000 2.127 568 L HA -0.239 4.100 4.340 -0.000 0.000 0.211 568 L C 2.721 179.335 176.870 -0.426 0.000 1.089 568 L CA 1.307 55.720 54.840 -0.712 0.000 0.757 568 L CB -0.876 40.792 42.059 -0.651 0.000 0.899 568 L HN 0.468 nan 8.230 nan 0.000 0.434 569 A N -1.314 121.338 122.820 -0.281 0.000 1.871 569 A HA -0.138 4.182 4.320 -0.000 0.000 0.211 569 A C 2.478 179.971 177.584 -0.152 0.000 1.207 569 A CA 1.295 53.211 52.037 -0.202 0.000 0.620 569 A CB -0.560 18.324 19.000 -0.194 0.000 0.860 569 A HN 0.295 nan 8.150 nan 0.000 0.450 570 S N -0.773 114.864 115.700 -0.105 0.000 2.370 570 S HA -0.134 4.336 4.470 -0.000 0.000 0.226 570 S C 1.771 176.353 174.600 -0.030 0.000 1.033 570 S CA 2.417 60.599 58.200 -0.029 0.000 1.011 570 S CB -0.323 62.937 63.200 0.099 0.000 0.852 570 S HN 0.563 nan 8.310 nan 0.000 0.457 571 T N 0.527 115.011 114.554 -0.117 0.000 3.000 571 T HA 0.251 4.601 4.350 -0.000 0.000 0.248 571 T C 1.146 175.756 174.700 -0.150 0.000 1.034 571 T CA 0.107 62.148 62.100 -0.099 0.000 1.060 571 T CB 0.135 68.989 68.868 -0.023 0.000 0.983 571 T HN 0.305 nan 8.240 nan 0.000 0.482 572 E N 1.357 121.392 120.200 -0.277 0.000 2.498 572 E HA 0.197 4.547 4.350 -0.000 0.000 0.203 572 E C 0.057 176.616 176.600 -0.069 0.000 1.013 572 E CA -0.108 56.188 56.400 -0.174 0.000 0.927 572 E CB 0.084 29.629 29.700 -0.259 0.000 1.012 572 E HN 0.262 nan 8.360 nan 0.000 0.482 573 N N 0.968 119.635 118.700 -0.054 0.000 2.740 573 N HA -0.191 4.549 4.740 -0.000 0.000 0.248 573 N C -0.606 174.955 175.510 0.084 0.000 1.062 573 N CA 0.722 53.809 53.050 0.062 0.000 0.704 573 N CB -1.396 37.189 38.487 0.163 0.000 0.968 573 N HN 0.292 nan 8.380 nan 0.000 0.547 574 I N 0.757 121.303 120.570 -0.041 0.000 2.460 574 I HA 0.382 4.551 4.170 -0.000 0.000 0.298 574 I C 0.926 176.984 176.117 -0.097 0.000 0.989 574 I CA -0.738 60.544 61.300 -0.031 0.000 1.173 574 I CB 1.581 39.576 38.000 -0.008 0.000 1.338 574 I HN -0.085 nan 8.210 nan 0.000 0.456 575 I N 5.952 126.473 120.570 -0.082 0.000 2.312 575 I HA 0.200 4.370 4.170 -0.000 0.000 0.291 575 I C -0.460 175.625 176.117 -0.055 0.000 1.031 575 I CA -0.565 60.641 61.300 -0.157 0.000 1.293 575 I CB 1.160 39.051 38.000 -0.183 0.000 1.403 575 I HN 0.205 nan 8.210 nan 0.000 0.484 576 V N 6.588 126.463 119.914 -0.064 0.000 2.350 576 V HA 0.614 4.734 4.120 -0.000 0.000 0.276 576 V C 0.370 176.498 176.094 0.057 0.000 1.028 576 V CA -0.424 61.904 62.300 0.046 0.000 0.860 576 V CB 1.078 32.927 31.823 0.045 0.000 0.990 576 V HN 0.826 nan 8.190 nan 0.000 0.453 577 A N 3.955 126.856 122.820 0.135 0.000 2.365 577 A HA 0.894 5.214 4.320 -0.000 0.000 0.318 577 A C -0.226 177.559 177.584 0.335 0.000 1.091 577 A CA -0.496 51.636 52.037 0.158 0.000 0.763 577 A CB 1.741 20.709 19.000 -0.054 0.000 1.248 577 A HN 0.665 nan 8.150 nan 0.000 0.442 578 S N 0.394 116.324 115.700 0.383 0.000 2.513 578 S HA 0.751 5.221 4.470 -0.000 0.000 0.299 578 S C -1.358 173.599 174.600 0.596 0.000 1.087 578 S CA -0.288 58.167 58.200 0.426 0.000 1.012 578 S CB 1.188 64.576 63.200 0.313 0.000 1.044 578 S HN 0.727 nan 8.310 nan 0.000 0.485 579 F N 2.298 122.479 119.950 0.385 0.000 2.536 579 F HA 0.400 4.927 4.527 -0.000 0.000 0.322 579 F C -1.269 174.721 175.800 0.317 0.000 1.144 579 F CA -0.870 57.371 58.000 0.402 0.000 0.924 579 F CB 1.204 40.392 39.000 0.314 0.000 1.181 579 F HN 0.384 nan 8.300 nan 0.000 0.438 580 D N 5.263 125.496 120.400 -0.278 0.000 2.453 580 D HA 0.291 4.931 4.640 -0.000 0.000 0.223 580 D C 0.524 176.524 176.300 -0.500 0.000 1.183 580 D CA 0.264 54.144 54.000 -0.201 0.000 0.933 580 D CB 1.271 42.103 40.800 0.052 0.000 1.038 580 D HN 0.759 nan 8.370 nan 0.000 0.513 581 G N 1.418 109.956 108.800 -0.437 0.000 2.630 581 G HA2 0.248 4.207 3.960 -0.000 0.000 0.223 581 G HA3 0.248 4.207 3.960 -0.000 0.000 0.223 581 G C 0.239 175.135 174.900 -0.006 0.000 1.434 581 G CA -0.692 44.213 45.100 -0.326 0.000 1.057 581 G HN 0.292 nan 8.290 nan 0.000 0.570 582 R N -0.740 119.743 120.500 -0.028 0.000 2.623 582 R HA 0.368 4.708 4.340 -0.000 0.000 0.271 582 R C 1.261 177.595 176.300 0.057 0.000 1.043 582 R CA 1.375 57.532 56.100 0.095 0.000 1.083 582 R CB 0.472 30.809 30.300 0.062 0.000 0.974 582 R HN 1.047 nan 8.270 nan 0.000 0.436 583 G N 1.045 109.875 108.800 0.051 0.000 2.199 583 G HA2 -0.339 3.620 3.960 -0.000 0.000 0.254 583 G HA3 -0.339 3.620 3.960 -0.000 0.000 0.254 583 G C 0.263 175.144 174.900 -0.031 0.000 0.982 583 G CA 0.383 45.490 45.100 0.012 0.000 0.632 583 G HN 0.735 nan 8.290 nan 0.000 0.529 584 S N 0.475 116.174 115.700 -0.001 0.000 2.640 584 S HA 0.685 5.154 4.470 -0.000 0.000 0.262 584 S C 1.809 176.371 174.600 -0.064 0.000 1.232 584 S CA 0.661 58.856 58.200 -0.008 0.000 0.988 584 S CB 0.723 63.950 63.200 0.045 0.000 1.034 584 S HN 2.066 nan 8.310 nan 0.000 0.569 585 G N 0.190 108.970 108.800 -0.034 0.000 2.540 585 G HA2 -0.234 3.726 3.960 -0.000 0.000 1.025 585 G HA3 -0.234 3.726 3.960 -0.000 0.000 1.025 585 G C -0.432 174.264 174.900 -0.340 0.000 1.306 585 G CA 0.893 45.925 45.100 -0.112 0.000 0.900 585 G HN 0.863 nan 8.290 nan 0.000 0.708 586 Y N 0.546 120.846 120.300 0.000 0.000 2.812 586 Y HA 0.484 5.034 4.550 -0.000 0.000 0.354 586 Y C 1.195 177.071 175.900 -0.038 0.000 1.276 586 Y CA -0.162 57.923 58.100 -0.025 0.000 1.639 586 Y CB 0.232 38.705 38.460 0.022 0.000 1.741 586 Y HN 0.353 nan 8.280 nan 0.000 0.479 587 Q N 0.634 120.413 119.800 -0.035 0.000 2.106 587 Q HA 0.446 4.786 4.340 -0.000 0.000 0.273 587 Q C 0.361 176.194 176.000 -0.279 0.000 0.853 587 Q CA -0.190 55.595 55.803 -0.029 0.000 1.118 587 Q CB 1.469 30.199 28.738 -0.013 0.000 1.240 587 Q HN 0.645 nan 8.270 nan 0.000 0.445 588 G N 0.612 109.111 108.800 -0.502 0.000 2.692 588 G HA2 -0.185 3.774 3.960 -0.000 0.000 0.686 588 G HA3 -0.185 3.774 3.960 -0.000 0.000 0.686 588 G C -0.364 174.140 174.900 -0.659 0.000 1.243 588 G CA -0.575 43.960 45.100 -0.942 0.000 0.782 588 G HN 0.159 nan 8.290 nan 0.000 0.625 589 D N 0.204 120.194 120.400 -0.684 0.000 2.218 589 D HA -0.084 4.556 4.640 -0.000 0.000 0.204 589 D C 2.200 178.211 176.300 -0.481 0.000 0.976 589 D CA 1.347 54.916 54.000 -0.718 0.000 0.853 589 D CB 0.017 40.409 40.800 -0.681 0.000 0.939 589 D HN 0.634 nan 8.370 nan 0.000 0.481 590 K N 0.698 120.884 120.400 -0.356 0.000 2.044 590 K HA -0.155 4.165 4.320 -0.000 0.000 0.210 590 K C 2.145 178.666 176.600 -0.133 0.000 1.049 590 K CA 1.033 57.205 56.287 -0.191 0.000 0.927 590 K CB -0.135 32.273 32.500 -0.154 0.000 0.713 590 K HN 0.111 nan 8.250 nan 0.000 0.443 591 I N 0.488 120.961 120.570 -0.162 0.000 2.233 591 I HA -0.252 3.917 4.170 -0.000 0.000 0.243 591 I C 2.712 178.782 176.117 -0.077 0.000 1.093 591 I CA 1.032 62.300 61.300 -0.054 0.000 1.380 591 I CB -0.142 37.834 38.000 -0.041 0.000 1.067 591 I HN 0.344 nan 8.210 nan 0.000 0.413 592 M N 0.071 119.540 119.600 -0.218 0.000 2.132 592 M HA -0.210 4.270 4.480 -0.000 0.000 0.263 592 M C 1.988 178.217 176.300 -0.118 0.000 1.065 592 M CA 1.814 56.981 55.300 -0.221 0.000 1.122 592 M CB -0.230 32.123 32.600 -0.411 0.000 1.365 592 M HN 0.243 nan 8.290 nan 0.000 0.411 593 H N -0.095 118.821 119.070 -0.258 0.000 2.547 593 H HA 0.226 4.782 4.556 -0.000 0.000 0.266 593 H C 1.832 177.123 175.328 -0.063 0.000 0.988 593 H CA 0.741 56.637 56.048 -0.254 0.000 1.147 593 H CB -0.513 29.029 29.762 -0.367 0.000 1.365 593 H HN 0.488 nan 8.280 nan 0.000 0.589 594 A N 0.706 123.571 122.820 0.075 0.000 2.019 594 A HA -0.099 4.221 4.320 -0.000 0.000 0.219 594 A C 2.034 179.667 177.584 0.082 0.000 1.164 594 A CA 0.878 52.956 52.037 0.069 0.000 0.644 594 A CB -0.285 18.753 19.000 0.064 0.000 0.805 594 A HN 0.197 nan 8.150 nan 0.000 0.449 595 I N -0.182 120.453 120.570 0.107 0.000 3.251 595 I HA -0.016 4.153 4.170 -0.000 0.000 0.277 595 I C 0.662 176.849 176.117 0.116 0.000 1.268 595 I CA -0.075 61.279 61.300 0.088 0.000 1.449 595 I CB -1.866 36.163 38.000 0.048 0.000 1.083 595 I HN 0.283 nan 8.210 nan 0.000 0.464 596 N N 2.933 121.753 118.700 0.201 0.000 2.131 596 N HA -0.201 4.538 4.740 -0.000 0.000 0.276 596 N C 0.777 176.363 175.510 0.128 0.000 1.295 596 N CA 0.767 53.946 53.050 0.215 0.000 0.818 596 N CB 0.244 38.821 38.487 0.151 0.000 1.049 596 N HN 0.053 nan 8.380 nan 0.000 0.484 597 K N -0.045 120.415 120.400 0.101 0.000 3.426 597 K HA -0.257 4.063 4.320 -0.000 0.000 0.315 597 K C -0.619 176.094 176.600 0.189 0.000 1.293 597 K CA 1.483 57.832 56.287 0.102 0.000 0.955 597 K CB -1.365 31.202 32.500 0.112 0.000 1.238 597 K HN 0.880 nan 8.250 nan 0.000 0.441 598 R N -0.297 120.246 120.500 0.071 0.000 2.734 598 R HA 0.406 4.746 4.340 -0.000 0.000 0.242 598 R C -0.067 176.207 176.300 -0.044 0.000 1.617 598 R CA -0.550 55.542 56.100 -0.013 0.000 1.572 598 R CB -0.186 30.068 30.300 -0.076 0.000 1.477 598 R HN -0.065 nan 8.270 nan 0.000 0.707 599 L N 0.908 122.078 121.223 -0.088 0.000 2.476 599 L HA 0.466 4.806 4.340 -0.000 0.000 0.264 599 L C 1.282 178.263 176.870 0.186 0.000 1.224 599 L CA 0.650 55.490 54.840 -0.001 0.000 0.821 599 L CB 0.531 42.436 42.059 -0.257 0.000 1.101 599 L HN 0.873 nan 8.230 nan 0.000 0.488 600 G N 0.619 109.627 108.800 0.346 0.000 2.153 600 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.252 600 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.252 600 G C 0.343 175.277 174.900 0.057 0.000 0.994 600 G CA 0.491 45.742 45.100 0.252 0.000 0.698 600 G HN 0.698 nan 8.290 nan 0.000 0.521 601 T N -0.356 114.225 114.554 0.045 0.000 2.312 601 T HA 0.377 4.727 4.350 -0.000 0.000 0.175 601 T C 2.326 177.025 174.700 -0.000 0.000 0.727 601 T CA 0.273 62.369 62.100 -0.006 0.000 1.333 601 T CB -0.206 68.643 68.868 -0.032 0.000 2.928 601 T HN 0.078 nan 8.240 nan 0.000 0.403 602 L N 2.063 123.290 121.223 0.006 0.000 2.043 602 L HA -0.157 4.183 4.340 -0.000 0.000 0.212 602 L C 2.930 179.811 176.870 0.019 0.000 1.075 602 L CA 1.801 56.645 54.840 0.007 0.000 0.752 602 L CB -0.938 41.130 42.059 0.016 0.000 0.891 602 L HN 0.610 nan 8.230 nan 0.000 0.432 603 E N 0.828 121.057 120.200 0.047 0.000 2.160 603 E HA -0.167 4.183 4.350 -0.000 0.000 0.195 603 E C 2.049 178.690 176.600 0.068 0.000 0.991 603 E CA 1.741 58.186 56.400 0.075 0.000 0.810 603 E CB -0.614 29.159 29.700 0.121 0.000 0.742 603 E HN 0.412 nan 8.360 nan 0.000 0.466 604 V N 1.579 121.509 119.914 0.026 0.000 2.302 604 V HA -0.196 3.923 4.120 -0.000 0.000 0.243 604 V C 2.395 178.471 176.094 -0.030 0.000 1.036 604 V CA 1.989 64.271 62.300 -0.030 0.000 1.020 604 V CB -0.682 31.083 31.823 -0.097 0.000 0.657 604 V HN 0.177 nan 8.190 nan 0.000 0.453 605 E N 0.534 120.716 120.200 -0.030 0.000 2.033 605 E HA -0.284 4.066 4.350 -0.000 0.000 0.199 605 E C 1.958 178.534 176.600 -0.041 0.000 1.011 605 E CA 1.794 58.172 56.400 -0.037 0.000 0.815 605 E CB -0.316 29.363 29.700 -0.036 0.000 0.755 605 E HN 0.559 nan 8.360 nan 0.000 0.451 606 D N 0.136 120.522 120.400 -0.024 0.000 2.228 606 D HA -0.178 4.461 4.640 -0.000 0.000 0.203 606 D C 1.886 178.180 176.300 -0.010 0.000 0.988 606 D CA 0.996 54.985 54.000 -0.018 0.000 0.864 606 D CB -0.175 40.656 40.800 0.051 0.000 0.928 606 D HN 0.066 nan 8.370 nan 0.000 0.469 607 Q N -0.214 119.618 119.800 0.053 0.000 2.172 607 Q HA 0.064 4.403 4.340 -0.000 0.000 0.200 607 Q C 2.025 178.032 176.000 0.013 0.000 0.964 607 Q CA 0.617 56.468 55.803 0.080 0.000 0.855 607 Q CB 0.027 28.825 28.738 0.099 0.000 0.918 607 Q HN 0.344 nan 8.270 nan 0.000 0.444 608 I N -0.288 120.285 120.570 0.005 0.000 2.277 608 I HA -0.165 4.004 4.170 -0.000 0.000 0.243 608 I C 2.135 178.188 176.117 -0.108 0.000 1.094 608 I CA 0.689 62.036 61.300 0.077 0.000 1.393 608 I CB -0.242 37.798 38.000 0.067 0.000 1.078 608 I HN 0.136 nan 8.210 nan 0.000 0.417 609 E N 1.328 121.416 120.200 -0.186 0.000 2.086 609 E HA -0.270 4.080 4.350 -0.000 0.000 0.200 609 E C 2.267 178.570 176.600 -0.494 0.000 1.012 609 E CA 1.787 58.020 56.400 -0.279 0.000 0.812 609 E CB -0.312 29.235 29.700 -0.254 0.000 0.743 609 E HN 0.475 nan 8.360 nan 0.000 0.453 610 A N 1.008 123.373 122.820 -0.759 0.000 1.883 610 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 610 A C 2.441 179.290 177.584 -1.224 0.000 1.186 610 A CA 2.638 53.899 52.037 -1.293 0.000 0.624 610 A CB -0.773 17.200 19.000 -1.712 0.000 0.822 610 A HN 0.318 nan 8.150 nan 0.000 0.444 611 A N -0.438 122.001 122.820 -0.634 0.000 1.902 611 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 611 A C 2.233 179.600 177.584 -0.362 0.000 1.181 611 A CA 1.493 53.299 52.037 -0.384 0.000 0.623 611 A CB -0.495 18.370 19.000 -0.225 0.000 0.818 611 A HN 0.470 nan 8.150 nan 0.000 0.443 612 R N -0.498 119.800 120.500 -0.337 0.000 2.094 612 R HA -0.166 4.173 4.340 -0.000 0.000 0.239 612 R C 2.246 178.389 176.300 -0.261 0.000 1.137 612 R CA 1.652 57.599 56.100 -0.256 0.000 0.943 612 R CB -0.778 29.394 30.300 -0.214 0.000 0.850 612 R HN 0.598 nan 8.270 nan 0.000 0.433 613 Q N 0.053 119.636 119.800 -0.361 0.000 2.096 613 Q HA -0.096 4.244 4.340 -0.000 0.000 0.204 613 Q C 2.228 178.120 176.000 -0.181 0.000 0.982 613 Q CA 1.466 57.086 55.803 -0.305 0.000 0.850 613 Q CB -0.521 27.968 28.738 -0.415 0.000 0.901 613 Q HN 0.475 nan 8.270 nan 0.000 0.422 614 F N 0.364 120.143 119.950 -0.285 0.000 2.216 614 F HA -0.177 4.350 4.527 -0.000 0.000 0.300 614 F C 2.237 177.842 175.800 -0.327 0.000 1.085 614 F CA 0.131 57.953 58.000 -0.295 0.000 1.326 614 F CB -0.118 38.748 39.000 -0.224 0.000 1.027 614 F HN 0.043 nan 8.300 nan 0.000 0.497 615 L N 0.148 121.317 121.223 -0.089 0.000 2.027 615 L HA -0.201 4.139 4.340 -0.000 0.000 0.206 615 L C 2.272 179.030 176.870 -0.186 0.000 1.074 615 L CA 1.376 56.126 54.840 -0.150 0.000 0.745 615 L CB -0.609 41.365 42.059 -0.141 0.000 0.898 615 L HN 0.030 nan 8.230 nan 0.000 0.433 616 K N -0.137 120.167 120.400 -0.161 0.000 2.281 616 K HA -0.158 4.162 4.320 -0.000 0.000 0.203 616 K C 1.977 178.473 176.600 -0.174 0.000 1.046 616 K CA 1.253 57.455 56.287 -0.142 0.000 0.938 616 K CB -0.165 32.266 32.500 -0.115 0.000 0.737 616 K HN 0.335 nan 8.250 nan 0.000 0.458 617 M N -0.673 118.773 119.600 -0.258 0.000 2.549 617 M HA -0.069 4.410 4.480 -0.000 0.000 0.260 617 M C 1.484 177.474 176.300 -0.518 0.000 1.076 617 M CA 1.183 56.262 55.300 -0.367 0.000 1.090 617 M CB 0.035 32.339 32.600 -0.495 0.000 1.418 617 M HN 0.527 nan 8.290 nan 0.000 0.486 618 G N 0.889 109.423 108.800 -0.443 0.000 2.729 618 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.216 618 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.216 618 G C 0.520 175.287 174.900 -0.221 0.000 1.252 618 G CA 0.234 45.167 45.100 -0.278 0.000 0.751 618 G HN 0.553 nan 8.290 nan 0.000 0.527 619 F N 1.897 121.911 119.950 0.107 0.000 2.772 619 F HA 0.666 5.193 4.527 -0.000 0.000 0.302 619 F C 0.437 176.367 175.800 0.217 0.000 1.225 619 F CA -0.530 57.588 58.000 0.197 0.000 1.429 619 F CB -0.330 38.887 39.000 0.361 0.000 1.104 619 F HN 0.159 nan 8.300 nan 0.000 0.550 620 V N 1.198 121.128 119.914 0.027 0.000 2.448 620 V HA 0.144 4.263 4.120 -0.000 0.000 0.295 620 V C -0.399 175.686 176.094 -0.014 0.000 1.025 620 V CA -1.015 61.318 62.300 0.056 0.000 0.859 620 V CB 1.626 33.435 31.823 -0.024 0.000 0.988 620 V HN 0.070 nan 8.190 nan 0.000 0.431 621 D N 3.440 123.828 120.400 -0.020 0.000 2.383 621 D HA 0.018 4.658 4.640 -0.000 0.000 0.245 621 D C 1.544 177.793 176.300 -0.085 0.000 1.263 621 D CA 0.491 54.449 54.000 -0.070 0.000 0.936 621 D CB 1.190 41.924 40.800 -0.109 0.000 1.053 621 D HN 0.701 nan 8.370 nan 0.000 0.507 622 S N 3.840 119.492 115.700 -0.081 0.000 2.441 622 S HA -0.194 4.276 4.470 -0.000 0.000 0.242 622 S C 1.443 175.998 174.600 -0.075 0.000 1.018 622 S CA 0.742 58.888 58.200 -0.090 0.000 0.988 622 S CB -0.005 63.143 63.200 -0.087 0.000 0.778 622 S HN 0.303 nan 8.310 nan 0.000 0.498 623 K N 0.723 121.085 120.400 -0.062 0.000 2.487 623 K HA 0.228 4.548 4.320 -0.000 0.000 0.192 623 K C 0.297 176.890 176.600 -0.011 0.000 1.027 623 K CA 0.304 56.570 56.287 -0.035 0.000 1.054 623 K CB -0.003 32.477 32.500 -0.034 0.000 0.824 623 K HN 0.398 nan 8.250 nan 0.000 0.510 624 R N 0.325 120.789 120.500 -0.059 0.000 2.687 624 R HA 0.240 4.580 4.340 -0.000 0.000 0.264 624 R C -1.454 174.823 176.300 -0.038 0.000 1.715 624 R CA -0.132 55.929 56.100 -0.064 0.000 1.633 624 R CB 1.202 31.252 30.300 -0.417 0.000 1.353 624 R HN -0.233 nan 8.270 nan 0.000 0.653 625 V N 1.361 121.380 119.914 0.174 0.000 2.409 625 V HA 0.830 4.949 4.120 -0.000 0.000 0.291 625 V C 0.005 176.347 176.094 0.413 0.000 1.020 625 V CA -0.739 61.669 62.300 0.180 0.000 0.848 625 V CB 1.556 33.287 31.823 -0.154 0.000 0.990 625 V HN 0.623 nan 8.190 nan 0.000 0.430 626 A N 4.954 128.122 122.820 0.579 0.000 2.414 626 A HA 1.023 5.342 4.320 -0.000 0.000 0.278 626 A C -0.892 177.077 177.584 0.643 0.000 1.228 626 A CA -0.849 51.520 52.037 0.554 0.000 0.857 626 A CB 1.824 21.009 19.000 0.308 0.000 1.389 626 A HN 0.937 nan 8.150 nan 0.000 0.452 627 I N -0.102 120.766 120.570 0.496 0.000 2.741 627 I HA 0.517 4.687 4.170 -0.000 0.000 0.288 627 I C -2.220 174.161 176.117 0.441 0.000 1.482 627 I CA -0.468 61.079 61.300 0.411 0.000 1.050 627 I CB 1.393 39.425 38.000 0.053 0.000 1.388 627 I HN 0.957 nan 8.210 nan 0.000 0.428 628 W N 7.122 128.558 121.300 0.226 0.000 3.107 628 W HA 0.902 5.561 4.660 -0.000 0.000 0.331 628 W C -1.258 175.402 176.519 0.235 0.000 1.204 628 W CA -1.264 56.209 57.345 0.215 0.000 1.184 628 W CB 1.156 30.781 29.460 0.276 0.000 1.421 628 W HN 0.782 nan 8.180 nan 0.000 0.544 629 G N 0.910 109.683 108.800 -0.044 0.000 2.692 629 G HA2 0.542 4.502 3.960 -0.000 0.000 0.291 629 G HA3 0.542 4.502 3.960 -0.000 0.000 0.291 629 G C -2.683 172.193 174.900 -0.040 0.000 1.423 629 G CA -0.695 44.273 45.100 -0.221 0.000 0.843 629 G HN 0.581 nan 8.290 nan 0.000 0.486 630 W N 0.925 122.147 121.300 -0.131 0.000 2.666 630 W HA 0.556 5.216 4.660 -0.000 0.000 0.334 630 W C 0.924 177.523 176.519 0.133 0.000 1.051 630 W CA 0.290 57.623 57.345 -0.019 0.000 1.224 630 W CB 1.940 31.367 29.460 -0.055 0.000 1.405 630 W HN 1.114 nan 8.180 nan 0.000 0.513 631 S N 3.025 118.995 115.700 0.450 0.000 4.155 631 S HA -0.441 4.029 4.470 -0.000 0.000 0.552 631 S C 1.246 175.983 174.600 0.227 0.000 1.869 631 S CA 2.207 60.675 58.200 0.446 0.000 4.246 631 S CB -1.902 61.730 63.200 0.719 0.000 0.245 631 S HN 0.727 nan 8.310 nan 0.000 0.461 632 Y N 2.433 122.799 120.300 0.109 0.000 2.242 632 Y HA 0.121 4.671 4.550 -0.000 0.000 0.291 632 Y C 2.461 178.324 175.900 -0.062 0.000 1.137 632 Y CA 2.387 60.425 58.100 -0.103 0.000 1.181 632 Y CB -1.015 37.136 38.460 -0.514 0.000 0.989 632 Y HN 0.520 nan 8.280 nan 0.000 0.527 633 G N -0.685 108.200 108.800 0.142 0.000 2.418 633 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 633 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 633 G C 1.877 176.820 174.900 0.071 0.000 1.158 633 G CA 0.766 45.956 45.100 0.150 0.000 0.771 633 G HN 0.566 nan 8.290 nan 0.000 0.545 634 G N -0.282 108.567 108.800 0.081 0.000 2.432 634 G HA2 -0.237 3.722 3.960 -0.000 0.000 0.219 634 G HA3 -0.237 3.722 3.960 -0.000 0.000 0.219 634 G C 1.594 176.509 174.900 0.025 0.000 1.135 634 G CA 1.114 46.235 45.100 0.036 0.000 0.767 634 G HN 0.434 nan 8.290 nan 0.000 0.550 635 Y N 1.534 121.731 120.300 -0.170 0.000 2.114 635 Y HA -0.156 4.394 4.550 -0.000 0.000 0.284 635 Y C 2.764 178.544 175.900 -0.200 0.000 1.143 635 Y CA 1.737 59.676 58.100 -0.268 0.000 1.135 635 Y CB -0.526 37.624 38.460 -0.517 0.000 0.980 635 Y HN 0.036 nan 8.280 nan 0.000 0.499 636 V N -0.433 119.294 119.914 -0.312 0.000 2.343 636 V HA -0.310 3.810 4.120 -0.000 0.000 0.247 636 V C 2.339 178.286 176.094 -0.245 0.000 1.051 636 V CA 2.347 64.450 62.300 -0.329 0.000 1.036 636 V CB -1.357 30.419 31.823 -0.077 0.000 0.654 636 V HN 0.468 nan 8.190 nan 0.000 0.451 637 T N 0.138 114.618 114.554 -0.125 0.000 2.653 637 T HA -0.241 4.108 4.350 -0.000 0.000 0.268 637 T C 2.164 176.793 174.700 -0.119 0.000 1.035 637 T CA 2.215 64.263 62.100 -0.087 0.000 1.154 637 T CB -0.315 68.583 68.868 0.050 0.000 0.862 637 T HN 0.523 nan 8.240 nan 0.000 0.441 638 S N 0.795 116.454 115.700 -0.068 0.000 2.355 638 S HA -0.001 4.469 4.470 -0.000 0.000 0.222 638 S C 2.148 176.658 174.600 -0.149 0.000 1.031 638 S CA 0.937 59.123 58.200 -0.022 0.000 0.993 638 S CB -0.283 62.947 63.200 0.050 0.000 0.859 638 S HN 0.338 nan 8.310 nan 0.000 0.453 639 M N 0.914 120.322 119.600 -0.320 0.000 2.213 639 M HA -0.056 4.424 4.480 -0.000 0.000 0.263 639 M C 2.146 178.271 176.300 -0.291 0.000 1.062 639 M CA 1.067 56.161 55.300 -0.344 0.000 1.105 639 M CB -1.228 31.041 32.600 -0.550 0.000 1.385 639 M HN 0.192 nan 8.290 nan 0.000 0.417 640 V N 0.572 120.292 119.914 -0.324 0.000 2.244 640 V HA -0.239 3.881 4.120 -0.000 0.000 0.244 640 V C 2.497 178.350 176.094 -0.403 0.000 1.042 640 V CA 1.366 63.451 62.300 -0.359 0.000 1.006 640 V CB -0.643 30.881 31.823 -0.498 0.000 0.641 640 V HN 0.395 nan 8.190 nan 0.000 0.446 641 L N 0.560 121.494 121.223 -0.481 0.000 2.129 641 L HA -0.134 4.206 4.340 -0.000 0.000 0.212 641 L C 2.183 178.535 176.870 -0.863 0.000 1.087 641 L CA 1.671 56.142 54.840 -0.615 0.000 0.757 641 L CB -0.802 40.830 42.059 -0.712 0.000 0.896 641 L HN 0.518 nan 8.230 nan 0.000 0.434 642 G N -1.518 106.803 108.800 -0.799 0.000 3.233 642 G HA2 -0.013 3.946 3.960 -0.000 0.000 0.227 642 G HA3 -0.013 3.946 3.960 -0.000 0.000 0.227 642 G C 1.377 176.143 174.900 -0.223 0.000 1.175 642 G CA 0.548 45.322 45.100 -0.543 0.000 0.781 642 G HN 0.450 nan 8.290 nan 0.000 0.542 643 S N -0.862 114.704 115.700 -0.222 0.000 2.528 643 S HA 0.303 4.773 4.470 -0.000 0.000 0.219 643 S C 1.877 176.423 174.600 -0.090 0.000 0.985 643 S CA 0.810 58.934 58.200 -0.127 0.000 0.914 643 S CB -0.006 63.125 63.200 -0.115 0.000 0.776 643 S HN 1.279 nan 8.310 nan 0.000 0.526 644 G N 1.925 110.658 108.800 -0.111 0.000 2.225 644 G HA2 -0.334 3.625 3.960 -0.000 0.000 0.267 644 G HA3 -0.334 3.625 3.960 -0.000 0.000 0.267 644 G C 0.820 175.701 174.900 -0.032 0.000 1.024 644 G CA 0.747 45.807 45.100 -0.066 0.000 0.784 644 G HN 1.243 nan 8.290 nan 0.000 0.507 645 S N -1.010 114.681 115.700 -0.015 0.000 2.515 645 S HA 0.327 4.797 4.470 -0.000 0.000 0.231 645 S C 2.486 177.097 174.600 0.018 0.000 0.987 645 S CA 1.362 59.569 58.200 0.011 0.000 0.936 645 S CB -0.099 63.129 63.200 0.048 0.000 0.766 645 S HN 2.351 nan 8.310 nan 0.000 0.528 646 G N 0.472 109.287 108.800 0.025 0.000 2.270 646 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.268 646 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.268 646 G C 0.848 175.758 174.900 0.015 0.000 0.982 646 G CA 0.526 45.636 45.100 0.018 0.000 0.628 646 G HN 0.743 nan 8.290 nan 0.000 0.544 647 V N -0.447 119.484 119.914 0.028 0.000 2.626 647 V HA 0.212 4.332 4.120 -0.000 0.000 0.252 647 V C 1.145 177.070 176.094 -0.281 0.000 1.067 647 V CA 1.553 63.773 62.300 -0.132 0.000 1.081 647 V CB -0.469 31.232 31.823 -0.203 0.000 0.686 647 V HN 0.314 nan 8.190 nan 0.000 0.468 648 F N -0.611 119.341 119.950 0.003 0.000 2.480 648 F HA 0.453 4.980 4.527 -0.000 0.000 0.329 648 F C 0.974 176.805 175.800 0.050 0.000 1.091 648 F CA -0.996 57.031 58.000 0.045 0.000 0.972 648 F CB 1.693 40.720 39.000 0.044 0.000 1.150 648 F HN -0.319 nan 8.300 nan 0.000 0.467 649 K N 1.033 121.588 120.400 0.258 0.000 2.128 649 K HA 0.147 4.467 4.320 -0.000 0.000 0.202 649 K C -0.035 176.681 176.600 0.194 0.000 1.050 649 K CA 0.966 57.366 56.287 0.189 0.000 0.966 649 K CB 0.284 32.901 32.500 0.195 0.000 0.759 649 K HN 0.802 nan 8.250 nan 0.000 0.454 650 c N -2.709 116.039 118.600 0.245 0.000 3.340 650 c HA 0.931 5.500 4.570 -0.000 0.000 0.333 650 c C -0.105 174.194 174.090 0.348 0.000 1.464 650 c CA -0.539 55.958 56.329 0.280 0.000 1.337 650 c CB 1.038 43.656 42.510 0.181 0.000 1.740 650 c HN 0.402 nan 8.230 nan 0.000 0.450 651 G N -0.378 108.697 108.800 0.457 0.000 2.547 651 G HA2 0.672 4.632 3.960 -0.000 0.000 0.291 651 G HA3 0.672 4.632 3.960 -0.000 0.000 0.291 651 G C -2.083 173.021 174.900 0.341 0.000 1.471 651 G CA -0.667 44.672 45.100 0.398 0.000 0.798 651 G HN 1.012 nan 8.290 nan 0.000 0.504 652 I N 0.752 121.495 120.570 0.287 0.000 2.478 652 I HA 0.595 4.765 4.170 -0.000 0.000 0.287 652 I C 0.182 176.398 176.117 0.165 0.000 1.042 652 I CA -0.948 60.403 61.300 0.086 0.000 1.067 652 I CB 2.145 40.188 38.000 0.071 0.000 1.233 652 I HN 0.676 nan 8.210 nan 0.000 0.431 653 A N 6.565 129.389 122.820 0.008 0.000 2.271 653 A HA 0.774 5.093 4.320 -0.000 0.000 0.317 653 A C -0.611 176.873 177.584 -0.167 0.000 1.245 653 A CA -0.499 51.545 52.037 0.012 0.000 0.857 653 A CB 1.040 20.117 19.000 0.129 0.000 1.175 653 A HN 0.456 nan 8.150 nan 0.000 0.512 654 V N 2.290 122.044 119.914 -0.266 0.000 2.384 654 V HA 0.554 4.674 4.120 -0.000 0.000 0.287 654 V C 0.913 176.626 176.094 -0.635 0.000 1.020 654 V CA 0.333 62.264 62.300 -0.616 0.000 0.850 654 V CB 0.710 31.801 31.823 -1.219 0.000 0.987 654 V HN 2.052 nan 8.190 nan 0.000 0.436 655 A N 5.795 128.246 122.820 -0.616 0.000 2.415 655 A HA -0.103 4.216 4.320 -0.000 0.000 0.292 655 A C -1.717 175.757 177.584 -0.184 0.000 1.452 655 A CA 0.417 52.018 52.037 -0.726 0.000 0.750 655 A CB -1.530 17.097 19.000 -0.622 0.000 1.099 655 A HN 0.619 nan 8.150 nan 0.000 0.391 656 P HA 0.417 nan 4.420 nan 0.000 0.277 656 P C 0.035 177.313 177.300 -0.037 0.000 1.240 656 P CA -0.207 62.883 63.100 -0.017 0.000 0.798 656 P CB 1.381 33.084 31.700 0.005 0.000 0.979 657 V N 2.424 122.221 119.914 -0.195 0.000 2.498 657 V HA 0.072 4.192 4.120 -0.000 0.000 0.279 657 V C 1.695 177.570 176.094 -0.364 0.000 1.048 657 V CA 0.691 62.722 62.300 -0.448 0.000 0.967 657 V CB 0.828 32.024 31.823 -1.045 0.000 0.988 657 V HN 0.788 nan 8.190 nan 0.000 0.473 658 S N 4.524 120.056 115.700 -0.280 0.000 2.514 658 S HA 0.219 4.689 4.470 -0.000 0.000 0.223 658 S C 0.533 174.930 174.600 -0.339 0.000 1.046 658 S CA -0.370 57.724 58.200 -0.176 0.000 0.914 658 S CB 0.237 63.401 63.200 -0.059 0.000 0.807 658 S HN 0.826 nan 8.310 nan 0.000 0.497 659 R N -1.172 118.964 120.500 -0.605 0.000 2.536 659 R HA 0.348 4.688 4.340 -0.000 0.000 0.269 659 R C -1.013 174.883 176.300 -0.674 0.000 1.113 659 R CA -0.879 54.821 56.100 -0.668 0.000 0.948 659 R CB -0.149 29.745 30.300 -0.676 0.000 1.237 659 R HN 0.151 nan 8.270 nan 0.000 0.441 660 W N 1.751 122.935 121.300 -0.193 0.000 2.387 660 W HA -0.077 4.583 4.660 -0.000 0.000 0.272 660 W C 1.171 177.823 176.519 0.223 0.000 1.224 660 W CA 0.927 58.258 57.345 -0.024 0.000 1.210 660 W CB 0.148 29.493 29.460 -0.192 0.000 1.125 660 W HN 0.737 nan 8.180 nan 0.000 0.572 661 E N -1.141 119.244 120.200 0.309 0.000 2.338 661 E HA -0.183 4.167 4.350 -0.000 0.000 0.197 661 E C 1.438 178.241 176.600 0.338 0.000 1.007 661 E CA 0.921 57.492 56.400 0.286 0.000 0.849 661 E CB -0.310 29.468 29.700 0.130 0.000 0.774 661 E HN 0.346 nan 8.360 nan 0.000 0.506 662 Y N -1.288 119.103 120.300 0.152 0.000 2.475 662 Y HA 0.031 4.581 4.550 -0.000 0.000 0.289 662 Y C 0.794 176.789 175.900 0.159 0.000 1.121 662 Y CA -0.264 57.888 58.100 0.087 0.000 1.257 662 Y CB -0.608 37.844 38.460 -0.014 0.000 1.026 662 Y HN 0.027 nan 8.280 nan 0.000 0.555 663 Y N 2.192 122.647 120.300 0.259 0.000 2.295 663 Y HA 0.234 4.784 4.550 -0.000 0.000 0.331 663 Y C 0.471 176.596 175.900 0.375 0.000 1.311 663 Y CA -1.944 56.325 58.100 0.281 0.000 1.430 663 Y CB 0.241 38.919 38.460 0.363 0.000 1.339 663 Y HN 0.210 nan 8.280 nan 0.000 0.552 664 D N -0.497 119.665 120.400 -0.396 0.000 2.368 664 D HA 0.069 4.709 4.640 -0.000 0.000 0.240 664 D C 0.924 177.204 176.300 -0.034 0.000 1.169 664 D CA 0.412 54.227 54.000 -0.309 0.000 0.906 664 D CB 0.780 41.184 40.800 -0.659 0.000 1.187 664 D HN 0.473 nan 8.370 nan 0.000 0.435 665 S N 1.135 116.824 115.700 -0.018 0.000 2.343 665 S HA -0.226 4.243 4.470 -0.000 0.000 0.219 665 S C 2.021 176.644 174.600 0.038 0.000 1.033 665 S CA 1.188 59.427 58.200 0.064 0.000 1.014 665 S CB -1.115 62.128 63.200 0.073 0.000 0.915 665 S HN 0.443 nan 8.310 nan 0.000 0.435 666 V N 1.015 120.896 119.914 -0.055 0.000 2.278 666 V HA -0.234 3.886 4.120 -0.000 0.000 0.251 666 V C 2.292 178.279 176.094 -0.177 0.000 1.062 666 V CA 2.430 64.597 62.300 -0.222 0.000 1.038 666 V CB -1.128 30.417 31.823 -0.464 0.000 0.646 666 V HN 0.581 nan 8.190 nan 0.000 0.447 667 Y N 1.204 121.413 120.300 -0.153 0.000 2.114 667 Y HA -0.217 4.332 4.550 -0.000 0.000 0.284 667 Y C 2.782 178.639 175.900 -0.071 0.000 1.119 667 Y CA 2.347 60.419 58.100 -0.047 0.000 1.108 667 Y CB -0.717 37.911 38.460 0.279 0.000 0.995 667 Y HN 0.212 nan 8.280 nan 0.000 0.491 668 T N 0.471 115.221 114.554 0.327 0.000 2.580 668 T HA -0.276 4.074 4.350 -0.000 0.000 0.265 668 T C 1.611 176.260 174.700 -0.086 0.000 1.063 668 T CA 2.134 64.340 62.100 0.177 0.000 1.170 668 T CB -0.508 68.630 68.868 0.450 0.000 0.863 668 T HN 0.421 nan 8.240 nan 0.000 0.418 669 E N 0.402 120.602 120.200 -0.000 0.000 2.171 669 E HA -0.186 4.164 4.350 -0.000 0.000 0.197 669 E C 2.334 178.807 176.600 -0.212 0.000 0.997 669 E CA 0.885 57.273 56.400 -0.020 0.000 0.810 669 E CB -0.177 29.552 29.700 0.048 0.000 0.738 669 E HN 0.358 nan 8.360 nan 0.000 0.467 670 R N -0.055 120.160 120.500 -0.476 0.000 2.105 670 R HA -0.197 4.143 4.340 -0.000 0.000 0.239 670 R C 1.246 176.997 176.300 -0.915 0.000 1.135 670 R CA 1.658 57.287 56.100 -0.785 0.000 0.967 670 R CB -0.045 29.482 30.300 -1.288 0.000 0.861 670 R HN 0.316 nan 8.270 nan 0.000 0.442 671 Y N -2.547 117.415 120.300 -0.562 0.000 2.498 671 Y HA 0.235 4.785 4.550 -0.000 0.000 0.259 671 Y C 1.616 177.318 175.900 -0.330 0.000 1.086 671 Y CA -0.450 57.318 58.100 -0.555 0.000 1.287 671 Y CB 0.601 38.589 38.460 -0.786 0.000 1.146 671 Y HN -0.031 nan 8.280 nan 0.000 0.523 672 M N -0.162 119.320 119.600 -0.196 0.000 2.308 672 M HA 0.366 4.846 4.480 -0.000 0.000 0.269 672 M C 1.009 177.355 176.300 0.076 0.000 1.040 672 M CA 0.680 55.885 55.300 -0.157 0.000 1.024 672 M CB -0.064 32.230 32.600 -0.510 0.000 1.465 672 M HN 0.330 nan 8.290 nan 0.000 0.517 673 G N 1.885 110.727 108.800 0.070 0.000 2.645 673 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.239 673 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.239 673 G C -0.533 174.488 174.900 0.201 0.000 1.331 673 G CA -0.760 44.407 45.100 0.111 0.000 0.890 673 G HN 0.357 nan 8.290 nan 0.000 0.572 674 L N 1.785 123.075 121.223 0.111 0.000 2.312 674 L HA 0.411 4.751 4.340 -0.000 0.000 0.281 674 L C -1.298 175.503 176.870 -0.115 0.000 1.070 674 L CA -1.766 53.083 54.840 0.015 0.000 0.805 674 L CB 1.789 43.839 42.059 -0.015 0.000 1.174 674 L HN 0.456 nan 8.230 nan 0.000 0.434 675 P HA 0.018 nan 4.420 nan 0.000 0.249 675 P C -0.274 176.847 177.300 -0.299 0.000 1.686 675 P CA -0.032 62.594 63.100 -0.790 0.000 0.873 675 P CB -0.610 30.363 31.700 -1.213 0.000 1.828 676 T N -3.366 111.099 114.554 -0.149 0.000 2.885 676 T HA 0.417 4.766 4.350 -0.000 0.000 0.285 676 T C -1.796 172.879 174.700 -0.043 0.000 1.019 676 T CA -2.461 59.590 62.100 -0.081 0.000 1.010 676 T CB 2.019 70.852 68.868 -0.058 0.000 1.022 676 T HN -0.195 nan 8.240 nan 0.000 0.466 677 P HA -0.096 nan 4.420 nan 0.000 0.223 677 P C 0.745 178.035 177.300 -0.017 0.000 1.144 677 P CA 1.047 64.137 63.100 -0.016 0.000 0.783 677 P CB 0.185 31.878 31.700 -0.012 0.000 0.771 678 E N -1.055 119.133 120.200 -0.020 0.000 2.481 678 E HA -0.045 4.305 4.350 -0.000 0.000 0.195 678 E C 1.051 177.640 176.600 -0.018 0.000 1.047 678 E CA 0.255 56.643 56.400 -0.019 0.000 0.867 678 E CB 0.107 29.796 29.700 -0.019 0.000 0.858 678 E HN 0.305 nan 8.360 nan 0.000 0.513 679 D N 0.098 120.488 120.400 -0.017 0.000 3.127 679 D HA 0.001 4.641 4.640 -0.000 0.000 0.177 679 D C 0.226 176.521 176.300 -0.008 0.000 1.288 679 D CA -0.079 53.916 54.000 -0.008 0.000 1.529 679 D CB -0.073 40.731 40.800 0.006 0.000 1.196 679 D HN -0.124 nan 8.370 nan 0.000 0.174 680 N N 0.242 118.967 118.700 0.040 0.000 2.282 680 N HA 0.113 4.853 4.740 -0.000 0.000 0.240 680 N C 1.109 176.739 175.510 0.199 0.000 1.182 680 N CA -0.086 53.011 53.050 0.078 0.000 0.874 680 N CB 0.143 38.724 38.487 0.157 0.000 1.126 680 N HN 0.129 nan 8.380 nan 0.000 0.516 681 L N 0.368 121.646 121.223 0.092 0.000 2.081 681 L HA -0.150 4.189 4.340 -0.000 0.000 0.212 681 L C 1.198 178.169 176.870 0.168 0.000 1.080 681 L CA 1.959 56.853 54.840 0.090 0.000 0.754 681 L CB -0.463 41.599 42.059 0.004 0.000 0.893 681 L HN 0.162 nan 8.230 nan 0.000 0.433 682 D N -1.137 119.331 120.400 0.113 0.000 2.104 682 D HA -0.215 4.424 4.640 -0.000 0.000 0.194 682 D C 2.061 178.524 176.300 0.272 0.000 0.994 682 D CA 1.881 55.967 54.000 0.144 0.000 0.830 682 D CB -0.308 40.545 40.800 0.089 0.000 0.959 682 D HN 0.621 nan 8.370 nan 0.000 0.452 683 H N -1.557 117.594 119.070 0.136 0.000 2.495 683 H HA -0.066 4.490 4.556 -0.000 0.000 0.287 683 H C 1.674 177.077 175.328 0.126 0.000 1.033 683 H CA 0.296 56.405 56.048 0.102 0.000 1.307 683 H CB 0.200 29.992 29.762 0.051 0.000 1.401 683 H HN 0.195 nan 8.280 nan 0.000 0.555 684 Y N 0.956 121.375 120.300 0.199 0.000 2.163 684 Y HA -0.131 4.418 4.550 -0.000 0.000 0.288 684 Y C 2.460 178.436 175.900 0.127 0.000 1.136 684 Y CA 1.199 59.403 58.100 0.174 0.000 1.147 684 Y CB 0.060 38.595 38.460 0.125 0.000 0.987 684 Y HN 0.002 nan 8.280 nan 0.000 0.509 685 R N -0.241 120.418 120.500 0.266 0.000 2.235 685 R HA -0.094 4.246 4.340 -0.000 0.000 0.213 685 R C 1.619 177.986 176.300 0.111 0.000 1.059 685 R CA 0.714 56.902 56.100 0.147 0.000 0.997 685 R CB -0.230 30.137 30.300 0.111 0.000 0.884 685 R HN 0.363 nan 8.270 nan 0.000 0.462 686 N N 0.683 119.463 118.700 0.133 0.000 2.424 686 N HA -0.052 4.688 4.740 -0.000 0.000 0.178 686 N C 0.512 176.064 175.510 0.070 0.000 1.060 686 N CA 0.736 53.839 53.050 0.089 0.000 0.901 686 N CB 0.382 38.923 38.487 0.091 0.000 0.979 686 N HN 0.109 nan 8.380 nan 0.000 0.451 687 S N -0.621 115.145 115.700 0.110 0.000 2.552 687 S HA 0.198 4.668 4.470 -0.000 0.000 0.246 687 S C 0.380 175.068 174.600 0.146 0.000 1.019 687 S CA -0.606 57.684 58.200 0.149 0.000 1.045 687 S CB 0.050 63.406 63.200 0.259 0.000 0.784 687 S HN -0.119 nan 8.310 nan 0.000 0.453 688 T N 1.610 116.199 114.554 0.058 0.000 2.907 688 T HA 0.276 4.625 4.350 -0.000 0.000 0.298 688 T C 1.421 176.114 174.700 -0.011 0.000 1.017 688 T CA -0.338 61.759 62.100 -0.006 0.000 1.118 688 T CB 1.458 70.305 68.868 -0.035 0.000 0.948 688 T HN 0.111 nan 8.240 nan 0.000 0.531 689 V N 3.996 123.888 119.914 -0.036 0.000 2.407 689 V HA -0.128 3.992 4.120 -0.000 0.000 0.245 689 V C 2.582 178.611 176.094 -0.108 0.000 1.041 689 V CA 1.192 63.452 62.300 -0.067 0.000 1.040 689 V CB -0.469 31.303 31.823 -0.085 0.000 0.671 689 V HN 0.842 nan 8.190 nan 0.000 0.455 690 M N 1.153 120.683 119.600 -0.117 0.000 2.358 690 M HA -0.089 4.391 4.480 -0.000 0.000 0.264 690 M C 2.193 178.445 176.300 -0.081 0.000 1.064 690 M CA 2.095 57.317 55.300 -0.130 0.000 1.093 690 M CB -2.029 30.515 32.600 -0.093 0.000 1.401 690 M HN 0.540 nan 8.290 nan 0.000 0.440 691 S N 0.634 116.306 115.700 -0.046 0.000 2.555 691 S HA 0.013 4.482 4.470 -0.000 0.000 0.230 691 S C 1.627 176.226 174.600 -0.003 0.000 0.978 691 S CA 0.178 58.367 58.200 -0.018 0.000 0.934 691 S CB -0.365 62.833 63.200 -0.004 0.000 0.766 691 S HN 0.663 nan 8.310 nan 0.000 0.533 692 R N 0.149 120.652 120.500 0.005 0.000 2.509 692 R HA 0.472 4.812 4.340 -0.000 0.000 0.300 692 R C 1.985 178.371 176.300 0.143 0.000 0.985 692 R CA 0.402 56.542 56.100 0.067 0.000 1.092 692 R CB -0.063 30.291 30.300 0.090 0.000 1.237 692 R HN 0.418 nan 8.270 nan 0.000 0.546 693 A N 1.832 124.654 122.820 0.003 0.000 1.903 693 A HA -0.264 4.056 4.320 -0.000 0.000 0.219 693 A C 1.911 179.561 177.584 0.110 0.000 1.191 693 A CA 1.538 53.533 52.037 -0.070 0.000 0.638 693 A CB -0.198 18.730 19.000 -0.121 0.000 0.823 693 A HN 0.200 nan 8.150 nan 0.000 0.451 694 E N 0.391 120.643 120.200 0.087 0.000 2.048 694 E HA -0.215 4.135 4.350 -0.000 0.000 0.202 694 E C 1.579 178.252 176.600 0.122 0.000 1.021 694 E CA 1.517 57.971 56.400 0.090 0.000 0.825 694 E CB -0.575 29.157 29.700 0.053 0.000 0.756 694 E HN 0.639 nan 8.360 nan 0.000 0.454 695 N N 0.231 118.995 118.700 0.106 0.000 2.651 695 N HA -0.149 4.591 4.740 -0.000 0.000 0.193 695 N C 1.310 176.806 175.510 -0.023 0.000 1.149 695 N CA 0.486 53.552 53.050 0.026 0.000 0.933 695 N CB -0.375 38.085 38.487 -0.044 0.000 0.974 695 N HN 0.136 nan 8.380 nan 0.000 0.448 696 F N 1.234 121.145 119.950 -0.065 0.000 2.780 696 F HA 0.098 4.625 4.527 -0.000 0.000 0.299 696 F C 1.834 177.643 175.800 0.015 0.000 1.146 696 F CA 0.382 58.341 58.000 -0.069 0.000 1.428 696 F CB 0.133 39.053 39.000 -0.133 0.000 1.115 696 F HN -0.037 nan 8.300 nan 0.000 0.583 697 K N 0.128 120.626 120.400 0.163 0.000 2.362 697 K HA -0.143 4.177 4.320 -0.000 0.000 0.200 697 K C 0.849 177.504 176.600 0.092 0.000 1.046 697 K CA 0.942 57.307 56.287 0.129 0.000 0.952 697 K CB -0.293 32.264 32.500 0.096 0.000 0.753 697 K HN 0.433 nan 8.250 nan 0.000 0.466 698 Q N 0.825 120.655 119.800 0.051 0.000 2.217 698 Q HA 0.189 4.529 4.340 -0.000 0.000 0.226 698 Q C -0.660 175.361 176.000 0.034 0.000 0.875 698 Q CA -0.171 55.653 55.803 0.034 0.000 0.974 698 Q CB 0.709 29.451 28.738 0.007 0.000 1.079 698 Q HN -0.083 nan 8.270 nan 0.000 0.463 699 V N 0.405 120.358 119.914 0.066 0.000 3.048 699 V HA 0.177 4.297 4.120 -0.000 0.000 0.303 699 V C -0.980 175.241 176.094 0.211 0.000 1.214 699 V CA -0.963 61.393 62.300 0.094 0.000 0.984 699 V CB 2.778 34.581 31.823 -0.034 0.000 1.054 699 V HN 0.181 nan 8.190 nan 0.000 0.430 700 E N 2.515 122.867 120.200 0.253 0.000 2.130 700 E HA 0.375 4.724 4.350 -0.000 0.000 0.284 700 E C -1.714 175.244 176.600 0.596 0.000 1.018 700 E CA -0.333 56.286 56.400 0.366 0.000 0.817 700 E CB 1.403 31.240 29.700 0.227 0.000 1.078 700 E HN 0.513 nan 8.360 nan 0.000 0.396 701 Y N 3.612 124.165 120.300 0.422 0.000 2.393 701 Y HA 0.439 4.989 4.550 -0.000 0.000 0.341 701 Y C -1.504 174.488 175.900 0.154 0.000 0.988 701 Y CA -1.518 56.777 58.100 0.325 0.000 1.078 701 Y CB 1.023 39.718 38.460 0.393 0.000 1.203 701 Y HN 0.397 nan 8.280 nan 0.000 0.453 702 L N 7.773 128.679 121.223 -0.528 0.000 2.343 702 L HA 0.554 4.894 4.340 -0.000 0.000 0.278 702 L C -2.196 174.211 176.870 -0.771 0.000 0.996 702 L CA -0.764 53.632 54.840 -0.740 0.000 0.831 702 L CB 1.216 42.498 42.059 -1.295 0.000 1.232 702 L HN 0.646 nan 8.230 nan 0.000 0.413 703 L N 6.625 127.481 121.223 -0.611 0.000 2.287 703 L HA 0.655 4.994 4.340 -0.000 0.000 0.287 703 L C -0.955 175.786 176.870 -0.216 0.000 1.022 703 L CA 0.066 54.616 54.840 -0.483 0.000 0.814 703 L CB 0.967 42.768 42.059 -0.431 0.000 1.217 703 L HN 0.579 nan 8.230 nan 0.000 0.420 704 I N 4.512 124.964 120.570 -0.196 0.000 2.509 704 I HA 0.448 4.618 4.170 -0.000 0.000 0.293 704 I C -1.051 175.036 176.117 -0.050 0.000 1.020 704 I CA -0.720 60.521 61.300 -0.098 0.000 1.088 704 I CB 1.948 39.852 38.000 -0.159 0.000 1.267 704 I HN 0.656 nan 8.210 nan 0.000 0.430 705 H N 2.226 121.344 119.070 0.079 0.000 3.046 705 H HA 0.517 5.073 4.556 -0.000 0.000 0.363 705 H C -0.334 175.203 175.328 0.347 0.000 1.203 705 H CA -0.559 55.579 56.048 0.151 0.000 1.169 705 H CB 2.077 31.885 29.762 0.076 0.000 1.851 705 H HN 0.727 nan 8.280 nan 0.000 0.546 706 G N 1.427 110.547 108.800 0.535 0.000 2.390 706 G HA2 0.142 4.102 3.960 -0.000 0.000 0.270 706 G HA3 0.142 4.102 3.960 -0.000 0.000 0.270 706 G C 0.768 175.964 174.900 0.493 0.000 1.211 706 G CA -0.110 45.280 45.100 0.484 0.000 0.842 706 G HN 0.716 nan 8.290 nan 0.000 0.519 707 T N 1.816 116.552 114.554 0.304 0.000 2.833 707 T HA -0.043 4.307 4.350 -0.000 0.000 0.269 707 T C 2.088 176.799 174.700 0.018 0.000 1.054 707 T CA 1.838 63.986 62.100 0.081 0.000 1.135 707 T CB -0.033 68.894 68.868 0.099 0.000 0.869 707 T HN 0.642 nan 8.240 nan 0.000 0.466 708 A N 0.779 123.607 122.820 0.014 0.000 2.630 708 A HA 0.257 4.576 4.320 -0.000 0.000 0.290 708 A C 0.227 177.544 177.584 -0.445 0.000 1.267 708 A CA -0.423 51.372 52.037 -0.404 0.000 0.950 708 A CB 0.046 19.065 19.000 0.032 0.000 1.144 708 A HN 0.212 nan 8.150 nan 0.000 0.527 709 D N 1.695 122.054 120.400 -0.067 0.000 2.349 709 D HA -0.025 4.615 4.640 -0.000 0.000 0.266 709 D C 0.309 176.633 176.300 0.041 0.000 1.293 709 D CA 0.291 54.379 54.000 0.146 0.000 0.926 709 D CB 0.639 41.713 40.800 0.456 0.000 1.090 709 D HN 0.592 nan 8.370 nan 0.000 0.502 710 D N 2.275 122.698 120.400 0.039 0.000 2.349 710 D HA -0.125 4.514 4.640 -0.000 0.000 0.215 710 D C 0.955 177.301 176.300 0.076 0.000 1.016 710 D CA -0.178 53.830 54.000 0.014 0.000 0.870 710 D CB 0.434 41.177 40.800 -0.095 0.000 0.917 710 D HN 0.214 nan 8.370 nan 0.000 0.524 711 N N 1.007 119.827 118.700 0.200 0.000 2.335 711 N HA -0.056 4.684 4.740 -0.000 0.000 0.197 711 N C 0.002 175.507 175.510 -0.009 0.000 1.045 711 N CA 0.578 53.762 53.050 0.223 0.000 0.928 711 N CB 0.327 38.845 38.487 0.052 0.000 1.118 711 N HN -0.098 nan 8.380 nan 0.000 0.471 712 V N 2.964 122.882 119.914 0.006 0.000 2.304 712 V HA 0.212 4.332 4.120 -0.000 0.000 0.269 712 V C -0.496 175.709 176.094 0.186 0.000 1.036 712 V CA -0.452 61.902 62.300 0.089 0.000 0.840 712 V CB -0.209 31.726 31.823 0.186 0.000 1.036 712 V HN 0.294 nan 8.190 nan 0.000 0.466 713 H N 3.375 122.451 119.070 0.010 0.000 2.871 713 H HA 0.011 4.567 4.556 -0.000 0.000 0.355 713 H C 0.811 176.037 175.328 -0.170 0.000 1.092 713 H CA -0.208 55.785 56.048 -0.093 0.000 1.420 713 H CB 0.840 30.439 29.762 -0.272 0.000 1.400 713 H HN 0.628 nan 8.280 nan 0.000 0.604 714 F N 1.997 121.784 119.950 -0.271 0.000 2.184 714 F HA -0.318 4.209 4.527 -0.000 0.000 0.301 714 F C 2.588 178.132 175.800 -0.428 0.000 1.076 714 F CA 1.817 59.434 58.000 -0.639 0.000 1.295 714 F CB -0.186 38.618 39.000 -0.328 0.000 1.026 714 F HN 0.663 nan 8.300 nan 0.000 0.494 715 Q N 0.182 119.861 119.800 -0.201 0.000 2.118 715 Q HA -0.320 4.019 4.340 -0.000 0.000 0.211 715 Q C 2.111 177.892 176.000 -0.365 0.000 0.998 715 Q CA 2.349 57.977 55.803 -0.292 0.000 0.872 715 Q CB -0.378 28.139 28.738 -0.368 0.000 0.925 715 Q HN 0.580 nan 8.270 nan 0.000 0.414 716 Q N -0.230 119.406 119.800 -0.274 0.000 2.077 716 Q HA -0.152 4.188 4.340 -0.000 0.000 0.206 716 Q C 2.271 178.184 176.000 -0.145 0.000 0.989 716 Q CA 1.884 57.653 55.803 -0.057 0.000 0.853 716 Q CB -0.197 28.569 28.738 0.046 0.000 0.907 716 Q HN 0.355 nan 8.270 nan 0.000 0.418 717 S N 0.674 116.167 115.700 -0.345 0.000 2.395 717 S HA 0.001 4.471 4.470 -0.000 0.000 0.225 717 S C 2.073 176.424 174.600 -0.414 0.000 1.027 717 S CA 0.715 58.705 58.200 -0.350 0.000 0.965 717 S CB -0.127 62.837 63.200 -0.393 0.000 0.812 717 S HN 0.484 nan 8.310 nan 0.000 0.482 718 A N 1.092 123.569 122.820 -0.572 0.000 1.940 718 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 718 A C 2.095 179.577 177.584 -0.169 0.000 1.176 718 A CA 1.651 53.488 52.037 -0.333 0.000 0.631 718 A CB -0.584 18.287 19.000 -0.216 0.000 0.814 718 A HN 0.381 nan 8.150 nan 0.000 0.446 719 Q N -0.236 119.473 119.800 -0.152 0.000 2.123 719 Q HA 0.041 4.381 4.340 -0.000 0.000 0.199 719 Q C 1.805 177.753 176.000 -0.087 0.000 0.966 719 Q CA 1.259 57.029 55.803 -0.055 0.000 0.845 719 Q CB -0.347 28.444 28.738 0.087 0.000 0.907 719 Q HN 0.730 nan 8.270 nan 0.000 0.439 720 I N -0.185 120.300 120.570 -0.142 0.000 2.133 720 I HA -0.300 3.870 4.170 -0.000 0.000 0.238 720 I C 2.221 178.166 176.117 -0.287 0.000 1.074 720 I CA 1.389 62.557 61.300 -0.220 0.000 1.342 720 I CB -0.557 37.311 38.000 -0.221 0.000 1.053 720 I HN 0.257 nan 8.210 nan 0.000 0.404 721 S N 0.818 116.360 115.700 -0.263 0.000 2.374 721 S HA -0.305 4.165 4.470 -0.000 0.000 0.227 721 S C 2.030 176.603 174.600 -0.046 0.000 1.037 721 S CA 1.537 59.612 58.200 -0.208 0.000 1.024 721 S CB -0.542 62.682 63.200 0.040 0.000 0.861 721 S HN 0.366 nan 8.310 nan 0.000 0.456 722 K N 1.582 121.958 120.400 -0.041 0.000 2.026 722 K HA -0.026 4.293 4.320 -0.000 0.000 0.208 722 K C 2.441 179.027 176.600 -0.025 0.000 1.048 722 K CA 1.173 57.458 56.287 -0.005 0.000 0.929 722 K CB -0.646 31.847 32.500 -0.012 0.000 0.713 722 K HN 0.466 nan 8.250 nan 0.000 0.439 723 A N 1.251 124.023 122.820 -0.079 0.000 1.908 723 A HA -0.158 4.162 4.320 -0.000 0.000 0.218 723 A C 2.096 179.620 177.584 -0.100 0.000 1.181 723 A CA 1.387 53.368 52.037 -0.094 0.000 0.627 723 A CB -0.620 18.295 19.000 -0.141 0.000 0.818 723 A HN 0.300 nan 8.150 nan 0.000 0.445 724 L N -0.702 120.423 121.223 -0.162 0.000 2.093 724 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 724 L C 2.480 179.405 176.870 0.091 0.000 1.085 724 L CA 0.840 55.618 54.840 -0.103 0.000 0.755 724 L CB -0.540 41.351 42.059 -0.279 0.000 0.904 724 L HN 0.237 nan 8.230 nan 0.000 0.435 725 V N -0.176 119.824 119.914 0.143 0.000 2.407 725 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 725 V C 1.932 178.075 176.094 0.082 0.000 1.055 725 V CA 1.755 64.148 62.300 0.156 0.000 1.049 725 V CB -0.474 31.438 31.823 0.148 0.000 0.662 725 V HN 0.431 nan 8.190 nan 0.000 0.455 726 D N 0.333 120.761 120.400 0.048 0.000 2.269 726 D HA -0.009 4.631 4.640 -0.000 0.000 0.208 726 D C 1.974 178.293 176.300 0.032 0.000 0.963 726 D CA 1.323 55.342 54.000 0.032 0.000 0.864 726 D CB -0.022 40.787 40.800 0.016 0.000 0.936 726 D HN 0.478 nan 8.370 nan 0.000 0.505 727 A N -0.126 122.714 122.820 0.034 0.000 2.218 727 A HA 0.416 4.736 4.320 -0.000 0.000 0.209 727 A C 1.621 179.241 177.584 0.059 0.000 1.168 727 A CA 0.809 52.868 52.037 0.038 0.000 0.804 727 A CB -0.124 18.893 19.000 0.028 0.000 0.834 727 A HN 0.185 nan 8.150 nan 0.000 0.482 728 G N -0.689 108.155 108.800 0.073 0.000 2.256 728 G HA2 -0.141 3.818 3.960 -0.000 0.000 0.272 728 G HA3 -0.141 3.818 3.960 -0.000 0.000 0.272 728 G C -0.117 174.847 174.900 0.107 0.000 1.076 728 G CA 0.221 45.369 45.100 0.081 0.000 0.882 728 G HN 0.858 nan 8.290 nan 0.000 0.497 729 V N 0.413 120.419 119.914 0.154 0.000 2.370 729 V HA 0.466 4.586 4.120 -0.000 0.000 0.283 729 V C 0.392 176.666 176.094 0.300 0.000 1.023 729 V CA -0.763 61.663 62.300 0.209 0.000 0.857 729 V CB 1.727 33.682 31.823 0.220 0.000 0.985 729 V HN 0.424 nan 8.190 nan 0.000 0.443 730 D N 3.871 124.403 120.400 0.220 0.000 2.339 730 D HA 0.607 5.247 4.640 -0.000 0.000 0.245 730 D C -0.519 175.972 176.300 0.318 0.000 1.115 730 D CA 0.337 54.427 54.000 0.150 0.000 0.917 730 D CB 0.819 41.660 40.800 0.068 0.000 1.192 730 D HN 0.399 nan 8.370 nan 0.000 0.428 731 F N -1.224 118.816 119.950 0.150 0.000 2.858 731 F HA 0.416 4.943 4.527 -0.000 0.000 0.319 731 F C -1.642 174.226 175.800 0.113 0.000 1.166 731 F CA -1.091 57.025 58.000 0.193 0.000 0.899 731 F CB 0.775 39.939 39.000 0.273 0.000 1.332 731 F HN 0.198 nan 8.300 nan 0.000 0.461 732 Q N 1.243 121.188 119.800 0.241 0.000 2.342 732 Q HA 0.842 5.181 4.340 -0.000 0.000 0.267 732 Q C -1.044 175.038 176.000 0.137 0.000 1.038 732 Q CA -1.187 54.657 55.803 0.069 0.000 0.832 732 Q CB 2.419 31.220 28.738 0.106 0.000 1.323 732 Q HN 0.965 nan 8.270 nan 0.000 0.448 733 A N 1.995 124.856 122.820 0.068 0.000 2.430 733 A HA 0.921 5.241 4.320 -0.000 0.000 0.300 733 A C -1.371 176.189 177.584 -0.040 0.000 1.124 733 A CA -0.604 51.487 52.037 0.091 0.000 0.766 733 A CB 1.885 21.038 19.000 0.255 0.000 1.328 733 A HN 0.640 nan 8.150 nan 0.000 0.424 734 M N 0.932 120.488 119.600 -0.072 0.000 2.296 734 M HA 0.535 5.015 4.480 -0.000 0.000 0.268 734 M C -2.154 174.051 176.300 -0.160 0.000 1.048 734 M CA -0.495 54.618 55.300 -0.311 0.000 0.966 734 M CB 1.175 33.501 32.600 -0.457 0.000 1.912 734 M HN 0.953 nan 8.290 nan 0.000 0.484 735 W N 4.456 125.614 121.300 -0.236 0.000 2.639 735 W HA 0.792 5.451 4.660 -0.000 0.000 0.347 735 W C -2.107 174.183 176.519 -0.381 0.000 1.067 735 W CA -0.998 56.295 57.345 -0.087 0.000 1.218 735 W CB 0.476 29.939 29.460 0.004 0.000 1.393 735 W HN 0.625 nan 8.180 nan 0.000 0.557 736 Y N 2.537 122.990 120.300 0.255 0.000 2.447 736 Y HA 0.295 4.845 4.550 -0.000 0.000 0.325 736 Y C 0.553 176.584 175.900 0.218 0.000 0.976 736 Y CA -0.975 57.187 58.100 0.103 0.000 1.280 736 Y CB 1.443 39.923 38.460 0.033 0.000 1.104 736 Y HN 0.428 nan 8.280 nan 0.000 0.486 737 T N 4.497 119.238 114.554 0.313 0.000 2.822 737 T HA -0.062 4.288 4.350 -0.000 0.000 0.288 737 T C 0.131 174.938 174.700 0.178 0.000 0.991 737 T CA 0.692 62.923 62.100 0.218 0.000 1.176 737 T CB -0.207 68.721 68.868 0.099 0.000 0.951 737 T HN 0.687 nan 8.240 nan 0.000 0.526 738 D N 1.186 121.693 120.400 0.179 0.000 2.983 738 D HA -0.122 4.517 4.640 -0.000 0.000 0.225 738 D C 0.205 176.670 176.300 0.275 0.000 1.174 738 D CA 1.055 55.148 54.000 0.154 0.000 0.831 738 D CB -0.401 40.294 40.800 -0.175 0.000 1.104 738 D HN 0.529 nan 8.370 nan 0.000 0.421 739 E N 0.470 120.827 120.200 0.262 0.000 2.242 739 E HA 0.254 4.604 4.350 -0.000 0.000 0.275 739 E C 0.541 177.290 176.600 0.249 0.000 1.002 739 E CA -0.462 56.090 56.400 0.253 0.000 0.841 739 E CB 1.316 31.162 29.700 0.243 0.000 1.109 739 E HN 0.076 nan 8.360 nan 0.000 0.394 740 D N -0.021 120.527 120.400 0.246 0.000 2.356 740 D HA -0.070 4.570 4.640 -0.000 0.000 0.258 740 D C 0.925 177.407 176.300 0.303 0.000 1.279 740 D CA 0.041 54.199 54.000 0.264 0.000 1.016 740 D CB 0.500 41.457 40.800 0.262 0.000 1.107 740 D HN 0.478 nan 8.370 nan 0.000 0.544 741 H N -1.433 117.783 119.070 0.243 0.000 2.546 741 H HA 0.151 4.707 4.556 -0.000 0.000 0.277 741 H C 1.465 177.012 175.328 0.364 0.000 1.004 741 H CA 1.692 57.910 56.048 0.282 0.000 1.231 741 H CB -0.008 29.919 29.762 0.274 0.000 1.382 741 H HN 0.313 nan 8.280 nan 0.000 0.580 742 G N -0.456 108.474 108.800 0.217 0.000 3.020 742 G HA2 0.099 4.059 3.960 -0.000 0.000 0.217 742 G HA3 0.099 4.059 3.960 -0.000 0.000 0.217 742 G C 0.553 175.600 174.900 0.245 0.000 1.144 742 G CA 0.149 45.307 45.100 0.097 0.000 0.760 742 G HN 0.469 nan 8.290 nan 0.000 0.548 743 I N 0.180 120.903 120.570 0.254 0.000 6.272 743 I HA -0.334 3.836 4.170 -0.000 0.000 0.126 743 I C 1.576 177.783 176.117 0.151 0.000 1.619 743 I CA 0.209 61.611 61.300 0.170 0.000 2.452 743 I CB -1.156 36.905 38.000 0.103 0.000 3.064 743 I HN 0.259 nan 8.210 nan 0.000 0.279 744 A N 0.935 123.820 122.820 0.107 0.000 2.387 744 A HA 0.298 4.618 4.320 -0.000 0.000 0.234 744 A C 1.185 178.795 177.584 0.043 0.000 1.253 744 A CA 0.529 52.589 52.037 0.038 0.000 0.894 744 A CB 0.061 19.036 19.000 -0.041 0.000 0.963 744 A HN 0.635 nan 8.150 nan 0.000 0.508 745 S N -0.630 115.120 115.700 0.084 0.000 2.573 745 S HA 0.180 4.650 4.470 -0.000 0.000 0.277 745 S C 1.215 175.871 174.600 0.093 0.000 1.346 745 S CA 0.341 58.591 58.200 0.083 0.000 1.034 745 S CB 1.108 64.370 63.200 0.103 0.000 0.879 745 S HN 0.404 nan 8.310 nan 0.000 0.528 746 S N 2.178 117.922 115.700 0.073 0.000 2.377 746 S HA -0.204 4.266 4.470 -0.000 0.000 0.224 746 S C 2.149 176.811 174.600 0.103 0.000 1.042 746 S CA 2.485 60.736 58.200 0.084 0.000 1.086 746 S CB -1.628 61.601 63.200 0.049 0.000 0.995 746 S HN 1.048 nan 8.310 nan 0.000 0.428 747 T N 0.365 114.968 114.554 0.083 0.000 2.746 747 T HA 0.062 4.412 4.350 -0.000 0.000 0.267 747 T C 1.961 176.723 174.700 0.104 0.000 1.039 747 T CA 1.479 63.630 62.100 0.086 0.000 1.142 747 T CB -0.964 67.951 68.868 0.078 0.000 0.866 747 T HN 0.486 nan 8.240 nan 0.000 0.444 748 A N 1.633 124.503 122.820 0.082 0.000 1.898 748 A HA -0.107 4.212 4.320 -0.000 0.000 0.216 748 A C 2.222 179.777 177.584 -0.049 0.000 1.181 748 A CA 2.021 54.056 52.037 -0.004 0.000 0.620 748 A CB -1.229 17.743 19.000 -0.046 0.000 0.819 748 A HN 0.724 nan 8.150 nan 0.000 0.442 749 H N 0.092 119.145 119.070 -0.029 0.000 2.319 749 H HA -0.154 4.402 4.556 -0.000 0.000 0.299 749 H C 2.077 177.460 175.328 0.092 0.000 1.092 749 H CA 2.385 58.456 56.048 0.039 0.000 1.302 749 H CB -0.239 29.553 29.762 0.049 0.000 1.373 749 H HN 0.605 nan 8.280 nan 0.000 0.497 750 Q N -1.017 118.715 119.800 -0.114 0.000 2.046 750 Q HA -0.175 4.165 4.340 -0.000 0.000 0.200 750 Q C 2.251 178.206 176.000 -0.076 0.000 0.975 750 Q CA 1.227 56.934 55.803 -0.160 0.000 0.836 750 Q CB -0.283 28.417 28.738 -0.064 0.000 0.896 750 Q HN 0.628 nan 8.270 nan 0.000 0.428 751 H N 1.089 120.118 119.070 -0.068 0.000 2.319 751 H HA -0.109 4.447 4.556 -0.000 0.000 0.299 751 H C 2.008 177.324 175.328 -0.020 0.000 1.092 751 H CA 1.477 57.526 56.048 0.002 0.000 1.302 751 H CB -0.096 29.735 29.762 0.115 0.000 1.373 751 H HN 0.281 nan 8.280 nan 0.000 0.497 752 I N -0.073 120.483 120.570 -0.023 0.000 2.315 752 I HA -0.304 3.866 4.170 -0.000 0.000 0.248 752 I C 1.795 177.697 176.117 -0.358 0.000 1.117 752 I CA 1.169 62.358 61.300 -0.185 0.000 1.404 752 I CB -0.275 37.399 38.000 -0.543 0.000 1.071 752 I HN 0.147 nan 8.210 nan 0.000 0.419 753 Y N 0.469 120.566 120.300 -0.338 0.000 2.314 753 Y HA -0.178 4.372 4.550 -0.000 0.000 0.293 753 Y C 2.821 178.492 175.900 -0.381 0.000 1.129 753 Y CA 1.530 59.309 58.100 -0.535 0.000 1.201 753 Y CB -0.158 37.963 38.460 -0.566 0.000 0.999 753 Y HN 0.159 nan 8.280 nan 0.000 0.541 754 S N -1.212 114.375 115.700 -0.188 0.000 2.368 754 S HA -0.247 4.223 4.470 -0.000 0.000 0.224 754 S C 1.682 176.005 174.600 -0.462 0.000 1.029 754 S CA 1.500 59.498 58.200 -0.336 0.000 0.988 754 S CB -0.475 62.536 63.200 -0.315 0.000 0.838 754 S HN 0.540 nan 8.310 nan 0.000 0.462 755 H N 1.343 120.217 119.070 -0.327 0.000 2.353 755 H HA 0.073 4.629 4.556 -0.000 0.000 0.300 755 H C 2.014 177.301 175.328 -0.067 0.000 1.090 755 H CA 1.772 57.726 56.048 -0.158 0.000 1.327 755 H CB -0.175 29.550 29.762 -0.061 0.000 1.383 755 H HN 0.303 nan 8.280 nan 0.000 0.508 756 M N -0.979 118.572 119.600 -0.083 0.000 2.175 756 M HA -0.137 4.342 4.480 -0.000 0.000 0.264 756 M C 2.445 178.871 176.300 0.209 0.000 1.063 756 M CA 1.321 56.599 55.300 -0.036 0.000 1.119 756 M CB 0.081 32.454 32.600 -0.378 0.000 1.377 756 M HN 0.174 nan 8.290 nan 0.000 0.415 757 S N -0.321 115.512 115.700 0.221 0.000 2.359 757 S HA -0.186 4.283 4.470 -0.000 0.000 0.224 757 S C 1.613 176.339 174.600 0.209 0.000 1.035 757 S CA 1.419 59.839 58.200 0.367 0.000 1.018 757 S CB -0.711 62.660 63.200 0.285 0.000 0.876 757 S HN 0.575 nan 8.310 nan 0.000 0.448 758 H N -0.876 118.254 119.070 0.099 0.000 2.387 758 H HA -0.063 4.493 4.556 -0.000 0.000 0.299 758 H C 1.960 177.281 175.328 -0.011 0.000 1.090 758 H CA 1.349 57.404 56.048 0.011 0.000 1.332 758 H CB -0.176 29.542 29.762 -0.072 0.000 1.386 758 H HN 0.376 nan 8.280 nan 0.000 0.516 759 F N 1.223 121.151 119.950 -0.038 0.000 2.171 759 F HA -0.156 4.371 4.527 -0.000 0.000 0.300 759 F C 1.958 177.716 175.800 -0.070 0.000 1.090 759 F CA 1.081 59.035 58.000 -0.078 0.000 1.293 759 F CB -0.272 38.669 39.000 -0.097 0.000 1.013 759 F HN 0.025 nan 8.300 nan 0.000 0.486 760 L N -0.346 120.856 121.223 -0.035 0.000 2.109 760 L HA -0.195 4.145 4.340 -0.000 0.000 0.207 760 L C 2.447 179.181 176.870 -0.226 0.000 1.086 760 L CA 1.247 55.926 54.840 -0.269 0.000 0.760 760 L CB -0.681 41.309 42.059 -0.115 0.000 0.910 760 L HN 0.195 nan 8.230 nan 0.000 0.437 761 Q N -0.553 119.232 119.800 -0.025 0.000 2.084 761 Q HA -0.244 4.095 4.340 -0.000 0.000 0.202 761 Q C 2.230 178.214 176.000 -0.028 0.000 0.978 761 Q CA 1.472 57.298 55.803 0.039 0.000 0.844 761 Q CB -0.068 28.736 28.738 0.110 0.000 0.898 761 Q HN 0.546 nan 8.270 nan 0.000 0.426 762 Q N -0.152 119.582 119.800 -0.109 0.000 1.993 762 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 762 Q C 2.474 178.361 176.000 -0.188 0.000 0.984 762 Q CA 1.450 57.167 55.803 -0.142 0.000 0.837 762 Q CB -0.491 28.136 28.738 -0.186 0.000 0.902 762 Q HN 0.461 nan 8.270 nan 0.000 0.423 763 c N 0.224 118.587 118.600 -0.394 0.000 2.401 763 c HA -0.151 4.418 4.570 -0.000 0.000 0.276 763 c C 2.104 176.169 174.090 -0.043 0.000 1.233 763 c CA 0.707 56.821 56.329 -0.360 0.000 1.753 763 c CB -1.058 41.050 42.510 -0.671 0.000 2.029 763 c HN 0.493 nan 8.230 nan 0.000 0.478 764 F N 0.810 120.706 119.950 -0.089 0.000 2.692 764 F HA 0.125 4.651 4.527 -0.000 0.000 0.303 764 F C 1.502 177.280 175.800 -0.037 0.000 1.114 764 F CA 0.156 58.129 58.000 -0.044 0.000 1.361 764 F CB -0.077 38.907 39.000 -0.026 0.000 1.063 764 F HN 0.214 nan 8.300 nan 0.000 0.550 765 S N 0.578 116.354 115.700 0.125 0.000 3.587 765 S HA -0.213 4.257 4.470 -0.000 0.000 0.337 765 S C 0.994 175.628 174.600 0.057 0.000 1.119 765 S CA 0.420 58.656 58.200 0.061 0.000 0.976 765 S CB -2.018 61.210 63.200 0.046 0.000 0.922 765 S HN 0.430 nan 8.310 nan 0.000 0.503 766 L N -0.531 120.738 121.223 0.077 0.000 2.117 766 L HA 0.199 4.539 4.340 -0.000 0.000 0.200 766 L C 1.835 178.733 176.870 0.046 0.000 1.110 766 L CA 0.483 55.362 54.840 0.065 0.000 0.774 766 L CB -0.242 41.873 42.059 0.094 0.000 0.934 766 L HN 0.216 nan 8.230 nan 0.000 0.456 767 R N 0.000 120.530 120.500 0.050 0.000 2.786 767 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 767 R CA 0.000 56.118 56.100 0.030 0.000 0.921 767 R CB 0.000 30.323 30.300 0.039 0.000 0.687 767 R HN 0.000 nan 8.270 nan 0.000 0.535