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 2y0s_1_R DATA FIRST_RESID 8 DATA SEQUENCE LSIDERWKVI EAYFKSKGLV RQHLDSYNDF VRNKLQEIID EQGEIPTEIP DATA SEQUENCE GLKVRLGKIR IGKPRVRESD RGEREISPME ARLRNLTYAA PLWLTMIPVE DATA SEQUENCE NNIEAEPEEV YIGDLPIMLK SAIDPISQYT LDKLIEIGED PKDPGGYFIV DATA SEQUENCE NGSERVIVTQ EDLAPNRVLV DTGKTGSNIT HTAKIISSTX XXXXXVTIER DATA SEQUENCE LKDGTFHVSF PAVPGKIPFV ILMRALGILT DRDIVYAVSL DPEIQNELFP DATA SEQUENCE SLEQASSIAN VDDALDFIGS RVAIGQKREN RIEKAQQIID KYFLPHLGTS DATA SEQUENCE ADDRRKKAYY LAYAISKVIE LYLGRREPDD KDHYANKRLR LAGDLFASLF DATA SEQUENCE RVAFKAFVKD LTYQLEKSKV RGRKLALKAL VRPDIVTERI RHALATGNWV DATA SEQUENCE GGRTGVSQLL DRTNWLSMLS HLRRVISSLA RGQPNFEARD LHGTQWGRMC DATA SEQUENCE PFETPEGPNS GLVKNLALMA QIAVGINEKI VEKTLYEMGV VPVEEVIRRV DATA SEQUENCE XXXXXXXXXX XKWSKVILNG RLVGYYRDGE ELAKKIRERR RKGEISDEVN DATA SEQUENCE VGHIVTDFIN EVHVNCDSGR VRRPLIIVSN GNPLVTREDI EKLDSGSITF DATA SEQUENCE DDLVRQGKIE YLDAEEEENA YVALEPSDLT PEHTHLEIWS PAILGITASI DATA SEQUENCE IPYPEHNQSP RNTYQSAMAK QALGLYAANY QLRTDTRAHL LHYPQRPLVQ DATA SEQUENCE TRALDIIGYT NRPAGNNAIL AVISFTGYNM EDSIIMNRSS VERGMYRSTF DATA SEQUENCE FRLYSTEEVK YPGGQEDKIV MPEPGVRGYK GKEYYRLLED NGVVSPEVEV DATA SEQUENCE KGGDVLIGKV SPPXXXXXXX XXXXXXAKRD TSIVTRHGEM GIVDLVLITE DATA SEQUENCE TAEGNKLVKV RVRDLRIPSI GDKFASRHGQ KGVIGMLIPQ VDMPYTVKGV DATA SEQUENCE VPDVILNPHA LPSRMTLGQI MEGIAGKYAA LSGNIVDATP FYKTPIEQLQ DATA SEQUENCE NEILKYGYLP DATEVTYDGR TGQKIKSRIY FGVVYYQKLH HMVADKIHAR DATA SEQUENCE ARGPVQILTR QPTEGRAREG GLRFGEMERD CLIGFGTAML LKDRLLDNSD DATA SEQUENCE RTTIYVCDQC GYIGWYDKNK NKYVCPIHGD KSNLFPVTVS YAFKLLIQEL DATA SEQUENCE MSMIISPRLI LEDRV 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 8 L HA 0.000 nan 4.340 nan 0.000 0.249 8 L C 0.000 176.885 176.870 0.024 0.000 1.165 8 L CA 0.000 54.849 54.840 0.015 0.000 0.813 8 L CB 0.000 42.065 42.059 0.009 0.000 0.961 9 S N -1.646 114.063 115.700 0.015 0.000 3.656 9 S HA -0.031 4.438 4.470 -0.001 0.000 0.764 9 S C 0.245 174.868 174.600 0.038 0.000 1.134 9 S CA 0.513 58.721 58.200 0.013 0.000 1.138 9 S CB -0.888 62.328 63.200 0.027 0.000 0.596 9 S HN 1.031 nan 8.310 nan 0.000 0.459 10 I N 1.308 121.891 120.570 0.021 0.000 2.685 10 I HA 0.122 4.292 4.170 -0.001 0.000 0.251 10 I C 1.973 178.206 176.117 0.194 0.000 1.102 10 I CA 0.475 61.824 61.300 0.082 0.000 1.442 10 I CB -0.397 37.569 38.000 -0.057 0.000 1.194 10 I HN 0.684 nan 8.210 nan 0.000 0.448 11 D N 0.907 121.394 120.400 0.146 0.000 2.149 11 D HA -0.234 4.406 4.640 -0.001 0.000 0.198 11 D C 2.002 178.447 176.300 0.242 0.000 0.990 11 D CA 1.226 55.360 54.000 0.223 0.000 0.839 11 D CB 0.011 40.903 40.800 0.152 0.000 0.948 11 D HN 0.329 nan 8.370 nan 0.000 0.460 12 E N 0.123 120.413 120.200 0.150 0.000 2.072 12 E HA -0.147 4.202 4.350 -0.001 0.000 0.190 12 E C 2.045 178.712 176.600 0.111 0.000 0.982 12 E CA 0.545 57.006 56.400 0.103 0.000 0.803 12 E CB 0.132 29.872 29.700 0.067 0.000 0.755 12 E HN 0.269 nan 8.360 nan 0.000 0.453 13 R N 0.290 120.886 120.500 0.159 0.000 2.235 13 R HA -0.112 4.227 4.340 -0.001 0.000 0.213 13 R C 2.261 178.698 176.300 0.228 0.000 1.059 13 R CA 0.997 57.209 56.100 0.186 0.000 0.997 13 R CB -0.678 29.750 30.300 0.215 0.000 0.884 13 R HN 0.411 nan 8.270 nan 0.000 0.462 14 W N 2.346 123.663 121.300 0.028 0.000 2.494 14 W HA 0.019 4.679 4.660 -0.001 0.000 0.286 14 W C 0.835 177.278 176.519 -0.126 0.000 1.218 14 W CA 0.589 57.839 57.345 -0.157 0.000 1.313 14 W CB 0.094 29.484 29.460 -0.117 0.000 1.105 14 W HN 0.021 nan 8.180 nan 0.000 0.561 15 K N 0.486 120.742 120.400 -0.241 0.000 2.147 15 K HA -0.150 4.170 4.320 -0.001 0.000 0.205 15 K C 1.822 178.256 176.600 -0.278 0.000 1.049 15 K CA 1.536 57.619 56.287 -0.341 0.000 0.936 15 K CB -0.297 32.144 32.500 -0.099 0.000 0.722 15 K HN 0.025 nan 8.250 nan 0.000 0.446 16 V N 1.759 121.591 119.914 -0.137 0.000 2.295 16 V HA -0.242 3.877 4.120 -0.001 0.000 0.246 16 V C 2.142 178.233 176.094 -0.005 0.000 1.049 16 V CA 1.645 63.956 62.300 0.018 0.000 1.024 16 V CB -0.330 31.534 31.823 0.068 0.000 0.648 16 V HN 0.355 nan 8.190 nan 0.000 0.447 17 I N -0.202 120.204 120.570 -0.274 0.000 2.493 17 I HA -0.203 3.966 4.170 -0.001 0.000 0.254 17 I C 2.476 178.164 176.117 -0.716 0.000 1.160 17 I CA 1.531 62.510 61.300 -0.536 0.000 1.445 17 I CB -0.038 37.647 38.000 -0.527 0.000 1.086 17 I HN 0.426 nan 8.210 nan 0.000 0.433 18 E N 0.751 120.452 120.200 -0.832 0.000 2.268 18 E HA -0.179 4.171 4.350 -0.001 0.000 0.195 18 E C 2.032 178.449 176.600 -0.306 0.000 0.995 18 E CA 0.924 56.936 56.400 -0.647 0.000 0.836 18 E CB 0.042 29.191 29.700 -0.919 0.000 0.763 18 E HN 0.627 nan 8.360 nan 0.000 0.491 19 A N -0.064 122.612 122.820 -0.240 0.000 2.067 19 A HA -0.125 4.194 4.320 -0.001 0.000 0.217 19 A C 1.807 179.252 177.584 -0.232 0.000 1.156 19 A CA 0.583 52.571 52.037 -0.083 0.000 0.683 19 A CB -0.504 18.564 19.000 0.115 0.000 0.808 19 A HN 0.503 nan 8.150 nan 0.000 0.455 20 Y N -0.677 119.109 120.300 -0.857 0.000 2.242 20 Y HA -0.122 4.428 4.550 -0.001 0.000 0.291 20 Y C 1.583 177.030 175.900 -0.755 0.000 1.137 20 Y CA 1.597 58.846 58.100 -1.418 0.000 1.181 20 Y CB -0.211 37.095 38.460 -1.923 0.000 0.989 20 Y HN 0.278 nan 8.280 nan 0.000 0.527 21 F N 0.339 120.181 119.950 -0.181 0.000 2.335 21 F HA 0.079 4.605 4.527 -0.001 0.000 0.296 21 F C 2.349 178.063 175.800 -0.145 0.000 1.091 21 F CA 0.986 58.917 58.000 -0.115 0.000 1.399 21 F CB -0.631 38.311 39.000 -0.096 0.000 1.067 21 F HN -0.079 nan 8.300 nan 0.000 0.520 22 K N -0.428 119.973 120.400 0.001 0.000 2.280 22 K HA -0.104 4.216 4.320 -0.001 0.000 0.202 22 K C 1.973 178.542 176.600 -0.051 0.000 1.047 22 K CA 1.040 57.316 56.287 -0.018 0.000 0.942 22 K CB 0.008 32.489 32.500 -0.031 0.000 0.739 22 K HN 0.231 nan 8.250 nan 0.000 0.457 23 S N -0.359 115.263 115.700 -0.130 0.000 2.790 23 S HA 0.116 4.586 4.470 -0.001 0.000 0.162 23 S C 0.952 175.446 174.600 -0.178 0.000 0.792 23 S CA -0.249 57.860 58.200 -0.152 0.000 1.089 23 S CB 0.096 63.183 63.200 -0.187 0.000 0.666 23 S HN 0.074 nan 8.310 nan 0.000 0.521 24 K N 0.567 120.774 120.400 -0.322 0.000 2.916 24 K HA 0.287 4.606 4.320 -0.001 0.000 0.183 24 K C 1.628 178.137 176.600 -0.152 0.000 1.138 24 K CA 0.867 57.001 56.287 -0.256 0.000 1.346 24 K CB -1.431 30.864 32.500 -0.342 0.000 1.866 24 K HN 0.687 nan 8.250 nan 0.000 0.503 25 G N 1.192 109.924 108.800 -0.113 0.000 2.651 25 G HA2 -0.392 3.567 3.960 -0.001 0.000 0.315 25 G HA3 -0.392 3.567 3.960 -0.001 0.000 0.315 25 G C 0.811 175.781 174.900 0.115 0.000 1.258 25 G CA 1.242 46.423 45.100 0.135 0.000 1.002 25 G HN 0.547 nan 8.290 nan 0.000 0.551 26 L N -2.651 118.670 121.223 0.163 0.000 3.833 26 L HA -0.363 3.976 4.340 -0.001 0.000 0.053 26 L C 1.957 178.842 176.870 0.026 0.000 4.081 26 L CA 4.858 59.731 54.840 0.056 0.000 0.971 26 L CB -1.463 40.617 42.059 0.036 0.000 3.354 26 L HN 1.688 nan 8.230 nan 0.000 0.800 27 V N -1.751 118.171 119.914 0.014 0.000 3.283 27 V HA 0.143 4.262 4.120 -0.001 0.000 0.265 27 V C 1.142 177.236 176.094 -0.000 0.000 1.672 27 V CA 0.458 62.758 62.300 -0.000 0.000 1.020 27 V CB 0.088 31.900 31.823 -0.018 0.000 0.854 27 V HN 0.644 nan 8.190 nan 0.000 0.408 28 R N 1.454 121.953 120.500 -0.003 0.000 4.806 28 R HA 0.081 4.420 4.340 -0.001 0.000 0.194 28 R C 1.089 177.372 176.300 -0.030 0.000 2.211 28 R CA 0.235 56.329 56.100 -0.009 0.000 1.801 28 R CB -0.340 29.954 30.300 -0.009 0.000 1.251 28 R HN 0.379 nan 8.270 nan 0.000 0.747 29 Q N 0.290 120.049 119.800 -0.069 0.000 2.172 29 Q HA -0.112 4.228 4.340 -0.001 0.000 0.200 29 Q C 1.137 177.003 176.000 -0.224 0.000 0.964 29 Q CA 1.321 57.027 55.803 -0.161 0.000 0.855 29 Q CB -0.011 28.579 28.738 -0.246 0.000 0.918 29 Q HN 0.698 nan 8.270 nan 0.000 0.444 30 H N -0.116 118.947 119.070 -0.011 0.000 2.451 30 H HA 0.167 4.722 4.556 -0.001 0.000 0.294 30 H C 2.265 177.581 175.328 -0.019 0.000 1.028 30 H CA 0.171 56.205 56.048 -0.023 0.000 1.349 30 H CB 0.243 29.960 29.762 -0.074 0.000 1.444 30 H HN 0.095 nan 8.280 nan 0.000 0.538 31 L N 0.843 122.106 121.223 0.067 0.000 1.990 31 L HA -0.217 4.122 4.340 -0.001 0.000 0.213 31 L C 1.994 178.921 176.870 0.095 0.000 1.072 31 L CA 1.577 56.446 54.840 0.049 0.000 0.755 31 L CB -0.352 41.710 42.059 0.005 0.000 0.889 31 L HN 0.196 nan 8.230 nan 0.000 0.432 32 D N -0.944 119.487 120.400 0.052 0.000 2.144 32 D HA -0.171 4.468 4.640 -0.001 0.000 0.199 32 D C 2.320 178.663 176.300 0.072 0.000 0.984 32 D CA 1.417 55.442 54.000 0.041 0.000 0.834 32 D CB 0.028 40.830 40.800 0.003 0.000 0.955 32 D HN 0.144 nan 8.370 nan 0.000 0.465 33 S N -0.906 114.853 115.700 0.099 0.000 2.406 33 S HA -0.171 4.299 4.470 -0.001 0.000 0.228 33 S C 1.864 176.588 174.600 0.207 0.000 1.020 33 S CA 0.450 58.730 58.200 0.133 0.000 0.965 33 S CB -0.175 63.108 63.200 0.139 0.000 0.798 33 S HN 0.322 nan 8.310 nan 0.000 0.488 34 Y N 2.153 122.507 120.300 0.089 0.000 2.365 34 Y HA 0.154 4.704 4.550 -0.001 0.000 0.293 34 Y C 1.925 177.920 175.900 0.159 0.000 1.119 34 Y CA 1.281 59.454 58.100 0.122 0.000 1.203 34 Y CB -0.339 38.124 38.460 0.005 0.000 1.026 34 Y HN 0.265 nan 8.280 nan 0.000 0.549 35 N N 0.460 119.219 118.700 0.097 0.000 2.270 35 N HA -0.189 4.551 4.740 -0.001 0.000 0.181 35 N C 1.638 177.124 175.510 -0.040 0.000 1.016 35 N CA 1.494 54.538 53.050 -0.010 0.000 0.870 35 N CB -0.559 37.948 38.487 0.033 0.000 0.979 35 N HN 0.568 nan 8.380 nan 0.000 0.431 36 D N -0.034 120.375 120.400 0.016 0.000 2.178 36 D HA -0.150 4.489 4.640 -0.001 0.000 0.202 36 D C 1.766 178.066 176.300 0.001 0.000 0.974 36 D CA 0.462 54.465 54.000 0.006 0.000 0.841 36 D CB 0.025 40.847 40.800 0.037 0.000 0.953 36 D HN 0.194 nan 8.370 nan 0.000 0.478 37 F N 1.190 121.074 119.950 -0.109 0.000 2.113 37 F HA -0.118 4.408 4.527 -0.001 0.000 0.297 37 F C 2.100 177.765 175.800 -0.226 0.000 1.103 37 F CA 1.037 58.959 58.000 -0.129 0.000 1.248 37 F CB -0.640 38.322 39.000 -0.064 0.000 0.999 37 F HN -0.164 nan 8.300 nan 0.000 0.475 38 V N 1.105 120.756 119.914 -0.438 0.000 2.759 38 V HA -0.161 3.958 4.120 -0.001 0.000 0.256 38 V C 2.088 177.930 176.094 -0.420 0.000 1.080 38 V CA 1.882 63.833 62.300 -0.582 0.000 1.101 38 V CB -0.496 31.039 31.823 -0.480 0.000 0.698 38 V HN 0.422 nan 8.190 nan 0.000 0.477 39 R N -0.904 119.419 120.500 -0.295 0.000 2.076 39 R HA 0.163 4.502 4.340 -0.001 0.000 0.203 39 R C 2.060 178.240 176.300 -0.198 0.000 1.229 39 R CA 0.894 56.870 56.100 -0.207 0.000 1.094 39 R CB -0.539 29.683 30.300 -0.131 0.000 0.991 39 R HN 0.361 nan 8.270 nan 0.000 0.471 40 N N 1.134 119.737 118.700 -0.161 0.000 2.135 40 N HA -0.060 4.679 4.740 -0.001 0.000 0.186 40 N C 0.930 176.344 175.510 -0.159 0.000 1.027 40 N CA 1.115 54.090 53.050 -0.125 0.000 0.849 40 N CB -0.051 38.394 38.487 -0.070 0.000 1.002 40 N HN -0.030 nan 8.380 nan 0.000 0.425 41 K N -0.178 120.095 120.400 -0.211 0.000 2.863 41 K HA 0.215 4.535 4.320 -0.001 0.000 0.304 41 K C 0.907 177.224 176.600 -0.472 0.000 1.015 41 K CA -0.327 55.812 56.287 -0.246 0.000 1.093 41 K CB -0.030 32.406 32.500 -0.108 0.000 1.345 41 K HN -0.066 nan 8.250 nan 0.000 0.500 42 L N -0.619 120.257 121.223 -0.577 0.000 3.461 42 L HA -0.471 3.869 4.340 -0.001 0.000 0.094 42 L C 1.825 178.476 176.870 -0.364 0.000 4.424 42 L CA 2.808 57.227 54.840 -0.701 0.000 0.523 42 L CB -1.609 39.797 42.059 -1.088 0.000 3.542 42 L HN 0.830 nan 8.230 nan 0.000 0.792 43 Q N 0.021 119.632 119.800 -0.316 0.000 2.096 43 Q HA -0.212 4.128 4.340 -0.001 0.000 0.204 43 Q C 1.867 177.783 176.000 -0.140 0.000 0.982 43 Q CA 2.588 58.273 55.803 -0.196 0.000 0.850 43 Q CB -0.274 28.366 28.738 -0.163 0.000 0.901 43 Q HN 0.735 nan 8.270 nan 0.000 0.422 44 E N -0.381 119.739 120.200 -0.133 0.000 2.110 44 E HA -0.159 4.191 4.350 -0.001 0.000 0.193 44 E C 1.937 178.513 176.600 -0.041 0.000 0.988 44 E CA 1.396 57.752 56.400 -0.072 0.000 0.804 44 E CB -0.179 29.486 29.700 -0.058 0.000 0.745 44 E HN 0.511 nan 8.360 nan 0.000 0.458 45 I N 1.003 121.546 120.570 -0.044 0.000 2.439 45 I HA -0.163 4.007 4.170 -0.001 0.000 0.251 45 I C 1.171 177.270 176.117 -0.030 0.000 1.139 45 I CA 0.379 61.694 61.300 0.025 0.000 1.438 45 I CB 0.000 38.084 38.000 0.139 0.000 1.085 45 I HN 0.065 nan 8.210 nan 0.000 0.427 46 I N 2.243 122.728 120.570 -0.141 0.000 2.882 46 I HA -0.005 4.164 4.170 -0.001 0.000 0.276 46 I C -0.354 175.736 176.117 -0.045 0.000 1.096 46 I CA 0.903 62.068 61.300 -0.225 0.000 1.872 46 I CB -1.564 36.259 38.000 -0.295 0.000 1.383 46 I HN 0.156 nan 8.210 nan 0.000 0.758 47 D N 1.749 122.163 120.400 0.023 0.000 2.552 47 D HA 0.146 4.785 4.640 -0.001 0.000 0.285 47 D C 1.105 177.452 176.300 0.079 0.000 1.206 47 D CA 0.091 54.118 54.000 0.044 0.000 0.826 47 D CB 0.812 41.623 40.800 0.019 0.000 1.179 47 D HN 0.532 nan 8.370 nan 0.000 0.508 48 E N -0.286 119.987 120.200 0.123 0.000 2.571 48 E HA 0.071 4.421 4.350 -0.001 0.000 0.222 48 E C 0.844 177.505 176.600 0.102 0.000 0.904 48 E CA -0.046 56.422 56.400 0.113 0.000 1.157 48 E CB 0.605 30.390 29.700 0.143 0.000 1.158 48 E HN -0.065 nan 8.360 nan 0.000 0.540 49 Q N 0.319 120.188 119.800 0.115 0.000 1.863 49 Q HA -0.274 4.066 4.340 -0.001 0.000 0.194 49 Q C 0.955 177.005 176.000 0.085 0.000 2.887 49 Q CA 2.223 58.080 55.803 0.090 0.000 0.316 49 Q CB -2.004 26.769 28.738 0.059 0.000 0.508 49 Q HN 0.518 nan 8.270 nan 0.000 0.415 50 G N -0.706 108.131 108.800 0.062 0.000 2.621 50 G HA2 0.294 4.254 3.960 -0.001 0.000 0.271 50 G HA3 0.294 4.254 3.960 -0.001 0.000 0.271 50 G C 0.241 175.167 174.900 0.043 0.000 1.236 50 G CA 0.139 45.267 45.100 0.048 0.000 0.958 50 G HN 0.307 nan 8.290 nan 0.000 0.512 51 E N -0.883 119.333 120.200 0.027 0.000 2.508 51 E HA 0.080 4.430 4.350 -0.001 0.000 0.217 51 E C 1.205 177.805 176.600 0.000 0.000 0.896 51 E CA -0.176 56.229 56.400 0.009 0.000 1.118 51 E CB 0.449 30.150 29.700 0.002 0.000 1.133 51 E HN 0.579 nan 8.360 nan 0.000 0.526 52 I N 1.861 122.435 120.570 0.006 0.000 6.532 52 I HA -0.228 3.942 4.170 -0.001 0.000 0.126 52 I C -2.121 173.996 176.117 0.000 0.000 1.811 52 I CA -0.172 61.131 61.300 0.005 0.000 2.115 52 I CB -1.684 36.320 38.000 0.007 0.000 3.474 52 I HN 0.022 nan 8.210 nan 0.000 0.192 53 P HA 0.225 nan 4.420 nan 0.000 0.274 53 P C 1.168 178.466 177.300 -0.003 0.000 1.237 53 P CA -0.181 62.915 63.100 -0.007 0.000 0.793 53 P CB 0.644 32.334 31.700 -0.016 0.000 0.977 54 T N -1.297 113.256 114.554 -0.002 0.000 2.737 54 T HA -0.082 4.267 4.350 -0.001 0.000 0.265 54 T C 0.500 175.198 174.700 -0.003 0.000 1.038 54 T CA 0.869 62.969 62.100 0.000 0.000 1.144 54 T CB -0.519 68.351 68.868 0.003 0.000 0.866 54 T HN 0.470 nan 8.240 nan 0.000 0.434 55 E N 1.631 121.826 120.200 -0.008 0.000 2.463 55 E HA 0.109 4.459 4.350 -0.001 0.000 0.248 55 E C -0.355 176.240 176.600 -0.008 0.000 1.106 55 E CA 0.073 56.467 56.400 -0.010 0.000 0.946 55 E CB -0.442 29.247 29.700 -0.018 0.000 0.971 55 E HN 0.400 nan 8.360 nan 0.000 0.478 56 I N 3.930 124.497 120.570 -0.005 0.000 8.033 56 I HA -0.247 3.922 4.170 -0.001 0.000 0.126 56 I C -1.805 174.311 176.117 -0.001 0.000 1.834 56 I CA -0.519 60.779 61.300 -0.003 0.000 2.071 56 I CB -0.343 37.655 38.000 -0.004 0.000 3.728 56 I HN 0.494 nan 8.210 nan 0.000 0.180 57 P HA -0.177 nan 4.420 nan 0.000 0.221 57 P C 1.327 178.630 177.300 0.004 0.000 1.141 57 P CA 1.827 64.928 63.100 0.003 0.000 0.794 57 P CB 0.156 31.858 31.700 0.004 0.000 0.764 58 G N -0.783 108.019 108.800 0.003 0.000 3.591 58 G HA2 0.159 4.118 3.960 -0.001 0.000 0.282 58 G HA3 0.159 4.118 3.960 -0.001 0.000 0.282 58 G C -0.032 174.870 174.900 0.004 0.000 1.238 58 G CA -0.033 45.069 45.100 0.004 0.000 0.993 58 G HN 0.224 nan 8.290 nan 0.000 0.542 59 L N 0.631 121.856 121.223 0.003 0.000 2.435 59 L HA 0.576 4.916 4.340 -0.001 0.000 0.253 59 L C -0.631 176.240 176.870 0.003 0.000 1.087 59 L CA -0.084 54.756 54.840 0.001 0.000 0.950 59 L CB 0.249 42.305 42.059 -0.004 0.000 1.304 59 L HN 0.012 nan 8.230 nan 0.000 0.453 60 K N 1.952 122.357 120.400 0.009 0.000 2.312 60 K HA 0.793 5.112 4.320 -0.001 0.000 0.236 60 K C -1.222 175.390 176.600 0.021 0.000 1.079 60 K CA -0.893 55.402 56.287 0.014 0.000 0.900 60 K CB 2.525 35.035 32.500 0.018 0.000 1.297 60 K HN 0.196 nan 8.250 nan 0.000 0.498 61 V N 1.499 121.432 119.914 0.032 0.000 2.623 61 V HA 0.364 4.484 4.120 -0.001 0.000 0.304 61 V C -0.769 175.361 176.094 0.060 0.000 1.054 61 V CA -0.909 61.419 62.300 0.046 0.000 0.882 61 V CB 1.637 33.494 31.823 0.056 0.000 1.002 61 V HN 0.582 nan 8.190 nan 0.000 0.424 62 R N 3.965 124.498 120.500 0.056 0.000 2.297 62 R HA 0.634 4.974 4.340 -0.001 0.000 0.308 62 R C -1.082 175.262 176.300 0.074 0.000 1.029 62 R CA -0.536 55.599 56.100 0.058 0.000 0.929 62 R CB 1.288 31.613 30.300 0.042 0.000 1.046 62 R HN 0.567 nan 8.270 nan 0.000 0.461 63 L N 2.305 123.580 121.223 0.086 0.000 2.275 63 L HA 0.373 4.713 4.340 -0.001 0.000 0.288 63 L C 1.198 178.101 176.870 0.055 0.000 1.046 63 L CA -0.496 54.400 54.840 0.094 0.000 0.805 63 L CB 1.541 43.682 42.059 0.136 0.000 1.193 63 L HN 0.755 nan 8.230 nan 0.000 0.426 64 G N 3.120 111.947 108.800 0.045 0.000 3.229 64 G HA2 0.300 4.260 3.960 -0.001 0.000 0.165 64 G HA3 0.300 4.260 3.960 -0.001 0.000 0.165 64 G C -0.241 174.662 174.900 0.004 0.000 1.753 64 G CA -0.392 44.721 45.100 0.023 0.000 1.054 64 G HN 0.507 nan 8.290 nan 0.000 0.544 65 K N -0.781 119.617 120.400 -0.003 0.000 2.221 65 K HA 0.577 4.897 4.320 -0.001 0.000 0.243 65 K C -1.297 175.292 176.600 -0.019 0.000 0.968 65 K CA -0.587 55.686 56.287 -0.024 0.000 0.846 65 K CB 2.290 34.772 32.500 -0.030 0.000 1.141 65 K HN 0.167 nan 8.250 nan 0.000 0.434 66 I N 1.712 122.255 120.570 -0.044 0.000 2.498 66 I HA 0.358 4.527 4.170 -0.001 0.000 0.301 66 I C -0.235 175.869 176.117 -0.023 0.000 0.984 66 I CA -0.521 60.761 61.300 -0.030 0.000 1.204 66 I CB 1.378 39.331 38.000 -0.078 0.000 1.362 66 I HN 0.518 nan 8.210 nan 0.000 0.471 67 R N 4.837 125.360 120.500 0.038 0.000 2.575 67 R HA 0.761 5.101 4.340 -0.001 0.000 0.293 67 R C -1.625 174.736 176.300 0.102 0.000 0.983 67 R CA -0.721 55.409 56.100 0.051 0.000 0.887 67 R CB 1.317 31.654 30.300 0.062 0.000 1.184 67 R HN 0.373 nan 8.270 nan 0.000 0.445 68 I N 3.119 123.715 120.570 0.043 0.000 2.304 68 I HA 0.296 4.466 4.170 -0.001 0.000 0.291 68 I C 0.986 177.157 176.117 0.089 0.000 1.018 68 I CA 0.166 61.490 61.300 0.040 0.000 1.260 68 I CB 1.732 39.723 38.000 -0.015 0.000 1.390 68 I HN 0.926 nan 8.210 nan 0.000 0.475 69 G N 5.911 114.805 108.800 0.157 0.000 2.481 69 G HA2 0.248 4.208 3.960 -0.001 0.000 0.251 69 G HA3 0.248 4.208 3.960 -0.001 0.000 0.251 69 G C -0.091 174.860 174.900 0.085 0.000 1.492 69 G CA -0.474 44.724 45.100 0.162 0.000 1.060 69 G HN 0.493 nan 8.290 nan 0.000 0.553 70 K N 0.799 121.245 120.400 0.077 0.000 2.139 70 K HA 0.327 4.646 4.320 -0.001 0.000 0.243 70 K C -2.346 174.250 176.600 -0.007 0.000 0.983 70 K CA -1.673 54.637 56.287 0.039 0.000 0.890 70 K CB 1.751 34.280 32.500 0.048 0.000 1.090 70 K HN 0.183 nan 8.250 nan 0.000 0.445 71 P HA -0.013 nan 4.420 nan 0.000 0.263 71 P C -1.074 176.137 177.300 -0.148 0.000 1.345 71 P CA 0.426 63.392 63.100 -0.222 0.000 1.119 71 P CB 0.042 31.390 31.700 -0.587 0.000 1.363 72 R N 2.087 122.550 120.500 -0.061 0.000 2.310 72 R HA 0.441 4.780 4.340 -0.001 0.000 0.324 72 R C -0.483 175.820 176.300 0.005 0.000 0.955 72 R CA -0.977 55.120 56.100 -0.005 0.000 0.830 72 R CB 2.091 32.426 30.300 0.059 0.000 1.154 72 R HN 0.217 nan 8.270 nan 0.000 0.458 73 V N 5.032 124.949 119.914 0.004 0.000 2.383 73 V HA 0.299 4.418 4.120 -0.001 0.000 0.275 73 V C 0.441 176.558 176.094 0.038 0.000 1.036 73 V CA -0.491 61.822 62.300 0.021 0.000 0.889 73 V CB 0.863 32.697 31.823 0.019 0.000 0.985 73 V HN 0.721 nan 8.190 nan 0.000 0.459 74 R N 4.128 124.655 120.500 0.045 0.000 3.073 74 R HA 0.307 4.647 4.340 -0.001 0.000 0.290 74 R C -0.243 176.079 176.300 0.037 0.000 1.130 74 R CA 0.185 56.310 56.100 0.042 0.000 1.186 74 R CB 0.301 30.620 30.300 0.031 0.000 1.166 74 R HN 0.855 nan 8.270 nan 0.000 0.563 75 E N -0.192 120.028 120.200 0.033 0.000 2.656 75 E HA 0.060 4.409 4.350 -0.001 0.000 0.395 75 E C -1.608 175.010 176.600 0.029 0.000 1.028 75 E CA -0.072 56.347 56.400 0.033 0.000 0.728 75 E CB 0.698 30.418 29.700 0.034 0.000 1.577 75 E HN 0.488 nan 8.360 nan 0.000 0.384 76 S N 2.358 118.076 115.700 0.029 0.000 2.563 76 S HA -0.036 4.434 4.470 -0.001 0.000 0.294 76 S C -0.078 174.538 174.600 0.026 0.000 1.279 76 S CA 0.174 58.390 58.200 0.026 0.000 1.069 76 S CB 0.437 63.654 63.200 0.028 0.000 0.828 76 S HN 0.444 nan 8.310 nan 0.000 0.497 77 D N 1.644 122.058 120.400 0.023 0.000 2.264 77 D HA 0.141 4.780 4.640 -0.001 0.000 0.250 77 D C 0.499 176.811 176.300 0.020 0.000 1.113 77 D CA -0.310 53.702 54.000 0.020 0.000 0.871 77 D CB 0.424 41.235 40.800 0.018 0.000 1.167 77 D HN 0.486 nan 8.370 nan 0.000 0.447 78 R N 1.377 121.887 120.500 0.017 0.000 3.569 78 R HA -0.197 4.142 4.340 -0.001 0.000 0.260 78 R C 0.530 176.844 176.300 0.024 0.000 1.078 78 R CA 0.814 56.924 56.100 0.017 0.000 0.716 78 R CB -1.469 28.840 30.300 0.015 0.000 1.088 78 R HN 0.440 nan 8.270 nan 0.000 0.473 79 G N 0.454 109.270 108.800 0.026 0.000 2.509 79 G HA2 0.567 4.526 3.960 -0.001 0.000 0.328 79 G HA3 0.567 4.526 3.960 -0.001 0.000 0.328 79 G C -0.782 174.141 174.900 0.038 0.000 1.194 79 G CA -0.532 44.587 45.100 0.032 0.000 0.967 79 G HN 0.213 nan 8.290 nan 0.000 0.488 80 E N -0.261 119.965 120.200 0.043 0.000 2.388 80 E HA 0.622 4.971 4.350 -0.001 0.000 0.289 80 E C -1.035 175.593 176.600 0.046 0.000 0.944 80 E CA -0.935 55.494 56.400 0.050 0.000 0.792 80 E CB 1.750 31.491 29.700 0.069 0.000 1.239 80 E HN 0.307 nan 8.360 nan 0.000 0.412 81 R N 1.533 122.058 120.500 0.040 0.000 2.808 81 R HA 0.471 4.811 4.340 -0.001 0.000 0.272 81 R C -0.671 175.647 176.300 0.030 0.000 0.995 81 R CA -0.914 55.208 56.100 0.037 0.000 0.917 81 R CB 1.590 31.911 30.300 0.035 0.000 1.217 81 R HN 0.751 nan 8.270 nan 0.000 0.471 82 E N 2.066 122.285 120.200 0.031 0.000 2.343 82 E HA 0.383 4.732 4.350 -0.001 0.000 0.269 82 E C 0.034 176.651 176.600 0.028 0.000 1.047 82 E CA -0.387 56.025 56.400 0.019 0.000 0.874 82 E CB 1.305 31.026 29.700 0.035 0.000 1.033 82 E HN 0.397 nan 8.360 nan 0.000 0.409 83 I N -1.152 119.426 120.570 0.013 0.000 2.498 83 I HA 0.445 4.615 4.170 -0.001 0.000 0.290 83 I C -0.255 175.954 176.117 0.154 0.000 1.032 83 I CA -0.786 60.552 61.300 0.063 0.000 1.073 83 I CB 2.066 40.104 38.000 0.062 0.000 1.251 83 I HN 0.283 nan 8.210 nan 0.000 0.426 84 S N 5.604 121.387 115.700 0.138 0.000 2.576 84 S HA 0.326 4.796 4.470 -0.001 0.000 0.276 84 S C -1.468 173.235 174.600 0.172 0.000 1.339 84 S CA -0.948 57.331 58.200 0.133 0.000 1.039 84 S CB 0.920 64.144 63.200 0.038 0.000 0.902 84 S HN 0.620 nan 8.310 nan 0.000 0.516 85 P HA -0.142 nan 4.420 nan 0.000 0.217 85 P C 1.613 178.901 177.300 -0.020 0.000 1.148 85 P CA 1.210 64.238 63.100 -0.121 0.000 0.828 85 P CB 0.062 31.567 31.700 -0.325 0.000 0.783 86 M N -0.693 118.897 119.600 -0.016 0.000 2.117 86 M HA -0.167 4.312 4.480 -0.001 0.000 0.262 86 M C 1.799 178.114 176.300 0.025 0.000 1.065 86 M CA 1.871 57.168 55.300 -0.006 0.000 1.114 86 M CB -1.485 31.101 32.600 -0.023 0.000 1.361 86 M HN 0.075 nan 8.290 nan 0.000 0.408 87 E N -0.265 119.963 120.200 0.048 0.000 2.268 87 E HA -0.061 4.289 4.350 -0.001 0.000 0.195 87 E C 1.960 178.610 176.600 0.083 0.000 0.995 87 E CA 0.989 57.425 56.400 0.059 0.000 0.836 87 E CB -0.122 29.615 29.700 0.062 0.000 0.763 87 E HN 0.496 nan 8.360 nan 0.000 0.491 88 A N 1.316 124.211 122.820 0.125 0.000 1.929 88 A HA -0.092 4.227 4.320 -0.001 0.000 0.216 88 A C 2.038 179.683 177.584 0.103 0.000 1.176 88 A CA 0.873 53.003 52.037 0.155 0.000 0.628 88 A CB -0.121 19.050 19.000 0.285 0.000 0.816 88 A HN 0.035 nan 8.150 nan 0.000 0.444 89 R N -0.565 119.978 120.500 0.072 0.000 2.119 89 R HA 0.110 4.450 4.340 -0.001 0.000 0.222 89 R C 1.825 178.149 176.300 0.040 0.000 1.088 89 R CA 1.073 57.204 56.100 0.051 0.000 0.984 89 R CB -0.267 30.053 30.300 0.032 0.000 0.884 89 R HN 0.482 nan 8.270 nan 0.000 0.447 90 L N -0.313 120.931 121.223 0.035 0.000 2.202 90 L HA 0.032 4.372 4.340 -0.001 0.000 0.205 90 L C 2.128 179.019 176.870 0.035 0.000 1.083 90 L CA 0.752 55.608 54.840 0.026 0.000 0.790 90 L CB -0.284 41.785 42.059 0.017 0.000 0.942 90 L HN 0.064 nan 8.230 nan 0.000 0.452 91 R N 0.518 121.044 120.500 0.044 0.000 2.323 91 R HA 0.005 4.344 4.340 -0.001 0.000 0.198 91 R C -0.044 176.288 176.300 0.053 0.000 0.988 91 R CA 0.013 56.141 56.100 0.047 0.000 1.041 91 R CB -0.126 30.204 30.300 0.050 0.000 0.926 91 R HN 0.328 nan 8.270 nan 0.000 0.476 92 N N 0.284 119.018 118.700 0.057 0.000 2.754 92 N HA -0.164 4.575 4.740 -0.001 0.000 0.248 92 N C -1.188 174.368 175.510 0.077 0.000 1.093 92 N CA 0.714 53.802 53.050 0.064 0.000 0.699 92 N CB -1.029 37.491 38.487 0.055 0.000 1.016 92 N HN 0.029 nan 8.380 nan 0.000 0.552 93 L N -0.041 121.234 121.223 0.086 0.000 2.375 93 L HA 0.461 4.800 4.340 -0.001 0.000 0.268 93 L C 0.945 177.886 176.870 0.118 0.000 1.058 93 L CA -0.168 54.728 54.840 0.094 0.000 0.803 93 L CB 0.975 43.085 42.059 0.084 0.000 1.212 93 L HN 0.018 nan 8.230 nan 0.000 0.451 94 T N 0.907 115.530 114.554 0.114 0.000 2.780 94 T HA 0.153 4.503 4.350 -0.001 0.000 0.294 94 T C -0.472 174.320 174.700 0.153 0.000 0.949 94 T CA 0.037 62.219 62.100 0.137 0.000 1.074 94 T CB -0.115 68.819 68.868 0.109 0.000 0.910 94 T HN 0.259 nan 8.240 nan 0.000 0.501 95 Y N 3.604 123.940 120.300 0.060 0.000 2.620 95 Y HA 0.425 4.975 4.550 -0.001 0.000 0.352 95 Y C 0.168 176.107 175.900 0.065 0.000 1.140 95 Y CA -0.459 57.671 58.100 0.051 0.000 1.529 95 Y CB -0.557 37.922 38.460 0.033 0.000 1.321 95 Y HN 0.788 nan 8.280 nan 0.000 0.501 96 A N 3.997 126.774 122.820 -0.072 0.000 2.515 96 A HA 0.926 5.245 4.320 -0.001 0.000 0.298 96 A C -1.427 176.100 177.584 -0.096 0.000 1.059 96 A CA -0.337 51.686 52.037 -0.023 0.000 0.698 96 A CB 1.016 20.035 19.000 0.032 0.000 1.289 96 A HN 0.815 nan 8.150 nan 0.000 0.404 97 A N 1.940 124.727 122.820 -0.054 0.000 2.356 97 A HA 0.953 5.272 4.320 -0.001 0.000 0.323 97 A C -2.940 174.579 177.584 -0.109 0.000 1.119 97 A CA -2.004 49.993 52.037 -0.066 0.000 0.790 97 A CB 1.082 20.062 19.000 -0.034 0.000 1.273 97 A HN 0.555 nan 8.150 nan 0.000 0.452 98 P HA 0.265 nan 4.420 nan 0.000 0.276 98 P C -0.969 175.982 177.300 -0.581 0.000 1.230 98 P CA 0.142 62.941 63.100 -0.501 0.000 0.776 98 P CB 0.624 31.976 31.700 -0.580 0.000 0.888 99 L N 4.077 124.885 121.223 -0.692 0.000 2.259 99 L HA 0.299 4.639 4.340 -0.001 0.000 0.288 99 L C -0.061 176.470 176.870 -0.564 0.000 1.051 99 L CA -0.480 54.088 54.840 -0.452 0.000 0.824 99 L CB 0.078 41.978 42.059 -0.265 0.000 1.206 99 L HN 0.341 nan 8.230 nan 0.000 0.429 100 W N 5.553 126.760 121.300 -0.155 0.000 2.331 100 W HA 0.439 5.098 4.660 -0.001 0.000 0.306 100 W C -0.263 176.216 176.519 -0.068 0.000 1.162 100 W CA -0.498 56.789 57.345 -0.096 0.000 1.232 100 W CB 1.048 30.478 29.460 -0.049 0.000 1.235 100 W HN 0.214 nan 8.180 nan 0.000 0.479 101 L N 4.575 125.918 121.223 0.201 0.000 2.349 101 L HA 0.525 4.865 4.340 -0.001 0.000 0.278 101 L C -0.465 176.495 176.870 0.150 0.000 0.996 101 L CA -0.231 54.677 54.840 0.113 0.000 0.825 101 L CB 1.538 43.625 42.059 0.046 0.000 1.243 101 L HN 0.282 nan 8.230 nan 0.000 0.412 102 T N 6.792 121.410 114.554 0.108 0.000 2.780 102 T HA 0.489 4.839 4.350 -0.001 0.000 0.294 102 T C 0.241 174.995 174.700 0.090 0.000 0.949 102 T CA -0.033 62.122 62.100 0.092 0.000 1.074 102 T CB 0.661 69.561 68.868 0.053 0.000 0.910 102 T HN 0.549 nan 8.240 nan 0.000 0.501 103 M N 3.541 123.199 119.600 0.097 0.000 2.598 103 M HA 0.561 5.040 4.480 -0.001 0.000 0.317 103 M C -0.801 175.540 176.300 0.068 0.000 1.179 103 M CA -0.989 54.368 55.300 0.094 0.000 0.936 103 M CB 2.059 34.731 32.600 0.120 0.000 1.713 103 M HN 0.311 nan 8.290 nan 0.000 0.460 104 I N 2.599 123.204 120.570 0.058 0.000 2.537 104 I HA 0.347 4.517 4.170 -0.001 0.000 0.276 104 I C -2.523 173.617 176.117 0.039 0.000 1.063 104 I CA -2.205 59.120 61.300 0.042 0.000 1.144 104 I CB 0.479 38.499 38.000 0.034 0.000 1.252 104 I HN 0.226 nan 8.210 nan 0.000 0.480 105 P HA 0.102 nan 4.420 nan 0.000 0.265 105 P C -0.153 177.160 177.300 0.022 0.000 1.222 105 P CA 0.138 63.255 63.100 0.030 0.000 0.767 105 P CB 0.708 32.423 31.700 0.026 0.000 0.801 106 V N 4.552 124.479 119.914 0.020 0.000 2.394 106 V HA 0.207 4.326 4.120 -0.001 0.000 0.282 106 V C 0.973 177.073 176.094 0.011 0.000 1.031 106 V CA -0.026 62.283 62.300 0.015 0.000 0.881 106 V CB 1.214 33.047 31.823 0.017 0.000 0.982 106 V HN 0.504 nan 8.190 nan 0.000 0.451 107 E N 3.632 123.837 120.200 0.008 0.000 2.869 107 E HA 0.255 4.604 4.350 -0.001 0.000 0.207 107 E C -0.339 176.263 176.600 0.004 0.000 0.986 107 E CA -0.152 56.251 56.400 0.005 0.000 1.131 107 E CB 0.285 29.987 29.700 0.003 0.000 1.098 107 E HN 0.674 nan 8.360 nan 0.000 0.459 108 N N 1.666 120.370 118.700 0.006 0.000 5.068 108 N HA -0.123 4.616 4.740 -0.001 0.000 0.296 108 N C -0.411 175.102 175.510 0.006 0.000 0.784 108 N CA 0.523 53.577 53.050 0.005 0.000 0.677 108 N CB -1.414 37.075 38.487 0.004 0.000 1.726 108 N HN 0.280 nan 8.380 nan 0.000 0.680 109 N N 0.703 119.408 118.700 0.007 0.000 2.681 109 N HA -0.220 4.519 4.740 -0.001 0.000 0.250 109 N C 0.350 175.863 175.510 0.006 0.000 1.133 109 N CA 1.735 54.789 53.050 0.007 0.000 0.732 109 N CB -0.877 37.613 38.487 0.006 0.000 1.107 109 N HN 0.527 nan 8.380 nan 0.000 0.559 110 I N -0.554 120.020 120.570 0.007 0.000 2.927 110 I HA 0.136 4.306 4.170 -0.001 0.000 0.268 110 I C 0.876 176.998 176.117 0.007 0.000 1.153 110 I CA 1.053 62.357 61.300 0.006 0.000 1.459 110 I CB -1.190 36.813 38.000 0.005 0.000 1.149 110 I HN 0.386 nan 8.210 nan 0.000 0.443 111 E N -0.390 119.816 120.200 0.010 0.000 9.128 111 E HA -0.134 4.215 4.350 -0.001 0.000 0.466 111 E C -0.048 176.559 176.600 0.011 0.000 1.362 111 E CA 0.647 57.054 56.400 0.012 0.000 2.366 111 E CB -0.848 28.858 29.700 0.011 0.000 1.025 111 E HN 0.369 nan 8.360 nan 0.000 0.333 112 A N 0.454 123.282 122.820 0.014 0.000 1.877 112 A HA 0.599 4.918 4.320 -0.001 0.000 0.177 112 A C -0.659 176.932 177.584 0.012 0.000 1.684 112 A CA 0.398 52.442 52.037 0.013 0.000 1.774 112 A CB 0.779 19.788 19.000 0.016 0.000 1.732 112 A HN 0.473 nan 8.150 nan 0.000 0.909 113 E N -1.260 118.950 120.200 0.016 0.000 2.449 113 E HA 0.294 4.644 4.350 -0.001 0.000 0.278 113 E C -2.277 174.334 176.600 0.019 0.000 1.059 113 E CA -1.262 55.146 56.400 0.013 0.000 0.854 113 E CB 1.891 31.596 29.700 0.008 0.000 1.465 113 E HN 0.198 nan 8.360 nan 0.000 0.462 114 P HA -0.176 nan 4.420 nan 0.000 0.215 114 P C -0.127 177.193 177.300 0.034 0.000 1.157 114 P CA 1.402 64.512 63.100 0.016 0.000 0.868 114 P CB 0.214 31.913 31.700 -0.001 0.000 0.788 115 E N 0.248 120.468 120.200 0.033 0.000 2.393 115 E HA -0.155 4.195 4.350 -0.001 0.000 0.169 115 E C -0.628 176.025 176.600 0.089 0.000 1.591 115 E CA 0.248 56.683 56.400 0.058 0.000 0.661 115 E CB -1.875 27.865 29.700 0.067 0.000 1.097 115 E HN 0.314 nan 8.360 nan 0.000 0.356 116 E N 1.661 121.901 120.200 0.066 0.000 1.909 116 E HA 0.015 4.364 4.350 -0.001 0.000 0.253 116 E C -0.034 176.748 176.600 0.303 0.000 1.268 116 E CA 0.213 56.683 56.400 0.118 0.000 0.999 116 E CB 0.212 29.868 29.700 -0.075 0.000 1.072 116 E HN 0.164 nan 8.360 nan 0.000 0.428 117 V N 4.093 124.193 119.914 0.309 0.000 2.555 117 V HA -0.061 4.058 4.120 -0.001 0.000 0.286 117 V C 0.107 176.460 176.094 0.433 0.000 1.044 117 V CA -0.401 62.109 62.300 0.350 0.000 1.026 117 V CB -0.047 31.936 31.823 0.267 0.000 0.981 117 V HN 0.442 nan 8.190 nan 0.000 0.480 118 Y N 5.353 125.799 120.300 0.243 0.000 2.359 118 Y HA 0.312 4.861 4.550 -0.001 0.000 0.334 118 Y C 0.743 176.552 175.900 -0.152 0.000 1.058 118 Y CA -0.647 57.352 58.100 -0.168 0.000 1.244 118 Y CB 0.747 39.030 38.460 -0.295 0.000 1.187 118 Y HN 0.484 nan 8.280 nan 0.000 0.510 119 I N 4.073 124.388 120.570 -0.426 0.000 3.172 119 I HA 0.272 4.441 4.170 -0.001 0.000 0.278 119 I C 1.120 177.040 176.117 -0.328 0.000 1.174 119 I CA 1.420 62.493 61.300 -0.378 0.000 1.445 119 I CB -0.134 37.620 38.000 -0.409 0.000 1.175 119 I HN 0.876 nan 8.210 nan 0.000 0.447 120 G N 0.076 108.497 108.800 -0.633 0.000 2.404 120 G HA2 0.074 4.034 3.960 -0.001 0.000 0.253 120 G HA3 0.074 4.034 3.960 -0.001 0.000 0.253 120 G C -1.719 172.880 174.900 -0.502 0.000 1.253 120 G CA -0.589 44.335 45.100 -0.293 0.000 0.917 120 G HN 0.012 nan 8.290 nan 0.000 0.480 121 D N -0.198 120.093 120.400 -0.181 0.000 2.340 121 D HA 0.566 5.206 4.640 -0.001 0.000 0.240 121 D C -1.064 175.215 176.300 -0.036 0.000 1.001 121 D CA -0.350 53.566 54.000 -0.139 0.000 0.888 121 D CB 2.895 43.672 40.800 -0.039 0.000 1.310 121 D HN 0.386 nan 8.370 nan 0.000 0.474 122 L N 1.990 123.219 121.223 0.011 0.000 2.319 122 L HA 0.414 4.754 4.340 -0.001 0.000 0.281 122 L C -2.777 174.200 176.870 0.178 0.000 1.005 122 L CA -1.660 53.266 54.840 0.144 0.000 0.828 122 L CB 1.790 43.947 42.059 0.164 0.000 1.227 122 L HN -0.028 nan 8.230 nan 0.000 0.415 123 P HA 0.119 nan 4.420 nan 0.000 0.267 123 P C -0.855 176.610 177.300 0.275 0.000 1.209 123 P CA 0.155 63.361 63.100 0.177 0.000 0.763 123 P CB 0.257 31.980 31.700 0.040 0.000 0.816 124 I N 4.256 125.028 120.570 0.335 0.000 2.353 124 I HA 0.300 4.470 4.170 -0.001 0.000 0.293 124 I C 0.719 176.951 176.117 0.191 0.000 0.992 124 I CA -0.756 60.758 61.300 0.357 0.000 1.268 124 I CB 0.872 39.075 38.000 0.338 0.000 1.387 124 I HN 0.386 nan 8.210 nan 0.000 0.478 125 M N 5.845 125.265 119.600 -0.301 0.000 2.188 125 M HA 0.194 4.673 4.480 -0.001 0.000 0.354 125 M C -0.545 175.428 176.300 -0.545 0.000 1.342 125 M CA -0.614 54.106 55.300 -0.967 0.000 1.117 125 M CB 0.486 32.086 32.600 -1.667 0.000 1.670 125 M HN 0.281 nan 8.290 nan 0.000 0.466 126 L N 6.159 126.974 121.223 -0.680 0.000 2.506 126 L HA -0.020 4.319 4.340 -0.001 0.000 0.281 126 L C 1.025 177.673 176.870 -0.369 0.000 1.228 126 L CA 0.988 55.490 54.840 -0.564 0.000 0.850 126 L CB -0.041 41.508 42.059 -0.850 0.000 1.110 126 L HN 0.754 nan 8.230 nan 0.000 0.496 127 K N -0.630 119.638 120.400 -0.219 0.000 2.971 127 K HA -0.225 4.095 4.320 -0.001 0.000 0.265 127 K C 0.252 176.815 176.600 -0.061 0.000 1.052 127 K CA 0.893 57.114 56.287 -0.111 0.000 0.780 127 K CB -1.207 31.226 32.500 -0.112 0.000 1.214 127 K HN 0.841 nan 8.250 nan 0.000 0.478 128 S N -1.131 114.547 115.700 -0.036 0.000 2.681 128 S HA 0.584 5.053 4.470 -0.001 0.000 0.270 128 S C 1.601 176.256 174.600 0.092 0.000 1.209 128 S CA -0.367 57.874 58.200 0.068 0.000 0.988 128 S CB 1.769 65.115 63.200 0.243 0.000 1.006 128 S HN 0.230 nan 8.310 nan 0.000 0.558 129 A N 0.868 123.742 122.820 0.091 0.000 1.873 129 A HA -0.133 4.187 4.320 -0.001 0.000 0.218 129 A C 2.017 179.639 177.584 0.063 0.000 1.193 129 A CA 1.943 54.013 52.037 0.054 0.000 0.629 129 A CB -1.160 17.852 19.000 0.021 0.000 0.826 129 A HN 0.968 nan 8.150 nan 0.000 0.447 130 I N 0.070 120.687 120.570 0.079 0.000 3.001 130 I HA -0.022 4.147 4.170 -0.001 0.000 0.268 130 I C 0.334 176.521 176.117 0.117 0.000 1.267 130 I CA 0.240 61.586 61.300 0.076 0.000 1.472 130 I CB -0.404 37.629 38.000 0.056 0.000 1.089 130 I HN 0.275 nan 8.210 nan 0.000 0.468 131 D N 0.626 121.113 120.400 0.145 0.000 2.371 131 D HA 0.087 4.726 4.640 -0.001 0.000 0.256 131 D C -1.612 174.783 176.300 0.158 0.000 1.193 131 D CA -2.061 52.039 54.000 0.167 0.000 0.881 131 D CB 1.312 42.193 40.800 0.135 0.000 1.143 131 D HN 0.015 nan 8.370 nan 0.000 0.473 132 P HA -0.177 nan 4.420 nan 0.000 0.216 132 P C 1.395 178.920 177.300 0.375 0.000 1.154 132 P CA 0.747 63.995 63.100 0.247 0.000 0.865 132 P CB 0.118 31.986 31.700 0.280 0.000 0.789 133 I N -0.852 119.873 120.570 0.257 0.000 2.800 133 I HA -0.164 4.006 4.170 -0.001 0.000 0.266 133 I C 2.204 178.444 176.117 0.206 0.000 1.249 133 I CA 1.472 62.830 61.300 0.096 0.000 1.458 133 I CB -1.843 36.053 38.000 -0.174 0.000 1.093 133 I HN 0.035 nan 8.210 nan 0.000 0.466 134 S N 0.131 115.930 115.700 0.166 0.000 2.423 134 S HA -0.153 4.316 4.470 -0.001 0.000 0.231 134 S C 1.833 176.508 174.600 0.123 0.000 1.014 134 S CA 1.123 59.387 58.200 0.108 0.000 0.965 134 S CB 0.077 63.322 63.200 0.076 0.000 0.785 134 S HN 0.462 nan 8.310 nan 0.000 0.495 135 Q N -0.542 119.352 119.800 0.156 0.000 2.354 135 Q HA 0.123 4.463 4.340 -0.001 0.000 0.203 135 Q C -0.251 175.796 176.000 0.078 0.000 0.933 135 Q CA 0.133 55.979 55.803 0.072 0.000 0.901 135 Q CB -0.073 28.663 28.738 -0.002 0.000 1.007 135 Q HN 0.577 nan 8.270 nan 0.000 0.495 136 Y N 1.093 121.397 120.300 0.007 0.000 2.757 136 Y HA -0.084 4.466 4.550 -0.001 0.000 0.344 136 Y C 1.320 177.220 175.900 0.001 0.000 1.263 136 Y CA 0.731 58.834 58.100 0.005 0.000 1.493 136 Y CB 0.258 38.722 38.460 0.006 0.000 1.342 136 Y HN -0.183 nan 8.280 nan 0.000 0.627 137 T N 2.228 116.867 114.554 0.141 0.000 2.849 137 T HA 0.131 4.481 4.350 -0.001 0.000 0.284 137 T C 1.154 175.908 174.700 0.090 0.000 1.004 137 T CA -0.633 61.517 62.100 0.083 0.000 1.021 137 T CB 0.462 69.356 68.868 0.043 0.000 1.013 137 T HN 0.724 nan 8.240 nan 0.000 0.527 138 L N 1.645 122.899 121.223 0.051 0.000 2.083 138 L HA -0.008 4.331 4.340 -0.001 0.000 0.209 138 L C 1.683 178.569 176.870 0.027 0.000 1.083 138 L CA 1.910 56.770 54.840 0.033 0.000 0.752 138 L CB -0.243 41.827 42.059 0.017 0.000 0.899 138 L HN 0.647 nan 8.230 nan 0.000 0.433 139 D N -0.474 119.944 120.400 0.030 0.000 2.317 139 D HA -0.109 4.530 4.640 -0.001 0.000 0.211 139 D C 2.023 178.349 176.300 0.044 0.000 0.966 139 D CA 0.750 54.764 54.000 0.024 0.000 0.876 139 D CB 0.135 40.945 40.800 0.017 0.000 0.927 139 D HN 0.328 nan 8.370 nan 0.000 0.519 140 K N -0.182 120.270 120.400 0.088 0.000 2.116 140 K HA -0.010 4.310 4.320 -0.001 0.000 0.203 140 K C 1.602 178.270 176.600 0.114 0.000 1.052 140 K CA 0.312 56.696 56.287 0.163 0.000 0.952 140 K CB 0.116 32.799 32.500 0.304 0.000 0.729 140 K HN 0.029 nan 8.250 nan 0.000 0.446 141 L N 1.172 122.422 121.223 0.045 0.000 2.141 141 L HA -0.171 4.168 4.340 -0.001 0.000 0.209 141 L C 2.006 178.842 176.870 -0.057 0.000 1.094 141 L CA 1.270 56.069 54.840 -0.068 0.000 0.763 141 L CB -0.407 41.614 42.059 -0.063 0.000 0.908 141 L HN 0.152 nan 8.230 nan 0.000 0.437 142 I N -0.493 120.061 120.570 -0.027 0.000 2.142 142 I HA -0.252 3.917 4.170 -0.001 0.000 0.240 142 I C 2.362 178.462 176.117 -0.029 0.000 1.078 142 I CA 1.285 62.564 61.300 -0.035 0.000 1.343 142 I CB -1.280 36.704 38.000 -0.027 0.000 1.046 142 I HN 0.376 nan 8.210 nan 0.000 0.405 143 E N 0.462 120.660 120.200 -0.003 0.000 2.160 143 E HA -0.197 4.152 4.350 -0.001 0.000 0.195 143 E C 2.256 178.857 176.600 0.002 0.000 0.991 143 E CA 0.838 57.243 56.400 0.009 0.000 0.810 143 E CB 0.046 29.771 29.700 0.041 0.000 0.742 143 E HN 0.336 nan 8.360 nan 0.000 0.466 144 I N -0.489 120.067 120.570 -0.023 0.000 2.233 144 I HA -0.086 4.084 4.170 -0.001 0.000 0.243 144 I C 1.666 177.747 176.117 -0.061 0.000 1.093 144 I CA 1.657 62.920 61.300 -0.061 0.000 1.380 144 I CB -0.480 37.406 38.000 -0.189 0.000 1.067 144 I HN 0.306 nan 8.210 nan 0.000 0.413 145 G N 1.490 110.248 108.800 -0.069 0.000 2.165 145 G HA2 -0.097 3.863 3.960 -0.001 0.000 0.144 145 G HA3 -0.097 3.863 3.960 -0.001 0.000 0.144 145 G C -0.026 174.826 174.900 -0.080 0.000 1.049 145 G CA 0.080 45.139 45.100 -0.068 0.000 0.741 145 G HN 0.491 nan 8.290 nan 0.000 0.493 146 E N 0.003 120.152 120.200 -0.085 0.000 2.449 146 E HA 0.577 4.927 4.350 -0.001 0.000 0.278 146 E C -1.373 175.184 176.600 -0.072 0.000 0.992 146 E CA -0.943 55.410 56.400 -0.079 0.000 0.807 146 E CB 1.093 30.750 29.700 -0.072 0.000 1.350 146 E HN 0.059 nan 8.360 nan 0.000 0.462 147 D N 0.667 121.030 120.400 -0.062 0.000 2.350 147 D HA 0.123 4.762 4.640 -0.001 0.000 0.249 147 D C -1.521 174.760 176.300 -0.032 0.000 1.119 147 D CA -2.158 51.805 54.000 -0.060 0.000 0.886 147 D CB 0.821 41.572 40.800 -0.082 0.000 1.195 147 D HN 0.186 nan 8.370 nan 0.000 0.437 148 P HA -0.085 nan 4.420 nan 0.000 0.230 148 P C 0.668 177.979 177.300 0.018 0.000 1.158 148 P CA 0.730 63.824 63.100 -0.011 0.000 0.769 148 P CB 0.318 32.010 31.700 -0.013 0.000 0.807 149 K N -0.380 120.037 120.400 0.027 0.000 2.400 149 K HA 0.023 4.342 4.320 -0.001 0.000 0.194 149 K C 0.877 177.612 176.600 0.225 0.000 1.033 149 K CA -0.173 56.175 56.287 0.101 0.000 1.021 149 K CB -0.024 32.493 32.500 0.029 0.000 0.808 149 K HN 0.145 nan 8.250 nan 0.000 0.505 150 D N 1.630 122.139 120.400 0.181 0.000 2.488 150 D HA -0.040 4.599 4.640 -0.001 0.000 0.238 150 D C -1.614 174.775 176.300 0.149 0.000 1.138 150 D CA -0.968 53.162 54.000 0.216 0.000 0.873 150 D CB 1.364 42.264 40.800 0.168 0.000 1.183 150 D HN 0.017 nan 8.370 nan 0.000 0.458 151 P HA 0.131 nan 4.420 nan 0.000 0.228 151 P C 0.807 178.122 177.300 0.026 0.000 1.166 151 P CA 0.577 63.719 63.100 0.070 0.000 0.812 151 P CB 0.429 32.150 31.700 0.035 0.000 0.857 152 G N -0.296 108.550 108.800 0.078 0.000 2.645 152 G HA2 0.051 4.011 3.960 -0.001 0.000 0.239 152 G HA3 0.051 4.011 3.960 -0.001 0.000 0.239 152 G C 0.643 175.465 174.900 -0.130 0.000 1.331 152 G CA 0.205 45.189 45.100 -0.192 0.000 0.890 152 G HN 0.724 nan 8.290 nan 0.000 0.572 153 G N -2.964 105.609 108.800 -0.377 0.000 2.176 153 G HA2 0.201 4.161 3.960 -0.001 0.000 0.232 153 G HA3 0.201 4.161 3.960 -0.001 0.000 0.232 153 G C 0.306 174.899 174.900 -0.512 0.000 0.986 153 G CA 1.414 46.308 45.100 -0.344 0.000 0.643 153 G HN 2.452 nan 8.290 nan 0.000 0.522 154 Y N -0.259 119.702 120.300 -0.565 0.000 2.350 154 Y HA 0.801 5.350 4.550 -0.001 0.000 0.338 154 Y C 0.082 175.649 175.900 -0.556 0.000 0.961 154 Y CA -2.956 54.820 58.100 -0.541 0.000 1.100 154 Y CB 0.615 38.891 38.460 -0.307 0.000 1.179 154 Y HN 0.018 nan 8.280 nan 0.000 0.454 155 F N 3.040 122.860 119.950 -0.217 0.000 2.390 155 F HA 0.518 5.044 4.527 -0.001 0.000 0.307 155 F C 0.225 175.999 175.800 -0.043 0.000 1.227 155 F CA -0.827 57.049 58.000 -0.207 0.000 1.179 155 F CB 0.477 39.373 39.000 -0.173 0.000 1.280 155 F HN 0.367 nan 8.300 nan 0.000 0.548 156 I N 1.980 122.661 120.570 0.185 0.000 2.410 156 I HA 0.382 4.552 4.170 -0.001 0.000 0.286 156 I C -1.234 174.987 176.117 0.173 0.000 1.009 156 I CA -0.896 60.499 61.300 0.159 0.000 1.111 156 I CB 1.540 39.598 38.000 0.096 0.000 1.262 156 I HN 0.310 nan 8.210 nan 0.000 0.443 157 V N 2.964 122.966 119.914 0.148 0.000 2.487 157 V HA 0.553 4.673 4.120 -0.001 0.000 0.298 157 V C 0.229 176.393 176.094 0.116 0.000 1.028 157 V CA -0.715 61.664 62.300 0.133 0.000 0.860 157 V CB 1.458 33.356 31.823 0.126 0.000 0.991 157 V HN 0.872 nan 8.190 nan 0.000 0.427 158 N N 3.183 121.953 118.700 0.117 0.000 2.714 158 N HA -0.228 4.512 4.740 -0.001 0.000 0.250 158 N C 1.214 176.773 175.510 0.082 0.000 1.117 158 N CA 1.985 55.095 53.050 0.101 0.000 0.719 158 N CB -1.335 37.210 38.487 0.097 0.000 1.081 158 N HN 2.018 nan 8.380 nan 0.000 0.557 159 G N -1.691 107.161 108.800 0.087 0.000 2.358 159 G HA2 -0.313 3.647 3.960 -0.001 0.000 0.224 159 G HA3 -0.313 3.647 3.960 -0.001 0.000 0.224 159 G C 0.052 174.991 174.900 0.064 0.000 1.073 159 G CA 0.668 45.810 45.100 0.071 0.000 0.635 159 G HN 1.317 nan 8.290 nan 0.000 0.509 160 S N 0.746 116.484 115.700 0.063 0.000 2.554 160 S HA 0.629 5.098 4.470 -0.001 0.000 0.278 160 S C -0.185 174.459 174.600 0.074 0.000 1.242 160 S CA -0.274 57.956 58.200 0.051 0.000 1.051 160 S CB 1.929 65.151 63.200 0.037 0.000 0.986 160 S HN 0.442 nan 8.310 nan 0.000 0.502 161 E N 1.398 121.632 120.200 0.057 0.000 2.104 161 E HA 0.199 4.548 4.350 -0.001 0.000 0.278 161 E C -0.367 176.277 176.600 0.072 0.000 1.127 161 E CA -0.162 56.297 56.400 0.097 0.000 0.897 161 E CB 0.373 30.046 29.700 -0.046 0.000 1.043 161 E HN 0.339 nan 8.360 nan 0.000 0.410 162 R N 2.383 122.966 120.500 0.139 0.000 2.265 162 R HA 0.338 4.677 4.340 -0.001 0.000 0.319 162 R C -1.347 175.036 176.300 0.138 0.000 1.006 162 R CA -0.570 55.599 56.100 0.114 0.000 0.880 162 R CB 1.380 31.761 30.300 0.134 0.000 1.077 162 R HN 0.336 nan 8.270 nan 0.000 0.454 163 V N 6.743 126.660 119.914 0.006 0.000 2.444 163 V HA 0.463 4.582 4.120 -0.001 0.000 0.294 163 V C -0.364 175.662 176.094 -0.114 0.000 1.022 163 V CA -0.841 61.401 62.300 -0.096 0.000 0.850 163 V CB 1.397 33.032 31.823 -0.313 0.000 0.992 163 V HN 0.737 nan 8.190 nan 0.000 0.426 164 I N 7.229 127.754 120.570 -0.075 0.000 2.436 164 I HA 0.198 4.368 4.170 -0.001 0.000 0.289 164 I C 0.161 176.115 176.117 -0.273 0.000 1.083 164 I CA 0.281 61.533 61.300 -0.080 0.000 1.372 164 I CB 1.358 39.381 38.000 0.038 0.000 1.408 164 I HN 0.393 nan 8.210 nan 0.000 0.516 165 V N 6.500 126.363 119.914 -0.085 0.000 2.617 165 V HA 0.233 4.352 4.120 -0.001 0.000 0.298 165 V C 0.561 176.734 176.094 0.131 0.000 1.048 165 V CA -0.270 62.044 62.300 0.023 0.000 0.964 165 V CB 2.089 33.995 31.823 0.137 0.000 1.004 165 V HN 0.815 nan 8.190 nan 0.000 0.466 166 T N 5.438 120.162 114.554 0.283 0.000 2.901 166 T HA 0.269 4.618 4.350 -0.001 0.000 0.301 166 T C -0.025 174.773 174.700 0.164 0.000 1.012 166 T CA -0.378 61.882 62.100 0.267 0.000 1.135 166 T CB 0.601 69.614 68.868 0.242 0.000 0.936 166 T HN 0.765 nan 8.240 nan 0.000 0.539 167 Q N 2.484 122.365 119.800 0.135 0.000 2.239 167 Q HA 0.492 4.832 4.340 -0.001 0.000 0.193 167 Q C -0.444 175.616 176.000 0.099 0.000 1.004 167 Q CA -0.617 55.249 55.803 0.105 0.000 1.040 167 Q CB 0.805 29.597 28.738 0.090 0.000 1.149 167 Q HN 0.874 nan 8.270 nan 0.000 0.535 168 E N 0.760 121.008 120.200 0.080 0.000 2.317 168 E HA 0.242 4.591 4.350 -0.001 0.000 0.270 168 E C -1.463 175.161 176.600 0.041 0.000 0.899 168 E CA -0.290 56.154 56.400 0.074 0.000 0.814 168 E CB 1.023 30.775 29.700 0.086 0.000 1.296 168 E HN 0.346 nan 8.360 nan 0.000 0.404 169 D N 3.185 123.606 120.400 0.035 0.000 2.272 169 D HA 0.287 4.926 4.640 -0.001 0.000 0.247 169 D C -0.221 176.075 176.300 -0.007 0.000 0.990 169 D CA -0.556 53.455 54.000 0.018 0.000 0.931 169 D CB 1.883 42.702 40.800 0.030 0.000 1.195 169 D HN 0.427 nan 8.370 nan 0.000 0.477 170 L N 1.389 122.603 121.223 -0.014 0.000 2.410 170 L HA 0.272 4.611 4.340 -0.001 0.000 0.273 170 L C 0.456 177.323 176.870 -0.005 0.000 1.152 170 L CA -0.171 54.654 54.840 -0.024 0.000 0.855 170 L CB 0.588 42.634 42.059 -0.022 0.000 1.129 170 L HN 0.455 nan 8.230 nan 0.000 0.463 171 A N 7.405 130.224 122.820 -0.001 0.000 2.555 171 A HA 0.270 4.589 4.320 -0.001 0.000 0.233 171 A C -2.207 175.388 177.584 0.017 0.000 1.060 171 A CA -0.717 51.332 52.037 0.019 0.000 0.759 171 A CB -0.733 18.285 19.000 0.030 0.000 0.995 171 A HN 0.586 nan 8.150 nan 0.000 0.506 172 P HA 0.301 nan 4.420 nan 0.000 0.278 172 P C 0.176 177.472 177.300 -0.008 0.000 1.266 172 P CA -0.322 62.778 63.100 0.000 0.000 0.807 172 P CB 0.780 32.488 31.700 0.013 0.000 1.094 173 N N -1.629 117.011 118.700 -0.100 0.000 3.540 173 N HA -0.213 4.526 4.740 -0.001 0.000 0.224 173 N C 0.586 176.083 175.510 -0.022 0.000 0.162 173 N CA 2.045 54.983 53.050 -0.186 0.000 3.550 173 N CB -1.970 36.545 38.487 0.047 0.000 1.144 173 N HN 0.743 nan 8.380 nan 0.000 0.272 174 R N 2.405 122.972 120.500 0.111 0.000 2.758 174 R HA 0.299 4.639 4.340 -0.001 0.000 0.263 174 R C -0.197 176.194 176.300 0.151 0.000 1.010 174 R CA -0.006 56.212 56.100 0.196 0.000 1.114 174 R CB 0.205 30.605 30.300 0.167 0.000 0.985 174 R HN 0.099 nan 8.270 nan 0.000 0.439 175 V N 4.520 124.533 119.914 0.166 0.000 2.432 175 V HA 0.230 4.349 4.120 -0.001 0.000 0.271 175 V C 0.343 176.462 176.094 0.041 0.000 1.046 175 V CA -0.411 61.941 62.300 0.086 0.000 0.945 175 V CB 0.729 32.559 31.823 0.011 0.000 0.992 175 V HN 0.529 nan 8.190 nan 0.000 0.471 176 L N 6.047 127.289 121.223 0.031 0.000 2.325 176 L HA 0.594 4.933 4.340 -0.001 0.000 0.281 176 L C -0.341 176.536 176.870 0.012 0.000 1.004 176 L CA -0.692 54.159 54.840 0.018 0.000 0.823 176 L CB 1.846 43.915 42.059 0.016 0.000 1.236 176 L HN 0.363 nan 8.230 nan 0.000 0.415 177 V N 1.089 121.007 119.914 0.007 0.000 2.863 177 V HA 0.504 4.624 4.120 -0.001 0.000 0.307 177 V C -0.539 175.564 176.094 0.016 0.000 1.061 177 V CA -0.370 61.937 62.300 0.012 0.000 1.024 177 V CB 1.937 33.768 31.823 0.013 0.000 1.049 177 V HN 0.704 nan 8.190 nan 0.000 0.471 178 D N 0.000 120.410 120.400 0.017 0.000 2.661 178 D HA 0.436 5.075 4.640 -0.001 0.000 0.228 178 D C -1.054 175.233 176.300 -0.023 0.000 1.210 178 D CA -0.277 53.723 54.000 0.001 0.000 0.826 178 D CB 2.397 43.195 40.800 -0.004 0.000 1.542 178 D HN 0.539 nan 8.370 nan 0.000 0.447 179 T N 1.533 116.050 114.554 -0.061 0.000 2.770 179 T HA 0.593 4.942 4.350 -0.001 0.000 0.297 179 T C 0.560 175.176 174.700 -0.140 0.000 0.997 179 T CA -0.623 61.380 62.100 -0.163 0.000 0.949 179 T CB 1.241 70.004 68.868 -0.175 0.000 0.941 179 T HN 0.403 nan 8.240 nan 0.000 0.457 180 G N 2.519 111.227 108.800 -0.154 0.000 4.420 180 G HA2 0.192 4.152 3.960 -0.001 0.000 0.299 180 G HA3 0.192 4.152 3.960 -0.001 0.000 0.299 180 G C 0.390 175.224 174.900 -0.110 0.000 1.343 180 G CA -0.651 44.388 45.100 -0.100 0.000 1.272 180 G HN 0.575 nan 8.290 nan 0.000 0.610 181 K N 0.896 121.215 120.400 -0.136 0.000 3.233 181 K HA 0.092 4.411 4.320 -0.001 0.000 0.283 181 K C 1.316 177.873 176.600 -0.072 0.000 1.209 181 K CA -0.165 56.051 56.287 -0.119 0.000 1.197 181 K CB 0.152 32.564 32.500 -0.146 0.000 1.431 181 K HN 0.201 nan 8.250 nan 0.000 0.326 182 T N -0.442 114.079 114.554 -0.055 0.000 2.812 182 T HA -0.041 4.308 4.350 -0.001 0.000 0.264 182 T C 1.248 175.930 174.700 -0.030 0.000 1.042 182 T CA 1.021 63.099 62.100 -0.036 0.000 1.140 182 T CB 0.097 68.949 68.868 -0.026 0.000 0.870 182 T HN 0.572 nan 8.240 nan 0.000 0.445 183 G N 1.231 110.014 108.800 -0.029 0.000 2.519 183 G HA2 0.261 4.221 3.960 -0.001 0.000 0.229 183 G HA3 0.261 4.221 3.960 -0.001 0.000 0.229 183 G C -0.079 174.813 174.900 -0.013 0.000 1.333 183 G CA -0.088 44.999 45.100 -0.020 0.000 0.939 183 G HN 0.794 nan 8.290 nan 0.000 0.501 184 S N -1.289 114.403 115.700 -0.014 0.000 2.819 184 S HA 0.602 5.071 4.470 -0.001 0.000 0.299 184 S C 0.884 175.484 174.600 -0.001 0.000 1.192 184 S CA -0.232 57.964 58.200 -0.007 0.000 0.847 184 S CB 0.974 64.168 63.200 -0.009 0.000 1.224 184 S HN -0.038 nan 8.310 nan 0.000 0.537 185 N N 0.484 119.187 118.700 0.005 0.000 2.223 185 N HA 0.083 4.823 4.740 -0.001 0.000 0.185 185 N C 0.272 175.792 175.510 0.016 0.000 1.016 185 N CA 1.086 54.147 53.050 0.018 0.000 0.863 185 N CB -0.505 37.995 38.487 0.022 0.000 0.983 185 N HN 0.571 nan 8.380 nan 0.000 0.429 186 I N 0.791 121.361 120.570 0.000 0.000 2.396 186 I HA 0.067 4.236 4.170 -0.001 0.000 0.289 186 I C 0.879 176.979 176.117 -0.028 0.000 1.056 186 I CA 0.442 61.736 61.300 -0.010 0.000 1.365 186 I CB 0.703 38.692 38.000 -0.018 0.000 1.407 186 I HN 0.015 nan 8.210 nan 0.000 0.509 187 T N 4.499 119.043 114.554 -0.017 0.000 3.114 187 T HA 0.165 4.515 4.350 -0.001 0.000 0.240 187 T C 0.545 175.085 174.700 -0.266 0.000 0.983 187 T CA 0.529 62.579 62.100 -0.083 0.000 1.151 187 T CB 0.255 69.176 68.868 0.089 0.000 0.974 187 T HN 0.513 nan 8.240 nan 0.000 0.442 188 H N 0.456 119.510 119.070 -0.028 0.000 2.622 188 H HA 0.663 5.218 4.556 -0.001 0.000 0.363 188 H C -0.744 174.540 175.328 -0.073 0.000 1.151 188 H CA -0.251 55.773 56.048 -0.039 0.000 1.184 188 H CB 2.234 31.991 29.762 -0.007 0.000 1.643 188 H HN 0.138 nan 8.280 nan 0.000 0.531 189 T N 0.539 115.120 114.554 0.046 0.000 2.868 189 T HA 0.665 5.015 4.350 -0.001 0.000 0.306 189 T C -1.556 173.152 174.700 0.013 0.000 1.224 189 T CA -0.522 61.581 62.100 0.005 0.000 1.012 189 T CB 1.630 70.496 68.868 -0.004 0.000 1.221 189 T HN 0.775 nan 8.240 nan 0.000 0.499 190 A N 2.608 125.436 122.820 0.012 0.000 2.401 190 A HA 0.839 5.158 4.320 -0.001 0.000 0.310 190 A C -0.965 176.640 177.584 0.035 0.000 1.075 190 A CA -0.802 51.247 52.037 0.019 0.000 0.746 190 A CB 1.662 20.668 19.000 0.011 0.000 1.277 190 A HN 0.783 nan 8.150 nan 0.000 0.425 191 K N 2.568 122.988 120.400 0.034 0.000 2.535 191 K HA 0.602 4.921 4.320 -0.001 0.000 0.253 191 K C -1.645 174.980 176.600 0.042 0.000 0.953 191 K CA -0.292 56.018 56.287 0.038 0.000 0.863 191 K CB 0.750 33.266 32.500 0.027 0.000 1.111 191 K HN 0.672 nan 8.250 nan 0.000 0.431 192 I N 5.988 126.587 120.570 0.048 0.000 2.328 192 I HA 0.296 4.466 4.170 -0.001 0.000 0.287 192 I C -0.368 175.732 176.117 -0.028 0.000 1.012 192 I CA -0.932 60.390 61.300 0.036 0.000 1.195 192 I CB 1.164 39.222 38.000 0.096 0.000 1.350 192 I HN 0.414 nan 8.210 nan 0.000 0.464 193 I N 5.838 126.373 120.570 -0.058 0.000 2.328 193 I HA 0.192 4.362 4.170 -0.001 0.000 0.287 193 I C 0.388 176.409 176.117 -0.161 0.000 1.012 193 I CA -0.222 61.035 61.300 -0.073 0.000 1.195 193 I CB 1.392 39.374 38.000 -0.031 0.000 1.350 193 I HN 0.518 nan 8.210 nan 0.000 0.464 194 S N 4.209 119.806 115.700 -0.171 0.000 2.462 194 S HA 0.608 5.077 4.470 -0.001 0.000 0.294 194 S C 0.069 174.645 174.600 -0.040 0.000 1.144 194 S CA -0.664 57.416 58.200 -0.199 0.000 1.088 194 S CB 2.072 65.208 63.200 -0.106 0.000 1.009 194 S HN 0.624 nan 8.310 nan 0.000 0.484 195 S N 2.888 118.586 115.700 -0.004 0.000 2.745 195 S HA 0.901 5.371 4.470 -0.001 0.000 0.292 195 S C -0.042 174.577 174.600 0.031 0.000 1.133 195 S CA 0.238 58.448 58.200 0.018 0.000 0.998 195 S CB 0.406 63.619 63.200 0.021 0.000 1.087 195 S HN 1.353 nan 8.310 nan 0.000 0.551 204 T N 7.470 122.048 114.554 0.039 0.000 2.848 204 T HA 0.699 5.049 4.350 -0.001 0.000 0.285 204 T C -0.493 174.240 174.700 0.055 0.000 0.995 204 T CA -0.368 61.773 62.100 0.068 0.000 0.970 204 T CB 1.659 70.617 68.868 0.151 0.000 0.976 204 T HN 0.442 nan 8.240 nan 0.000 0.441 205 I N 2.905 123.500 120.570 0.043 0.000 2.428 205 I HA 0.336 4.505 4.170 -0.001 0.000 0.289 205 I C 0.510 176.709 176.117 0.136 0.000 1.019 205 I CA -0.052 61.282 61.300 0.057 0.000 1.351 205 I CB 0.592 38.610 38.000 0.030 0.000 1.412 205 I HN 0.438 nan 8.210 nan 0.000 0.513 206 E N 6.587 126.852 120.200 0.109 0.000 2.260 206 E HA 0.500 4.850 4.350 -0.001 0.000 0.266 206 E C -0.930 175.739 176.600 0.115 0.000 0.887 206 E CA -0.735 55.743 56.400 0.131 0.000 0.777 206 E CB 2.192 31.919 29.700 0.045 0.000 1.205 206 E HN 0.484 nan 8.360 nan 0.000 0.414 207 R N 2.059 122.648 120.500 0.149 0.000 2.854 207 R HA 0.656 4.995 4.340 -0.001 0.000 0.271 207 R C -0.244 176.130 176.300 0.125 0.000 0.994 207 R CA -0.930 55.237 56.100 0.112 0.000 0.945 207 R CB 1.770 32.127 30.300 0.094 0.000 1.194 207 R HN 0.300 nan 8.270 nan 0.000 0.476 208 L N 2.717 123.983 121.223 0.073 0.000 2.470 208 L HA 0.360 4.700 4.340 -0.001 0.000 0.253 208 L C -0.015 176.826 176.870 -0.048 0.000 1.163 208 L CA -0.461 54.404 54.840 0.041 0.000 0.932 208 L CB 0.970 43.042 42.059 0.022 0.000 1.213 208 L HN 0.421 nan 8.230 nan 0.000 0.485 209 K N 1.344 121.737 120.400 -0.011 0.000 2.462 209 K HA 0.357 4.676 4.320 -0.001 0.000 0.257 209 K C -0.334 176.163 176.600 -0.171 0.000 1.062 209 K CA -0.259 56.005 56.287 -0.039 0.000 0.923 209 K CB 0.482 32.999 32.500 0.028 0.000 1.210 209 K HN 0.552 nan 8.250 nan 0.000 0.502 210 D N -3.737 116.605 120.400 -0.097 0.000 4.216 210 D HA 0.144 4.783 4.640 -0.001 0.000 0.363 210 D C 0.575 176.858 176.300 -0.029 0.000 1.625 210 D CA 0.185 54.060 54.000 -0.208 0.000 0.968 210 D CB 0.300 40.852 40.800 -0.414 0.000 1.502 210 D HN 0.634 nan 8.370 nan 0.000 0.617 211 G N -1.263 107.508 108.800 -0.048 0.000 2.612 211 G HA2 -0.197 3.763 3.960 -0.001 0.000 0.200 211 G HA3 -0.197 3.763 3.960 -0.001 0.000 0.200 211 G C 0.785 175.679 174.900 -0.009 0.000 1.053 211 G CA 1.127 46.238 45.100 0.018 0.000 0.707 211 G HN 0.829 nan 8.290 nan 0.000 0.497 212 T N -1.512 113.021 114.554 -0.036 0.000 3.434 212 T HA 0.550 4.900 4.350 -0.001 0.000 0.279 212 T C -0.353 174.389 174.700 0.070 0.000 0.955 212 T CA 0.907 62.993 62.100 -0.023 0.000 1.048 212 T CB 1.309 70.163 68.868 -0.023 0.000 1.186 212 T HN 0.932 nan 8.240 nan 0.000 0.485 213 F N 0.610 120.406 119.950 -0.258 0.000 2.628 213 F HA 0.314 4.840 4.527 -0.001 0.000 0.304 213 F C -0.990 174.521 175.800 -0.482 0.000 1.006 213 F CA -0.855 56.992 58.000 -0.254 0.000 0.941 213 F CB 0.606 39.504 39.000 -0.170 0.000 1.306 213 F HN 0.228 nan 8.300 nan 0.000 0.524 214 H N 0.961 120.151 119.070 0.200 0.000 3.110 214 H HA 0.925 5.481 4.556 -0.001 0.000 0.277 214 H C -1.493 173.980 175.328 0.242 0.000 1.571 214 H CA -0.820 55.358 56.048 0.218 0.000 1.206 214 H CB 1.830 31.660 29.762 0.114 0.000 1.852 214 H HN 0.433 nan 8.280 nan 0.000 0.629 215 V N -0.920 119.222 119.914 0.380 0.000 3.076 215 V HA 0.730 4.849 4.120 -0.001 0.000 0.311 215 V C -1.095 175.151 176.094 0.253 0.000 1.346 215 V CA -0.403 62.083 62.300 0.309 0.000 1.056 215 V CB 2.320 34.361 31.823 0.363 0.000 1.093 215 V HN 0.692 nan 8.190 nan 0.000 0.468 216 S N 0.466 116.328 115.700 0.270 0.000 2.533 216 S HA 0.830 5.299 4.470 -0.001 0.000 0.271 216 S C -2.107 172.735 174.600 0.404 0.000 1.143 216 S CA -0.311 58.045 58.200 0.260 0.000 0.891 216 S CB 1.406 64.708 63.200 0.170 0.000 1.105 216 S HN 0.745 nan 8.310 nan 0.000 0.468 217 F N 4.276 124.306 119.950 0.134 0.000 2.652 217 F HA 0.448 4.975 4.527 -0.001 0.000 0.320 217 F C -2.517 173.337 175.800 0.091 0.000 1.115 217 F CA -1.446 56.639 58.000 0.140 0.000 1.053 217 F CB 1.487 40.638 39.000 0.251 0.000 1.297 217 F HN 0.371 nan 8.300 nan 0.000 0.471 218 P HA -0.045 nan 4.420 nan 0.000 0.213 218 P C 1.446 178.545 177.300 -0.336 0.000 1.170 218 P CA 2.547 65.463 63.100 -0.305 0.000 0.893 218 P CB 0.010 31.520 31.700 -0.316 0.000 0.784 219 A N -0.714 121.747 122.820 -0.599 0.000 2.093 219 A HA -0.114 4.205 4.320 -0.001 0.000 0.222 219 A C 1.025 178.523 177.584 -0.142 0.000 1.162 219 A CA 1.403 53.185 52.037 -0.425 0.000 0.655 219 A CB -1.373 17.313 19.000 -0.523 0.000 0.805 219 A HN 0.161 nan 8.150 nan 0.000 0.461 220 V N 2.309 122.216 119.914 -0.013 0.000 2.284 220 V HA 0.262 4.382 4.120 -0.001 0.000 0.274 220 V C -2.463 173.668 176.094 0.061 0.000 1.023 220 V CA -1.885 60.468 62.300 0.087 0.000 0.808 220 V CB 1.139 33.096 31.823 0.222 0.000 1.035 220 V HN 0.241 nan 8.190 nan 0.000 0.445 221 P HA 0.277 nan 4.420 nan 0.000 0.271 221 P C 0.953 178.277 177.300 0.040 0.000 1.216 221 P CA 1.150 64.260 63.100 0.017 0.000 0.776 221 P CB 1.421 33.121 31.700 0.001 0.000 0.881 222 G N 2.190 111.013 108.800 0.038 0.000 2.308 222 G HA2 -0.227 3.732 3.960 -0.001 0.000 0.221 222 G HA3 -0.227 3.732 3.960 -0.001 0.000 0.221 222 G C 0.007 174.938 174.900 0.051 0.000 1.032 222 G CA 0.447 45.571 45.100 0.039 0.000 0.623 222 G HN 0.982 nan 8.290 nan 0.000 0.506 223 K N -0.698 119.756 120.400 0.091 0.000 5.504 223 K HA -0.022 4.297 4.320 -0.001 0.000 0.578 223 K C -1.322 175.359 176.600 0.135 0.000 2.575 223 K CA 0.970 57.333 56.287 0.128 0.000 2.024 223 K CB -1.017 31.538 32.500 0.090 0.000 2.552 223 K HN 0.915 nan 8.250 nan 0.000 0.185 224 I N 2.123 122.804 120.570 0.186 0.000 2.686 224 I HA 0.385 4.554 4.170 -0.001 0.000 0.295 224 I C -2.244 174.018 176.117 0.241 0.000 1.114 224 I CA -2.457 58.956 61.300 0.189 0.000 1.038 224 I CB 1.473 39.570 38.000 0.161 0.000 1.238 224 I HN 0.605 nan 8.210 nan 0.000 0.420 225 P HA -0.025 nan 4.420 nan 0.000 0.267 225 P C 0.708 178.146 177.300 0.231 0.000 1.195 225 P CA 0.196 63.450 63.100 0.257 0.000 0.773 225 P CB 0.600 32.395 31.700 0.158 0.000 0.837 226 F N 3.646 123.676 119.950 0.133 0.000 2.186 226 F HA -0.134 4.393 4.527 -0.001 0.000 0.299 226 F C 1.951 177.766 175.800 0.024 0.000 1.090 226 F CA 1.366 59.430 58.000 0.107 0.000 1.307 226 F CB -0.737 38.360 39.000 0.161 0.000 1.019 226 F HN 0.087 nan 8.300 nan 0.000 0.489 227 V N 0.937 120.751 119.914 -0.168 0.000 2.515 227 V HA -0.238 3.881 4.120 -0.001 0.000 0.250 227 V C 2.146 178.092 176.094 -0.246 0.000 1.058 227 V CA 2.228 64.349 62.300 -0.298 0.000 1.064 227 V CB -0.443 31.302 31.823 -0.129 0.000 0.675 227 V HN 0.428 nan 8.190 nan 0.000 0.461 228 I N -0.557 119.932 120.570 -0.135 0.000 2.286 228 I HA -0.180 3.990 4.170 -0.001 0.000 0.245 228 I C 2.333 178.376 176.117 -0.124 0.000 1.104 228 I CA 1.408 62.650 61.300 -0.097 0.000 1.397 228 I CB -0.303 37.681 38.000 -0.026 0.000 1.072 228 I HN 0.247 nan 8.210 nan 0.000 0.417 229 L N -0.168 120.970 121.223 -0.142 0.000 2.217 229 L HA -0.141 4.199 4.340 -0.001 0.000 0.211 229 L C 2.570 179.272 176.870 -0.281 0.000 1.107 229 L CA 0.922 55.645 54.840 -0.195 0.000 0.783 229 L CB -0.316 41.641 42.059 -0.170 0.000 0.919 229 L HN 0.362 nan 8.230 nan 0.000 0.442 230 M N -0.748 118.626 119.600 -0.377 0.000 2.193 230 M HA -0.154 4.326 4.480 -0.001 0.000 0.265 230 M C 2.288 178.428 176.300 -0.267 0.000 1.071 230 M CA 1.455 56.511 55.300 -0.407 0.000 1.140 230 M CB -0.654 31.521 32.600 -0.709 0.000 1.369 230 M HN 0.150 nan 8.290 nan 0.000 0.423 231 R N -0.054 120.309 120.500 -0.228 0.000 2.115 231 R HA 0.044 4.384 4.340 -0.001 0.000 0.226 231 R C 1.669 177.904 176.300 -0.109 0.000 1.100 231 R CA 1.090 57.099 56.100 -0.153 0.000 0.980 231 R CB -0.095 30.128 30.300 -0.128 0.000 0.875 231 R HN 0.288 nan 8.270 nan 0.000 0.445 232 A N 0.126 122.881 122.820 -0.110 0.000 2.263 232 A HA 0.015 4.335 4.320 -0.001 0.000 0.205 232 A C 1.403 178.936 177.584 -0.085 0.000 1.226 232 A CA 0.621 52.611 52.037 -0.078 0.000 0.810 232 A CB -0.213 18.745 19.000 -0.070 0.000 0.784 232 A HN 0.334 nan 8.150 nan 0.000 0.486 233 L N -3.307 117.859 121.223 -0.096 0.000 2.717 233 L HA 0.349 4.689 4.340 -0.001 0.000 0.239 233 L C 1.712 178.561 176.870 -0.034 0.000 1.086 233 L CA 0.773 55.570 54.840 -0.072 0.000 0.897 233 L CB 0.617 42.620 42.059 -0.093 0.000 1.214 233 L HN 0.501 nan 8.230 nan 0.000 0.508 234 G N -0.025 108.750 108.800 -0.042 0.000 3.514 234 G HA2 -0.116 3.844 3.960 -0.001 0.000 0.197 234 G HA3 -0.116 3.844 3.960 -0.001 0.000 0.197 234 G C 0.193 175.076 174.900 -0.027 0.000 1.098 234 G CA -0.600 44.489 45.100 -0.019 0.000 0.884 234 G HN 0.009 nan 8.290 nan 0.000 0.433 235 I N 2.174 122.715 120.570 -0.048 0.000 2.618 235 I HA 0.292 4.462 4.170 -0.001 0.000 0.284 235 I C 1.409 177.476 176.117 -0.082 0.000 1.146 235 I CA 0.209 61.469 61.300 -0.067 0.000 1.425 235 I CB 1.129 39.053 38.000 -0.128 0.000 1.383 235 I HN 0.207 nan 8.210 nan 0.000 0.562 236 L N 3.984 125.169 121.223 -0.063 0.000 2.614 236 L HA 0.135 4.474 4.340 -0.001 0.000 0.185 236 L C 0.895 177.727 176.870 -0.064 0.000 1.098 236 L CA 0.311 55.114 54.840 -0.062 0.000 0.852 236 L CB 0.077 42.112 42.059 -0.040 0.000 1.213 236 L HN 0.520 nan 8.230 nan 0.000 0.491 237 T N 0.616 115.140 114.554 -0.050 0.000 2.932 237 T HA -0.068 4.281 4.350 -0.001 0.000 0.312 237 T C 0.514 175.180 174.700 -0.057 0.000 1.071 237 T CA -0.200 61.874 62.100 -0.043 0.000 1.128 237 T CB 0.751 69.602 68.868 -0.029 0.000 0.984 237 T HN 0.125 nan 8.240 nan 0.000 0.549 238 D N 1.983 122.352 120.400 -0.052 0.000 2.117 238 D HA -0.088 4.551 4.640 -0.001 0.000 0.197 238 D C 2.182 178.447 176.300 -0.058 0.000 0.987 238 D CA 1.161 55.120 54.000 -0.068 0.000 0.829 238 D CB -0.017 40.754 40.800 -0.048 0.000 0.961 238 D HN 0.466 nan 8.370 nan 0.000 0.460 239 R N 0.450 120.954 120.500 0.006 0.000 2.120 239 R HA -0.113 4.226 4.340 -0.001 0.000 0.234 239 R C 1.487 177.846 176.300 0.098 0.000 1.123 239 R CA 0.982 57.151 56.100 0.115 0.000 0.975 239 R CB -0.090 30.269 30.300 0.098 0.000 0.866 239 R HN 0.138 nan 8.270 nan 0.000 0.446 240 D N 0.209 120.610 120.400 0.001 0.000 2.219 240 D HA -0.060 4.580 4.640 -0.001 0.000 0.205 240 D C 1.658 177.902 176.300 -0.092 0.000 0.970 240 D CA 0.878 54.864 54.000 -0.024 0.000 0.851 240 D CB 0.116 40.893 40.800 -0.038 0.000 0.943 240 D HN 0.217 nan 8.370 nan 0.000 0.488 241 I N -0.565 119.918 120.570 -0.144 0.000 2.429 241 I HA -0.133 4.036 4.170 -0.001 0.000 0.247 241 I C 2.122 178.036 176.117 -0.338 0.000 1.099 241 I CA 0.332 61.491 61.300 -0.234 0.000 1.422 241 I CB 0.086 37.938 38.000 -0.248 0.000 1.112 241 I HN -0.131 nan 8.210 nan 0.000 0.430 242 V N 0.129 119.788 119.914 -0.426 0.000 2.358 242 V HA -0.291 3.829 4.120 -0.001 0.000 0.246 242 V C 2.133 177.884 176.094 -0.572 0.000 1.047 242 V CA 1.961 63.785 62.300 -0.793 0.000 1.035 242 V CB -0.741 30.659 31.823 -0.705 0.000 0.658 242 V HN 0.342 nan 8.190 nan 0.000 0.452 243 Y N 0.136 120.307 120.300 -0.214 0.000 2.457 243 Y HA 0.127 4.676 4.550 -0.001 0.000 0.292 243 Y C 2.411 178.281 175.900 -0.051 0.000 1.125 243 Y CA 0.766 58.805 58.100 -0.100 0.000 1.254 243 Y CB -0.517 37.904 38.460 -0.065 0.000 1.012 243 Y HN 0.175 nan 8.280 nan 0.000 0.555 244 A N -0.504 122.327 122.820 0.018 0.000 1.969 244 A HA -0.115 4.205 4.320 -0.001 0.000 0.218 244 A C 2.293 179.902 177.584 0.042 0.000 1.169 244 A CA 1.742 53.775 52.037 -0.006 0.000 0.635 244 A CB -1.000 17.818 19.000 -0.303 0.000 0.810 244 A HN 0.236 nan 8.150 nan 0.000 0.445 245 V N 0.098 119.994 119.914 -0.030 0.000 2.270 245 V HA -0.035 4.085 4.120 -0.001 0.000 0.245 245 V C 1.046 177.235 176.094 0.159 0.000 1.043 245 V CA 1.729 64.070 62.300 0.069 0.000 1.014 245 V CB -0.709 31.124 31.823 0.017 0.000 0.645 245 V HN 0.776 nan 8.190 nan 0.000 0.447 246 S N -1.523 114.238 115.700 0.101 0.000 2.548 246 S HA 0.553 5.022 4.470 -0.001 0.000 0.278 246 S C -1.183 173.478 174.600 0.102 0.000 1.150 246 S CA -0.750 57.549 58.200 0.164 0.000 0.907 246 S CB 1.195 64.510 63.200 0.190 0.000 1.108 246 S HN 0.110 nan 8.310 nan 0.000 0.459 247 L N 2.601 123.915 121.223 0.152 0.000 2.360 247 L HA 0.303 4.642 4.340 -0.001 0.000 0.276 247 L C -0.294 176.686 176.870 0.184 0.000 1.121 247 L CA -0.165 54.767 54.840 0.153 0.000 0.845 247 L CB -0.089 41.988 42.059 0.031 0.000 1.143 247 L HN 0.787 nan 8.230 nan 0.000 0.452 248 D N 3.175 123.687 120.400 0.187 0.000 2.894 248 D HA -0.169 4.471 4.640 -0.001 0.000 0.216 248 D C -1.695 174.691 176.300 0.143 0.000 1.245 248 D CA 0.213 54.317 54.000 0.174 0.000 0.728 248 D CB -0.330 40.602 40.800 0.219 0.000 0.924 248 D HN 0.423 nan 8.370 nan 0.000 0.395 249 P HA -0.066 nan 4.420 nan 0.000 0.224 249 P C 1.119 178.464 177.300 0.075 0.000 1.157 249 P CA 0.999 64.157 63.100 0.098 0.000 0.799 249 P CB 0.441 32.206 31.700 0.108 0.000 0.809 250 E N -0.794 119.442 120.200 0.060 0.000 3.979 250 E HA -0.334 4.015 4.350 -0.001 0.000 0.208 250 E C 1.356 177.976 176.600 0.033 0.000 1.230 250 E CA 2.012 58.443 56.400 0.051 0.000 2.178 250 E CB -1.946 27.789 29.700 0.059 0.000 1.846 250 E HN 0.124 nan 8.360 nan 0.000 0.311 251 I N 1.686 122.273 120.570 0.028 0.000 2.454 251 I HA -0.245 3.924 4.170 -0.001 0.000 0.254 251 I C 2.619 178.716 176.117 -0.034 0.000 1.156 251 I CA 1.889 63.191 61.300 0.004 0.000 1.433 251 I CB -0.422 37.585 38.000 0.013 0.000 1.082 251 I HN 0.325 nan 8.210 nan 0.000 0.432 252 Q N -0.071 119.722 119.800 -0.011 0.000 2.259 252 Q HA -0.014 4.326 4.340 -0.001 0.000 0.201 252 Q C 1.873 177.893 176.000 0.034 0.000 0.938 252 Q CA 0.495 56.260 55.803 -0.063 0.000 0.872 252 Q CB -0.183 28.573 28.738 0.029 0.000 0.971 252 Q HN 0.340 nan 8.270 nan 0.000 0.494 253 N N 1.760 120.555 118.700 0.157 0.000 2.060 253 N HA -0.243 4.497 4.740 -0.001 0.000 0.195 253 N C 1.597 177.223 175.510 0.194 0.000 1.028 253 N CA 1.515 54.698 53.050 0.222 0.000 0.861 253 N CB -0.185 38.309 38.487 0.011 0.000 1.029 253 N HN 0.337 nan 8.380 nan 0.000 0.428 254 E N 0.395 120.618 120.200 0.038 0.000 2.160 254 E HA -0.147 4.203 4.350 -0.001 0.000 0.195 254 E C 0.584 177.126 176.600 -0.096 0.000 0.991 254 E CA 0.589 56.983 56.400 -0.011 0.000 0.810 254 E CB -0.103 29.581 29.700 -0.028 0.000 0.742 254 E HN 0.359 nan 8.360 nan 0.000 0.466 255 L N 1.145 122.214 121.223 -0.257 0.000 2.873 255 L HA 0.062 4.402 4.340 -0.001 0.000 0.252 255 L C 0.260 176.631 176.870 -0.831 0.000 1.266 255 L CA -0.040 54.507 54.840 -0.489 0.000 1.111 255 L CB -0.162 41.568 42.059 -0.548 0.000 1.440 255 L HN 0.120 nan 8.230 nan 0.000 0.427 256 F N -1.581 118.274 119.950 -0.158 0.000 2.244 256 F HA 0.187 4.713 4.527 -0.001 0.000 0.272 256 F C -0.900 174.834 175.800 -0.110 0.000 0.882 256 F CA -0.012 57.892 58.000 -0.160 0.000 1.101 256 F CB -1.086 37.829 39.000 -0.142 0.000 1.097 256 F HN -0.074 nan 8.300 nan 0.000 0.762 257 P HA -0.074 nan 4.420 nan 0.000 0.229 257 P C 0.655 177.955 177.300 0.000 0.000 1.150 257 P CA 1.471 64.594 63.100 0.038 0.000 0.765 257 P CB -0.286 31.433 31.700 0.031 0.000 0.783 258 S N -1.470 114.212 115.700 -0.030 0.000 2.537 258 S HA 0.276 4.746 4.470 -0.001 0.000 0.246 258 S C 0.723 175.291 174.600 -0.053 0.000 1.036 258 S CA -0.389 57.783 58.200 -0.046 0.000 1.041 258 S CB -0.223 62.936 63.200 -0.068 0.000 0.799 258 S HN -0.089 nan 8.310 nan 0.000 0.456 259 L N 0.588 121.789 121.223 -0.037 0.000 3.635 259 L HA 0.383 4.723 4.340 -0.001 0.000 0.338 259 L C 0.286 177.150 176.870 -0.009 0.000 1.275 259 L CA 0.395 55.216 54.840 -0.031 0.000 1.092 259 L CB -0.126 41.881 42.059 -0.085 0.000 1.465 259 L HN 0.397 nan 8.230 nan 0.000 0.625 260 E N 0.688 120.882 120.200 -0.009 0.000 2.467 260 E HA -0.034 4.315 4.350 -0.001 0.000 0.321 260 E C 1.048 177.632 176.600 -0.027 0.000 1.388 260 E CA -0.065 56.324 56.400 -0.019 0.000 1.508 260 E CB 0.212 29.902 29.700 -0.017 0.000 1.250 260 E HN 0.337 nan 8.360 nan 0.000 0.500 261 Q N 0.662 120.446 119.800 -0.027 0.000 2.311 261 Q HA 0.005 4.345 4.340 -0.001 0.000 0.203 261 Q C 0.614 176.585 176.000 -0.048 0.000 0.954 261 Q CA 0.338 56.124 55.803 -0.029 0.000 0.885 261 Q CB 0.312 29.037 28.738 -0.020 0.000 0.963 261 Q HN 0.299 nan 8.270 nan 0.000 0.471 262 A N 0.366 123.148 122.820 -0.063 0.000 3.056 262 A HA 0.158 4.478 4.320 -0.001 0.000 0.274 262 A C 0.925 178.452 177.584 -0.095 0.000 1.661 262 A CA 0.001 51.978 52.037 -0.101 0.000 1.363 262 A CB -0.033 18.901 19.000 -0.110 0.000 1.139 262 A HN 0.255 nan 8.150 nan 0.000 0.598 263 S N 0.434 116.083 115.700 -0.084 0.000 2.436 263 S HA -0.076 4.393 4.470 -0.001 0.000 0.228 263 S C 1.900 176.455 174.600 -0.075 0.000 1.014 263 S CA 1.900 60.061 58.200 -0.066 0.000 0.950 263 S CB -0.021 63.150 63.200 -0.048 0.000 0.784 263 S HN 0.658 nan 8.310 nan 0.000 0.504 264 S N 1.116 116.748 115.700 -0.113 0.000 2.458 264 S HA 0.287 4.756 4.470 -0.001 0.000 0.223 264 S C 0.546 175.077 174.600 -0.116 0.000 1.019 264 S CA -0.002 58.130 58.200 -0.112 0.000 0.937 264 S CB -0.040 63.068 63.200 -0.154 0.000 0.788 264 S HN 0.410 nan 8.310 nan 0.000 0.511 265 I N 1.704 122.178 120.570 -0.160 0.000 2.496 265 I HA 0.331 4.500 4.170 -0.001 0.000 0.285 265 I C 0.951 177.031 176.117 -0.061 0.000 1.080 265 I CA -0.058 61.174 61.300 -0.114 0.000 1.404 265 I CB 0.669 38.581 38.000 -0.146 0.000 1.403 265 I HN 0.133 nan 8.210 nan 0.000 0.539 266 A N 5.725 128.530 122.820 -0.026 0.000 1.757 266 A HA 0.222 4.542 4.320 -0.001 0.000 0.205 266 A C 0.694 178.270 177.584 -0.013 0.000 1.791 266 A CA -0.141 51.882 52.037 -0.023 0.000 1.282 266 A CB 0.160 19.151 19.000 -0.015 0.000 1.297 266 A HN 0.622 nan 8.150 nan 0.000 0.422 267 N N 0.438 119.142 118.700 0.006 0.000 2.515 267 N HA 0.330 5.069 4.740 -0.001 0.000 0.279 267 N C 1.239 176.754 175.510 0.008 0.000 1.164 267 N CA 0.102 53.157 53.050 0.008 0.000 0.982 267 N CB 1.671 40.170 38.487 0.020 0.000 1.170 267 N HN -0.015 nan 8.380 nan 0.000 0.474 268 V N 0.775 120.688 119.914 -0.000 0.000 2.515 268 V HA -0.177 3.943 4.120 -0.001 0.000 0.250 268 V C 1.294 177.394 176.094 0.010 0.000 1.058 268 V CA 1.473 63.769 62.300 -0.005 0.000 1.064 268 V CB -0.325 31.491 31.823 -0.011 0.000 0.675 268 V HN 0.556 nan 8.190 nan 0.000 0.461 269 D N 0.297 120.707 120.400 0.017 0.000 2.183 269 D HA -0.135 4.505 4.640 -0.001 0.000 0.203 269 D C 1.768 178.094 176.300 0.043 0.000 0.969 269 D CA 1.253 55.266 54.000 0.021 0.000 0.842 269 D CB -0.245 40.564 40.800 0.015 0.000 0.957 269 D HN 0.418 nan 8.370 nan 0.000 0.484 270 D N 0.875 121.319 120.400 0.074 0.000 2.219 270 D HA -0.055 4.584 4.640 -0.001 0.000 0.205 270 D C 2.022 178.467 176.300 0.242 0.000 0.970 270 D CA 0.794 54.891 54.000 0.161 0.000 0.851 270 D CB -0.164 40.754 40.800 0.197 0.000 0.943 270 D HN 0.132 nan 8.370 nan 0.000 0.488 271 A N 0.693 123.594 122.820 0.135 0.000 1.873 271 A HA -0.073 4.246 4.320 -0.001 0.000 0.215 271 A C 2.265 179.912 177.584 0.104 0.000 1.186 271 A CA 0.738 52.844 52.037 0.114 0.000 0.616 271 A CB -0.796 18.215 19.000 0.018 0.000 0.823 271 A HN 0.199 nan 8.150 nan 0.000 0.442 272 L N -0.267 120.988 121.223 0.053 0.000 2.353 272 L HA -0.168 4.171 4.340 -0.001 0.000 0.220 272 L C 2.160 179.050 176.870 0.032 0.000 1.133 272 L CA 1.411 56.271 54.840 0.033 0.000 0.798 272 L CB -0.464 41.604 42.059 0.015 0.000 0.922 272 L HN 0.489 nan 8.230 nan 0.000 0.445 273 D N 0.213 120.630 120.400 0.029 0.000 2.120 273 D HA -0.170 4.469 4.640 -0.001 0.000 0.202 273 D C 1.818 178.043 176.300 -0.125 0.000 0.972 273 D CA 1.275 55.227 54.000 -0.079 0.000 0.837 273 D CB -0.042 40.656 40.800 -0.170 0.000 0.989 273 D HN 0.218 nan 8.370 nan 0.000 0.469 274 F N 0.048 120.001 119.950 0.006 0.000 2.771 274 F HA 0.206 4.733 4.527 -0.001 0.000 0.299 274 F C 1.872 177.684 175.800 0.020 0.000 1.177 274 F CA 0.273 58.281 58.000 0.013 0.000 1.450 274 F CB 0.006 39.013 39.000 0.012 0.000 1.114 274 F HN 0.063 nan 8.300 nan 0.000 0.587 275 I N -1.220 119.436 120.570 0.143 0.000 2.867 275 I HA 0.009 4.179 4.170 -0.001 0.000 0.265 275 I C 2.588 178.740 176.117 0.058 0.000 1.162 275 I CA 0.769 62.127 61.300 0.098 0.000 1.471 275 I CB -0.583 37.462 38.000 0.075 0.000 1.123 275 I HN 0.093 nan 8.210 nan 0.000 0.440 276 G N 0.506 109.317 108.800 0.019 0.000 2.534 276 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.217 276 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.217 276 G C 1.701 176.587 174.900 -0.024 0.000 1.128 276 G CA 0.895 45.991 45.100 -0.007 0.000 0.784 276 G HN 0.481 nan 8.290 nan 0.000 0.542 277 S N -0.001 115.678 115.700 -0.036 0.000 2.489 277 S HA 0.110 4.579 4.470 -0.001 0.000 0.228 277 S C 2.141 176.744 174.600 0.005 0.000 0.995 277 S CA 0.141 58.319 58.200 -0.036 0.000 0.934 277 S CB -0.001 63.163 63.200 -0.060 0.000 0.771 277 S HN 0.236 nan 8.310 nan 0.000 0.522 278 R N 0.781 121.298 120.500 0.029 0.000 2.112 278 R HA 0.238 4.577 4.340 -0.001 0.000 0.216 278 R C 2.205 178.519 176.300 0.022 0.000 1.080 278 R CA 0.941 57.064 56.100 0.037 0.000 0.996 278 R CB -0.886 29.452 30.300 0.065 0.000 0.902 278 R HN 0.441 nan 8.270 nan 0.000 0.449 279 V N 0.836 120.763 119.914 0.020 0.000 2.346 279 V HA 0.060 4.179 4.120 -0.001 0.000 0.244 279 V C 1.060 177.153 176.094 -0.002 0.000 1.037 279 V CA 1.399 63.705 62.300 0.009 0.000 1.029 279 V CB -0.378 31.456 31.823 0.018 0.000 0.663 279 V HN 0.238 nan 8.190 nan 0.000 0.454 280 A N 0.024 122.841 122.820 -0.004 0.000 2.385 280 A HA 0.734 5.053 4.320 -0.001 0.000 0.290 280 A C -0.786 176.790 177.584 -0.014 0.000 1.094 280 A CA -0.412 51.619 52.037 -0.009 0.000 0.729 280 A CB 0.828 19.823 19.000 -0.008 0.000 1.194 280 A HN 0.297 nan 8.150 nan 0.000 0.442 281 I N 3.762 124.324 120.570 -0.012 0.000 2.316 281 I HA 0.470 4.640 4.170 -0.001 0.000 0.286 281 I C 0.951 177.060 176.117 -0.014 0.000 1.107 281 I CA 0.109 61.400 61.300 -0.014 0.000 1.219 281 I CB 0.722 38.717 38.000 -0.008 0.000 1.455 281 I HN 0.726 nan 8.210 nan 0.000 0.498 282 G N 4.066 112.855 108.800 -0.019 0.000 3.392 282 G HA2 0.339 4.299 3.960 -0.001 0.000 0.185 282 G HA3 0.339 4.299 3.960 -0.001 0.000 0.185 282 G C 0.282 175.170 174.900 -0.020 0.000 1.206 282 G CA 0.086 45.176 45.100 -0.017 0.000 0.776 282 G HN 0.534 nan 8.290 nan 0.000 0.697 283 Q N -1.268 118.520 119.800 -0.020 0.000 2.167 283 Q HA 0.311 4.651 4.340 -0.001 0.000 0.251 283 Q C -0.064 175.921 176.000 -0.024 0.000 0.768 283 Q CA -0.198 55.592 55.803 -0.022 0.000 0.944 283 Q CB 0.471 29.200 28.738 -0.015 0.000 1.179 283 Q HN 0.227 nan 8.270 nan 0.000 0.478 284 K N 2.145 122.532 120.400 -0.022 0.000 2.278 284 K HA 0.189 4.509 4.320 -0.001 0.000 0.289 284 K C 0.573 177.155 176.600 -0.029 0.000 1.080 284 K CA -0.281 55.993 56.287 -0.021 0.000 0.934 284 K CB 0.848 33.339 32.500 -0.015 0.000 1.093 284 K HN 0.105 nan 8.250 nan 0.000 0.459 285 R N 2.691 123.170 120.500 -0.034 0.000 2.096 285 R HA -0.170 4.170 4.340 -0.001 0.000 0.235 285 R C 0.682 176.959 176.300 -0.038 0.000 1.127 285 R CA 1.774 57.846 56.100 -0.048 0.000 0.968 285 R CB 0.288 30.558 30.300 -0.050 0.000 0.861 285 R HN 0.568 nan 8.270 nan 0.000 0.440 286 E N 0.087 120.272 120.200 -0.025 0.000 2.106 286 E HA -0.109 4.241 4.350 -0.001 0.000 0.192 286 E C 1.686 178.278 176.600 -0.012 0.000 0.984 286 E CA 1.489 57.879 56.400 -0.016 0.000 0.806 286 E CB -0.186 29.508 29.700 -0.010 0.000 0.750 286 E HN 0.423 nan 8.360 nan 0.000 0.458 287 N N -0.195 118.497 118.700 -0.012 0.000 2.396 287 N HA -0.039 4.701 4.740 -0.001 0.000 0.180 287 N C 1.471 176.976 175.510 -0.009 0.000 1.028 287 N CA 0.515 53.561 53.050 -0.007 0.000 0.893 287 N CB 0.110 38.594 38.487 -0.006 0.000 0.967 287 N HN -0.005 nan 8.380 nan 0.000 0.440 288 R N 0.240 120.728 120.500 -0.020 0.000 2.092 288 R HA 0.056 4.396 4.340 -0.001 0.000 0.231 288 R C 1.690 177.979 176.300 -0.018 0.000 1.119 288 R CA 0.937 57.022 56.100 -0.026 0.000 0.970 288 R CB -0.159 30.110 30.300 -0.052 0.000 0.864 288 R HN 0.277 nan 8.270 nan 0.000 0.440 289 I N 0.379 120.937 120.570 -0.018 0.000 2.439 289 I HA -0.181 3.989 4.170 -0.001 0.000 0.251 289 I C 1.935 178.055 176.117 0.006 0.000 1.139 289 I CA 1.134 62.430 61.300 -0.007 0.000 1.438 289 I CB -0.246 37.749 38.000 -0.008 0.000 1.085 289 I HN 0.180 nan 8.210 nan 0.000 0.427 290 E N 1.096 121.300 120.200 0.006 0.000 2.051 290 E HA -0.243 4.106 4.350 -0.001 0.000 0.192 290 E C 2.114 178.729 176.600 0.026 0.000 0.991 290 E CA 1.145 57.554 56.400 0.015 0.000 0.799 290 E CB -0.005 29.702 29.700 0.012 0.000 0.748 290 E HN 0.365 nan 8.360 nan 0.000 0.449 291 K N 0.192 120.607 120.400 0.023 0.000 2.262 291 K HA 0.079 4.398 4.320 -0.001 0.000 0.200 291 K C 1.316 177.943 176.600 0.045 0.000 1.049 291 K CA 0.492 56.799 56.287 0.034 0.000 0.979 291 K CB 0.242 32.756 32.500 0.023 0.000 0.773 291 K HN -0.033 nan 8.250 nan 0.000 0.474 292 A N 1.059 123.901 122.820 0.036 0.000 2.324 292 A HA 0.009 4.329 4.320 -0.001 0.000 0.240 292 A C 0.898 178.511 177.584 0.049 0.000 1.347 292 A CA 0.315 52.380 52.037 0.046 0.000 1.036 292 A CB -0.146 18.873 19.000 0.032 0.000 0.917 292 A HN 0.384 nan 8.150 nan 0.000 0.519 293 Q N -2.186 117.649 119.800 0.058 0.000 2.546 293 Q HA 0.060 4.399 4.340 -0.001 0.000 0.226 293 Q C 1.390 177.442 176.000 0.085 0.000 0.769 293 Q CA 0.133 55.970 55.803 0.057 0.000 0.954 293 Q CB 0.259 29.021 28.738 0.040 0.000 1.319 293 Q HN 0.712 nan 8.270 nan 0.000 0.534 294 Q N 0.287 120.143 119.800 0.092 0.000 2.403 294 Q HA 0.111 4.450 4.340 -0.001 0.000 0.203 294 Q C 1.495 177.603 176.000 0.180 0.000 0.932 294 Q CA 0.225 56.097 55.803 0.115 0.000 0.945 294 Q CB 0.640 29.432 28.738 0.090 0.000 1.045 294 Q HN 0.284 nan 8.270 nan 0.000 0.511 295 I N 0.090 120.774 120.570 0.190 0.000 2.339 295 I HA -0.165 4.004 4.170 -0.001 0.000 0.245 295 I C 2.056 178.402 176.117 0.382 0.000 1.096 295 I CA 1.129 62.595 61.300 0.276 0.000 1.408 295 I CB -0.607 37.483 38.000 0.151 0.000 1.092 295 I HN 0.254 nan 8.210 nan 0.000 0.423 296 I N 1.077 121.811 120.570 0.275 0.000 2.194 296 I HA -0.333 3.837 4.170 -0.001 0.000 0.246 296 I C 2.075 178.349 176.117 0.262 0.000 1.093 296 I CA 1.495 62.950 61.300 0.258 0.000 1.355 296 I CB -0.372 37.683 38.000 0.090 0.000 1.046 296 I HN 0.211 nan 8.210 nan 0.000 0.413 297 D N 0.849 121.366 120.400 0.196 0.000 2.178 297 D HA -0.155 4.484 4.640 -0.001 0.000 0.202 297 D C 1.840 178.230 176.300 0.152 0.000 0.974 297 D CA 1.254 55.343 54.000 0.149 0.000 0.841 297 D CB -0.025 40.838 40.800 0.104 0.000 0.953 297 D HN 0.518 nan 8.370 nan 0.000 0.478 298 K N -1.745 118.768 120.400 0.188 0.000 2.438 298 K HA 0.114 4.433 4.320 -0.001 0.000 0.205 298 K C 0.530 177.114 176.600 -0.026 0.000 1.033 298 K CA -0.025 56.306 56.287 0.073 0.000 1.089 298 K CB 0.360 32.869 32.500 0.015 0.000 0.857 298 K HN 0.040 nan 8.250 nan 0.000 0.522 299 Y N -0.616 119.828 120.300 0.240 0.000 2.723 299 Y HA 0.286 4.835 4.550 -0.001 0.000 0.272 299 Y C -0.149 176.057 175.900 0.510 0.000 1.142 299 Y CA -0.832 57.460 58.100 0.320 0.000 1.217 299 Y CB 0.689 39.339 38.460 0.317 0.000 1.391 299 Y HN 0.018 nan 8.280 nan 0.000 0.479 300 F N 2.707 122.967 119.950 0.517 0.000 2.434 300 F HA 0.336 4.862 4.527 -0.001 0.000 0.358 300 F C 0.259 176.152 175.800 0.156 0.000 1.136 300 F CA -0.669 57.468 58.000 0.227 0.000 1.157 300 F CB -0.074 38.826 39.000 -0.167 0.000 1.167 300 F HN 0.014 nan 8.300 nan 0.000 0.539 301 L N 7.240 128.395 121.223 -0.112 0.000 3.713 301 L HA -0.205 4.135 4.340 -0.001 0.000 0.499 301 L C -1.895 175.082 176.870 0.177 0.000 1.281 301 L CA -0.262 54.653 54.840 0.125 0.000 0.796 301 L CB -0.899 41.235 42.059 0.125 0.000 1.535 301 L HN 0.498 nan 8.230 nan 0.000 0.851 302 P HA -0.034 nan 4.420 nan 0.000 0.255 302 P C 0.821 178.163 177.300 0.071 0.000 1.357 302 P CA 0.739 63.894 63.100 0.091 0.000 0.839 302 P CB -0.241 31.497 31.700 0.064 0.000 1.356 303 H N -2.672 116.372 119.070 -0.043 0.000 2.539 303 H HA 0.303 4.859 4.556 -0.001 0.000 0.267 303 H C 1.295 176.587 175.328 -0.060 0.000 0.982 303 H CA -0.034 55.982 56.048 -0.053 0.000 1.146 303 H CB -0.454 29.263 29.762 -0.075 0.000 1.382 303 H HN 0.070 nan 8.280 nan 0.000 0.577 304 L N -0.510 120.453 121.223 -0.433 0.000 2.600 304 L HA 0.469 4.809 4.340 -0.001 0.000 0.213 304 L C 0.861 177.645 176.870 -0.143 0.000 1.045 304 L CA 0.390 54.999 54.840 -0.385 0.000 0.863 304 L CB 0.982 42.747 42.059 -0.489 0.000 1.189 304 L HN 0.426 nan 8.230 nan 0.000 0.484 305 G N -1.627 107.127 108.800 -0.077 0.000 2.755 305 G HA2 0.416 4.376 3.960 -0.001 0.000 0.297 305 G HA3 0.416 4.376 3.960 -0.001 0.000 0.297 305 G C -0.379 174.529 174.900 0.013 0.000 1.441 305 G CA -0.099 44.990 45.100 -0.019 0.000 0.964 305 G HN -0.213 nan 8.290 nan 0.000 0.540 306 T N 0.368 114.931 114.554 0.016 0.000 3.023 306 T HA 0.174 4.524 4.350 -0.001 0.000 0.249 306 T C 1.671 176.393 174.700 0.036 0.000 1.050 306 T CA 0.875 62.991 62.100 0.026 0.000 1.088 306 T CB 0.032 68.909 68.868 0.014 0.000 0.946 306 T HN 0.872 nan 8.240 nan 0.000 0.480 307 S N 1.058 116.775 115.700 0.028 0.000 2.632 307 S HA 0.662 5.131 4.470 -0.001 0.000 0.271 307 S C 1.536 176.157 174.600 0.034 0.000 1.260 307 S CA -0.329 57.889 58.200 0.030 0.000 1.010 307 S CB 1.426 64.639 63.200 0.022 0.000 0.965 307 S HN 0.226 nan 8.310 nan 0.000 0.534 308 A N 0.570 123.410 122.820 0.035 0.000 2.121 308 A HA 0.015 4.335 4.320 -0.001 0.000 0.218 308 A C 0.973 178.575 177.584 0.030 0.000 1.154 308 A CA 1.025 53.083 52.037 0.035 0.000 0.679 308 A CB -0.749 18.270 19.000 0.032 0.000 0.795 308 A HN 0.805 nan 8.150 nan 0.000 0.458 309 D N 0.592 121.006 120.400 0.024 0.000 2.400 309 D HA 0.079 4.719 4.640 -0.001 0.000 0.243 309 D C -0.094 176.220 176.300 0.023 0.000 1.184 309 D CA 0.376 54.389 54.000 0.021 0.000 0.853 309 D CB 0.106 40.914 40.800 0.014 0.000 0.944 309 D HN 0.382 nan 8.370 nan 0.000 0.501 310 D N -0.790 119.628 120.400 0.030 0.000 2.582 310 D HA 0.114 4.753 4.640 -0.001 0.000 0.246 310 D C 1.598 177.930 176.300 0.054 0.000 1.334 310 D CA -0.147 53.874 54.000 0.034 0.000 0.805 310 D CB 0.726 41.539 40.800 0.022 0.000 1.087 310 D HN 0.100 nan 8.370 nan 0.000 0.499 311 R N 0.490 121.021 120.500 0.052 0.000 2.062 311 R HA 0.094 4.433 4.340 -0.001 0.000 0.229 311 R C 2.204 178.551 176.300 0.080 0.000 1.128 311 R CA 0.721 56.852 56.100 0.052 0.000 0.960 311 R CB 0.214 30.531 30.300 0.029 0.000 0.855 311 R HN -0.034 nan 8.270 nan 0.000 0.432 312 R N 0.879 121.436 120.500 0.096 0.000 2.115 312 R HA -0.078 4.261 4.340 -0.001 0.000 0.230 312 R C 1.853 178.299 176.300 0.243 0.000 1.111 312 R CA 1.218 57.422 56.100 0.174 0.000 0.976 312 R CB 0.009 30.407 30.300 0.164 0.000 0.870 312 R HN 0.160 nan 8.270 nan 0.000 0.445 313 K N 0.606 121.092 120.400 0.143 0.000 2.439 313 K HA -0.114 4.206 4.320 -0.001 0.000 0.197 313 K C 1.630 178.337 176.600 0.177 0.000 1.041 313 K CA 1.074 57.436 56.287 0.125 0.000 0.970 313 K CB 0.196 32.725 32.500 0.049 0.000 0.773 313 K HN 0.231 nan 8.250 nan 0.000 0.479 314 K N -1.495 119.018 120.400 0.189 0.000 2.402 314 K HA 0.275 4.594 4.320 -0.001 0.000 0.203 314 K C 1.688 178.481 176.600 0.322 0.000 1.077 314 K CA 0.347 56.782 56.287 0.246 0.000 1.051 314 K CB 0.650 33.248 32.500 0.165 0.000 0.907 314 K HN -0.072 nan 8.250 nan 0.000 0.554 315 A N 0.777 123.742 122.820 0.241 0.000 2.016 315 A HA -0.005 4.315 4.320 -0.001 0.000 0.217 315 A C 1.373 179.067 177.584 0.183 0.000 1.162 315 A CA 0.657 52.787 52.037 0.156 0.000 0.662 315 A CB -0.654 18.368 19.000 0.036 0.000 0.812 315 A HN 0.346 nan 8.150 nan 0.000 0.450 316 Y N -2.459 117.951 120.300 0.184 0.000 2.439 316 Y HA -0.123 4.427 4.550 -0.001 0.000 0.292 316 Y C 2.088 178.149 175.900 0.269 0.000 1.130 316 Y CA 1.414 59.630 58.100 0.192 0.000 1.254 316 Y CB -0.305 38.244 38.460 0.148 0.000 1.000 316 Y HN 0.514 nan 8.280 nan 0.000 0.554 317 Y N -0.587 119.918 120.300 0.341 0.000 2.263 317 Y HA -0.179 4.371 4.550 -0.001 0.000 0.292 317 Y C 2.229 178.343 175.900 0.357 0.000 1.130 317 Y CA 1.140 59.449 58.100 0.348 0.000 1.179 317 Y CB -0.209 38.434 38.460 0.305 0.000 0.998 317 Y HN 0.067 nan 8.280 nan 0.000 0.532 318 L N -0.843 120.669 121.223 0.480 0.000 2.141 318 L HA -0.159 4.180 4.340 -0.001 0.000 0.209 318 L C 2.454 179.529 176.870 0.342 0.000 1.094 318 L CA 1.240 56.343 54.840 0.439 0.000 0.763 318 L CB -0.524 41.836 42.059 0.501 0.000 0.908 318 L HN 0.352 nan 8.230 nan 0.000 0.437 319 A N -0.843 122.165 122.820 0.312 0.000 1.898 319 A HA -0.305 4.015 4.320 -0.001 0.000 0.216 319 A C 2.085 179.789 177.584 0.199 0.000 1.181 319 A CA 1.530 53.725 52.037 0.263 0.000 0.620 319 A CB -0.913 18.179 19.000 0.152 0.000 0.819 319 A HN 0.555 nan 8.150 nan 0.000 0.442 320 Y N 0.788 121.129 120.300 0.069 0.000 2.293 320 Y HA 0.017 4.567 4.550 -0.001 0.000 0.291 320 Y C 2.455 178.322 175.900 -0.055 0.000 1.137 320 Y CA 0.731 58.829 58.100 -0.002 0.000 1.202 320 Y CB -0.480 37.933 38.460 -0.078 0.000 0.990 320 Y HN 0.289 nan 8.280 nan 0.000 0.537 321 A N 0.078 122.786 122.820 -0.187 0.000 2.015 321 A HA -0.106 4.214 4.320 -0.001 0.000 0.219 321 A C 2.060 179.549 177.584 -0.159 0.000 1.163 321 A CA 1.633 53.540 52.037 -0.216 0.000 0.646 321 A CB -0.747 18.259 19.000 0.010 0.000 0.806 321 A HN 0.468 nan 8.150 nan 0.000 0.448 322 I N 0.535 121.047 120.570 -0.096 0.000 2.584 322 I HA -0.103 4.066 4.170 -0.001 0.000 0.255 322 I C 2.463 178.543 176.117 -0.062 0.000 1.145 322 I CA 1.670 62.914 61.300 -0.092 0.000 1.462 322 I CB -1.164 36.721 38.000 -0.191 0.000 1.102 322 I HN 0.482 nan 8.210 nan 0.000 0.433 323 S N 0.282 115.949 115.700 -0.056 0.000 2.595 323 S HA -0.051 4.419 4.470 -0.001 0.000 0.235 323 S C 1.609 176.159 174.600 -0.084 0.000 0.974 323 S CA 0.580 58.774 58.200 -0.011 0.000 0.942 323 S CB -0.142 63.116 63.200 0.096 0.000 0.766 323 S HN 0.360 nan 8.310 nan 0.000 0.536 324 K N 0.591 120.889 120.400 -0.170 0.000 2.244 324 K HA 0.228 4.547 4.320 -0.001 0.000 0.200 324 K C 1.972 178.530 176.600 -0.070 0.000 1.052 324 K CA 0.848 57.053 56.287 -0.138 0.000 0.980 324 K CB -0.249 32.128 32.500 -0.205 0.000 0.838 324 K HN 0.347 nan 8.250 nan 0.000 0.481 325 V N 2.902 122.779 119.914 -0.061 0.000 2.407 325 V HA -0.173 3.946 4.120 -0.001 0.000 0.245 325 V C 2.369 178.432 176.094 -0.052 0.000 1.041 325 V CA 1.461 63.740 62.300 -0.034 0.000 1.040 325 V CB -0.630 31.178 31.823 -0.026 0.000 0.671 325 V HN 0.276 nan 8.190 nan 0.000 0.455 326 I N -1.203 119.345 120.570 -0.037 0.000 2.676 326 I HA -0.097 4.073 4.170 -0.001 0.000 0.259 326 I C 2.188 178.280 176.117 -0.042 0.000 1.194 326 I CA 1.585 62.852 61.300 -0.054 0.000 1.473 326 I CB -0.532 37.406 38.000 -0.102 0.000 1.096 326 I HN 0.271 nan 8.210 nan 0.000 0.443 327 E N 0.883 121.063 120.200 -0.033 0.000 2.347 327 E HA -0.137 4.213 4.350 -0.001 0.000 0.196 327 E C 1.977 178.545 176.600 -0.053 0.000 1.008 327 E CA 0.545 56.931 56.400 -0.024 0.000 0.852 327 E CB 0.147 29.846 29.700 -0.001 0.000 0.783 327 E HN 0.511 nan 8.360 nan 0.000 0.505 328 L N -0.637 120.546 121.223 -0.066 0.000 2.253 328 L HA 0.002 4.342 4.340 -0.001 0.000 0.205 328 L C 1.835 178.585 176.870 -0.199 0.000 1.078 328 L CA 1.121 55.913 54.840 -0.080 0.000 0.805 328 L CB -0.404 41.661 42.059 0.010 0.000 0.963 328 L HN 0.134 nan 8.230 nan 0.000 0.459 329 Y N 0.129 120.155 120.300 -0.458 0.000 2.165 329 Y HA -0.145 4.404 4.550 -0.001 0.000 0.286 329 Y C 1.022 176.769 175.900 -0.255 0.000 1.155 329 Y CA 1.276 59.053 58.100 -0.540 0.000 1.164 329 Y CB 0.062 38.252 38.460 -0.451 0.000 0.978 329 Y HN 0.049 nan 8.280 nan 0.000 0.513 330 L N 1.497 122.711 121.223 -0.015 0.000 2.363 330 L HA 0.234 4.574 4.340 -0.001 0.000 0.286 330 L C 0.716 177.485 176.870 -0.168 0.000 1.106 330 L CA -0.411 54.389 54.840 -0.065 0.000 0.859 330 L CB -0.054 41.986 42.059 -0.032 0.000 1.223 330 L HN 0.268 nan 8.230 nan 0.000 0.446 331 G N 5.083 113.752 108.800 -0.217 0.000 2.388 331 G HA2 -0.117 3.842 3.960 -0.001 0.000 0.289 331 G HA3 -0.117 3.842 3.960 -0.001 0.000 0.289 331 G C 0.755 175.368 174.900 -0.478 0.000 0.791 331 G CA 0.009 44.940 45.100 -0.282 0.000 1.619 331 G HN 0.759 nan 8.290 nan 0.000 0.375 332 R N 1.416 121.714 120.500 -0.337 0.000 2.562 332 R HA 0.119 4.458 4.340 -0.001 0.000 0.191 332 R C 2.134 178.373 176.300 -0.101 0.000 0.835 332 R CA -0.017 55.883 56.100 -0.334 0.000 1.036 332 R CB 0.262 30.481 30.300 -0.134 0.000 1.437 332 R HN 0.462 nan 8.270 nan 0.000 0.654 333 R N 1.120 121.585 120.500 -0.058 0.000 2.121 333 R HA 0.122 4.462 4.340 -0.001 0.000 0.206 333 R C -0.061 176.240 176.300 0.000 0.000 1.094 333 R CA 0.130 56.230 56.100 0.001 0.000 1.055 333 R CB 0.462 30.768 30.300 0.009 0.000 0.964 333 R HN 0.194 nan 8.270 nan 0.000 0.473 334 E N 1.274 121.465 120.200 -0.015 0.000 7.597 334 E HA -0.092 4.258 4.350 -0.001 0.000 0.453 334 E C -2.627 173.981 176.600 0.012 0.000 0.390 334 E CA -0.366 56.032 56.400 -0.003 0.000 0.710 334 E CB -0.259 29.442 29.700 0.003 0.000 0.966 334 E HN -0.015 nan 8.360 nan 0.000 0.263 335 P HA -0.052 nan 4.420 nan 0.000 0.264 335 P C -0.510 176.802 177.300 0.021 0.000 1.173 335 P CA 0.364 63.475 63.100 0.019 0.000 0.761 335 P CB 0.379 32.088 31.700 0.015 0.000 0.794 336 D N 2.092 122.502 120.400 0.016 0.000 2.434 336 D HA -0.066 4.574 4.640 -0.001 0.000 0.252 336 D C 0.145 176.459 176.300 0.023 0.000 1.185 336 D CA 0.652 54.658 54.000 0.010 0.000 0.886 336 D CB 0.303 41.106 40.800 0.004 0.000 1.148 336 D HN 0.323 nan 8.370 nan 0.000 0.483 337 D N 2.595 123.017 120.400 0.038 0.000 2.416 337 D HA -0.033 4.606 4.640 -0.001 0.000 0.240 337 D C 0.915 177.255 176.300 0.067 0.000 1.250 337 D CA -0.147 53.910 54.000 0.094 0.000 0.967 337 D CB 0.338 41.250 40.800 0.186 0.000 1.059 337 D HN 0.347 nan 8.370 nan 0.000 0.512 338 K N 1.441 121.862 120.400 0.034 0.000 2.505 338 K HA 0.059 4.379 4.320 -0.001 0.000 0.192 338 K C 0.252 176.814 176.600 -0.063 0.000 1.025 338 K CA 0.178 56.457 56.287 -0.013 0.000 1.086 338 K CB 0.780 33.273 32.500 -0.012 0.000 0.840 338 K HN 0.105 nan 8.250 nan 0.000 0.514 339 D N 0.142 120.513 120.400 -0.048 0.000 2.392 339 D HA -0.043 4.596 4.640 -0.001 0.000 0.206 339 D C -0.012 175.918 176.300 -0.617 0.000 1.046 339 D CA 0.126 54.020 54.000 -0.177 0.000 0.865 339 D CB 0.081 40.937 40.800 0.093 0.000 0.969 339 D HN 0.257 nan 8.370 nan 0.000 0.509 340 H N 0.518 119.255 119.070 -0.554 0.000 3.001 340 H HA -0.106 4.450 4.556 -0.001 0.000 0.334 340 H C 0.264 175.398 175.328 -0.324 0.000 1.034 340 H CA 0.665 56.422 56.048 -0.485 0.000 1.420 340 H CB 0.444 30.152 29.762 -0.090 0.000 1.405 340 H HN 0.061 nan 8.280 nan 0.000 0.593 341 Y N 3.052 123.295 120.300 -0.095 0.000 2.632 341 Y HA -0.037 4.512 4.550 -0.001 0.000 0.301 341 Y C 2.239 178.207 175.900 0.112 0.000 1.172 341 Y CA 0.894 58.993 58.100 -0.002 0.000 1.328 341 Y CB 0.112 38.552 38.460 -0.034 0.000 1.016 341 Y HN 0.766 nan 8.280 nan 0.000 0.529 342 A N -0.210 122.827 122.820 0.362 0.000 2.014 342 A HA -0.129 4.191 4.320 -0.001 0.000 0.218 342 A C 1.685 179.301 177.584 0.053 0.000 1.163 342 A CA 1.185 53.322 52.037 0.168 0.000 0.652 342 A CB -0.356 18.651 19.000 0.012 0.000 0.808 342 A HN 0.444 nan 8.150 nan 0.000 0.449 343 N N -0.591 118.114 118.700 0.009 0.000 2.322 343 N HA 0.078 4.818 4.740 -0.001 0.000 0.216 343 N C -0.497 174.977 175.510 -0.059 0.000 1.144 343 N CA 0.194 53.227 53.050 -0.028 0.000 0.830 343 N CB 0.316 38.775 38.487 -0.046 0.000 1.034 343 N HN 0.159 nan 8.380 nan 0.000 0.484 344 K N 0.801 121.170 120.400 -0.051 0.000 2.397 344 K HA 0.407 4.726 4.320 -0.001 0.000 0.253 344 K C -1.127 175.506 176.600 0.055 0.000 0.932 344 K CA -0.471 55.759 56.287 -0.095 0.000 0.795 344 K CB 1.660 33.892 32.500 -0.446 0.000 1.159 344 K HN -0.124 nan 8.250 nan 0.000 0.424 345 R N 2.594 123.126 120.500 0.053 0.000 2.740 345 R HA 0.625 4.964 4.340 -0.001 0.000 0.282 345 R C -1.489 174.869 176.300 0.097 0.000 0.969 345 R CA -0.785 55.366 56.100 0.086 0.000 0.918 345 R CB 1.123 31.461 30.300 0.064 0.000 1.175 345 R HN 0.432 nan 8.270 nan 0.000 0.464 346 L N 3.461 124.746 121.223 0.103 0.000 2.318 346 L HA 0.497 4.836 4.340 -0.001 0.000 0.277 346 L C -0.834 176.088 176.870 0.088 0.000 1.008 346 L CA -0.398 54.503 54.840 0.102 0.000 0.846 346 L CB 1.229 43.349 42.059 0.102 0.000 1.220 346 L HN 0.394 nan 8.230 nan 0.000 0.423 347 R N 5.381 125.938 120.500 0.094 0.000 2.248 347 R HA 0.372 4.711 4.340 -0.001 0.000 0.337 347 R C -0.284 176.094 176.300 0.131 0.000 1.106 347 R CA -0.376 55.783 56.100 0.100 0.000 0.959 347 R CB 0.018 30.373 30.300 0.092 0.000 1.075 347 R HN 0.560 nan 8.270 nan 0.000 0.480 348 L N 0.941 122.241 121.223 0.129 0.000 2.475 348 L HA 0.105 4.445 4.340 -0.001 0.000 0.250 348 L C 1.858 178.884 176.870 0.261 0.000 1.224 348 L CA 0.051 55.007 54.840 0.194 0.000 0.821 348 L CB 0.332 42.441 42.059 0.084 0.000 1.141 348 L HN 0.584 nan 8.230 nan 0.000 0.494 349 A N 1.050 124.117 122.820 0.412 0.000 1.883 349 A HA -0.144 4.176 4.320 -0.001 0.000 0.217 349 A C 2.080 179.791 177.584 0.211 0.000 1.186 349 A CA 1.949 54.127 52.037 0.235 0.000 0.624 349 A CB -1.491 17.564 19.000 0.092 0.000 0.822 349 A HN 0.986 nan 8.150 nan 0.000 0.444 350 G N 1.037 109.973 108.800 0.227 0.000 2.679 350 G HA2 -0.383 3.577 3.960 -0.001 0.000 0.217 350 G HA3 -0.383 3.577 3.960 -0.001 0.000 0.217 350 G C 1.155 176.108 174.900 0.088 0.000 1.267 350 G CA 1.446 46.660 45.100 0.190 0.000 0.799 350 G HN 0.712 nan 8.290 nan 0.000 0.606 351 D N 0.284 120.760 120.400 0.127 0.000 2.363 351 D HA 0.017 4.656 4.640 -0.001 0.000 0.226 351 D C 2.210 178.558 176.300 0.079 0.000 1.020 351 D CA 0.171 54.237 54.000 0.109 0.000 0.892 351 D CB -0.024 40.847 40.800 0.118 0.000 0.900 351 D HN 0.254 nan 8.370 nan 0.000 0.531 352 L N -0.401 120.882 121.223 0.099 0.000 2.131 352 L HA 0.119 4.459 4.340 -0.001 0.000 0.206 352 L C 1.828 178.740 176.870 0.070 0.000 1.087 352 L CA 0.936 55.832 54.840 0.093 0.000 0.767 352 L CB -0.824 41.310 42.059 0.126 0.000 0.917 352 L HN -0.030 nan 8.230 nan 0.000 0.441 353 F N -0.383 119.479 119.950 -0.147 0.000 2.456 353 F HA 0.108 4.634 4.527 -0.001 0.000 0.298 353 F C 2.121 177.704 175.800 -0.361 0.000 1.104 353 F CA 0.731 58.567 58.000 -0.273 0.000 1.435 353 F CB -0.199 38.581 39.000 -0.366 0.000 1.078 353 F HN 0.091 nan 8.300 nan 0.000 0.546 354 A N -0.930 121.725 122.820 -0.275 0.000 1.930 354 A HA -0.058 4.261 4.320 -0.001 0.000 0.215 354 A C 2.344 179.947 177.584 0.032 0.000 1.176 354 A CA 1.510 53.498 52.037 -0.081 0.000 0.632 354 A CB -0.994 18.110 19.000 0.174 0.000 0.819 354 A HN 0.303 nan 8.150 nan 0.000 0.445 355 S N -0.197 115.498 115.700 -0.009 0.000 2.399 355 S HA -0.145 4.325 4.470 -0.001 0.000 0.231 355 S C 1.851 176.410 174.600 -0.068 0.000 1.022 355 S CA 1.435 59.627 58.200 -0.013 0.000 0.983 355 S CB -0.401 62.787 63.200 -0.021 0.000 0.803 355 S HN 0.556 nan 8.310 nan 0.000 0.480 356 L N 0.871 122.016 121.223 -0.130 0.000 2.017 356 L HA 0.045 4.384 4.340 -0.001 0.000 0.208 356 L C 1.901 178.681 176.870 -0.151 0.000 1.073 356 L CA 1.716 56.441 54.840 -0.192 0.000 0.745 356 L CB -0.822 41.071 42.059 -0.276 0.000 0.894 356 L HN 0.282 nan 8.230 nan 0.000 0.432 357 F N 0.286 120.066 119.950 -0.285 0.000 2.216 357 F HA -0.154 4.373 4.527 -0.001 0.000 0.300 357 F C 2.698 178.478 175.800 -0.033 0.000 1.085 357 F CA 1.631 59.529 58.000 -0.169 0.000 1.326 357 F CB -0.255 38.678 39.000 -0.112 0.000 1.027 357 F HN 0.071 nan 8.300 nan 0.000 0.497 358 R N -0.349 120.215 120.500 0.106 0.000 2.096 358 R HA -0.145 4.194 4.340 -0.001 0.000 0.235 358 R C 2.258 178.551 176.300 -0.013 0.000 1.127 358 R CA 1.610 57.761 56.100 0.085 0.000 0.968 358 R CB -0.633 29.721 30.300 0.089 0.000 0.861 358 R HN 0.359 nan 8.270 nan 0.000 0.440 359 V N 0.124 119.981 119.914 -0.095 0.000 2.788 359 V HA 0.033 4.152 4.120 -0.001 0.000 0.251 359 V C 1.991 177.985 176.094 -0.167 0.000 1.068 359 V CA 1.518 63.729 62.300 -0.148 0.000 1.090 359 V CB 0.262 31.943 31.823 -0.237 0.000 0.710 359 V HN 0.436 nan 8.190 nan 0.000 0.467 360 A N -0.499 122.205 122.820 -0.193 0.000 1.930 360 A HA -0.145 4.175 4.320 -0.001 0.000 0.217 360 A C 2.031 179.519 177.584 -0.161 0.000 1.175 360 A CA 1.927 53.851 52.037 -0.188 0.000 0.627 360 A CB -0.734 18.133 19.000 -0.222 0.000 0.815 360 A HN 0.659 nan 8.150 nan 0.000 0.443 361 F N 0.514 120.221 119.950 -0.405 0.000 2.234 361 F HA 0.043 4.569 4.527 -0.001 0.000 0.296 361 F C 1.982 177.745 175.800 -0.063 0.000 1.089 361 F CA 1.752 59.556 58.000 -0.327 0.000 1.343 361 F CB -0.085 38.577 39.000 -0.565 0.000 1.040 361 F HN 0.147 nan 8.300 nan 0.000 0.498 362 K N 0.804 121.096 120.400 -0.179 0.000 2.097 362 K HA -0.044 4.275 4.320 -0.001 0.000 0.206 362 K C 2.098 178.584 176.600 -0.190 0.000 1.049 362 K CA 1.387 57.557 56.287 -0.195 0.000 0.933 362 K CB -0.578 31.867 32.500 -0.091 0.000 0.717 362 K HN 0.251 nan 8.250 nan 0.000 0.442 363 A N -0.356 122.381 122.820 -0.138 0.000 2.014 363 A HA -0.061 4.258 4.320 -0.001 0.000 0.218 363 A C 2.036 179.563 177.584 -0.095 0.000 1.163 363 A CA 1.102 53.077 52.037 -0.102 0.000 0.652 363 A CB -0.724 18.230 19.000 -0.076 0.000 0.808 363 A HN 0.501 nan 8.150 nan 0.000 0.449 364 F N 0.225 120.016 119.950 -0.264 0.000 2.259 364 F HA -0.066 4.461 4.527 -0.001 0.000 0.298 364 F C 2.009 177.639 175.800 -0.282 0.000 1.088 364 F CA 1.546 59.398 58.000 -0.246 0.000 1.358 364 F CB -0.052 38.790 39.000 -0.263 0.000 1.040 364 F HN 0.012 nan 8.300 nan 0.000 0.505 365 V N 0.956 120.638 119.914 -0.386 0.000 2.358 365 V HA -0.272 3.848 4.120 -0.001 0.000 0.246 365 V C 2.494 178.413 176.094 -0.291 0.000 1.047 365 V CA 2.173 64.235 62.300 -0.398 0.000 1.035 365 V CB -0.671 30.927 31.823 -0.376 0.000 0.658 365 V HN 0.317 nan 8.190 nan 0.000 0.452 366 K N 0.036 120.306 120.400 -0.216 0.000 2.147 366 K HA -0.261 4.059 4.320 -0.001 0.000 0.205 366 K C 1.834 178.366 176.600 -0.113 0.000 1.049 366 K CA 2.015 58.221 56.287 -0.134 0.000 0.936 366 K CB -0.153 32.284 32.500 -0.104 0.000 0.722 366 K HN 0.628 nan 8.250 nan 0.000 0.446 367 D N -0.026 120.268 120.400 -0.176 0.000 2.103 367 D HA -0.167 4.473 4.640 -0.001 0.000 0.199 367 D C 1.955 178.166 176.300 -0.148 0.000 0.978 367 D CA 0.628 54.556 54.000 -0.120 0.000 0.829 367 D CB 0.046 40.744 40.800 -0.171 0.000 0.981 367 D HN 0.103 nan 8.370 nan 0.000 0.464 368 L N 0.502 121.520 121.223 -0.342 0.000 2.042 368 L HA -0.132 4.208 4.340 -0.001 0.000 0.210 368 L C 2.268 179.042 176.870 -0.162 0.000 1.076 368 L CA 1.869 56.524 54.840 -0.310 0.000 0.749 368 L CB -0.998 40.800 42.059 -0.435 0.000 0.893 368 L HN 0.110 nan 8.230 nan 0.000 0.432 369 T N -1.848 112.631 114.554 -0.124 0.000 2.746 369 T HA -0.255 4.094 4.350 -0.001 0.000 0.267 369 T C 1.640 176.330 174.700 -0.018 0.000 1.039 369 T CA 1.791 63.855 62.100 -0.060 0.000 1.142 369 T CB -0.518 68.325 68.868 -0.042 0.000 0.866 369 T HN 0.474 nan 8.240 nan 0.000 0.444 370 Y N 1.254 121.491 120.300 -0.106 0.000 2.516 370 Y HA 0.085 4.634 4.550 -0.001 0.000 0.291 370 Y C 2.366 178.220 175.900 -0.076 0.000 1.131 370 Y CA 0.659 58.710 58.100 -0.081 0.000 1.281 370 Y CB -0.108 38.305 38.460 -0.078 0.000 1.013 370 Y HN 0.043 nan 8.280 nan 0.000 0.554 371 Q N -0.096 119.580 119.800 -0.207 0.000 2.354 371 Q HA 0.073 4.413 4.340 -0.001 0.000 0.203 371 Q C 1.752 177.617 176.000 -0.224 0.000 0.933 371 Q CA 0.966 56.613 55.803 -0.261 0.000 0.901 371 Q CB -0.053 28.599 28.738 -0.144 0.000 1.007 371 Q HN 0.598 nan 8.270 nan 0.000 0.495 372 L N -0.494 120.628 121.223 -0.169 0.000 2.062 372 L HA -0.020 4.319 4.340 -0.001 0.000 0.202 372 L C 2.244 179.036 176.870 -0.130 0.000 1.079 372 L CA 1.224 55.991 54.840 -0.121 0.000 0.755 372 L CB -0.326 41.685 42.059 -0.080 0.000 0.913 372 L HN 0.245 nan 8.230 nan 0.000 0.445 373 E N 0.437 120.563 120.200 -0.124 0.000 2.171 373 E HA -0.275 4.074 4.350 -0.001 0.000 0.197 373 E C 0.903 177.420 176.600 -0.138 0.000 0.997 373 E CA 1.235 57.576 56.400 -0.098 0.000 0.810 373 E CB 0.232 29.899 29.700 -0.054 0.000 0.738 373 E HN -0.020 nan 8.360 nan 0.000 0.467 374 K N -0.624 119.627 120.400 -0.248 0.000 3.000 374 K HA 0.167 4.487 4.320 -0.001 0.000 0.239 374 K C -0.382 176.097 176.600 -0.201 0.000 1.269 374 K CA -0.017 56.120 56.287 -0.251 0.000 1.220 374 K CB 0.197 32.445 32.500 -0.419 0.000 1.645 374 K HN 0.006 nan 8.250 nan 0.000 0.423 375 S N -0.664 114.956 115.700 -0.135 0.000 2.571 375 S HA 0.072 4.541 4.470 -0.001 0.000 0.205 375 S C 0.171 174.731 174.600 -0.067 0.000 0.865 375 S CA -0.322 57.819 58.200 -0.098 0.000 1.315 375 S CB -0.107 63.029 63.200 -0.106 0.000 0.952 375 S HN 0.255 nan 8.310 nan 0.000 0.363 376 K N 3.134 123.496 120.400 -0.064 0.000 2.569 376 K HA 0.137 4.457 4.320 -0.001 0.000 0.193 376 K C 1.692 178.270 176.600 -0.037 0.000 1.026 376 K CA 0.891 57.152 56.287 -0.043 0.000 1.093 376 K CB -0.100 32.377 32.500 -0.038 0.000 0.849 376 K HN 0.603 nan 8.250 nan 0.000 0.509 377 V N -1.691 118.197 119.914 -0.042 0.000 2.667 377 V HA -0.063 4.056 4.120 -0.001 0.000 0.252 377 V C 0.941 177.020 176.094 -0.026 0.000 1.065 377 V CA 0.733 63.013 62.300 -0.033 0.000 1.083 377 V CB -0.573 31.229 31.823 -0.036 0.000 0.692 377 V HN 0.126 nan 8.190 nan 0.000 0.468 378 R N 1.978 122.461 120.500 -0.028 0.000 2.565 378 R HA 0.465 4.804 4.340 -0.001 0.000 0.286 378 R C 0.616 176.905 176.300 -0.019 0.000 1.256 378 R CA 0.236 56.322 56.100 -0.022 0.000 1.238 378 R CB 0.804 31.091 30.300 -0.022 0.000 1.153 378 R HN 0.496 nan 8.270 nan 0.000 0.553 379 G N 2.039 110.830 108.800 -0.015 0.000 2.690 379 G HA2 0.004 3.964 3.960 -0.001 0.000 0.294 379 G HA3 0.004 3.964 3.960 -0.001 0.000 0.294 379 G C 0.508 175.403 174.900 -0.009 0.000 0.793 379 G CA -0.082 45.011 45.100 -0.012 0.000 1.818 379 G HN 0.604 nan 8.290 nan 0.000 0.515 380 R N 1.182 121.676 120.500 -0.009 0.000 4.933 380 R HA 0.085 4.424 4.340 -0.001 0.000 0.075 380 R C -0.103 176.194 176.300 -0.005 0.000 0.685 380 R CA -0.218 55.878 56.100 -0.007 0.000 1.394 380 R CB 0.054 30.349 30.300 -0.007 0.000 1.458 380 R HN 0.332 nan 8.270 nan 0.000 0.400 381 K N 2.370 122.766 120.400 -0.007 0.000 2.218 381 K HA 0.245 4.564 4.320 -0.001 0.000 0.276 381 K C 0.449 177.047 176.600 -0.004 0.000 1.022 381 K CA 0.001 56.285 56.287 -0.005 0.000 0.946 381 K CB 1.071 33.567 32.500 -0.006 0.000 1.000 381 K HN 0.362 nan 8.250 nan 0.000 0.468 382 L N -0.931 120.293 121.223 0.002 0.000 3.267 382 L HA 0.466 4.805 4.340 -0.001 0.000 0.289 382 L C 0.179 177.058 176.870 0.014 0.000 1.260 382 L CA -0.683 54.160 54.840 0.006 0.000 1.034 382 L CB 0.949 43.014 42.059 0.009 0.000 1.413 382 L HN 0.411 nan 8.230 nan 0.000 0.594 383 A N 0.987 123.815 122.820 0.013 0.000 2.489 383 A HA 0.303 4.622 4.320 -0.001 0.000 0.289 383 A C 1.230 178.834 177.584 0.033 0.000 1.216 383 A CA -0.141 51.910 52.037 0.024 0.000 0.883 383 A CB -0.108 18.902 19.000 0.018 0.000 1.110 383 A HN 0.584 nan 8.150 nan 0.000 0.523 384 L N 2.160 123.414 121.223 0.052 0.000 2.093 384 L HA -0.153 4.186 4.340 -0.001 0.000 0.208 384 L C 2.578 179.499 176.870 0.086 0.000 1.085 384 L CA 1.705 56.587 54.840 0.071 0.000 0.755 384 L CB -0.298 41.821 42.059 0.100 0.000 0.904 384 L HN 0.859 nan 8.230 nan 0.000 0.435 385 K N 0.488 120.944 120.400 0.092 0.000 2.281 385 K HA -0.178 4.142 4.320 -0.001 0.000 0.203 385 K C 1.806 178.441 176.600 0.059 0.000 1.046 385 K CA 1.209 57.554 56.287 0.097 0.000 0.938 385 K CB 0.050 32.606 32.500 0.094 0.000 0.737 385 K HN 0.310 nan 8.250 nan 0.000 0.458 386 A N 0.119 122.962 122.820 0.038 0.000 2.132 386 A HA 0.117 4.437 4.320 -0.001 0.000 0.213 386 A C 1.652 179.238 177.584 0.003 0.000 1.154 386 A CA 0.322 52.368 52.037 0.016 0.000 0.753 386 A CB 0.117 19.121 19.000 0.006 0.000 0.826 386 A HN 0.264 nan 8.150 nan 0.000 0.469 387 L N -0.895 120.329 121.223 0.003 0.000 2.575 387 L HA 0.169 4.509 4.340 -0.001 0.000 0.228 387 L C 0.150 177.000 176.870 -0.034 0.000 1.075 387 L CA 0.000 54.823 54.840 -0.029 0.000 0.867 387 L CB 0.390 42.419 42.059 -0.050 0.000 1.097 387 L HN 0.007 nan 8.230 nan 0.000 0.485 388 V N 2.116 122.042 119.914 0.020 0.000 2.485 388 V HA -0.015 4.105 4.120 -0.001 0.000 0.287 388 V C 0.608 176.751 176.094 0.081 0.000 1.022 388 V CA 0.283 62.619 62.300 0.061 0.000 1.067 388 V CB 0.434 32.417 31.823 0.267 0.000 0.967 388 V HN 0.286 nan 8.190 nan 0.000 0.479 389 R N 7.538 128.057 120.500 0.031 0.000 2.296 389 R HA 0.257 4.597 4.340 -0.001 0.000 0.327 389 R C -1.942 174.487 176.300 0.215 0.000 1.137 389 R CA -1.411 54.735 56.100 0.076 0.000 1.020 389 R CB 0.804 31.117 30.300 0.022 0.000 1.110 389 R HN 0.530 nan 8.270 nan 0.000 0.499 390 P HA 0.084 nan 4.420 nan 0.000 0.253 390 P C -0.390 177.035 177.300 0.210 0.000 1.459 390 P CA 0.310 63.592 63.100 0.304 0.000 0.908 390 P CB 0.508 32.383 31.700 0.291 0.000 1.470 391 D N -0.699 119.789 120.400 0.146 0.000 2.479 391 D HA 0.098 4.738 4.640 -0.001 0.000 0.221 391 D C 1.775 178.114 176.300 0.065 0.000 1.104 391 D CA -0.041 54.011 54.000 0.087 0.000 0.849 391 D CB 0.537 41.368 40.800 0.052 0.000 1.072 391 D HN -0.017 nan 8.370 nan 0.000 0.502 392 I N 1.521 122.150 120.570 0.098 0.000 2.381 392 I HA -0.196 3.974 4.170 -0.001 0.000 0.255 392 I C 2.295 178.432 176.117 0.035 0.000 1.140 392 I CA 1.004 62.347 61.300 0.071 0.000 1.404 392 I CB -1.112 36.947 38.000 0.099 0.000 1.075 392 I HN -0.080 nan 8.210 nan 0.000 0.433 393 V N -0.032 119.901 119.914 0.032 0.000 2.599 393 V HA -0.094 4.025 4.120 -0.001 0.000 0.245 393 V C 2.406 178.474 176.094 -0.043 0.000 1.046 393 V CA 1.594 63.863 62.300 -0.052 0.000 1.065 393 V CB -1.007 30.741 31.823 -0.126 0.000 0.703 393 V HN 0.353 nan 8.190 nan 0.000 0.464 394 T N -0.481 114.065 114.554 -0.014 0.000 2.770 394 T HA -0.122 4.228 4.350 -0.001 0.000 0.263 394 T C 1.895 176.557 174.700 -0.063 0.000 1.039 394 T CA 1.256 63.343 62.100 -0.021 0.000 1.142 394 T CB -0.130 68.744 68.868 0.009 0.000 0.868 394 T HN 0.342 nan 8.240 nan 0.000 0.435 395 E N 1.240 121.400 120.200 -0.068 0.000 2.028 395 E HA -0.018 4.332 4.350 -0.001 0.000 0.191 395 E C 2.237 178.781 176.600 -0.094 0.000 0.988 395 E CA 0.809 57.131 56.400 -0.130 0.000 0.799 395 E CB -0.212 29.445 29.700 -0.071 0.000 0.755 395 E HN 0.297 nan 8.360 nan 0.000 0.447 396 R N 0.526 121.005 120.500 -0.034 0.000 2.339 396 R HA 0.058 4.398 4.340 -0.001 0.000 0.199 396 R C 1.868 178.147 176.300 -0.034 0.000 1.018 396 R CA 0.175 56.273 56.100 -0.003 0.000 1.036 396 R CB -0.062 30.226 30.300 -0.021 0.000 0.899 396 R HN 0.157 nan 8.270 nan 0.000 0.473 397 I N -0.183 120.355 120.570 -0.054 0.000 4.139 397 I HA 0.043 4.212 4.170 -0.001 0.000 0.335 397 I C 1.489 177.589 176.117 -0.029 0.000 1.327 397 I CA -0.060 61.202 61.300 -0.063 0.000 1.112 397 I CB 0.160 38.120 38.000 -0.066 0.000 1.058 397 I HN 0.135 nan 8.210 nan 0.000 0.396 398 R N -1.371 119.107 120.500 -0.037 0.000 2.167 398 R HA 0.117 4.457 4.340 -0.001 0.000 0.195 398 R C 1.154 177.538 176.300 0.140 0.000 1.027 398 R CA 0.165 56.271 56.100 0.009 0.000 1.114 398 R CB -0.493 29.786 30.300 -0.035 0.000 1.075 398 R HN 0.187 nan 8.270 nan 0.000 0.538 399 H N 0.564 119.669 119.070 0.059 0.000 2.572 399 H HA 0.357 4.912 4.556 -0.001 0.000 0.278 399 H C 0.319 175.698 175.328 0.086 0.000 1.050 399 H CA 0.436 56.524 56.048 0.067 0.000 1.168 399 H CB 0.713 30.514 29.762 0.065 0.000 1.316 399 H HN 0.519 nan 8.280 nan 0.000 0.610 400 A N -0.039 122.894 122.820 0.189 0.000 2.635 400 A HA 0.207 4.527 4.320 -0.001 0.000 0.279 400 A C 1.263 178.910 177.584 0.105 0.000 1.122 400 A CA -0.179 51.956 52.037 0.164 0.000 0.965 400 A CB 0.188 19.297 19.000 0.181 0.000 1.221 400 A HN 0.272 nan 8.150 nan 0.000 0.566 401 L N -2.344 118.934 121.223 0.092 0.000 2.781 401 L HA 0.621 4.960 4.340 -0.001 0.000 0.245 401 L C 1.634 178.548 176.870 0.074 0.000 1.118 401 L CA 1.564 56.438 54.840 0.055 0.000 0.918 401 L CB 0.430 42.489 42.059 0.001 0.000 1.246 401 L HN 0.185 nan 8.230 nan 0.000 0.526 402 A N -1.782 121.101 122.820 0.104 0.000 1.999 402 A HA 0.108 4.428 4.320 -0.001 0.000 0.200 402 A C 2.044 179.675 177.584 0.079 0.000 1.363 402 A CA 0.916 53.010 52.037 0.096 0.000 0.844 402 A CB -0.453 18.616 19.000 0.113 0.000 0.954 402 A HN 0.249 nan 8.150 nan 0.000 0.481 403 T N -0.449 114.155 114.554 0.085 0.000 2.951 403 T HA 0.326 4.675 4.350 -0.001 0.000 0.268 403 T C 0.831 175.569 174.700 0.063 0.000 1.073 403 T CA 1.908 64.044 62.100 0.059 0.000 1.134 403 T CB -0.359 68.543 68.868 0.057 0.000 0.884 403 T HN 1.734 nan 8.240 nan 0.000 0.479 404 G N 1.781 110.631 108.800 0.082 0.000 3.220 404 G HA2 -0.062 3.898 3.960 -0.001 0.000 0.636 404 G HA3 -0.062 3.898 3.960 -0.001 0.000 0.636 404 G C -0.463 174.506 174.900 0.116 0.000 1.226 404 G CA -0.451 44.699 45.100 0.085 0.000 1.177 404 G HN 0.465 nan 8.290 nan 0.000 0.527 405 N N -0.246 118.527 118.700 0.122 0.000 2.065 405 N HA 0.042 4.782 4.740 -0.001 0.000 0.215 405 N C 0.685 176.352 175.510 0.262 0.000 1.319 405 N CA 1.869 55.011 53.050 0.153 0.000 0.876 405 N CB 0.391 38.945 38.487 0.112 0.000 1.041 405 N HN 1.026 nan 8.380 nan 0.000 0.448 406 W N -0.035 121.273 121.300 0.013 0.000 4.468 406 W HA 0.190 4.849 4.660 -0.001 0.000 0.345 406 W C 1.039 177.562 176.519 0.006 0.000 3.463 406 W CA 1.027 58.379 57.345 0.012 0.000 1.147 406 W CB -0.623 28.844 29.460 0.011 0.000 2.105 406 W HN 0.305 nan 8.180 nan 0.000 0.357 407 V N 1.380 120.793 119.914 -0.836 0.000 0.625 407 V HA -0.425 3.694 4.120 -0.001 0.000 0.092 407 V C 1.645 177.515 176.094 -0.373 0.000 1.557 407 V CA 3.574 65.415 62.300 -0.765 0.000 3.302 407 V CB -2.358 29.241 31.823 -0.373 0.000 0.571 407 V HN 1.069 nan 8.190 nan 0.000 0.581 408 G N -1.122 107.615 108.800 -0.104 0.000 2.484 408 G HA2 0.363 4.323 3.960 -0.001 0.000 0.218 408 G HA3 0.363 4.323 3.960 -0.001 0.000 0.218 408 G C 1.459 176.436 174.900 0.129 0.000 1.130 408 G CA 1.900 47.006 45.100 0.010 0.000 0.784 408 G HN 2.192 nan 8.290 nan 0.000 0.543 409 G N -0.520 108.452 108.800 0.287 0.000 2.349 409 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.213 409 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.213 409 G C 0.552 175.581 174.900 0.216 0.000 1.044 409 G CA -0.013 45.308 45.100 0.369 0.000 0.633 409 G HN 0.493 nan 8.290 nan 0.000 0.506 410 R N 2.363 122.952 120.500 0.149 0.000 2.474 410 R HA 0.486 4.826 4.340 -0.001 0.000 0.339 410 R C 0.955 177.320 176.300 0.109 0.000 1.033 410 R CA 0.921 57.083 56.100 0.104 0.000 0.997 410 R CB 0.033 30.382 30.300 0.081 0.000 0.963 410 R HN 0.371 nan 8.270 nan 0.000 0.438 411 T N 1.431 116.038 114.554 0.089 0.000 2.795 411 T HA 0.297 4.646 4.350 -0.001 0.000 0.314 411 T C 0.784 175.527 174.700 0.071 0.000 1.069 411 T CA 0.639 62.786 62.100 0.078 0.000 1.071 411 T CB 0.281 69.174 68.868 0.043 0.000 0.988 411 T HN 0.862 nan 8.240 nan 0.000 0.543 412 G N 1.883 110.725 108.800 0.070 0.000 2.370 412 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.295 412 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.295 412 G C 0.480 175.425 174.900 0.075 0.000 1.045 412 G CA 0.175 45.315 45.100 0.066 0.000 1.199 412 G HN 0.813 nan 8.290 nan 0.000 0.513 413 V N 0.008 119.971 119.914 0.082 0.000 2.795 413 V HA 0.201 4.320 4.120 -0.001 0.000 0.243 413 V C 1.659 177.798 176.094 0.075 0.000 1.069 413 V CA 1.749 64.098 62.300 0.083 0.000 1.089 413 V CB 0.379 32.254 31.823 0.087 0.000 0.756 413 V HN 1.153 nan 8.190 nan 0.000 0.471 414 S N 0.810 116.554 115.700 0.073 0.000 2.433 414 S HA 0.717 5.186 4.470 -0.001 0.000 0.310 414 S C -0.662 173.977 174.600 0.066 0.000 1.097 414 S CA -0.722 57.517 58.200 0.064 0.000 1.103 414 S CB 1.700 64.942 63.200 0.071 0.000 0.992 414 S HN 0.464 nan 8.310 nan 0.000 0.469 415 Q N 1.214 121.051 119.800 0.063 0.000 2.712 415 Q HA 0.604 4.943 4.340 -0.001 0.000 0.267 415 Q C -1.073 174.963 176.000 0.059 0.000 1.062 415 Q CA -1.170 54.686 55.803 0.088 0.000 0.888 415 Q CB 1.029 29.867 28.738 0.167 0.000 1.374 415 Q HN 0.693 nan 8.270 nan 0.000 0.498 416 L N 1.454 122.726 121.223 0.080 0.000 2.290 416 L HA 0.223 4.562 4.340 -0.001 0.000 0.284 416 L C -0.756 176.146 176.870 0.054 0.000 1.078 416 L CA -0.433 54.433 54.840 0.043 0.000 0.815 416 L CB 0.659 42.737 42.059 0.033 0.000 1.162 416 L HN 0.522 nan 8.230 nan 0.000 0.435 417 L N 5.946 127.128 121.223 -0.068 0.000 2.546 417 L HA 0.011 4.350 4.340 -0.001 0.000 0.272 417 L C 0.429 177.301 176.870 0.004 0.000 1.327 417 L CA 0.473 55.233 54.840 -0.133 0.000 1.199 417 L CB -0.906 40.940 42.059 -0.355 0.000 1.401 417 L HN 0.682 nan 8.230 nan 0.000 0.440 418 D N 2.927 123.427 120.400 0.167 0.000 2.659 418 D HA -0.203 4.436 4.640 -0.001 0.000 0.275 418 D C 0.460 176.751 176.300 -0.015 0.000 1.407 418 D CA -0.037 53.986 54.000 0.037 0.000 1.033 418 D CB 0.500 41.293 40.800 -0.011 0.000 1.139 418 D HN 0.374 nan 8.370 nan 0.000 0.565 419 R N 2.804 123.270 120.500 -0.057 0.000 3.081 419 R HA 0.103 4.443 4.340 -0.001 0.000 0.280 419 R C 1.592 177.832 176.300 -0.100 0.000 1.372 419 R CA -0.103 55.971 56.100 -0.044 0.000 1.242 419 R CB -0.394 29.888 30.300 -0.030 0.000 1.316 419 R HN 0.384 nan 8.270 nan 0.000 0.585 420 T N 0.013 114.504 114.554 -0.104 0.000 2.597 420 T HA -0.194 4.155 4.350 -0.001 0.000 0.267 420 T C 0.625 175.291 174.700 -0.057 0.000 1.053 420 T CA 2.117 64.127 62.100 -0.151 0.000 1.165 420 T CB -0.178 68.578 68.868 -0.187 0.000 0.863 420 T HN 0.638 nan 8.240 nan 0.000 0.427 421 N N -2.340 116.388 118.700 0.047 0.000 3.157 421 N HA 0.230 4.970 4.740 -0.001 0.000 0.291 421 N C -0.216 175.446 175.510 0.254 0.000 1.515 421 N CA -0.802 52.356 53.050 0.179 0.000 0.807 421 N CB -0.005 38.588 38.487 0.176 0.000 1.672 421 N HN 0.103 nan 8.380 nan 0.000 0.592 422 W N 0.127 121.499 121.300 0.120 0.000 2.381 422 W HA 0.111 4.770 4.660 -0.001 0.000 0.301 422 W C 1.677 178.260 176.519 0.107 0.000 1.205 422 W CA 1.119 58.522 57.345 0.096 0.000 1.285 422 W CB -0.440 29.052 29.460 0.054 0.000 1.133 422 W HN 0.579 nan 8.180 nan 0.000 0.521 423 L N 0.511 121.888 121.223 0.256 0.000 2.187 423 L HA -0.160 4.180 4.340 -0.001 0.000 0.213 423 L C 2.515 179.371 176.870 -0.022 0.000 1.100 423 L CA 2.521 57.429 54.840 0.113 0.000 0.765 423 L CB -1.211 41.041 42.059 0.323 0.000 0.904 423 L HN 0.003 nan 8.230 nan 0.000 0.437 424 S N -0.845 114.866 115.700 0.019 0.000 2.355 424 S HA -0.230 4.240 4.470 -0.001 0.000 0.222 424 S C 2.084 176.655 174.600 -0.048 0.000 1.031 424 S CA 1.613 59.804 58.200 -0.014 0.000 0.993 424 S CB -0.390 62.812 63.200 0.002 0.000 0.859 424 S HN 0.635 nan 8.310 nan 0.000 0.453 425 M N 0.458 120.013 119.600 -0.076 0.000 2.132 425 M HA 0.000 4.480 4.480 -0.001 0.000 0.263 425 M C 2.142 178.376 176.300 -0.109 0.000 1.065 425 M CA 1.454 56.711 55.300 -0.071 0.000 1.122 425 M CB -0.497 32.019 32.600 -0.140 0.000 1.365 425 M HN 0.452 nan 8.290 nan 0.000 0.411 426 L N 0.135 121.199 121.223 -0.265 0.000 2.187 426 L HA -0.204 4.135 4.340 -0.001 0.000 0.213 426 L C 2.578 179.372 176.870 -0.127 0.000 1.100 426 L CA 1.598 56.267 54.840 -0.285 0.000 0.765 426 L CB -0.253 41.499 42.059 -0.511 0.000 0.904 426 L HN 0.444 nan 8.230 nan 0.000 0.437 427 S N -1.698 113.954 115.700 -0.079 0.000 2.395 427 S HA -0.237 4.233 4.470 -0.001 0.000 0.225 427 S C 1.942 176.572 174.600 0.050 0.000 1.027 427 S CA 1.002 59.187 58.200 -0.025 0.000 0.965 427 S CB -0.329 62.849 63.200 -0.036 0.000 0.812 427 S HN 0.654 nan 8.310 nan 0.000 0.482 428 H N 0.306 119.346 119.070 -0.052 0.000 2.387 428 H HA 0.034 4.589 4.556 -0.001 0.000 0.299 428 H C 1.545 176.883 175.328 0.018 0.000 1.099 428 H CA 1.515 57.548 56.048 -0.024 0.000 1.315 428 H CB -0.051 29.678 29.762 -0.054 0.000 1.380 428 H HN 0.327 nan 8.280 nan 0.000 0.513 429 L N 0.283 121.589 121.223 0.137 0.000 2.622 429 L HA -0.020 4.320 4.340 -0.001 0.000 0.233 429 L C 1.414 178.392 176.870 0.180 0.000 1.156 429 L CA 0.624 55.549 54.840 0.141 0.000 0.866 429 L CB 0.067 42.168 42.059 0.069 0.000 0.980 429 L HN 0.276 nan 8.230 nan 0.000 0.448 430 R N -1.284 119.292 120.500 0.127 0.000 2.531 430 R HA 0.217 4.557 4.340 -0.001 0.000 0.316 430 R C 0.440 176.795 176.300 0.091 0.000 0.955 430 R CA -0.324 55.820 56.100 0.073 0.000 1.120 430 R CB 0.719 31.039 30.300 0.032 0.000 1.361 430 R HN 0.179 nan 8.270 nan 0.000 0.534 431 R N 1.420 122.006 120.500 0.143 0.000 2.582 431 R HA 0.245 4.585 4.340 -0.001 0.000 0.271 431 R C 0.010 176.395 176.300 0.142 0.000 1.078 431 R CA -0.076 56.098 56.100 0.123 0.000 1.127 431 R CB 1.197 31.568 30.300 0.119 0.000 1.038 431 R HN -0.094 nan 8.270 nan 0.000 0.500 432 V N -0.338 119.641 119.914 0.107 0.000 3.040 432 V HA 0.717 4.836 4.120 -0.001 0.000 0.312 432 V C -0.419 175.734 176.094 0.098 0.000 1.115 432 V CA -0.958 61.409 62.300 0.112 0.000 0.998 432 V CB 2.131 34.016 31.823 0.102 0.000 1.042 432 V HN 0.627 nan 8.190 nan 0.000 0.433 433 I N 1.421 122.050 120.570 0.098 0.000 2.686 433 I HA 0.498 4.667 4.170 -0.001 0.000 0.295 433 I C 0.122 176.282 176.117 0.072 0.000 1.114 433 I CA -0.377 60.971 61.300 0.079 0.000 1.038 433 I CB 2.425 40.472 38.000 0.078 0.000 1.238 433 I HN 0.884 nan 8.210 nan 0.000 0.420 434 S N 2.497 118.230 115.700 0.055 0.000 2.614 434 S HA 0.340 4.810 4.470 -0.001 0.000 0.265 434 S C 0.477 175.097 174.600 0.034 0.000 1.303 434 S CA -0.036 58.188 58.200 0.039 0.000 1.000 434 S CB 1.452 64.665 63.200 0.022 0.000 0.935 434 S HN 0.670 nan 8.310 nan 0.000 0.551 435 S N 1.270 116.984 115.700 0.024 0.000 3.145 435 S HA 0.337 4.806 4.470 -0.001 0.000 0.174 435 S C -0.025 174.584 174.600 0.015 0.000 0.981 435 S CA -0.474 57.741 58.200 0.026 0.000 1.620 435 S CB -0.394 62.822 63.200 0.026 0.000 0.569 435 S HN 0.655 nan 8.310 nan 0.000 0.523 436 L N 2.072 123.301 121.223 0.010 0.000 2.776 436 L HA 0.224 4.564 4.340 -0.001 0.000 0.283 436 L C 0.274 177.139 176.870 -0.009 0.000 1.194 436 L CA 0.970 55.812 54.840 0.003 0.000 0.947 436 L CB -0.700 41.359 42.059 -0.000 0.000 1.255 436 L HN 0.668 nan 8.230 nan 0.000 0.481 437 A N 5.176 127.990 122.820 -0.011 0.000 4.616 437 A HA 0.663 4.982 4.320 -0.001 0.000 0.148 437 A C 0.264 177.832 177.584 -0.027 0.000 0.866 437 A CA 0.026 52.047 52.037 -0.026 0.000 1.392 437 A CB 0.297 19.283 19.000 -0.024 0.000 2.279 437 A HN 0.654 nan 8.150 nan 0.000 1.006 438 R N -1.135 119.348 120.500 -0.028 0.000 2.022 438 R HA -0.055 4.284 4.340 -0.001 0.000 0.372 438 R C 0.958 177.239 176.300 -0.031 0.000 1.161 438 R CA 1.203 57.289 56.100 -0.023 0.000 0.928 438 R CB -1.622 28.671 30.300 -0.011 0.000 2.817 438 R HN 2.916 nan 8.270 nan 0.000 0.489 439 G N 1.822 110.599 108.800 -0.038 0.000 2.480 439 G HA2 -0.406 3.553 3.960 -0.001 0.000 0.246 439 G HA3 -0.406 3.553 3.960 -0.001 0.000 0.246 439 G C 0.152 175.018 174.900 -0.058 0.000 1.073 439 G CA 0.636 45.714 45.100 -0.037 0.000 0.643 439 G HN 0.673 nan 8.290 nan 0.000 0.525 440 Q N 1.400 121.160 119.800 -0.067 0.000 2.352 440 Q HA 0.111 4.450 4.340 -0.001 0.000 0.326 440 Q C -1.838 174.067 176.000 -0.158 0.000 1.135 440 Q CA 0.254 56.008 55.803 -0.081 0.000 1.000 440 Q CB 0.324 29.016 28.738 -0.076 0.000 1.237 440 Q HN 0.416 nan 8.270 nan 0.000 0.409 441 P HA 0.025 nan 4.420 nan 0.000 0.232 441 P C -0.885 176.114 177.300 -0.502 0.000 1.738 441 P CA 0.089 63.058 63.100 -0.218 0.000 0.948 441 P CB -0.650 31.123 31.700 0.123 0.000 1.943 442 N N 0.745 119.090 118.700 -0.593 0.000 2.405 442 N HA 0.171 4.911 4.740 -0.001 0.000 0.260 442 N C 0.056 175.163 175.510 -0.672 0.000 1.152 442 N CA -0.260 52.537 53.050 -0.422 0.000 0.948 442 N CB 0.155 38.500 38.487 -0.237 0.000 1.111 442 N HN 0.159 nan 8.380 nan 0.000 0.485 443 F N 0.421 120.385 119.950 0.023 0.000 2.754 443 F HA 0.159 4.686 4.527 -0.001 0.000 0.316 443 F C 1.590 177.409 175.800 0.033 0.000 0.959 443 F CA -0.223 57.793 58.000 0.026 0.000 1.148 443 F CB 0.115 39.127 39.000 0.020 0.000 0.951 443 F HN 0.287 nan 8.300 nan 0.000 0.625 444 E N 1.145 121.461 120.200 0.194 0.000 2.204 444 E HA -0.072 4.278 4.350 -0.001 0.000 0.195 444 E C 2.024 178.692 176.600 0.113 0.000 0.990 444 E CA 1.309 57.790 56.400 0.136 0.000 0.821 444 E CB -0.403 29.360 29.700 0.104 0.000 0.750 444 E HN 0.349 nan 8.360 nan 0.000 0.477 445 A N 0.668 123.532 122.820 0.073 0.000 2.014 445 A HA 0.107 4.426 4.320 -0.001 0.000 0.210 445 A C 1.980 179.605 177.584 0.069 0.000 1.188 445 A CA 0.235 52.304 52.037 0.053 0.000 0.731 445 A CB 0.043 19.045 19.000 0.004 0.000 0.858 445 A HN 0.004 nan 8.150 nan 0.000 0.464 446 R N 1.061 121.599 120.500 0.063 0.000 2.096 446 R HA -0.073 4.266 4.340 -0.001 0.000 0.235 446 R C -0.079 176.283 176.300 0.102 0.000 1.127 446 R CA 1.045 57.189 56.100 0.073 0.000 0.968 446 R CB -0.440 29.904 30.300 0.072 0.000 0.861 446 R HN 0.713 nan 8.270 nan 0.000 0.440 447 D N 1.271 121.743 120.400 0.120 0.000 2.389 447 D HA -0.022 4.618 4.640 -0.001 0.000 0.247 447 D C 0.163 176.532 176.300 0.114 0.000 1.128 447 D CA -0.161 53.904 54.000 0.109 0.000 0.884 447 D CB 0.952 41.811 40.800 0.099 0.000 1.194 447 D HN -0.043 nan 8.370 nan 0.000 0.441 448 L N 1.845 123.124 121.223 0.095 0.000 2.593 448 L HA -0.083 4.256 4.340 -0.001 0.000 0.287 448 L C 0.669 177.611 176.870 0.120 0.000 1.243 448 L CA 0.636 55.538 54.840 0.102 0.000 0.890 448 L CB 0.231 42.324 42.059 0.058 0.000 1.134 448 L HN 0.495 nan 8.230 nan 0.000 0.502 449 H N 3.131 122.246 119.070 0.074 0.000 2.472 449 H HA 0.159 4.714 4.556 -0.001 0.000 0.338 449 H C 0.792 176.151 175.328 0.053 0.000 1.133 449 H CA 0.168 56.256 56.048 0.066 0.000 1.216 449 H CB 2.098 31.918 29.762 0.097 0.000 1.497 449 H HN 0.791 nan 8.280 nan 0.000 0.500 450 G N 1.833 110.609 108.800 -0.039 0.000 2.469 450 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.220 450 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.220 450 G C 1.453 176.438 174.900 0.143 0.000 1.136 450 G CA 1.396 46.515 45.100 0.032 0.000 0.759 450 G HN 0.706 nan 8.290 nan 0.000 0.562 451 T N -1.595 113.116 114.554 0.261 0.000 3.072 451 T HA 0.011 4.360 4.350 -0.001 0.000 0.266 451 T C 2.039 176.797 174.700 0.097 0.000 1.127 451 T CA 1.154 63.323 62.100 0.114 0.000 1.107 451 T CB -0.146 68.672 68.868 -0.082 0.000 0.910 451 T HN 0.432 nan 8.240 nan 0.000 0.513 452 Q N -0.531 119.343 119.800 0.123 0.000 2.436 452 Q HA 0.036 4.376 4.340 -0.001 0.000 0.209 452 Q C 0.214 176.212 176.000 -0.003 0.000 0.965 452 Q CA -0.082 55.702 55.803 -0.031 0.000 0.910 452 Q CB -0.175 28.568 28.738 0.008 0.000 0.980 452 Q HN 0.735 nan 8.270 nan 0.000 0.491 453 W N 1.641 122.887 121.300 -0.089 0.000 2.879 453 W HA 0.026 4.685 4.660 -0.001 0.000 0.388 453 W C 1.010 177.462 176.519 -0.111 0.000 1.315 453 W CA 1.809 59.095 57.345 -0.098 0.000 1.400 453 W CB -0.377 29.032 29.460 -0.084 0.000 1.537 453 W HN 0.355 nan 8.180 nan 0.000 0.554 454 G N 3.343 111.895 108.800 -0.413 0.000 2.179 454 G HA2 -0.313 3.646 3.960 -0.001 0.000 0.220 454 G HA3 -0.313 3.646 3.960 -0.001 0.000 0.220 454 G C 1.209 175.972 174.900 -0.228 0.000 0.990 454 G CA 0.308 45.160 45.100 -0.413 0.000 0.646 454 G HN 0.540 nan 8.290 nan 0.000 0.517 455 R N -1.518 118.861 120.500 -0.203 0.000 2.140 455 R HA 0.484 4.824 4.340 -0.001 0.000 0.200 455 R C 0.615 176.793 176.300 -0.203 0.000 1.069 455 R CA 0.538 56.516 56.100 -0.204 0.000 1.088 455 R CB 0.131 30.256 30.300 -0.291 0.000 1.012 455 R HN 0.354 nan 8.270 nan 0.000 0.500 456 M N 0.123 119.593 119.600 -0.217 0.000 2.472 456 M HA 0.229 4.709 4.480 -0.001 0.000 0.331 456 M C -0.804 175.410 176.300 -0.142 0.000 1.170 456 M CA -1.412 53.799 55.300 -0.148 0.000 1.009 456 M CB 1.709 34.240 32.600 -0.115 0.000 1.672 456 M HN 0.064 nan 8.290 nan 0.000 0.453 457 C N 5.683 124.921 119.300 -0.105 0.000 2.632 457 C HA 0.387 4.847 4.460 -0.001 0.000 0.415 457 C C -1.202 173.706 174.990 -0.136 0.000 1.332 457 C CA -1.012 57.934 59.018 -0.120 0.000 1.874 457 C CB -0.004 27.703 27.740 -0.055 0.000 2.596 457 C HN 0.742 nan 8.230 nan 0.000 0.590 458 P HA 0.054 nan 4.420 nan 0.000 0.221 458 P C 0.919 178.057 177.300 -0.270 0.000 1.155 458 P CA 1.193 64.091 63.100 -0.338 0.000 0.812 458 P CB 0.051 31.384 31.700 -0.612 0.000 0.801 459 F N 0.018 119.946 119.950 -0.038 0.000 2.148 459 F HA 0.115 4.642 4.527 -0.001 0.000 0.285 459 F C 1.257 177.035 175.800 -0.036 0.000 1.092 459 F CA -0.107 57.864 58.000 -0.048 0.000 1.218 459 F CB -1.632 37.330 39.000 -0.064 0.000 1.059 459 F HN -0.234 nan 8.300 nan 0.000 0.490 460 E N 2.021 122.315 120.200 0.156 0.000 2.395 460 E HA -0.013 4.336 4.350 -0.001 0.000 0.237 460 E C -0.742 175.894 176.600 0.060 0.000 1.254 460 E CA 0.615 57.063 56.400 0.080 0.000 0.965 460 E CB -0.609 29.117 29.700 0.043 0.000 1.068 460 E HN 0.126 nan 8.360 nan 0.000 0.471 461 T N 3.948 118.544 114.554 0.070 0.000 3.032 461 T HA 0.285 4.634 4.350 -0.001 0.000 0.312 461 T C -2.497 172.243 174.700 0.067 0.000 1.078 461 T CA -1.217 60.920 62.100 0.061 0.000 1.028 461 T CB 2.071 70.979 68.868 0.066 0.000 1.091 461 T HN 0.188 nan 8.240 nan 0.000 0.457 462 P HA 0.339 nan 4.420 nan 0.000 0.272 462 P C -0.456 176.887 177.300 0.072 0.000 1.223 462 P CA -0.305 62.831 63.100 0.060 0.000 0.784 462 P CB 0.854 32.579 31.700 0.040 0.000 0.923 463 E N 0.045 120.294 120.200 0.082 0.000 2.312 463 E HA 0.572 4.921 4.350 -0.001 0.000 0.259 463 E C 0.788 177.424 176.600 0.060 0.000 1.122 463 E CA 0.088 56.540 56.400 0.086 0.000 0.922 463 E CB 0.051 29.813 29.700 0.103 0.000 1.109 463 E HN 0.803 nan 8.360 nan 0.000 0.442 464 G N 0.410 109.245 108.800 0.059 0.000 2.615 464 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.218 464 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.218 464 G C -1.921 173.003 174.900 0.040 0.000 1.339 464 G CA -0.464 44.663 45.100 0.045 0.000 0.884 464 G HN 0.514 nan 8.290 nan 0.000 0.559 465 P HA 0.024 nan 4.420 nan 0.000 0.223 465 P C 1.111 178.414 177.300 0.004 0.000 1.144 465 P CA 1.468 64.574 63.100 0.010 0.000 0.783 465 P CB -0.116 31.586 31.700 0.003 0.000 0.771 466 N N -1.848 116.863 118.700 0.018 0.000 2.235 466 N HA 0.031 4.770 4.740 -0.001 0.000 0.209 466 N C -0.025 175.504 175.510 0.031 0.000 1.122 466 N CA 0.079 53.140 53.050 0.019 0.000 0.845 466 N CB -0.168 38.331 38.487 0.021 0.000 1.004 466 N HN -0.130 nan 8.380 nan 0.000 0.499 467 S N -0.116 115.608 115.700 0.040 0.000 2.686 467 S HA 0.399 4.869 4.470 -0.001 0.000 0.324 467 S C 1.206 175.840 174.600 0.057 0.000 1.172 467 S CA 0.597 58.831 58.200 0.056 0.000 1.127 467 S CB -0.798 62.445 63.200 0.071 0.000 1.338 467 S HN 0.577 nan 8.310 nan 0.000 0.547 468 G N 3.935 112.767 108.800 0.055 0.000 2.481 468 G HA2 -0.194 3.766 3.960 -0.001 0.000 0.200 468 G HA3 -0.194 3.766 3.960 -0.001 0.000 0.200 468 G C 0.686 175.619 174.900 0.055 0.000 1.012 468 G CA 0.092 45.228 45.100 0.060 0.000 0.676 468 G HN 0.603 nan 8.290 nan 0.000 0.488 469 L N 0.712 121.958 121.223 0.038 0.000 2.313 469 L HA 0.393 4.732 4.340 -0.001 0.000 0.214 469 L C 1.204 178.101 176.870 0.045 0.000 1.119 469 L CA 1.074 55.933 54.840 0.032 0.000 0.809 469 L CB 0.361 42.426 42.059 0.011 0.000 0.933 469 L HN 0.275 nan 8.230 nan 0.000 0.449 470 V N 1.308 121.250 119.914 0.046 0.000 2.407 470 V HA 0.363 4.482 4.120 -0.001 0.000 0.291 470 V C -0.299 175.825 176.094 0.051 0.000 1.018 470 V CA -0.536 61.794 62.300 0.050 0.000 0.842 470 V CB 1.197 33.044 31.823 0.040 0.000 0.996 470 V HN 0.254 nan 8.190 nan 0.000 0.426 471 K N 4.990 125.425 120.400 0.058 0.000 1.995 471 K HA 0.696 5.015 4.320 -0.001 0.000 0.244 471 K C -1.060 175.564 176.600 0.039 0.000 1.045 471 K CA -1.200 55.117 56.287 0.048 0.000 0.905 471 K CB 1.142 33.675 32.500 0.055 0.000 1.543 471 K HN 0.537 nan 8.250 nan 0.000 0.609 472 N N -0.685 118.028 118.700 0.023 0.000 2.405 472 N HA 0.408 5.147 4.740 -0.001 0.000 0.285 472 N C -1.531 173.976 175.510 -0.005 0.000 1.262 472 N CA -0.714 52.345 53.050 0.015 0.000 0.773 472 N CB 1.526 40.018 38.487 0.008 0.000 1.490 472 N HN 0.341 nan 8.380 nan 0.000 0.486 473 L N 1.477 122.700 121.223 -0.000 0.000 2.319 473 L HA 0.540 4.880 4.340 -0.001 0.000 0.280 473 L C 0.584 177.441 176.870 -0.022 0.000 1.099 473 L CA -0.486 54.345 54.840 -0.016 0.000 0.828 473 L CB 0.627 42.686 42.059 -0.000 0.000 1.150 473 L HN 0.628 nan 8.230 nan 0.000 0.442 474 A N 4.977 127.765 122.820 -0.054 0.000 2.346 474 A HA 0.420 4.739 4.320 -0.001 0.000 0.252 474 A C 0.112 177.689 177.584 -0.011 0.000 1.089 474 A CA -0.522 51.478 52.037 -0.062 0.000 0.797 474 A CB 0.273 19.192 19.000 -0.134 0.000 1.047 474 A HN 0.657 nan 8.150 nan 0.000 0.494 475 L N 0.978 122.218 121.223 0.028 0.000 2.483 475 L HA 0.034 4.373 4.340 -0.001 0.000 0.275 475 L C 0.616 177.484 176.870 -0.004 0.000 1.220 475 L CA 0.345 55.259 54.840 0.124 0.000 0.833 475 L CB -0.047 42.169 42.059 0.262 0.000 1.102 475 L HN 0.900 nan 8.230 nan 0.000 0.490 476 M N 1.294 120.846 119.600 -0.079 0.000 2.350 476 M HA -0.218 4.261 4.480 -0.001 0.000 0.190 476 M C -0.613 175.596 176.300 -0.151 0.000 0.710 476 M CA 0.557 55.578 55.300 -0.465 0.000 0.495 476 M CB -1.130 31.046 32.600 -0.707 0.000 1.136 476 M HN 0.707 nan 8.290 nan 0.000 0.901 477 A N 1.662 124.503 122.820 0.036 0.000 2.385 477 A HA 0.664 4.984 4.320 -0.001 0.000 0.290 477 A C -0.535 177.128 177.584 0.130 0.000 1.094 477 A CA -0.552 51.520 52.037 0.059 0.000 0.729 477 A CB 1.494 20.490 19.000 -0.006 0.000 1.194 477 A HN 0.545 nan 8.150 nan 0.000 0.442 478 Q N 1.879 121.789 119.800 0.182 0.000 2.226 478 Q HA 0.677 5.016 4.340 -0.001 0.000 0.256 478 Q C -1.344 174.694 176.000 0.064 0.000 0.962 478 Q CA -0.667 55.212 55.803 0.126 0.000 0.887 478 Q CB 1.215 30.024 28.738 0.119 0.000 1.282 478 Q HN 0.712 nan 8.270 nan 0.000 0.449 479 I N 2.773 123.356 120.570 0.022 0.000 2.337 479 I HA 0.324 4.494 4.170 -0.001 0.000 0.285 479 I C 0.017 176.136 176.117 0.004 0.000 1.041 479 I CA -0.555 60.757 61.300 0.020 0.000 1.199 479 I CB 1.348 39.355 38.000 0.012 0.000 1.370 479 I HN 0.581 nan 8.210 nan 0.000 0.470 480 A N 5.771 128.597 122.820 0.009 0.000 2.546 480 A HA 0.245 4.564 4.320 -0.001 0.000 0.243 480 A C 0.162 177.743 177.584 -0.005 0.000 1.063 480 A CA -0.033 51.993 52.037 -0.018 0.000 0.757 480 A CB 0.345 19.346 19.000 0.001 0.000 0.991 480 A HN 0.631 nan 8.150 nan 0.000 0.503 481 V N 3.565 123.465 119.914 -0.023 0.000 2.649 481 V HA 0.617 4.736 4.120 -0.001 0.000 0.292 481 V C 0.900 176.995 176.094 0.002 0.000 1.055 481 V CA 0.171 62.468 62.300 -0.006 0.000 1.023 481 V CB 0.890 32.703 31.823 -0.016 0.000 0.992 481 V HN 1.242 nan 8.190 nan 0.000 0.480 482 G N 5.879 114.689 108.800 0.016 0.000 2.467 482 G HA2 0.534 4.493 3.960 -0.001 0.000 0.257 482 G HA3 0.534 4.493 3.960 -0.001 0.000 0.257 482 G C -0.635 174.274 174.900 0.014 0.000 1.227 482 G CA -0.610 44.503 45.100 0.021 0.000 0.835 482 G HN 0.863 nan 8.290 nan 0.000 0.556 483 I N 0.772 121.351 120.570 0.016 0.000 2.603 483 I HA 0.196 4.365 4.170 -0.001 0.000 0.300 483 I C -0.018 176.109 176.117 0.016 0.000 1.017 483 I CA -1.059 60.248 61.300 0.011 0.000 1.098 483 I CB 2.226 40.230 38.000 0.008 0.000 1.279 483 I HN 0.386 nan 8.210 nan 0.000 0.437 484 N N 2.994 121.702 118.700 0.013 0.000 2.508 484 N HA 0.015 4.754 4.740 -0.001 0.000 0.264 484 N C 0.871 176.390 175.510 0.015 0.000 1.216 484 N CA 0.379 53.438 53.050 0.015 0.000 0.943 484 N CB 0.958 39.452 38.487 0.011 0.000 1.113 484 N HN 0.554 nan 8.380 nan 0.000 0.447 485 E N 1.645 121.857 120.200 0.019 0.000 2.031 485 E HA -0.193 4.157 4.350 -0.001 0.000 0.193 485 E C 0.641 177.250 176.600 0.013 0.000 0.994 485 E CA 1.267 57.678 56.400 0.018 0.000 0.800 485 E CB 0.049 29.763 29.700 0.024 0.000 0.752 485 E HN 0.576 nan 8.360 nan 0.000 0.447 486 K N 0.388 120.798 120.400 0.017 0.000 2.574 486 K HA -0.056 4.264 4.320 -0.001 0.000 0.193 486 K C 1.598 178.209 176.600 0.018 0.000 1.035 486 K CA 0.178 56.478 56.287 0.022 0.000 0.982 486 K CB 0.196 32.709 32.500 0.021 0.000 0.795 486 K HN 0.145 nan 8.250 nan 0.000 0.491 487 I N -0.366 120.210 120.570 0.009 0.000 2.494 487 I HA -0.127 4.042 4.170 -0.001 0.000 0.250 487 I C 2.041 178.155 176.117 -0.005 0.000 1.112 487 I CA 0.934 62.236 61.300 0.004 0.000 1.438 487 I CB -0.687 37.314 38.000 0.002 0.000 1.111 487 I HN -0.118 nan 8.210 nan 0.000 0.431 488 V N 2.083 121.990 119.914 -0.012 0.000 2.379 488 V HA -0.197 3.923 4.120 -0.001 0.000 0.245 488 V C 2.517 178.570 176.094 -0.067 0.000 1.044 488 V CA 1.813 64.093 62.300 -0.033 0.000 1.036 488 V CB -0.803 31.005 31.823 -0.025 0.000 0.664 488 V HN 0.528 nan 8.190 nan 0.000 0.453 489 E N 0.629 120.797 120.200 -0.053 0.000 2.152 489 E HA -0.187 4.162 4.350 -0.001 0.000 0.192 489 E C 1.844 178.422 176.600 -0.036 0.000 0.983 489 E CA 0.915 57.256 56.400 -0.098 0.000 0.818 489 E CB -0.280 29.413 29.700 -0.013 0.000 0.758 489 E HN 0.489 nan 8.360 nan 0.000 0.467 490 K N 0.316 120.740 120.400 0.039 0.000 2.525 490 K HA 0.051 4.370 4.320 -0.001 0.000 0.192 490 K C 0.689 177.319 176.600 0.050 0.000 1.029 490 K CA 0.956 57.300 56.287 0.096 0.000 1.029 490 K CB 0.343 32.881 32.500 0.063 0.000 0.814 490 K HN 0.155 nan 8.250 nan 0.000 0.503 491 T N 0.092 114.633 114.554 -0.022 0.000 2.975 491 T HA 0.172 4.521 4.350 -0.001 0.000 0.257 491 T C 1.588 176.219 174.700 -0.114 0.000 1.003 491 T CA -0.199 61.874 62.100 -0.044 0.000 0.932 491 T CB 0.333 69.175 68.868 -0.043 0.000 1.087 491 T HN 0.044 nan 8.240 nan 0.000 0.512 492 L N 0.096 121.183 121.223 -0.227 0.000 2.072 492 L HA 0.006 4.345 4.340 -0.001 0.000 0.205 492 L C 1.893 178.554 176.870 -0.348 0.000 1.079 492 L CA 1.441 56.062 54.840 -0.365 0.000 0.752 492 L CB -0.524 41.207 42.059 -0.546 0.000 0.906 492 L HN 0.284 nan 8.230 nan 0.000 0.436 493 Y N 0.016 120.258 120.300 -0.098 0.000 2.616 493 Y HA -0.120 4.430 4.550 -0.001 0.000 0.296 493 Y C 2.213 178.070 175.900 -0.071 0.000 1.154 493 Y CA 0.483 58.535 58.100 -0.081 0.000 1.325 493 Y CB -0.502 37.927 38.460 -0.052 0.000 1.007 493 Y HN 0.260 nan 8.280 nan 0.000 0.542 494 E N -0.725 119.498 120.200 0.037 0.000 2.442 494 E HA 0.029 4.379 4.350 -0.001 0.000 0.195 494 E C 1.180 177.762 176.600 -0.029 0.000 1.030 494 E CA 0.405 56.813 56.400 0.014 0.000 0.869 494 E CB 0.032 29.735 29.700 0.006 0.000 0.857 494 E HN 0.495 nan 8.360 nan 0.000 0.505 495 M N -0.805 118.730 119.600 -0.108 0.000 2.405 495 M HA 0.222 4.701 4.480 -0.001 0.000 0.292 495 M C 0.701 176.820 176.300 -0.301 0.000 1.111 495 M CA 0.099 55.300 55.300 -0.165 0.000 0.979 495 M CB 1.511 33.982 32.600 -0.214 0.000 1.426 495 M HN 0.252 nan 8.290 nan 0.000 0.509 496 G N 0.114 108.813 108.800 -0.168 0.000 2.211 496 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.201 496 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.201 496 G C 0.015 174.947 174.900 0.053 0.000 0.997 496 G CA -0.544 44.574 45.100 0.030 0.000 0.652 496 G HN 0.216 nan 8.290 nan 0.000 0.500 497 V N 1.801 121.596 119.914 -0.199 0.000 2.509 497 V HA 0.316 4.435 4.120 -0.001 0.000 0.297 497 V C 0.863 177.104 176.094 0.245 0.000 1.014 497 V CA 0.254 62.523 62.300 -0.052 0.000 1.127 497 V CB 1.384 33.015 31.823 -0.320 0.000 0.925 497 V HN 0.292 nan 8.190 nan 0.000 0.480 498 V N 9.077 129.150 119.914 0.265 0.000 2.311 498 V HA 0.298 4.418 4.120 -0.001 0.000 0.275 498 V C -1.732 174.527 176.094 0.275 0.000 1.022 498 V CA -1.699 60.752 62.300 0.252 0.000 0.830 498 V CB 1.413 33.343 31.823 0.179 0.000 1.012 498 V HN 0.747 nan 8.190 nan 0.000 0.452 499 P HA 0.056 nan 4.420 nan 0.000 0.270 499 P C 1.131 178.534 177.300 0.172 0.000 1.227 499 P CA 0.079 63.312 63.100 0.222 0.000 0.788 499 P CB 1.093 32.834 31.700 0.068 0.000 0.926 500 V N 0.714 120.725 119.914 0.161 0.000 2.490 500 V HA -0.214 3.905 4.120 -0.001 0.000 0.250 500 V C 2.574 178.720 176.094 0.087 0.000 1.061 500 V CA 1.965 64.407 62.300 0.236 0.000 1.064 500 V CB -1.443 30.530 31.823 0.250 0.000 0.670 500 V HN 0.667 nan 8.190 nan 0.000 0.461 501 E N 0.334 120.505 120.200 -0.048 0.000 2.097 501 E HA -0.320 4.029 4.350 -0.001 0.000 0.196 501 E C 2.279 178.870 176.600 -0.015 0.000 1.000 501 E CA 1.954 58.306 56.400 -0.080 0.000 0.804 501 E CB -0.031 29.586 29.700 -0.139 0.000 0.740 501 E HN 0.770 nan 8.360 nan 0.000 0.454 502 E N -0.331 119.865 120.200 -0.008 0.000 2.051 502 E HA -0.119 4.230 4.350 -0.001 0.000 0.189 502 E C 2.025 178.619 176.600 -0.010 0.000 0.979 502 E CA 1.099 57.492 56.400 -0.012 0.000 0.803 502 E CB 0.249 29.942 29.700 -0.012 0.000 0.761 502 E HN 0.169 nan 8.360 nan 0.000 0.451 503 V N 1.899 121.814 119.914 0.002 0.000 3.078 503 V HA -0.195 3.924 4.120 -0.001 0.000 0.265 503 V C 2.180 178.245 176.094 -0.049 0.000 1.122 503 V CA 0.698 62.961 62.300 -0.062 0.000 1.141 503 V CB -0.424 31.310 31.823 -0.148 0.000 0.735 503 V HN 0.359 nan 8.190 nan 0.000 0.498 504 I N 1.237 121.820 120.570 0.022 0.000 2.333 504 I HA -0.075 4.095 4.170 -0.001 0.000 0.246 504 I C 2.289 178.401 176.117 -0.008 0.000 1.106 504 I CA 1.443 62.771 61.300 0.048 0.000 1.411 504 I CB -0.733 37.354 38.000 0.145 0.000 1.082 504 I HN 0.468 nan 8.210 nan 0.000 0.420 505 R N 0.778 121.270 120.500 -0.013 0.000 2.552 505 R HA 0.192 4.531 4.340 -0.001 0.000 0.314 505 R C 1.460 177.731 176.300 -0.049 0.000 1.041 505 R CA -0.006 56.073 56.100 -0.035 0.000 1.076 505 R CB -0.183 30.105 30.300 -0.021 0.000 1.290 505 R HN 0.045 nan 8.270 nan 0.000 0.563 506 R N 1.407 121.872 120.500 -0.058 0.000 2.466 506 R HA 0.126 4.466 4.340 -0.001 0.000 0.279 506 R C 0.145 176.395 176.300 -0.082 0.000 0.976 506 R CA -0.065 55.996 56.100 -0.065 0.000 1.081 506 R CB 0.480 30.740 30.300 -0.066 0.000 1.215 506 R HN 0.229 nan 8.270 nan 0.000 0.546 520 W N 1.469 122.803 121.300 0.057 0.000 2.632 520 W HA 0.625 5.284 4.660 -0.001 0.000 0.328 520 W C -0.298 176.301 176.519 0.133 0.000 1.044 520 W CA -0.788 56.619 57.345 0.102 0.000 1.225 520 W CB 2.177 31.677 29.460 0.067 0.000 1.396 520 W HN 0.155 nan 8.180 nan 0.000 0.499 521 S N 2.271 118.268 115.700 0.495 0.000 2.663 521 S HA -0.091 4.378 4.470 -0.001 0.000 0.854 521 S C -0.790 173.987 174.600 0.295 0.000 0.745 521 S CA -0.862 57.550 58.200 0.352 0.000 1.605 521 S CB -0.647 62.720 63.200 0.278 0.000 1.155 521 S HN 0.519 nan 8.310 nan 0.000 0.330 522 K N 2.685 123.202 120.400 0.197 0.000 2.098 522 K HA 0.677 4.996 4.320 -0.001 0.000 0.257 522 K C -0.302 176.245 176.600 -0.089 0.000 0.999 522 K CA -0.828 55.421 56.287 -0.063 0.000 0.924 522 K CB 1.377 33.819 32.500 -0.096 0.000 1.028 522 K HN 0.352 nan 8.250 nan 0.000 0.466 523 V N 3.418 123.194 119.914 -0.230 0.000 2.487 523 V HA 0.360 4.479 4.120 -0.001 0.000 0.298 523 V C -0.672 175.255 176.094 -0.279 0.000 1.028 523 V CA -0.791 61.392 62.300 -0.195 0.000 0.860 523 V CB 1.310 33.028 31.823 -0.175 0.000 0.991 523 V HN 0.534 nan 8.190 nan 0.000 0.427 524 I N 5.640 126.045 120.570 -0.276 0.000 2.569 524 I HA 0.488 4.658 4.170 -0.001 0.000 0.296 524 I C -0.718 175.315 176.117 -0.141 0.000 1.028 524 I CA -0.529 60.607 61.300 -0.273 0.000 1.082 524 I CB 2.004 39.784 38.000 -0.366 0.000 1.264 524 I HN 0.270 nan 8.210 nan 0.000 0.429 525 L N 6.782 127.965 121.223 -0.066 0.000 2.401 525 L HA 0.478 4.818 4.340 -0.001 0.000 0.263 525 L C -0.680 176.233 176.870 0.071 0.000 1.004 525 L CA -0.230 54.608 54.840 -0.003 0.000 0.881 525 L CB 0.154 42.195 42.059 -0.030 0.000 1.219 525 L HN 0.754 nan 8.230 nan 0.000 0.441 526 N N 3.591 122.355 118.700 0.107 0.000 2.727 526 N HA -0.189 4.551 4.740 -0.001 0.000 0.251 526 N C 0.959 176.589 175.510 0.199 0.000 1.040 526 N CA 1.174 54.310 53.050 0.142 0.000 0.712 526 N CB -1.251 37.307 38.487 0.118 0.000 0.912 526 N HN 1.021 nan 8.380 nan 0.000 0.545 527 G N -0.338 108.595 108.800 0.223 0.000 2.176 527 G HA2 -0.350 3.609 3.960 -0.001 0.000 0.252 527 G HA3 -0.350 3.609 3.960 -0.001 0.000 0.252 527 G C -0.056 175.085 174.900 0.401 0.000 1.024 527 G CA 0.634 45.916 45.100 0.302 0.000 0.755 527 G HN 0.850 nan 8.290 nan 0.000 0.507 528 R N -0.265 120.383 120.500 0.246 0.000 2.514 528 R HA 0.577 4.916 4.340 -0.001 0.000 0.296 528 R C -0.356 175.871 176.300 -0.122 0.000 1.012 528 R CA -1.151 55.099 56.100 0.249 0.000 0.897 528 R CB 0.815 31.302 30.300 0.312 0.000 1.184 528 R HN 0.184 nan 8.270 nan 0.000 0.440 529 L N 5.729 126.675 121.223 -0.461 0.000 2.418 529 L HA 0.090 4.429 4.340 -0.001 0.000 0.274 529 L C 0.465 177.165 176.870 -0.283 0.000 1.135 529 L CA -0.094 54.369 54.840 -0.629 0.000 0.870 529 L CB 1.430 42.861 42.059 -1.047 0.000 1.154 529 L HN 0.702 nan 8.230 nan 0.000 0.462 530 V N 4.581 124.344 119.914 -0.253 0.000 2.490 530 V HA 0.339 4.458 4.120 -0.001 0.000 0.238 530 V C 1.002 177.041 176.094 -0.091 0.000 1.056 530 V CA 1.163 63.385 62.300 -0.129 0.000 1.075 530 V CB 0.548 32.267 31.823 -0.175 0.000 0.746 530 V HN 0.965 nan 8.190 nan 0.000 0.479 531 G N -2.544 106.125 108.800 -0.217 0.000 2.604 531 G HA2 0.468 4.427 3.960 -0.001 0.000 0.242 531 G HA3 0.468 4.427 3.960 -0.001 0.000 0.242 531 G C -1.896 172.708 174.900 -0.493 0.000 1.208 531 G CA -0.369 44.636 45.100 -0.158 0.000 0.912 531 G HN 0.019 nan 8.290 nan 0.000 0.502 532 Y N -1.762 118.583 120.300 0.075 0.000 2.833 532 Y HA 0.820 5.369 4.550 -0.001 0.000 0.319 532 Y C -0.841 175.178 175.900 0.198 0.000 1.254 532 Y CA -0.913 57.247 58.100 0.100 0.000 1.138 532 Y CB 2.164 40.652 38.460 0.046 0.000 1.352 532 Y HN 0.778 nan 8.280 nan 0.000 0.546 533 Y N 0.062 120.467 120.300 0.176 0.000 2.167 533 Y HA 0.180 4.729 4.550 -0.001 0.000 0.318 533 Y C -1.108 174.845 175.900 0.087 0.000 1.394 533 Y CA -1.321 56.833 58.100 0.090 0.000 1.505 533 Y CB 0.493 38.979 38.460 0.043 0.000 1.264 533 Y HN 0.698 nan 8.280 nan 0.000 0.415 534 R N 4.059 124.301 120.500 -0.430 0.000 2.694 534 R HA 0.316 4.656 4.340 -0.001 0.000 0.268 534 R C -0.690 175.334 176.300 -0.460 0.000 1.061 534 R CA 0.927 56.836 56.100 -0.320 0.000 1.133 534 R CB 0.394 30.556 30.300 -0.229 0.000 1.020 534 R HN 0.837 nan 8.270 nan 0.000 0.475 535 D N 1.002 121.302 120.400 -0.166 0.000 5.167 535 D HA -0.113 4.526 4.640 -0.001 0.000 0.237 535 D C 0.394 176.632 176.300 -0.104 0.000 1.278 535 D CA 1.122 55.052 54.000 -0.117 0.000 1.266 535 D CB -0.299 40.412 40.800 -0.148 0.000 0.704 535 D HN 0.807 nan 8.370 nan 0.000 0.350 536 G N 3.583 112.340 108.800 -0.072 0.000 2.453 536 G HA2 -0.125 3.835 3.960 -0.001 0.000 0.215 536 G HA3 -0.125 3.835 3.960 -0.001 0.000 0.215 536 G C 1.254 175.711 174.900 -0.738 0.000 1.147 536 G CA 0.829 45.763 45.100 -0.277 0.000 0.802 536 G HN 0.580 nan 8.290 nan 0.000 0.535 537 E N 0.552 120.411 120.200 -0.569 0.000 2.072 537 E HA -0.084 4.266 4.350 -0.001 0.000 0.191 537 E C 2.319 178.843 176.600 -0.128 0.000 0.985 537 E CA 0.880 57.079 56.400 -0.335 0.000 0.801 537 E CB -0.065 29.574 29.700 -0.102 0.000 0.750 537 E HN 0.515 nan 8.360 nan 0.000 0.452 538 E N 0.860 121.026 120.200 -0.057 0.000 2.077 538 E HA -0.166 4.184 4.350 -0.001 0.000 0.193 538 E C 2.160 178.824 176.600 0.106 0.000 0.989 538 E CA 0.500 56.922 56.400 0.036 0.000 0.800 538 E CB -0.073 29.658 29.700 0.052 0.000 0.746 538 E HN 0.172 nan 8.360 nan 0.000 0.452 539 L N 0.694 122.038 121.223 0.201 0.000 2.127 539 L HA -0.180 4.160 4.340 -0.001 0.000 0.211 539 L C 2.212 179.103 176.870 0.035 0.000 1.089 539 L CA 1.672 56.613 54.840 0.168 0.000 0.757 539 L CB -0.667 41.524 42.059 0.221 0.000 0.899 539 L HN 0.079 nan 8.230 nan 0.000 0.434 540 A N -0.386 122.439 122.820 0.010 0.000 1.897 540 A HA -0.183 4.136 4.320 -0.001 0.000 0.215 540 A C 2.288 179.890 177.584 0.030 0.000 1.181 540 A CA 1.213 53.263 52.037 0.021 0.000 0.620 540 A CB -0.276 18.736 19.000 0.020 0.000 0.821 540 A HN 0.359 nan 8.150 nan 0.000 0.443 541 K N -0.136 120.278 120.400 0.023 0.000 2.097 541 K HA -0.078 4.242 4.320 -0.001 0.000 0.205 541 K C 2.030 178.646 176.600 0.027 0.000 1.050 541 K CA 1.329 57.633 56.287 0.028 0.000 0.938 541 K CB -0.116 32.397 32.500 0.022 0.000 0.718 541 K HN 0.385 nan 8.250 nan 0.000 0.442 542 K N 0.734 121.150 120.400 0.027 0.000 2.025 542 K HA -0.053 4.266 4.320 -0.001 0.000 0.207 542 K C 2.026 178.630 176.600 0.007 0.000 1.049 542 K CA 1.159 57.457 56.287 0.018 0.000 0.933 542 K CB -0.066 32.445 32.500 0.019 0.000 0.714 542 K HN 0.112 nan 8.250 nan 0.000 0.438 543 I N 0.502 121.073 120.570 0.002 0.000 2.493 543 I HA -0.209 3.960 4.170 -0.001 0.000 0.254 543 I C 2.237 178.367 176.117 0.021 0.000 1.160 543 I CA 0.944 62.245 61.300 0.001 0.000 1.445 543 I CB -0.203 37.795 38.000 -0.004 0.000 1.086 543 I HN 0.109 nan 8.210 nan 0.000 0.433 544 R N 0.875 121.394 120.500 0.033 0.000 2.073 544 R HA -0.088 4.252 4.340 -0.001 0.000 0.229 544 R C 2.043 178.364 176.300 0.036 0.000 1.120 544 R CA 1.147 57.274 56.100 0.046 0.000 0.967 544 R CB -0.078 30.256 30.300 0.057 0.000 0.862 544 R HN 0.402 nan 8.270 nan 0.000 0.436 545 E N -0.130 120.085 120.200 0.025 0.000 2.285 545 E HA -0.079 4.271 4.350 -0.001 0.000 0.194 545 E C 1.924 178.532 176.600 0.014 0.000 0.997 545 E CA 0.463 56.873 56.400 0.018 0.000 0.845 545 E CB 0.177 29.886 29.700 0.014 0.000 0.782 545 E HN 0.229 nan 8.360 nan 0.000 0.491 546 R N 0.575 121.083 120.500 0.013 0.000 2.115 546 R HA 0.019 4.359 4.340 -0.001 0.000 0.226 546 R C 2.398 178.706 176.300 0.013 0.000 1.100 546 R CA 0.589 56.694 56.100 0.009 0.000 0.980 546 R CB -0.042 30.260 30.300 0.003 0.000 0.875 546 R HN -0.031 nan 8.270 nan 0.000 0.445 547 R N 1.070 121.582 120.500 0.021 0.000 2.148 547 R HA -0.060 4.279 4.340 -0.001 0.000 0.223 547 R C 1.716 178.034 176.300 0.030 0.000 1.088 547 R CA 1.208 57.325 56.100 0.029 0.000 0.985 547 R CB 0.111 30.437 30.300 0.043 0.000 0.880 547 R HN 0.159 nan 8.270 nan 0.000 0.451 548 R N -0.054 120.461 120.500 0.026 0.000 2.075 548 R HA 0.015 4.355 4.340 -0.001 0.000 0.226 548 R C 1.935 178.240 176.300 0.009 0.000 1.114 548 R CA 0.945 57.057 56.100 0.019 0.000 0.972 548 R CB 0.016 30.324 30.300 0.014 0.000 0.869 548 R HN -0.041 nan 8.270 nan 0.000 0.437 549 K N -0.490 119.914 120.400 0.007 0.000 2.486 549 K HA 0.102 4.422 4.320 -0.001 0.000 0.194 549 K C 0.985 177.587 176.600 0.003 0.000 1.033 549 K CA 0.917 57.206 56.287 0.002 0.000 1.004 549 K CB 0.433 32.934 32.500 0.002 0.000 0.798 549 K HN 0.455 nan 8.250 nan 0.000 0.495 550 G N 1.575 110.379 108.800 0.007 0.000 2.132 550 G HA2 -0.289 3.671 3.960 -0.001 0.000 0.234 550 G HA3 -0.289 3.671 3.960 -0.001 0.000 0.234 550 G C 0.744 175.646 174.900 0.004 0.000 0.989 550 G CA 0.511 45.615 45.100 0.006 0.000 0.676 550 G HN 0.413 nan 8.290 nan 0.000 0.522 551 E N -0.989 119.213 120.200 0.003 0.000 2.076 551 E HA 0.150 4.499 4.350 -0.001 0.000 0.190 551 E C 1.040 177.640 176.600 0.000 0.000 0.979 551 E CA 0.414 56.814 56.400 0.001 0.000 0.807 551 E CB 0.107 29.807 29.700 0.000 0.000 0.761 551 E HN 0.541 nan 8.360 nan 0.000 0.454 552 I N 0.163 120.734 120.570 0.002 0.000 2.577 552 I HA 0.077 4.247 4.170 -0.001 0.000 0.305 552 I C -0.007 176.113 176.117 0.006 0.000 0.986 552 I CA -0.306 60.995 61.300 0.001 0.000 1.189 552 I CB 1.673 39.671 38.000 -0.002 0.000 1.355 552 I HN -0.172 nan 8.210 nan 0.000 0.476 553 S N 3.147 118.850 115.700 0.005 0.000 2.559 553 S HA -0.048 4.422 4.470 -0.001 0.000 0.282 553 S C 0.797 175.407 174.600 0.016 0.000 1.336 553 S CA 0.076 58.280 58.200 0.006 0.000 1.037 553 S CB 0.190 63.392 63.200 0.003 0.000 0.853 553 S HN 0.687 nan 8.310 nan 0.000 0.523 554 D N 2.238 122.647 120.400 0.016 0.000 2.263 554 D HA -0.037 4.603 4.640 -0.001 0.000 0.208 554 D C 0.695 177.019 176.300 0.039 0.000 0.971 554 D CA 1.189 55.209 54.000 0.033 0.000 0.867 554 D CB 0.035 40.850 40.800 0.024 0.000 0.929 554 D HN 0.716 nan 8.370 nan 0.000 0.492 555 E N 0.097 120.307 120.200 0.018 0.000 2.511 555 E HA 0.180 4.529 4.350 -0.001 0.000 0.214 555 E C -0.772 175.847 176.600 0.032 0.000 1.062 555 E CA -0.122 56.289 56.400 0.019 0.000 1.213 555 E CB 1.203 30.897 29.700 -0.011 0.000 1.214 555 E HN -0.073 nan 8.360 nan 0.000 0.441 556 V N 1.810 121.748 119.914 0.040 0.000 2.326 556 V HA 0.216 4.335 4.120 -0.001 0.000 0.281 556 V C -0.384 175.744 176.094 0.057 0.000 1.015 556 V CA -0.891 61.433 62.300 0.039 0.000 0.823 556 V CB 0.992 32.828 31.823 0.022 0.000 1.009 556 V HN 0.278 nan 8.190 nan 0.000 0.436 557 N N 3.309 122.050 118.700 0.068 0.000 2.430 557 N HA 0.714 5.453 4.740 -0.001 0.000 0.292 557 N C -1.091 174.472 175.510 0.089 0.000 1.051 557 N CA -0.612 52.490 53.050 0.085 0.000 0.917 557 N CB 2.536 41.081 38.487 0.096 0.000 1.164 557 N HN 0.400 nan 8.380 nan 0.000 0.484 558 V N 0.860 120.832 119.914 0.097 0.000 2.531 558 V HA 0.723 4.843 4.120 -0.001 0.000 0.301 558 V C 0.250 176.428 176.094 0.140 0.000 1.034 558 V CA -0.760 61.607 62.300 0.111 0.000 0.865 558 V CB 1.737 33.610 31.823 0.084 0.000 0.995 558 V HN 0.823 nan 8.190 nan 0.000 0.424 559 G N 1.539 110.443 108.800 0.173 0.000 2.452 559 G HA2 0.589 4.549 3.960 -0.001 0.000 0.324 559 G HA3 0.589 4.549 3.960 -0.001 0.000 0.324 559 G C -1.586 173.469 174.900 0.259 0.000 1.214 559 G CA -0.525 44.684 45.100 0.182 0.000 0.947 559 G HN 0.829 nan 8.290 nan 0.000 0.478 560 H N 1.931 121.078 119.070 0.128 0.000 2.708 560 H HA 0.520 5.076 4.556 -0.001 0.000 0.320 560 H C -0.609 174.792 175.328 0.121 0.000 0.991 560 H CA -0.899 55.229 56.048 0.134 0.000 1.243 560 H CB 0.686 30.513 29.762 0.109 0.000 1.446 560 H HN 0.293 nan 8.280 nan 0.000 0.502 561 I N 7.073 127.589 120.570 -0.089 0.000 2.307 561 I HA 0.096 4.265 4.170 -0.001 0.000 0.289 561 I C 0.527 176.506 176.117 -0.231 0.000 1.021 561 I CA -0.443 60.791 61.300 -0.111 0.000 1.224 561 I CB 1.377 39.390 38.000 0.022 0.000 1.376 561 I HN 0.484 nan 8.210 nan 0.000 0.470 562 V N 4.121 123.876 119.914 -0.266 0.000 2.339 562 V HA -0.035 4.085 4.120 -0.001 0.000 0.234 562 V C 1.093 177.135 176.094 -0.086 0.000 1.053 562 V CA 1.200 63.363 62.300 -0.229 0.000 1.042 562 V CB -0.727 30.987 31.823 -0.182 0.000 0.678 562 V HN 1.016 nan 8.190 nan 0.000 0.475 563 T N 0.113 114.636 114.554 -0.052 0.000 0.541 563 T HA -0.272 4.078 4.350 -0.001 0.000 0.774 563 T C 0.355 175.003 174.700 -0.086 0.000 0.992 563 T CA 0.996 63.086 62.100 -0.017 0.000 4.077 563 T CB -1.099 67.805 68.868 0.060 0.000 2.303 563 T HN 0.585 nan 8.240 nan 0.000 0.398 564 D N -0.532 119.774 120.400 -0.157 0.000 2.479 564 D HA 0.265 4.905 4.640 -0.001 0.000 0.221 564 D C 1.425 177.360 176.300 -0.607 0.000 1.104 564 D CA 0.476 54.209 54.000 -0.444 0.000 0.849 564 D CB 0.221 40.609 40.800 -0.688 0.000 1.072 564 D HN 0.403 nan 8.370 nan 0.000 0.502 565 F N 0.726 120.652 119.950 -0.040 0.000 2.680 565 F HA 0.248 4.774 4.527 -0.001 0.000 0.290 565 F C 0.812 176.600 175.800 -0.020 0.000 1.114 565 F CA -0.314 57.663 58.000 -0.039 0.000 1.333 565 F CB 0.528 39.513 39.000 -0.024 0.000 1.091 565 F HN -0.183 nan 8.300 nan 0.000 0.606 566 I N -1.542 119.125 120.570 0.161 0.000 2.410 566 I HA 0.488 4.658 4.170 -0.001 0.000 0.286 566 I C -0.860 175.309 176.117 0.087 0.000 1.009 566 I CA -0.880 60.497 61.300 0.129 0.000 1.111 566 I CB 1.310 39.394 38.000 0.140 0.000 1.262 566 I HN -0.164 nan 8.210 nan 0.000 0.443 567 N N 5.343 124.109 118.700 0.110 0.000 2.546 567 N HA 0.391 5.130 4.740 -0.001 0.000 0.238 567 N C -1.158 174.462 175.510 0.183 0.000 0.984 567 N CA -0.205 52.918 53.050 0.123 0.000 0.935 567 N CB 0.762 39.344 38.487 0.158 0.000 1.122 567 N HN 0.793 nan 8.380 nan 0.000 0.510 568 E N 0.750 121.044 120.200 0.157 0.000 2.336 568 E HA 0.556 4.906 4.350 -0.001 0.000 0.267 568 E C -1.003 175.740 176.600 0.239 0.000 0.906 568 E CA -1.094 55.405 56.400 0.165 0.000 0.781 568 E CB 2.362 32.152 29.700 0.151 0.000 1.261 568 E HN 0.094 nan 8.360 nan 0.000 0.436 569 V N 2.351 122.354 119.914 0.150 0.000 2.409 569 V HA 0.201 4.321 4.120 -0.001 0.000 0.290 569 V C -0.709 175.405 176.094 0.034 0.000 1.017 569 V CA -0.783 61.633 62.300 0.193 0.000 0.841 569 V CB 1.108 33.034 31.823 0.171 0.000 1.003 569 V HN 0.631 nan 8.190 nan 0.000 0.426 570 H N 3.302 122.427 119.070 0.092 0.000 2.562 570 H HA 0.460 5.016 4.556 -0.001 0.000 0.314 570 H C -0.783 174.575 175.328 0.049 0.000 1.079 570 H CA -0.289 55.796 56.048 0.062 0.000 1.349 570 H CB 2.318 32.119 29.762 0.065 0.000 1.432 570 H HN 0.405 nan 8.280 nan 0.000 0.479 571 V N 5.181 125.152 119.914 0.094 0.000 2.275 571 V HA 0.081 4.201 4.120 -0.001 0.000 0.272 571 V C -0.079 176.066 176.094 0.086 0.000 1.028 571 V CA -0.899 61.442 62.300 0.068 0.000 0.810 571 V CB 0.535 32.358 31.823 -0.001 0.000 1.043 571 V HN 0.663 nan 8.190 nan 0.000 0.453 572 N N 3.100 121.867 118.700 0.112 0.000 2.456 572 N HA 0.560 5.299 4.740 -0.001 0.000 0.288 572 N C 0.191 175.747 175.510 0.078 0.000 1.059 572 N CA -0.492 52.622 53.050 0.106 0.000 0.946 572 N CB 1.593 40.150 38.487 0.117 0.000 1.150 572 N HN 0.891 nan 8.380 nan 0.000 0.479 573 C N -0.673 118.668 119.300 0.068 0.000 3.797 573 C HA 0.257 4.717 4.460 -0.001 0.000 0.321 573 C C -0.257 174.763 174.990 0.049 0.000 2.729 573 C CA -0.968 58.081 59.018 0.053 0.000 1.592 573 C CB -1.095 26.667 27.740 0.038 0.000 3.301 573 C HN 0.693 nan 8.230 nan 0.000 0.365 574 D N 1.190 121.625 120.400 0.058 0.000 2.432 574 D HA 0.362 5.002 4.640 -0.001 0.000 0.258 574 D C -0.203 176.129 176.300 0.052 0.000 1.146 574 D CA -0.093 53.940 54.000 0.055 0.000 1.015 574 D CB 1.644 42.482 40.800 0.063 0.000 1.107 574 D HN 0.211 nan 8.370 nan 0.000 0.529 575 S N -1.981 113.749 115.700 0.050 0.000 2.548 575 S HA 0.481 4.951 4.470 -0.001 0.000 0.277 575 S C 0.918 175.553 174.600 0.057 0.000 1.315 575 S CA 0.629 58.858 58.200 0.048 0.000 1.050 575 S CB -0.095 63.134 63.200 0.048 0.000 0.918 575 S HN 0.886 nan 8.310 nan 0.000 0.497 576 G N 4.390 113.225 108.800 0.058 0.000 2.284 576 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.201 576 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.201 576 G C 0.041 174.991 174.900 0.084 0.000 0.998 576 G CA -0.498 44.644 45.100 0.069 0.000 0.651 576 G HN 0.739 nan 8.290 nan 0.000 0.489 577 R N 0.201 120.751 120.500 0.082 0.000 2.679 577 R HA 0.448 4.787 4.340 -0.001 0.000 0.268 577 R C -0.059 176.299 176.300 0.096 0.000 1.044 577 R CA 0.209 56.370 56.100 0.102 0.000 1.105 577 R CB 1.062 31.419 30.300 0.095 0.000 0.989 577 R HN 0.102 nan 8.270 nan 0.000 0.447 578 V N 3.771 123.751 119.914 0.110 0.000 2.417 578 V HA 0.423 4.542 4.120 -0.001 0.000 0.291 578 V C 0.052 176.179 176.094 0.055 0.000 1.024 578 V CA -0.722 61.617 62.300 0.064 0.000 0.861 578 V CB 1.200 33.032 31.823 0.014 0.000 0.985 578 V HN 0.816 nan 8.190 nan 0.000 0.436 579 R N 3.527 124.073 120.500 0.077 0.000 2.837 579 R HA 0.891 5.230 4.340 -0.001 0.000 0.271 579 R C -0.810 175.569 176.300 0.132 0.000 0.993 579 R CA -1.160 55.014 56.100 0.124 0.000 0.931 579 R CB 2.336 32.759 30.300 0.204 0.000 1.206 579 R HN 0.631 nan 8.270 nan 0.000 0.474 580 R N 1.431 121.987 120.500 0.092 0.000 2.534 580 R HA 0.496 4.835 4.340 -0.001 0.000 0.301 580 R C -2.727 173.512 176.300 -0.102 0.000 0.961 580 R CA -1.814 54.284 56.100 -0.004 0.000 0.871 580 R CB 2.153 32.439 30.300 -0.023 0.000 1.170 580 R HN 0.466 nan 8.270 nan 0.000 0.446 581 P HA 0.269 nan 4.420 nan 0.000 0.293 581 P C -1.148 176.027 177.300 -0.209 0.000 1.313 581 P CA -0.287 62.529 63.100 -0.473 0.000 0.787 581 P CB 1.015 32.389 31.700 -0.543 0.000 0.910 582 L N 3.729 124.874 121.223 -0.131 0.000 2.381 582 L HA 0.500 4.839 4.340 -0.001 0.000 0.268 582 L C 0.258 177.168 176.870 0.067 0.000 0.997 582 L CA -1.362 53.478 54.840 0.001 0.000 0.818 582 L CB 1.918 43.988 42.059 0.018 0.000 1.310 582 L HN 0.171 nan 8.230 nan 0.000 0.416 583 I N 3.194 123.800 120.570 0.059 0.000 2.618 583 I HA 0.076 4.245 4.170 -0.001 0.000 0.284 583 I C 0.316 176.469 176.117 0.060 0.000 1.146 583 I CA 0.291 61.608 61.300 0.029 0.000 1.425 583 I CB 0.522 38.528 38.000 0.009 0.000 1.383 583 I HN 0.411 nan 8.210 nan 0.000 0.562 584 I N 6.764 127.332 120.570 -0.003 0.000 2.301 584 I HA 0.189 4.358 4.170 -0.001 0.000 0.292 584 I C -0.033 176.012 176.117 -0.120 0.000 1.046 584 I CA -0.404 60.829 61.300 -0.112 0.000 1.282 584 I CB 0.889 38.842 38.000 -0.078 0.000 1.409 584 I HN 0.160 nan 8.210 nan 0.000 0.484 585 V N 5.855 125.674 119.914 -0.159 0.000 2.370 585 V HA 0.288 4.407 4.120 -0.001 0.000 0.279 585 V C 0.255 176.303 176.094 -0.077 0.000 1.029 585 V CA -0.392 61.862 62.300 -0.076 0.000 0.870 585 V CB 1.694 33.505 31.823 -0.021 0.000 0.984 585 V HN 0.851 nan 8.190 nan 0.000 0.451 586 S N 4.213 119.887 115.700 -0.045 0.000 2.433 586 S HA 0.558 5.027 4.470 -0.001 0.000 0.310 586 S C 0.416 175.013 174.600 -0.004 0.000 1.097 586 S CA -0.550 57.633 58.200 -0.028 0.000 1.103 586 S CB 1.326 64.509 63.200 -0.028 0.000 0.992 586 S HN 0.776 nan 8.310 nan 0.000 0.469 587 N N 2.661 121.365 118.700 0.007 0.000 3.078 587 N HA -0.178 4.561 4.740 -0.001 0.000 0.221 587 N C 0.553 176.083 175.510 0.034 0.000 0.163 587 N CA 2.736 55.795 53.050 0.016 0.000 3.866 587 N CB -1.578 36.913 38.487 0.008 0.000 1.005 587 N HN 1.466 nan 8.380 nan 0.000 0.246 588 G N -0.408 108.410 108.800 0.029 0.000 4.357 588 G HA2 0.308 4.268 3.960 -0.001 0.000 0.234 588 G HA3 0.308 4.268 3.960 -0.001 0.000 0.234 588 G C -1.316 173.598 174.900 0.024 0.000 3.600 588 G CA -0.287 44.838 45.100 0.041 0.000 0.615 588 G HN 0.296 nan 8.290 nan 0.000 0.209 589 N N 0.661 119.369 118.700 0.012 0.000 2.287 589 N HA 0.548 5.288 4.740 -0.001 0.000 0.289 589 N C -2.446 173.061 175.510 -0.005 0.000 1.066 589 N CA -0.940 52.112 53.050 0.003 0.000 0.841 589 N CB 3.740 42.227 38.487 -0.001 0.000 1.599 589 N HN 0.086 nan 8.380 nan 0.000 0.476 590 P HA 0.398 nan 4.420 nan 0.000 0.212 590 P C -0.397 176.893 177.300 -0.016 0.000 1.131 590 P CA 0.279 63.373 63.100 -0.010 0.000 0.746 590 P CB 0.658 32.356 31.700 -0.004 0.000 1.047 591 L N -4.788 116.427 121.223 -0.013 0.000 2.326 591 L HA 0.227 4.566 4.340 -0.001 0.000 0.278 591 L C 0.492 177.354 176.870 -0.012 0.000 1.297 591 L CA -0.144 54.685 54.840 -0.019 0.000 0.630 591 L CB -1.738 40.301 42.059 -0.034 0.000 0.911 591 L HN -0.222 nan 8.230 nan 0.000 0.529 592 V N -1.439 118.472 119.914 -0.005 0.000 2.469 592 V HA -0.227 3.892 4.120 -0.001 0.000 0.251 592 V C 2.463 178.556 176.094 -0.001 0.000 1.064 592 V CA 2.717 65.017 62.300 0.001 0.000 1.066 592 V CB -0.500 31.326 31.823 0.005 0.000 0.667 592 V HN 0.857 nan 8.190 nan 0.000 0.461 593 T N -0.260 114.292 114.554 -0.005 0.000 2.770 593 T HA -0.150 4.200 4.350 -0.001 0.000 0.263 593 T C 2.061 176.755 174.700 -0.009 0.000 1.039 593 T CA 1.254 63.351 62.100 -0.005 0.000 1.142 593 T CB -0.168 68.697 68.868 -0.006 0.000 0.868 593 T HN 0.456 nan 8.240 nan 0.000 0.435 594 R N 0.831 121.321 120.500 -0.017 0.000 2.159 594 R HA -0.012 4.327 4.340 -0.001 0.000 0.237 594 R C 2.210 178.497 176.300 -0.023 0.000 1.131 594 R CA 1.092 57.177 56.100 -0.026 0.000 0.982 594 R CB -0.143 30.132 30.300 -0.041 0.000 0.868 594 R HN 0.354 nan 8.270 nan 0.000 0.453 595 E N 0.860 121.050 120.200 -0.015 0.000 2.512 595 E HA -0.094 4.256 4.350 -0.001 0.000 0.195 595 E C 0.084 176.683 176.600 -0.001 0.000 1.083 595 E CA 0.541 56.936 56.400 -0.009 0.000 0.873 595 E CB 0.195 29.894 29.700 -0.001 0.000 0.897 595 E HN 0.268 nan 8.360 nan 0.000 0.514 596 D N -0.193 120.206 120.400 -0.002 0.000 2.201 596 D HA -0.065 4.574 4.640 -0.001 0.000 0.209 596 D C 2.045 178.346 176.300 0.002 0.000 0.961 596 D CA 0.754 54.756 54.000 0.003 0.000 0.861 596 D CB -0.203 40.599 40.800 0.003 0.000 0.997 596 D HN 0.374 nan 8.370 nan 0.000 0.486 597 I N -0.454 120.114 120.570 -0.003 0.000 2.286 597 I HA -0.196 3.974 4.170 -0.001 0.000 0.248 597 I C 1.662 177.778 176.117 -0.002 0.000 1.115 597 I CA 1.255 62.553 61.300 -0.003 0.000 1.392 597 I CB -0.344 37.652 38.000 -0.007 0.000 1.065 597 I HN -0.209 nan 8.210 nan 0.000 0.418 598 E N 1.999 122.196 120.200 -0.004 0.000 1.995 598 E HA -0.231 4.119 4.350 -0.001 0.000 0.207 598 E C 2.023 178.624 176.600 0.001 0.000 1.016 598 E CA 1.776 58.173 56.400 -0.004 0.000 0.865 598 E CB -0.397 29.296 29.700 -0.012 0.000 0.797 598 E HN 0.405 nan 8.360 nan 0.000 0.491 599 K N -0.034 120.369 120.400 0.006 0.000 1.987 599 K HA -0.334 3.986 4.320 -0.001 0.000 0.232 599 K C 1.822 178.431 176.600 0.016 0.000 1.034 599 K CA 2.139 58.435 56.287 0.016 0.000 1.013 599 K CB -0.634 31.880 32.500 0.023 0.000 0.736 599 K HN -0.016 nan 8.250 nan 0.000 0.446 600 L N 0.396 121.628 121.223 0.014 0.000 2.229 600 L HA -0.362 3.977 4.340 -0.001 0.000 0.250 600 L C 1.840 178.717 176.870 0.012 0.000 1.110 600 L CA 2.672 57.520 54.840 0.013 0.000 0.838 600 L CB -0.772 41.293 42.059 0.009 0.000 0.962 600 L HN 0.630 nan 8.230 nan 0.000 0.437 601 D N -3.796 116.609 120.400 0.009 0.000 1.927 601 D HA 0.170 4.809 4.640 -0.001 0.000 0.390 601 D C -0.407 175.896 176.300 0.005 0.000 1.045 601 D CA 1.130 55.134 54.000 0.008 0.000 0.947 601 D CB 0.820 41.624 40.800 0.007 0.000 1.818 601 D HN 0.397 nan 8.370 nan 0.000 0.543 602 S N 0.068 115.770 115.700 0.003 0.000 2.936 602 S HA 0.267 4.737 4.470 -0.001 0.000 0.287 602 S C 0.292 174.892 174.600 -0.000 0.000 0.408 602 S CA -0.277 57.924 58.200 0.001 0.000 0.561 602 S CB -0.760 62.441 63.200 0.002 0.000 0.780 602 S HN 0.245 nan 8.310 nan 0.000 0.686 603 G N 2.692 111.491 108.800 -0.002 0.000 2.711 603 G HA2 0.443 4.403 3.960 -0.001 0.000 0.186 603 G HA3 0.443 4.403 3.960 -0.001 0.000 0.186 603 G C 1.350 176.247 174.900 -0.005 0.000 1.635 603 G CA 0.062 45.160 45.100 -0.004 0.000 1.065 603 G HN 1.857 nan 8.290 nan 0.000 0.545 604 S N -0.656 115.040 115.700 -0.008 0.000 2.537 604 S HA -0.025 4.445 4.470 -0.001 0.000 0.240 604 S C 1.750 176.343 174.600 -0.010 0.000 0.981 604 S CA 0.598 58.792 58.200 -0.009 0.000 0.948 604 S CB -0.587 62.606 63.200 -0.012 0.000 0.759 604 S HN 0.582 nan 8.310 nan 0.000 0.531 605 I N 1.514 122.077 120.570 -0.010 0.000 4.813 605 I HA -0.411 3.758 4.170 -0.001 0.000 0.050 605 I C 0.062 176.176 176.117 -0.006 0.000 0.696 605 I CA 2.240 63.535 61.300 -0.009 0.000 0.380 605 I CB -1.263 36.736 38.000 -0.002 0.000 0.578 605 I HN 0.589 nan 8.210 nan 0.000 0.313 606 T N 0.314 114.875 114.554 0.012 0.000 0.600 606 T HA -0.224 4.125 4.350 -0.001 0.000 0.767 606 T C -0.163 174.569 174.700 0.054 0.000 0.991 606 T CA 0.593 62.714 62.100 0.035 0.000 4.044 606 T CB -1.050 67.830 68.868 0.019 0.000 2.284 606 T HN 0.618 nan 8.240 nan 0.000 0.395 607 F N 2.594 122.514 119.950 -0.050 0.000 2.087 607 F HA -0.185 4.341 4.527 -0.001 0.000 0.299 607 F C 1.991 177.782 175.800 -0.015 0.000 1.100 607 F CA 2.465 60.440 58.000 -0.041 0.000 1.226 607 F CB -0.096 38.868 39.000 -0.060 0.000 0.983 607 F HN 0.724 nan 8.300 nan 0.000 0.479 608 D N 0.092 120.593 120.400 0.168 0.000 2.149 608 D HA -0.200 4.439 4.640 -0.001 0.000 0.198 608 D C 1.890 178.181 176.300 -0.016 0.000 0.990 608 D CA 1.652 55.709 54.000 0.096 0.000 0.839 608 D CB -0.505 40.345 40.800 0.084 0.000 0.948 608 D HN 0.383 nan 8.370 nan 0.000 0.460 609 D N -0.246 120.138 120.400 -0.028 0.000 2.310 609 D HA -0.067 4.572 4.640 -0.001 0.000 0.212 609 D C 1.929 178.180 176.300 -0.083 0.000 0.965 609 D CA 0.189 54.163 54.000 -0.042 0.000 0.879 609 D CB 0.141 40.924 40.800 -0.029 0.000 0.921 609 D HN 0.250 nan 8.370 nan 0.000 0.510 610 L N 0.134 121.261 121.223 -0.160 0.000 2.341 610 L HA -0.080 4.260 4.340 -0.001 0.000 0.214 610 L C 2.194 178.949 176.870 -0.191 0.000 1.115 610 L CA 0.257 54.970 54.840 -0.211 0.000 0.820 610 L CB 0.334 42.177 42.059 -0.361 0.000 0.944 610 L HN -0.123 nan 8.230 nan 0.000 0.452 611 V N -0.622 119.193 119.914 -0.165 0.000 2.379 611 V HA -0.161 3.958 4.120 -0.001 0.000 0.243 611 V C 2.415 178.500 176.094 -0.015 0.000 1.035 611 V CA 1.311 63.575 62.300 -0.060 0.000 1.035 611 V CB -0.487 31.370 31.823 0.058 0.000 0.673 611 V HN 0.386 nan 8.190 nan 0.000 0.457 612 R N 0.032 120.523 120.500 -0.016 0.000 2.105 612 R HA -0.237 4.103 4.340 -0.001 0.000 0.239 612 R C 2.367 178.657 176.300 -0.017 0.000 1.135 612 R CA 1.703 57.798 56.100 -0.008 0.000 0.967 612 R CB -0.336 29.959 30.300 -0.009 0.000 0.861 612 R HN 0.473 nan 8.270 nan 0.000 0.442 613 Q N -0.252 119.527 119.800 -0.036 0.000 2.124 613 Q HA -0.084 4.256 4.340 -0.001 0.000 0.202 613 Q C 0.591 176.573 176.000 -0.029 0.000 0.977 613 Q CA 1.740 57.522 55.803 -0.036 0.000 0.850 613 Q CB 0.274 28.981 28.738 -0.052 0.000 0.901 613 Q HN 0.521 nan 8.270 nan 0.000 0.429 614 G N -0.547 108.234 108.800 -0.031 0.000 2.226 614 G HA2 -0.142 3.818 3.960 -0.001 0.000 0.176 614 G HA3 -0.142 3.818 3.960 -0.001 0.000 0.176 614 G C 0.189 175.071 174.900 -0.030 0.000 1.042 614 G CA 0.129 45.218 45.100 -0.019 0.000 0.732 614 G HN 0.135 nan 8.290 nan 0.000 0.494 615 K N -0.274 120.095 120.400 -0.052 0.000 2.533 615 K HA 0.445 4.765 4.320 -0.001 0.000 0.202 615 K C 0.317 176.874 176.600 -0.073 0.000 1.096 615 K CA 0.112 56.364 56.287 -0.059 0.000 1.056 615 K CB 0.775 33.235 32.500 -0.067 0.000 0.890 615 K HN 0.535 nan 8.250 nan 0.000 0.552 616 I N 0.856 121.380 120.570 -0.076 0.000 2.644 616 I HA 0.218 4.388 4.170 -0.001 0.000 0.291 616 I C -1.126 174.979 176.117 -0.020 0.000 1.180 616 I CA -0.602 60.647 61.300 -0.085 0.000 1.040 616 I CB 2.764 40.629 38.000 -0.225 0.000 1.255 616 I HN -0.110 nan 8.210 nan 0.000 0.422 617 E N 5.268 125.477 120.200 0.015 0.000 2.241 617 E HA 0.392 4.742 4.350 -0.001 0.000 0.263 617 E C -1.716 174.907 176.600 0.038 0.000 0.882 617 E CA -0.659 55.795 56.400 0.090 0.000 0.769 617 E CB 1.564 31.363 29.700 0.165 0.000 1.185 617 E HN 0.386 nan 8.360 nan 0.000 0.415 618 Y N 3.609 123.958 120.300 0.081 0.000 2.436 618 Y HA 0.200 4.750 4.550 -0.001 0.000 0.336 618 Y C 0.055 175.985 175.900 0.051 0.000 1.049 618 Y CA 0.084 58.227 58.100 0.071 0.000 1.294 618 Y CB 0.557 39.066 38.460 0.080 0.000 1.179 618 Y HN 0.370 nan 8.280 nan 0.000 0.520 619 L N 3.760 125.062 121.223 0.131 0.000 2.329 619 L HA 0.325 4.664 4.340 -0.001 0.000 0.279 619 L C -0.041 176.888 176.870 0.099 0.000 1.014 619 L CA -0.964 53.923 54.840 0.079 0.000 0.814 619 L CB 1.409 43.451 42.059 -0.029 0.000 1.257 619 L HN 0.573 nan 8.230 nan 0.000 0.424 620 D N 1.501 121.962 120.400 0.103 0.000 2.371 620 D HA 0.183 4.822 4.640 -0.001 0.000 0.242 620 D C 0.876 177.241 176.300 0.108 0.000 1.218 620 D CA 0.326 54.390 54.000 0.108 0.000 0.945 620 D CB 1.587 42.452 40.800 0.108 0.000 1.137 620 D HN 0.570 nan 8.370 nan 0.000 0.464 621 A N 1.376 124.277 122.820 0.135 0.000 2.067 621 A HA -0.107 4.212 4.320 -0.001 0.000 0.219 621 A C 1.874 179.590 177.584 0.220 0.000 1.158 621 A CA 1.567 53.707 52.037 0.171 0.000 0.661 621 A CB -0.501 18.640 19.000 0.235 0.000 0.801 621 A HN 0.654 nan 8.150 nan 0.000 0.452 622 E N -0.195 120.102 120.200 0.163 0.000 2.122 622 E HA -0.091 4.259 4.350 -0.001 0.000 0.190 622 E C 1.893 178.558 176.600 0.108 0.000 0.977 622 E CA 1.285 57.752 56.400 0.112 0.000 0.820 622 E CB -0.087 29.642 29.700 0.048 0.000 0.770 622 E HN 0.691 nan 8.360 nan 0.000 0.462 623 E N 0.034 120.298 120.200 0.107 0.000 2.230 623 E HA -0.115 4.234 4.350 -0.001 0.000 0.192 623 E C 1.680 178.333 176.600 0.088 0.000 0.987 623 E CA 0.490 56.953 56.400 0.105 0.000 0.841 623 E CB 0.044 29.806 29.700 0.104 0.000 0.783 623 E HN 0.252 nan 8.360 nan 0.000 0.481 624 E N 0.429 120.669 120.200 0.066 0.000 2.333 624 E HA -0.248 4.101 4.350 -0.001 0.000 0.198 624 E C 1.647 178.289 176.600 0.071 0.000 1.007 624 E CA 0.877 57.295 56.400 0.030 0.000 0.845 624 E CB 0.119 29.832 29.700 0.022 0.000 0.766 624 E HN 0.171 nan 8.360 nan 0.000 0.507 625 E N 0.923 121.187 120.200 0.107 0.000 2.070 625 E HA -0.228 4.122 4.350 -0.001 0.000 0.197 625 E C 1.396 178.062 176.600 0.110 0.000 1.004 625 E CA 2.188 58.660 56.400 0.120 0.000 0.805 625 E CB -0.137 29.639 29.700 0.127 0.000 0.744 625 E HN 0.339 nan 8.360 nan 0.000 0.451 626 N N -0.328 118.444 118.700 0.121 0.000 2.270 626 N HA 0.031 4.770 4.740 -0.001 0.000 0.181 626 N C 0.160 175.767 175.510 0.160 0.000 1.016 626 N CA 0.382 53.514 53.050 0.137 0.000 0.870 626 N CB -0.096 38.485 38.487 0.158 0.000 0.979 626 N HN 0.193 nan 8.380 nan 0.000 0.431 627 A N 0.511 123.433 122.820 0.170 0.000 2.406 627 A HA 0.151 4.470 4.320 -0.001 0.000 0.243 627 A C -0.858 176.882 177.584 0.260 0.000 1.082 627 A CA 0.226 52.411 52.037 0.247 0.000 0.786 627 A CB 0.016 19.116 19.000 0.167 0.000 1.029 627 A HN 0.387 nan 8.150 nan 0.000 0.495 628 Y N 1.570 121.967 120.300 0.162 0.000 2.535 628 Y HA 0.483 5.033 4.550 -0.001 0.000 0.341 628 Y C -1.073 174.952 175.900 0.208 0.000 1.041 628 Y CA -0.718 57.454 58.100 0.121 0.000 1.307 628 Y CB 0.904 39.408 38.460 0.073 0.000 1.095 628 Y HN 0.431 nan 8.280 nan 0.000 0.534 629 V N 5.282 125.114 119.914 -0.137 0.000 2.465 629 V HA 0.745 4.864 4.120 -0.001 0.000 0.279 629 V C 0.583 176.453 176.094 -0.373 0.000 1.045 629 V CA -0.337 61.878 62.300 -0.142 0.000 0.938 629 V CB 0.918 32.678 31.823 -0.105 0.000 0.986 629 V HN 0.891 nan 8.190 nan 0.000 0.467 630 A N 4.222 126.747 122.820 -0.492 0.000 2.316 630 A HA 0.672 4.992 4.320 -0.001 0.000 0.284 630 A C 0.844 178.217 177.584 -0.351 0.000 1.115 630 A CA -0.461 51.142 52.037 -0.724 0.000 0.812 630 A CB 0.490 18.839 19.000 -1.085 0.000 1.064 630 A HN 0.872 nan 8.150 nan 0.000 0.489 631 L N 0.164 121.216 121.223 -0.284 0.000 2.068 631 L HA 0.090 4.430 4.340 -0.001 0.000 0.204 631 L C 0.525 177.314 176.870 -0.135 0.000 1.076 631 L CA 0.851 55.588 54.840 -0.171 0.000 0.753 631 L CB -0.238 41.729 42.059 -0.152 0.000 0.910 631 L HN 0.611 nan 8.230 nan 0.000 0.439 632 E N -0.819 119.302 120.200 -0.132 0.000 2.343 632 E HA 0.246 4.595 4.350 -0.001 0.000 0.270 632 E C -2.032 174.518 176.600 -0.084 0.000 0.895 632 E CA -2.129 54.220 56.400 -0.086 0.000 0.767 632 E CB 1.051 30.717 29.700 -0.057 0.000 1.248 632 E HN -0.210 nan 8.360 nan 0.000 0.440 633 P HA -0.154 nan 4.420 nan 0.000 0.229 633 P C 1.098 178.381 177.300 -0.027 0.000 1.150 633 P CA 1.108 64.184 63.100 -0.039 0.000 0.765 633 P CB 0.210 31.901 31.700 -0.014 0.000 0.783 634 S N 0.504 116.190 115.700 -0.024 0.000 2.406 634 S HA -0.138 4.331 4.470 -0.001 0.000 0.228 634 S C 1.031 175.630 174.600 -0.001 0.000 1.020 634 S CA 1.036 59.234 58.200 -0.003 0.000 0.965 634 S CB -1.144 62.063 63.200 0.011 0.000 0.798 634 S HN 0.279 nan 8.310 nan 0.000 0.488 635 D N -0.007 120.374 120.400 -0.032 0.000 2.755 635 D HA 0.300 4.940 4.640 -0.001 0.000 0.257 635 D C 0.571 176.842 176.300 -0.048 0.000 1.291 635 D CA -0.471 53.520 54.000 -0.015 0.000 0.836 635 D CB 0.221 41.008 40.800 -0.023 0.000 1.059 635 D HN 0.261 nan 8.370 nan 0.000 0.486 636 L N 0.264 121.466 121.223 -0.036 0.000 2.629 636 L HA 0.217 4.557 4.340 -0.001 0.000 0.230 636 L C 1.479 178.494 176.870 0.241 0.000 1.151 636 L CA 0.640 55.479 54.840 -0.002 0.000 0.924 636 L CB -0.511 41.526 42.059 -0.035 0.000 1.137 636 L HN 0.083 nan 8.230 nan 0.000 0.457 637 T N 0.251 114.918 114.554 0.188 0.000 2.607 637 T HA -0.068 4.281 4.350 -0.001 0.000 0.267 637 T C -1.272 173.515 174.700 0.146 0.000 1.049 637 T CA 1.093 63.277 62.100 0.140 0.000 1.162 637 T CB -1.286 67.640 68.868 0.098 0.000 0.863 637 T HN 0.358 nan 8.240 nan 0.000 0.424 638 P HA 0.282 nan 4.420 nan 0.000 0.286 638 P C -0.611 176.676 177.300 -0.020 0.000 1.293 638 P CA -0.141 62.965 63.100 0.011 0.000 0.770 638 P CB 0.426 32.087 31.700 -0.064 0.000 1.206 639 E N 0.203 120.357 120.200 -0.077 0.000 1.775 639 E HA 0.086 4.435 4.350 -0.001 0.000 0.266 639 E C -0.156 176.454 176.600 0.017 0.000 1.191 639 E CA 0.312 56.697 56.400 -0.026 0.000 1.048 639 E CB -1.149 28.523 29.700 -0.046 0.000 1.081 639 E HN 0.248 nan 8.360 nan 0.000 0.434 640 H N 1.237 120.427 119.070 0.199 0.000 2.580 640 H HA 0.107 4.662 4.556 -0.001 0.000 0.322 640 H C 0.945 176.343 175.328 0.117 0.000 1.082 640 H CA -0.010 56.184 56.048 0.243 0.000 1.383 640 H CB 1.391 31.188 29.762 0.058 0.000 1.450 640 H HN 0.317 nan 8.280 nan 0.000 0.505 641 T N 2.546 117.265 114.554 0.275 0.000 2.812 641 T HA -0.059 4.291 4.350 -0.001 0.000 0.264 641 T C 0.112 174.670 174.700 -0.236 0.000 1.042 641 T CA 1.249 63.388 62.100 0.064 0.000 1.140 641 T CB 0.054 69.081 68.868 0.265 0.000 0.870 641 T HN 0.609 nan 8.240 nan 0.000 0.445 642 H N -1.427 117.693 119.070 0.084 0.000 2.977 642 H HA 0.736 5.291 4.556 -0.001 0.000 0.350 642 H C -1.266 174.046 175.328 -0.028 0.000 1.238 642 H CA -0.944 55.120 56.048 0.025 0.000 1.124 642 H CB 1.740 31.514 29.762 0.019 0.000 1.866 642 H HN 0.063 nan 8.280 nan 0.000 0.550 643 L N 0.892 122.173 121.223 0.097 0.000 2.410 643 L HA 0.422 4.761 4.340 -0.001 0.000 0.270 643 L C -0.804 176.086 176.870 0.033 0.000 0.983 643 L CA -0.800 54.042 54.840 0.004 0.000 0.822 643 L CB 1.575 43.621 42.059 -0.021 0.000 1.285 643 L HN 0.509 nan 8.230 nan 0.000 0.409 644 E N 5.085 125.296 120.200 0.019 0.000 2.417 644 E HA 0.030 4.380 4.350 -0.001 0.000 0.261 644 E C 1.029 177.660 176.600 0.051 0.000 1.000 644 E CA 0.296 56.728 56.400 0.054 0.000 0.919 644 E CB 1.364 31.113 29.700 0.082 0.000 0.955 644 E HN 0.656 nan 8.360 nan 0.000 0.455 645 I N 1.322 121.928 120.570 0.060 0.000 2.076 645 I HA -0.192 3.978 4.170 -0.001 0.000 0.237 645 I C 0.740 176.989 176.117 0.220 0.000 1.059 645 I CA 1.365 62.724 61.300 0.098 0.000 1.317 645 I CB 0.005 38.039 38.000 0.057 0.000 1.037 645 I HN 0.457 nan 8.210 nan 0.000 0.398 646 W N -0.116 121.155 121.300 -0.049 0.000 2.781 646 W HA 0.326 4.985 4.660 -0.001 0.000 0.333 646 W C 1.008 177.468 176.519 -0.098 0.000 1.047 646 W CA -0.655 56.678 57.345 -0.020 0.000 1.236 646 W CB 1.563 31.064 29.460 0.068 0.000 1.394 646 W HN -0.185 nan 8.180 nan 0.000 0.466 647 S N 4.218 119.621 115.700 -0.494 0.000 2.357 647 S HA -0.071 4.399 4.470 -0.001 0.000 0.221 647 S C -1.213 172.977 174.600 -0.682 0.000 1.031 647 S CA 1.200 59.025 58.200 -0.626 0.000 0.982 647 S CB -0.945 61.706 63.200 -0.915 0.000 0.853 647 S HN 0.415 nan 8.310 nan 0.000 0.458 648 P HA 0.176 nan 4.420 nan 0.000 0.239 648 P C 0.606 177.817 177.300 -0.148 0.000 1.184 648 P CA 0.460 63.209 63.100 -0.584 0.000 0.760 648 P CB -0.215 30.768 31.700 -1.196 0.000 0.884 649 A N -0.457 122.362 122.820 -0.002 0.000 2.209 649 A HA -0.079 4.241 4.320 -0.001 0.000 0.212 649 A C 1.844 179.347 177.584 -0.136 0.000 1.158 649 A CA 0.654 52.768 52.037 0.128 0.000 0.742 649 A CB -1.135 17.935 19.000 0.117 0.000 0.790 649 A HN 0.051 nan 8.150 nan 0.000 0.472 650 I N 0.181 120.568 120.570 -0.304 0.000 2.361 650 I HA -0.094 4.075 4.170 -0.001 0.000 0.251 650 I C 1.154 177.112 176.117 -0.264 0.000 1.133 650 I CA 0.673 61.703 61.300 -0.451 0.000 1.413 650 I CB -1.190 36.480 38.000 -0.550 0.000 1.073 650 I HN 0.258 nan 8.210 nan 0.000 0.424 651 L N 0.111 121.262 121.223 -0.120 0.000 2.452 651 L HA 0.253 4.593 4.340 -0.001 0.000 0.267 651 L C 1.209 178.063 176.870 -0.027 0.000 1.188 651 L CA -0.202 54.610 54.840 -0.047 0.000 0.821 651 L CB 0.276 42.359 42.059 0.039 0.000 1.102 651 L HN 0.113 nan 8.230 nan 0.000 0.470 652 G N 0.964 109.752 108.800 -0.019 0.000 2.508 652 G HA2 0.330 4.290 3.960 -0.001 0.000 0.278 652 G HA3 0.330 4.290 3.960 -0.001 0.000 0.278 652 G C 0.849 175.753 174.900 0.007 0.000 1.389 652 G CA -0.524 44.572 45.100 -0.008 0.000 1.050 652 G HN 0.551 nan 8.290 nan 0.000 0.522 653 I N -0.449 120.118 120.570 -0.004 0.000 2.113 653 I HA -0.088 4.082 4.170 -0.001 0.000 0.238 653 I C 2.861 178.953 176.117 -0.042 0.000 1.070 653 I CA 1.989 63.275 61.300 -0.025 0.000 1.332 653 I CB -1.224 36.753 38.000 -0.038 0.000 1.044 653 I HN 0.387 nan 8.210 nan 0.000 0.402 654 T N 0.747 115.277 114.554 -0.040 0.000 2.821 654 T HA -0.017 4.333 4.350 -0.001 0.000 0.267 654 T C 2.043 176.707 174.700 -0.060 0.000 1.046 654 T CA 1.297 63.359 62.100 -0.064 0.000 1.139 654 T CB -0.515 68.326 68.868 -0.044 0.000 0.871 654 T HN 0.453 nan 8.240 nan 0.000 0.454 655 A N 1.415 124.231 122.820 -0.005 0.000 2.067 655 A HA -0.019 4.301 4.320 -0.001 0.000 0.219 655 A C 2.440 180.027 177.584 0.005 0.000 1.158 655 A CA 1.288 53.346 52.037 0.034 0.000 0.661 655 A CB -0.627 18.462 19.000 0.148 0.000 0.801 655 A HN 0.420 nan 8.150 nan 0.000 0.452 656 S N -0.516 115.179 115.700 -0.008 0.000 2.555 656 S HA -0.003 4.467 4.470 -0.001 0.000 0.230 656 S C 1.394 175.956 174.600 -0.063 0.000 0.978 656 S CA 0.659 58.859 58.200 0.000 0.000 0.934 656 S CB -0.301 62.919 63.200 0.035 0.000 0.766 656 S HN 0.474 nan 8.310 nan 0.000 0.533 657 I N 1.298 121.791 120.570 -0.129 0.000 2.617 657 I HA 0.074 4.244 4.170 -0.001 0.000 0.256 657 I C 0.448 176.448 176.117 -0.195 0.000 1.167 657 I CA 0.487 61.660 61.300 -0.211 0.000 1.469 657 I CB -0.185 37.602 38.000 -0.354 0.000 1.098 657 I HN 0.184 nan 8.210 nan 0.000 0.436 658 I N 3.942 124.410 120.570 -0.170 0.000 2.436 658 I HA 0.097 4.267 4.170 -0.001 0.000 0.289 658 I C -2.015 174.007 176.117 -0.159 0.000 1.083 658 I CA -1.593 59.584 61.300 -0.205 0.000 1.372 658 I CB 0.049 37.936 38.000 -0.189 0.000 1.408 658 I HN -0.055 nan 8.210 nan 0.000 0.516 659 P HA 0.064 nan 4.420 nan 0.000 0.278 659 P C -0.771 176.540 177.300 0.019 0.000 1.238 659 P CA -0.195 62.804 63.100 -0.167 0.000 0.794 659 P CB 0.371 31.990 31.700 -0.135 0.000 0.955 660 Y N -0.087 120.251 120.300 0.063 0.000 3.225 660 Y HA -0.177 4.372 4.550 -0.001 0.000 0.211 660 Y C -0.921 175.007 175.900 0.046 0.000 1.223 660 Y CA 0.402 58.566 58.100 0.106 0.000 1.284 660 Y CB -2.686 35.933 38.460 0.264 0.000 1.367 660 Y HN 0.458 nan 8.280 nan 0.000 0.566 661 P HA -0.161 nan 4.420 nan 0.000 0.222 661 P C 0.587 177.836 177.300 -0.084 0.000 1.147 661 P CA 1.970 65.052 63.100 -0.029 0.000 0.790 661 P CB 0.246 31.912 31.700 -0.056 0.000 0.780 662 E N -1.389 118.673 120.200 -0.229 0.000 2.335 662 E HA 0.029 4.379 4.350 -0.001 0.000 0.191 662 E C 0.538 176.915 176.600 -0.372 0.000 1.077 662 E CA 0.074 56.284 56.400 -0.317 0.000 1.010 662 E CB -1.154 28.200 29.700 -0.576 0.000 1.141 662 E HN 0.437 nan 8.360 nan 0.000 0.452 663 H N -1.252 117.799 119.070 -0.032 0.000 3.170 663 H HA 0.293 4.848 4.556 -0.001 0.000 0.264 663 H C 0.022 175.324 175.328 -0.043 0.000 1.113 663 H CA -0.542 55.485 56.048 -0.035 0.000 1.194 663 H CB 0.586 30.329 29.762 -0.031 0.000 1.553 663 H HN 0.018 nan 8.280 nan 0.000 0.538 664 N N 0.680 119.407 118.700 0.046 0.000 2.491 664 N HA 0.109 4.848 4.740 -0.001 0.000 0.279 664 N C -0.245 175.235 175.510 -0.050 0.000 1.236 664 N CA -0.428 52.614 53.050 -0.013 0.000 0.982 664 N CB 0.993 39.459 38.487 -0.036 0.000 1.194 664 N HN 0.210 nan 8.380 nan 0.000 0.582 665 Q N -0.062 119.695 119.800 -0.073 0.000 2.260 665 Q HA 0.127 4.466 4.340 -0.001 0.000 0.242 665 Q C 0.975 176.890 176.000 -0.142 0.000 0.932 665 Q CA -0.200 55.560 55.803 -0.070 0.000 0.891 665 Q CB 1.156 29.866 28.738 -0.047 0.000 1.222 665 Q HN 0.667 nan 8.270 nan 0.000 0.453 666 S N 2.892 118.552 115.700 -0.067 0.000 2.359 666 S HA -0.104 4.365 4.470 -0.001 0.000 0.223 666 S C -0.923 173.553 174.600 -0.207 0.000 1.039 666 S CA 1.913 60.093 58.200 -0.033 0.000 1.042 666 S CB -0.761 62.489 63.200 0.084 0.000 0.915 666 S HN 0.691 nan 8.310 nan 0.000 0.439 667 P HA -0.054 nan 4.420 nan 0.000 0.219 667 P C 1.186 177.846 177.300 -1.066 0.000 1.150 667 P CA 0.918 63.708 63.100 -0.517 0.000 0.814 667 P CB -0.196 31.365 31.700 -0.232 0.000 0.787 668 R N -0.152 120.009 120.500 -0.565 0.000 2.092 668 R HA -0.022 4.317 4.340 -0.001 0.000 0.231 668 R C 1.942 177.994 176.300 -0.413 0.000 1.119 668 R CA 0.853 56.724 56.100 -0.381 0.000 0.970 668 R CB -1.186 29.045 30.300 -0.114 0.000 0.864 668 R HN 0.276 nan 8.270 nan 0.000 0.440 669 N N 0.142 118.513 118.700 -0.549 0.000 2.188 669 N HA -0.081 4.658 4.740 -0.001 0.000 0.184 669 N C 1.578 176.812 175.510 -0.460 0.000 1.018 669 N CA 1.425 54.082 53.050 -0.655 0.000 0.858 669 N CB -0.329 37.255 38.487 -1.506 0.000 0.989 669 N HN 0.176 nan 8.380 nan 0.000 0.426 670 T N 0.824 115.113 114.554 -0.442 0.000 2.788 670 T HA -0.103 4.246 4.350 -0.001 0.000 0.268 670 T C 1.499 176.155 174.700 -0.073 0.000 1.044 670 T CA 0.983 62.967 62.100 -0.194 0.000 1.139 670 T CB -0.311 68.446 68.868 -0.184 0.000 0.867 670 T HN 0.220 nan 8.240 nan 0.000 0.454 671 Y N 1.630 121.900 120.300 -0.050 0.000 2.181 671 Y HA -0.056 4.493 4.550 -0.001 0.000 0.288 671 Y C 2.716 178.588 175.900 -0.048 0.000 1.146 671 Y CA 0.404 58.481 58.100 -0.037 0.000 1.164 671 Y CB -1.218 37.220 38.460 -0.037 0.000 0.982 671 Y HN 0.185 nan 8.280 nan 0.000 0.515 672 Q N 0.201 120.027 119.800 0.045 0.000 2.167 672 Q HA -0.089 4.250 4.340 -0.001 0.000 0.202 672 Q C 1.933 177.913 176.000 -0.034 0.000 0.970 672 Q CA 1.823 57.611 55.803 -0.025 0.000 0.855 672 Q CB -0.391 28.286 28.738 -0.103 0.000 0.911 672 Q HN 0.260 nan 8.270 nan 0.000 0.438 673 S N -0.679 115.002 115.700 -0.030 0.000 2.607 673 S HA 0.170 4.640 4.470 -0.001 0.000 0.224 673 S C 1.194 175.806 174.600 0.019 0.000 0.969 673 S CA 0.570 58.767 58.200 -0.005 0.000 0.927 673 S CB 0.073 63.292 63.200 0.032 0.000 0.772 673 S HN 0.533 nan 8.310 nan 0.000 0.533 674 A N -0.448 122.398 122.820 0.042 0.000 2.324 674 A HA 0.451 4.770 4.320 -0.001 0.000 0.220 674 A C 1.634 179.249 177.584 0.053 0.000 1.209 674 A CA -0.050 52.022 52.037 0.057 0.000 0.918 674 A CB -0.054 19.002 19.000 0.094 0.000 0.959 674 A HN 0.405 nan 8.150 nan 0.000 0.507 675 M N -0.683 118.941 119.600 0.040 0.000 2.429 675 M HA 0.281 4.760 4.480 -0.001 0.000 0.265 675 M C 2.162 178.474 176.300 0.021 0.000 1.120 675 M CA 1.349 56.666 55.300 0.029 0.000 1.173 675 M CB -0.028 32.583 32.600 0.018 0.000 1.343 675 M HN 0.349 nan 8.290 nan 0.000 0.464 676 A N -0.089 122.731 122.820 0.000 0.000 1.978 676 A HA -0.205 4.115 4.320 -0.001 0.000 0.220 676 A C 2.023 179.632 177.584 0.042 0.000 1.170 676 A CA 1.803 53.842 52.037 0.004 0.000 0.636 676 A CB -0.603 18.345 19.000 -0.088 0.000 0.810 676 A HN 0.465 nan 8.150 nan 0.000 0.448 677 K N -0.754 119.661 120.400 0.026 0.000 2.365 677 K HA -0.048 4.272 4.320 -0.001 0.000 0.199 677 K C 1.792 178.420 176.600 0.047 0.000 1.045 677 K CA 1.168 57.471 56.287 0.026 0.000 0.962 677 K CB -0.009 32.491 32.500 0.001 0.000 0.759 677 K HN 0.628 nan 8.250 nan 0.000 0.469 678 Q N -0.364 119.483 119.800 0.079 0.000 2.282 678 Q HA 0.236 4.575 4.340 -0.001 0.000 0.206 678 Q C -0.035 176.032 176.000 0.110 0.000 0.878 678 Q CA -0.360 55.546 55.803 0.172 0.000 0.944 678 Q CB 0.909 29.712 28.738 0.109 0.000 1.100 678 Q HN 0.199 nan 8.270 nan 0.000 0.509 679 A N 0.893 123.754 122.820 0.068 0.000 2.475 679 A HA 0.221 4.540 4.320 -0.001 0.000 0.239 679 A C -0.314 177.296 177.584 0.044 0.000 1.087 679 A CA 0.139 52.212 52.037 0.060 0.000 0.779 679 A CB 0.271 19.363 19.000 0.152 0.000 1.036 679 A HN 0.312 nan 8.150 nan 0.000 0.506 680 L N 1.298 122.540 121.223 0.031 0.000 2.313 680 L HA 0.662 5.001 4.340 -0.001 0.000 0.283 680 L C 0.676 177.609 176.870 0.105 0.000 1.013 680 L CA -0.010 54.857 54.840 0.044 0.000 0.816 680 L CB 1.349 43.420 42.059 0.020 0.000 1.236 680 L HN 1.001 nan 8.230 nan 0.000 0.419 681 G N 2.538 111.413 108.800 0.123 0.000 2.664 681 G HA2 0.355 4.315 3.960 -0.001 0.000 0.303 681 G HA3 0.355 4.315 3.960 -0.001 0.000 0.303 681 G C -1.976 172.983 174.900 0.098 0.000 1.243 681 G CA -0.691 44.467 45.100 0.096 0.000 0.826 681 G HN 0.299 nan 8.290 nan 0.000 0.498 682 L N 1.788 123.021 121.223 0.016 0.000 2.283 682 L HA 0.476 4.816 4.340 -0.001 0.000 0.287 682 L C 0.957 177.839 176.870 0.020 0.000 1.073 682 L CA -0.612 54.188 54.840 -0.066 0.000 0.822 682 L CB 0.397 42.354 42.059 -0.170 0.000 1.186 682 L HN 0.671 nan 8.230 nan 0.000 0.436 683 Y N 3.883 124.168 120.300 -0.024 0.000 2.448 683 Y HA 0.719 5.268 4.550 -0.001 0.000 0.289 683 Y C 0.426 176.415 175.900 0.149 0.000 1.114 683 Y CA -0.052 58.117 58.100 0.116 0.000 1.235 683 Y CB -0.240 38.277 38.460 0.095 0.000 1.045 683 Y HN 0.562 nan 8.280 nan 0.000 0.554 684 A N -0.015 122.488 122.820 -0.529 0.000 2.566 684 A HA 0.743 5.063 4.320 -0.001 0.000 0.297 684 A C 0.644 178.055 177.584 -0.288 0.000 1.059 684 A CA -0.441 51.384 52.037 -0.354 0.000 0.691 684 A CB 0.592 19.389 19.000 -0.339 0.000 1.282 684 A HN 0.497 nan 8.150 nan 0.000 0.401 685 A N 1.344 124.040 122.820 -0.206 0.000 2.015 685 A HA -0.042 4.277 4.320 -0.001 0.000 0.219 685 A C 1.193 178.694 177.584 -0.140 0.000 1.163 685 A CA 1.717 53.670 52.037 -0.140 0.000 0.646 685 A CB -0.476 18.432 19.000 -0.154 0.000 0.806 685 A HN 1.134 nan 8.150 nan 0.000 0.448 686 N N -0.277 118.313 118.700 -0.183 0.000 2.295 686 N HA -0.019 4.720 4.740 -0.001 0.000 0.221 686 N C 0.872 176.194 175.510 -0.314 0.000 1.129 686 N CA 0.294 53.204 53.050 -0.234 0.000 0.836 686 N CB -0.888 37.501 38.487 -0.164 0.000 1.040 686 N HN 0.661 nan 8.380 nan 0.000 0.494 687 Y N -0.111 119.936 120.300 -0.421 0.000 2.365 687 Y HA -0.189 4.361 4.550 -0.001 0.000 0.287 687 Y C 2.227 177.922 175.900 -0.341 0.000 1.162 687 Y CA 1.104 58.891 58.100 -0.523 0.000 1.260 687 Y CB -0.565 37.398 38.460 -0.828 0.000 0.976 687 Y HN 0.118 nan 8.280 nan 0.000 0.548 688 Q N 0.652 119.823 119.800 -1.049 0.000 2.050 688 Q HA -0.088 4.252 4.340 -0.001 0.000 0.202 688 Q C 1.559 177.319 176.000 -0.400 0.000 0.980 688 Q CA 2.045 57.362 55.803 -0.810 0.000 0.840 688 Q CB -0.204 28.131 28.738 -0.671 0.000 0.898 688 Q HN 0.587 nan 8.270 nan 0.000 0.424 689 L N 0.293 121.337 121.223 -0.299 0.000 2.592 689 L HA 0.113 4.453 4.340 -0.001 0.000 0.227 689 L C 0.408 177.198 176.870 -0.133 0.000 1.127 689 L CA 0.261 54.994 54.840 -0.179 0.000 0.884 689 L CB 0.029 42.003 42.059 -0.142 0.000 1.065 689 L HN -0.014 nan 8.230 nan 0.000 0.457 690 R N -0.587 119.826 120.500 -0.145 0.000 2.726 690 R HA 0.202 4.542 4.340 -0.001 0.000 0.272 690 R C 0.513 176.773 176.300 -0.067 0.000 1.097 690 R CA 0.117 56.173 56.100 -0.073 0.000 1.198 690 R CB 0.046 30.340 30.300 -0.010 0.000 1.114 690 R HN -0.188 nan 8.270 nan 0.000 0.550 691 T N 0.959 115.492 114.554 -0.035 0.000 3.630 691 T HA 0.186 4.535 4.350 -0.001 0.000 0.238 691 T C -1.222 173.456 174.700 -0.037 0.000 1.195 691 T CA -0.611 61.468 62.100 -0.036 0.000 1.433 691 T CB -0.334 68.524 68.868 -0.018 0.000 0.940 691 T HN 0.361 nan 8.240 nan 0.000 0.641 692 D N 0.985 121.353 120.400 -0.054 0.000 2.255 692 D HA 0.310 4.949 4.640 -0.001 0.000 0.249 692 D C 1.488 177.723 176.300 -0.109 0.000 1.078 692 D CA -0.161 53.795 54.000 -0.073 0.000 0.896 692 D CB 1.484 42.225 40.800 -0.099 0.000 1.194 692 D HN 0.159 nan 8.370 nan 0.000 0.429 693 T N 1.370 115.864 114.554 -0.100 0.000 2.746 693 T HA -0.153 4.196 4.350 -0.001 0.000 0.267 693 T C 0.811 175.408 174.700 -0.171 0.000 1.039 693 T CA 1.034 63.064 62.100 -0.116 0.000 1.142 693 T CB -0.196 68.626 68.868 -0.075 0.000 0.866 693 T HN 0.521 nan 8.240 nan 0.000 0.444 694 R N -0.017 120.378 120.500 -0.174 0.000 2.604 694 R HA 0.772 5.111 4.340 -0.001 0.000 0.281 694 R C -1.770 174.368 176.300 -0.270 0.000 1.020 694 R CA -1.020 54.911 56.100 -0.281 0.000 0.899 694 R CB 1.738 32.004 30.300 -0.057 0.000 1.205 694 R HN 0.125 nan 8.270 nan 0.000 0.450 695 A N 2.043 124.623 122.820 -0.401 0.000 2.587 695 A HA 0.748 5.067 4.320 -0.001 0.000 0.293 695 A C -1.664 175.812 177.584 -0.179 0.000 1.087 695 A CA -0.799 51.060 52.037 -0.297 0.000 0.692 695 A CB 1.537 20.294 19.000 -0.405 0.000 1.291 695 A HN 0.874 nan 8.150 nan 0.000 0.407 696 H N -0.519 118.554 119.070 0.004 0.000 2.908 696 H HA 0.847 5.402 4.556 -0.001 0.000 0.350 696 H C -1.101 174.378 175.328 0.251 0.000 1.217 696 H CA -0.783 55.375 56.048 0.184 0.000 1.168 696 H CB 1.965 31.803 29.762 0.126 0.000 1.891 696 H HN 0.523 nan 8.280 nan 0.000 0.566 697 L N 2.250 123.671 121.223 0.329 0.000 2.710 697 L HA 0.253 4.592 4.340 -0.001 0.000 0.262 697 L C -1.763 175.228 176.870 0.202 0.000 0.940 697 L CA -0.637 54.306 54.840 0.172 0.000 0.944 697 L CB 1.365 43.458 42.059 0.057 0.000 1.348 697 L HN 0.520 nan 8.230 nan 0.000 0.425 698 L N 5.305 126.619 121.223 0.151 0.000 2.315 698 L HA 0.305 4.644 4.340 -0.001 0.000 0.283 698 L C 1.519 178.505 176.870 0.193 0.000 1.089 698 L CA 0.458 55.413 54.840 0.192 0.000 0.833 698 L CB 0.487 42.626 42.059 0.132 0.000 1.170 698 L HN 0.610 nan 8.230 nan 0.000 0.442 699 H N 4.690 123.794 119.070 0.057 0.000 2.352 699 H HA -0.128 4.428 4.556 -0.001 0.000 0.299 699 H C -0.430 174.758 175.328 -0.234 0.000 1.097 699 H CA 1.530 57.546 56.048 -0.054 0.000 1.311 699 H CB 0.108 29.926 29.762 0.092 0.000 1.377 699 H HN 0.484 nan 8.280 nan 0.000 0.504 700 Y N 0.635 121.004 120.300 0.116 0.000 2.594 700 Y HA 0.297 4.846 4.550 -0.001 0.000 0.338 700 Y C -2.283 173.610 175.900 -0.012 0.000 1.019 700 Y CA -3.115 55.004 58.100 0.032 0.000 1.306 700 Y CB 0.944 39.412 38.460 0.013 0.000 1.094 700 Y HN 0.073 nan 8.280 nan 0.000 0.534 701 P HA 0.386 nan 4.420 nan 0.000 0.279 701 P C -0.912 176.427 177.300 0.065 0.000 1.276 701 P CA -0.493 62.641 63.100 0.057 0.000 0.801 701 P CB 1.867 33.579 31.700 0.020 0.000 1.127 702 Q N -0.882 118.983 119.800 0.108 0.000 2.456 702 Q HA 0.415 4.754 4.340 -0.001 0.000 0.284 702 Q C -0.675 175.433 176.000 0.180 0.000 1.061 702 Q CA -0.903 54.983 55.803 0.139 0.000 0.799 702 Q CB 2.894 31.728 28.738 0.159 0.000 1.445 702 Q HN 0.305 nan 8.270 nan 0.000 0.411 703 R N 2.343 122.896 120.500 0.089 0.000 2.298 703 R HA 0.250 4.589 4.340 -0.001 0.000 0.310 703 R C -2.164 174.122 176.300 -0.022 0.000 1.068 703 R CA -1.521 54.587 56.100 0.014 0.000 0.957 703 R CB 0.549 30.848 30.300 -0.002 0.000 1.003 703 R HN 0.275 nan 8.270 nan 0.000 0.454 704 P HA -0.071 nan 4.420 nan 0.000 0.259 704 P C -0.488 176.738 177.300 -0.123 0.000 1.211 704 P CA 0.480 63.311 63.100 -0.449 0.000 0.810 704 P CB 0.206 31.488 31.700 -0.695 0.000 0.815 705 L N 4.333 125.561 121.223 0.008 0.000 2.490 705 L HA 0.048 4.387 4.340 -0.001 0.000 0.274 705 L C 0.628 177.526 176.870 0.047 0.000 1.201 705 L CA -0.074 54.790 54.840 0.040 0.000 0.869 705 L CB 0.022 42.124 42.059 0.072 0.000 1.123 705 L HN 0.192 nan 8.230 nan 0.000 0.484 706 V N 2.827 122.767 119.914 0.044 0.000 3.765 706 V HA -0.207 3.912 4.120 -0.001 0.000 0.447 706 V C 0.057 176.120 176.094 -0.052 0.000 0.680 706 V CA 0.656 62.975 62.300 0.032 0.000 1.894 706 V CB -1.600 30.294 31.823 0.118 0.000 2.321 706 V HN 1.033 nan 8.190 nan 0.000 0.492 707 Q N 2.215 121.969 119.800 -0.076 0.000 2.572 707 Q HA 0.906 5.246 4.340 -0.001 0.000 0.284 707 Q C -0.450 175.481 176.000 -0.116 0.000 1.091 707 Q CA -0.813 54.930 55.803 -0.099 0.000 0.840 707 Q CB 2.506 31.202 28.738 -0.070 0.000 1.433 707 Q HN 0.482 nan 8.270 nan 0.000 0.471 708 T N -0.047 114.447 114.554 -0.101 0.000 2.940 708 T HA 0.348 4.698 4.350 -0.001 0.000 0.288 708 T C 0.776 175.420 174.700 -0.094 0.000 1.033 708 T CA -0.784 61.266 62.100 -0.083 0.000 1.033 708 T CB 1.481 70.320 68.868 -0.048 0.000 1.079 708 T HN 0.535 nan 8.240 nan 0.000 0.496 709 R N 1.007 121.422 120.500 -0.141 0.000 2.083 709 R HA -0.115 4.225 4.340 -0.001 0.000 0.237 709 R C 2.460 178.610 176.300 -0.250 0.000 1.137 709 R CA 1.487 57.371 56.100 -0.361 0.000 0.951 709 R CB -0.570 29.197 30.300 -0.889 0.000 0.851 709 R HN 0.713 nan 8.270 nan 0.000 0.434 710 A N 1.313 124.055 122.820 -0.130 0.000 2.178 710 A HA -0.102 4.218 4.320 -0.001 0.000 0.218 710 A C 2.016 179.578 177.584 -0.038 0.000 1.157 710 A CA 0.698 52.708 52.037 -0.045 0.000 0.689 710 A CB -0.395 18.626 19.000 0.035 0.000 0.787 710 A HN 0.197 nan 8.150 nan 0.000 0.465 711 L N -0.121 121.084 121.223 -0.030 0.000 2.083 711 L HA -0.193 4.146 4.340 -0.001 0.000 0.209 711 L C 1.907 178.806 176.870 0.048 0.000 1.083 711 L CA 2.693 57.538 54.840 0.007 0.000 0.752 711 L CB -0.968 41.087 42.059 -0.006 0.000 0.899 711 L HN 0.520 nan 8.230 nan 0.000 0.433 712 D N -0.676 119.740 120.400 0.027 0.000 2.103 712 D HA -0.171 4.469 4.640 -0.001 0.000 0.199 712 D C 2.254 178.586 176.300 0.054 0.000 0.978 712 D CA 0.808 54.837 54.000 0.048 0.000 0.829 712 D CB 0.254 41.083 40.800 0.048 0.000 0.981 712 D HN 0.151 nan 8.370 nan 0.000 0.464 713 I N 0.810 121.392 120.570 0.019 0.000 2.179 713 I HA -0.220 3.950 4.170 -0.001 0.000 0.242 713 I C 2.420 178.516 176.117 -0.036 0.000 1.088 713 I CA 0.992 62.268 61.300 -0.041 0.000 1.357 713 I CB -1.005 36.874 38.000 -0.201 0.000 1.051 713 I HN 0.206 nan 8.210 nan 0.000 0.409 714 I N 0.645 121.189 120.570 -0.043 0.000 2.248 714 I HA -0.258 3.912 4.170 -0.001 0.000 0.248 714 I C 1.903 178.109 176.117 0.148 0.000 1.107 714 I CA 1.667 62.964 61.300 -0.006 0.000 1.373 714 I CB -0.557 37.443 38.000 0.001 0.000 1.055 714 I HN 0.523 nan 8.210 nan 0.000 0.418 715 G N -1.300 107.652 108.800 0.252 0.000 2.184 715 G HA2 -0.324 3.635 3.960 -0.001 0.000 0.206 715 G HA3 -0.324 3.635 3.960 -0.001 0.000 0.206 715 G C 0.742 175.916 174.900 0.457 0.000 0.995 715 G CA 0.132 45.505 45.100 0.455 0.000 0.651 715 G HN 0.308 nan 8.290 nan 0.000 0.511 716 Y N 2.025 122.460 120.300 0.225 0.000 2.352 716 Y HA 0.002 4.552 4.550 -0.001 0.000 0.292 716 Y C 2.853 178.802 175.900 0.082 0.000 1.136 716 Y CA 2.597 60.800 58.100 0.171 0.000 1.227 716 Y CB 0.061 38.574 38.460 0.088 0.000 0.991 716 Y HN 0.283 nan 8.280 nan 0.000 0.545 717 T N -0.158 114.474 114.554 0.131 0.000 2.821 717 T HA -0.150 4.200 4.350 -0.001 0.000 0.267 717 T C 1.611 176.284 174.700 -0.044 0.000 1.046 717 T CA 1.475 63.592 62.100 0.029 0.000 1.139 717 T CB -0.164 68.726 68.868 0.037 0.000 0.871 717 T HN 0.344 nan 8.240 nan 0.000 0.454 718 N N 1.092 119.760 118.700 -0.053 0.000 2.333 718 N HA 0.057 4.796 4.740 -0.001 0.000 0.178 718 N C 0.625 176.019 175.510 -0.194 0.000 1.018 718 N CA 0.668 53.645 53.050 -0.121 0.000 0.882 718 N CB 0.179 38.576 38.487 -0.149 0.000 0.984 718 N HN 0.366 nan 8.380 nan 0.000 0.434 719 R N 0.554 120.917 120.500 -0.228 0.000 2.585 719 R HA 0.300 4.640 4.340 -0.001 0.000 0.278 719 R C -2.452 173.665 176.300 -0.306 0.000 1.663 719 R CA -1.142 54.799 56.100 -0.265 0.000 1.592 719 R CB 2.018 32.072 30.300 -0.410 0.000 1.200 719 R HN 0.143 nan 8.270 nan 0.000 0.611 720 P HA 0.318 nan 4.420 nan 0.000 0.297 720 P C -0.566 176.577 177.300 -0.262 0.000 1.307 720 P CA -0.540 62.187 63.100 -0.622 0.000 0.773 720 P CB 1.244 32.791 31.700 -0.255 0.000 1.265 721 A N -0.941 121.860 122.820 -0.031 0.000 3.106 721 A HA 0.651 4.971 4.320 -0.001 0.000 0.227 721 A C 0.050 177.762 177.584 0.214 0.000 0.920 721 A CA 0.176 52.310 52.037 0.161 0.000 1.088 721 A CB -0.439 18.706 19.000 0.243 0.000 1.233 721 A HN 0.802 nan 8.150 nan 0.000 0.503 722 G N 0.014 108.910 108.800 0.160 0.000 2.340 722 G HA2 0.423 4.382 3.960 -0.001 0.000 0.298 722 G HA3 0.423 4.382 3.960 -0.001 0.000 0.298 722 G C -1.715 173.041 174.900 -0.241 0.000 1.498 722 G CA -0.805 44.244 45.100 -0.085 0.000 0.847 722 G HN 0.212 nan 8.290 nan 0.000 0.594 723 N N 0.172 118.693 118.700 -0.299 0.000 2.476 723 N HA 0.420 5.160 4.740 -0.001 0.000 0.276 723 N C -0.312 175.188 175.510 -0.016 0.000 1.204 723 N CA -0.823 52.127 53.050 -0.167 0.000 0.974 723 N CB 0.719 38.974 38.487 -0.385 0.000 1.204 723 N HN 0.426 nan 8.380 nan 0.000 0.543 724 N N 0.542 119.358 118.700 0.193 0.000 2.415 724 N HA 0.311 5.051 4.740 -0.001 0.000 0.246 724 N C -0.906 174.690 175.510 0.143 0.000 1.078 724 N CA -0.114 53.087 53.050 0.253 0.000 0.942 724 N CB 0.869 39.497 38.487 0.236 0.000 1.140 724 N HN 0.512 nan 8.380 nan 0.000 0.501 725 A N 2.658 125.586 122.820 0.181 0.000 2.306 725 A HA 0.527 4.846 4.320 -0.001 0.000 0.330 725 A C 0.201 177.842 177.584 0.095 0.000 1.146 725 A CA -0.632 51.481 52.037 0.128 0.000 0.827 725 A CB 0.591 19.693 19.000 0.171 0.000 1.178 725 A HN 0.572 nan 8.150 nan 0.000 0.490 726 I N 1.399 121.996 120.570 0.046 0.000 2.436 726 I HA 0.141 4.310 4.170 -0.001 0.000 0.289 726 I C -0.212 175.880 176.117 -0.041 0.000 1.083 726 I CA 0.332 61.650 61.300 0.030 0.000 1.372 726 I CB 0.820 38.854 38.000 0.058 0.000 1.408 726 I HN 0.488 nan 8.210 nan 0.000 0.516 727 L N 8.255 129.459 121.223 -0.031 0.000 2.272 727 L HA 0.666 5.005 4.340 -0.001 0.000 0.284 727 L C 0.087 176.854 176.870 -0.171 0.000 1.045 727 L CA -0.116 54.684 54.840 -0.067 0.000 0.842 727 L CB 0.499 42.616 42.059 0.097 0.000 1.224 727 L HN 0.651 nan 8.230 nan 0.000 0.430 728 A N 4.773 127.341 122.820 -0.421 0.000 2.289 728 A HA 0.588 4.908 4.320 -0.001 0.000 0.298 728 A C -0.336 177.097 177.584 -0.252 0.000 1.208 728 A CA -0.538 51.102 52.037 -0.662 0.000 0.845 728 A CB 0.738 18.941 19.000 -1.329 0.000 1.125 728 A HN 0.458 nan 8.150 nan 0.000 0.517 729 V N 5.358 125.239 119.914 -0.055 0.000 2.222 729 V HA 0.208 4.327 4.120 -0.001 0.000 0.253 729 V C -0.166 175.909 176.094 -0.032 0.000 1.210 729 V CA 0.408 62.679 62.300 -0.047 0.000 1.079 729 V CB -1.299 30.457 31.823 -0.112 0.000 1.265 729 V HN 0.657 nan 8.190 nan 0.000 0.494 730 I N 2.489 123.043 120.570 -0.027 0.000 2.530 730 I HA 0.395 4.565 4.170 -0.001 0.000 0.297 730 I C 0.558 176.732 176.117 0.095 0.000 1.011 730 I CA -0.523 60.802 61.300 0.042 0.000 1.107 730 I CB 2.371 40.409 38.000 0.063 0.000 1.285 730 I HN 0.453 nan 8.210 nan 0.000 0.436 731 S N 5.361 121.130 115.700 0.115 0.000 3.036 731 S HA 0.422 4.891 4.470 -0.001 0.000 0.301 731 S C -0.685 174.029 174.600 0.190 0.000 1.205 731 S CA -0.429 57.863 58.200 0.152 0.000 0.999 731 S CB -0.396 62.912 63.200 0.180 0.000 1.337 731 S HN 0.462 nan 8.310 nan 0.000 0.515 732 F N 2.488 122.458 119.950 0.034 0.000 2.598 732 F HA 0.642 5.169 4.527 -0.001 0.000 0.327 732 F C 0.992 176.825 175.800 0.055 0.000 1.057 732 F CA 0.320 58.342 58.000 0.036 0.000 0.957 732 F CB 1.364 40.383 39.000 0.032 0.000 1.278 732 F HN 0.710 nan 8.300 nan 0.000 0.484 733 T N 1.307 115.308 114.554 -0.923 0.000 13.670 733 T HA -0.288 4.062 4.350 -0.001 0.000 0.415 733 T C 0.956 175.554 174.700 -0.171 0.000 1.443 733 T CA 2.040 63.839 62.100 -0.502 0.000 2.307 733 T CB -1.533 67.310 68.868 -0.041 0.000 2.689 733 T HN 1.358 nan 8.240 nan 0.000 0.291 734 G N -1.302 107.505 108.800 0.012 0.000 2.707 734 G HA2 0.285 4.245 3.960 -0.001 0.000 0.204 734 G HA3 0.285 4.245 3.960 -0.001 0.000 0.204 734 G C 0.780 175.595 174.900 -0.142 0.000 1.435 734 G CA 1.689 46.520 45.100 -0.448 0.000 0.890 734 G HN 0.946 nan 8.290 nan 0.000 0.552 735 Y N -1.502 118.779 120.300 -0.032 0.000 2.974 735 Y HA -0.015 4.535 4.550 -0.001 0.000 0.347 735 Y C 0.580 176.466 175.900 -0.022 0.000 0.900 735 Y CA 0.011 58.094 58.100 -0.028 0.000 0.880 735 Y CB -0.627 37.820 38.460 -0.021 0.000 1.353 735 Y HN 0.535 nan 8.280 nan 0.000 0.514 736 N N 0.484 119.275 118.700 0.152 0.000 2.761 736 N HA 0.451 5.191 4.740 -0.001 0.000 0.317 736 N C -0.344 175.198 175.510 0.053 0.000 1.546 736 N CA -0.139 52.959 53.050 0.079 0.000 1.015 736 N CB 0.336 38.859 38.487 0.060 0.000 1.343 736 N HN 0.052 nan 8.380 nan 0.000 0.504 737 M N 0.105 119.722 119.600 0.029 0.000 2.494 737 M HA 0.270 4.750 4.480 -0.001 0.000 0.300 737 M C 0.015 176.312 176.300 -0.005 0.000 1.189 737 M CA -0.686 54.611 55.300 -0.005 0.000 0.982 737 M CB 0.796 33.365 32.600 -0.051 0.000 1.534 737 M HN 0.172 nan 8.290 nan 0.000 0.488 738 E N 2.313 122.502 120.200 -0.018 0.000 2.446 738 E HA -0.222 4.127 4.350 -0.001 0.000 0.162 738 E C -0.828 175.772 176.600 -0.001 0.000 1.797 738 E CA 0.667 57.058 56.400 -0.014 0.000 0.619 738 E CB -1.493 28.192 29.700 -0.025 0.000 1.050 738 E HN 0.699 nan 8.360 nan 0.000 0.321 739 D N 0.109 120.516 120.400 0.010 0.000 2.779 739 D HA -0.202 4.437 4.640 -0.001 0.000 0.223 739 D C -0.607 175.704 176.300 0.018 0.000 1.227 739 D CA 1.610 55.619 54.000 0.016 0.000 0.653 739 D CB -0.455 40.347 40.800 0.003 0.000 0.973 739 D HN 0.324 nan 8.370 nan 0.000 0.402 740 S N -0.062 115.653 115.700 0.024 0.000 2.671 740 S HA 0.831 5.300 4.470 -0.001 0.000 0.299 740 S C -0.653 173.954 174.600 0.013 0.000 1.116 740 S CA -0.913 57.300 58.200 0.022 0.000 0.912 740 S CB 1.808 65.025 63.200 0.028 0.000 1.130 740 S HN 0.300 nan 8.310 nan 0.000 0.501 741 I N 2.576 123.133 120.570 -0.021 0.000 2.828 741 I HA 0.629 4.799 4.170 -0.001 0.000 0.302 741 I C -1.636 174.404 176.117 -0.129 0.000 1.101 741 I CA -1.058 60.191 61.300 -0.085 0.000 1.031 741 I CB 1.662 39.582 38.000 -0.134 0.000 1.231 741 I HN 0.672 nan 8.210 nan 0.000 0.427 742 I N 7.630 128.110 120.570 -0.150 0.000 2.466 742 I HA 0.442 4.611 4.170 -0.001 0.000 0.289 742 I C -1.707 174.288 176.117 -0.204 0.000 1.026 742 I CA -0.694 60.520 61.300 -0.144 0.000 1.078 742 I CB 1.863 39.844 38.000 -0.032 0.000 1.249 742 I HN 0.757 nan 8.210 nan 0.000 0.429 743 M N 6.725 126.191 119.600 -0.223 0.000 2.465 743 M HA 0.368 4.848 4.480 -0.001 0.000 0.316 743 M C -0.409 175.806 176.300 -0.142 0.000 1.121 743 M CA -0.687 54.475 55.300 -0.229 0.000 0.934 743 M CB 1.574 33.979 32.600 -0.326 0.000 1.692 743 M HN 0.554 nan 8.290 nan 0.000 0.444 744 N N 3.202 121.839 118.700 -0.105 0.000 2.429 744 N HA -0.006 4.734 4.740 -0.001 0.000 0.271 744 N C 0.705 176.182 175.510 -0.055 0.000 1.272 744 N CA 0.509 53.522 53.050 -0.062 0.000 0.921 744 N CB 0.573 39.035 38.487 -0.042 0.000 1.128 744 N HN 0.767 nan 8.380 nan 0.000 0.481 745 R N 2.544 123.013 120.500 -0.051 0.000 2.105 745 R HA -0.094 4.245 4.340 -0.001 0.000 0.239 745 R C 1.262 177.542 176.300 -0.032 0.000 1.135 745 R CA 1.801 57.874 56.100 -0.044 0.000 0.967 745 R CB -0.010 30.266 30.300 -0.040 0.000 0.861 745 R HN 0.461 nan 8.270 nan 0.000 0.442 746 S N -0.139 115.545 115.700 -0.027 0.000 2.436 746 S HA -0.001 4.468 4.470 -0.001 0.000 0.228 746 S C 1.769 176.350 174.600 -0.031 0.000 1.014 746 S CA 1.028 59.213 58.200 -0.025 0.000 0.950 746 S CB 0.228 63.416 63.200 -0.019 0.000 0.784 746 S HN 0.354 nan 8.310 nan 0.000 0.504 747 S N 1.123 116.805 115.700 -0.030 0.000 2.436 747 S HA 0.026 4.495 4.470 -0.001 0.000 0.228 747 S C 1.858 176.436 174.600 -0.037 0.000 1.014 747 S CA 0.491 58.670 58.200 -0.036 0.000 0.950 747 S CB -0.120 63.066 63.200 -0.025 0.000 0.784 747 S HN 0.322 nan 8.310 nan 0.000 0.504 748 V N 1.910 121.811 119.914 -0.022 0.000 2.548 748 V HA -0.072 4.048 4.120 -0.001 0.000 0.249 748 V C 2.044 178.120 176.094 -0.029 0.000 1.055 748 V CA 1.317 63.611 62.300 -0.010 0.000 1.065 748 V CB -0.513 31.309 31.823 -0.001 0.000 0.681 748 V HN 0.485 nan 8.190 nan 0.000 0.462 749 E N -0.141 120.040 120.200 -0.033 0.000 2.418 749 E HA -0.101 4.248 4.350 -0.001 0.000 0.197 749 E C 2.056 178.626 176.600 -0.050 0.000 1.026 749 E CA 0.430 56.810 56.400 -0.032 0.000 0.862 749 E CB -0.018 29.666 29.700 -0.026 0.000 0.799 749 E HN 0.498 nan 8.360 nan 0.000 0.518 750 R N -0.932 119.523 120.500 -0.074 0.000 2.334 750 R HA 0.092 4.432 4.340 -0.001 0.000 0.216 750 R C 0.964 177.134 176.300 -0.216 0.000 0.905 750 R CA 0.517 56.548 56.100 -0.116 0.000 1.064 750 R CB 0.928 31.164 30.300 -0.106 0.000 1.046 750 R HN 0.223 nan 8.270 nan 0.000 0.508 751 G N 0.428 109.112 108.800 -0.193 0.000 2.229 751 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.189 751 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.189 751 G C 0.103 174.870 174.900 -0.221 0.000 1.000 751 G CA -0.378 44.550 45.100 -0.287 0.000 0.663 751 G HN 0.212 nan 8.290 nan 0.000 0.493 752 M N 0.730 120.235 119.600 -0.158 0.000 2.238 752 M HA 0.458 4.938 4.480 -0.001 0.000 0.350 752 M C 0.986 177.315 176.300 0.048 0.000 1.321 752 M CA 0.210 55.430 55.300 -0.134 0.000 1.097 752 M CB -0.081 32.448 32.600 -0.119 0.000 1.713 752 M HN 0.550 nan 8.290 nan 0.000 0.455 753 Y N 1.073 121.416 120.300 0.072 0.000 4.490 753 Y HA -0.272 4.277 4.550 -0.001 0.000 0.233 753 Y C 0.052 175.987 175.900 0.059 0.000 1.101 753 Y CA 0.599 58.766 58.100 0.112 0.000 2.010 753 Y CB -1.897 36.711 38.460 0.246 0.000 1.622 753 Y HN 0.631 nan 8.280 nan 0.000 0.675 754 R N 1.023 121.577 120.500 0.089 0.000 2.438 754 R HA 0.528 4.867 4.340 -0.001 0.000 0.287 754 R C 0.608 176.791 176.300 -0.194 0.000 1.077 754 R CA 0.477 56.513 56.100 -0.107 0.000 1.034 754 R CB 1.087 31.224 30.300 -0.272 0.000 0.993 754 R HN 0.316 nan 8.270 nan 0.000 0.459 755 S N 0.644 116.262 115.700 -0.137 0.000 2.667 755 S HA 0.543 5.013 4.470 -0.001 0.000 0.292 755 S C -0.582 174.114 174.600 0.159 0.000 1.126 755 S CA -0.791 57.465 58.200 0.095 0.000 0.881 755 S CB 2.365 65.672 63.200 0.179 0.000 1.132 755 S HN 0.380 nan 8.310 nan 0.000 0.492 756 T N 1.987 116.700 114.554 0.264 0.000 2.848 756 T HA 0.540 4.889 4.350 -0.001 0.000 0.285 756 T C -1.438 173.118 174.700 -0.239 0.000 0.995 756 T CA -0.282 61.839 62.100 0.034 0.000 0.970 756 T CB 0.682 69.526 68.868 -0.040 0.000 0.976 756 T HN 0.531 nan 8.240 nan 0.000 0.441 757 F N 3.547 123.239 119.950 -0.429 0.000 2.399 757 F HA 0.727 5.254 4.527 -0.001 0.000 0.334 757 F C -1.445 173.988 175.800 -0.611 0.000 1.097 757 F CA -1.570 56.125 58.000 -0.509 0.000 1.076 757 F CB 0.577 39.388 39.000 -0.316 0.000 1.162 757 F HN 0.441 nan 8.300 nan 0.000 0.495 758 F N 5.500 124.887 119.950 -0.938 0.000 2.449 758 F HA 0.540 5.067 4.527 -0.001 0.000 0.342 758 F C -0.031 175.196 175.800 -0.955 0.000 1.127 758 F CA -0.696 56.911 58.000 -0.655 0.000 0.975 758 F CB 1.609 40.400 39.000 -0.348 0.000 1.146 758 F HN 0.423 nan 8.300 nan 0.000 0.444 759 R N 2.834 123.074 120.500 -0.433 0.000 2.873 759 R HA 0.872 5.211 4.340 -0.001 0.000 0.264 759 R C -2.027 174.100 176.300 -0.289 0.000 1.026 759 R CA -0.802 55.064 56.100 -0.390 0.000 1.002 759 R CB 1.795 31.931 30.300 -0.273 0.000 1.174 759 R HN 0.810 nan 8.270 nan 0.000 0.488 760 L N 2.479 123.475 121.223 -0.379 0.000 2.401 760 L HA 0.555 4.894 4.340 -0.001 0.000 0.266 760 L C -1.770 174.859 176.870 -0.402 0.000 0.991 760 L CA -0.644 54.035 54.840 -0.267 0.000 0.818 760 L CB 1.723 43.699 42.059 -0.139 0.000 1.321 760 L HN 0.693 nan 8.230 nan 0.000 0.413 761 Y N 2.502 122.809 120.300 0.011 0.000 2.391 761 Y HA 0.709 5.259 4.550 -0.001 0.000 0.341 761 Y C -0.065 175.844 175.900 0.016 0.000 0.965 761 Y CA -0.598 57.513 58.100 0.017 0.000 1.067 761 Y CB 2.410 40.883 38.460 0.020 0.000 1.199 761 Y HN 0.473 nan 8.280 nan 0.000 0.450 762 S N 1.045 116.839 115.700 0.156 0.000 2.547 762 S HA 0.849 5.318 4.470 -0.001 0.000 0.270 762 S C -1.439 173.206 174.600 0.075 0.000 1.150 762 S CA -0.450 57.809 58.200 0.098 0.000 0.850 762 S CB 1.599 64.836 63.200 0.061 0.000 1.118 762 S HN 0.590 nan 8.310 nan 0.000 0.461 763 T N 2.574 117.163 114.554 0.057 0.000 3.041 763 T HA 0.386 4.735 4.350 -0.001 0.000 0.321 763 T C -1.261 173.456 174.700 0.027 0.000 1.184 763 T CA -0.888 61.236 62.100 0.040 0.000 1.050 763 T CB 1.493 70.385 68.868 0.041 0.000 1.159 763 T HN 0.750 nan 8.240 nan 0.000 0.469 764 E N 1.960 122.169 120.200 0.015 0.000 2.283 764 E HA 0.383 4.733 4.350 -0.001 0.000 0.267 764 E C -0.856 175.737 176.600 -0.012 0.000 1.045 764 E CA -0.864 55.539 56.400 0.005 0.000 0.884 764 E CB 1.190 30.892 29.700 0.003 0.000 1.106 764 E HN 0.557 nan 8.360 nan 0.000 0.408 765 E N 2.309 122.499 120.200 -0.017 0.000 1.996 765 E HA 0.111 4.460 4.350 -0.001 0.000 0.280 765 E C 0.355 176.911 176.600 -0.073 0.000 1.092 765 E CA -0.391 55.991 56.400 -0.031 0.000 0.862 765 E CB 1.448 31.138 29.700 -0.016 0.000 1.066 765 E HN 0.385 nan 8.360 nan 0.000 0.396 766 V N 3.223 123.071 119.914 -0.111 0.000 4.161 766 V HA -0.133 3.986 4.120 -0.001 0.000 0.273 766 V C 0.692 176.617 176.094 -0.282 0.000 0.891 766 V CA 1.188 63.349 62.300 -0.232 0.000 0.901 766 V CB 0.777 32.463 31.823 -0.228 0.000 1.177 766 V HN 0.636 nan 8.190 nan 0.000 0.420 767 K N -3.092 117.045 120.400 -0.439 0.000 1.707 767 K HA 0.380 4.699 4.320 -0.001 0.000 0.288 767 K C -0.611 175.920 176.600 -0.115 0.000 0.837 767 K CA -0.160 55.943 56.287 -0.306 0.000 0.495 767 K CB 0.173 32.388 32.500 -0.474 0.000 2.907 767 K HN 0.506 nan 8.250 nan 0.000 1.026 768 Y N -0.479 119.830 120.300 0.015 0.000 2.794 768 Y HA 0.328 4.878 4.550 -0.001 0.000 0.215 768 Y C -1.466 174.442 175.900 0.013 0.000 2.025 768 Y CA -0.514 57.595 58.100 0.016 0.000 1.160 768 Y CB -0.721 37.749 38.460 0.016 0.000 1.306 768 Y HN 0.327 nan 8.280 nan 0.000 0.472 769 P HA -0.019 nan 4.420 nan 0.000 0.212 769 P C 1.186 178.531 177.300 0.075 0.000 1.180 769 P CA 2.116 65.275 63.100 0.097 0.000 0.906 769 P CB -0.408 31.320 31.700 0.047 0.000 0.782 770 G N -0.138 108.703 108.800 0.068 0.000 2.911 770 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.193 770 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.193 770 G C 1.554 176.480 174.900 0.042 0.000 1.364 770 G CA 1.442 46.571 45.100 0.048 0.000 0.798 770 G HN 0.410 nan 8.290 nan 0.000 0.749 771 G N -0.113 108.710 108.800 0.039 0.000 3.025 771 G HA2 -0.088 3.871 3.960 -0.001 0.000 0.219 771 G HA3 -0.088 3.871 3.960 -0.001 0.000 0.219 771 G C 1.318 176.234 174.900 0.027 0.000 1.229 771 G CA 3.523 48.640 45.100 0.028 0.000 0.764 771 G HN 1.160 nan 8.290 nan 0.000 0.857 772 Q N -2.596 117.220 119.800 0.027 0.000 2.121 772 Q HA 0.197 4.536 4.340 -0.001 0.000 0.158 772 Q C 0.509 176.522 176.000 0.022 0.000 0.676 772 Q CA 0.862 56.680 55.803 0.026 0.000 0.886 772 Q CB 0.745 29.493 28.738 0.017 0.000 1.157 772 Q HN 0.674 nan 8.270 nan 0.000 0.333 773 E N 0.092 120.297 120.200 0.008 0.000 2.310 773 E HA 0.280 4.629 4.350 -0.001 0.000 0.264 773 E C -1.913 174.678 176.600 -0.014 0.000 1.309 773 E CA -0.410 55.986 56.400 -0.006 0.000 0.900 773 E CB 0.751 30.451 29.700 0.001 0.000 1.496 773 E HN 0.052 nan 8.360 nan 0.000 0.433 774 D N 0.824 121.210 120.400 -0.022 0.000 2.502 774 D HA 0.438 5.078 4.640 -0.001 0.000 0.249 774 D C -0.972 175.323 176.300 -0.008 0.000 1.092 774 D CA -0.384 53.605 54.000 -0.017 0.000 0.839 774 D CB 1.764 42.546 40.800 -0.029 0.000 1.264 774 D HN 0.233 nan 8.370 nan 0.000 0.511 775 K N 1.271 121.671 120.400 -0.001 0.000 2.211 775 K HA 0.596 4.915 4.320 -0.001 0.000 0.237 775 K C -0.184 176.422 176.600 0.010 0.000 1.002 775 K CA -0.958 55.330 56.287 0.003 0.000 0.885 775 K CB 2.050 34.551 32.500 0.002 0.000 1.136 775 K HN 0.305 nan 8.250 nan 0.000 0.448 776 I N 2.814 123.392 120.570 0.013 0.000 2.337 776 I HA 0.182 4.352 4.170 -0.001 0.000 0.285 776 I C -0.769 175.361 176.117 0.021 0.000 1.041 776 I CA -0.540 60.773 61.300 0.022 0.000 1.199 776 I CB 0.918 38.933 38.000 0.025 0.000 1.370 776 I HN 0.161 nan 8.210 nan 0.000 0.470 777 V N 5.320 125.247 119.914 0.021 0.000 3.181 777 V HA 0.445 4.564 4.120 -0.001 0.000 0.308 777 V C -0.050 176.053 176.094 0.015 0.000 1.214 777 V CA -1.195 61.113 62.300 0.012 0.000 1.053 777 V CB 2.173 33.992 31.823 -0.005 0.000 1.069 777 V HN 0.646 nan 8.190 nan 0.000 0.441 778 M N 0.869 120.470 119.600 0.001 0.000 2.156 778 M HA 0.490 4.969 4.480 -0.001 0.000 0.345 778 M C -2.571 173.655 176.300 -0.123 0.000 1.398 778 M CA -1.239 54.037 55.300 -0.040 0.000 1.148 778 M CB -0.301 32.296 32.600 -0.006 0.000 1.663 778 M HN 0.307 nan 8.290 nan 0.000 0.464 779 P HA -0.016 nan 4.420 nan 0.000 0.269 779 P C -0.601 176.569 177.300 -0.215 0.000 1.211 779 P CA -0.099 62.928 63.100 -0.122 0.000 0.781 779 P CB 0.437 32.121 31.700 -0.027 0.000 0.877 780 E N 3.082 123.154 120.200 -0.214 0.000 2.366 780 E HA 0.027 4.376 4.350 -0.001 0.000 0.266 780 E C -1.630 174.591 176.600 -0.633 0.000 1.015 780 E CA -1.438 54.781 56.400 -0.303 0.000 0.906 780 E CB -0.221 29.363 29.700 -0.195 0.000 0.979 780 E HN 0.262 nan 8.360 nan 0.000 0.443 781 P HA -0.146 nan 4.420 nan 0.000 0.220 781 P C 0.043 176.773 177.300 -0.949 0.000 1.142 781 P CA 1.558 63.897 63.100 -1.268 0.000 0.801 781 P CB 0.245 31.642 31.700 -0.506 0.000 0.764 782 G N -1.918 106.579 108.800 -0.506 0.000 3.234 782 G HA2 0.345 4.305 3.960 -0.001 0.000 0.159 782 G HA3 0.345 4.305 3.960 -0.001 0.000 0.159 782 G C -0.839 173.981 174.900 -0.134 0.000 1.175 782 G CA -0.425 44.535 45.100 -0.234 0.000 0.900 782 G HN -0.184 nan 8.290 nan 0.000 0.621 783 V N 0.935 120.807 119.914 -0.071 0.000 2.800 783 V HA 0.169 4.289 4.120 -0.001 0.000 0.299 783 V C 0.519 176.595 176.094 -0.029 0.000 1.151 783 V CA 0.923 63.203 62.300 -0.033 0.000 1.297 783 V CB -0.299 31.506 31.823 -0.032 0.000 0.835 783 V HN 0.860 nan 8.190 nan 0.000 0.484 784 R N 3.797 124.302 120.500 0.009 0.000 2.626 784 R HA 0.640 4.979 4.340 -0.001 0.000 0.274 784 R C 0.284 176.622 176.300 0.062 0.000 1.031 784 R CA 0.212 56.330 56.100 0.030 0.000 0.898 784 R CB 1.689 31.997 30.300 0.014 0.000 1.222 784 R HN 1.255 nan 8.270 nan 0.000 0.455 785 G N 1.846 110.691 108.800 0.075 0.000 2.131 785 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.223 785 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.223 785 G C -0.787 174.183 174.900 0.117 0.000 0.990 785 G CA 0.213 45.356 45.100 0.072 0.000 0.671 785 G HN 0.554 nan 8.290 nan 0.000 0.521 786 Y N 1.701 122.005 120.300 0.007 0.000 2.620 786 Y HA 0.368 4.917 4.550 -0.001 0.000 0.330 786 Y C 1.736 177.659 175.900 0.039 0.000 1.186 786 Y CA 0.656 58.778 58.100 0.038 0.000 1.467 786 Y CB 0.603 39.064 38.460 0.001 0.000 1.262 786 Y HN 0.174 nan 8.280 nan 0.000 0.550 787 K N 4.198 124.379 120.400 -0.366 0.000 2.103 787 K HA 0.170 4.489 4.320 -0.001 0.000 0.204 787 K C 0.930 177.128 176.600 -0.670 0.000 1.052 787 K CA 0.780 56.759 56.287 -0.514 0.000 0.945 787 K CB -0.339 31.819 32.500 -0.570 0.000 0.722 787 K HN 1.038 nan 8.250 nan 0.000 0.443 788 G N 1.316 109.579 108.800 -0.896 0.000 2.728 788 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.294 788 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.294 788 G C -0.601 174.282 174.900 -0.028 0.000 1.342 788 G CA -0.395 44.509 45.100 -0.327 0.000 0.866 788 G HN 0.057 nan 8.290 nan 0.000 0.534 789 K N -1.748 118.758 120.400 0.176 0.000 1.898 789 K HA -0.225 4.095 4.320 -0.001 0.000 0.256 789 K C 0.932 177.686 176.600 0.256 0.000 1.652 789 K CA 2.083 58.497 56.287 0.211 0.000 0.589 789 K CB -1.222 31.421 32.500 0.238 0.000 0.785 789 K HN 0.789 nan 8.250 nan 0.000 0.824 790 E N 0.251 120.591 120.200 0.234 0.000 2.437 790 E HA 0.148 4.498 4.350 -0.001 0.000 0.195 790 E C 1.035 177.661 176.600 0.043 0.000 1.029 790 E CA 0.084 56.561 56.400 0.127 0.000 0.948 790 E CB -0.155 29.572 29.700 0.044 0.000 1.082 790 E HN 0.344 nan 8.360 nan 0.000 0.456 791 Y N -1.128 119.071 120.300 -0.168 0.000 2.421 791 Y HA -0.130 4.419 4.550 -0.001 0.000 0.292 791 Y C 0.663 176.256 175.900 -0.512 0.000 1.136 791 Y CA 0.927 58.794 58.100 -0.388 0.000 1.255 791 Y CB -0.026 38.080 38.460 -0.590 0.000 0.991 791 Y HN 0.233 nan 8.280 nan 0.000 0.552 792 Y N -1.650 118.705 120.300 0.091 0.000 2.555 792 Y HA 0.204 4.754 4.550 -0.001 0.000 0.259 792 Y C 1.991 177.919 175.900 0.047 0.000 1.179 792 Y CA -0.604 57.532 58.100 0.060 0.000 1.230 792 Y CB 0.016 38.531 38.460 0.092 0.000 1.146 792 Y HN -0.166 nan 8.280 nan 0.000 0.526 793 R N 1.218 121.784 120.500 0.110 0.000 2.096 793 R HA -0.071 4.269 4.340 -0.001 0.000 0.235 793 R C 1.192 177.521 176.300 0.048 0.000 1.127 793 R CA 1.704 57.848 56.100 0.073 0.000 0.968 793 R CB -0.593 29.722 30.300 0.025 0.000 0.861 793 R HN 0.424 nan 8.270 nan 0.000 0.440 794 L N 0.316 121.552 121.223 0.021 0.000 2.558 794 L HA 0.189 4.528 4.340 -0.001 0.000 0.225 794 L C 0.300 177.188 176.870 0.029 0.000 1.128 794 L CA -0.316 54.529 54.840 0.009 0.000 0.868 794 L CB -0.198 41.846 42.059 -0.025 0.000 1.006 794 L HN 0.056 nan 8.230 nan 0.000 0.454 795 L N 0.739 122.001 121.223 0.064 0.000 2.426 795 L HA 0.156 4.495 4.340 -0.001 0.000 0.271 795 L C 0.368 177.274 176.870 0.059 0.000 1.169 795 L CA 0.120 55.004 54.840 0.074 0.000 0.836 795 L CB 0.568 42.704 42.059 0.129 0.000 1.112 795 L HN 0.069 nan 8.230 nan 0.000 0.465 796 E N 2.311 122.538 120.200 0.045 0.000 2.145 796 E HA 0.187 4.536 4.350 -0.001 0.000 0.262 796 E C -0.364 176.255 176.600 0.032 0.000 0.883 796 E CA -0.260 56.161 56.400 0.035 0.000 0.748 796 E CB 1.674 31.390 29.700 0.027 0.000 1.140 796 E HN 0.640 nan 8.360 nan 0.000 0.417 797 D N 2.081 122.498 120.400 0.030 0.000 4.590 797 D HA -0.408 4.231 4.640 -0.001 0.000 0.236 797 D C 1.127 177.440 176.300 0.022 0.000 0.534 797 D CA 2.738 56.751 54.000 0.023 0.000 1.368 797 D CB -0.992 39.819 40.800 0.018 0.000 0.860 797 D HN 0.630 nan 8.370 nan 0.000 0.382 798 N N 0.699 119.412 118.700 0.022 0.000 2.149 798 N HA 0.046 4.785 4.740 -0.001 0.000 0.188 798 N C 1.503 177.029 175.510 0.027 0.000 1.019 798 N CA 2.117 55.180 53.050 0.021 0.000 0.857 798 N CB -0.199 38.300 38.487 0.020 0.000 0.997 798 N HN 0.822 nan 8.380 nan 0.000 0.426 799 G N -2.112 106.711 108.800 0.037 0.000 2.215 799 G HA2 -0.004 3.955 3.960 -0.001 0.000 0.187 799 G HA3 -0.004 3.955 3.960 -0.001 0.000 0.187 799 G C -0.877 174.057 174.900 0.055 0.000 1.039 799 G CA -0.097 45.035 45.100 0.053 0.000 0.771 799 G HN 0.273 nan 8.290 nan 0.000 0.507 800 V N 1.313 121.253 119.914 0.043 0.000 2.760 800 V HA 0.682 4.802 4.120 -0.001 0.000 0.309 800 V C 0.978 177.089 176.094 0.029 0.000 1.077 800 V CA -0.508 61.813 62.300 0.035 0.000 0.910 800 V CB 2.109 33.950 31.823 0.031 0.000 1.008 800 V HN 1.057 nan 8.190 nan 0.000 0.424 801 V N 2.295 122.221 119.914 0.020 0.000 3.032 801 V HA 0.459 4.578 4.120 -0.001 0.000 0.307 801 V C 0.745 176.850 176.094 0.018 0.000 1.097 801 V CA 0.164 62.473 62.300 0.015 0.000 1.191 801 V CB 1.047 32.870 31.823 0.001 0.000 0.964 801 V HN 1.115 nan 8.190 nan 0.000 0.494 802 S N 3.395 119.105 115.700 0.016 0.000 2.601 802 S HA 0.478 4.947 4.470 -0.001 0.000 0.271 802 S C -1.508 173.102 174.600 0.018 0.000 1.305 802 S CA -0.917 57.292 58.200 0.016 0.000 1.022 802 S CB 1.186 64.395 63.200 0.015 0.000 0.940 802 S HN 0.880 nan 8.310 nan 0.000 0.525 803 P HA 0.331 nan 4.420 nan 0.000 0.249 803 P C -0.346 176.969 177.300 0.025 0.000 1.544 803 P CA 0.193 63.308 63.100 0.024 0.000 0.932 803 P CB -0.038 31.675 31.700 0.020 0.000 1.524 804 E N -0.271 119.941 120.200 0.021 0.000 3.918 804 E HA 0.202 4.551 4.350 -0.001 0.000 0.183 804 E C -0.923 175.687 176.600 0.017 0.000 1.021 804 E CA -0.276 56.137 56.400 0.022 0.000 1.431 804 E CB 1.235 30.946 29.700 0.019 0.000 1.140 804 E HN -0.024 nan 8.360 nan 0.000 0.435 805 V N 0.969 120.892 119.914 0.015 0.000 2.513 805 V HA 0.265 4.384 4.120 -0.001 0.000 0.299 805 V C 0.301 176.397 176.094 0.004 0.000 1.035 805 V CA -0.746 61.558 62.300 0.007 0.000 0.889 805 V CB 2.019 33.843 31.823 0.001 0.000 0.988 805 V HN 0.142 nan 8.190 nan 0.000 0.440 806 E N 2.669 122.867 120.200 -0.002 0.000 2.324 806 E HA 0.392 4.741 4.350 -0.001 0.000 0.271 806 E C -0.945 175.641 176.600 -0.023 0.000 1.028 806 E CA -0.002 56.394 56.400 -0.007 0.000 0.890 806 E CB 1.303 30.998 29.700 -0.009 0.000 1.004 806 E HN 0.403 nan 8.360 nan 0.000 0.431 807 V N 3.885 123.785 119.914 -0.022 0.000 2.709 807 V HA 0.399 4.518 4.120 -0.001 0.000 0.308 807 V C 0.003 176.070 176.094 -0.045 0.000 1.062 807 V CA -0.717 61.557 62.300 -0.044 0.000 0.901 807 V CB 1.914 33.714 31.823 -0.039 0.000 1.003 807 V HN 0.605 nan 8.190 nan 0.000 0.425 808 K N 1.299 121.652 120.400 -0.079 0.000 2.213 808 K HA 0.693 5.013 4.320 -0.001 0.000 0.254 808 K C 1.071 177.606 176.600 -0.108 0.000 1.062 808 K CA -0.199 56.039 56.287 -0.081 0.000 0.884 808 K CB 1.837 34.283 32.500 -0.090 0.000 1.437 808 K HN 0.810 nan 8.250 nan 0.000 0.464 809 G N 0.451 109.182 108.800 -0.115 0.000 2.808 809 G HA2 -0.360 3.600 3.960 -0.001 0.000 0.470 809 G HA3 -0.360 3.600 3.960 -0.001 0.000 0.470 809 G C 0.591 175.433 174.900 -0.096 0.000 1.041 809 G CA 0.989 46.012 45.100 -0.128 0.000 0.839 809 G HN 0.662 nan 8.290 nan 0.000 0.825 810 G N 0.023 108.751 108.800 -0.120 0.000 4.125 810 G HA2 0.478 4.437 3.960 -0.001 0.000 0.301 810 G HA3 0.478 4.437 3.960 -0.001 0.000 0.301 810 G C -0.420 174.391 174.900 -0.148 0.000 1.273 810 G CA 0.393 45.462 45.100 -0.052 0.000 1.095 810 G HN 0.533 nan 8.290 nan 0.000 0.582 811 D N 0.439 120.710 120.400 -0.214 0.000 2.425 811 D HA 0.233 4.872 4.640 -0.001 0.000 0.247 811 D C 0.518 176.699 176.300 -0.198 0.000 1.147 811 D CA 0.105 53.964 54.000 -0.236 0.000 0.879 811 D CB 2.071 42.752 40.800 -0.198 0.000 1.179 811 D HN -0.044 nan 8.370 nan 0.000 0.456 812 V N 4.200 123.985 119.914 -0.215 0.000 2.479 812 V HA -0.005 4.115 4.120 -0.001 0.000 0.281 812 V C 1.232 177.255 176.094 -0.118 0.000 1.031 812 V CA 0.217 62.408 62.300 -0.182 0.000 1.038 812 V CB 0.654 32.307 31.823 -0.283 0.000 0.981 812 V HN 0.571 nan 8.190 nan 0.000 0.478 813 L N 5.070 126.214 121.223 -0.131 0.000 2.269 813 L HA 0.373 4.713 4.340 -0.001 0.000 0.200 813 L C 0.461 177.309 176.870 -0.037 0.000 1.069 813 L CA 0.800 55.571 54.840 -0.115 0.000 0.804 813 L CB 0.272 42.192 42.059 -0.231 0.000 0.987 813 L HN 0.459 nan 8.230 nan 0.000 0.468 814 I N 0.410 120.967 120.570 -0.020 0.000 2.466 814 I HA 0.278 4.448 4.170 -0.001 0.000 0.279 814 I C 0.327 176.482 176.117 0.064 0.000 1.033 814 I CA -0.506 60.810 61.300 0.027 0.000 1.123 814 I CB 1.341 39.357 38.000 0.027 0.000 1.237 814 I HN -0.062 nan 8.210 nan 0.000 0.460 815 G N 5.006 113.870 108.800 0.106 0.000 2.432 815 G HA2 0.344 4.304 3.960 -0.001 0.000 0.239 815 G HA3 0.344 4.304 3.960 -0.001 0.000 0.239 815 G C -0.543 174.413 174.900 0.092 0.000 1.291 815 G CA -0.043 45.148 45.100 0.152 0.000 0.863 815 G HN 0.597 nan 8.290 nan 0.000 0.560 816 K N 0.698 121.153 120.400 0.091 0.000 2.572 816 K HA 0.437 4.757 4.320 -0.001 0.000 0.263 816 K C -1.472 175.158 176.600 0.050 0.000 0.932 816 K CA -0.625 55.695 56.287 0.055 0.000 0.838 816 K CB 2.294 34.821 32.500 0.045 0.000 1.366 816 K HN 0.374 nan 8.250 nan 0.000 0.425 817 V N 1.371 121.303 119.914 0.029 0.000 2.864 817 V HA 0.626 4.745 4.120 -0.001 0.000 0.314 817 V C -0.553 175.548 176.094 0.012 0.000 1.073 817 V CA -0.759 61.555 62.300 0.023 0.000 0.956 817 V CB 2.021 33.850 31.823 0.011 0.000 1.023 817 V HN 0.816 nan 8.190 nan 0.000 0.435 818 S N 2.538 118.245 115.700 0.010 0.000 2.599 818 S HA 0.691 5.161 4.470 -0.001 0.000 0.287 818 S C -2.939 171.663 174.600 0.003 0.000 1.105 818 S CA -1.232 56.969 58.200 0.002 0.000 0.899 818 S CB 2.342 65.542 63.200 0.001 0.000 1.100 818 S HN 0.580 nan 8.310 nan 0.000 0.482 819 P HA 0.315 nan 4.420 nan 0.000 0.271 819 P C -2.337 174.967 177.300 0.006 0.000 1.216 819 P CA -0.995 62.107 63.100 0.004 0.000 0.776 819 P CB -0.228 31.476 31.700 0.006 0.000 0.881 835 K N -0.127 120.272 120.400 -0.001 0.000 10.544 835 K HA -0.025 4.294 4.320 -0.001 0.000 1.137 835 K C -0.188 176.418 176.600 0.009 0.000 2.183 835 K CA -0.150 56.138 56.287 0.002 0.000 0.920 835 K CB -0.172 32.327 32.500 -0.002 0.000 1.450 835 K HN 0.905 nan 8.250 nan 0.000 0.436 836 R N 0.598 121.106 120.500 0.013 0.000 2.879 836 R HA 0.240 4.580 4.340 -0.001 0.000 0.219 836 R C 0.626 176.946 176.300 0.033 0.000 1.167 836 R CA 0.097 56.209 56.100 0.020 0.000 1.062 836 R CB 0.142 30.452 30.300 0.017 0.000 1.093 836 R HN 0.764 nan 8.270 nan 0.000 0.510 837 D N -1.839 118.586 120.400 0.042 0.000 2.662 837 D HA -0.027 4.612 4.640 -0.001 0.000 0.132 837 D C -0.675 175.658 176.300 0.055 0.000 1.465 837 D CA 0.523 54.560 54.000 0.062 0.000 1.524 837 D CB 0.380 41.237 40.800 0.094 0.000 1.871 837 D HN 0.466 nan 8.370 nan 0.000 0.213 838 T N 0.969 115.553 114.554 0.049 0.000 3.549 838 T HA -0.158 4.192 4.350 -0.001 0.000 0.398 838 T C 0.408 175.137 174.700 0.048 0.000 0.766 838 T CA 1.033 63.157 62.100 0.040 0.000 2.007 838 T CB -1.730 67.155 68.868 0.027 0.000 1.727 838 T HN 0.242 nan 8.240 nan 0.000 0.693 839 S N -0.782 114.959 115.700 0.068 0.000 2.423 839 S HA 0.623 5.092 4.470 -0.001 0.000 0.244 839 S C 0.487 175.116 174.600 0.047 0.000 1.267 839 S CA -0.536 57.711 58.200 0.077 0.000 0.988 839 S CB 0.299 63.585 63.200 0.143 0.000 0.978 839 S HN 0.415 nan 8.310 nan 0.000 0.506 840 I N 0.822 121.411 120.570 0.032 0.000 2.433 840 I HA 0.541 4.711 4.170 -0.001 0.000 0.292 840 I C -0.950 175.120 176.117 -0.078 0.000 1.001 840 I CA -0.157 61.139 61.300 -0.008 0.000 1.119 840 I CB 1.409 39.404 38.000 -0.009 0.000 1.289 840 I HN 0.264 nan 8.210 nan 0.000 0.438 841 V N 4.595 124.452 119.914 -0.095 0.000 2.925 841 V HA 0.464 4.583 4.120 -0.001 0.000 0.311 841 V C -0.189 175.789 176.094 -0.194 0.000 1.104 841 V CA -0.829 61.395 62.300 -0.127 0.000 0.954 841 V CB 2.451 34.254 31.823 -0.034 0.000 1.022 841 V HN 0.766 nan 8.190 nan 0.000 0.427 842 T N 4.134 118.547 114.554 -0.236 0.000 2.932 842 T HA 0.189 4.539 4.350 -0.001 0.000 0.312 842 T C 0.425 175.166 174.700 0.069 0.000 1.071 842 T CA -0.424 61.569 62.100 -0.178 0.000 1.128 842 T CB 0.101 68.894 68.868 -0.125 0.000 0.984 842 T HN 0.450 nan 8.240 nan 0.000 0.549 843 R N 1.784 122.432 120.500 0.245 0.000 2.698 843 R HA -0.008 4.332 4.340 -0.001 0.000 0.266 843 R C 1.683 178.070 176.300 0.144 0.000 1.026 843 R CA -0.064 56.163 56.100 0.212 0.000 1.102 843 R CB -0.050 30.378 30.300 0.214 0.000 0.978 843 R HN 0.815 nan 8.270 nan 0.000 0.436 844 H N 1.654 120.757 119.070 0.055 0.000 2.319 844 H HA -0.112 4.444 4.556 -0.001 0.000 0.297 844 H C 0.924 176.269 175.328 0.028 0.000 1.097 844 H CA 2.038 58.107 56.048 0.035 0.000 1.285 844 H CB 0.331 30.112 29.762 0.033 0.000 1.368 844 H HN 0.696 nan 8.280 nan 0.000 0.495 845 G N 0.528 109.291 108.800 -0.062 0.000 3.702 845 G HA2 0.158 4.118 3.960 -0.001 0.000 0.288 845 G HA3 0.158 4.118 3.960 -0.001 0.000 0.288 845 G C -0.540 174.330 174.900 -0.049 0.000 1.193 845 G CA -0.337 44.691 45.100 -0.120 0.000 0.952 845 G HN 0.379 nan 8.290 nan 0.000 0.544 846 E N 0.224 120.413 120.200 -0.017 0.000 2.256 846 E HA 0.658 5.007 4.350 -0.001 0.000 0.267 846 E C -0.110 176.506 176.600 0.027 0.000 0.892 846 E CA -0.653 55.767 56.400 0.033 0.000 0.775 846 E CB 2.275 32.041 29.700 0.111 0.000 1.207 846 E HN 0.382 nan 8.360 nan 0.000 0.420 847 M N -0.562 119.061 119.600 0.038 0.000 3.053 847 M HA 0.884 5.364 4.480 -0.001 0.000 0.281 847 M C -0.170 176.161 176.300 0.053 0.000 1.304 847 M CA -0.598 54.718 55.300 0.028 0.000 0.767 847 M CB 2.130 34.728 32.600 -0.004 0.000 1.730 847 M HN 0.608 nan 8.290 nan 0.000 0.437 848 G N 0.302 109.123 108.800 0.035 0.000 2.354 848 G HA2 0.258 4.218 3.960 -0.001 0.000 0.582 848 G HA3 0.258 4.218 3.960 -0.001 0.000 0.582 848 G C -1.893 173.028 174.900 0.036 0.000 1.316 848 G CA -0.992 44.132 45.100 0.040 0.000 0.995 848 G HN 0.915 nan 8.290 nan 0.000 0.573 849 I N 0.087 120.678 120.570 0.036 0.000 2.498 849 I HA 0.464 4.633 4.170 -0.001 0.000 0.301 849 I C 0.891 177.040 176.117 0.053 0.000 0.984 849 I CA -1.216 60.105 61.300 0.036 0.000 1.204 849 I CB 1.841 39.860 38.000 0.033 0.000 1.362 849 I HN 0.374 nan 8.210 nan 0.000 0.471 850 V N 4.039 123.982 119.914 0.049 0.000 2.655 850 V HA -0.038 4.081 4.120 -0.001 0.000 0.300 850 V C 0.461 176.596 176.094 0.068 0.000 1.044 850 V CA 0.493 62.830 62.300 0.063 0.000 1.095 850 V CB 1.024 32.873 31.823 0.044 0.000 0.952 850 V HN 0.852 nan 8.190 nan 0.000 0.485 851 D N 2.395 122.848 120.400 0.089 0.000 2.482 851 D HA 0.212 4.851 4.640 -0.001 0.000 0.251 851 D C -0.328 176.009 176.300 0.062 0.000 1.073 851 D CA 0.177 54.233 54.000 0.095 0.000 0.892 851 D CB 0.607 41.509 40.800 0.171 0.000 1.202 851 D HN 0.346 nan 8.370 nan 0.000 0.496 852 L N 0.963 122.220 121.223 0.057 0.000 2.614 852 L HA 0.441 4.780 4.340 -0.001 0.000 0.264 852 L C -1.859 175.032 176.870 0.036 0.000 0.940 852 L CA -0.644 54.215 54.840 0.031 0.000 0.903 852 L CB 2.013 44.081 42.059 0.014 0.000 1.306 852 L HN -0.244 nan 8.230 nan 0.000 0.410 853 V N 5.712 125.641 119.914 0.026 0.000 2.409 853 V HA 0.592 4.711 4.120 -0.001 0.000 0.291 853 V C -0.447 175.660 176.094 0.020 0.000 1.020 853 V CA -0.507 61.810 62.300 0.029 0.000 0.848 853 V CB 1.693 33.532 31.823 0.027 0.000 0.990 853 V HN 0.695 nan 8.190 nan 0.000 0.430 854 L N 6.516 127.753 121.223 0.023 0.000 2.386 854 L HA 0.828 5.168 4.340 -0.001 0.000 0.271 854 L C -1.546 175.337 176.870 0.023 0.000 0.993 854 L CA -0.435 54.416 54.840 0.018 0.000 0.819 854 L CB 1.879 43.946 42.059 0.014 0.000 1.294 854 L HN 0.572 nan 8.230 nan 0.000 0.414 855 I N 4.195 124.777 120.570 0.020 0.000 2.569 855 I HA 0.732 4.902 4.170 -0.001 0.000 0.290 855 I C -0.116 176.014 176.117 0.021 0.000 1.088 855 I CA 0.156 61.469 61.300 0.022 0.000 1.047 855 I CB 2.243 40.255 38.000 0.021 0.000 1.237 855 I HN 0.743 nan 8.210 nan 0.000 0.421 856 T N 2.233 116.801 114.554 0.023 0.000 2.628 856 T HA 0.506 4.855 4.350 -0.001 0.000 0.274 856 T C -1.218 173.497 174.700 0.025 0.000 1.154 856 T CA -0.859 61.255 62.100 0.023 0.000 1.144 856 T CB 1.473 70.356 68.868 0.025 0.000 1.734 856 T HN 0.494 nan 8.240 nan 0.000 0.449 857 E N 1.108 121.325 120.200 0.028 0.000 2.352 857 E HA 0.469 4.819 4.350 -0.001 0.000 0.280 857 E C -1.044 175.577 176.600 0.035 0.000 0.930 857 E CA -0.588 55.830 56.400 0.029 0.000 0.765 857 E CB 2.290 32.007 29.700 0.028 0.000 1.219 857 E HN 0.776 nan 8.360 nan 0.000 0.434 858 T N -0.845 113.732 114.554 0.037 0.000 2.813 858 T HA 0.292 4.642 4.350 -0.001 0.000 0.297 858 T C 1.383 176.111 174.700 0.047 0.000 1.036 858 T CA 0.062 62.189 62.100 0.045 0.000 1.044 858 T CB 1.291 70.189 68.868 0.048 0.000 0.993 858 T HN 0.548 nan 8.240 nan 0.000 0.535 859 A N 0.590 123.442 122.820 0.053 0.000 1.997 859 A HA -0.187 4.132 4.320 -0.001 0.000 0.221 859 A C 2.239 179.853 177.584 0.050 0.000 1.172 859 A CA 2.005 54.072 52.037 0.051 0.000 0.645 859 A CB -0.966 18.067 19.000 0.055 0.000 0.813 859 A HN 0.969 nan 8.150 nan 0.000 0.454 860 E N -2.491 117.743 120.200 0.057 0.000 2.170 860 E HA 0.221 4.570 4.350 -0.001 0.000 0.191 860 E C 1.164 177.796 176.600 0.053 0.000 0.981 860 E CA 0.477 56.913 56.400 0.059 0.000 0.830 860 E CB -0.003 29.745 29.700 0.079 0.000 0.775 860 E HN 0.777 nan 8.360 nan 0.000 0.470 861 G N 1.320 110.148 108.800 0.047 0.000 2.161 861 G HA2 -0.121 3.839 3.960 -0.001 0.000 0.140 861 G HA3 -0.121 3.839 3.960 -0.001 0.000 0.140 861 G C -0.501 174.419 174.900 0.034 0.000 1.040 861 G CA -0.698 44.425 45.100 0.039 0.000 0.735 861 G HN -0.011 nan 8.290 nan 0.000 0.496 862 N N 0.967 119.686 118.700 0.032 0.000 2.479 862 N HA 0.315 5.054 4.740 -0.001 0.000 0.285 862 N C 0.036 175.558 175.510 0.019 0.000 1.075 862 N CA -0.361 52.701 53.050 0.020 0.000 0.967 862 N CB 1.742 40.234 38.487 0.009 0.000 1.137 862 N HN 0.366 nan 8.380 nan 0.000 0.472 863 K N 1.836 122.245 120.400 0.015 0.000 2.412 863 K HA 0.096 4.415 4.320 -0.001 0.000 0.284 863 K C -0.810 175.802 176.600 0.019 0.000 1.046 863 K CA -0.233 56.065 56.287 0.018 0.000 0.999 863 K CB 0.241 32.751 32.500 0.016 0.000 0.941 863 K HN 0.375 nan 8.250 nan 0.000 0.474 864 L N 5.810 127.047 121.223 0.023 0.000 2.305 864 L HA 0.355 4.694 4.340 -0.001 0.000 0.284 864 L C -1.402 175.485 176.870 0.029 0.000 1.013 864 L CA -0.546 54.310 54.840 0.027 0.000 0.819 864 L CB 1.762 43.839 42.059 0.030 0.000 1.227 864 L HN 0.358 nan 8.230 nan 0.000 0.417 865 V N 5.146 125.080 119.914 0.033 0.000 2.444 865 V HA 0.466 4.586 4.120 -0.001 0.000 0.294 865 V C -0.327 175.796 176.094 0.048 0.000 1.022 865 V CA -0.807 61.515 62.300 0.037 0.000 0.850 865 V CB 1.524 33.370 31.823 0.037 0.000 0.992 865 V HN 0.629 nan 8.190 nan 0.000 0.426 866 K N 3.716 124.144 120.400 0.048 0.000 2.265 866 K HA 0.724 5.043 4.320 -0.001 0.000 0.267 866 K C -1.242 175.400 176.600 0.071 0.000 0.994 866 K CA -0.591 55.731 56.287 0.060 0.000 0.860 866 K CB 2.313 34.838 32.500 0.041 0.000 1.099 866 K HN 0.441 nan 8.250 nan 0.000 0.448 867 V N 4.386 124.369 119.914 0.114 0.000 2.407 867 V HA 0.374 4.493 4.120 -0.001 0.000 0.291 867 V C -0.368 175.850 176.094 0.205 0.000 1.018 867 V CA -0.871 61.509 62.300 0.133 0.000 0.842 867 V CB 1.350 33.242 31.823 0.115 0.000 0.996 867 V HN 0.769 nan 8.190 nan 0.000 0.426 868 R N 3.994 124.581 120.500 0.145 0.000 2.589 868 R HA 0.881 5.220 4.340 -0.001 0.000 0.293 868 R C -1.767 174.633 176.300 0.168 0.000 0.963 868 R CA -0.676 55.507 56.100 0.138 0.000 0.905 868 R CB 2.063 32.403 30.300 0.067 0.000 1.144 868 R HN 0.345 nan 8.270 nan 0.000 0.459 869 V N 3.874 123.897 119.914 0.181 0.000 2.448 869 V HA 0.465 4.584 4.120 -0.001 0.000 0.295 869 V C 0.036 176.184 176.094 0.091 0.000 1.025 869 V CA -0.942 61.457 62.300 0.165 0.000 0.859 869 V CB 1.308 33.279 31.823 0.246 0.000 0.988 869 V HN 0.899 nan 8.190 nan 0.000 0.431 870 R N 1.835 122.371 120.500 0.060 0.000 2.573 870 R HA 0.806 5.146 4.340 -0.001 0.000 0.272 870 R C -1.382 174.883 176.300 -0.058 0.000 1.009 870 R CA -0.686 55.358 56.100 -0.093 0.000 1.059 870 R CB 1.769 32.014 30.300 -0.091 0.000 1.112 870 R HN 0.575 nan 8.270 nan 0.000 0.517 871 D N 1.495 121.832 120.400 -0.105 0.000 2.896 871 D HA 0.231 4.870 4.640 -0.001 0.000 0.241 871 D C -1.165 175.131 176.300 -0.005 0.000 1.188 871 D CA -0.664 53.334 54.000 -0.004 0.000 0.879 871 D CB 1.774 42.619 40.800 0.075 0.000 1.553 871 D HN 0.550 nan 8.370 nan 0.000 0.515 872 L N 3.675 124.912 121.223 0.025 0.000 2.367 872 L HA 0.429 4.769 4.340 -0.001 0.000 0.275 872 L C -0.189 176.693 176.870 0.021 0.000 1.129 872 L CA -0.224 54.644 54.840 0.047 0.000 0.839 872 L CB 0.160 42.253 42.059 0.057 0.000 1.133 872 L HN 0.293 nan 8.230 nan 0.000 0.453 873 R N 6.311 126.816 120.500 0.008 0.000 2.472 873 R HA 0.371 4.711 4.340 -0.001 0.000 0.294 873 R C -1.229 175.065 176.300 -0.011 0.000 1.243 873 R CA -0.691 55.411 56.100 0.004 0.000 1.023 873 R CB 0.996 31.312 30.300 0.026 0.000 1.157 873 R HN 0.458 nan 8.270 nan 0.000 0.530 874 I N 3.578 124.145 120.570 -0.005 0.000 2.396 874 I HA 0.297 4.466 4.170 -0.001 0.000 0.292 874 I C -1.774 174.364 176.117 0.035 0.000 0.999 874 I CA -2.321 58.981 61.300 0.003 0.000 1.310 874 I CB 0.578 38.575 38.000 -0.004 0.000 1.404 874 I HN 0.211 nan 8.210 nan 0.000 0.496 875 P HA 0.181 nan 4.420 nan 0.000 0.271 875 P C -0.797 176.531 177.300 0.047 0.000 1.226 875 P CA -0.063 63.110 63.100 0.122 0.000 0.765 875 P CB 0.823 32.662 31.700 0.231 0.000 0.835 876 S N 2.254 117.975 115.700 0.034 0.000 2.638 876 S HA 0.484 4.953 4.470 -0.001 0.000 0.274 876 S C -0.132 174.457 174.600 -0.019 0.000 1.157 876 S CA -1.045 57.148 58.200 -0.013 0.000 0.826 876 S CB 0.252 63.444 63.200 -0.013 0.000 1.139 876 S HN 0.137 nan 8.310 nan 0.000 0.474 877 I N 2.320 122.860 120.570 -0.050 0.000 3.247 877 I HA 0.247 4.417 4.170 -0.001 0.000 0.309 877 I C 1.533 177.642 176.117 -0.013 0.000 1.246 877 I CA 2.144 63.415 61.300 -0.050 0.000 1.384 877 I CB -1.055 36.908 38.000 -0.060 0.000 1.401 877 I HN 1.184 nan 8.210 nan 0.000 0.520 878 G N 3.346 112.148 108.800 0.003 0.000 2.617 878 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.197 878 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.197 878 G C 0.098 175.027 174.900 0.049 0.000 1.017 878 G CA -0.499 44.613 45.100 0.020 0.000 0.713 878 G HN 0.494 nan 8.290 nan 0.000 0.481 879 D N 1.189 121.641 120.400 0.087 0.000 2.400 879 D HA 0.423 5.062 4.640 -0.001 0.000 0.238 879 D C 0.340 176.783 176.300 0.238 0.000 1.157 879 D CA 0.462 54.549 54.000 0.145 0.000 0.889 879 D CB 1.314 42.243 40.800 0.215 0.000 1.199 879 D HN 0.413 nan 8.370 nan 0.000 0.436 880 K N 0.679 121.168 120.400 0.148 0.000 2.156 880 K HA 0.488 4.808 4.320 -0.001 0.000 0.254 880 K C -1.357 175.310 176.600 0.111 0.000 0.950 880 K CA -0.488 55.892 56.287 0.156 0.000 0.849 880 K CB 0.794 33.316 32.500 0.037 0.000 1.100 880 K HN 0.154 nan 8.250 nan 0.000 0.434 881 F N 0.843 120.776 119.950 -0.029 0.000 2.613 881 F HA 0.645 5.171 4.527 -0.001 0.000 0.310 881 F C -0.609 175.222 175.800 0.052 0.000 1.085 881 F CA -0.669 57.330 58.000 -0.002 0.000 0.945 881 F CB 2.412 41.404 39.000 -0.015 0.000 1.298 881 F HN 0.580 nan 8.300 nan 0.000 0.455 882 A N 1.009 123.924 122.820 0.158 0.000 2.486 882 A HA 0.717 5.036 4.320 -0.001 0.000 0.300 882 A C -0.580 176.783 177.584 -0.368 0.000 1.048 882 A CA -0.476 51.544 52.037 -0.028 0.000 0.696 882 A CB 1.464 20.447 19.000 -0.030 0.000 1.278 882 A HN 0.876 nan 8.150 nan 0.000 0.405 883 S N 0.883 116.257 115.700 -0.543 0.000 2.655 883 S HA 0.403 4.872 4.470 -0.001 0.000 0.265 883 S C 0.687 175.147 174.600 -0.234 0.000 1.240 883 S CA -0.165 57.650 58.200 -0.643 0.000 0.986 883 S CB 0.743 63.721 63.200 -0.369 0.000 0.985 883 S HN 0.722 nan 8.310 nan 0.000 0.562 884 R N -0.330 120.053 120.500 -0.194 0.000 2.325 884 R HA 0.152 4.492 4.340 -0.001 0.000 0.214 884 R C 0.370 176.371 176.300 -0.499 0.000 0.961 884 R CA 0.387 56.300 56.100 -0.310 0.000 1.086 884 R CB -0.298 29.806 30.300 -0.325 0.000 1.037 884 R HN 0.710 nan 8.270 nan 0.000 0.493 885 H N -1.792 117.236 119.070 -0.071 0.000 2.649 885 H HA 0.207 4.762 4.556 -0.001 0.000 0.258 885 H C 0.451 175.750 175.328 -0.048 0.000 1.165 885 H CA 0.214 56.222 56.048 -0.067 0.000 1.006 885 H CB 1.106 30.842 29.762 -0.042 0.000 1.743 885 H HN 0.283 nan 8.280 nan 0.000 0.609 886 G N 2.453 111.283 108.800 0.051 0.000 2.350 886 G HA2 -0.309 3.651 3.960 -0.001 0.000 0.298 886 G HA3 -0.309 3.651 3.960 -0.001 0.000 0.298 886 G C 0.029 175.011 174.900 0.137 0.000 1.037 886 G CA 0.278 45.450 45.100 0.121 0.000 1.074 886 G HN 0.449 nan 8.290 nan 0.000 0.511 887 Q N 0.274 120.117 119.800 0.072 0.000 2.626 887 Q HA 0.457 4.797 4.340 -0.001 0.000 0.239 887 Q C 0.742 176.775 176.000 0.056 0.000 1.101 887 Q CA -0.544 55.299 55.803 0.067 0.000 0.918 887 Q CB 0.266 29.046 28.738 0.069 0.000 1.151 887 Q HN 0.535 nan 8.270 nan 0.000 0.531 888 K N 0.828 121.246 120.400 0.030 0.000 2.380 888 K HA 0.530 4.849 4.320 -0.001 0.000 0.267 888 K C -0.034 176.599 176.600 0.054 0.000 0.990 888 K CA 0.448 56.748 56.287 0.021 0.000 0.946 888 K CB 0.702 33.174 32.500 -0.046 0.000 0.937 888 K HN 0.676 nan 8.250 nan 0.000 0.491 889 G N 0.229 109.078 108.800 0.082 0.000 2.733 889 G HA2 0.369 4.329 3.960 -0.001 0.000 0.297 889 G HA3 0.369 4.329 3.960 -0.001 0.000 0.297 889 G C -1.536 173.418 174.900 0.090 0.000 1.452 889 G CA -0.673 44.476 45.100 0.081 0.000 0.940 889 G HN 0.332 nan 8.290 nan 0.000 0.547 890 V N 2.799 122.741 119.914 0.047 0.000 2.481 890 V HA 0.369 4.488 4.120 -0.001 0.000 0.286 890 V C 0.732 176.828 176.094 0.003 0.000 1.042 890 V CA -0.655 61.674 62.300 0.049 0.000 0.928 890 V CB 1.613 33.448 31.823 0.021 0.000 0.986 890 V HN 0.650 nan 8.190 nan 0.000 0.462 891 I N 4.144 124.700 120.570 -0.023 0.000 2.581 891 I HA 0.072 4.241 4.170 -0.001 0.000 0.285 891 I C 1.504 177.573 176.117 -0.081 0.000 1.129 891 I CA 0.710 61.929 61.300 -0.135 0.000 1.397 891 I CB 0.661 38.526 38.000 -0.224 0.000 1.399 891 I HN 0.844 nan 8.210 nan 0.000 0.537 892 G N 6.359 115.113 108.800 -0.077 0.000 2.490 892 G HA2 0.120 4.079 3.960 -0.001 0.000 0.211 892 G HA3 0.120 4.079 3.960 -0.001 0.000 0.211 892 G C 0.207 175.007 174.900 -0.167 0.000 1.159 892 G CA 0.215 45.296 45.100 -0.031 0.000 0.819 892 G HN 0.460 nan 8.290 nan 0.000 0.539 893 M N -0.548 118.878 119.600 -0.290 0.000 2.520 893 M HA 0.699 5.179 4.480 -0.001 0.000 0.283 893 M C -2.266 173.856 176.300 -0.297 0.000 1.237 893 M CA -0.903 54.111 55.300 -0.477 0.000 0.885 893 M CB 2.275 34.192 32.600 -1.139 0.000 1.727 893 M HN -0.128 nan 8.290 nan 0.000 0.468 894 L N 4.494 125.568 121.223 -0.248 0.000 2.301 894 L HA 0.594 4.934 4.340 -0.001 0.000 0.278 894 L C -1.240 175.560 176.870 -0.115 0.000 1.022 894 L CA 0.235 54.981 54.840 -0.157 0.000 0.854 894 L CB 0.753 42.741 42.059 -0.119 0.000 1.226 894 L HN 0.636 nan 8.230 nan 0.000 0.429 895 I N 6.238 126.762 120.570 -0.076 0.000 2.339 895 I HA 0.363 4.532 4.170 -0.001 0.000 0.290 895 I C -2.015 174.099 176.117 -0.005 0.000 0.994 895 I CA -1.985 59.306 61.300 -0.015 0.000 1.191 895 I CB 1.906 39.943 38.000 0.061 0.000 1.343 895 I HN 0.365 nan 8.210 nan 0.000 0.458 896 P HA -0.020 nan 4.420 nan 0.000 0.271 896 P C 0.323 177.633 177.300 0.016 0.000 1.233 896 P CA -0.145 62.957 63.100 0.003 0.000 0.789 896 P CB 0.569 32.273 31.700 0.007 0.000 0.951 897 Q N 0.773 120.578 119.800 0.008 0.000 2.135 897 Q HA -0.152 4.187 4.340 -0.001 0.000 0.204 897 Q C 1.447 177.466 176.000 0.032 0.000 0.981 897 Q CA 1.725 57.536 55.803 0.015 0.000 0.856 897 Q CB -0.307 28.431 28.738 -0.001 0.000 0.902 897 Q HN 0.183 nan 8.270 nan 0.000 0.425 898 V N 1.071 121.002 119.914 0.028 0.000 2.358 898 V HA -0.210 3.909 4.120 -0.001 0.000 0.246 898 V C 1.310 177.459 176.094 0.093 0.000 1.047 898 V CA 1.990 64.313 62.300 0.039 0.000 1.035 898 V CB -0.467 31.371 31.823 0.024 0.000 0.658 898 V HN 0.324 nan 8.190 nan 0.000 0.452 899 D N -1.002 119.455 120.400 0.096 0.000 2.347 899 D HA 0.026 4.665 4.640 -0.001 0.000 0.215 899 D C 0.972 177.365 176.300 0.155 0.000 0.976 899 D CA 0.413 54.499 54.000 0.144 0.000 0.884 899 D CB -0.142 40.744 40.800 0.143 0.000 0.915 899 D HN 0.243 nan 8.370 nan 0.000 0.526 900 M N 1.515 121.168 119.600 0.087 0.000 2.238 900 M HA 0.128 4.607 4.480 -0.001 0.000 0.347 900 M C -2.147 174.142 176.300 -0.018 0.000 1.173 900 M CA -1.787 53.502 55.300 -0.019 0.000 1.147 900 M CB 0.408 33.013 32.600 0.008 0.000 1.547 900 M HN -0.234 nan 8.290 nan 0.000 0.455 901 P HA 0.019 nan 4.420 nan 0.000 0.262 901 P C -1.029 176.264 177.300 -0.012 0.000 1.455 901 P CA 0.129 63.115 63.100 -0.190 0.000 1.217 901 P CB -1.274 30.212 31.700 -0.356 0.000 1.625 902 Y N 0.985 121.303 120.300 0.031 0.000 2.357 902 Y HA 0.413 4.962 4.550 -0.001 0.000 0.340 902 Y C 0.505 176.373 175.900 -0.052 0.000 1.260 902 Y CA -0.754 57.349 58.100 0.005 0.000 1.425 902 Y CB -0.364 38.089 38.460 -0.010 0.000 1.326 902 Y HN 0.051 nan 8.280 nan 0.000 0.580 903 T N 1.196 115.762 114.554 0.020 0.000 2.881 903 T HA 0.209 4.559 4.350 -0.001 0.000 0.278 903 T C 1.444 176.193 174.700 0.081 0.000 0.982 903 T CA -0.501 61.513 62.100 -0.144 0.000 0.989 903 T CB 1.522 70.183 68.868 -0.344 0.000 1.058 903 T HN 0.627 nan 8.240 nan 0.000 0.529 904 V N 0.725 120.646 119.914 0.011 0.000 2.287 904 V HA -0.114 4.005 4.120 -0.001 0.000 0.248 904 V C 1.590 177.682 176.094 -0.003 0.000 1.053 904 V CA 1.479 63.780 62.300 0.002 0.000 1.027 904 V CB -0.776 31.040 31.823 -0.012 0.000 0.646 904 V HN 0.831 nan 8.190 nan 0.000 0.447 905 K N 1.012 121.411 120.400 -0.001 0.000 2.459 905 K HA 0.493 4.812 4.320 -0.001 0.000 0.218 905 K C 0.410 177.020 176.600 0.016 0.000 1.067 905 K CA 0.498 56.785 56.287 0.000 0.000 1.045 905 K CB 0.438 32.942 32.500 0.006 0.000 1.623 905 K HN 0.468 nan 8.250 nan 0.000 0.509 906 G N 0.749 109.549 108.800 0.001 0.000 2.569 906 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.259 906 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.259 906 G C -0.282 174.630 174.900 0.021 0.000 1.263 906 G CA -0.210 44.888 45.100 -0.002 0.000 0.928 906 G HN 1.043 nan 8.290 nan 0.000 0.572 907 V N -2.142 117.787 119.914 0.025 0.000 4.660 907 V HA -0.041 4.079 4.120 -0.001 0.000 0.398 907 V C 1.026 177.184 176.094 0.106 0.000 0.675 907 V CA 1.488 63.815 62.300 0.046 0.000 1.614 907 V CB -2.109 29.718 31.823 0.007 0.000 1.958 907 V HN 2.265 nan 8.190 nan 0.000 0.477 908 V N 3.234 123.226 119.914 0.130 0.000 2.997 908 V HA 0.903 5.022 4.120 -0.001 0.000 0.311 908 V C -1.527 174.690 176.094 0.205 0.000 1.066 908 V CA -1.922 60.489 62.300 0.185 0.000 1.039 908 V CB 1.577 33.463 31.823 0.105 0.000 1.081 908 V HN 0.573 nan 8.190 nan 0.000 0.467 909 P HA 0.415 nan 4.420 nan 0.000 0.281 909 P C -0.352 176.927 177.300 -0.036 0.000 1.249 909 P CA -0.334 62.770 63.100 0.005 0.000 0.810 909 P CB 1.076 32.653 31.700 -0.205 0.000 1.008 910 D N -0.211 120.157 120.400 -0.054 0.000 2.338 910 D HA 0.064 4.704 4.640 -0.001 0.000 0.224 910 D C 0.177 176.397 176.300 -0.133 0.000 0.967 910 D CA 1.083 55.049 54.000 -0.057 0.000 0.896 910 D CB 0.517 41.313 40.800 -0.005 0.000 1.028 910 D HN 0.102 nan 8.370 nan 0.000 0.493 911 V N 1.606 121.405 119.914 -0.192 0.000 2.680 911 V HA 0.372 4.491 4.120 -0.001 0.000 0.309 911 V C -0.585 175.355 176.094 -0.257 0.000 1.052 911 V CA -0.681 61.434 62.300 -0.308 0.000 0.908 911 V CB 2.378 33.873 31.823 -0.547 0.000 1.001 911 V HN -0.083 nan 8.190 nan 0.000 0.431 912 I N 4.766 125.204 120.570 -0.220 0.000 2.495 912 I HA 0.383 4.552 4.170 -0.001 0.000 0.277 912 I C -0.082 175.973 176.117 -0.104 0.000 1.045 912 I CA 0.223 61.428 61.300 -0.159 0.000 1.135 912 I CB 1.305 39.238 38.000 -0.112 0.000 1.241 912 I HN 0.444 nan 8.210 nan 0.000 0.469 913 L N 4.731 125.902 121.223 -0.087 0.000 2.479 913 L HA 0.356 4.695 4.340 -0.001 0.000 0.248 913 L C 0.522 177.385 176.870 -0.011 0.000 1.205 913 L CA -0.293 54.530 54.840 -0.029 0.000 0.817 913 L CB 0.665 42.729 42.059 0.009 0.000 1.162 913 L HN 0.612 nan 8.230 nan 0.000 0.486 914 N N 0.941 119.649 118.700 0.013 0.000 2.392 914 N HA 0.243 4.982 4.740 -0.001 0.000 0.283 914 N C -2.024 173.484 175.510 -0.004 0.000 1.003 914 N CA -1.672 51.400 53.050 0.037 0.000 0.892 914 N CB 2.092 40.635 38.487 0.093 0.000 1.193 914 N HN 0.272 nan 8.380 nan 0.000 0.487 915 P HA -0.152 nan 4.420 nan 0.000 0.221 915 P C 0.281 177.438 177.300 -0.239 0.000 1.141 915 P CA 1.471 64.460 63.100 -0.186 0.000 0.794 915 P CB 0.193 31.745 31.700 -0.247 0.000 0.764 916 H N -0.417 118.633 119.070 -0.032 0.000 2.482 916 H HA 0.265 4.821 4.556 -0.001 0.000 0.286 916 H C 1.497 176.808 175.328 -0.028 0.000 1.017 916 H CA 0.775 56.806 56.048 -0.028 0.000 1.322 916 H CB -0.310 29.439 29.762 -0.022 0.000 1.426 916 H HN 0.060 nan 8.280 nan 0.000 0.546 917 A N 0.524 123.389 122.820 0.076 0.000 2.916 917 A HA 0.235 4.554 4.320 -0.001 0.000 0.254 917 A C 0.854 178.436 177.584 -0.002 0.000 1.544 917 A CA 0.333 52.393 52.037 0.038 0.000 1.224 917 A CB -0.663 18.360 19.000 0.039 0.000 1.012 917 A HN 0.421 nan 8.150 nan 0.000 0.636 918 L N -1.052 120.156 121.223 -0.025 0.000 2.603 918 L HA 0.156 4.496 4.340 -0.001 0.000 0.189 918 L C -0.910 175.927 176.870 -0.055 0.000 1.082 918 L CA 0.028 54.832 54.840 -0.060 0.000 0.921 918 L CB 0.133 42.124 42.059 -0.113 0.000 1.694 918 L HN 0.148 nan 8.230 nan 0.000 0.491 919 P HA -0.038 nan 4.420 nan 0.000 0.229 919 P C 1.280 178.566 177.300 -0.024 0.000 1.160 919 P CA 1.238 64.309 63.100 -0.048 0.000 0.777 919 P CB 0.156 31.825 31.700 -0.051 0.000 0.814 920 S N -0.239 115.455 115.700 -0.010 0.000 2.425 920 S HA 0.021 4.490 4.470 -0.001 0.000 0.225 920 S C 1.986 176.589 174.600 0.005 0.000 1.024 920 S CA 0.116 58.318 58.200 0.002 0.000 0.951 920 S CB -0.549 62.659 63.200 0.013 0.000 0.796 920 S HN 0.008 nan 8.310 nan 0.000 0.498 921 R N 1.110 121.612 120.500 0.003 0.000 2.100 921 R HA 0.294 4.634 4.340 -0.001 0.000 0.220 921 R C 0.619 176.916 176.300 -0.005 0.000 1.091 921 R CA 0.574 56.680 56.100 0.012 0.000 0.986 921 R CB -1.014 29.297 30.300 0.018 0.000 0.888 921 R HN 0.512 nan 8.270 nan 0.000 0.444 922 M N 1.465 121.052 119.600 -0.023 0.000 2.347 922 M HA -0.124 4.355 4.480 -0.001 0.000 0.198 922 M C -0.658 175.619 176.300 -0.039 0.000 0.549 922 M CA 0.982 56.263 55.300 -0.033 0.000 0.481 922 M CB -1.794 30.794 32.600 -0.019 0.000 1.393 922 M HN 0.150 nan 8.290 nan 0.000 0.905 923 T N -2.153 112.367 114.554 -0.056 0.000 3.598 923 T HA 0.427 4.777 4.350 -0.001 0.000 0.343 923 T C 1.171 175.791 174.700 -0.133 0.000 1.697 923 T CA -0.970 61.084 62.100 -0.076 0.000 1.247 923 T CB 0.493 69.320 68.868 -0.067 0.000 1.210 923 T HN 0.423 nan 8.240 nan 0.000 0.820 924 L N 1.559 122.722 121.223 -0.100 0.000 2.191 924 L HA 0.019 4.359 4.340 -0.001 0.000 0.212 924 L C 2.657 179.412 176.870 -0.192 0.000 1.103 924 L CA 1.907 56.659 54.840 -0.145 0.000 0.769 924 L CB -1.336 40.649 42.059 -0.122 0.000 0.908 924 L HN 0.747 nan 8.230 nan 0.000 0.438 925 G N -0.624 108.107 108.800 -0.116 0.000 2.450 925 G HA2 -0.353 3.607 3.960 -0.001 0.000 0.220 925 G HA3 -0.353 3.607 3.960 -0.001 0.000 0.220 925 G C 1.508 176.106 174.900 -0.503 0.000 1.130 925 G CA 0.870 45.921 45.100 -0.082 0.000 0.760 925 G HN 0.369 nan 8.290 nan 0.000 0.557 926 Q N 0.237 119.533 119.800 -0.841 0.000 2.020 926 Q HA -0.081 4.259 4.340 -0.001 0.000 0.202 926 Q C 2.461 178.315 176.000 -0.242 0.000 0.982 926 Q CA 1.244 56.618 55.803 -0.715 0.000 0.838 926 Q CB -0.327 28.161 28.738 -0.416 0.000 0.899 926 Q HN 0.356 nan 8.270 nan 0.000 0.423 927 I N 0.182 120.614 120.570 -0.231 0.000 2.179 927 I HA -0.275 3.894 4.170 -0.001 0.000 0.242 927 I C 2.336 178.428 176.117 -0.042 0.000 1.088 927 I CA 1.602 62.811 61.300 -0.153 0.000 1.357 927 I CB -1.036 36.826 38.000 -0.231 0.000 1.051 927 I HN 0.436 nan 8.210 nan 0.000 0.409 928 M N -0.281 119.203 119.600 -0.194 0.000 2.149 928 M HA -0.227 4.252 4.480 -0.001 0.000 0.261 928 M C 2.160 178.356 176.300 -0.174 0.000 1.064 928 M CA 1.568 56.665 55.300 -0.337 0.000 1.102 928 M CB -0.509 31.664 32.600 -0.712 0.000 1.369 928 M HN 0.235 nan 8.290 nan 0.000 0.408 929 E N 0.306 120.536 120.200 0.051 0.000 2.106 929 E HA -0.140 4.209 4.350 -0.001 0.000 0.192 929 E C 2.082 178.821 176.600 0.232 0.000 0.984 929 E CA 1.290 57.868 56.400 0.296 0.000 0.806 929 E CB -0.075 29.879 29.700 0.423 0.000 0.750 929 E HN 0.562 nan 8.360 nan 0.000 0.458 930 G N 1.115 110.043 108.800 0.213 0.000 2.408 930 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.217 930 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.217 930 G C 1.575 176.537 174.900 0.103 0.000 1.150 930 G CA 0.622 45.859 45.100 0.229 0.000 0.776 930 G HN 0.216 nan 8.290 nan 0.000 0.542 931 I N 1.156 121.781 120.570 0.092 0.000 2.439 931 I HA -0.019 4.150 4.170 -0.001 0.000 0.251 931 I C 3.174 179.332 176.117 0.068 0.000 1.139 931 I CA 0.783 62.097 61.300 0.023 0.000 1.438 931 I CB -0.129 37.874 38.000 0.006 0.000 1.085 931 I HN 0.204 nan 8.210 nan 0.000 0.427 932 A N 1.127 124.016 122.820 0.115 0.000 1.898 932 A HA -0.052 4.268 4.320 -0.001 0.000 0.216 932 A C 2.441 180.145 177.584 0.201 0.000 1.181 932 A CA 1.698 53.851 52.037 0.194 0.000 0.620 932 A CB -1.372 17.814 19.000 0.310 0.000 0.819 932 A HN 0.430 nan 8.150 nan 0.000 0.442 933 G N -0.273 108.624 108.800 0.162 0.000 2.443 933 G HA2 -0.209 3.750 3.960 -0.001 0.000 0.219 933 G HA3 -0.209 3.750 3.960 -0.001 0.000 0.219 933 G C 1.563 176.489 174.900 0.044 0.000 1.131 933 G CA 1.400 46.569 45.100 0.116 0.000 0.775 933 G HN 0.548 nan 8.290 nan 0.000 0.547 934 K N 0.312 120.729 120.400 0.027 0.000 2.002 934 K HA -0.158 4.162 4.320 -0.001 0.000 0.209 934 K C 2.096 178.661 176.600 -0.059 0.000 1.048 934 K CA 1.370 57.626 56.287 -0.052 0.000 0.930 934 K CB -0.792 31.669 32.500 -0.065 0.000 0.714 934 K HN 0.320 nan 8.250 nan 0.000 0.438 935 Y N 0.357 120.606 120.300 -0.084 0.000 2.181 935 Y HA -0.128 4.421 4.550 -0.001 0.000 0.288 935 Y C 1.893 177.710 175.900 -0.138 0.000 1.146 935 Y CA 1.909 59.946 58.100 -0.105 0.000 1.164 935 Y CB -0.633 37.811 38.460 -0.027 0.000 0.982 935 Y HN 0.145 nan 8.280 nan 0.000 0.515 936 A N 0.566 123.346 122.820 -0.067 0.000 1.933 936 A HA -0.103 4.217 4.320 -0.001 0.000 0.218 936 A C 2.370 179.816 177.584 -0.230 0.000 1.175 936 A CA 1.831 53.786 52.037 -0.137 0.000 0.628 936 A CB -1.413 17.608 19.000 0.035 0.000 0.814 936 A HN 0.630 nan 8.150 nan 0.000 0.444 937 A N -0.697 122.008 122.820 -0.192 0.000 2.016 937 A HA 0.177 4.497 4.320 -0.001 0.000 0.217 937 A C 2.103 179.521 177.584 -0.275 0.000 1.162 937 A CA 1.169 53.097 52.037 -0.182 0.000 0.662 937 A CB -0.365 18.555 19.000 -0.134 0.000 0.812 937 A HN 0.458 nan 8.150 nan 0.000 0.450 938 L N -0.232 120.738 121.223 -0.422 0.000 2.084 938 L HA -0.072 4.268 4.340 -0.001 0.000 0.202 938 L C 2.948 179.351 176.870 -0.777 0.000 1.074 938 L CA 1.486 56.001 54.840 -0.543 0.000 0.757 938 L CB -0.467 41.230 42.059 -0.604 0.000 0.918 938 L HN 0.527 nan 8.230 nan 0.000 0.444 939 S N -0.932 114.127 115.700 -1.068 0.000 2.425 939 S HA 0.116 4.585 4.470 -0.001 0.000 0.225 939 S C 1.670 176.039 174.600 -0.386 0.000 1.024 939 S CA 0.689 58.355 58.200 -0.890 0.000 0.951 939 S CB 0.490 63.075 63.200 -1.026 0.000 0.796 939 S HN 0.547 nan 8.310 nan 0.000 0.498 940 G N 1.487 110.069 108.800 -0.363 0.000 2.254 940 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.225 940 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.225 940 G C -0.219 174.609 174.900 -0.121 0.000 1.003 940 G CA -0.141 44.851 45.100 -0.180 0.000 0.622 940 G HN 0.647 nan 8.290 nan 0.000 0.507 941 N N 1.264 119.883 118.700 -0.135 0.000 2.470 941 N HA 0.519 5.258 4.740 -0.001 0.000 0.268 941 N C 1.808 177.341 175.510 0.038 0.000 1.136 941 N CA 0.105 53.152 53.050 -0.004 0.000 0.961 941 N CB 1.130 39.674 38.487 0.095 0.000 1.067 941 N HN 0.487 nan 8.380 nan 0.000 0.468 942 I N 0.022 120.623 120.570 0.052 0.000 2.286 942 I HA 0.029 4.199 4.170 -0.001 0.000 0.245 942 I C 0.114 176.298 176.117 0.111 0.000 1.104 942 I CA 0.011 61.348 61.300 0.061 0.000 1.397 942 I CB -0.099 37.918 38.000 0.029 0.000 1.072 942 I HN 0.256 nan 8.210 nan 0.000 0.417 943 V N 3.216 123.197 119.914 0.112 0.000 3.511 943 V HA -0.185 3.934 4.120 -0.001 0.000 0.502 943 V C -0.603 175.513 176.094 0.036 0.000 0.682 943 V CA 0.769 63.133 62.300 0.106 0.000 2.051 943 V CB -0.871 31.056 31.823 0.174 0.000 2.482 943 V HN 0.907 nan 8.190 nan 0.000 0.508 944 D N 4.388 124.787 120.400 -0.001 0.000 2.283 944 D HA 0.643 5.283 4.640 -0.001 0.000 0.248 944 D C 0.349 176.561 176.300 -0.146 0.000 1.072 944 D CA -0.125 53.834 54.000 -0.069 0.000 0.929 944 D CB 2.152 42.913 40.800 -0.066 0.000 1.182 944 D HN 1.032 nan 8.370 nan 0.000 0.433 945 A N 1.766 124.404 122.820 -0.303 0.000 2.676 945 A HA 0.249 4.569 4.320 -0.001 0.000 0.297 945 A C 0.319 177.663 177.584 -0.399 0.000 1.132 945 A CA -0.646 50.986 52.037 -0.675 0.000 0.972 945 A CB -0.373 17.815 19.000 -1.353 0.000 1.197 945 A HN 0.510 nan 8.150 nan 0.000 0.524 946 T N 4.328 118.777 114.554 -0.175 0.000 2.831 946 T HA 0.216 4.566 4.350 -0.001 0.000 0.291 946 T C -2.406 172.232 174.700 -0.103 0.000 0.981 946 T CA -0.172 61.882 62.100 -0.077 0.000 1.174 946 T CB 0.083 68.985 68.868 0.058 0.000 0.929 946 T HN 0.338 nan 8.240 nan 0.000 0.532 947 P HA -0.006 nan 4.420 nan 0.000 0.263 947 P C -0.296 176.862 177.300 -0.237 0.000 1.168 947 P CA 0.183 63.059 63.100 -0.373 0.000 0.759 947 P CB -0.316 31.133 31.700 -0.417 0.000 0.782 948 F N 0.843 120.738 119.950 -0.092 0.000 2.152 948 F HA -0.213 4.314 4.527 -0.001 0.000 0.503 948 F C 1.118 176.969 175.800 0.085 0.000 1.268 948 F CA 0.544 58.517 58.000 -0.045 0.000 1.619 948 F CB -2.544 36.381 39.000 -0.124 0.000 2.580 948 F HN 0.546 nan 8.300 nan 0.000 0.727 949 Y N 1.500 121.868 120.300 0.112 0.000 2.801 949 Y HA -0.524 4.025 4.550 -0.001 0.000 0.472 949 Y C 1.652 177.599 175.900 0.077 0.000 1.151 949 Y CA 3.773 61.924 58.100 0.086 0.000 2.731 949 Y CB -1.203 37.306 38.460 0.082 0.000 1.146 949 Y HN 1.022 nan 8.280 nan 0.000 0.611 950 K N 0.617 121.204 120.400 0.311 0.000 2.985 950 K HA -0.232 4.088 4.320 -0.001 0.000 0.277 950 K C 0.035 176.701 176.600 0.109 0.000 1.075 950 K CA 1.876 58.268 56.287 0.175 0.000 0.822 950 K CB -2.715 29.825 32.500 0.066 0.000 1.211 950 K HN 1.188 nan 8.250 nan 0.000 0.458 951 T N -0.587 113.943 114.554 -0.040 0.000 0.758 951 T HA -0.054 4.295 4.350 -0.001 0.000 0.752 951 T C -2.427 172.218 174.700 -0.092 0.000 0.988 951 T CA -0.002 62.032 62.100 -0.110 0.000 3.970 951 T CB -0.151 68.729 68.868 0.020 0.000 2.245 951 T HN 0.280 nan 8.240 nan 0.000 0.393 952 P HA 0.053 nan 4.420 nan 0.000 0.263 952 P C 1.664 178.918 177.300 -0.076 0.000 1.175 952 P CA -0.426 62.612 63.100 -0.103 0.000 0.761 952 P CB 0.291 31.921 31.700 -0.116 0.000 0.794 953 I N 3.014 123.533 120.570 -0.085 0.000 2.286 953 I HA -0.213 3.956 4.170 -0.001 0.000 0.248 953 I C 1.451 177.507 176.117 -0.102 0.000 1.115 953 I CA 1.866 63.096 61.300 -0.117 0.000 1.392 953 I CB -1.696 36.181 38.000 -0.205 0.000 1.065 953 I HN 0.451 nan 8.210 nan 0.000 0.418 954 E N 1.473 121.622 120.200 -0.085 0.000 2.338 954 E HA -0.253 4.096 4.350 -0.001 0.000 0.197 954 E C 2.086 178.652 176.600 -0.056 0.000 1.007 954 E CA 0.679 57.042 56.400 -0.062 0.000 0.849 954 E CB -0.439 29.232 29.700 -0.049 0.000 0.774 954 E HN 0.670 nan 8.360 nan 0.000 0.506 955 Q N 0.863 120.621 119.800 -0.070 0.000 2.167 955 Q HA -0.089 4.251 4.340 -0.001 0.000 0.202 955 Q C 2.154 178.089 176.000 -0.108 0.000 0.970 955 Q CA 0.898 56.660 55.803 -0.068 0.000 0.855 955 Q CB 0.073 28.772 28.738 -0.066 0.000 0.911 955 Q HN 0.406 nan 8.270 nan 0.000 0.438 956 L N -0.277 120.843 121.223 -0.172 0.000 2.162 956 L HA -0.098 4.242 4.340 -0.001 0.000 0.205 956 L C 2.288 179.104 176.870 -0.089 0.000 1.086 956 L CA 0.738 55.402 54.840 -0.292 0.000 0.778 956 L CB -0.223 41.599 42.059 -0.395 0.000 0.928 956 L HN 0.199 nan 8.230 nan 0.000 0.446 957 Q N -0.006 119.765 119.800 -0.048 0.000 2.364 957 Q HA -0.113 4.226 4.340 -0.001 0.000 0.207 957 Q C 1.608 177.630 176.000 0.036 0.000 0.970 957 Q CA 0.789 56.595 55.803 0.005 0.000 0.888 957 Q CB 0.095 28.824 28.738 -0.015 0.000 0.951 957 Q HN 0.507 nan 8.270 nan 0.000 0.469 958 N N 0.062 118.778 118.700 0.027 0.000 2.368 958 N HA -0.075 4.665 4.740 -0.001 0.000 0.176 958 N C 1.280 176.843 175.510 0.090 0.000 1.021 958 N CA 0.662 53.739 53.050 0.045 0.000 0.888 958 N CB 0.164 38.665 38.487 0.024 0.000 0.995 958 N HN 0.191 nan 8.380 nan 0.000 0.437 959 E N 1.185 121.458 120.200 0.121 0.000 2.208 959 E HA -0.022 4.328 4.350 -0.001 0.000 0.193 959 E C 2.028 178.880 176.600 0.419 0.000 0.988 959 E CA 0.360 56.911 56.400 0.252 0.000 0.828 959 E CB 0.045 29.929 29.700 0.306 0.000 0.763 959 E HN 0.546 nan 8.360 nan 0.000 0.478 960 I N -1.071 119.703 120.570 0.341 0.000 2.546 960 I HA -0.129 4.040 4.170 -0.001 0.000 0.255 960 I C 2.547 178.839 176.117 0.291 0.000 1.163 960 I CA 0.655 62.163 61.300 0.348 0.000 1.457 960 I CB -0.432 37.703 38.000 0.225 0.000 1.092 960 I HN -0.031 nan 8.210 nan 0.000 0.434 961 L N 1.526 122.865 121.223 0.193 0.000 2.056 961 L HA -0.135 4.205 4.340 -0.001 0.000 0.207 961 L C 2.661 179.596 176.870 0.109 0.000 1.078 961 L CA 1.549 56.468 54.840 0.131 0.000 0.749 961 L CB -0.277 41.828 42.059 0.078 0.000 0.901 961 L HN 0.103 nan 8.230 nan 0.000 0.433 962 K N -0.982 119.473 120.400 0.092 0.000 2.147 962 K HA -0.179 4.141 4.320 -0.001 0.000 0.205 962 K C 1.573 178.137 176.600 -0.060 0.000 1.049 962 K CA 1.414 57.688 56.287 -0.022 0.000 0.936 962 K CB -0.215 32.224 32.500 -0.101 0.000 0.722 962 K HN 0.340 nan 8.250 nan 0.000 0.446 963 Y N 0.120 120.485 120.300 0.109 0.000 2.529 963 Y HA 0.059 4.608 4.550 -0.001 0.000 0.290 963 Y C 1.348 177.339 175.900 0.152 0.000 1.177 963 Y CA 0.644 58.820 58.100 0.126 0.000 1.305 963 Y CB 0.529 39.074 38.460 0.140 0.000 1.047 963 Y HN 0.274 nan 8.280 nan 0.000 0.522 964 G N -1.268 107.642 108.800 0.182 0.000 2.131 964 G HA2 -0.278 3.682 3.960 -0.001 0.000 0.223 964 G HA3 -0.278 3.682 3.960 -0.001 0.000 0.223 964 G C -0.456 174.317 174.900 -0.212 0.000 0.990 964 G CA -0.382 44.707 45.100 -0.017 0.000 0.671 964 G HN 0.314 nan 8.290 nan 0.000 0.521 965 Y N -1.012 119.330 120.300 0.069 0.000 2.570 965 Y HA 0.683 5.232 4.550 -0.001 0.000 0.345 965 Y C 0.908 176.830 175.900 0.038 0.000 1.014 965 Y CA -1.186 56.938 58.100 0.039 0.000 1.063 965 Y CB 1.232 39.712 38.460 0.032 0.000 1.272 965 Y HN 0.100 nan 8.280 nan 0.000 0.477 966 L N 4.742 126.067 121.223 0.171 0.000 2.490 966 L HA 0.073 4.412 4.340 -0.001 0.000 0.274 966 L C -1.295 175.634 176.870 0.098 0.000 1.201 966 L CA -1.060 53.839 54.840 0.099 0.000 0.869 966 L CB 0.536 42.636 42.059 0.069 0.000 1.123 966 L HN 0.527 nan 8.230 nan 0.000 0.484 967 P HA -0.140 nan 4.420 nan 0.000 0.226 967 P C 0.653 177.978 177.300 0.042 0.000 1.153 967 P CA 0.772 63.909 63.100 0.062 0.000 0.777 967 P CB 0.289 32.017 31.700 0.047 0.000 0.794 968 D N 0.170 120.595 120.400 0.043 0.000 2.317 968 D HA 0.029 4.668 4.640 -0.001 0.000 0.211 968 D C 1.032 177.352 176.300 0.034 0.000 0.966 968 D CA 0.949 54.975 54.000 0.043 0.000 0.876 968 D CB -0.444 40.385 40.800 0.048 0.000 0.927 968 D HN 0.052 nan 8.370 nan 0.000 0.519 969 A N -0.479 122.344 122.820 0.005 0.000 2.905 969 A HA -0.148 4.172 4.320 -0.001 0.000 0.260 969 A C 0.632 178.145 177.584 -0.118 0.000 1.398 969 A CA 1.344 53.325 52.037 -0.092 0.000 0.840 969 A CB -2.802 16.072 19.000 -0.210 0.000 1.059 969 A HN 0.473 nan 8.150 nan 0.000 0.647 970 T N -1.321 113.241 114.554 0.013 0.000 3.327 970 T HA 0.562 4.911 4.350 -0.001 0.000 0.373 970 T C -0.352 174.394 174.700 0.075 0.000 1.589 970 T CA -0.021 62.123 62.100 0.073 0.000 1.497 970 T CB 0.326 69.256 68.868 0.104 0.000 1.032 970 T HN 0.486 nan 8.240 nan 0.000 0.640 971 E N 1.116 121.355 120.200 0.064 0.000 2.415 971 E HA 0.239 4.588 4.350 -0.001 0.000 0.262 971 E C 0.298 176.885 176.600 -0.021 0.000 1.038 971 E CA -0.554 55.846 56.400 0.000 0.000 0.921 971 E CB 1.124 30.770 29.700 -0.090 0.000 0.950 971 E HN 0.475 nan 8.360 nan 0.000 0.438 972 V N 3.376 123.279 119.914 -0.019 0.000 2.637 972 V HA 0.175 4.295 4.120 -0.001 0.000 0.296 972 V C -0.241 175.835 176.094 -0.031 0.000 1.046 972 V CA 0.299 62.588 62.300 -0.018 0.000 1.066 972 V CB 0.765 32.587 31.823 -0.002 0.000 0.968 972 V HN 0.836 nan 8.190 nan 0.000 0.483 973 T N 4.148 118.664 114.554 -0.064 0.000 2.916 973 T HA 0.630 4.979 4.350 -0.001 0.000 0.292 973 T C -1.239 173.352 174.700 -0.181 0.000 1.055 973 T CA -0.535 61.513 62.100 -0.088 0.000 1.009 973 T CB 1.543 70.366 68.868 -0.076 0.000 1.118 973 T HN 0.476 nan 8.240 nan 0.000 0.497 974 Y N 0.517 120.488 120.300 -0.549 0.000 2.328 974 Y HA 0.359 4.909 4.550 -0.001 0.000 0.333 974 Y C 0.297 175.848 175.900 -0.582 0.000 0.958 974 Y CA -1.280 56.464 58.100 -0.593 0.000 1.167 974 Y CB 1.196 39.170 38.460 -0.809 0.000 1.151 974 Y HN 0.710 nan 8.280 nan 0.000 0.470 975 D N 2.748 123.077 120.400 -0.118 0.000 2.455 975 D HA -0.032 4.608 4.640 -0.001 0.000 0.265 975 D C 1.355 177.732 176.300 0.129 0.000 1.284 975 D CA 0.722 54.741 54.000 0.032 0.000 0.944 975 D CB 0.953 41.830 40.800 0.129 0.000 1.121 975 D HN 0.951 nan 8.370 nan 0.000 0.525 976 G N 4.438 113.358 108.800 0.200 0.000 2.535 976 G HA2 -0.251 3.708 3.960 -0.001 0.000 0.218 976 G HA3 -0.251 3.708 3.960 -0.001 0.000 0.218 976 G C 1.481 176.540 174.900 0.265 0.000 1.122 976 G CA 0.376 45.725 45.100 0.414 0.000 0.769 976 G HN 0.573 nan 8.290 nan 0.000 0.549 977 R N -0.668 119.961 120.500 0.216 0.000 2.173 977 R HA 0.084 4.424 4.340 -0.001 0.000 0.208 977 R C 1.953 178.334 176.300 0.135 0.000 1.035 977 R CA 1.507 57.705 56.100 0.164 0.000 1.004 977 R CB -0.672 29.726 30.300 0.165 0.000 0.917 977 R HN 0.218 nan 8.270 nan 0.000 0.462 978 T N -1.505 113.136 114.554 0.146 0.000 3.018 978 T HA 0.263 4.613 4.350 -0.001 0.000 0.246 978 T C 1.288 176.069 174.700 0.135 0.000 1.026 978 T CA 1.229 63.398 62.100 0.115 0.000 1.081 978 T CB 0.133 69.056 68.868 0.092 0.000 0.970 978 T HN 0.525 nan 8.240 nan 0.000 0.475 979 G N 1.471 110.388 108.800 0.195 0.000 2.284 979 G HA2 -0.228 3.731 3.960 -0.001 0.000 0.230 979 G HA3 -0.228 3.731 3.960 -0.001 0.000 0.230 979 G C 0.138 175.209 174.900 0.286 0.000 1.021 979 G CA 0.287 45.539 45.100 0.252 0.000 0.619 979 G HN 0.902 nan 8.290 nan 0.000 0.510 980 Q N 1.445 121.346 119.800 0.168 0.000 2.340 980 Q HA 0.499 4.838 4.340 -0.001 0.000 0.249 980 Q C 0.370 176.346 176.000 -0.040 0.000 0.957 980 Q CA 0.078 55.938 55.803 0.095 0.000 0.882 980 Q CB 0.777 29.535 28.738 0.033 0.000 1.235 980 Q HN 0.655 nan 8.270 nan 0.000 0.439 981 K N 1.604 121.783 120.400 -0.368 0.000 2.154 981 K HA 0.325 4.644 4.320 -0.001 0.000 0.264 981 K C 0.159 176.516 176.600 -0.406 0.000 1.008 981 K CA -0.765 54.988 56.287 -0.891 0.000 0.937 981 K CB 0.564 31.955 32.500 -1.849 0.000 1.002 981 K HN 0.628 nan 8.250 nan 0.000 0.469 982 I N -0.861 119.515 120.570 -0.323 0.000 3.080 982 I HA 0.124 4.294 4.170 -0.001 0.000 0.213 982 I C 1.009 177.031 176.117 -0.157 0.000 1.298 982 I CA -0.084 61.122 61.300 -0.158 0.000 0.726 982 I CB 0.215 38.167 38.000 -0.080 0.000 1.751 982 I HN 0.856 nan 8.210 nan 0.000 0.957 983 K N -1.203 119.145 120.400 -0.087 0.000 2.474 983 K HA 0.225 4.544 4.320 -0.001 0.000 0.204 983 K C 1.765 178.337 176.600 -0.047 0.000 1.220 983 K CA 0.447 56.693 56.287 -0.069 0.000 0.966 983 K CB 0.477 32.951 32.500 -0.044 0.000 1.049 983 K HN 0.694 nan 8.250 nan 0.000 0.554 984 S N -0.095 115.587 115.700 -0.031 0.000 2.502 984 S HA 0.242 4.711 4.470 -0.001 0.000 0.228 984 S C -0.640 173.962 174.600 0.003 0.000 1.061 984 S CA 0.072 58.267 58.200 -0.009 0.000 0.935 984 S CB 0.046 63.249 63.200 0.005 0.000 0.809 984 S HN 0.284 nan 8.310 nan 0.000 0.510 985 R N 0.257 120.761 120.500 0.007 0.000 0.973 985 R HA -0.049 4.290 4.340 -0.001 0.000 0.431 985 R C -1.944 174.404 176.300 0.079 0.000 1.335 985 R CA 0.133 56.253 56.100 0.033 0.000 0.791 985 R CB -0.924 29.395 30.300 0.031 0.000 2.760 985 R HN 0.234 nan 8.270 nan 0.000 0.520 986 I N 3.942 124.592 120.570 0.133 0.000 2.433 986 I HA 0.120 4.290 4.170 -0.001 0.000 0.292 986 I C 0.312 176.615 176.117 0.310 0.000 1.001 986 I CA -0.799 60.633 61.300 0.219 0.000 1.119 986 I CB 1.118 39.291 38.000 0.289 0.000 1.289 986 I HN 0.530 nan 8.210 nan 0.000 0.438 987 Y N 6.836 127.201 120.300 0.107 0.000 2.770 987 Y HA 0.055 4.604 4.550 -0.001 0.000 0.342 987 Y C -1.119 174.828 175.900 0.079 0.000 1.221 987 Y CA 0.587 58.736 58.100 0.081 0.000 1.560 987 Y CB -0.046 38.412 38.460 -0.003 0.000 1.213 987 Y HN 0.316 nan 8.280 nan 0.000 0.525 988 F N 4.842 124.616 119.950 -0.294 0.000 2.449 988 F HA 0.657 5.184 4.527 -0.001 0.000 0.342 988 F C 0.529 176.059 175.800 -0.449 0.000 1.127 988 F CA -0.297 57.561 58.000 -0.236 0.000 0.975 988 F CB 1.739 40.668 39.000 -0.119 0.000 1.146 988 F HN 0.622 nan 8.300 nan 0.000 0.444 989 G N 1.828 110.480 108.800 -0.246 0.000 2.766 989 G HA2 0.634 4.593 3.960 -0.001 0.000 0.288 989 G HA3 0.634 4.593 3.960 -0.001 0.000 0.288 989 G C -2.140 172.759 174.900 -0.002 0.000 1.408 989 G CA -0.784 44.194 45.100 -0.203 0.000 0.852 989 G HN 0.340 nan 8.290 nan 0.000 0.487 990 V N 0.332 120.279 119.914 0.055 0.000 2.378 990 V HA 0.586 4.706 4.120 -0.001 0.000 0.288 990 V C -0.539 175.674 176.094 0.198 0.000 1.016 990 V CA -0.585 61.782 62.300 0.111 0.000 0.840 990 V CB 1.208 33.082 31.823 0.085 0.000 0.994 990 V HN 0.520 nan 8.190 nan 0.000 0.431 991 V N 4.964 125.032 119.914 0.257 0.000 2.531 991 V HA 0.339 4.458 4.120 -0.001 0.000 0.301 991 V C -0.855 175.505 176.094 0.444 0.000 1.034 991 V CA -0.926 61.592 62.300 0.363 0.000 0.865 991 V CB 2.017 34.094 31.823 0.423 0.000 0.995 991 V HN 0.779 nan 8.190 nan 0.000 0.424 992 Y N 5.581 126.047 120.300 0.276 0.000 2.537 992 Y HA 0.349 4.899 4.550 -0.001 0.000 0.339 992 Y C -0.704 175.371 175.900 0.291 0.000 1.066 992 Y CA 0.257 58.517 58.100 0.265 0.000 1.357 992 Y CB 0.047 38.614 38.460 0.178 0.000 1.175 992 Y HN 0.579 nan 8.280 nan 0.000 0.525 993 Y N 4.068 124.323 120.300 -0.074 0.000 2.528 993 Y HA 0.427 4.976 4.550 -0.001 0.000 0.335 993 Y C -0.673 175.176 175.900 -0.086 0.000 1.093 993 Y CA -0.768 57.343 58.100 0.019 0.000 1.134 993 Y CB 1.815 40.362 38.460 0.145 0.000 1.253 993 Y HN 0.525 nan 8.280 nan 0.000 0.478 994 Q N 1.817 121.652 119.800 0.058 0.000 2.285 994 Q HA 0.393 4.732 4.340 -0.001 0.000 0.269 994 Q C -1.491 174.427 176.000 -0.137 0.000 1.030 994 Q CA -1.226 54.582 55.803 0.009 0.000 0.788 994 Q CB 2.494 31.252 28.738 0.034 0.000 1.266 994 Q HN 0.479 nan 8.270 nan 0.000 0.438 995 K N 2.878 123.127 120.400 -0.251 0.000 2.322 995 K HA 0.265 4.585 4.320 -0.001 0.000 0.283 995 K C -0.988 175.384 176.600 -0.380 0.000 1.042 995 K CA -0.423 55.465 56.287 -0.665 0.000 0.958 995 K CB 0.555 32.712 32.500 -0.571 0.000 0.984 995 K HN 0.536 nan 8.250 nan 0.000 0.473 996 L N 3.708 124.687 121.223 -0.408 0.000 2.399 996 L HA 0.215 4.554 4.340 -0.001 0.000 0.265 996 L C 1.028 177.705 176.870 -0.323 0.000 1.089 996 L CA -0.012 54.660 54.840 -0.279 0.000 0.802 996 L CB 1.074 43.024 42.059 -0.182 0.000 1.180 996 L HN 0.795 nan 8.230 nan 0.000 0.454 997 H N -1.710 117.123 119.070 -0.394 0.000 2.556 997 H HA 0.096 4.652 4.556 -0.001 0.000 0.268 997 H C -0.135 174.977 175.328 -0.360 0.000 0.996 997 H CA 0.148 55.905 56.048 -0.485 0.000 1.157 997 H CB -0.565 28.797 29.762 -0.668 0.000 1.355 997 H HN 0.354 nan 8.280 nan 0.000 0.597 998 H N 1.700 120.539 119.070 -0.384 0.000 3.205 998 H HA 0.185 4.740 4.556 -0.001 0.000 0.262 998 H C -0.079 175.170 175.328 -0.132 0.000 1.333 998 H CA 0.076 55.992 56.048 -0.221 0.000 1.499 998 H CB -0.103 29.514 29.762 -0.241 0.000 1.609 998 H HN 0.391 nan 8.280 nan 0.000 0.498 999 M N 1.761 121.352 119.600 -0.015 0.000 2.423 999 M HA 0.085 4.564 4.480 -0.001 0.000 0.335 999 M C 1.529 177.816 176.300 -0.022 0.000 1.177 999 M CA -0.633 54.652 55.300 -0.026 0.000 1.038 999 M CB 2.751 35.316 32.600 -0.058 0.000 1.641 999 M HN 0.262 nan 8.290 nan 0.000 0.455 1000 V N 2.202 122.112 119.914 -0.007 0.000 2.548 1000 V HA -0.117 4.003 4.120 -0.001 0.000 0.249 1000 V C 1.938 178.022 176.094 -0.017 0.000 1.055 1000 V CA 2.433 64.731 62.300 -0.002 0.000 1.065 1000 V CB -0.090 31.738 31.823 0.008 0.000 0.681 1000 V HN 1.010 nan 8.190 nan 0.000 0.462 1001 A N -0.914 121.884 122.820 -0.037 0.000 2.248 1001 A HA -0.102 4.218 4.320 -0.001 0.000 0.210 1001 A C 1.667 179.210 177.584 -0.070 0.000 1.174 1001 A CA 1.415 53.425 52.037 -0.046 0.000 0.750 1001 A CB -0.412 18.556 19.000 -0.053 0.000 0.780 1001 A HN 0.633 nan 8.150 nan 0.000 0.478 1002 D N -0.953 119.396 120.400 -0.085 0.000 2.366 1002 D HA 0.035 4.675 4.640 -0.001 0.000 0.205 1002 D C 1.480 177.755 176.300 -0.041 0.000 1.022 1002 D CA 0.533 54.473 54.000 -0.099 0.000 0.868 1002 D CB 0.273 40.984 40.800 -0.148 0.000 0.953 1002 D HN 0.166 nan 8.370 nan 0.000 0.514 1003 K N 0.480 120.874 120.400 -0.010 0.000 2.287 1003 K HA 0.181 4.501 4.320 -0.001 0.000 0.199 1003 K C 1.202 177.841 176.600 0.065 0.000 1.061 1003 K CA -0.390 55.910 56.287 0.023 0.000 0.976 1003 K CB 0.526 33.042 32.500 0.028 0.000 0.898 1003 K HN 0.167 nan 8.250 nan 0.000 0.492 1004 I N 2.386 122.989 120.570 0.054 0.000 2.996 1004 I HA -0.226 3.943 4.170 -0.001 0.000 0.311 1004 I C -0.220 175.998 176.117 0.167 0.000 1.219 1004 I CA 1.072 62.422 61.300 0.084 0.000 1.452 1004 I CB 0.193 38.220 38.000 0.046 0.000 1.319 1004 I HN 0.325 nan 8.210 nan 0.000 0.564 1005 H N 6.352 125.443 119.070 0.035 0.000 2.826 1005 H HA 0.435 4.990 4.556 -0.001 0.000 0.255 1005 H C -1.066 174.296 175.328 0.056 0.000 1.427 1005 H CA -0.553 55.528 56.048 0.054 0.000 1.521 1005 H CB 0.378 30.168 29.762 0.046 0.000 1.934 1005 H HN 0.777 nan 8.280 nan 0.000 0.644 1006 A N 2.960 125.863 122.820 0.138 0.000 2.302 1006 A HA 0.693 5.012 4.320 -0.001 0.000 0.285 1006 A C -0.116 177.498 177.584 0.050 0.000 1.105 1006 A CA -0.552 51.506 52.037 0.035 0.000 0.816 1006 A CB 0.553 19.588 19.000 0.059 0.000 1.067 1006 A HN 0.794 nan 8.150 nan 0.000 0.489 1007 R N 1.292 121.782 120.500 -0.017 0.000 2.695 1007 R HA 0.428 4.767 4.340 -0.001 0.000 0.288 1007 R C 0.298 176.596 176.300 -0.003 0.000 1.344 1007 R CA 0.086 56.186 56.100 -0.001 0.000 1.005 1007 R CB 1.363 31.635 30.300 -0.047 0.000 1.233 1007 R HN 0.722 nan 8.270 nan 0.000 0.442 1008 A N 2.627 125.457 122.820 0.017 0.000 1.871 1008 A HA 0.160 4.480 4.320 -0.001 0.000 0.211 1008 A C 0.787 178.374 177.584 0.005 0.000 1.207 1008 A CA 0.950 52.994 52.037 0.011 0.000 0.620 1008 A CB 0.281 19.295 19.000 0.022 0.000 0.860 1008 A HN 0.530 nan 8.150 nan 0.000 0.450 1009 R N -2.130 118.374 120.500 0.008 0.000 2.560 1009 R HA 0.478 4.817 4.340 -0.001 0.000 0.267 1009 R C -0.604 175.694 176.300 -0.003 0.000 1.150 1009 R CA 0.300 56.401 56.100 0.001 0.000 0.997 1009 R CB 1.250 31.552 30.300 0.003 0.000 1.250 1009 R HN 0.556 nan 8.270 nan 0.000 0.433 1010 G N 2.672 111.465 108.800 -0.011 0.000 2.921 1010 G HA2 0.640 4.599 3.960 -0.001 0.000 0.291 1010 G HA3 0.640 4.599 3.960 -0.001 0.000 0.291 1010 G C -2.663 172.224 174.900 -0.023 0.000 1.370 1010 G CA -0.851 44.236 45.100 -0.022 0.000 0.847 1010 G HN 0.465 nan 8.290 nan 0.000 0.532 1011 P HA 0.527 nan 4.420 nan 0.000 0.275 1011 P C -0.451 176.834 177.300 -0.026 0.000 1.266 1011 P CA -0.305 62.777 63.100 -0.029 0.000 0.793 1011 P CB 1.364 33.045 31.700 -0.031 0.000 1.074 1012 V N -3.688 116.206 119.914 -0.032 0.000 3.040 1012 V HA 0.379 4.498 4.120 -0.001 0.000 0.312 1012 V C -0.205 175.873 176.094 -0.028 0.000 1.115 1012 V CA -1.154 61.128 62.300 -0.029 0.000 0.998 1012 V CB 1.492 33.287 31.823 -0.046 0.000 1.042 1012 V HN 0.454 nan 8.190 nan 0.000 0.433 1013 Q N 2.142 121.934 119.800 -0.013 0.000 2.286 1013 Q HA 0.174 4.514 4.340 -0.001 0.000 0.290 1013 Q C 1.474 177.462 176.000 -0.020 0.000 1.049 1013 Q CA 0.584 56.384 55.803 -0.006 0.000 0.923 1013 Q CB 1.209 29.954 28.738 0.012 0.000 1.183 1013 Q HN 0.911 nan 8.270 nan 0.000 0.383 1014 I N -0.619 119.939 120.570 -0.019 0.000 2.423 1014 I HA -0.276 3.894 4.170 -0.001 0.000 0.254 1014 I C 1.750 177.855 176.117 -0.019 0.000 1.151 1014 I CA 1.156 62.437 61.300 -0.031 0.000 1.421 1014 I CB -0.330 37.658 38.000 -0.020 0.000 1.079 1014 I HN 0.506 nan 8.210 nan 0.000 0.431 1015 L N 1.761 122.995 121.223 0.019 0.000 2.130 1015 L HA -0.016 4.323 4.340 -0.001 0.000 0.200 1015 L C 2.519 179.478 176.870 0.149 0.000 1.075 1015 L CA 2.449 57.332 54.840 0.071 0.000 0.768 1015 L CB -0.895 41.199 42.059 0.058 0.000 0.933 1015 L HN 0.499 nan 8.230 nan 0.000 0.451 1016 T N -3.406 111.216 114.554 0.113 0.000 3.081 1016 T HA 0.054 4.404 4.350 -0.001 0.000 0.255 1016 T C 1.099 175.884 174.700 0.142 0.000 1.113 1016 T CA -0.070 62.136 62.100 0.176 0.000 1.082 1016 T CB -0.124 68.811 68.868 0.111 0.000 0.939 1016 T HN 0.385 nan 8.240 nan 0.000 0.506 1017 R N 1.050 121.532 120.500 -0.031 0.000 3.627 1017 R HA -0.149 4.191 4.340 -0.001 0.000 0.281 1017 R C -0.545 175.731 176.300 -0.039 0.000 1.140 1017 R CA 0.605 56.618 56.100 -0.145 0.000 0.761 1017 R CB -1.924 28.108 30.300 -0.446 0.000 1.181 1017 R HN 0.652 nan 8.270 nan 0.000 0.472 1018 Q N -0.560 119.246 119.800 0.010 0.000 2.387 1018 Q HA 0.434 4.773 4.340 -0.001 0.000 0.273 1018 Q C -2.451 173.560 176.000 0.017 0.000 1.089 1018 Q CA -2.485 53.335 55.803 0.028 0.000 0.824 1018 Q CB 2.000 30.772 28.738 0.057 0.000 1.367 1018 Q HN -0.156 nan 8.270 nan 0.000 0.443 1019 P HA -0.123 nan 4.420 nan 0.000 0.267 1019 P C -0.520 176.794 177.300 0.023 0.000 1.195 1019 P CA 0.455 63.565 63.100 0.017 0.000 0.773 1019 P CB 0.335 32.049 31.700 0.024 0.000 0.837 1020 T N -0.943 113.622 114.554 0.019 0.000 2.881 1020 T HA 0.341 4.690 4.350 -0.001 0.000 0.278 1020 T C -0.104 174.619 174.700 0.038 0.000 0.982 1020 T CA -0.795 61.318 62.100 0.021 0.000 0.989 1020 T CB 1.037 69.909 68.868 0.008 0.000 1.058 1020 T HN 0.312 nan 8.240 nan 0.000 0.529 1021 E N -0.098 120.125 120.200 0.037 0.000 2.248 1021 E HA 0.519 4.869 4.350 -0.001 0.000 0.272 1021 E C 0.420 177.043 176.600 0.039 0.000 1.008 1021 E CA 0.206 56.637 56.400 0.052 0.000 0.856 1021 E CB 1.102 30.828 29.700 0.043 0.000 1.120 1021 E HN 1.263 nan 8.360 nan 0.000 0.397 1022 G N 2.967 111.795 108.800 0.047 0.000 2.712 1022 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.686 1022 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.686 1022 G C 0.410 175.238 174.900 -0.120 0.000 1.321 1022 G CA 0.153 45.234 45.100 -0.032 0.000 0.813 1022 G HN 0.668 nan 8.290 nan 0.000 0.599 1023 R N 0.904 121.235 120.500 -0.282 0.000 2.115 1023 R HA 0.117 4.457 4.340 -0.001 0.000 0.230 1023 R C 3.037 179.295 176.300 -0.069 0.000 1.111 1023 R CA 2.199 58.119 56.100 -0.301 0.000 0.976 1023 R CB -0.442 29.677 30.300 -0.302 0.000 0.870 1023 R HN 1.127 nan 8.270 nan 0.000 0.445 1024 A N 0.691 123.490 122.820 -0.036 0.000 1.978 1024 A HA -0.143 4.176 4.320 -0.001 0.000 0.220 1024 A C 1.842 179.419 177.584 -0.011 0.000 1.170 1024 A CA 1.336 53.381 52.037 0.014 0.000 0.636 1024 A CB -0.183 18.831 19.000 0.022 0.000 0.810 1024 A HN 0.328 nan 8.150 nan 0.000 0.448 1025 R N -0.723 119.757 120.500 -0.034 0.000 2.437 1025 R HA 0.152 4.492 4.340 -0.001 0.000 0.257 1025 R C 0.265 176.520 176.300 -0.074 0.000 0.927 1025 R CA 0.506 56.579 56.100 -0.045 0.000 1.078 1025 R CB 0.085 30.376 30.300 -0.014 0.000 1.161 1025 R HN 0.844 nan 8.270 nan 0.000 0.529 1026 E N -0.488 119.664 120.200 -0.080 0.000 3.901 1026 E HA -0.367 3.983 4.350 -0.001 0.000 0.244 1026 E C 0.734 177.345 176.600 0.019 0.000 1.541 1026 E CA 0.891 57.281 56.400 -0.017 0.000 2.460 1026 E CB -1.064 28.518 29.700 -0.196 0.000 2.111 1026 E HN 0.179 nan 8.360 nan 0.000 0.428 1027 G N -0.410 108.397 108.800 0.012 0.000 3.141 1027 G HA2 0.261 4.221 3.960 -0.001 0.000 0.205 1027 G HA3 0.261 4.221 3.960 -0.001 0.000 0.205 1027 G C 0.377 175.287 174.900 0.017 0.000 1.924 1027 G CA 0.616 45.722 45.100 0.010 0.000 1.573 1027 G HN 1.772 nan 8.290 nan 0.000 0.591 1028 G N -0.838 107.983 108.800 0.036 0.000 2.411 1028 G HA2 0.633 4.592 3.960 -0.001 0.000 0.295 1028 G HA3 0.633 4.592 3.960 -0.001 0.000 0.295 1028 G C -0.195 174.721 174.900 0.028 0.000 1.542 1028 G CA -0.120 44.988 45.100 0.013 0.000 0.814 1028 G HN 0.828 nan 8.290 nan 0.000 0.557 1029 L N -0.292 120.927 121.223 -0.007 0.000 2.347 1029 L HA 0.495 4.834 4.340 -0.001 0.000 0.172 1029 L C 1.191 178.101 176.870 0.066 0.000 1.009 1029 L CA -0.223 54.630 54.840 0.022 0.000 0.974 1029 L CB 0.278 42.337 42.059 -0.000 0.000 1.427 1029 L HN 0.530 nan 8.230 nan 0.000 0.507 1030 R N -0.315 120.230 120.500 0.077 0.000 2.538 1030 R HA 0.285 4.624 4.340 -0.001 0.000 0.292 1030 R C -1.804 174.567 176.300 0.118 0.000 1.008 1030 R CA -0.543 55.614 56.100 0.093 0.000 0.896 1030 R CB 1.200 31.534 30.300 0.057 0.000 1.187 1030 R HN 0.330 nan 8.270 nan 0.000 0.440 1031 F N 4.088 124.046 119.950 0.012 0.000 2.291 1031 F HA 0.466 4.992 4.527 -0.001 0.000 0.368 1031 F C 0.316 176.124 175.800 0.014 0.000 1.085 1031 F CA -0.156 57.851 58.000 0.012 0.000 1.165 1031 F CB 1.106 40.114 39.000 0.013 0.000 1.429 1031 F HN 0.657 nan 8.300 nan 0.000 0.503 1032 G N 3.423 112.125 108.800 -0.163 0.000 2.543 1032 G HA2 0.157 4.116 3.960 -0.001 0.000 0.290 1032 G HA3 0.157 4.116 3.960 -0.001 0.000 0.290 1032 G C 0.563 175.409 174.900 -0.091 0.000 1.310 1032 G CA -0.403 44.651 45.100 -0.077 0.000 1.025 1032 G HN 0.648 nan 8.290 nan 0.000 0.502 1033 E N -0.619 119.558 120.200 -0.038 0.000 2.085 1033 E HA -0.175 4.174 4.350 -0.001 0.000 0.194 1033 E C 2.484 179.045 176.600 -0.065 0.000 0.994 1033 E CA 1.309 57.697 56.400 -0.020 0.000 0.801 1033 E CB -0.145 29.549 29.700 -0.009 0.000 0.743 1033 E HN 0.436 nan 8.360 nan 0.000 0.453 1034 M N 0.216 119.751 119.600 -0.107 0.000 2.296 1034 M HA -0.142 4.338 4.480 -0.001 0.000 0.265 1034 M C 1.563 177.741 176.300 -0.204 0.000 1.064 1034 M CA 1.159 56.382 55.300 -0.128 0.000 1.109 1034 M CB 0.078 32.609 32.600 -0.115 0.000 1.396 1034 M HN -0.022 nan 8.290 nan 0.000 0.430 1035 E N 0.075 120.053 120.200 -0.371 0.000 2.230 1035 E HA -0.102 4.247 4.350 -0.001 0.000 0.192 1035 E C 1.807 178.094 176.600 -0.523 0.000 0.987 1035 E CA 0.781 56.756 56.400 -0.708 0.000 0.841 1035 E CB -0.087 28.736 29.700 -1.463 0.000 0.783 1035 E HN 0.508 nan 8.360 nan 0.000 0.481 1036 R N 0.337 120.769 120.500 -0.113 0.000 2.240 1036 R HA 0.074 4.414 4.340 -0.001 0.000 0.203 1036 R C 1.086 177.444 176.300 0.096 0.000 1.011 1036 R CA 0.954 57.234 56.100 0.300 0.000 1.007 1036 R CB -0.033 30.464 30.300 0.328 0.000 0.911 1036 R HN -0.064 nan 8.270 nan 0.000 0.468 1037 D N 0.994 121.387 120.400 -0.011 0.000 2.117 1037 D HA -0.120 4.519 4.640 -0.001 0.000 0.197 1037 D C 1.643 177.908 176.300 -0.058 0.000 0.987 1037 D CA 1.260 55.239 54.000 -0.035 0.000 0.829 1037 D CB -0.328 40.435 40.800 -0.062 0.000 0.961 1037 D HN 0.276 nan 8.370 nan 0.000 0.460 1038 C N 0.493 119.744 119.300 -0.081 0.000 2.413 1038 C HA -0.085 4.375 4.460 -0.001 0.000 0.276 1038 C C 2.844 177.797 174.990 -0.062 0.000 1.236 1038 C CA 0.293 59.233 59.018 -0.131 0.000 1.735 1038 C CB -1.010 26.669 27.740 -0.102 0.000 2.031 1038 C HN 0.390 nan 8.230 nan 0.000 0.474 1039 L N 0.045 121.338 121.223 0.116 0.000 2.291 1039 L HA -0.057 4.282 4.340 -0.001 0.000 0.214 1039 L C 2.302 179.246 176.870 0.124 0.000 1.120 1039 L CA 1.219 56.173 54.840 0.191 0.000 0.799 1039 L CB -0.526 41.677 42.059 0.240 0.000 0.925 1039 L HN 0.422 nan 8.230 nan 0.000 0.446 1040 I N -0.205 120.405 120.570 0.067 0.000 2.252 1040 I HA -0.167 4.003 4.170 -0.001 0.000 0.245 1040 I C 2.643 178.774 176.117 0.023 0.000 1.102 1040 I CA 1.189 62.517 61.300 0.045 0.000 1.385 1040 I CB -0.722 37.294 38.000 0.027 0.000 1.064 1040 I HN 0.238 nan 8.210 nan 0.000 0.414 1041 G N 1.213 109.985 108.800 -0.046 0.000 2.553 1041 G HA2 -0.292 3.667 3.960 -0.001 0.000 0.218 1041 G HA3 -0.292 3.667 3.960 -0.001 0.000 0.218 1041 G C 1.385 176.274 174.900 -0.018 0.000 1.195 1041 G CA 0.744 45.781 45.100 -0.105 0.000 0.779 1041 G HN 0.223 nan 8.290 nan 0.000 0.577 1042 F N 1.732 121.694 119.950 0.020 0.000 2.641 1042 F HA 0.184 4.710 4.527 -0.001 0.000 0.298 1042 F C 2.456 178.264 175.800 0.013 0.000 1.146 1042 F CA 0.241 58.251 58.000 0.017 0.000 1.464 1042 F CB -0.529 38.484 39.000 0.022 0.000 1.101 1042 F HN 0.351 nan 8.300 nan 0.000 0.585 1043 G N -0.312 108.600 108.800 0.186 0.000 2.205 1043 G HA2 -0.364 3.596 3.960 -0.001 0.000 0.269 1043 G HA3 -0.364 3.596 3.960 -0.001 0.000 0.269 1043 G C 0.861 175.821 174.900 0.099 0.000 0.977 1043 G CA 0.787 45.954 45.100 0.111 0.000 0.652 1043 G HN 0.452 nan 8.290 nan 0.000 0.539 1044 T N 0.520 115.157 114.554 0.139 0.000 2.891 1044 T HA 0.523 4.872 4.350 -0.001 0.000 0.258 1044 T C 1.670 176.406 174.700 0.060 0.000 0.942 1044 T CA 0.983 63.133 62.100 0.082 0.000 1.200 1044 T CB 0.048 68.969 68.868 0.090 0.000 0.922 1044 T HN 1.083 nan 8.240 nan 0.000 0.585 1045 A N 6.527 129.366 122.820 0.032 0.000 1.878 1045 A HA 0.129 4.448 4.320 -0.001 0.000 0.213 1045 A C 2.305 179.890 177.584 0.001 0.000 1.192 1045 A CA 0.371 52.420 52.037 0.019 0.000 0.619 1045 A CB -0.288 18.719 19.000 0.012 0.000 0.837 1045 A HN 0.696 nan 8.150 nan 0.000 0.446 1046 M N -0.646 118.950 119.600 -0.006 0.000 2.229 1046 M HA -0.027 4.453 4.480 -0.001 0.000 0.264 1046 M C 2.079 178.362 176.300 -0.028 0.000 1.063 1046 M CA 0.968 56.257 55.300 -0.018 0.000 1.114 1046 M CB -1.129 31.460 32.600 -0.019 0.000 1.387 1046 M HN 0.450 nan 8.290 nan 0.000 0.420 1047 L N 0.379 121.589 121.223 -0.022 0.000 2.012 1047 L HA -0.177 4.163 4.340 -0.001 0.000 0.210 1047 L C 2.262 179.092 176.870 -0.067 0.000 1.073 1047 L CA 1.559 56.378 54.840 -0.035 0.000 0.748 1047 L CB -0.846 41.207 42.059 -0.010 0.000 0.891 1047 L HN 0.236 nan 8.230 nan 0.000 0.431 1048 L N -0.464 120.735 121.223 -0.041 0.000 2.013 1048 L HA -0.305 4.034 4.340 -0.001 0.000 0.212 1048 L C 2.707 179.522 176.870 -0.092 0.000 1.073 1048 L CA 2.076 56.877 54.840 -0.064 0.000 0.753 1048 L CB -0.394 41.668 42.059 0.005 0.000 0.890 1048 L HN 0.359 nan 8.230 nan 0.000 0.432 1049 K N -0.248 120.117 120.400 -0.059 0.000 2.057 1049 K HA -0.243 4.076 4.320 -0.001 0.000 0.207 1049 K C 0.690 177.246 176.600 -0.073 0.000 1.049 1049 K CA 1.835 58.088 56.287 -0.057 0.000 0.931 1049 K CB -0.135 32.342 32.500 -0.040 0.000 0.714 1049 K HN 0.286 nan 8.250 nan 0.000 0.440 1050 D N -0.161 120.194 120.400 -0.076 0.000 2.982 1050 D HA 0.004 4.643 4.640 -0.001 0.000 0.238 1050 D C 0.665 176.891 176.300 -0.122 0.000 1.168 1050 D CA 0.058 54.012 54.000 -0.077 0.000 0.947 1050 D CB 0.304 41.069 40.800 -0.059 0.000 1.147 1050 D HN 0.094 nan 8.370 nan 0.000 0.450 1051 R N -0.313 120.090 120.500 -0.162 0.000 4.485 1051 R HA 0.215 4.554 4.340 -0.001 0.000 0.062 1051 R C -0.261 175.899 176.300 -0.233 0.000 0.733 1051 R CA 0.177 56.109 56.100 -0.280 0.000 1.826 1051 R CB -0.191 29.812 30.300 -0.495 0.000 1.459 1051 R HN 0.130 nan 8.270 nan 0.000 0.422 1052 L N 1.835 122.943 121.223 -0.191 0.000 2.912 1052 L HA 0.502 4.842 4.340 -0.001 0.000 0.240 1052 L C 0.722 177.575 176.870 -0.030 0.000 1.262 1052 L CA 0.367 55.160 54.840 -0.078 0.000 1.058 1052 L CB 0.846 42.887 42.059 -0.030 0.000 1.383 1052 L HN 0.435 nan 8.230 nan 0.000 0.512 1053 L N -2.884 118.317 121.223 -0.036 0.000 1.382 1053 L HA 0.186 4.525 4.340 -0.001 0.000 0.119 1053 L C 0.607 177.472 176.870 -0.009 0.000 1.393 1053 L CA 0.402 55.236 54.840 -0.010 0.000 1.170 1053 L CB 0.259 42.308 42.059 -0.017 0.000 2.429 1053 L HN -0.095 nan 8.230 nan 0.000 0.470 1054 D N 0.983 121.367 120.400 -0.025 0.000 2.363 1054 D HA 0.038 4.678 4.640 -0.001 0.000 0.226 1054 D C -0.008 176.281 176.300 -0.019 0.000 1.020 1054 D CA 0.771 54.760 54.000 -0.018 0.000 0.892 1054 D CB -0.093 40.691 40.800 -0.026 0.000 0.900 1054 D HN 0.454 nan 8.370 nan 0.000 0.531 1055 N N -1.123 117.561 118.700 -0.027 0.000 2.536 1055 N HA 0.179 4.919 4.740 -0.001 0.000 0.286 1055 N C 0.018 175.521 175.510 -0.012 0.000 1.577 1055 N CA -0.086 52.949 53.050 -0.026 0.000 0.883 1055 N CB 1.217 39.675 38.487 -0.049 0.000 1.390 1055 N HN -0.212 nan 8.380 nan 0.000 0.491 1056 S N -0.322 115.382 115.700 0.005 0.000 3.916 1056 S HA 0.080 4.549 4.470 -0.001 0.000 0.231 1056 S C -1.099 173.523 174.600 0.036 0.000 1.161 1056 S CA -0.210 58.004 58.200 0.024 0.000 0.938 1056 S CB 0.957 64.179 63.200 0.036 0.000 1.170 1056 S HN 0.429 nan 8.310 nan 0.000 0.508 1057 D N 1.185 121.617 120.400 0.052 0.000 2.826 1057 D HA 0.157 4.796 4.640 -0.001 0.000 0.239 1057 D C -1.003 175.355 176.300 0.097 0.000 1.329 1057 D CA -0.281 53.765 54.000 0.077 0.000 0.854 1057 D CB 0.027 40.907 40.800 0.134 0.000 1.494 1057 D HN 0.045 nan 8.370 nan 0.000 0.540 1058 R N 0.643 121.185 120.500 0.070 0.000 2.265 1058 R HA 0.632 4.971 4.340 -0.001 0.000 0.314 1058 R C -0.266 176.103 176.300 0.115 0.000 1.053 1058 R CA 0.217 56.364 56.100 0.077 0.000 0.931 1058 R CB 1.396 31.725 30.300 0.048 0.000 1.024 1058 R HN 0.267 nan 8.270 nan 0.000 0.457 1059 T N -0.136 114.510 114.554 0.154 0.000 2.864 1059 T HA 0.211 4.560 4.350 -0.001 0.000 0.299 1059 T C 0.575 175.378 174.700 0.172 0.000 1.166 1059 T CA -0.834 61.410 62.100 0.239 0.000 1.007 1059 T CB 1.914 70.999 68.868 0.363 0.000 1.219 1059 T HN 0.614 nan 8.240 nan 0.000 0.506 1060 T N -1.353 113.308 114.554 0.179 0.000 3.044 1060 T HA 0.292 4.642 4.350 -0.001 0.000 0.260 1060 T C 0.674 175.044 174.700 -0.550 0.000 1.019 1060 T CA -0.403 61.567 62.100 -0.216 0.000 0.921 1060 T CB -0.672 67.950 68.868 -0.409 0.000 1.053 1060 T HN 0.483 nan 8.240 nan 0.000 0.533 1061 I N 3.270 123.770 120.570 -0.117 0.000 3.022 1061 I HA -0.235 3.934 4.170 -0.001 0.000 0.227 1061 I C -0.010 175.887 176.117 -0.366 0.000 0.956 1061 I CA 0.765 62.009 61.300 -0.094 0.000 2.499 1061 I CB -0.646 37.509 38.000 0.259 0.000 0.805 1061 I HN 0.295 nan 8.210 nan 0.000 0.367 1062 Y N 4.847 124.974 120.300 -0.289 0.000 2.298 1062 Y HA 0.596 5.145 4.550 -0.001 0.000 0.329 1062 Y C 0.526 176.447 175.900 0.034 0.000 1.293 1062 Y CA -0.674 57.349 58.100 -0.129 0.000 1.388 1062 Y CB 0.636 39.008 38.460 -0.147 0.000 1.309 1062 Y HN 0.201 nan 8.280 nan 0.000 0.544 1063 V N 1.138 121.189 119.914 0.228 0.000 2.577 1063 V HA 0.186 4.306 4.120 -0.001 0.000 0.303 1063 V C -0.569 175.639 176.094 0.189 0.000 1.042 1063 V CA -1.351 61.064 62.300 0.191 0.000 0.872 1063 V CB 1.695 33.612 31.823 0.157 0.000 0.998 1063 V HN 0.994 nan 8.190 nan 0.000 0.423 1064 C N 3.563 122.928 119.300 0.109 0.000 2.653 1064 C HA 0.092 4.551 4.460 -0.001 0.000 0.421 1064 C C 1.849 176.880 174.990 0.069 0.000 1.334 1064 C CA 0.274 59.324 59.018 0.054 0.000 1.885 1064 C CB -0.125 27.593 27.740 -0.037 0.000 2.645 1064 C HN 1.065 nan 8.230 nan 0.000 0.601 1065 D N 1.284 121.751 120.400 0.112 0.000 2.183 1065 D HA -0.073 4.567 4.640 -0.001 0.000 0.205 1065 D C 1.864 178.181 176.300 0.028 0.000 0.962 1065 D CA 1.430 55.508 54.000 0.131 0.000 0.849 1065 D CB 0.190 41.139 40.800 0.248 0.000 0.978 1065 D HN 0.790 nan 8.370 nan 0.000 0.488 1066 Q N -0.508 119.291 119.800 -0.002 0.000 2.123 1066 Q HA -0.053 4.286 4.340 -0.001 0.000 0.196 1066 Q C 2.558 178.510 176.000 -0.080 0.000 0.958 1066 Q CA 1.457 57.241 55.803 -0.031 0.000 0.841 1066 Q CB 0.346 29.069 28.738 -0.025 0.000 0.915 1066 Q HN 0.483 nan 8.270 nan 0.000 0.455 1067 C N -3.592 115.620 119.300 -0.146 0.000 2.469 1067 C HA 0.698 5.158 4.460 -0.001 0.000 0.309 1067 C C 1.599 176.312 174.990 -0.461 0.000 1.385 1067 C CA 0.270 59.105 59.018 -0.305 0.000 1.890 1067 C CB 0.212 27.729 27.740 -0.371 0.000 2.245 1067 C HN 0.607 nan 8.230 nan 0.000 0.530 1068 G N 0.986 109.573 108.800 -0.354 0.000 2.261 1068 G HA2 -0.065 3.894 3.960 -0.001 0.000 0.228 1068 G HA3 -0.065 3.894 3.960 -0.001 0.000 0.228 1068 G C -0.210 174.607 174.900 -0.138 0.000 2.090 1068 G CA -0.033 44.929 45.100 -0.229 0.000 1.588 1068 G HN 1.043 nan 8.290 nan 0.000 0.520 1069 Y N 1.163 121.512 120.300 0.081 0.000 2.620 1069 Y HA 0.683 5.233 4.550 -0.001 0.000 0.330 1069 Y C 1.354 177.319 175.900 0.107 0.000 1.186 1069 Y CA 0.100 58.257 58.100 0.095 0.000 1.467 1069 Y CB 0.685 39.187 38.460 0.069 0.000 1.262 1069 Y HN 0.704 nan 8.280 nan 0.000 0.550 1070 I N 0.516 121.258 120.570 0.287 0.000 4.612 1070 I HA 0.023 4.192 4.170 -0.001 0.000 0.382 1070 I C 0.849 177.182 176.117 0.361 0.000 0.697 1070 I CA 0.559 62.043 61.300 0.306 0.000 1.470 1070 I CB -0.540 37.653 38.000 0.321 0.000 3.230 1070 I HN 0.924 nan 8.210 nan 0.000 0.963 1071 G N 0.611 109.667 108.800 0.426 0.000 2.432 1071 G HA2 0.152 4.111 3.960 -0.001 0.000 0.239 1071 G HA3 0.152 4.111 3.960 -0.001 0.000 0.239 1071 G C 0.071 175.392 174.900 0.701 0.000 1.291 1071 G CA 0.114 45.601 45.100 0.645 0.000 0.863 1071 G HN 0.317 nan 8.290 nan 0.000 0.560 1072 W N 0.762 122.274 121.300 0.354 0.000 2.257 1072 W HA 0.246 4.906 4.660 -0.001 0.000 0.308 1072 W C 0.360 177.055 176.519 0.293 0.000 1.066 1072 W CA 1.503 59.042 57.345 0.323 0.000 1.195 1072 W CB -0.773 28.787 29.460 0.166 0.000 1.215 1072 W HN 0.555 nan 8.180 nan 0.000 0.460 1073 Y N 1.077 121.568 120.300 0.317 0.000 2.666 1073 Y HA -0.205 4.345 4.550 -0.001 0.000 0.047 1073 Y C -0.162 175.687 175.900 -0.085 0.000 1.851 1073 Y CA 0.263 58.425 58.100 0.103 0.000 1.295 1073 Y CB -1.613 36.898 38.460 0.084 0.000 1.947 1073 Y HN 0.125 nan 8.280 nan 0.000 0.279 1074 D N 0.931 121.351 120.400 0.032 0.000 2.768 1074 D HA 0.421 5.061 4.640 -0.001 0.000 0.327 1074 D C 0.429 176.702 176.300 -0.045 0.000 1.302 1074 D CA -0.239 53.680 54.000 -0.136 0.000 0.897 1074 D CB 1.619 42.305 40.800 -0.190 0.000 1.420 1074 D HN 0.473 nan 8.370 nan 0.000 0.494 1075 K N -0.413 119.948 120.400 -0.065 0.000 2.494 1075 K HA 0.229 4.548 4.320 -0.001 0.000 0.201 1075 K C 0.114 176.654 176.600 -0.100 0.000 1.338 1075 K CA -0.177 56.032 56.287 -0.129 0.000 0.935 1075 K CB 0.368 32.829 32.500 -0.066 0.000 1.514 1075 K HN 0.021 nan 8.250 nan 0.000 0.490 1076 N N 2.243 120.913 118.700 -0.050 0.000 2.434 1076 N HA 0.138 4.877 4.740 -0.001 0.000 0.272 1076 N C -1.357 174.135 175.510 -0.030 0.000 1.040 1076 N CA -0.401 52.627 53.050 -0.035 0.000 0.956 1076 N CB 1.294 39.770 38.487 -0.019 0.000 1.108 1076 N HN 0.198 nan 8.380 nan 0.000 0.481 1077 K N 1.222 121.604 120.400 -0.030 0.000 4.278 1077 K HA -0.243 4.077 4.320 -0.001 0.000 0.306 1077 K C -0.674 175.910 176.600 -0.027 0.000 1.041 1077 K CA 0.086 56.358 56.287 -0.025 0.000 0.957 1077 K CB -0.747 31.743 32.500 -0.017 0.000 1.522 1077 K HN 0.716 nan 8.250 nan 0.000 0.437 1078 N N 0.893 119.570 118.700 -0.039 0.000 2.804 1078 N HA 0.178 4.917 4.740 -0.001 0.000 0.233 1078 N C 0.447 175.917 175.510 -0.067 0.000 1.020 1078 N CA 1.470 54.494 53.050 -0.044 0.000 1.164 1078 N CB 0.408 38.872 38.487 -0.039 0.000 1.571 1078 N HN 0.562 nan 8.380 nan 0.000 0.551 1079 K N -2.148 118.201 120.400 -0.086 0.000 1.694 1079 K HA 0.306 4.626 4.320 -0.001 0.000 0.294 1079 K C -1.131 175.326 176.600 -0.238 0.000 0.847 1079 K CA -0.611 55.580 56.287 -0.160 0.000 0.439 1079 K CB 0.250 32.727 32.500 -0.037 0.000 3.046 1079 K HN -0.074 nan 8.250 nan 0.000 1.079 1080 Y N 0.338 120.569 120.300 -0.115 0.000 2.316 1080 Y HA 0.603 5.153 4.550 -0.001 0.000 0.331 1080 Y C -0.184 175.652 175.900 -0.107 0.000 1.083 1080 Y CA -0.239 57.768 58.100 -0.154 0.000 1.206 1080 Y CB 1.638 39.948 38.460 -0.251 0.000 1.195 1080 Y HN 0.248 nan 8.280 nan 0.000 0.497 1081 V N 3.037 122.987 119.914 0.061 0.000 3.204 1081 V HA 0.570 4.690 4.120 -0.001 0.000 0.298 1081 V C -0.909 175.112 176.094 -0.122 0.000 1.328 1081 V CA -0.972 61.308 62.300 -0.034 0.000 1.035 1081 V CB 1.883 33.653 31.823 -0.089 0.000 1.095 1081 V HN 1.058 nan 8.190 nan 0.000 0.442 1082 C N 2.799 122.030 119.300 -0.114 0.000 2.564 1082 C HA 0.727 5.186 4.460 -0.001 0.000 0.381 1082 C C -1.713 173.124 174.990 -0.254 0.000 1.297 1082 C CA -1.659 57.290 59.018 -0.114 0.000 1.846 1082 C CB 1.460 29.204 27.740 0.006 0.000 2.198 1082 C HN 0.665 nan 8.230 nan 0.000 0.507 1083 P HA -0.007 nan 4.420 nan 0.000 0.231 1083 P C 1.162 178.255 177.300 -0.345 0.000 1.158 1083 P CA 1.074 64.024 63.100 -0.251 0.000 0.763 1083 P CB -0.087 31.620 31.700 0.012 0.000 0.805 1084 I N -3.111 117.339 120.570 -0.201 0.000 3.783 1084 I HA 0.099 4.268 4.170 -0.001 0.000 0.310 1084 I C 0.607 176.683 176.117 -0.069 0.000 1.274 1084 I CA 0.286 61.506 61.300 -0.133 0.000 1.294 1084 I CB -1.654 36.315 38.000 -0.050 0.000 1.051 1084 I HN 0.176 nan 8.210 nan 0.000 0.435 1085 H N 0.253 119.274 119.070 -0.082 0.000 4.187 1085 H HA 0.058 4.613 4.556 -0.001 0.000 0.212 1085 H C 0.937 176.224 175.328 -0.068 0.000 0.768 1085 H CA 0.352 56.341 56.048 -0.098 0.000 1.046 1085 H CB -1.000 28.715 29.762 -0.078 0.000 1.414 1085 H HN 0.487 nan 8.280 nan 0.000 0.310 1086 G N -0.185 108.658 108.800 0.072 0.000 2.757 1086 G HA2 -0.167 3.793 3.960 -0.001 0.000 0.638 1086 G HA3 -0.167 3.793 3.960 -0.001 0.000 0.638 1086 G C -0.102 174.794 174.900 -0.008 0.000 1.344 1086 G CA 0.231 45.338 45.100 0.012 0.000 0.855 1086 G HN 0.666 nan 8.290 nan 0.000 0.537 1087 D N 0.379 120.769 120.400 -0.016 0.000 2.348 1087 D HA 0.060 4.700 4.640 -0.001 0.000 0.211 1087 D C 1.409 177.691 176.300 -0.029 0.000 0.998 1087 D CA 0.585 54.570 54.000 -0.024 0.000 0.873 1087 D CB 0.134 40.920 40.800 -0.023 0.000 0.925 1087 D HN 0.479 nan 8.370 nan 0.000 0.524 1088 K N 1.240 121.630 120.400 -0.017 0.000 2.440 1088 K HA 0.024 4.343 4.320 -0.001 0.000 0.270 1088 K C 0.650 177.239 176.600 -0.020 0.000 0.980 1088 K CA 0.345 56.624 56.287 -0.013 0.000 0.953 1088 K CB 0.437 32.935 32.500 -0.004 0.000 0.925 1088 K HN 0.047 nan 8.250 nan 0.000 0.497 1089 S N 1.452 117.147 115.700 -0.008 0.000 3.447 1089 S HA -0.172 4.297 4.470 -0.001 0.000 0.371 1089 S C -0.061 174.515 174.600 -0.041 0.000 0.951 1089 S CA 0.185 58.391 58.200 0.010 0.000 1.269 1089 S CB -1.747 61.463 63.200 0.017 0.000 0.919 1089 S HN 0.702 nan 8.310 nan 0.000 0.516 1090 N N 1.519 120.147 118.700 -0.120 0.000 2.225 1090 N HA 0.106 4.845 4.740 -0.001 0.000 0.257 1090 N C 1.073 176.246 175.510 -0.563 0.000 1.252 1090 N CA 0.623 53.492 53.050 -0.301 0.000 0.833 1090 N CB 0.157 38.432 38.487 -0.353 0.000 1.068 1090 N HN 0.599 nan 8.380 nan 0.000 0.468 1091 L N 1.376 122.301 121.223 -0.497 0.000 2.506 1091 L HA 0.378 4.718 4.340 -0.001 0.000 0.199 1091 L C -0.107 176.263 176.870 -0.834 0.000 1.178 1091 L CA 0.049 54.666 54.840 -0.372 0.000 0.868 1091 L CB 0.077 42.064 42.059 -0.121 0.000 1.451 1091 L HN 0.390 nan 8.230 nan 0.000 0.526 1092 F N -1.525 118.422 119.950 -0.006 0.000 2.639 1092 F HA 0.323 4.849 4.527 -0.001 0.000 0.320 1092 F C -2.526 173.281 175.800 0.012 0.000 1.128 1092 F CA -1.695 56.290 58.000 -0.025 0.000 1.037 1092 F CB 1.166 40.136 39.000 -0.051 0.000 1.288 1092 F HN 0.081 nan 8.300 nan 0.000 0.463 1093 P HA 0.314 nan 4.420 nan 0.000 0.276 1093 P C -1.056 176.161 177.300 -0.138 0.000 1.235 1093 P CA -0.221 62.714 63.100 -0.275 0.000 0.772 1093 P CB 1.135 32.694 31.700 -0.235 0.000 0.871 1094 V N 3.702 123.501 119.914 -0.192 0.000 2.482 1094 V HA 0.216 4.335 4.120 -0.001 0.000 0.295 1094 V C 0.054 176.087 176.094 -0.101 0.000 1.026 1094 V CA -0.474 61.765 62.300 -0.101 0.000 0.856 1094 V CB 1.842 33.631 31.823 -0.058 0.000 1.001 1094 V HN 0.426 nan 8.190 nan 0.000 0.424 1095 T N 4.876 119.385 114.554 -0.076 0.000 2.751 1095 T HA 0.471 4.821 4.350 -0.001 0.000 0.290 1095 T C -0.143 174.536 174.700 -0.036 0.000 0.919 1095 T CA 0.121 62.194 62.100 -0.046 0.000 1.136 1095 T CB 0.516 69.364 68.868 -0.033 0.000 0.875 1095 T HN 0.390 nan 8.240 nan 0.000 0.532 1096 V N 2.856 122.772 119.914 0.003 0.000 3.114 1096 V HA 0.481 4.601 4.120 -0.001 0.000 0.308 1096 V C 0.027 176.174 176.094 0.087 0.000 1.168 1096 V CA -1.252 61.052 62.300 0.006 0.000 1.015 1096 V CB 2.675 34.494 31.823 -0.007 0.000 1.050 1096 V HN 0.969 nan 8.190 nan 0.000 0.433 1097 S N 1.880 117.635 115.700 0.092 0.000 2.549 1097 S HA 0.154 4.623 4.470 -0.001 0.000 0.279 1097 S C 0.658 175.395 174.600 0.228 0.000 1.321 1097 S CA -0.007 58.284 58.200 0.153 0.000 1.054 1097 S CB 0.286 63.563 63.200 0.128 0.000 0.899 1097 S HN 0.776 nan 8.310 nan 0.000 0.497 1098 Y N 3.207 123.577 120.300 0.117 0.000 2.315 1098 Y HA -0.121 4.428 4.550 -0.001 0.000 0.288 1098 Y C 2.354 178.321 175.900 0.111 0.000 1.154 1098 Y CA 1.606 59.775 58.100 0.115 0.000 1.229 1098 Y CB -0.782 37.722 38.460 0.074 0.000 0.980 1098 Y HN 0.905 nan 8.280 nan 0.000 0.540 1099 A N -0.679 122.253 122.820 0.187 0.000 1.972 1099 A HA -0.214 4.105 4.320 -0.001 0.000 0.219 1099 A C 2.082 179.706 177.584 0.065 0.000 1.169 1099 A CA 1.489 53.592 52.037 0.110 0.000 0.635 1099 A CB -1.334 17.747 19.000 0.135 0.000 0.810 1099 A HN 0.607 nan 8.150 nan 0.000 0.446 1100 F N 0.467 120.407 119.950 -0.018 0.000 2.259 1100 F HA -0.031 4.495 4.527 -0.001 0.000 0.298 1100 F C 2.124 177.881 175.800 -0.072 0.000 1.088 1100 F CA 1.800 59.785 58.000 -0.026 0.000 1.358 1100 F CB -0.055 38.946 39.000 0.000 0.000 1.040 1100 F HN 0.201 nan 8.300 nan 0.000 0.505 1101 K N 0.515 120.882 120.400 -0.056 0.000 2.032 1101 K HA -0.183 4.136 4.320 -0.001 0.000 0.209 1101 K C 2.115 178.526 176.600 -0.315 0.000 1.048 1101 K CA 1.789 57.949 56.287 -0.212 0.000 0.927 1101 K CB -0.386 31.885 32.500 -0.382 0.000 0.712 1101 K HN 0.363 nan 8.250 nan 0.000 0.441 1102 L N 0.842 121.855 121.223 -0.350 0.000 1.970 1102 L HA -0.238 4.101 4.340 -0.001 0.000 0.212 1102 L C 2.553 179.297 176.870 -0.210 0.000 1.071 1102 L CA 0.846 55.543 54.840 -0.238 0.000 0.751 1102 L CB -0.642 41.330 42.059 -0.144 0.000 0.889 1102 L HN 0.299 nan 8.230 nan 0.000 0.432 1103 L N 0.166 121.245 121.223 -0.240 0.000 2.034 1103 L HA -0.299 4.040 4.340 -0.001 0.000 0.217 1103 L C 2.284 178.970 176.870 -0.307 0.000 1.077 1103 L CA 1.959 56.636 54.840 -0.272 0.000 0.769 1103 L CB -0.553 41.287 42.059 -0.364 0.000 0.890 1103 L HN 0.149 nan 8.230 nan 0.000 0.435 1104 I N -1.243 119.085 120.570 -0.404 0.000 2.286 1104 I HA -0.274 3.895 4.170 -0.001 0.000 0.245 1104 I C 2.376 178.390 176.117 -0.173 0.000 1.104 1104 I CA 1.219 62.341 61.300 -0.297 0.000 1.397 1104 I CB -0.138 37.699 38.000 -0.272 0.000 1.072 1104 I HN 0.435 nan 8.210 nan 0.000 0.417 1105 Q N -0.007 119.701 119.800 -0.153 0.000 2.435 1105 Q HA -0.135 4.205 4.340 -0.001 0.000 0.207 1105 Q C 1.637 177.576 176.000 -0.101 0.000 0.956 1105 Q CA 0.734 56.472 55.803 -0.108 0.000 0.917 1105 Q CB 0.189 28.875 28.738 -0.086 0.000 0.997 1105 Q HN 0.539 nan 8.270 nan 0.000 0.497 1106 E N 0.210 120.342 120.200 -0.113 0.000 2.230 1106 E HA -0.032 4.317 4.350 -0.001 0.000 0.192 1106 E C 1.758 178.306 176.600 -0.088 0.000 0.987 1106 E CA 0.274 56.621 56.400 -0.089 0.000 0.841 1106 E CB 0.277 29.926 29.700 -0.085 0.000 0.783 1106 E HN 0.278 nan 8.360 nan 0.000 0.481 1107 L N 0.205 121.363 121.223 -0.108 0.000 2.095 1107 L HA -0.083 4.256 4.340 -0.001 0.000 0.204 1107 L C 2.463 179.275 176.870 -0.096 0.000 1.080 1107 L CA 0.819 55.602 54.840 -0.095 0.000 0.759 1107 L CB -0.186 41.811 42.059 -0.103 0.000 0.914 1107 L HN 0.197 nan 8.230 nan 0.000 0.439 1108 M N -0.413 119.116 119.600 -0.119 0.000 2.117 1108 M HA -0.165 4.314 4.480 -0.001 0.000 0.262 1108 M C 2.501 178.735 176.300 -0.110 0.000 1.065 1108 M CA 2.023 57.235 55.300 -0.146 0.000 1.114 1108 M CB -0.338 32.149 32.600 -0.189 0.000 1.361 1108 M HN 0.357 nan 8.290 nan 0.000 0.408 1109 S N -0.437 115.211 115.700 -0.086 0.000 2.481 1109 S HA -0.064 4.405 4.470 -0.001 0.000 0.231 1109 S C 1.630 176.198 174.600 -0.054 0.000 0.996 1109 S CA 0.621 58.783 58.200 -0.063 0.000 0.942 1109 S CB -0.361 62.808 63.200 -0.051 0.000 0.768 1109 S HN 0.523 nan 8.310 nan 0.000 0.520 1110 M N 0.794 120.360 119.600 -0.057 0.000 2.453 1110 M HA 0.358 4.838 4.480 -0.001 0.000 0.239 1110 M C -0.852 175.421 176.300 -0.045 0.000 1.151 1110 M CA -0.143 55.130 55.300 -0.046 0.000 0.989 1110 M CB -0.322 32.252 32.600 -0.043 0.000 1.548 1110 M HN 0.203 nan 8.290 nan 0.000 0.479 1111 I N 0.961 121.498 120.570 -0.055 0.000 6.793 1111 I HA -0.274 3.895 4.170 -0.001 0.000 0.126 1111 I C -1.126 174.964 176.117 -0.045 0.000 1.828 1111 I CA 0.839 62.108 61.300 -0.052 0.000 2.046 1111 I CB -1.726 36.252 38.000 -0.036 0.000 3.541 1111 I HN 0.247 nan 8.210 nan 0.000 0.172 1112 I N 2.385 122.921 120.570 -0.057 0.000 2.542 1112 I HA 0.211 4.381 4.170 -0.001 0.000 0.278 1112 I C 0.529 176.620 176.117 -0.044 0.000 1.069 1112 I CA -0.611 60.665 61.300 -0.040 0.000 1.100 1112 I CB 1.573 39.550 38.000 -0.037 0.000 1.204 1112 I HN 0.387 nan 8.210 nan 0.000 0.470 1113 S N 6.277 121.965 115.700 -0.020 0.000 2.611 1113 S HA 0.227 4.697 4.470 -0.001 0.000 0.317 1113 S C -2.258 172.386 174.600 0.074 0.000 1.208 1113 S CA -0.762 57.448 58.200 0.017 0.000 1.217 1113 S CB -0.451 62.798 63.200 0.082 0.000 1.085 1113 S HN 0.359 nan 8.310 nan 0.000 0.529 1114 P HA 0.347 nan 4.420 nan 0.000 0.253 1114 P C -0.714 176.730 177.300 0.239 0.000 1.667 1114 P CA -0.625 62.546 63.100 0.118 0.000 1.118 1114 P CB 0.403 32.129 31.700 0.042 0.000 1.595 1115 R N 3.116 123.735 120.500 0.198 0.000 2.267 1115 R HA 0.351 4.691 4.340 -0.001 0.000 0.319 1115 R C -0.253 176.113 176.300 0.110 0.000 1.067 1115 R CA -0.748 55.441 56.100 0.148 0.000 0.936 1115 R CB 0.240 30.587 30.300 0.079 0.000 1.006 1115 R HN 0.357 nan 8.270 nan 0.000 0.452 1116 L N 4.480 125.764 121.223 0.101 0.000 2.257 1116 L HA 0.297 4.636 4.340 -0.001 0.000 0.290 1116 L C 0.328 177.217 176.870 0.032 0.000 1.044 1116 L CA -0.242 54.655 54.840 0.094 0.000 0.810 1116 L CB 0.688 42.827 42.059 0.134 0.000 1.193 1116 L HN 0.316 nan 8.230 nan 0.000 0.425 1117 I N 4.444 125.022 120.570 0.013 0.000 2.441 1117 I HA 0.166 4.336 4.170 -0.001 0.000 0.287 1117 I C 0.424 176.507 176.117 -0.057 0.000 1.049 1117 I CA -0.438 60.849 61.300 -0.022 0.000 1.381 1117 I CB 0.916 38.903 38.000 -0.022 0.000 1.409 1117 I HN 0.521 nan 8.210 nan 0.000 0.523 1118 L N 4.426 125.595 121.223 -0.091 0.000 2.452 1118 L HA 0.567 4.907 4.340 -0.001 0.000 0.267 1118 L C -0.028 176.745 176.870 -0.162 0.000 1.188 1118 L CA -0.103 54.634 54.840 -0.172 0.000 0.821 1118 L CB 0.728 42.631 42.059 -0.261 0.000 1.102 1118 L HN 0.676 nan 8.230 nan 0.000 0.470 1119 E N 0.552 120.635 120.200 -0.194 0.000 2.375 1119 E HA 0.170 4.520 4.350 -0.001 0.000 0.280 1119 E C -1.613 174.887 176.600 -0.168 0.000 0.972 1119 E CA -0.830 55.479 56.400 -0.152 0.000 0.782 1119 E CB 1.928 31.564 29.700 -0.105 0.000 1.229 1119 E HN 0.866 nan 8.360 nan 0.000 0.439 1120 D N 1.241 121.561 120.400 -0.132 0.000 2.406 1120 D HA -0.050 4.589 4.640 -0.001 0.000 0.234 1120 D C 1.207 177.448 176.300 -0.097 0.000 1.196 1120 D CA 0.456 54.386 54.000 -0.116 0.000 0.881 1120 D CB 0.826 41.578 40.800 -0.079 0.000 1.205 1120 D HN 0.411 nan 8.370 nan 0.000 0.453 1121 R N 1.525 121.976 120.500 -0.081 0.000 2.117 1121 R HA -0.092 4.247 4.340 -0.001 0.000 0.243 1121 R C 0.425 176.696 176.300 -0.047 0.000 1.143 1121 R CA 0.735 56.800 56.100 -0.058 0.000 0.968 1121 R CB -0.198 30.081 30.300 -0.036 0.000 0.863 1121 R HN 0.341 nan 8.270 nan 0.000 0.444 1122 V N 0.000 119.888 119.914 -0.044 0.000 2.409 1122 V HA 0.000 4.119 4.120 -0.001 0.000 0.244 1122 V CA 0.000 62.278 62.300 -0.036 0.000 1.235 1122 V CB 0.000 31.805 31.823 -0.031 0.000 1.184 1122 V HN 0.000 nan 8.190 nan 0.000 0.556