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_B 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 0.000 176.883 176.870 0.022 0.000 1.165 8 L CA 0.000 54.847 54.840 0.012 0.000 0.813 8 L CB 0.000 42.062 42.059 0.006 0.000 0.961 9 S N -1.635 114.072 115.700 0.011 0.000 3.461 9 S HA -0.044 4.411 4.470 -0.024 0.000 0.820 9 S C 0.361 174.983 174.600 0.037 0.000 1.142 9 S CA 0.512 58.719 58.200 0.011 0.000 1.078 9 S CB -0.760 62.456 63.200 0.026 0.000 0.674 9 S HN 0.972 nan 8.310 nan 0.000 0.333 10 I N 1.908 122.488 120.570 0.018 0.000 2.512 10 I HA 0.074 4.230 4.170 -0.024 0.000 0.247 10 I C 2.025 178.261 176.117 0.198 0.000 1.094 10 I CA 0.617 61.969 61.300 0.087 0.000 1.427 10 I CB -0.420 37.555 38.000 -0.042 0.000 1.149 10 I HN 0.693 nan 8.210 nan 0.000 0.438 11 D N 0.903 121.393 120.400 0.151 0.000 2.158 11 D HA -0.252 4.374 4.640 -0.024 0.000 0.197 11 D C 2.008 178.453 176.300 0.241 0.000 0.995 11 D CA 1.295 55.430 54.000 0.226 0.000 0.846 11 D CB -0.075 40.820 40.800 0.158 0.000 0.941 11 D HN 0.347 nan 8.370 nan 0.000 0.456 12 E N 0.064 120.353 120.200 0.149 0.000 2.107 12 E HA -0.156 4.180 4.350 -0.024 0.000 0.191 12 E C 2.062 178.726 176.600 0.106 0.000 0.982 12 E CA 0.587 57.047 56.400 0.101 0.000 0.809 12 E CB 0.149 29.888 29.700 0.066 0.000 0.756 12 E HN 0.297 nan 8.360 nan 0.000 0.459 13 R N 0.188 120.783 120.500 0.159 0.000 2.193 13 R HA -0.097 4.229 4.340 -0.024 0.000 0.213 13 R C 2.318 178.748 176.300 0.216 0.000 1.055 13 R CA 0.904 57.113 56.100 0.182 0.000 0.995 13 R CB -0.771 29.655 30.300 0.210 0.000 0.893 13 R HN 0.374 nan 8.270 nan 0.000 0.459 14 W N 2.525 123.842 121.300 0.028 0.000 2.418 14 W HA -0.027 4.618 4.660 -0.025 0.000 0.292 14 W C 0.809 177.252 176.519 -0.126 0.000 1.213 14 W CA 0.867 58.114 57.345 -0.162 0.000 1.283 14 W CB 0.070 29.455 29.460 -0.124 0.000 1.119 14 W HN 0.041 nan 8.180 nan 0.000 0.542 15 K N 0.371 120.621 120.400 -0.251 0.000 2.211 15 K HA -0.143 4.163 4.320 -0.024 0.000 0.203 15 K C 1.820 178.253 176.600 -0.277 0.000 1.050 15 K CA 1.482 57.561 56.287 -0.346 0.000 0.945 15 K CB -0.283 32.155 32.500 -0.103 0.000 0.732 15 K HN 0.031 nan 8.250 nan 0.000 0.451 16 V N 1.715 121.545 119.914 -0.140 0.000 2.307 16 V HA -0.234 3.872 4.120 -0.024 0.000 0.245 16 V C 2.134 178.230 176.094 0.003 0.000 1.045 16 V CA 1.595 63.907 62.300 0.019 0.000 1.024 16 V CB -0.329 31.536 31.823 0.069 0.000 0.651 16 V HN 0.349 nan 8.190 nan 0.000 0.449 17 I N -0.170 120.238 120.570 -0.269 0.000 2.394 17 I HA -0.203 3.953 4.170 -0.024 0.000 0.251 17 I C 2.488 178.176 176.117 -0.716 0.000 1.136 17 I CA 1.518 62.500 61.300 -0.530 0.000 1.425 17 I CB -0.042 37.648 38.000 -0.518 0.000 1.079 17 I HN 0.418 nan 8.210 nan 0.000 0.425 18 E N 0.746 120.438 120.200 -0.847 0.000 2.268 18 E HA -0.197 4.138 4.350 -0.024 0.000 0.195 18 E C 2.031 178.446 176.600 -0.308 0.000 0.995 18 E CA 0.969 56.981 56.400 -0.647 0.000 0.836 18 E CB 0.032 29.192 29.700 -0.901 0.000 0.763 18 E HN 0.636 nan 8.360 nan 0.000 0.491 19 A N -0.113 122.561 122.820 -0.243 0.000 2.067 19 A HA -0.127 4.179 4.320 -0.024 0.000 0.217 19 A C 1.812 179.249 177.584 -0.246 0.000 1.156 19 A CA 0.578 52.563 52.037 -0.088 0.000 0.683 19 A CB -0.516 18.552 19.000 0.113 0.000 0.808 19 A HN 0.486 nan 8.150 nan 0.000 0.455 20 Y N -0.460 119.317 120.300 -0.872 0.000 2.181 20 Y HA -0.181 4.355 4.550 -0.024 0.000 0.288 20 Y C 1.668 177.112 175.900 -0.760 0.000 1.146 20 Y CA 1.885 59.131 58.100 -1.423 0.000 1.164 20 Y CB -0.259 37.083 38.460 -1.863 0.000 0.982 20 Y HN 0.296 nan 8.280 nan 0.000 0.515 21 F N 0.253 120.089 119.950 -0.190 0.000 2.335 21 F HA 0.048 4.560 4.527 -0.024 0.000 0.296 21 F C 2.360 178.071 175.800 -0.149 0.000 1.091 21 F CA 1.095 59.021 58.000 -0.124 0.000 1.399 21 F CB -0.690 38.255 39.000 -0.092 0.000 1.067 21 F HN -0.079 nan 8.300 nan 0.000 0.520 22 K N -0.413 119.983 120.400 -0.006 0.000 2.280 22 K HA -0.112 4.193 4.320 -0.024 0.000 0.202 22 K C 2.000 178.566 176.600 -0.056 0.000 1.047 22 K CA 1.119 57.393 56.287 -0.022 0.000 0.942 22 K CB -0.005 32.474 32.500 -0.035 0.000 0.739 22 K HN 0.238 nan 8.250 nan 0.000 0.457 23 S N -0.422 115.195 115.700 -0.138 0.000 2.836 23 S HA 0.120 4.575 4.470 -0.024 0.000 0.164 23 S C 0.994 175.486 174.600 -0.181 0.000 0.714 23 S CA -0.268 57.839 58.200 -0.155 0.000 0.906 23 S CB 0.078 63.165 63.200 -0.188 0.000 0.702 23 S HN 0.072 nan 8.310 nan 0.000 0.571 24 K N 0.616 120.823 120.400 -0.322 0.000 2.401 24 K HA 0.271 4.577 4.320 -0.024 0.000 0.176 24 K C 1.626 178.135 176.600 -0.152 0.000 1.109 24 K CA 0.892 57.027 56.287 -0.254 0.000 1.146 24 K CB -1.434 30.861 32.500 -0.341 0.000 1.600 24 K HN 0.666 nan 8.250 nan 0.000 0.474 25 G N 1.148 109.879 108.800 -0.115 0.000 2.672 25 G HA2 -0.386 3.560 3.960 -0.024 0.000 0.324 25 G HA3 -0.386 3.560 3.960 -0.024 0.000 0.324 25 G C 0.795 175.764 174.900 0.116 0.000 1.286 25 G CA 1.259 46.438 45.100 0.131 0.000 1.004 25 G HN 0.564 nan 8.290 nan 0.000 0.548 26 L N -3.087 118.234 121.223 0.163 0.000 3.905 26 L HA -0.357 3.969 4.340 -0.024 0.000 0.053 26 L C 1.938 178.823 176.870 0.025 0.000 4.067 26 L CA 4.833 59.706 54.840 0.055 0.000 0.968 26 L CB -1.513 40.568 42.059 0.038 0.000 3.354 26 L HN 1.693 nan 8.230 nan 0.000 0.831 27 V N -1.769 118.154 119.914 0.015 0.000 3.157 27 V HA 0.131 4.236 4.120 -0.024 0.000 0.253 27 V C 1.166 177.259 176.094 -0.001 0.000 1.637 27 V CA 0.483 62.783 62.300 0.000 0.000 1.058 27 V CB 0.073 31.887 31.823 -0.016 0.000 0.917 27 V HN 0.628 nan 8.190 nan 0.000 0.417 28 R N 1.641 122.139 120.500 -0.002 0.000 4.792 28 R HA 0.017 4.343 4.340 -0.024 0.000 0.186 28 R C 1.105 177.387 176.300 -0.030 0.000 2.341 28 R CA 0.340 56.435 56.100 -0.009 0.000 1.881 28 R CB -0.424 29.871 30.300 -0.009 0.000 1.203 28 R HN 0.415 nan 8.270 nan 0.000 0.732 29 Q N 0.261 120.017 119.800 -0.073 0.000 2.187 29 Q HA -0.097 4.228 4.340 -0.024 0.000 0.199 29 Q C 1.214 177.079 176.000 -0.225 0.000 0.957 29 Q CA 1.269 56.974 55.803 -0.164 0.000 0.857 29 Q CB -0.014 28.575 28.738 -0.249 0.000 0.929 29 Q HN 0.685 nan 8.270 nan 0.000 0.453 30 H N 0.126 119.193 119.070 -0.006 0.000 2.431 30 H HA 0.145 4.687 4.556 -0.024 0.000 0.295 30 H C 2.263 177.583 175.328 -0.014 0.000 1.038 30 H CA 0.292 56.330 56.048 -0.018 0.000 1.360 30 H CB 0.159 29.881 29.762 -0.068 0.000 1.433 30 H HN 0.100 nan 8.280 nan 0.000 0.536 31 L N 0.793 122.058 121.223 0.069 0.000 1.989 31 L HA -0.210 4.115 4.340 -0.024 0.000 0.211 31 L C 1.961 178.889 176.870 0.096 0.000 1.071 31 L CA 1.585 56.455 54.840 0.051 0.000 0.749 31 L CB -0.361 41.702 42.059 0.006 0.000 0.890 31 L HN 0.201 nan 8.230 nan 0.000 0.431 32 D N -0.998 119.434 120.400 0.054 0.000 2.178 32 D HA -0.166 4.460 4.640 -0.024 0.000 0.201 32 D C 2.301 178.645 176.300 0.074 0.000 0.980 32 D CA 1.322 55.349 54.000 0.044 0.000 0.842 32 D CB 0.058 40.861 40.800 0.006 0.000 0.948 32 D HN 0.160 nan 8.370 nan 0.000 0.472 33 S N -0.798 114.965 115.700 0.104 0.000 2.387 33 S HA -0.163 4.293 4.470 -0.024 0.000 0.226 33 S C 1.896 176.623 174.600 0.211 0.000 1.026 33 S CA 0.389 58.672 58.200 0.138 0.000 0.972 33 S CB -0.186 63.102 63.200 0.147 0.000 0.814 33 S HN 0.307 nan 8.310 nan 0.000 0.477 34 Y N 2.470 122.826 120.300 0.093 0.000 2.286 34 Y HA 0.073 4.608 4.550 -0.024 0.000 0.293 34 Y C 1.969 177.965 175.900 0.160 0.000 1.124 34 Y CA 1.548 59.725 58.100 0.128 0.000 1.178 34 Y CB -0.448 38.018 38.460 0.010 0.000 1.010 34 Y HN 0.275 nan 8.280 nan 0.000 0.536 35 N N 0.553 119.311 118.700 0.096 0.000 2.166 35 N HA -0.208 4.518 4.740 -0.024 0.000 0.186 35 N C 1.674 177.158 175.510 -0.045 0.000 1.019 35 N CA 1.555 54.596 53.050 -0.016 0.000 0.856 35 N CB -0.643 37.863 38.487 0.031 0.000 0.993 35 N HN 0.579 nan 8.380 nan 0.000 0.426 36 D N -0.078 120.331 120.400 0.014 0.000 2.144 36 D HA -0.157 4.469 4.640 -0.024 0.000 0.200 36 D C 1.762 178.062 176.300 -0.000 0.000 0.978 36 D CA 0.506 54.510 54.000 0.006 0.000 0.833 36 D CB -0.005 40.819 40.800 0.039 0.000 0.961 36 D HN 0.219 nan 8.370 nan 0.000 0.470 37 F N 1.075 120.960 119.950 -0.109 0.000 2.163 37 F HA -0.095 4.418 4.527 -0.024 0.000 0.297 37 F C 2.044 177.707 175.800 -0.228 0.000 1.094 37 F CA 0.899 58.821 58.000 -0.129 0.000 1.290 37 F CB -0.533 38.433 39.000 -0.057 0.000 1.017 37 F HN -0.166 nan 8.300 nan 0.000 0.483 38 V N 1.034 120.675 119.914 -0.455 0.000 2.970 38 V HA -0.111 3.995 4.120 -0.024 0.000 0.260 38 V C 1.967 177.813 176.094 -0.413 0.000 1.100 38 V CA 1.640 63.590 62.300 -0.585 0.000 1.122 38 V CB -0.523 30.999 31.823 -0.501 0.000 0.721 38 V HN 0.410 nan 8.190 nan 0.000 0.483 39 R N -0.970 119.352 120.500 -0.297 0.000 2.107 39 R HA 0.189 4.515 4.340 -0.024 0.000 0.195 39 R C 2.003 178.186 176.300 -0.196 0.000 1.214 39 R CA 0.797 56.774 56.100 -0.205 0.000 1.129 39 R CB -0.538 29.683 30.300 -0.130 0.000 1.045 39 R HN 0.333 nan 8.270 nan 0.000 0.489 40 N N 1.106 119.711 118.700 -0.158 0.000 2.171 40 N HA -0.051 4.674 4.740 -0.024 0.000 0.184 40 N C 0.901 176.321 175.510 -0.151 0.000 1.021 40 N CA 1.110 54.088 53.050 -0.120 0.000 0.854 40 N CB -0.014 38.433 38.487 -0.067 0.000 0.994 40 N HN -0.035 nan 8.380 nan 0.000 0.426 41 K N -0.132 120.146 120.400 -0.203 0.000 2.863 41 K HA 0.223 4.528 4.320 -0.024 0.000 0.304 41 K C 0.943 177.271 176.600 -0.454 0.000 1.015 41 K CA -0.348 55.798 56.287 -0.235 0.000 1.093 41 K CB -0.090 32.353 32.500 -0.096 0.000 1.345 41 K HN -0.079 nan 8.250 nan 0.000 0.500 42 L N -0.549 120.334 121.223 -0.566 0.000 3.419 42 L HA -0.475 3.851 4.340 -0.024 0.000 0.211 42 L C 1.827 178.489 176.870 -0.346 0.000 4.425 42 L CA 2.849 57.286 54.840 -0.671 0.000 0.584 42 L CB -1.507 39.902 42.059 -1.084 0.000 3.534 42 L HN 0.827 nan 8.230 nan 0.000 0.751 43 Q N -0.097 119.522 119.800 -0.302 0.000 2.124 43 Q HA -0.178 4.147 4.340 -0.024 0.000 0.202 43 Q C 1.829 177.748 176.000 -0.134 0.000 0.977 43 Q CA 2.416 58.105 55.803 -0.190 0.000 0.850 43 Q CB -0.232 28.411 28.738 -0.158 0.000 0.901 43 Q HN 0.738 nan 8.270 nan 0.000 0.429 44 E N -0.195 119.929 120.200 -0.126 0.000 2.110 44 E HA -0.148 4.188 4.350 -0.024 0.000 0.193 44 E C 1.919 178.498 176.600 -0.035 0.000 0.988 44 E CA 1.365 57.725 56.400 -0.067 0.000 0.804 44 E CB -0.164 29.505 29.700 -0.052 0.000 0.745 44 E HN 0.508 nan 8.360 nan 0.000 0.458 45 I N 1.084 121.632 120.570 -0.036 0.000 2.315 45 I HA -0.179 3.977 4.170 -0.024 0.000 0.248 45 I C 1.273 177.371 176.117 -0.032 0.000 1.117 45 I CA 0.436 61.753 61.300 0.027 0.000 1.404 45 I CB -0.082 38.005 38.000 0.145 0.000 1.071 45 I HN 0.073 nan 8.210 nan 0.000 0.419 46 I N 2.309 122.793 120.570 -0.144 0.000 3.136 46 I HA -0.059 4.096 4.170 -0.024 0.000 0.286 46 I C -0.324 175.765 176.117 -0.047 0.000 1.091 46 I CA 1.021 62.183 61.300 -0.230 0.000 1.768 46 I CB -1.796 36.029 38.000 -0.291 0.000 1.240 46 I HN 0.197 nan 8.210 nan 0.000 0.738 47 D N 1.510 121.923 120.400 0.022 0.000 2.513 47 D HA 0.152 4.778 4.640 -0.024 0.000 0.295 47 D C 1.128 177.475 176.300 0.078 0.000 1.202 47 D CA 0.080 54.106 54.000 0.043 0.000 0.849 47 D CB 0.815 41.627 40.800 0.019 0.000 1.116 47 D HN 0.530 nan 8.370 nan 0.000 0.502 48 E N -0.285 119.987 120.200 0.120 0.000 2.536 48 E HA 0.060 4.396 4.350 -0.024 0.000 0.220 48 E C 0.849 177.509 176.600 0.099 0.000 0.876 48 E CA -0.039 56.429 56.400 0.112 0.000 1.190 48 E CB 0.596 30.381 29.700 0.143 0.000 1.191 48 E HN -0.061 nan 8.360 nan 0.000 0.557 49 Q N 0.357 120.225 119.800 0.112 0.000 1.863 49 Q HA -0.268 4.058 4.340 -0.024 0.000 0.194 49 Q C 0.947 176.999 176.000 0.085 0.000 2.887 49 Q CA 2.197 58.054 55.803 0.090 0.000 0.316 49 Q CB -2.041 26.732 28.738 0.058 0.000 0.508 49 Q HN 0.511 nan 8.270 nan 0.000 0.415 50 G N -0.588 108.249 108.800 0.062 0.000 2.651 50 G HA2 0.272 4.217 3.960 -0.024 0.000 0.260 50 G HA3 0.272 4.217 3.960 -0.024 0.000 0.260 50 G C 0.266 175.191 174.900 0.042 0.000 1.216 50 G CA 0.156 45.284 45.100 0.047 0.000 0.913 50 G HN 0.314 nan 8.290 nan 0.000 0.535 51 E N -0.803 119.412 120.200 0.026 0.000 2.474 51 E HA 0.081 4.416 4.350 -0.024 0.000 0.215 51 E C 1.284 177.884 176.600 -0.000 0.000 0.867 51 E CA -0.088 56.317 56.400 0.008 0.000 1.135 51 E CB 0.434 30.134 29.700 0.001 0.000 1.147 51 E HN 0.596 nan 8.360 nan 0.000 0.534 52 I N 1.484 122.057 120.570 0.006 0.000 6.250 52 I HA -0.219 3.937 4.170 -0.024 0.000 0.126 52 I C -2.151 173.966 176.117 -0.001 0.000 1.820 52 I CA -0.188 61.114 61.300 0.004 0.000 2.062 52 I CB -1.766 36.238 38.000 0.006 0.000 3.453 52 I HN 0.050 nan 8.210 nan 0.000 0.177 53 P HA 0.275 nan 4.420 nan 0.000 0.276 53 P C 1.124 178.422 177.300 -0.004 0.000 1.252 53 P CA -0.209 62.887 63.100 -0.007 0.000 0.802 53 P CB 0.642 32.332 31.700 -0.016 0.000 1.035 54 T N -1.629 112.923 114.554 -0.003 0.000 2.770 54 T HA -0.068 4.268 4.350 -0.024 0.000 0.263 54 T C 0.518 175.215 174.700 -0.004 0.000 1.039 54 T CA 0.777 62.877 62.100 -0.001 0.000 1.142 54 T CB -0.532 68.337 68.868 0.003 0.000 0.868 54 T HN 0.462 nan 8.240 nan 0.000 0.435 55 E N 1.719 121.913 120.200 -0.008 0.000 2.562 55 E HA 0.083 4.418 4.350 -0.024 0.000 0.241 55 E C -0.390 176.204 176.600 -0.009 0.000 1.136 55 E CA 0.088 56.481 56.400 -0.011 0.000 0.952 55 E CB -0.568 29.121 29.700 -0.019 0.000 0.975 55 E HN 0.411 nan 8.360 nan 0.000 0.494 56 I N 3.789 124.356 120.570 -0.006 0.000 8.033 56 I HA -0.252 3.903 4.170 -0.024 0.000 0.126 56 I C -1.795 174.321 176.117 -0.001 0.000 1.834 56 I CA -0.514 60.784 61.300 -0.003 0.000 2.071 56 I CB -0.350 37.648 38.000 -0.004 0.000 3.728 56 I HN 0.482 nan 8.210 nan 0.000 0.180 57 P HA -0.182 nan 4.420 nan 0.000 0.219 57 P C 1.350 178.652 177.300 0.004 0.000 1.144 57 P CA 1.866 64.967 63.100 0.003 0.000 0.806 57 P CB 0.156 31.858 31.700 0.004 0.000 0.771 58 G N -0.850 107.952 108.800 0.003 0.000 3.440 58 G HA2 0.139 4.085 3.960 -0.024 0.000 0.263 58 G HA3 0.139 4.085 3.960 -0.024 0.000 0.263 58 G C -0.005 174.897 174.900 0.004 0.000 1.236 58 G CA -0.050 45.053 45.100 0.004 0.000 0.927 58 G HN 0.222 nan 8.290 nan 0.000 0.530 59 L N 0.714 121.939 121.223 0.002 0.000 2.371 59 L HA 0.581 4.907 4.340 -0.024 0.000 0.262 59 L C -0.683 176.189 176.870 0.003 0.000 1.054 59 L CA -0.048 54.792 54.840 0.001 0.000 0.924 59 L CB 0.186 42.242 42.059 -0.004 0.000 1.295 59 L HN 0.001 nan 8.230 nan 0.000 0.441 60 K N 2.185 122.590 120.400 0.008 0.000 2.331 60 K HA 0.778 5.084 4.320 -0.024 0.000 0.238 60 K C -1.265 175.348 176.600 0.021 0.000 1.058 60 K CA -0.899 55.396 56.287 0.014 0.000 0.871 60 K CB 2.748 35.259 32.500 0.018 0.000 1.292 60 K HN 0.201 nan 8.250 nan 0.000 0.470 61 V N 1.657 121.590 119.914 0.031 0.000 2.569 61 V HA 0.364 4.469 4.120 -0.024 0.000 0.301 61 V C -0.647 175.483 176.094 0.060 0.000 1.044 61 V CA -0.906 61.422 62.300 0.046 0.000 0.874 61 V CB 1.556 33.413 31.823 0.056 0.000 1.002 61 V HN 0.592 nan 8.190 nan 0.000 0.424 62 R N 4.145 124.679 120.500 0.056 0.000 2.308 62 R HA 0.605 4.930 4.340 -0.024 0.000 0.305 62 R C -1.054 175.290 176.300 0.073 0.000 1.053 62 R CA -0.491 55.644 56.100 0.058 0.000 0.957 62 R CB 1.197 31.523 30.300 0.042 0.000 1.022 62 R HN 0.571 nan 8.270 nan 0.000 0.461 63 L N 2.438 123.711 121.223 0.085 0.000 2.282 63 L HA 0.382 4.708 4.340 -0.024 0.000 0.288 63 L C 1.159 178.062 176.870 0.056 0.000 1.033 63 L CA -0.513 54.383 54.840 0.094 0.000 0.807 63 L CB 1.537 43.678 42.059 0.137 0.000 1.209 63 L HN 0.743 nan 8.230 nan 0.000 0.423 64 G N 3.125 111.951 108.800 0.045 0.000 3.286 64 G HA2 0.318 4.264 3.960 -0.024 0.000 0.173 64 G HA3 0.318 4.264 3.960 -0.024 0.000 0.173 64 G C -0.261 174.641 174.900 0.004 0.000 1.704 64 G CA -0.472 44.641 45.100 0.023 0.000 1.041 64 G HN 0.494 nan 8.290 nan 0.000 0.561 65 K N -0.612 119.786 120.400 -0.004 0.000 2.118 65 K HA 0.550 4.855 4.320 -0.024 0.000 0.254 65 K C -1.148 175.441 176.600 -0.018 0.000 0.961 65 K CA -0.494 55.778 56.287 -0.024 0.000 0.876 65 K CB 2.154 34.637 32.500 -0.029 0.000 1.077 65 K HN 0.165 nan 8.250 nan 0.000 0.440 66 I N 1.859 122.403 120.570 -0.044 0.000 2.498 66 I HA 0.316 4.471 4.170 -0.024 0.000 0.301 66 I C -0.078 176.025 176.117 -0.023 0.000 0.984 66 I CA -0.501 60.781 61.300 -0.030 0.000 1.204 66 I CB 1.269 39.221 38.000 -0.080 0.000 1.362 66 I HN 0.523 nan 8.210 nan 0.000 0.471 67 R N 4.934 125.457 120.500 0.037 0.000 2.561 67 R HA 0.767 5.092 4.340 -0.024 0.000 0.297 67 R C -1.577 174.785 176.300 0.102 0.000 0.969 67 R CA -0.717 55.414 56.100 0.052 0.000 0.879 67 R CB 1.289 31.626 30.300 0.062 0.000 1.178 67 R HN 0.376 nan 8.270 nan 0.000 0.445 68 I N 3.147 123.742 120.570 0.042 0.000 2.304 68 I HA 0.307 4.463 4.170 -0.024 0.000 0.291 68 I C 0.914 177.083 176.117 0.086 0.000 1.018 68 I CA 0.164 61.486 61.300 0.038 0.000 1.260 68 I CB 1.720 39.709 38.000 -0.019 0.000 1.390 68 I HN 0.923 nan 8.210 nan 0.000 0.475 69 G N 5.759 114.650 108.800 0.152 0.000 2.485 69 G HA2 0.293 4.238 3.960 -0.024 0.000 0.260 69 G HA3 0.293 4.238 3.960 -0.024 0.000 0.260 69 G C -0.137 174.814 174.900 0.085 0.000 1.459 69 G CA -0.573 44.624 45.100 0.162 0.000 1.060 69 G HN 0.481 nan 8.290 nan 0.000 0.546 70 K N 0.949 121.395 120.400 0.076 0.000 2.087 70 K HA 0.293 4.598 4.320 -0.024 0.000 0.255 70 K C -2.247 174.349 176.600 -0.007 0.000 0.988 70 K CA -1.603 54.708 56.287 0.039 0.000 0.915 70 K CB 1.512 34.040 32.500 0.048 0.000 1.043 70 K HN 0.197 nan 8.250 nan 0.000 0.457 71 P HA -0.050 nan 4.420 nan 0.000 0.257 71 P C -1.070 176.143 177.300 -0.146 0.000 1.359 71 P CA 0.531 63.496 63.100 -0.226 0.000 1.239 71 P CB 0.006 31.350 31.700 -0.593 0.000 1.549 72 R N 2.073 122.538 120.500 -0.058 0.000 2.310 72 R HA 0.431 4.757 4.340 -0.024 0.000 0.324 72 R C -0.418 175.887 176.300 0.008 0.000 0.955 72 R CA -0.983 55.115 56.100 -0.003 0.000 0.830 72 R CB 1.996 32.333 30.300 0.062 0.000 1.154 72 R HN 0.211 nan 8.270 nan 0.000 0.458 73 V N 5.108 125.026 119.914 0.006 0.000 2.383 73 V HA 0.271 4.376 4.120 -0.024 0.000 0.275 73 V C 0.466 176.584 176.094 0.040 0.000 1.036 73 V CA -0.428 61.887 62.300 0.024 0.000 0.889 73 V CB 0.729 32.565 31.823 0.021 0.000 0.985 73 V HN 0.719 nan 8.190 nan 0.000 0.459 74 R N 4.186 124.714 120.500 0.047 0.000 3.073 74 R HA 0.295 4.620 4.340 -0.024 0.000 0.290 74 R C -0.213 176.109 176.300 0.038 0.000 1.130 74 R CA 0.231 56.357 56.100 0.043 0.000 1.186 74 R CB 0.287 30.606 30.300 0.032 0.000 1.166 74 R HN 0.854 nan 8.270 nan 0.000 0.563 75 E N -0.197 120.024 120.200 0.034 0.000 2.647 75 E HA 0.071 4.407 4.350 -0.024 0.000 0.387 75 E C -1.595 175.023 176.600 0.030 0.000 0.996 75 E CA -0.083 56.337 56.400 0.034 0.000 0.735 75 E CB 0.707 30.428 29.700 0.034 0.000 1.559 75 E HN 0.499 nan 8.360 nan 0.000 0.385 76 S N 2.339 118.056 115.700 0.029 0.000 2.558 76 S HA -0.024 4.431 4.470 -0.024 0.000 0.293 76 S C -0.051 174.565 174.600 0.026 0.000 1.292 76 S CA 0.075 58.291 58.200 0.026 0.000 1.063 76 S CB 0.510 63.727 63.200 0.028 0.000 0.831 76 S HN 0.460 nan 8.310 nan 0.000 0.499 77 D N 1.433 121.847 120.400 0.023 0.000 2.264 77 D HA 0.142 4.767 4.640 -0.024 0.000 0.250 77 D C 0.515 176.827 176.300 0.020 0.000 1.113 77 D CA -0.262 53.751 54.000 0.020 0.000 0.871 77 D CB 0.390 41.201 40.800 0.018 0.000 1.167 77 D HN 0.500 nan 8.370 nan 0.000 0.447 78 R N 1.320 121.830 120.500 0.017 0.000 3.591 78 R HA -0.193 4.132 4.340 -0.024 0.000 0.268 78 R C 0.516 176.830 176.300 0.024 0.000 1.102 78 R CA 0.843 56.953 56.100 0.017 0.000 0.732 78 R CB -1.536 28.773 30.300 0.015 0.000 1.117 78 R HN 0.456 nan 8.270 nan 0.000 0.472 79 G N 0.430 109.246 108.800 0.027 0.000 2.537 79 G HA2 0.582 4.527 3.960 -0.024 0.000 0.323 79 G HA3 0.582 4.527 3.960 -0.024 0.000 0.323 79 G C -0.812 174.111 174.900 0.039 0.000 1.207 79 G CA -0.538 44.581 45.100 0.032 0.000 0.976 79 G HN 0.204 nan 8.290 nan 0.000 0.487 80 E N -0.324 119.902 120.200 0.044 0.000 2.388 80 E HA 0.647 4.982 4.350 -0.024 0.000 0.289 80 E C -1.065 175.563 176.600 0.047 0.000 0.944 80 E CA -0.950 55.480 56.400 0.051 0.000 0.792 80 E CB 1.864 31.606 29.700 0.070 0.000 1.239 80 E HN 0.300 nan 8.360 nan 0.000 0.412 81 R N 1.493 122.018 120.500 0.042 0.000 2.740 81 R HA 0.441 4.766 4.340 -0.024 0.000 0.273 81 R C -0.719 175.600 176.300 0.032 0.000 0.998 81 R CA -0.900 55.223 56.100 0.038 0.000 0.900 81 R CB 1.677 31.998 30.300 0.036 0.000 1.223 81 R HN 0.756 nan 8.270 nan 0.000 0.466 82 E N 2.255 122.475 120.200 0.033 0.000 2.366 82 E HA 0.338 4.673 4.350 -0.024 0.000 0.266 82 E C 0.090 176.709 176.600 0.032 0.000 1.051 82 E CA -0.281 56.133 56.400 0.022 0.000 0.884 82 E CB 1.164 30.887 29.700 0.038 0.000 1.006 82 E HN 0.391 nan 8.360 nan 0.000 0.417 83 I N -1.174 119.407 120.570 0.019 0.000 2.465 83 I HA 0.442 4.598 4.170 -0.024 0.000 0.291 83 I C -0.274 175.942 176.117 0.165 0.000 1.014 83 I CA -0.784 60.559 61.300 0.072 0.000 1.093 83 I CB 2.092 40.136 38.000 0.073 0.000 1.267 83 I HN 0.276 nan 8.210 nan 0.000 0.431 84 S N 5.562 121.347 115.700 0.143 0.000 2.576 84 S HA 0.330 4.786 4.470 -0.024 0.000 0.276 84 S C -1.482 173.214 174.600 0.161 0.000 1.339 84 S CA -1.002 57.276 58.200 0.131 0.000 1.039 84 S CB 0.927 64.149 63.200 0.036 0.000 0.902 84 S HN 0.619 nan 8.310 nan 0.000 0.516 85 P HA -0.138 nan 4.420 nan 0.000 0.217 85 P C 1.508 178.789 177.300 -0.032 0.000 1.148 85 P CA 1.210 64.226 63.100 -0.141 0.000 0.828 85 P CB 0.078 31.575 31.700 -0.339 0.000 0.783 86 M N -0.864 118.723 119.600 -0.020 0.000 2.175 86 M HA -0.133 4.332 4.480 -0.024 0.000 0.264 86 M C 1.792 178.105 176.300 0.022 0.000 1.063 86 M CA 1.754 57.049 55.300 -0.008 0.000 1.119 86 M CB -1.378 31.207 32.600 -0.025 0.000 1.377 86 M HN 0.089 nan 8.290 nan 0.000 0.415 87 E N -0.072 120.156 120.200 0.046 0.000 2.208 87 E HA -0.060 4.275 4.350 -0.024 0.000 0.193 87 E C 2.026 178.676 176.600 0.083 0.000 0.988 87 E CA 1.028 57.463 56.400 0.059 0.000 0.828 87 E CB -0.101 29.637 29.700 0.064 0.000 0.763 87 E HN 0.481 nan 8.360 nan 0.000 0.478 88 A N 1.442 124.337 122.820 0.124 0.000 1.929 88 A HA -0.123 4.182 4.320 -0.024 0.000 0.216 88 A C 2.049 179.694 177.584 0.102 0.000 1.176 88 A CA 0.993 53.121 52.037 0.153 0.000 0.628 88 A CB -0.205 18.965 19.000 0.284 0.000 0.816 88 A HN 0.040 nan 8.150 nan 0.000 0.444 89 R N -0.589 119.953 120.500 0.070 0.000 2.115 89 R HA 0.080 4.405 4.340 -0.024 0.000 0.226 89 R C 1.805 178.128 176.300 0.038 0.000 1.100 89 R CA 1.111 57.241 56.100 0.049 0.000 0.980 89 R CB -0.275 30.042 30.300 0.030 0.000 0.875 89 R HN 0.502 nan 8.270 nan 0.000 0.445 90 L N -0.449 120.794 121.223 0.034 0.000 2.202 90 L HA 0.041 4.367 4.340 -0.024 0.000 0.205 90 L C 2.145 179.036 176.870 0.034 0.000 1.083 90 L CA 0.667 55.523 54.840 0.026 0.000 0.790 90 L CB -0.271 41.797 42.059 0.016 0.000 0.942 90 L HN 0.048 nan 8.230 nan 0.000 0.452 91 R N 0.546 121.073 120.500 0.044 0.000 2.307 91 R HA 0.001 4.326 4.340 -0.024 0.000 0.199 91 R C -0.073 176.259 176.300 0.053 0.000 1.000 91 R CA 0.035 56.163 56.100 0.047 0.000 1.023 91 R CB -0.152 30.178 30.300 0.050 0.000 0.908 91 R HN 0.329 nan 8.270 nan 0.000 0.473 92 N N 0.340 119.074 118.700 0.056 0.000 2.740 92 N HA -0.167 4.558 4.740 -0.024 0.000 0.248 92 N C -1.198 174.358 175.510 0.078 0.000 1.062 92 N CA 0.710 53.798 53.050 0.064 0.000 0.704 92 N CB -1.011 37.509 38.487 0.055 0.000 0.968 92 N HN 0.029 nan 8.380 nan 0.000 0.547 93 L N -0.298 120.977 121.223 0.087 0.000 2.365 93 L HA 0.527 4.852 4.340 -0.024 0.000 0.267 93 L C 0.935 177.876 176.870 0.119 0.000 1.033 93 L CA -0.245 54.651 54.840 0.095 0.000 0.802 93 L CB 1.039 43.149 42.059 0.086 0.000 1.267 93 L HN 0.034 nan 8.230 nan 0.000 0.457 94 T N 0.309 114.932 114.554 0.115 0.000 2.767 94 T HA 0.190 4.525 4.350 -0.024 0.000 0.288 94 T C -0.576 174.216 174.700 0.154 0.000 0.963 94 T CA 0.004 62.188 62.100 0.139 0.000 1.019 94 T CB 0.069 69.004 68.868 0.110 0.000 0.923 94 T HN 0.255 nan 8.240 nan 0.000 0.468 95 Y N 3.527 123.864 120.300 0.062 0.000 2.573 95 Y HA 0.431 4.967 4.550 -0.024 0.000 0.346 95 Y C 0.175 176.115 175.900 0.067 0.000 1.198 95 Y CA -0.501 57.630 58.100 0.053 0.000 1.627 95 Y CB -0.620 37.861 38.460 0.034 0.000 1.457 95 Y HN 0.779 nan 8.280 nan 0.000 0.483 96 A N 3.741 126.515 122.820 -0.076 0.000 2.475 96 A HA 0.917 5.223 4.320 -0.024 0.000 0.301 96 A C -1.384 176.142 177.584 -0.097 0.000 1.059 96 A CA -0.371 51.650 52.037 -0.026 0.000 0.710 96 A CB 0.991 20.011 19.000 0.032 0.000 1.288 96 A HN 0.770 nan 8.150 nan 0.000 0.408 97 A N 2.421 125.207 122.820 -0.057 0.000 2.350 97 A HA 0.907 5.212 4.320 -0.024 0.000 0.324 97 A C -2.886 174.634 177.584 -0.105 0.000 1.118 97 A CA -1.982 50.016 52.037 -0.064 0.000 0.783 97 A CB 0.897 19.877 19.000 -0.034 0.000 1.236 97 A HN 0.558 nan 8.150 nan 0.000 0.457 98 P HA 0.186 nan 4.420 nan 0.000 0.271 98 P C -0.880 176.070 177.300 -0.583 0.000 1.216 98 P CA 0.263 63.069 63.100 -0.489 0.000 0.771 98 P CB 0.519 31.890 31.700 -0.548 0.000 0.864 99 L N 4.137 124.939 121.223 -0.700 0.000 2.270 99 L HA 0.280 4.606 4.340 -0.024 0.000 0.286 99 L C -0.007 176.516 176.870 -0.578 0.000 1.059 99 L CA -0.467 54.092 54.840 -0.469 0.000 0.839 99 L CB -0.116 41.786 42.059 -0.261 0.000 1.221 99 L HN 0.338 nan 8.230 nan 0.000 0.431 100 W N 5.339 126.546 121.300 -0.155 0.000 2.332 100 W HA 0.422 5.067 4.660 -0.024 0.000 0.306 100 W C -0.225 176.252 176.519 -0.069 0.000 1.149 100 W CA -0.461 56.826 57.345 -0.097 0.000 1.271 100 W CB 0.860 30.291 29.460 -0.047 0.000 1.243 100 W HN 0.228 nan 8.180 nan 0.000 0.459 101 L N 4.514 125.846 121.223 0.181 0.000 2.325 101 L HA 0.521 4.847 4.340 -0.024 0.000 0.281 101 L C -0.348 176.611 176.870 0.150 0.000 1.004 101 L CA -0.246 54.659 54.840 0.109 0.000 0.823 101 L CB 1.528 43.611 42.059 0.040 0.000 1.236 101 L HN 0.288 nan 8.230 nan 0.000 0.415 102 T N 6.780 121.399 114.554 0.108 0.000 2.761 102 T HA 0.450 4.786 4.350 -0.024 0.000 0.296 102 T C 0.258 175.012 174.700 0.091 0.000 0.934 102 T CA -0.033 62.123 62.100 0.093 0.000 1.091 102 T CB 0.556 69.457 68.868 0.055 0.000 0.896 102 T HN 0.530 nan 8.240 nan 0.000 0.515 103 M N 3.739 123.398 119.600 0.099 0.000 2.528 103 M HA 0.537 5.003 4.480 -0.024 0.000 0.321 103 M C -0.692 175.649 176.300 0.068 0.000 1.153 103 M CA -0.972 54.385 55.300 0.095 0.000 0.951 103 M CB 1.944 34.616 32.600 0.121 0.000 1.705 103 M HN 0.319 nan 8.290 nan 0.000 0.451 104 I N 3.002 123.607 120.570 0.058 0.000 2.502 104 I HA 0.354 4.509 4.170 -0.024 0.000 0.276 104 I C -2.501 173.640 176.117 0.039 0.000 1.057 104 I CA -2.285 59.041 61.300 0.042 0.000 1.163 104 I CB 0.378 38.398 38.000 0.034 0.000 1.288 104 I HN 0.229 nan 8.210 nan 0.000 0.479 105 P HA 0.125 nan 4.420 nan 0.000 0.271 105 P C -0.178 177.136 177.300 0.022 0.000 1.233 105 P CA 0.059 63.177 63.100 0.030 0.000 0.764 105 P CB 0.796 32.512 31.700 0.027 0.000 0.825 106 V N 4.444 124.370 119.914 0.020 0.000 2.394 106 V HA 0.219 4.325 4.120 -0.024 0.000 0.282 106 V C 0.939 177.040 176.094 0.011 0.000 1.031 106 V CA -0.026 62.283 62.300 0.016 0.000 0.881 106 V CB 1.132 32.965 31.823 0.017 0.000 0.982 106 V HN 0.505 nan 8.190 nan 0.000 0.451 107 E N 3.740 123.945 120.200 0.008 0.000 2.989 107 E HA 0.261 4.597 4.350 -0.024 0.000 0.207 107 E C -0.364 176.238 176.600 0.004 0.000 0.989 107 E CA -0.165 56.238 56.400 0.005 0.000 1.186 107 E CB 0.276 29.978 29.700 0.003 0.000 1.141 107 E HN 0.679 nan 8.360 nan 0.000 0.454 108 N N 1.688 120.392 118.700 0.006 0.000 5.098 108 N HA -0.124 4.602 4.740 -0.024 0.000 0.297 108 N C -0.380 175.134 175.510 0.006 0.000 0.803 108 N CA 0.578 53.631 53.050 0.005 0.000 0.668 108 N CB -1.420 37.070 38.487 0.004 0.000 1.733 108 N HN 0.312 nan 8.380 nan 0.000 0.688 109 N N 0.595 119.299 118.700 0.007 0.000 2.713 109 N HA -0.220 4.505 4.740 -0.024 0.000 0.251 109 N C 0.386 175.900 175.510 0.007 0.000 1.117 109 N CA 1.753 54.807 53.050 0.007 0.000 0.770 109 N CB -0.929 37.562 38.487 0.006 0.000 1.137 109 N HN 0.515 nan 8.380 nan 0.000 0.566 110 I N -0.475 120.099 120.570 0.007 0.000 2.731 110 I HA 0.122 4.277 4.170 -0.024 0.000 0.260 110 I C 0.871 176.993 176.117 0.008 0.000 1.138 110 I CA 1.155 62.459 61.300 0.006 0.000 1.461 110 I CB -1.268 36.735 38.000 0.005 0.000 1.128 110 I HN 0.396 nan 8.210 nan 0.000 0.438 111 E N -0.410 119.796 120.200 0.010 0.000 9.128 111 E HA -0.125 4.211 4.350 -0.024 0.000 0.466 111 E C -0.064 176.543 176.600 0.012 0.000 1.362 111 E CA 0.645 57.052 56.400 0.012 0.000 2.366 111 E CB -0.906 28.801 29.700 0.011 0.000 1.025 111 E HN 0.366 nan 8.360 nan 0.000 0.333 112 A N 0.431 123.259 122.820 0.014 0.000 2.043 112 A HA 0.618 4.923 4.320 -0.024 0.000 0.183 112 A C -0.703 176.889 177.584 0.013 0.000 1.568 112 A CA 0.400 52.445 52.037 0.013 0.000 1.796 112 A CB 0.781 19.790 19.000 0.016 0.000 1.908 112 A HN 0.481 nan 8.150 nan 0.000 0.851 113 E N -1.245 118.965 120.200 0.017 0.000 2.449 113 E HA 0.296 4.632 4.350 -0.024 0.000 0.278 113 E C -2.281 174.331 176.600 0.020 0.000 1.059 113 E CA -1.256 55.153 56.400 0.014 0.000 0.854 113 E CB 1.876 31.582 29.700 0.009 0.000 1.465 113 E HN 0.204 nan 8.360 nan 0.000 0.462 114 P HA -0.183 nan 4.420 nan 0.000 0.215 114 P C -0.099 177.223 177.300 0.036 0.000 1.157 114 P CA 1.425 64.536 63.100 0.018 0.000 0.868 114 P CB 0.204 31.904 31.700 0.001 0.000 0.788 115 E N 0.284 120.505 120.200 0.035 0.000 2.291 115 E HA -0.155 4.181 4.350 -0.024 0.000 0.181 115 E C -0.655 176.001 176.600 0.093 0.000 1.480 115 E CA 0.268 56.704 56.400 0.060 0.000 0.674 115 E CB -1.909 27.832 29.700 0.069 0.000 1.108 115 E HN 0.362 nan 8.360 nan 0.000 0.357 116 E N 1.323 121.567 120.200 0.073 0.000 1.909 116 E HA 0.014 4.350 4.350 -0.024 0.000 0.253 116 E C 0.057 176.848 176.600 0.318 0.000 1.268 116 E CA 0.223 56.700 56.400 0.130 0.000 0.999 116 E CB 0.189 29.863 29.700 -0.044 0.000 1.072 116 E HN 0.140 nan 8.360 nan 0.000 0.428 117 V N 3.744 123.848 119.914 0.318 0.000 2.583 117 V HA -0.038 4.067 4.120 -0.024 0.000 0.287 117 V C 0.003 176.348 176.094 0.418 0.000 1.051 117 V CA -0.504 62.004 62.300 0.346 0.000 1.010 117 V CB 0.064 32.044 31.823 0.263 0.000 0.988 117 V HN 0.457 nan 8.190 nan 0.000 0.478 118 Y N 5.241 125.671 120.300 0.217 0.000 2.365 118 Y HA 0.358 4.893 4.550 -0.024 0.000 0.340 118 Y C 0.702 176.504 175.900 -0.162 0.000 1.016 118 Y CA -0.800 57.189 58.100 -0.184 0.000 1.196 118 Y CB 0.778 39.054 38.460 -0.307 0.000 1.167 118 Y HN 0.488 nan 8.280 nan 0.000 0.509 119 I N 4.305 124.624 120.570 -0.419 0.000 3.081 119 I HA 0.261 4.417 4.170 -0.024 0.000 0.274 119 I C 1.136 177.051 176.117 -0.336 0.000 1.178 119 I CA 1.407 62.479 61.300 -0.381 0.000 1.460 119 I CB -0.218 37.531 38.000 -0.420 0.000 1.137 119 I HN 0.874 nan 8.210 nan 0.000 0.443 120 G N 0.128 108.544 108.800 -0.641 0.000 2.404 120 G HA2 0.061 4.007 3.960 -0.024 0.000 0.253 120 G HA3 0.061 4.007 3.960 -0.024 0.000 0.253 120 G C -1.755 172.839 174.900 -0.509 0.000 1.253 120 G CA -0.615 44.306 45.100 -0.298 0.000 0.917 120 G HN 0.009 nan 8.290 nan 0.000 0.480 121 D N 0.039 120.327 120.400 -0.185 0.000 2.481 121 D HA 0.533 5.159 4.640 -0.024 0.000 0.244 121 D C -1.041 175.240 176.300 -0.031 0.000 1.057 121 D CA -0.332 53.589 54.000 -0.131 0.000 0.848 121 D CB 2.908 43.688 40.800 -0.034 0.000 1.388 121 D HN 0.385 nan 8.370 nan 0.000 0.475 122 L N 2.693 123.922 121.223 0.010 0.000 2.305 122 L HA 0.421 4.747 4.340 -0.024 0.000 0.284 122 L C -2.748 174.230 176.870 0.180 0.000 1.013 122 L CA -1.622 53.304 54.840 0.143 0.000 0.819 122 L CB 1.613 43.767 42.059 0.159 0.000 1.227 122 L HN -0.014 nan 8.230 nan 0.000 0.417 123 P HA 0.112 nan 4.420 nan 0.000 0.267 123 P C -0.892 176.580 177.300 0.287 0.000 1.209 123 P CA 0.147 63.359 63.100 0.187 0.000 0.763 123 P CB 0.279 32.013 31.700 0.057 0.000 0.816 124 I N 4.325 125.096 120.570 0.336 0.000 2.331 124 I HA 0.294 4.449 4.170 -0.024 0.000 0.292 124 I C 0.732 176.947 176.117 0.164 0.000 0.998 124 I CA -0.747 60.761 61.300 0.348 0.000 1.267 124 I CB 0.773 38.968 38.000 0.326 0.000 1.386 124 I HN 0.398 nan 8.210 nan 0.000 0.476 125 M N 5.713 125.107 119.600 -0.343 0.000 2.219 125 M HA 0.155 4.621 4.480 -0.024 0.000 0.353 125 M C -0.528 175.451 176.300 -0.534 0.000 1.304 125 M CA -0.542 54.164 55.300 -0.990 0.000 1.115 125 M CB 0.513 32.099 32.600 -1.690 0.000 1.664 125 M HN 0.276 nan 8.290 nan 0.000 0.459 126 L N 6.187 127.005 121.223 -0.675 0.000 2.483 126 L HA 0.024 4.350 4.340 -0.024 0.000 0.276 126 L C 0.974 177.622 176.870 -0.370 0.000 1.213 126 L CA 0.955 55.462 54.840 -0.556 0.000 0.843 126 L CB 0.078 41.635 42.059 -0.837 0.000 1.107 126 L HN 0.762 nan 8.230 nan 0.000 0.487 127 K N -0.615 119.658 120.400 -0.213 0.000 3.193 127 K HA -0.209 4.096 4.320 -0.024 0.000 0.294 127 K C 0.251 176.814 176.600 -0.062 0.000 1.185 127 K CA 0.911 57.130 56.287 -0.112 0.000 0.866 127 K CB -1.345 31.088 32.500 -0.111 0.000 1.227 127 K HN 0.840 nan 8.250 nan 0.000 0.467 128 S N -0.972 114.706 115.700 -0.037 0.000 2.681 128 S HA 0.607 5.062 4.470 -0.024 0.000 0.270 128 S C 1.597 176.251 174.600 0.091 0.000 1.209 128 S CA -0.363 57.878 58.200 0.068 0.000 0.988 128 S CB 1.759 65.104 63.200 0.241 0.000 1.006 128 S HN 0.230 nan 8.310 nan 0.000 0.558 129 A N 0.716 123.590 122.820 0.090 0.000 1.892 129 A HA -0.121 4.185 4.320 -0.024 0.000 0.218 129 A C 2.023 179.643 177.584 0.060 0.000 1.188 129 A CA 1.888 53.956 52.037 0.052 0.000 0.631 129 A CB -1.120 17.892 19.000 0.019 0.000 0.822 129 A HN 0.920 nan 8.150 nan 0.000 0.447 130 I N 0.119 120.735 120.570 0.077 0.000 2.676 130 I HA -0.037 4.119 4.170 -0.024 0.000 0.259 130 I C 0.397 176.583 176.117 0.115 0.000 1.194 130 I CA 0.300 61.645 61.300 0.075 0.000 1.473 130 I CB -0.379 37.652 38.000 0.052 0.000 1.096 130 I HN 0.278 nan 8.210 nan 0.000 0.443 131 D N 0.722 121.210 120.400 0.145 0.000 2.401 131 D HA 0.043 4.668 4.640 -0.024 0.000 0.254 131 D C -1.611 174.783 176.300 0.157 0.000 1.192 131 D CA -1.811 52.289 54.000 0.166 0.000 0.885 131 D CB 1.229 42.111 40.800 0.136 0.000 1.147 131 D HN 0.040 nan 8.370 nan 0.000 0.478 132 P HA -0.179 nan 4.420 nan 0.000 0.216 132 P C 1.423 178.952 177.300 0.382 0.000 1.153 132 P CA 0.738 63.986 63.100 0.247 0.000 0.858 132 P CB 0.109 31.976 31.700 0.279 0.000 0.789 133 I N -0.789 119.940 120.570 0.264 0.000 2.623 133 I HA -0.185 3.971 4.170 -0.024 0.000 0.261 133 I C 2.243 178.486 176.117 0.210 0.000 1.204 133 I CA 1.529 62.889 61.300 0.100 0.000 1.444 133 I CB -1.859 36.038 38.000 -0.170 0.000 1.094 133 I HN 0.041 nan 8.210 nan 0.000 0.451 134 S N 0.121 115.920 115.700 0.164 0.000 2.399 134 S HA -0.171 4.285 4.470 -0.024 0.000 0.231 134 S C 1.856 176.529 174.600 0.123 0.000 1.022 134 S CA 1.187 59.451 58.200 0.108 0.000 0.983 134 S CB 0.054 63.300 63.200 0.075 0.000 0.803 134 S HN 0.466 nan 8.310 nan 0.000 0.480 135 Q N -0.538 119.353 119.800 0.151 0.000 2.354 135 Q HA 0.108 4.434 4.340 -0.024 0.000 0.203 135 Q C -0.249 175.795 176.000 0.073 0.000 0.933 135 Q CA 0.154 55.998 55.803 0.069 0.000 0.901 135 Q CB -0.115 28.620 28.738 -0.005 0.000 1.007 135 Q HN 0.589 nan 8.270 nan 0.000 0.495 136 Y N 1.168 121.472 120.300 0.007 0.000 2.788 136 Y HA -0.097 4.438 4.550 -0.024 0.000 0.341 136 Y C 1.337 177.237 175.900 0.001 0.000 1.258 136 Y CA 0.737 58.840 58.100 0.005 0.000 1.503 136 Y CB 0.262 38.725 38.460 0.006 0.000 1.325 136 Y HN -0.169 nan 8.280 nan 0.000 0.614 137 T N 2.693 117.329 114.554 0.136 0.000 2.788 137 T HA 0.089 4.424 4.350 -0.024 0.000 0.287 137 T C 1.189 175.942 174.700 0.089 0.000 1.007 137 T CA -0.568 61.581 62.100 0.082 0.000 1.005 137 T CB 0.423 69.316 68.868 0.042 0.000 1.012 137 T HN 0.732 nan 8.240 nan 0.000 0.530 138 L N 1.572 122.825 121.223 0.050 0.000 2.131 138 L HA 0.012 4.337 4.340 -0.024 0.000 0.210 138 L C 1.713 178.599 176.870 0.027 0.000 1.092 138 L CA 1.838 56.698 54.840 0.033 0.000 0.759 138 L CB -0.244 41.825 42.059 0.017 0.000 0.903 138 L HN 0.638 nan 8.230 nan 0.000 0.435 139 D N -0.347 120.071 120.400 0.030 0.000 2.277 139 D HA -0.118 4.508 4.640 -0.024 0.000 0.208 139 D C 2.043 178.369 176.300 0.044 0.000 0.962 139 D CA 0.800 54.814 54.000 0.024 0.000 0.865 139 D CB 0.107 40.918 40.800 0.017 0.000 0.939 139 D HN 0.323 nan 8.370 nan 0.000 0.510 140 K N -0.107 120.346 120.400 0.088 0.000 2.103 140 K HA -0.032 4.274 4.320 -0.024 0.000 0.204 140 K C 1.621 178.288 176.600 0.112 0.000 1.052 140 K CA 0.385 56.769 56.287 0.162 0.000 0.945 140 K CB 0.071 32.753 32.500 0.304 0.000 0.722 140 K HN 0.033 nan 8.250 nan 0.000 0.443 141 L N 1.109 122.360 121.223 0.046 0.000 2.141 141 L HA -0.170 4.156 4.340 -0.024 0.000 0.209 141 L C 1.990 178.827 176.870 -0.057 0.000 1.094 141 L CA 1.261 56.061 54.840 -0.065 0.000 0.763 141 L CB -0.419 41.602 42.059 -0.064 0.000 0.908 141 L HN 0.166 nan 8.230 nan 0.000 0.437 142 I N -0.655 119.899 120.570 -0.026 0.000 2.202 142 I HA -0.220 3.935 4.170 -0.024 0.000 0.242 142 I C 2.363 178.463 176.117 -0.029 0.000 1.091 142 I CA 1.130 62.409 61.300 -0.035 0.000 1.368 142 I CB -1.210 36.774 38.000 -0.028 0.000 1.058 142 I HN 0.366 nan 8.210 nan 0.000 0.410 143 E N 0.695 120.893 120.200 -0.004 0.000 2.118 143 E HA -0.216 4.119 4.350 -0.024 0.000 0.195 143 E C 2.297 178.897 176.600 -0.000 0.000 0.992 143 E CA 1.040 57.445 56.400 0.009 0.000 0.804 143 E CB 0.006 29.731 29.700 0.042 0.000 0.741 143 E HN 0.310 nan 8.360 nan 0.000 0.458 144 I N -0.411 120.146 120.570 -0.022 0.000 2.179 144 I HA -0.145 4.010 4.170 -0.024 0.000 0.242 144 I C 1.736 177.816 176.117 -0.062 0.000 1.088 144 I CA 1.877 63.138 61.300 -0.064 0.000 1.357 144 I CB -0.749 37.136 38.000 -0.192 0.000 1.051 144 I HN 0.356 nan 8.210 nan 0.000 0.409 145 G N 1.338 110.096 108.800 -0.070 0.000 2.157 145 G HA2 -0.099 3.847 3.960 -0.024 0.000 0.114 145 G HA3 -0.099 3.847 3.960 -0.024 0.000 0.114 145 G C -0.012 174.839 174.900 -0.081 0.000 1.041 145 G CA 0.093 45.152 45.100 -0.069 0.000 0.714 145 G HN 0.509 nan 8.290 nan 0.000 0.492 146 E N 0.066 120.215 120.200 -0.085 0.000 2.429 146 E HA 0.589 4.925 4.350 -0.024 0.000 0.276 146 E C -1.257 175.300 176.600 -0.072 0.000 0.953 146 E CA -0.940 55.413 56.400 -0.079 0.000 0.787 146 E CB 1.207 30.862 29.700 -0.074 0.000 1.307 146 E HN 0.055 nan 8.360 nan 0.000 0.458 147 D N 0.947 121.309 120.400 -0.062 0.000 2.350 147 D HA 0.110 4.735 4.640 -0.024 0.000 0.249 147 D C -1.531 174.749 176.300 -0.033 0.000 1.119 147 D CA -2.095 51.869 54.000 -0.061 0.000 0.886 147 D CB 0.780 41.529 40.800 -0.084 0.000 1.195 147 D HN 0.202 nan 8.370 nan 0.000 0.437 148 P HA -0.068 nan 4.420 nan 0.000 0.233 148 P C 0.708 178.018 177.300 0.017 0.000 1.167 148 P CA 0.649 63.742 63.100 -0.012 0.000 0.770 148 P CB 0.335 32.027 31.700 -0.014 0.000 0.837 149 K N -0.254 120.160 120.400 0.023 0.000 2.365 149 K HA -0.001 4.305 4.320 -0.024 0.000 0.197 149 K C 0.932 177.664 176.600 0.220 0.000 1.042 149 K CA -0.055 56.290 56.287 0.096 0.000 0.987 149 K CB -0.148 32.363 32.500 0.018 0.000 0.779 149 K HN 0.150 nan 8.250 nan 0.000 0.484 150 D N 1.592 122.102 120.400 0.183 0.000 2.533 150 D HA -0.051 4.575 4.640 -0.024 0.000 0.236 150 D C -1.570 174.823 176.300 0.154 0.000 1.137 150 D CA -0.955 53.177 54.000 0.220 0.000 0.867 150 D CB 1.311 42.214 40.800 0.172 0.000 1.170 150 D HN 0.020 nan 8.370 nan 0.000 0.474 151 P HA 0.079 nan 4.420 nan 0.000 0.221 151 P C 0.866 178.184 177.300 0.029 0.000 1.155 151 P CA 0.900 64.046 63.100 0.077 0.000 0.812 151 P CB 0.310 32.036 31.700 0.043 0.000 0.801 152 G N -0.682 108.166 108.800 0.080 0.000 2.542 152 G HA2 0.070 4.016 3.960 -0.024 0.000 0.235 152 G HA3 0.070 4.016 3.960 -0.024 0.000 0.235 152 G C 0.663 175.486 174.900 -0.127 0.000 1.286 152 G CA 0.191 45.176 45.100 -0.192 0.000 0.904 152 G HN 0.728 nan 8.290 nan 0.000 0.577 153 G N -2.520 106.055 108.800 -0.374 0.000 2.176 153 G HA2 0.169 4.114 3.960 -0.024 0.000 0.253 153 G HA3 0.169 4.114 3.960 -0.024 0.000 0.253 153 G C 0.318 174.924 174.900 -0.491 0.000 0.979 153 G CA 1.699 46.591 45.100 -0.346 0.000 0.641 153 G HN 2.435 nan 8.290 nan 0.000 0.530 154 Y N -0.816 119.154 120.300 -0.550 0.000 2.391 154 Y HA 0.792 5.328 4.550 -0.024 0.000 0.341 154 Y C 0.016 175.590 175.900 -0.544 0.000 0.965 154 Y CA -3.165 54.620 58.100 -0.525 0.000 1.067 154 Y CB 0.635 38.918 38.460 -0.295 0.000 1.199 154 Y HN 0.017 nan 8.280 nan 0.000 0.450 155 F N 3.049 122.870 119.950 -0.215 0.000 2.399 155 F HA 0.515 5.027 4.527 -0.024 0.000 0.313 155 F C 0.219 175.998 175.800 -0.035 0.000 1.202 155 F CA -0.834 57.046 58.000 -0.199 0.000 1.192 155 F CB 0.574 39.471 39.000 -0.171 0.000 1.256 155 F HN 0.370 nan 8.300 nan 0.000 0.558 156 I N 2.478 123.158 120.570 0.182 0.000 2.382 156 I HA 0.368 4.523 4.170 -0.024 0.000 0.285 156 I C -1.070 175.152 176.117 0.175 0.000 1.007 156 I CA -0.894 60.502 61.300 0.161 0.000 1.142 156 I CB 1.300 39.358 38.000 0.096 0.000 1.289 156 I HN 0.319 nan 8.210 nan 0.000 0.453 157 V N 3.066 123.069 119.914 0.148 0.000 2.448 157 V HA 0.541 4.646 4.120 -0.024 0.000 0.295 157 V C 0.286 176.449 176.094 0.116 0.000 1.025 157 V CA -0.725 61.655 62.300 0.133 0.000 0.859 157 V CB 1.411 33.309 31.823 0.126 0.000 0.988 157 V HN 0.868 nan 8.190 nan 0.000 0.431 158 N N 3.238 122.009 118.700 0.117 0.000 2.714 158 N HA -0.233 4.493 4.740 -0.024 0.000 0.250 158 N C 1.227 176.786 175.510 0.082 0.000 1.117 158 N CA 2.041 55.151 53.050 0.101 0.000 0.719 158 N CB -1.373 37.173 38.487 0.098 0.000 1.081 158 N HN 2.022 nan 8.380 nan 0.000 0.557 159 G N -1.775 107.078 108.800 0.087 0.000 2.317 159 G HA2 -0.308 3.637 3.960 -0.024 0.000 0.227 159 G HA3 -0.308 3.637 3.960 -0.024 0.000 0.227 159 G C 0.056 174.993 174.900 0.063 0.000 1.042 159 G CA 0.650 45.793 45.100 0.071 0.000 0.623 159 G HN 1.303 nan 8.290 nan 0.000 0.509 160 S N 0.681 116.419 115.700 0.062 0.000 2.562 160 S HA 0.620 5.075 4.470 -0.024 0.000 0.275 160 S C -0.164 174.480 174.600 0.072 0.000 1.281 160 S CA -0.297 57.933 58.200 0.050 0.000 1.045 160 S CB 1.926 65.147 63.200 0.035 0.000 0.962 160 S HN 0.427 nan 8.310 nan 0.000 0.503 161 E N 1.434 121.667 120.200 0.055 0.000 2.104 161 E HA 0.208 4.544 4.350 -0.024 0.000 0.278 161 E C -0.299 176.343 176.600 0.070 0.000 1.127 161 E CA -0.169 56.286 56.400 0.092 0.000 0.897 161 E CB 0.398 30.066 29.700 -0.052 0.000 1.043 161 E HN 0.344 nan 8.360 nan 0.000 0.410 162 R N 2.311 122.895 120.500 0.140 0.000 2.407 162 R HA 0.406 4.731 4.340 -0.024 0.000 0.303 162 R C -1.402 174.979 176.300 0.135 0.000 0.981 162 R CA -0.641 55.526 56.100 0.112 0.000 0.905 162 R CB 1.489 31.868 30.300 0.131 0.000 1.099 162 R HN 0.338 nan 8.270 nan 0.000 0.459 163 V N 6.422 126.341 119.914 0.010 0.000 2.531 163 V HA 0.482 4.587 4.120 -0.024 0.000 0.301 163 V C -0.499 175.539 176.094 -0.094 0.000 1.034 163 V CA -0.859 61.390 62.300 -0.085 0.000 0.865 163 V CB 1.594 33.242 31.823 -0.291 0.000 0.995 163 V HN 0.737 nan 8.190 nan 0.000 0.424 164 I N 7.088 127.620 120.570 -0.064 0.000 2.436 164 I HA 0.235 4.390 4.170 -0.024 0.000 0.289 164 I C 0.129 176.080 176.117 -0.277 0.000 1.083 164 I CA 0.169 61.416 61.300 -0.087 0.000 1.372 164 I CB 1.403 39.418 38.000 0.025 0.000 1.408 164 I HN 0.390 nan 8.210 nan 0.000 0.516 165 V N 6.407 126.271 119.914 -0.084 0.000 2.617 165 V HA 0.229 4.334 4.120 -0.024 0.000 0.298 165 V C 0.575 176.745 176.094 0.127 0.000 1.048 165 V CA -0.273 62.044 62.300 0.027 0.000 0.964 165 V CB 2.075 33.982 31.823 0.141 0.000 1.004 165 V HN 0.818 nan 8.190 nan 0.000 0.466 166 T N 5.534 120.255 114.554 0.279 0.000 2.916 166 T HA 0.243 4.579 4.350 -0.024 0.000 0.303 166 T C -0.050 174.748 174.700 0.163 0.000 1.025 166 T CA -0.315 61.945 62.100 0.266 0.000 1.142 166 T CB 0.473 69.491 68.868 0.250 0.000 0.947 166 T HN 0.769 nan 8.240 nan 0.000 0.544 167 Q N 2.600 122.481 119.800 0.134 0.000 2.293 167 Q HA 0.503 4.828 4.340 -0.024 0.000 0.216 167 Q C -0.533 175.526 176.000 0.098 0.000 1.003 167 Q CA -0.690 55.175 55.803 0.104 0.000 0.995 167 Q CB 0.967 29.758 28.738 0.088 0.000 1.172 167 Q HN 0.863 nan 8.270 nan 0.000 0.518 168 E N 0.771 121.018 120.200 0.079 0.000 2.294 168 E HA 0.253 4.588 4.350 -0.024 0.000 0.272 168 E C -1.466 175.157 176.600 0.039 0.000 0.896 168 E CA -0.295 56.147 56.400 0.071 0.000 0.802 168 E CB 1.066 30.815 29.700 0.082 0.000 1.267 168 E HN 0.342 nan 8.360 nan 0.000 0.406 169 D N 3.280 123.700 120.400 0.033 0.000 2.269 169 D HA 0.277 4.903 4.640 -0.024 0.000 0.244 169 D C -0.240 176.054 176.300 -0.010 0.000 0.992 169 D CA -0.559 53.450 54.000 0.016 0.000 0.894 169 D CB 1.918 42.735 40.800 0.029 0.000 1.248 169 D HN 0.434 nan 8.370 nan 0.000 0.468 170 L N 1.468 122.681 121.223 -0.017 0.000 2.455 170 L HA 0.239 4.565 4.340 -0.024 0.000 0.272 170 L C 0.462 177.327 176.870 -0.008 0.000 1.174 170 L CA -0.152 54.671 54.840 -0.028 0.000 0.869 170 L CB 0.522 42.566 42.059 -0.025 0.000 1.130 170 L HN 0.459 nan 8.230 nan 0.000 0.474 171 A N 7.555 130.372 122.820 -0.005 0.000 2.587 171 A HA 0.246 4.551 4.320 -0.024 0.000 0.233 171 A C -2.169 175.424 177.584 0.014 0.000 1.049 171 A CA -0.744 51.303 52.037 0.016 0.000 0.754 171 A CB -0.757 18.258 19.000 0.026 0.000 0.977 171 A HN 0.584 nan 8.150 nan 0.000 0.509 172 P HA 0.279 nan 4.420 nan 0.000 0.278 172 P C 0.245 177.538 177.300 -0.012 0.000 1.266 172 P CA -0.286 62.812 63.100 -0.003 0.000 0.807 172 P CB 0.720 32.427 31.700 0.011 0.000 1.094 173 N N -1.582 117.054 118.700 -0.106 0.000 3.371 173 N HA -0.213 4.513 4.740 -0.024 0.000 0.225 173 N C 0.518 176.007 175.510 -0.034 0.000 0.158 173 N CA 2.015 54.944 53.050 -0.201 0.000 3.732 173 N CB -1.984 36.526 38.487 0.039 0.000 1.091 173 N HN 0.759 nan 8.380 nan 0.000 0.250 174 R N 2.690 123.254 120.500 0.108 0.000 2.619 174 R HA 0.249 4.575 4.340 -0.024 0.000 0.268 174 R C -0.229 176.160 176.300 0.150 0.000 0.990 174 R CA 0.039 56.254 56.100 0.193 0.000 1.092 174 R CB 0.140 30.538 30.300 0.163 0.000 0.935 174 R HN 0.118 nan 8.270 nan 0.000 0.415 175 V N 5.372 125.390 119.914 0.173 0.000 2.427 175 V HA 0.169 4.274 4.120 -0.024 0.000 0.268 175 V C 0.454 176.573 176.094 0.041 0.000 1.046 175 V CA -0.245 62.109 62.300 0.090 0.000 0.970 175 V CB 0.518 32.352 31.823 0.019 0.000 1.001 175 V HN 0.542 nan 8.190 nan 0.000 0.476 176 L N 6.218 127.459 121.223 0.030 0.000 2.298 176 L HA 0.560 4.886 4.340 -0.024 0.000 0.284 176 L C -0.282 176.594 176.870 0.010 0.000 1.013 176 L CA -0.658 54.191 54.840 0.016 0.000 0.824 176 L CB 1.697 43.763 42.059 0.012 0.000 1.221 176 L HN 0.364 nan 8.230 nan 0.000 0.418 177 V N 1.179 121.096 119.914 0.006 0.000 2.785 177 V HA 0.466 4.571 4.120 -0.024 0.000 0.300 177 V C -0.463 175.640 176.094 0.015 0.000 1.062 177 V CA -0.326 61.981 62.300 0.011 0.000 1.029 177 V CB 1.875 33.705 31.823 0.012 0.000 1.024 177 V HN 0.697 nan 8.190 nan 0.000 0.477 178 D N 0.091 120.501 120.400 0.016 0.000 2.753 178 D HA 0.426 5.051 4.640 -0.024 0.000 0.224 178 D C -1.011 175.275 176.300 -0.022 0.000 1.213 178 D CA -0.292 53.708 54.000 0.000 0.000 0.833 178 D CB 2.359 43.156 40.800 -0.005 0.000 1.607 178 D HN 0.541 nan 8.370 nan 0.000 0.463 179 T N 1.587 116.105 114.554 -0.060 0.000 2.753 179 T HA 0.602 4.938 4.350 -0.024 0.000 0.297 179 T C 0.500 175.116 174.700 -0.139 0.000 0.981 179 T CA -0.630 61.374 62.100 -0.160 0.000 0.956 179 T CB 1.185 69.948 68.868 -0.176 0.000 0.936 179 T HN 0.401 nan 8.240 nan 0.000 0.463 180 G N 2.564 111.273 108.800 -0.151 0.000 4.699 180 G HA2 0.220 4.166 3.960 -0.024 0.000 0.308 180 G HA3 0.220 4.166 3.960 -0.024 0.000 0.308 180 G C 0.324 175.159 174.900 -0.108 0.000 1.399 180 G CA -0.690 44.351 45.100 -0.099 0.000 1.221 180 G HN 0.579 nan 8.290 nan 0.000 0.596 181 K N 0.986 121.305 120.400 -0.135 0.000 3.233 181 K HA 0.093 4.399 4.320 -0.024 0.000 0.283 181 K C 1.321 177.878 176.600 -0.071 0.000 1.209 181 K CA -0.168 56.048 56.287 -0.118 0.000 1.197 181 K CB 0.168 32.581 32.500 -0.145 0.000 1.431 181 K HN 0.240 nan 8.250 nan 0.000 0.326 182 T N -0.443 114.079 114.554 -0.054 0.000 2.812 182 T HA -0.035 4.301 4.350 -0.024 0.000 0.264 182 T C 1.229 175.911 174.700 -0.030 0.000 1.042 182 T CA 0.996 63.075 62.100 -0.035 0.000 1.140 182 T CB 0.097 68.949 68.868 -0.026 0.000 0.870 182 T HN 0.567 nan 8.240 nan 0.000 0.445 183 G N 1.269 110.052 108.800 -0.029 0.000 2.556 183 G HA2 0.274 4.220 3.960 -0.024 0.000 0.231 183 G HA3 0.274 4.220 3.960 -0.024 0.000 0.231 183 G C -0.093 174.799 174.900 -0.013 0.000 1.687 183 G CA -0.092 44.996 45.100 -0.020 0.000 0.917 183 G HN 0.801 nan 8.290 nan 0.000 0.492 184 S N -1.265 114.427 115.700 -0.014 0.000 2.819 184 S HA 0.605 5.060 4.470 -0.024 0.000 0.299 184 S C 0.906 175.506 174.600 -0.001 0.000 1.192 184 S CA -0.197 57.999 58.200 -0.007 0.000 0.847 184 S CB 0.950 64.144 63.200 -0.010 0.000 1.224 184 S HN -0.026 nan 8.310 nan 0.000 0.537 185 N N 0.543 119.247 118.700 0.005 0.000 2.149 185 N HA 0.073 4.799 4.740 -0.024 0.000 0.188 185 N C 0.330 175.849 175.510 0.016 0.000 1.019 185 N CA 1.154 54.215 53.050 0.018 0.000 0.857 185 N CB -0.533 37.967 38.487 0.021 0.000 0.997 185 N HN 0.580 nan 8.380 nan 0.000 0.426 186 I N 0.885 121.456 120.570 0.000 0.000 2.452 186 I HA 0.044 4.200 4.170 -0.024 0.000 0.287 186 I C 0.849 176.950 176.117 -0.027 0.000 1.079 186 I CA 0.513 61.806 61.300 -0.010 0.000 1.387 186 I CB 0.625 38.615 38.000 -0.017 0.000 1.404 186 I HN 0.038 nan 8.210 nan 0.000 0.522 187 T N 4.495 119.040 114.554 -0.016 0.000 3.114 187 T HA 0.163 4.499 4.350 -0.024 0.000 0.240 187 T C 0.525 175.072 174.700 -0.255 0.000 0.983 187 T CA 0.501 62.553 62.100 -0.080 0.000 1.151 187 T CB 0.268 69.191 68.868 0.092 0.000 0.974 187 T HN 0.518 nan 8.240 nan 0.000 0.442 188 H N 0.533 119.586 119.070 -0.027 0.000 2.572 188 H HA 0.648 5.189 4.556 -0.025 0.000 0.359 188 H C -0.792 174.492 175.328 -0.073 0.000 1.134 188 H CA -0.244 55.781 56.048 -0.039 0.000 1.187 188 H CB 2.218 31.976 29.762 -0.006 0.000 1.597 188 H HN 0.133 nan 8.280 nan 0.000 0.524 189 T N 0.769 115.350 114.554 0.046 0.000 2.883 189 T HA 0.671 5.006 4.350 -0.024 0.000 0.301 189 T C -1.448 173.260 174.700 0.013 0.000 1.158 189 T CA -0.543 61.561 62.100 0.006 0.000 1.007 189 T CB 1.587 70.453 68.868 -0.004 0.000 1.186 189 T HN 0.756 nan 8.240 nan 0.000 0.499 190 A N 2.738 125.565 122.820 0.011 0.000 2.374 190 A HA 0.823 5.129 4.320 -0.024 0.000 0.317 190 A C -0.808 176.797 177.584 0.035 0.000 1.094 190 A CA -0.797 51.251 52.037 0.019 0.000 0.765 190 A CB 1.518 20.526 19.000 0.013 0.000 1.268 190 A HN 0.766 nan 8.150 nan 0.000 0.438 191 K N 2.867 123.287 120.400 0.034 0.000 2.521 191 K HA 0.555 4.861 4.320 -0.024 0.000 0.248 191 K C -1.547 175.077 176.600 0.040 0.000 0.978 191 K CA -0.237 56.073 56.287 0.037 0.000 0.947 191 K CB 0.544 33.059 32.500 0.025 0.000 1.165 191 K HN 0.683 nan 8.250 nan 0.000 0.445 192 I N 5.862 126.461 120.570 0.048 0.000 2.307 192 I HA 0.273 4.428 4.170 -0.024 0.000 0.289 192 I C -0.277 175.822 176.117 -0.030 0.000 1.021 192 I CA -0.890 60.431 61.300 0.035 0.000 1.224 192 I CB 1.032 39.089 38.000 0.095 0.000 1.376 192 I HN 0.386 nan 8.210 nan 0.000 0.470 193 I N 5.929 126.462 120.570 -0.061 0.000 2.328 193 I HA 0.178 4.333 4.170 -0.024 0.000 0.287 193 I C 0.412 176.430 176.117 -0.165 0.000 1.012 193 I CA -0.221 61.033 61.300 -0.076 0.000 1.195 193 I CB 1.292 39.272 38.000 -0.033 0.000 1.350 193 I HN 0.516 nan 8.210 nan 0.000 0.464 194 S N 4.127 119.726 115.700 -0.168 0.000 2.442 194 S HA 0.575 5.030 4.470 -0.024 0.000 0.297 194 S C 0.068 174.644 174.600 -0.038 0.000 1.131 194 S CA -0.666 57.417 58.200 -0.196 0.000 1.092 194 S CB 1.984 65.125 63.200 -0.099 0.000 0.998 194 S HN 0.616 nan 8.310 nan 0.000 0.478 195 S N 3.119 118.816 115.700 -0.005 0.000 2.693 195 S HA 0.879 5.335 4.470 -0.024 0.000 0.276 195 S C 0.009 174.629 174.600 0.033 0.000 1.192 195 S CA 0.271 58.482 58.200 0.019 0.000 0.994 195 S CB 0.282 63.496 63.200 0.023 0.000 1.012 195 S HN 1.314 nan 8.310 nan 0.000 0.550 204 T N 5.455 120.035 114.554 0.043 0.000 2.824 204 T HA 0.804 5.139 4.350 -0.024 0.000 0.282 204 T C -0.277 174.457 174.700 0.057 0.000 0.993 204 T CA -0.406 61.737 62.100 0.072 0.000 0.967 204 T CB 1.886 70.849 68.868 0.158 0.000 0.960 204 T HN 0.598 nan 8.240 nan 0.000 0.441 205 I N 3.091 123.687 120.570 0.043 0.000 2.474 205 I HA 0.276 4.431 4.170 -0.024 0.000 0.287 205 I C 0.576 176.773 176.117 0.134 0.000 1.048 205 I CA 0.057 61.391 61.300 0.056 0.000 1.383 205 I CB 0.521 38.538 38.000 0.029 0.000 1.412 205 I HN 0.447 nan 8.210 nan 0.000 0.531 206 E N 6.998 127.261 120.200 0.105 0.000 2.241 206 E HA 0.523 4.859 4.350 -0.024 0.000 0.263 206 E C -0.883 175.786 176.600 0.115 0.000 0.882 206 E CA -0.768 55.709 56.400 0.128 0.000 0.769 206 E CB 2.251 31.976 29.700 0.042 0.000 1.185 206 E HN 0.483 nan 8.360 nan 0.000 0.415 207 R N 2.115 122.705 120.500 0.149 0.000 2.795 207 R HA 0.631 4.957 4.340 -0.024 0.000 0.275 207 R C -0.311 176.063 176.300 0.124 0.000 0.981 207 R CA -0.923 55.244 56.100 0.112 0.000 0.917 207 R CB 1.754 32.110 30.300 0.094 0.000 1.202 207 R HN 0.312 nan 8.270 nan 0.000 0.469 208 L N 2.765 124.031 121.223 0.072 0.000 2.470 208 L HA 0.367 4.692 4.340 -0.024 0.000 0.253 208 L C 0.069 176.911 176.870 -0.047 0.000 1.163 208 L CA -0.456 54.409 54.840 0.042 0.000 0.932 208 L CB 0.952 43.025 42.059 0.023 0.000 1.213 208 L HN 0.413 nan 8.230 nan 0.000 0.485 209 K N 1.426 121.819 120.400 -0.011 0.000 2.614 209 K HA 0.358 4.663 4.320 -0.024 0.000 0.275 209 K C -0.341 176.155 176.600 -0.174 0.000 1.055 209 K CA -0.247 56.018 56.287 -0.037 0.000 0.961 209 K CB 0.473 32.992 32.500 0.030 0.000 1.220 209 K HN 0.567 nan 8.250 nan 0.000 0.491 210 D N -3.805 116.535 120.400 -0.099 0.000 3.522 210 D HA 0.154 4.779 4.640 -0.024 0.000 0.363 210 D C 0.492 176.771 176.300 -0.035 0.000 1.509 210 D CA 0.159 54.030 54.000 -0.215 0.000 0.907 210 D CB 0.426 40.972 40.800 -0.423 0.000 1.485 210 D HN 0.634 nan 8.370 nan 0.000 0.560 211 G N -1.366 107.399 108.800 -0.058 0.000 2.796 211 G HA2 -0.163 3.782 3.960 -0.024 0.000 0.198 211 G HA3 -0.163 3.782 3.960 -0.024 0.000 0.198 211 G C 0.748 175.639 174.900 -0.015 0.000 1.062 211 G CA 1.066 46.174 45.100 0.013 0.000 0.752 211 G HN 0.794 nan 8.290 nan 0.000 0.487 212 T N -1.278 113.250 114.554 -0.043 0.000 3.254 212 T HA 0.559 4.895 4.350 -0.024 0.000 0.267 212 T C -0.301 174.438 174.700 0.066 0.000 0.946 212 T CA 0.898 62.982 62.100 -0.027 0.000 0.991 212 T CB 1.339 70.191 68.868 -0.026 0.000 1.205 212 T HN 0.937 nan 8.240 nan 0.000 0.494 213 F N 0.604 120.403 119.950 -0.250 0.000 2.579 213 F HA 0.250 4.762 4.527 -0.025 0.000 0.305 213 F C -0.899 174.603 175.800 -0.497 0.000 1.009 213 F CA -0.895 56.946 58.000 -0.265 0.000 0.860 213 F CB 0.330 39.224 39.000 -0.177 0.000 1.779 213 F HN 0.267 nan 8.300 nan 0.000 0.507 214 H N 0.870 120.071 119.070 0.218 0.000 2.984 214 H HA 0.924 5.465 4.556 -0.024 0.000 0.277 214 H C -1.486 173.984 175.328 0.236 0.000 1.502 214 H CA -0.867 55.309 56.048 0.214 0.000 1.195 214 H CB 1.869 31.699 29.762 0.113 0.000 1.866 214 H HN 0.443 nan 8.280 nan 0.000 0.594 215 V N -0.863 119.277 119.914 0.377 0.000 3.076 215 V HA 0.747 4.852 4.120 -0.024 0.000 0.311 215 V C -1.085 175.161 176.094 0.253 0.000 1.346 215 V CA -0.418 62.066 62.300 0.307 0.000 1.056 215 V CB 2.338 34.378 31.823 0.363 0.000 1.093 215 V HN 0.707 nan 8.190 nan 0.000 0.468 216 S N 0.467 116.330 115.700 0.271 0.000 2.533 216 S HA 0.821 5.276 4.470 -0.024 0.000 0.271 216 S C -2.103 172.740 174.600 0.404 0.000 1.143 216 S CA -0.310 58.046 58.200 0.260 0.000 0.891 216 S CB 1.378 64.679 63.200 0.169 0.000 1.105 216 S HN 0.740 nan 8.310 nan 0.000 0.468 217 F N 4.547 124.578 119.950 0.134 0.000 2.651 217 F HA 0.444 4.957 4.527 -0.024 0.000 0.327 217 F C -2.520 173.335 175.800 0.091 0.000 1.133 217 F CA -1.448 56.637 58.000 0.142 0.000 1.076 217 F CB 1.499 40.651 39.000 0.255 0.000 1.315 217 F HN 0.372 nan 8.300 nan 0.000 0.499 218 P HA -0.061 nan 4.420 nan 0.000 0.213 218 P C 1.473 178.568 177.300 -0.342 0.000 1.170 218 P CA 2.572 65.487 63.100 -0.309 0.000 0.893 218 P CB 0.019 31.527 31.700 -0.318 0.000 0.784 219 A N -0.717 121.739 122.820 -0.606 0.000 2.104 219 A HA -0.124 4.181 4.320 -0.024 0.000 0.223 219 A C 1.046 178.544 177.584 -0.143 0.000 1.164 219 A CA 1.446 53.227 52.037 -0.427 0.000 0.659 219 A CB -1.423 17.261 19.000 -0.527 0.000 0.808 219 A HN 0.164 nan 8.150 nan 0.000 0.465 220 V N 2.313 122.219 119.914 -0.014 0.000 2.275 220 V HA 0.258 4.364 4.120 -0.024 0.000 0.272 220 V C -2.437 173.694 176.094 0.061 0.000 1.028 220 V CA -1.873 60.479 62.300 0.088 0.000 0.810 220 V CB 1.023 32.980 31.823 0.224 0.000 1.043 220 V HN 0.247 nan 8.190 nan 0.000 0.453 221 P HA 0.282 nan 4.420 nan 0.000 0.271 221 P C 0.969 178.292 177.300 0.039 0.000 1.216 221 P CA 1.155 64.265 63.100 0.016 0.000 0.776 221 P CB 1.451 33.150 31.700 -0.000 0.000 0.881 222 G N 2.054 110.876 108.800 0.036 0.000 2.345 222 G HA2 -0.238 3.707 3.960 -0.024 0.000 0.218 222 G HA3 -0.238 3.707 3.960 -0.024 0.000 0.218 222 G C 0.004 174.934 174.900 0.051 0.000 1.058 222 G CA 0.499 45.621 45.100 0.038 0.000 0.632 222 G HN 0.991 nan 8.290 nan 0.000 0.508 223 K N -0.661 119.794 120.400 0.091 0.000 6.766 223 K HA -0.024 4.282 4.320 -0.024 0.000 0.584 223 K C -1.319 175.362 176.600 0.134 0.000 2.569 223 K CA 0.923 57.286 56.287 0.127 0.000 2.020 223 K CB -1.034 31.521 32.500 0.091 0.000 2.476 223 K HN 0.907 nan 8.250 nan 0.000 0.221 224 I N 2.391 123.072 120.570 0.185 0.000 2.582 224 I HA 0.388 4.543 4.170 -0.024 0.000 0.292 224 I C -2.188 174.073 176.117 0.240 0.000 1.066 224 I CA -2.476 58.937 61.300 0.188 0.000 1.053 224 I CB 1.419 39.514 38.000 0.160 0.000 1.241 224 I HN 0.603 nan 8.210 nan 0.000 0.421 225 P HA -0.050 nan 4.420 nan 0.000 0.267 225 P C 0.713 178.153 177.300 0.233 0.000 1.195 225 P CA 0.237 63.491 63.100 0.257 0.000 0.773 225 P CB 0.571 32.366 31.700 0.158 0.000 0.837 226 F N 3.767 123.797 119.950 0.134 0.000 2.186 226 F HA -0.136 4.377 4.527 -0.023 0.000 0.299 226 F C 1.950 177.765 175.800 0.024 0.000 1.090 226 F CA 1.365 59.430 58.000 0.107 0.000 1.307 226 F CB -0.726 38.371 39.000 0.162 0.000 1.019 226 F HN 0.091 nan 8.300 nan 0.000 0.489 227 V N 0.967 120.782 119.914 -0.164 0.000 2.490 227 V HA -0.241 3.864 4.120 -0.024 0.000 0.250 227 V C 2.134 178.081 176.094 -0.246 0.000 1.061 227 V CA 2.262 64.384 62.300 -0.297 0.000 1.064 227 V CB -0.446 31.299 31.823 -0.130 0.000 0.670 227 V HN 0.435 nan 8.190 nan 0.000 0.461 228 I N -0.567 119.922 120.570 -0.135 0.000 2.286 228 I HA -0.176 3.979 4.170 -0.024 0.000 0.245 228 I C 2.341 178.383 176.117 -0.125 0.000 1.104 228 I CA 1.400 62.642 61.300 -0.098 0.000 1.397 228 I CB -0.318 37.666 38.000 -0.027 0.000 1.072 228 I HN 0.243 nan 8.210 nan 0.000 0.417 229 L N -0.152 120.987 121.223 -0.140 0.000 2.201 229 L HA -0.153 4.172 4.340 -0.024 0.000 0.212 229 L C 2.608 179.309 176.870 -0.280 0.000 1.105 229 L CA 0.970 55.693 54.840 -0.195 0.000 0.775 229 L CB -0.354 41.603 42.059 -0.170 0.000 0.913 229 L HN 0.361 nan 8.230 nan 0.000 0.440 230 M N -0.692 118.680 119.600 -0.381 0.000 2.156 230 M HA -0.175 4.290 4.480 -0.024 0.000 0.264 230 M C 2.312 178.452 176.300 -0.266 0.000 1.067 230 M CA 1.518 56.576 55.300 -0.404 0.000 1.131 230 M CB -0.727 31.450 32.600 -0.705 0.000 1.368 230 M HN 0.160 nan 8.290 nan 0.000 0.416 231 R N -0.052 120.311 120.500 -0.229 0.000 2.090 231 R HA 0.021 4.347 4.340 -0.024 0.000 0.228 231 R C 1.705 177.939 176.300 -0.109 0.000 1.110 231 R CA 1.146 57.154 56.100 -0.153 0.000 0.973 231 R CB -0.127 30.095 30.300 -0.129 0.000 0.869 231 R HN 0.302 nan 8.270 nan 0.000 0.440 232 A N 0.132 122.886 122.820 -0.110 0.000 2.263 232 A HA -0.006 4.299 4.320 -0.024 0.000 0.205 232 A C 1.451 178.984 177.584 -0.085 0.000 1.226 232 A CA 0.674 52.663 52.037 -0.078 0.000 0.810 232 A CB -0.228 18.730 19.000 -0.071 0.000 0.784 232 A HN 0.336 nan 8.150 nan 0.000 0.486 233 L N -3.347 117.819 121.223 -0.095 0.000 2.717 233 L HA 0.347 4.673 4.340 -0.024 0.000 0.239 233 L C 1.736 178.586 176.870 -0.033 0.000 1.086 233 L CA 0.794 55.591 54.840 -0.071 0.000 0.897 233 L CB 0.592 42.596 42.059 -0.091 0.000 1.214 233 L HN 0.498 nan 8.230 nan 0.000 0.508 234 G N -0.135 108.641 108.800 -0.042 0.000 3.675 234 G HA2 -0.106 3.840 3.960 -0.024 0.000 0.206 234 G HA3 -0.106 3.840 3.960 -0.024 0.000 0.206 234 G C 0.186 175.069 174.900 -0.028 0.000 1.086 234 G CA -0.602 44.487 45.100 -0.019 0.000 0.894 234 G HN 0.008 nan 8.290 nan 0.000 0.412 235 I N 1.992 122.531 120.570 -0.052 0.000 2.618 235 I HA 0.310 4.466 4.170 -0.024 0.000 0.284 235 I C 1.381 177.450 176.117 -0.081 0.000 1.146 235 I CA 0.246 61.504 61.300 -0.069 0.000 1.425 235 I CB 1.174 39.095 38.000 -0.133 0.000 1.383 235 I HN 0.195 nan 8.210 nan 0.000 0.562 236 L N 3.852 125.037 121.223 -0.063 0.000 2.588 236 L HA 0.137 4.462 4.340 -0.024 0.000 0.194 236 L C 0.868 177.699 176.870 -0.064 0.000 1.070 236 L CA 0.289 55.092 54.840 -0.062 0.000 0.852 236 L CB 0.157 42.192 42.059 -0.041 0.000 1.199 236 L HN 0.521 nan 8.230 nan 0.000 0.486 237 T N 0.542 115.066 114.554 -0.050 0.000 2.932 237 T HA -0.059 4.276 4.350 -0.024 0.000 0.312 237 T C 0.540 175.206 174.700 -0.057 0.000 1.071 237 T CA -0.189 61.885 62.100 -0.043 0.000 1.128 237 T CB 0.755 69.606 68.868 -0.028 0.000 0.984 237 T HN 0.122 nan 8.240 nan 0.000 0.549 238 D N 1.742 122.112 120.400 -0.050 0.000 2.144 238 D HA -0.076 4.549 4.640 -0.024 0.000 0.199 238 D C 2.148 178.415 176.300 -0.056 0.000 0.984 238 D CA 1.067 55.027 54.000 -0.067 0.000 0.834 238 D CB 0.011 40.782 40.800 -0.048 0.000 0.955 238 D HN 0.458 nan 8.370 nan 0.000 0.465 239 R N 0.480 120.983 120.500 0.006 0.000 2.115 239 R HA -0.096 4.230 4.340 -0.024 0.000 0.230 239 R C 1.427 177.786 176.300 0.099 0.000 1.111 239 R CA 0.884 57.052 56.100 0.114 0.000 0.976 239 R CB -0.044 30.315 30.300 0.100 0.000 0.870 239 R HN 0.106 nan 8.270 nan 0.000 0.445 240 D N 0.258 120.659 120.400 0.002 0.000 2.264 240 D HA -0.056 4.569 4.640 -0.024 0.000 0.208 240 D C 1.626 177.870 176.300 -0.093 0.000 0.966 240 D CA 0.857 54.843 54.000 -0.023 0.000 0.864 240 D CB 0.130 40.907 40.800 -0.037 0.000 0.933 240 D HN 0.213 nan 8.370 nan 0.000 0.499 241 I N -0.582 119.902 120.570 -0.142 0.000 2.429 241 I HA -0.138 4.017 4.170 -0.024 0.000 0.247 241 I C 2.134 178.050 176.117 -0.334 0.000 1.099 241 I CA 0.341 61.503 61.300 -0.231 0.000 1.422 241 I CB 0.044 37.898 38.000 -0.244 0.000 1.112 241 I HN -0.131 nan 8.210 nan 0.000 0.430 242 V N 0.176 119.834 119.914 -0.427 0.000 2.295 242 V HA -0.298 3.807 4.120 -0.024 0.000 0.246 242 V C 2.193 177.940 176.094 -0.577 0.000 1.049 242 V CA 1.996 63.820 62.300 -0.793 0.000 1.024 242 V CB -0.787 30.607 31.823 -0.715 0.000 0.648 242 V HN 0.331 nan 8.190 nan 0.000 0.447 243 Y N 0.288 120.460 120.300 -0.213 0.000 2.395 243 Y HA 0.061 4.597 4.550 -0.024 0.000 0.293 243 Y C 2.461 178.331 175.900 -0.051 0.000 1.123 243 Y CA 0.894 58.934 58.100 -0.101 0.000 1.227 243 Y CB -0.615 37.806 38.460 -0.066 0.000 1.012 243 Y HN 0.173 nan 8.280 nan 0.000 0.552 244 A N -0.395 122.438 122.820 0.020 0.000 1.933 244 A HA -0.143 4.163 4.320 -0.024 0.000 0.218 244 A C 2.325 179.938 177.584 0.049 0.000 1.175 244 A CA 1.885 53.921 52.037 -0.001 0.000 0.628 244 A CB -1.104 17.718 19.000 -0.296 0.000 0.814 244 A HN 0.234 nan 8.150 nan 0.000 0.444 245 V N 0.145 120.041 119.914 -0.028 0.000 2.244 245 V HA -0.062 4.043 4.120 -0.024 0.000 0.244 245 V C 1.137 177.325 176.094 0.156 0.000 1.042 245 V CA 1.788 64.129 62.300 0.068 0.000 1.006 245 V CB -0.825 31.006 31.823 0.013 0.000 0.641 245 V HN 0.790 nan 8.190 nan 0.000 0.446 246 S N -1.434 114.323 115.700 0.094 0.000 2.543 246 S HA 0.581 5.037 4.470 -0.024 0.000 0.273 246 S C -1.159 173.498 174.600 0.095 0.000 1.152 246 S CA -0.733 57.561 58.200 0.157 0.000 0.910 246 S CB 1.299 64.609 63.200 0.185 0.000 1.105 246 S HN 0.136 nan 8.310 nan 0.000 0.465 247 L N 2.691 124.001 121.223 0.146 0.000 2.360 247 L HA 0.291 4.617 4.340 -0.024 0.000 0.276 247 L C -0.301 176.677 176.870 0.180 0.000 1.121 247 L CA -0.126 54.802 54.840 0.147 0.000 0.845 247 L CB -0.109 41.966 42.059 0.028 0.000 1.143 247 L HN 0.784 nan 8.230 nan 0.000 0.452 248 D N 3.149 123.657 120.400 0.181 0.000 2.886 248 D HA -0.167 4.459 4.640 -0.024 0.000 0.221 248 D C -1.775 174.610 176.300 0.140 0.000 1.227 248 D CA 0.221 54.324 54.000 0.171 0.000 0.746 248 D CB -0.341 40.589 40.800 0.217 0.000 0.935 248 D HN 0.421 nan 8.370 nan 0.000 0.399 249 P HA -0.045 nan 4.420 nan 0.000 0.226 249 P C 1.132 178.478 177.300 0.076 0.000 1.161 249 P CA 0.899 64.057 63.100 0.097 0.000 0.804 249 P CB 0.461 32.226 31.700 0.108 0.000 0.829 250 E N -0.697 119.539 120.200 0.061 0.000 3.979 250 E HA -0.341 3.994 4.350 -0.024 0.000 0.208 250 E C 1.379 178.001 176.600 0.036 0.000 1.230 250 E CA 2.056 58.488 56.400 0.053 0.000 2.178 250 E CB -1.940 27.796 29.700 0.060 0.000 1.846 250 E HN 0.108 nan 8.360 nan 0.000 0.311 251 I N 1.754 122.342 120.570 0.031 0.000 2.361 251 I HA -0.275 3.881 4.170 -0.024 0.000 0.251 251 I C 2.723 178.824 176.117 -0.026 0.000 1.133 251 I CA 2.092 63.397 61.300 0.008 0.000 1.413 251 I CB -0.464 37.545 38.000 0.015 0.000 1.073 251 I HN 0.350 nan 8.210 nan 0.000 0.424 252 Q N 0.079 119.878 119.800 -0.002 0.000 2.165 252 Q HA -0.052 4.274 4.340 -0.024 0.000 0.197 252 Q C 1.929 177.970 176.000 0.068 0.000 0.952 252 Q CA 0.730 56.508 55.803 -0.041 0.000 0.848 252 Q CB -0.273 28.489 28.738 0.039 0.000 0.931 252 Q HN 0.354 nan 8.270 nan 0.000 0.470 253 N N 1.646 120.451 118.700 0.175 0.000 2.037 253 N HA -0.250 4.476 4.740 -0.024 0.000 0.196 253 N C 1.614 177.249 175.510 0.208 0.000 1.034 253 N CA 1.620 54.806 53.050 0.227 0.000 0.861 253 N CB -0.229 38.265 38.487 0.011 0.000 1.039 253 N HN 0.369 nan 8.380 nan 0.000 0.427 254 E N 0.433 120.661 120.200 0.046 0.000 2.153 254 E HA -0.144 4.192 4.350 -0.024 0.000 0.194 254 E C 0.613 177.160 176.600 -0.087 0.000 0.988 254 E CA 0.571 56.968 56.400 -0.004 0.000 0.811 254 E CB -0.106 29.581 29.700 -0.022 0.000 0.746 254 E HN 0.359 nan 8.360 nan 0.000 0.466 255 L N 1.201 122.278 121.223 -0.244 0.000 2.873 255 L HA 0.065 4.391 4.340 -0.024 0.000 0.252 255 L C 0.241 176.613 176.870 -0.830 0.000 1.266 255 L CA -0.018 54.532 54.840 -0.484 0.000 1.111 255 L CB -0.199 41.535 42.059 -0.542 0.000 1.440 255 L HN 0.127 nan 8.230 nan 0.000 0.427 256 F N -1.607 118.248 119.950 -0.157 0.000 2.083 256 F HA 0.188 4.700 4.527 -0.025 0.000 0.259 256 F C -0.867 174.867 175.800 -0.110 0.000 0.953 256 F CA -0.017 57.888 58.000 -0.159 0.000 1.156 256 F CB -1.218 37.698 39.000 -0.141 0.000 1.297 256 F HN -0.091 nan 8.300 nan 0.000 0.733 257 P HA -0.109 nan 4.420 nan 0.000 0.224 257 P C 0.604 177.904 177.300 0.000 0.000 1.142 257 P CA 1.643 64.766 63.100 0.038 0.000 0.778 257 P CB -0.321 31.398 31.700 0.032 0.000 0.764 258 S N -1.628 114.054 115.700 -0.031 0.000 2.506 258 S HA 0.300 4.756 4.470 -0.024 0.000 0.245 258 S C 0.688 175.255 174.600 -0.055 0.000 1.088 258 S CA -0.454 57.718 58.200 -0.046 0.000 1.099 258 S CB -0.164 62.997 63.200 -0.066 0.000 0.805 258 S HN -0.089 nan 8.310 nan 0.000 0.461 259 L N 0.552 121.751 121.223 -0.039 0.000 3.635 259 L HA 0.387 4.713 4.340 -0.024 0.000 0.338 259 L C 0.346 177.209 176.870 -0.011 0.000 1.275 259 L CA 0.403 55.223 54.840 -0.034 0.000 1.092 259 L CB -0.123 41.881 42.059 -0.092 0.000 1.465 259 L HN 0.410 nan 8.230 nan 0.000 0.625 260 E N 0.720 120.914 120.200 -0.010 0.000 2.467 260 E HA -0.041 4.294 4.350 -0.024 0.000 0.321 260 E C 1.065 177.648 176.600 -0.027 0.000 1.388 260 E CA -0.069 56.320 56.400 -0.019 0.000 1.508 260 E CB 0.206 29.896 29.700 -0.016 0.000 1.250 260 E HN 0.337 nan 8.360 nan 0.000 0.500 261 Q N 0.715 120.499 119.800 -0.027 0.000 2.311 261 Q HA -0.010 4.315 4.340 -0.024 0.000 0.203 261 Q C 0.664 176.636 176.000 -0.048 0.000 0.954 261 Q CA 0.404 56.190 55.803 -0.028 0.000 0.885 261 Q CB 0.276 29.003 28.738 -0.019 0.000 0.963 261 Q HN 0.308 nan 8.270 nan 0.000 0.471 262 A N 0.435 123.218 122.820 -0.062 0.000 3.056 262 A HA 0.138 4.443 4.320 -0.024 0.000 0.274 262 A C 0.972 178.499 177.584 -0.094 0.000 1.661 262 A CA 0.065 52.042 52.037 -0.100 0.000 1.363 262 A CB -0.113 18.822 19.000 -0.109 0.000 1.139 262 A HN 0.265 nan 8.150 nan 0.000 0.598 263 S N 0.417 116.066 115.700 -0.084 0.000 2.436 263 S HA -0.074 4.381 4.470 -0.024 0.000 0.228 263 S C 1.888 176.443 174.600 -0.075 0.000 1.014 263 S CA 1.897 60.057 58.200 -0.066 0.000 0.950 263 S CB -0.013 63.158 63.200 -0.048 0.000 0.784 263 S HN 0.665 nan 8.310 nan 0.000 0.504 264 S N 1.053 116.685 115.700 -0.113 0.000 2.470 264 S HA 0.312 4.767 4.470 -0.024 0.000 0.222 264 S C 0.530 175.061 174.600 -0.115 0.000 1.024 264 S CA -0.103 58.031 58.200 -0.111 0.000 0.931 264 S CB -0.004 63.105 63.200 -0.151 0.000 0.791 264 S HN 0.406 nan 8.310 nan 0.000 0.513 265 I N 1.889 122.363 120.570 -0.161 0.000 2.496 265 I HA 0.302 4.458 4.170 -0.024 0.000 0.285 265 I C 0.969 177.049 176.117 -0.061 0.000 1.080 265 I CA 0.008 61.239 61.300 -0.115 0.000 1.404 265 I CB 0.590 38.503 38.000 -0.146 0.000 1.403 265 I HN 0.147 nan 8.210 nan 0.000 0.539 266 A N 5.798 128.603 122.820 -0.026 0.000 1.817 266 A HA 0.220 4.526 4.320 -0.024 0.000 0.204 266 A C 0.730 178.306 177.584 -0.013 0.000 1.741 266 A CA -0.143 51.880 52.037 -0.023 0.000 1.196 266 A CB 0.167 19.159 19.000 -0.015 0.000 1.211 266 A HN 0.625 nan 8.150 nan 0.000 0.450 267 N N 0.338 119.041 118.700 0.006 0.000 2.493 267 N HA 0.332 5.057 4.740 -0.024 0.000 0.275 267 N C 1.242 176.757 175.510 0.008 0.000 1.186 267 N CA 0.125 53.179 53.050 0.008 0.000 0.978 267 N CB 1.605 40.103 38.487 0.020 0.000 1.184 267 N HN -0.019 nan 8.380 nan 0.000 0.487 268 V N 0.664 120.578 119.914 -0.000 0.000 2.515 268 V HA -0.167 3.938 4.120 -0.024 0.000 0.250 268 V C 1.302 177.402 176.094 0.010 0.000 1.058 268 V CA 1.460 63.757 62.300 -0.005 0.000 1.064 268 V CB -0.335 31.482 31.823 -0.011 0.000 0.675 268 V HN 0.553 nan 8.190 nan 0.000 0.461 269 D N 0.351 120.762 120.400 0.017 0.000 2.149 269 D HA -0.138 4.488 4.640 -0.024 0.000 0.201 269 D C 1.753 178.079 176.300 0.043 0.000 0.972 269 D CA 1.281 55.294 54.000 0.021 0.000 0.835 269 D CB -0.246 40.563 40.800 0.015 0.000 0.966 269 D HN 0.416 nan 8.370 nan 0.000 0.476 270 D N 0.933 121.377 120.400 0.074 0.000 2.219 270 D HA -0.053 4.572 4.640 -0.024 0.000 0.205 270 D C 2.038 178.486 176.300 0.246 0.000 0.970 270 D CA 0.797 54.894 54.000 0.161 0.000 0.851 270 D CB -0.196 40.722 40.800 0.197 0.000 0.943 270 D HN 0.131 nan 8.370 nan 0.000 0.488 271 A N 0.628 123.530 122.820 0.137 0.000 1.898 271 A HA -0.080 4.226 4.320 -0.024 0.000 0.216 271 A C 2.266 179.910 177.584 0.100 0.000 1.181 271 A CA 0.765 52.870 52.037 0.114 0.000 0.620 271 A CB -0.740 18.270 19.000 0.017 0.000 0.819 271 A HN 0.204 nan 8.150 nan 0.000 0.442 272 L N -0.431 120.824 121.223 0.054 0.000 2.275 272 L HA -0.147 4.178 4.340 -0.024 0.000 0.215 272 L C 2.186 179.075 176.870 0.033 0.000 1.119 272 L CA 1.344 56.203 54.840 0.033 0.000 0.790 272 L CB -0.421 41.647 42.059 0.015 0.000 0.919 272 L HN 0.465 nan 8.230 nan 0.000 0.443 273 D N 0.288 120.705 120.400 0.028 0.000 2.103 273 D HA -0.187 4.438 4.640 -0.024 0.000 0.199 273 D C 1.822 178.049 176.300 -0.122 0.000 0.978 273 D CA 1.444 55.397 54.000 -0.079 0.000 0.829 273 D CB -0.033 40.664 40.800 -0.171 0.000 0.981 273 D HN 0.222 nan 8.370 nan 0.000 0.464 274 F N -0.071 119.883 119.950 0.006 0.000 2.802 274 F HA 0.228 4.740 4.527 -0.024 0.000 0.300 274 F C 1.904 177.716 175.800 0.020 0.000 1.168 274 F CA 0.213 58.221 58.000 0.013 0.000 1.433 274 F CB 0.035 39.042 39.000 0.012 0.000 1.115 274 F HN 0.052 nan 8.300 nan 0.000 0.582 275 I N -1.115 119.541 120.570 0.144 0.000 2.731 275 I HA -0.005 4.151 4.170 -0.024 0.000 0.260 275 I C 2.620 178.772 176.117 0.058 0.000 1.138 275 I CA 0.852 62.210 61.300 0.097 0.000 1.461 275 I CB -0.672 37.372 38.000 0.074 0.000 1.128 275 I HN 0.096 nan 8.210 nan 0.000 0.438 276 G N 0.539 109.351 108.800 0.020 0.000 2.509 276 G HA2 -0.202 3.744 3.960 -0.024 0.000 0.218 276 G HA3 -0.202 3.744 3.960 -0.024 0.000 0.218 276 G C 1.713 176.600 174.900 -0.023 0.000 1.124 276 G CA 0.934 46.031 45.100 -0.006 0.000 0.776 276 G HN 0.487 nan 8.290 nan 0.000 0.547 277 S N -0.023 115.656 115.700 -0.035 0.000 2.489 277 S HA 0.104 4.559 4.470 -0.024 0.000 0.228 277 S C 2.144 176.747 174.600 0.005 0.000 0.995 277 S CA 0.189 58.368 58.200 -0.035 0.000 0.934 277 S CB -0.008 63.157 63.200 -0.058 0.000 0.771 277 S HN 0.240 nan 8.310 nan 0.000 0.522 278 R N 0.770 121.287 120.500 0.029 0.000 2.140 278 R HA 0.242 4.567 4.340 -0.024 0.000 0.213 278 R C 2.206 178.519 176.300 0.023 0.000 1.059 278 R CA 0.921 57.043 56.100 0.037 0.000 1.000 278 R CB -0.894 29.445 30.300 0.065 0.000 0.910 278 R HN 0.446 nan 8.270 nan 0.000 0.455 279 V N 0.855 120.781 119.914 0.021 0.000 2.346 279 V HA 0.056 4.161 4.120 -0.024 0.000 0.244 279 V C 1.081 177.174 176.094 -0.002 0.000 1.037 279 V CA 1.424 63.730 62.300 0.010 0.000 1.029 279 V CB -0.408 31.426 31.823 0.018 0.000 0.663 279 V HN 0.237 nan 8.190 nan 0.000 0.454 280 A N -0.041 122.776 122.820 -0.004 0.000 2.375 280 A HA 0.749 5.055 4.320 -0.024 0.000 0.295 280 A C -0.836 176.740 177.584 -0.014 0.000 1.066 280 A CA -0.416 51.616 52.037 -0.009 0.000 0.722 280 A CB 0.921 19.916 19.000 -0.008 0.000 1.206 280 A HN 0.295 nan 8.150 nan 0.000 0.435 281 I N 3.709 124.272 120.570 -0.012 0.000 2.313 281 I HA 0.479 4.634 4.170 -0.024 0.000 0.286 281 I C 0.932 177.041 176.117 -0.014 0.000 1.091 281 I CA 0.071 61.362 61.300 -0.014 0.000 1.216 281 I CB 0.855 38.850 38.000 -0.008 0.000 1.434 281 I HN 0.731 nan 8.210 nan 0.000 0.487 282 G N 3.993 112.782 108.800 -0.019 0.000 3.392 282 G HA2 0.355 4.300 3.960 -0.024 0.000 0.185 282 G HA3 0.355 4.300 3.960 -0.024 0.000 0.185 282 G C 0.288 175.176 174.900 -0.020 0.000 1.206 282 G CA 0.114 45.204 45.100 -0.017 0.000 0.776 282 G HN 0.541 nan 8.290 nan 0.000 0.697 283 Q N -1.383 118.404 119.800 -0.020 0.000 2.104 283 Q HA 0.305 4.630 4.340 -0.024 0.000 0.240 283 Q C -0.060 175.925 176.000 -0.024 0.000 0.743 283 Q CA -0.200 55.590 55.803 -0.022 0.000 0.920 283 Q CB 0.439 29.168 28.738 -0.015 0.000 1.198 283 Q HN 0.226 nan 8.270 nan 0.000 0.465 284 K N 2.144 122.531 120.400 -0.021 0.000 2.278 284 K HA 0.193 4.499 4.320 -0.024 0.000 0.289 284 K C 0.567 177.150 176.600 -0.029 0.000 1.080 284 K CA -0.280 55.995 56.287 -0.021 0.000 0.934 284 K CB 0.836 33.327 32.500 -0.014 0.000 1.093 284 K HN 0.114 nan 8.250 nan 0.000 0.459 285 R N 2.689 123.169 120.500 -0.034 0.000 2.096 285 R HA -0.176 4.149 4.340 -0.024 0.000 0.235 285 R C 0.716 176.993 176.300 -0.038 0.000 1.127 285 R CA 1.801 57.872 56.100 -0.047 0.000 0.968 285 R CB 0.274 30.544 30.300 -0.050 0.000 0.861 285 R HN 0.571 nan 8.270 nan 0.000 0.440 286 E N 0.118 120.303 120.200 -0.025 0.000 2.077 286 E HA -0.124 4.212 4.350 -0.024 0.000 0.193 286 E C 1.710 178.303 176.600 -0.012 0.000 0.989 286 E CA 1.594 57.985 56.400 -0.016 0.000 0.800 286 E CB -0.186 29.508 29.700 -0.010 0.000 0.746 286 E HN 0.429 nan 8.360 nan 0.000 0.452 287 N N -0.203 118.490 118.700 -0.012 0.000 2.331 287 N HA -0.043 4.682 4.740 -0.024 0.000 0.180 287 N C 1.466 176.970 175.510 -0.009 0.000 1.019 287 N CA 0.541 53.587 53.050 -0.007 0.000 0.881 287 N CB 0.103 38.587 38.487 -0.006 0.000 0.972 287 N HN -0.001 nan 8.380 nan 0.000 0.435 288 R N 0.211 120.699 120.500 -0.021 0.000 2.092 288 R HA 0.056 4.382 4.340 -0.024 0.000 0.231 288 R C 1.664 177.953 176.300 -0.018 0.000 1.119 288 R CA 0.907 56.992 56.100 -0.026 0.000 0.970 288 R CB -0.156 30.113 30.300 -0.051 0.000 0.864 288 R HN 0.283 nan 8.270 nan 0.000 0.440 289 I N 0.384 120.943 120.570 -0.018 0.000 2.439 289 I HA -0.175 3.981 4.170 -0.024 0.000 0.251 289 I C 1.925 178.046 176.117 0.007 0.000 1.139 289 I CA 1.129 62.425 61.300 -0.007 0.000 1.438 289 I CB -0.231 37.764 38.000 -0.008 0.000 1.085 289 I HN 0.165 nan 8.210 nan 0.000 0.427 290 E N 1.081 121.285 120.200 0.007 0.000 2.077 290 E HA -0.243 4.093 4.350 -0.024 0.000 0.193 290 E C 2.099 178.715 176.600 0.026 0.000 0.989 290 E CA 1.110 57.519 56.400 0.015 0.000 0.800 290 E CB -0.016 29.691 29.700 0.012 0.000 0.746 290 E HN 0.370 nan 8.360 nan 0.000 0.452 291 K N 0.242 120.657 120.400 0.024 0.000 2.243 291 K HA 0.077 4.382 4.320 -0.024 0.000 0.201 291 K C 1.284 177.911 176.600 0.046 0.000 1.051 291 K CA 0.478 56.786 56.287 0.035 0.000 0.970 291 K CB 0.245 32.759 32.500 0.024 0.000 0.755 291 K HN -0.037 nan 8.250 nan 0.000 0.465 292 A N 1.121 123.963 122.820 0.037 0.000 2.324 292 A HA 0.019 4.325 4.320 -0.024 0.000 0.240 292 A C 0.822 178.435 177.584 0.048 0.000 1.347 292 A CA 0.249 52.314 52.037 0.046 0.000 1.036 292 A CB -0.142 18.877 19.000 0.032 0.000 0.917 292 A HN 0.383 nan 8.150 nan 0.000 0.519 293 Q N -2.127 117.708 119.800 0.059 0.000 2.546 293 Q HA 0.062 4.388 4.340 -0.024 0.000 0.226 293 Q C 1.316 177.368 176.000 0.085 0.000 0.769 293 Q CA 0.126 55.964 55.803 0.058 0.000 0.954 293 Q CB 0.261 29.024 28.738 0.040 0.000 1.319 293 Q HN 0.702 nan 8.270 nan 0.000 0.534 294 Q N 0.249 120.105 119.800 0.093 0.000 2.360 294 Q HA 0.135 4.461 4.340 -0.024 0.000 0.202 294 Q C 1.415 177.524 176.000 0.181 0.000 0.915 294 Q CA 0.159 56.031 55.803 0.115 0.000 0.943 294 Q CB 0.695 29.487 28.738 0.089 0.000 1.064 294 Q HN 0.276 nan 8.270 nan 0.000 0.511 295 I N -0.044 120.642 120.570 0.193 0.000 2.385 295 I HA -0.146 4.010 4.170 -0.024 0.000 0.244 295 I C 2.033 178.381 176.117 0.385 0.000 1.089 295 I CA 1.066 62.535 61.300 0.282 0.000 1.410 295 I CB -0.596 37.497 38.000 0.156 0.000 1.117 295 I HN 0.245 nan 8.210 nan 0.000 0.429 296 I N 1.156 121.891 120.570 0.275 0.000 2.151 296 I HA -0.340 3.815 4.170 -0.024 0.000 0.243 296 I C 2.123 178.396 176.117 0.261 0.000 1.080 296 I CA 1.547 63.002 61.300 0.258 0.000 1.339 296 I CB -0.413 37.640 38.000 0.088 0.000 1.039 296 I HN 0.207 nan 8.210 nan 0.000 0.409 297 D N 0.905 121.419 120.400 0.189 0.000 2.178 297 D HA -0.185 4.440 4.640 -0.024 0.000 0.201 297 D C 1.895 178.283 176.300 0.147 0.000 0.980 297 D CA 1.391 55.479 54.000 0.147 0.000 0.842 297 D CB -0.089 40.773 40.800 0.103 0.000 0.948 297 D HN 0.535 nan 8.370 nan 0.000 0.472 298 K N -1.785 118.723 120.400 0.180 0.000 2.387 298 K HA 0.098 4.403 4.320 -0.024 0.000 0.203 298 K C 0.685 177.259 176.600 -0.045 0.000 1.030 298 K CA 0.021 56.346 56.287 0.063 0.000 1.099 298 K CB 0.362 32.863 32.500 0.002 0.000 0.863 298 K HN 0.063 nan 8.250 nan 0.000 0.529 299 Y N -0.552 119.892 120.300 0.240 0.000 2.784 299 Y HA 0.285 4.820 4.550 -0.024 0.000 0.267 299 Y C -0.085 176.125 175.900 0.517 0.000 1.117 299 Y CA -0.795 57.501 58.100 0.328 0.000 1.231 299 Y CB 0.626 39.281 38.460 0.325 0.000 1.441 299 Y HN -0.019 nan 8.280 nan 0.000 0.469 300 F N 2.743 123.009 119.950 0.526 0.000 2.434 300 F HA 0.321 4.834 4.527 -0.025 0.000 0.358 300 F C 0.172 176.058 175.800 0.143 0.000 1.136 300 F CA -0.556 57.571 58.000 0.212 0.000 1.157 300 F CB -0.147 38.751 39.000 -0.170 0.000 1.167 300 F HN 0.005 nan 8.300 nan 0.000 0.539 301 L N 7.106 128.270 121.223 -0.100 0.000 3.746 301 L HA -0.199 4.126 4.340 -0.024 0.000 0.542 301 L C -2.000 174.968 176.870 0.163 0.000 1.268 301 L CA -0.297 54.614 54.840 0.119 0.000 0.818 301 L CB -0.839 41.288 42.059 0.113 0.000 1.472 301 L HN 0.481 nan 8.230 nan 0.000 0.843 302 P HA 0.001 nan 4.420 nan 0.000 0.256 302 P C 0.757 178.094 177.300 0.062 0.000 1.384 302 P CA 0.607 63.758 63.100 0.086 0.000 0.879 302 P CB -0.185 31.552 31.700 0.062 0.000 1.403 303 H N -2.658 116.386 119.070 -0.043 0.000 2.539 303 H HA 0.329 4.871 4.556 -0.024 0.000 0.269 303 H C 1.249 176.540 175.328 -0.060 0.000 0.980 303 H CA -0.019 55.997 56.048 -0.054 0.000 1.152 303 H CB -0.443 29.275 29.762 -0.073 0.000 1.407 303 H HN 0.047 nan 8.280 nan 0.000 0.564 304 L N -0.522 120.433 121.223 -0.448 0.000 2.600 304 L HA 0.477 4.803 4.340 -0.024 0.000 0.213 304 L C 0.826 177.611 176.870 -0.142 0.000 1.045 304 L CA 0.399 55.012 54.840 -0.378 0.000 0.863 304 L CB 1.038 42.805 42.059 -0.488 0.000 1.189 304 L HN 0.435 nan 8.230 nan 0.000 0.484 305 G N -1.681 107.072 108.800 -0.077 0.000 2.755 305 G HA2 0.421 4.366 3.960 -0.024 0.000 0.297 305 G HA3 0.421 4.366 3.960 -0.024 0.000 0.297 305 G C -0.404 174.503 174.900 0.011 0.000 1.441 305 G CA -0.082 45.007 45.100 -0.020 0.000 0.964 305 G HN -0.220 nan 8.290 nan 0.000 0.540 306 T N 0.328 114.891 114.554 0.015 0.000 3.018 306 T HA 0.184 4.519 4.350 -0.024 0.000 0.246 306 T C 1.682 176.403 174.700 0.034 0.000 1.026 306 T CA 0.860 62.975 62.100 0.025 0.000 1.081 306 T CB 0.029 68.904 68.868 0.013 0.000 0.970 306 T HN 0.888 nan 8.240 nan 0.000 0.475 307 S N 1.158 116.875 115.700 0.027 0.000 2.617 307 S HA 0.649 5.104 4.470 -0.024 0.000 0.269 307 S C 1.646 176.267 174.600 0.034 0.000 1.292 307 S CA -0.262 57.956 58.200 0.029 0.000 1.010 307 S CB 1.332 64.545 63.200 0.021 0.000 0.944 307 S HN 0.246 nan 8.310 nan 0.000 0.536 308 A N 0.718 123.558 122.820 0.034 0.000 2.019 308 A HA -0.038 4.268 4.320 -0.024 0.000 0.219 308 A C 1.121 178.723 177.584 0.030 0.000 1.164 308 A CA 1.336 53.393 52.037 0.035 0.000 0.644 308 A CB -0.866 18.153 19.000 0.031 0.000 0.805 308 A HN 0.820 nan 8.150 nan 0.000 0.449 309 D N 0.620 121.035 120.400 0.025 0.000 2.395 309 D HA 0.067 4.693 4.640 -0.024 0.000 0.250 309 D C -0.096 176.218 176.300 0.024 0.000 1.203 309 D CA 0.410 54.423 54.000 0.021 0.000 0.872 309 D CB 0.046 40.855 40.800 0.015 0.000 0.941 309 D HN 0.398 nan 8.370 nan 0.000 0.504 310 D N -0.804 119.615 120.400 0.031 0.000 2.563 310 D HA 0.117 4.743 4.640 -0.024 0.000 0.237 310 D C 1.585 177.918 176.300 0.055 0.000 1.282 310 D CA -0.153 53.868 54.000 0.035 0.000 0.816 310 D CB 0.713 41.527 40.800 0.023 0.000 1.066 310 D HN 0.102 nan 8.370 nan 0.000 0.501 311 R N 0.401 120.933 120.500 0.053 0.000 2.062 311 R HA 0.127 4.452 4.340 -0.024 0.000 0.229 311 R C 2.187 178.536 176.300 0.081 0.000 1.128 311 R CA 0.656 56.788 56.100 0.053 0.000 0.960 311 R CB 0.276 30.593 30.300 0.030 0.000 0.855 311 R HN -0.046 nan 8.270 nan 0.000 0.432 312 R N 0.809 121.368 120.500 0.098 0.000 2.115 312 R HA -0.064 4.261 4.340 -0.024 0.000 0.230 312 R C 1.804 178.250 176.300 0.244 0.000 1.111 312 R CA 1.158 57.363 56.100 0.175 0.000 0.976 312 R CB 0.032 30.435 30.300 0.172 0.000 0.870 312 R HN 0.144 nan 8.270 nan 0.000 0.445 313 K N 0.682 121.169 120.400 0.145 0.000 2.439 313 K HA -0.105 4.201 4.320 -0.024 0.000 0.197 313 K C 1.572 178.280 176.600 0.180 0.000 1.041 313 K CA 1.015 57.380 56.287 0.131 0.000 0.970 313 K CB 0.200 32.732 32.500 0.053 0.000 0.773 313 K HN 0.217 nan 8.250 nan 0.000 0.479 314 K N -1.397 119.117 120.400 0.190 0.000 2.402 314 K HA 0.286 4.592 4.320 -0.024 0.000 0.204 314 K C 1.603 178.394 176.600 0.319 0.000 1.056 314 K CA 0.302 56.738 56.287 0.248 0.000 1.069 314 K CB 0.738 33.337 32.500 0.166 0.000 0.888 314 K HN -0.067 nan 8.250 nan 0.000 0.546 315 A N 0.708 123.673 122.820 0.243 0.000 2.016 315 A HA 0.016 4.322 4.320 -0.024 0.000 0.217 315 A C 1.380 179.076 177.584 0.187 0.000 1.162 315 A CA 0.587 52.719 52.037 0.159 0.000 0.662 315 A CB -0.627 18.395 19.000 0.036 0.000 0.812 315 A HN 0.343 nan 8.150 nan 0.000 0.450 316 Y N -2.391 118.021 120.300 0.186 0.000 2.439 316 Y HA -0.142 4.394 4.550 -0.025 0.000 0.292 316 Y C 2.128 178.189 175.900 0.268 0.000 1.130 316 Y CA 1.532 59.748 58.100 0.193 0.000 1.254 316 Y CB -0.303 38.246 38.460 0.148 0.000 1.000 316 Y HN 0.506 nan 8.280 nan 0.000 0.554 317 Y N -0.474 120.032 120.300 0.342 0.000 2.220 317 Y HA -0.214 4.322 4.550 -0.023 0.000 0.291 317 Y C 2.263 178.378 175.900 0.358 0.000 1.129 317 Y CA 1.260 59.569 58.100 0.348 0.000 1.161 317 Y CB -0.286 38.358 38.460 0.306 0.000 0.997 317 Y HN 0.060 nan 8.280 nan 0.000 0.522 318 L N -0.835 120.682 121.223 0.490 0.000 2.141 318 L HA -0.191 4.134 4.340 -0.024 0.000 0.209 318 L C 2.486 179.562 176.870 0.343 0.000 1.094 318 L CA 1.227 56.332 54.840 0.441 0.000 0.763 318 L CB -0.561 41.803 42.059 0.507 0.000 0.908 318 L HN 0.363 nan 8.230 nan 0.000 0.437 319 A N -0.839 122.172 122.820 0.317 0.000 1.898 319 A HA -0.309 3.996 4.320 -0.024 0.000 0.216 319 A C 2.091 179.796 177.584 0.201 0.000 1.181 319 A CA 1.601 53.797 52.037 0.264 0.000 0.620 319 A CB -0.917 18.178 19.000 0.157 0.000 0.819 319 A HN 0.551 nan 8.150 nan 0.000 0.442 320 Y N 0.752 121.093 120.300 0.069 0.000 2.293 320 Y HA 0.010 4.545 4.550 -0.026 0.000 0.291 320 Y C 2.481 178.349 175.900 -0.055 0.000 1.137 320 Y CA 0.768 58.865 58.100 -0.005 0.000 1.202 320 Y CB -0.492 37.917 38.460 -0.084 0.000 0.990 320 Y HN 0.292 nan 8.280 nan 0.000 0.537 321 A N 0.127 122.838 122.820 -0.182 0.000 2.019 321 A HA -0.115 4.190 4.320 -0.024 0.000 0.219 321 A C 2.065 179.557 177.584 -0.153 0.000 1.164 321 A CA 1.678 53.592 52.037 -0.206 0.000 0.644 321 A CB -0.765 18.248 19.000 0.021 0.000 0.805 321 A HN 0.469 nan 8.150 nan 0.000 0.449 322 I N 0.599 121.113 120.570 -0.094 0.000 2.480 322 I HA -0.113 4.043 4.170 -0.024 0.000 0.251 322 I C 2.532 178.612 176.117 -0.062 0.000 1.124 322 I CA 1.701 62.945 61.300 -0.093 0.000 1.444 322 I CB -1.276 36.606 38.000 -0.196 0.000 1.098 322 I HN 0.490 nan 8.210 nan 0.000 0.428 323 S N 0.412 116.081 115.700 -0.052 0.000 2.584 323 S HA -0.080 4.375 4.470 -0.024 0.000 0.240 323 S C 1.634 176.183 174.600 -0.084 0.000 0.975 323 S CA 0.665 58.858 58.200 -0.011 0.000 0.949 323 S CB -0.168 63.087 63.200 0.092 0.000 0.761 323 S HN 0.371 nan 8.310 nan 0.000 0.536 324 K N 0.600 120.897 120.400 -0.171 0.000 2.214 324 K HA 0.221 4.527 4.320 -0.024 0.000 0.201 324 K C 2.031 178.589 176.600 -0.070 0.000 1.049 324 K CA 0.909 57.112 56.287 -0.139 0.000 0.978 324 K CB -0.317 32.060 32.500 -0.205 0.000 0.842 324 K HN 0.357 nan 8.250 nan 0.000 0.474 325 V N 2.954 122.831 119.914 -0.061 0.000 2.379 325 V HA -0.182 3.924 4.120 -0.024 0.000 0.245 325 V C 2.390 178.452 176.094 -0.053 0.000 1.044 325 V CA 1.492 63.771 62.300 -0.035 0.000 1.036 325 V CB -0.683 31.124 31.823 -0.027 0.000 0.664 325 V HN 0.278 nan 8.190 nan 0.000 0.453 326 I N -1.153 119.395 120.570 -0.037 0.000 2.546 326 I HA -0.105 4.051 4.170 -0.024 0.000 0.255 326 I C 2.216 178.309 176.117 -0.040 0.000 1.163 326 I CA 1.626 62.894 61.300 -0.053 0.000 1.457 326 I CB -0.538 37.402 38.000 -0.100 0.000 1.092 326 I HN 0.259 nan 8.210 nan 0.000 0.434 327 E N 0.871 121.051 120.200 -0.033 0.000 2.274 327 E HA -0.134 4.202 4.350 -0.024 0.000 0.194 327 E C 1.983 178.552 176.600 -0.053 0.000 0.996 327 E CA 0.574 56.960 56.400 -0.024 0.000 0.840 327 E CB 0.132 29.831 29.700 -0.002 0.000 0.772 327 E HN 0.497 nan 8.360 nan 0.000 0.491 328 L N -0.591 120.593 121.223 -0.064 0.000 2.298 328 L HA 0.010 4.336 4.340 -0.024 0.000 0.209 328 L C 1.772 178.523 176.870 -0.199 0.000 1.084 328 L CA 1.042 55.836 54.840 -0.077 0.000 0.816 328 L CB -0.300 41.768 42.059 0.015 0.000 0.967 328 L HN 0.141 nan 8.230 nan 0.000 0.460 329 Y N 0.000 120.033 120.300 -0.445 0.000 2.181 329 Y HA -0.113 4.423 4.550 -0.024 0.000 0.288 329 Y C 1.014 176.763 175.900 -0.252 0.000 1.146 329 Y CA 1.201 58.985 58.100 -0.526 0.000 1.164 329 Y CB 0.119 38.311 38.460 -0.446 0.000 0.982 329 Y HN 0.032 nan 8.280 nan 0.000 0.515 330 L N 1.460 122.671 121.223 -0.020 0.000 2.385 330 L HA 0.234 4.560 4.340 -0.024 0.000 0.285 330 L C 0.762 177.529 176.870 -0.172 0.000 1.125 330 L CA -0.421 54.377 54.840 -0.070 0.000 0.890 330 L CB -0.060 41.978 42.059 -0.035 0.000 1.251 330 L HN 0.285 nan 8.230 nan 0.000 0.445 331 G N 5.063 113.731 108.800 -0.220 0.000 2.498 331 G HA2 -0.168 3.778 3.960 -0.024 0.000 0.295 331 G HA3 -0.168 3.778 3.960 -0.024 0.000 0.295 331 G C 0.803 175.408 174.900 -0.492 0.000 0.657 331 G CA 0.124 45.050 45.100 -0.290 0.000 1.702 331 G HN 0.756 nan 8.290 nan 0.000 0.369 332 R N 1.092 121.384 120.500 -0.346 0.000 2.622 332 R HA 0.122 4.447 4.340 -0.024 0.000 0.180 332 R C 2.216 178.455 176.300 -0.102 0.000 0.813 332 R CA 0.090 55.991 56.100 -0.332 0.000 1.049 332 R CB 0.193 30.415 30.300 -0.130 0.000 1.438 332 R HN 0.458 nan 8.270 nan 0.000 0.636 333 R N 1.073 121.538 120.500 -0.057 0.000 2.087 333 R HA 0.125 4.450 4.340 -0.024 0.000 0.213 333 R C -0.069 176.232 176.300 0.002 0.000 1.137 333 R CA 0.209 56.311 56.100 0.002 0.000 1.022 333 R CB 0.385 30.692 30.300 0.012 0.000 0.920 333 R HN 0.203 nan 8.270 nan 0.000 0.451 334 E N 1.108 121.301 120.200 -0.012 0.000 7.598 334 E HA -0.082 4.254 4.350 -0.024 0.000 0.448 334 E C -2.684 173.923 176.600 0.012 0.000 0.412 334 E CA -0.389 56.011 56.400 -0.001 0.000 0.756 334 E CB -0.370 29.332 29.700 0.004 0.000 0.964 334 E HN -0.010 nan 8.360 nan 0.000 0.262 335 P HA -0.024 nan 4.420 nan 0.000 0.264 335 P C -0.505 176.807 177.300 0.020 0.000 1.179 335 P CA 0.287 63.398 63.100 0.018 0.000 0.763 335 P CB 0.379 32.087 31.700 0.014 0.000 0.806 336 D N 2.118 122.527 120.400 0.014 0.000 2.451 336 D HA -0.073 4.552 4.640 -0.024 0.000 0.254 336 D C 0.138 176.449 176.300 0.019 0.000 1.204 336 D CA 0.729 54.732 54.000 0.006 0.000 0.896 336 D CB 0.258 41.058 40.800 -0.000 0.000 1.136 336 D HN 0.321 nan 8.370 nan 0.000 0.499 337 D N 2.531 122.951 120.400 0.032 0.000 2.383 337 D HA -0.031 4.594 4.640 -0.024 0.000 0.245 337 D C 0.902 177.236 176.300 0.056 0.000 1.263 337 D CA -0.181 53.871 54.000 0.087 0.000 0.936 337 D CB 0.392 41.298 40.800 0.177 0.000 1.053 337 D HN 0.346 nan 8.370 nan 0.000 0.507 338 K N 1.602 122.018 120.400 0.026 0.000 2.505 338 K HA 0.081 4.386 4.320 -0.024 0.000 0.192 338 K C 0.209 176.765 176.600 -0.073 0.000 1.025 338 K CA 0.109 56.383 56.287 -0.022 0.000 1.086 338 K CB 0.767 33.256 32.500 -0.017 0.000 0.840 338 K HN 0.097 nan 8.250 nan 0.000 0.514 339 D N 0.174 120.536 120.400 -0.064 0.000 2.392 339 D HA -0.044 4.582 4.640 -0.024 0.000 0.206 339 D C -0.028 175.880 176.300 -0.654 0.000 1.046 339 D CA 0.151 54.031 54.000 -0.200 0.000 0.865 339 D CB 0.078 40.922 40.800 0.072 0.000 0.969 339 D HN 0.274 nan 8.370 nan 0.000 0.509 340 H N 0.462 119.187 119.070 -0.574 0.000 2.928 340 H HA -0.095 4.445 4.556 -0.027 0.000 0.338 340 H C 0.289 175.420 175.328 -0.328 0.000 1.047 340 H CA 0.623 56.376 56.048 -0.492 0.000 1.435 340 H CB 0.486 30.195 29.762 -0.088 0.000 1.428 340 H HN 0.050 nan 8.280 nan 0.000 0.590 341 Y N 2.996 123.231 120.300 -0.108 0.000 2.616 341 Y HA -0.049 4.485 4.550 -0.026 0.000 0.296 341 Y C 2.275 178.241 175.900 0.110 0.000 1.154 341 Y CA 0.913 59.010 58.100 -0.004 0.000 1.325 341 Y CB 0.073 38.513 38.460 -0.034 0.000 1.007 341 Y HN 0.764 nan 8.280 nan 0.000 0.542 342 A N -0.159 122.881 122.820 0.366 0.000 2.014 342 A HA -0.133 4.172 4.320 -0.024 0.000 0.218 342 A C 1.649 179.265 177.584 0.052 0.000 1.163 342 A CA 1.208 53.349 52.037 0.173 0.000 0.652 342 A CB -0.376 18.644 19.000 0.033 0.000 0.808 342 A HN 0.452 nan 8.150 nan 0.000 0.449 343 N N -0.592 118.113 118.700 0.008 0.000 2.322 343 N HA 0.099 4.824 4.740 -0.024 0.000 0.216 343 N C -0.552 174.918 175.510 -0.067 0.000 1.144 343 N CA 0.159 53.189 53.050 -0.033 0.000 0.830 343 N CB 0.333 38.789 38.487 -0.051 0.000 1.034 343 N HN 0.158 nan 8.380 nan 0.000 0.484 344 K N 0.789 121.156 120.400 -0.056 0.000 2.443 344 K HA 0.408 4.713 4.320 -0.024 0.000 0.252 344 K C -1.209 175.421 176.600 0.049 0.000 0.933 344 K CA -0.469 55.757 56.287 -0.101 0.000 0.792 344 K CB 1.781 34.008 32.500 -0.456 0.000 1.185 344 K HN -0.108 nan 8.250 nan 0.000 0.425 345 R N 2.674 123.203 120.500 0.049 0.000 2.750 345 R HA 0.610 4.935 4.340 -0.024 0.000 0.281 345 R C -1.481 174.876 176.300 0.095 0.000 0.972 345 R CA -0.773 55.377 56.100 0.083 0.000 0.912 345 R CB 1.105 31.442 30.300 0.062 0.000 1.187 345 R HN 0.434 nan 8.270 nan 0.000 0.464 346 L N 3.774 125.060 121.223 0.104 0.000 2.295 346 L HA 0.493 4.819 4.340 -0.024 0.000 0.281 346 L C -0.727 176.197 176.870 0.089 0.000 1.018 346 L CA -0.376 54.526 54.840 0.102 0.000 0.841 346 L CB 1.174 43.295 42.059 0.104 0.000 1.218 346 L HN 0.391 nan 8.230 nan 0.000 0.424 347 R N 5.438 125.995 120.500 0.095 0.000 2.248 347 R HA 0.378 4.703 4.340 -0.024 0.000 0.337 347 R C -0.297 176.083 176.300 0.133 0.000 1.106 347 R CA -0.388 55.772 56.100 0.101 0.000 0.959 347 R CB 0.046 30.401 30.300 0.092 0.000 1.075 347 R HN 0.550 nan 8.270 nan 0.000 0.480 348 L N 0.927 122.231 121.223 0.134 0.000 2.482 348 L HA 0.144 4.470 4.340 -0.024 0.000 0.242 348 L C 1.859 178.886 176.870 0.261 0.000 1.210 348 L CA 0.021 54.986 54.840 0.208 0.000 0.819 348 L CB 0.290 42.413 42.059 0.107 0.000 1.203 348 L HN 0.587 nan 8.230 nan 0.000 0.495 349 A N 0.752 123.811 122.820 0.399 0.000 1.940 349 A HA -0.134 4.172 4.320 -0.024 0.000 0.219 349 A C 2.077 179.782 177.584 0.203 0.000 1.176 349 A CA 1.903 54.072 52.037 0.220 0.000 0.631 349 A CB -1.423 17.616 19.000 0.065 0.000 0.814 349 A HN 0.980 nan 8.150 nan 0.000 0.446 350 G N 1.011 109.943 108.800 0.221 0.000 2.587 350 G HA2 -0.353 3.592 3.960 -0.024 0.000 0.217 350 G HA3 -0.353 3.592 3.960 -0.024 0.000 0.217 350 G C 1.200 176.145 174.900 0.075 0.000 1.240 350 G CA 1.380 46.592 45.100 0.186 0.000 0.794 350 G HN 0.708 nan 8.290 nan 0.000 0.580 351 D N 0.204 120.675 120.400 0.120 0.000 2.363 351 D HA 0.012 4.637 4.640 -0.024 0.000 0.220 351 D C 2.258 178.601 176.300 0.071 0.000 0.994 351 D CA 0.205 54.267 54.000 0.104 0.000 0.890 351 D CB -0.057 40.813 40.800 0.117 0.000 0.906 351 D HN 0.254 nan 8.370 nan 0.000 0.530 352 L N -0.257 121.020 121.223 0.091 0.000 2.095 352 L HA 0.104 4.430 4.340 -0.024 0.000 0.204 352 L C 1.975 178.881 176.870 0.060 0.000 1.080 352 L CA 0.995 55.886 54.840 0.086 0.000 0.759 352 L CB -0.962 41.168 42.059 0.118 0.000 0.914 352 L HN -0.053 nan 8.230 nan 0.000 0.439 353 F N -0.102 119.755 119.950 -0.154 0.000 2.365 353 F HA -0.036 4.476 4.527 -0.024 0.000 0.300 353 F C 2.155 177.721 175.800 -0.390 0.000 1.090 353 F CA 0.869 58.693 58.000 -0.293 0.000 1.408 353 F CB -0.263 38.505 39.000 -0.386 0.000 1.060 353 F HN 0.126 nan 8.300 nan 0.000 0.534 354 A N -1.068 121.569 122.820 -0.306 0.000 1.930 354 A HA -0.076 4.230 4.320 -0.024 0.000 0.215 354 A C 2.358 179.962 177.584 0.034 0.000 1.176 354 A CA 1.550 53.534 52.037 -0.088 0.000 0.632 354 A CB -0.980 18.121 19.000 0.168 0.000 0.819 354 A HN 0.313 nan 8.150 nan 0.000 0.445 355 S N -0.206 115.486 115.700 -0.013 0.000 2.382 355 S HA -0.138 4.317 4.470 -0.024 0.000 0.228 355 S C 1.848 176.406 174.600 -0.071 0.000 1.027 355 S CA 1.387 59.577 58.200 -0.016 0.000 0.991 355 S CB -0.410 62.777 63.200 -0.023 0.000 0.823 355 S HN 0.551 nan 8.310 nan 0.000 0.469 356 L N 0.853 121.997 121.223 -0.132 0.000 2.046 356 L HA 0.020 4.346 4.340 -0.024 0.000 0.208 356 L C 1.888 178.669 176.870 -0.149 0.000 1.077 356 L CA 1.709 56.434 54.840 -0.191 0.000 0.747 356 L CB -0.705 41.191 42.059 -0.271 0.000 0.896 356 L HN 0.290 nan 8.230 nan 0.000 0.432 357 F N 0.005 119.788 119.950 -0.278 0.000 2.259 357 F HA -0.090 4.423 4.527 -0.024 0.000 0.298 357 F C 2.645 178.427 175.800 -0.029 0.000 1.088 357 F CA 1.322 59.224 58.000 -0.162 0.000 1.358 357 F CB -0.223 38.713 39.000 -0.107 0.000 1.040 357 F HN 0.036 nan 8.300 nan 0.000 0.505 358 R N -0.339 120.219 120.500 0.097 0.000 2.081 358 R HA -0.144 4.182 4.340 -0.024 0.000 0.235 358 R C 2.289 178.578 176.300 -0.018 0.000 1.131 358 R CA 1.614 57.758 56.100 0.073 0.000 0.960 358 R CB -0.714 29.635 30.300 0.081 0.000 0.856 358 R HN 0.335 nan 8.270 nan 0.000 0.436 359 V N 0.339 120.196 119.914 -0.095 0.000 2.719 359 V HA -0.033 4.073 4.120 -0.024 0.000 0.252 359 V C 2.004 177.998 176.094 -0.166 0.000 1.065 359 V CA 1.692 63.902 62.300 -0.150 0.000 1.086 359 V CB 0.140 31.821 31.823 -0.237 0.000 0.700 359 V HN 0.455 nan 8.190 nan 0.000 0.467 360 A N -0.786 121.920 122.820 -0.190 0.000 1.968 360 A HA -0.111 4.195 4.320 -0.024 0.000 0.217 360 A C 2.003 179.492 177.584 -0.158 0.000 1.169 360 A CA 1.732 53.660 52.037 -0.182 0.000 0.638 360 A CB -0.674 18.203 19.000 -0.205 0.000 0.812 360 A HN 0.647 nan 8.150 nan 0.000 0.446 361 F N 0.424 120.129 119.950 -0.408 0.000 2.367 361 F HA 0.090 4.603 4.527 -0.024 0.000 0.298 361 F C 1.925 177.686 175.800 -0.066 0.000 1.094 361 F CA 1.576 59.381 58.000 -0.325 0.000 1.409 361 F CB -0.010 38.644 39.000 -0.576 0.000 1.064 361 F HN 0.135 nan 8.300 nan 0.000 0.528 362 K N 0.804 121.096 120.400 -0.180 0.000 2.097 362 K HA -0.003 4.302 4.320 -0.024 0.000 0.205 362 K C 2.118 178.603 176.600 -0.192 0.000 1.050 362 K CA 1.364 57.535 56.287 -0.194 0.000 0.938 362 K CB -0.574 31.870 32.500 -0.094 0.000 0.718 362 K HN 0.223 nan 8.250 nan 0.000 0.442 363 A N -0.339 122.396 122.820 -0.141 0.000 2.014 363 A HA -0.067 4.239 4.320 -0.024 0.000 0.218 363 A C 2.045 179.568 177.584 -0.102 0.000 1.163 363 A CA 1.109 53.082 52.037 -0.106 0.000 0.652 363 A CB -0.740 18.213 19.000 -0.078 0.000 0.808 363 A HN 0.488 nan 8.150 nan 0.000 0.449 364 F N 0.329 120.119 119.950 -0.267 0.000 2.186 364 F HA -0.088 4.425 4.527 -0.024 0.000 0.299 364 F C 2.056 177.682 175.800 -0.290 0.000 1.090 364 F CA 1.642 59.489 58.000 -0.255 0.000 1.307 364 F CB -0.117 38.718 39.000 -0.274 0.000 1.019 364 F HN 0.016 nan 8.300 nan 0.000 0.489 365 V N 0.905 120.569 119.914 -0.416 0.000 2.358 365 V HA -0.290 3.816 4.120 -0.024 0.000 0.246 365 V C 2.507 178.423 176.094 -0.297 0.000 1.047 365 V CA 2.237 64.291 62.300 -0.410 0.000 1.035 365 V CB -0.684 30.908 31.823 -0.385 0.000 0.658 365 V HN 0.309 nan 8.190 nan 0.000 0.452 366 K N -0.245 120.021 120.400 -0.222 0.000 2.147 366 K HA -0.236 4.070 4.320 -0.024 0.000 0.205 366 K C 2.008 178.537 176.600 -0.118 0.000 1.049 366 K CA 1.638 57.841 56.287 -0.140 0.000 0.936 366 K CB -0.242 32.193 32.500 -0.108 0.000 0.722 366 K HN 0.598 nan 8.250 nan 0.000 0.446 367 D N 0.463 120.754 120.400 -0.183 0.000 2.103 367 D HA -0.165 4.460 4.640 -0.024 0.000 0.199 367 D C 2.018 178.227 176.300 -0.152 0.000 0.978 367 D CA 0.711 54.634 54.000 -0.127 0.000 0.829 367 D CB 0.156 40.853 40.800 -0.172 0.000 0.981 367 D HN 0.152 nan 8.370 nan 0.000 0.464 368 L N 1.104 122.121 121.223 -0.343 0.000 2.083 368 L HA -0.119 4.206 4.340 -0.024 0.000 0.209 368 L C 2.465 179.238 176.870 -0.161 0.000 1.083 368 L CA 1.709 56.366 54.840 -0.304 0.000 0.752 368 L CB -0.878 40.915 42.059 -0.443 0.000 0.899 368 L HN 0.011 nan 8.230 nan 0.000 0.433 369 T N -1.801 112.678 114.554 -0.125 0.000 2.746 369 T HA -0.254 4.082 4.350 -0.024 0.000 0.267 369 T C 1.652 176.340 174.700 -0.020 0.000 1.039 369 T CA 1.800 63.864 62.100 -0.061 0.000 1.142 369 T CB -0.530 68.312 68.868 -0.043 0.000 0.866 369 T HN 0.453 nan 8.240 nan 0.000 0.444 370 Y N 1.408 121.645 120.300 -0.106 0.000 2.439 370 Y HA 0.016 4.551 4.550 -0.024 0.000 0.292 370 Y C 2.431 178.285 175.900 -0.076 0.000 1.130 370 Y CA 0.841 58.892 58.100 -0.082 0.000 1.254 370 Y CB -0.155 38.257 38.460 -0.079 0.000 1.000 370 Y HN 0.057 nan 8.280 nan 0.000 0.554 371 Q N -0.104 119.574 119.800 -0.204 0.000 2.331 371 Q HA 0.045 4.370 4.340 -0.024 0.000 0.203 371 Q C 1.788 177.655 176.000 -0.222 0.000 0.944 371 Q CA 1.059 56.709 55.803 -0.254 0.000 0.892 371 Q CB -0.094 28.560 28.738 -0.139 0.000 0.983 371 Q HN 0.601 nan 8.270 nan 0.000 0.482 372 L N -0.575 120.546 121.223 -0.169 0.000 2.071 372 L HA -0.009 4.317 4.340 -0.024 0.000 0.201 372 L C 2.274 179.067 176.870 -0.128 0.000 1.076 372 L CA 1.190 55.958 54.840 -0.121 0.000 0.755 372 L CB -0.291 41.721 42.059 -0.079 0.000 0.915 372 L HN 0.248 nan 8.230 nan 0.000 0.445 373 E N 0.478 120.601 120.200 -0.128 0.000 2.118 373 E HA -0.265 4.071 4.350 -0.024 0.000 0.195 373 E C 0.979 177.495 176.600 -0.140 0.000 0.992 373 E CA 1.193 57.533 56.400 -0.099 0.000 0.804 373 E CB 0.252 29.919 29.700 -0.055 0.000 0.741 373 E HN -0.026 nan 8.360 nan 0.000 0.458 374 K N -0.536 119.713 120.400 -0.252 0.000 3.141 374 K HA 0.161 4.467 4.320 -0.024 0.000 0.248 374 K C -0.304 176.175 176.600 -0.202 0.000 1.282 374 K CA -0.028 56.106 56.287 -0.255 0.000 1.251 374 K CB 0.148 32.395 32.500 -0.421 0.000 1.533 374 K HN 0.004 nan 8.250 nan 0.000 0.409 375 S N -0.911 114.707 115.700 -0.136 0.000 2.323 375 S HA 0.092 4.547 4.470 -0.024 0.000 0.233 375 S C 0.227 174.787 174.600 -0.067 0.000 0.898 375 S CA -0.320 57.821 58.200 -0.099 0.000 1.321 375 S CB -0.052 63.085 63.200 -0.104 0.000 0.921 375 S HN 0.220 nan 8.310 nan 0.000 0.398 376 K N 3.094 123.456 120.400 -0.064 0.000 2.569 376 K HA 0.158 4.463 4.320 -0.024 0.000 0.193 376 K C 1.662 178.240 176.600 -0.037 0.000 1.026 376 K CA 0.808 57.069 56.287 -0.043 0.000 1.093 376 K CB -0.022 32.455 32.500 -0.038 0.000 0.849 376 K HN 0.590 nan 8.250 nan 0.000 0.509 377 V N -1.784 118.105 119.914 -0.042 0.000 2.667 377 V HA -0.036 4.069 4.120 -0.024 0.000 0.252 377 V C 0.944 177.023 176.094 -0.026 0.000 1.065 377 V CA 0.674 62.954 62.300 -0.033 0.000 1.083 377 V CB -0.542 31.260 31.823 -0.036 0.000 0.692 377 V HN 0.115 nan 8.190 nan 0.000 0.468 378 R N 1.995 122.478 120.500 -0.028 0.000 2.565 378 R HA 0.468 4.794 4.340 -0.024 0.000 0.286 378 R C 0.567 176.856 176.300 -0.019 0.000 1.256 378 R CA 0.226 56.313 56.100 -0.022 0.000 1.238 378 R CB 0.791 31.078 30.300 -0.022 0.000 1.153 378 R HN 0.507 nan 8.270 nan 0.000 0.553 379 G N 1.940 110.731 108.800 -0.015 0.000 2.605 379 G HA2 0.036 3.982 3.960 -0.024 0.000 0.301 379 G HA3 0.036 3.982 3.960 -0.024 0.000 0.301 379 G C 0.458 175.352 174.900 -0.009 0.000 0.881 379 G CA -0.125 44.968 45.100 -0.012 0.000 1.553 379 G HN 0.593 nan 8.290 nan 0.000 0.483 380 R N 1.357 121.851 120.500 -0.009 0.000 5.266 380 R HA 0.096 4.421 4.340 -0.024 0.000 0.074 380 R C -0.081 176.216 176.300 -0.005 0.000 0.697 380 R CA -0.216 55.880 56.100 -0.007 0.000 1.217 380 R CB 0.063 30.359 30.300 -0.007 0.000 1.389 380 R HN 0.348 nan 8.270 nan 0.000 0.392 381 K N 2.247 122.643 120.400 -0.007 0.000 2.218 381 K HA 0.242 4.548 4.320 -0.024 0.000 0.276 381 K C 0.517 177.115 176.600 -0.004 0.000 1.022 381 K CA 0.004 56.288 56.287 -0.004 0.000 0.946 381 K CB 1.102 33.598 32.500 -0.006 0.000 1.000 381 K HN 0.365 nan 8.250 nan 0.000 0.468 382 L N -0.993 120.232 121.223 0.002 0.000 3.229 382 L HA 0.463 4.789 4.340 -0.024 0.000 0.286 382 L C 0.239 177.118 176.870 0.015 0.000 1.239 382 L CA -0.637 54.206 54.840 0.006 0.000 1.035 382 L CB 0.922 42.987 42.059 0.009 0.000 1.408 382 L HN 0.410 nan 8.230 nan 0.000 0.593 383 A N 1.068 123.897 122.820 0.014 0.000 2.500 383 A HA 0.281 4.586 4.320 -0.024 0.000 0.285 383 A C 1.195 178.799 177.584 0.033 0.000 1.183 383 A CA -0.080 51.972 52.037 0.025 0.000 0.851 383 A CB -0.132 18.879 19.000 0.019 0.000 1.091 383 A HN 0.574 nan 8.150 nan 0.000 0.521 384 L N 2.195 123.449 121.223 0.052 0.000 2.156 384 L HA -0.120 4.205 4.340 -0.024 0.000 0.208 384 L C 2.545 179.469 176.870 0.089 0.000 1.095 384 L CA 1.509 56.392 54.840 0.071 0.000 0.770 384 L CB -0.301 41.818 42.059 0.100 0.000 0.914 384 L HN 0.863 nan 8.230 nan 0.000 0.439 385 K N 0.645 121.101 120.400 0.093 0.000 2.211 385 K HA -0.170 4.135 4.320 -0.024 0.000 0.204 385 K C 1.882 178.518 176.600 0.060 0.000 1.047 385 K CA 1.234 57.579 56.287 0.097 0.000 0.935 385 K CB 0.043 32.598 32.500 0.092 0.000 0.728 385 K HN 0.299 nan 8.250 nan 0.000 0.452 386 A N 0.194 123.038 122.820 0.039 0.000 2.132 386 A HA 0.092 4.397 4.320 -0.024 0.000 0.213 386 A C 1.695 179.282 177.584 0.005 0.000 1.154 386 A CA 0.437 52.484 52.037 0.017 0.000 0.753 386 A CB 0.052 19.056 19.000 0.007 0.000 0.826 386 A HN 0.260 nan 8.150 nan 0.000 0.469 387 L N -0.945 120.281 121.223 0.005 0.000 2.537 387 L HA 0.155 4.480 4.340 -0.024 0.000 0.224 387 L C 0.246 177.098 176.870 -0.030 0.000 1.065 387 L CA -0.028 54.797 54.840 -0.026 0.000 0.860 387 L CB 0.193 42.224 42.059 -0.048 0.000 1.086 387 L HN 0.009 nan 8.230 nan 0.000 0.482 388 V N 2.027 121.955 119.914 0.024 0.000 2.540 388 V HA -0.039 4.066 4.120 -0.024 0.000 0.297 388 V C 0.575 176.719 176.094 0.084 0.000 1.024 388 V CA 0.366 62.706 62.300 0.067 0.000 1.105 388 V CB 0.444 32.431 31.823 0.273 0.000 0.938 388 V HN 0.289 nan 8.190 nan 0.000 0.482 389 R N 7.339 127.865 120.500 0.043 0.000 2.230 389 R HA 0.286 4.612 4.340 -0.024 0.000 0.337 389 R C -1.971 174.463 176.300 0.223 0.000 1.063 389 R CA -1.462 54.686 56.100 0.081 0.000 0.935 389 R CB 1.046 31.360 30.300 0.023 0.000 1.121 389 R HN 0.527 nan 8.270 nan 0.000 0.486 390 P HA 0.091 nan 4.420 nan 0.000 0.258 390 P C -0.339 177.087 177.300 0.210 0.000 1.416 390 P CA 0.294 63.575 63.100 0.300 0.000 0.927 390 P CB 0.534 32.408 31.700 0.291 0.000 1.444 391 D N -0.610 119.878 120.400 0.146 0.000 2.423 391 D HA 0.095 4.720 4.640 -0.024 0.000 0.208 391 D C 1.762 178.102 176.300 0.067 0.000 1.068 391 D CA 0.022 54.074 54.000 0.088 0.000 0.860 391 D CB 0.497 41.328 40.800 0.053 0.000 0.992 391 D HN 0.005 nan 8.370 nan 0.000 0.504 392 I N 1.430 122.060 120.570 0.101 0.000 2.423 392 I HA -0.180 3.975 4.170 -0.024 0.000 0.254 392 I C 2.325 178.465 176.117 0.038 0.000 1.151 392 I CA 0.911 62.255 61.300 0.073 0.000 1.421 392 I CB -1.082 36.976 38.000 0.097 0.000 1.079 392 I HN -0.089 nan 8.210 nan 0.000 0.431 393 V N 0.068 120.005 119.914 0.037 0.000 2.535 393 V HA -0.108 3.997 4.120 -0.024 0.000 0.246 393 V C 2.414 178.487 176.094 -0.035 0.000 1.045 393 V CA 1.659 63.933 62.300 -0.043 0.000 1.058 393 V CB -1.109 30.645 31.823 -0.116 0.000 0.689 393 V HN 0.363 nan 8.190 nan 0.000 0.461 394 T N -0.584 113.965 114.554 -0.009 0.000 2.732 394 T HA -0.106 4.230 4.350 -0.024 0.000 0.261 394 T C 1.913 176.578 174.700 -0.059 0.000 1.040 394 T CA 1.157 63.246 62.100 -0.017 0.000 1.145 394 T CB -0.153 68.722 68.868 0.013 0.000 0.866 394 T HN 0.322 nan 8.240 nan 0.000 0.427 395 E N 1.227 121.388 120.200 -0.065 0.000 2.047 395 E HA -0.024 4.311 4.350 -0.024 0.000 0.191 395 E C 2.197 178.746 176.600 -0.086 0.000 0.987 395 E CA 0.814 57.139 56.400 -0.126 0.000 0.799 395 E CB -0.184 29.474 29.700 -0.069 0.000 0.752 395 E HN 0.300 nan 8.360 nan 0.000 0.449 396 R N 0.376 120.859 120.500 -0.028 0.000 2.328 396 R HA 0.089 4.414 4.340 -0.024 0.000 0.200 396 R C 1.897 178.181 176.300 -0.028 0.000 0.983 396 R CA 0.113 56.214 56.100 0.001 0.000 1.062 396 R CB -0.001 30.288 30.300 -0.017 0.000 0.956 396 R HN 0.156 nan 8.270 nan 0.000 0.479 397 I N -0.241 120.302 120.570 -0.046 0.000 4.187 397 I HA 0.019 4.175 4.170 -0.024 0.000 0.326 397 I C 1.630 177.734 176.117 -0.021 0.000 1.302 397 I CA 0.011 61.279 61.300 -0.054 0.000 1.196 397 I CB 0.187 38.154 38.000 -0.055 0.000 1.095 397 I HN 0.124 nan 8.210 nan 0.000 0.411 398 R N -1.297 119.184 120.500 -0.032 0.000 2.164 398 R HA 0.097 4.422 4.340 -0.024 0.000 0.198 398 R C 1.260 177.650 176.300 0.150 0.000 1.028 398 R CA 0.212 56.322 56.100 0.017 0.000 1.083 398 R CB -0.529 29.762 30.300 -0.015 0.000 1.026 398 R HN 0.214 nan 8.270 nan 0.000 0.514 399 H N 0.648 119.754 119.070 0.060 0.000 2.556 399 H HA 0.322 4.863 4.556 -0.024 0.000 0.273 399 H C 0.494 175.873 175.328 0.085 0.000 1.030 399 H CA 0.468 56.556 56.048 0.067 0.000 1.156 399 H CB 0.686 30.488 29.762 0.066 0.000 1.326 399 H HN 0.504 nan 8.280 nan 0.000 0.609 400 A N -0.056 122.878 122.820 0.190 0.000 2.635 400 A HA 0.221 4.526 4.320 -0.024 0.000 0.279 400 A C 1.258 178.905 177.584 0.105 0.000 1.122 400 A CA -0.183 51.953 52.037 0.165 0.000 0.965 400 A CB 0.181 19.292 19.000 0.185 0.000 1.221 400 A HN 0.268 nan 8.150 nan 0.000 0.566 401 L N -2.445 118.833 121.223 0.092 0.000 2.817 401 L HA 0.632 4.958 4.340 -0.024 0.000 0.248 401 L C 1.521 178.433 176.870 0.070 0.000 1.133 401 L CA 1.449 56.321 54.840 0.053 0.000 0.935 401 L CB 0.518 42.576 42.059 -0.002 0.000 1.266 401 L HN 0.180 nan 8.230 nan 0.000 0.535 402 A N -1.829 121.052 122.820 0.102 0.000 2.026 402 A HA 0.120 4.426 4.320 -0.024 0.000 0.198 402 A C 1.982 179.611 177.584 0.075 0.000 1.390 402 A CA 0.848 52.940 52.037 0.092 0.000 0.915 402 A CB -0.332 18.733 19.000 0.110 0.000 0.974 402 A HN 0.226 nan 8.150 nan 0.000 0.477 403 T N -0.266 114.337 114.554 0.081 0.000 2.995 403 T HA 0.321 4.657 4.350 -0.024 0.000 0.269 403 T C 0.857 175.593 174.700 0.060 0.000 1.091 403 T CA 1.889 64.023 62.100 0.057 0.000 1.128 403 T CB -0.417 68.483 68.868 0.053 0.000 0.891 403 T HN 1.782 nan 8.240 nan 0.000 0.492 404 G N 1.870 110.717 108.800 0.079 0.000 3.353 404 G HA2 -0.104 3.841 3.960 -0.024 0.000 0.682 404 G HA3 -0.104 3.841 3.960 -0.024 0.000 0.682 404 G C -0.440 174.528 174.900 0.113 0.000 1.192 404 G CA -0.415 44.734 45.100 0.082 0.000 1.111 404 G HN 0.497 nan 8.290 nan 0.000 0.493 405 N N -0.274 118.498 118.700 0.120 0.000 2.068 405 N HA -0.038 4.687 4.740 -0.024 0.000 0.244 405 N C 0.731 176.397 175.510 0.260 0.000 1.248 405 N CA 1.946 55.087 53.050 0.151 0.000 0.858 405 N CB 0.333 38.885 38.487 0.108 0.000 1.054 405 N HN 1.011 nan 8.380 nan 0.000 0.471 406 W N 1.174 122.481 121.300 0.012 0.000 4.483 406 W HA 0.177 4.822 4.660 -0.025 0.000 0.423 406 W C 1.247 177.770 176.519 0.006 0.000 3.472 406 W CA 1.125 58.476 57.345 0.010 0.000 1.137 406 W CB -0.647 28.819 29.460 0.011 0.000 2.116 406 W HN 0.299 nan 8.180 nan 0.000 0.348 407 V N 1.570 120.996 119.914 -0.813 0.000 0.629 407 V HA -0.431 3.674 4.120 -0.024 0.000 0.092 407 V C 1.650 177.513 176.094 -0.384 0.000 1.516 407 V CA 3.474 65.328 62.300 -0.742 0.000 3.288 407 V CB -2.312 29.291 31.823 -0.367 0.000 0.553 407 V HN 0.901 nan 8.190 nan 0.000 0.561 408 G N -1.409 107.327 108.800 -0.108 0.000 2.572 408 G HA2 0.401 4.347 3.960 -0.024 0.000 0.216 408 G HA3 0.401 4.347 3.960 -0.024 0.000 0.216 408 G C 1.392 176.366 174.900 0.123 0.000 1.133 408 G CA 1.664 46.767 45.100 0.005 0.000 0.791 408 G HN 2.120 nan 8.290 nan 0.000 0.538 409 G N -0.328 108.641 108.800 0.281 0.000 2.308 409 G HA2 -0.257 3.689 3.960 -0.024 0.000 0.221 409 G HA3 -0.257 3.689 3.960 -0.024 0.000 0.221 409 G C 0.576 175.605 174.900 0.216 0.000 1.032 409 G CA -0.019 45.303 45.100 0.370 0.000 0.623 409 G HN 0.489 nan 8.290 nan 0.000 0.506 410 R N 2.352 122.941 120.500 0.148 0.000 2.474 410 R HA 0.477 4.803 4.340 -0.024 0.000 0.339 410 R C 0.972 177.337 176.300 0.108 0.000 1.033 410 R CA 0.927 57.089 56.100 0.104 0.000 0.997 410 R CB -0.043 30.305 30.300 0.080 0.000 0.963 410 R HN 0.365 nan 8.270 nan 0.000 0.438 411 T N 1.425 116.032 114.554 0.088 0.000 2.795 411 T HA 0.284 4.620 4.350 -0.024 0.000 0.314 411 T C 0.870 175.612 174.700 0.069 0.000 1.069 411 T CA 0.728 62.874 62.100 0.076 0.000 1.071 411 T CB 0.276 69.169 68.868 0.042 0.000 0.988 411 T HN 0.864 nan 8.240 nan 0.000 0.543 412 G N 1.987 110.828 108.800 0.067 0.000 2.333 412 G HA2 -0.166 3.780 3.960 -0.024 0.000 0.296 412 G HA3 -0.166 3.780 3.960 -0.024 0.000 0.296 412 G C 0.516 175.460 174.900 0.073 0.000 1.059 412 G CA 0.196 45.335 45.100 0.064 0.000 1.050 412 G HN 0.781 nan 8.290 nan 0.000 0.508 413 V N 0.050 120.011 119.914 0.079 0.000 2.581 413 V HA 0.187 4.293 4.120 -0.024 0.000 0.240 413 V C 1.790 177.926 176.094 0.071 0.000 1.054 413 V CA 1.825 64.172 62.300 0.079 0.000 1.076 413 V CB 0.203 32.075 31.823 0.083 0.000 0.748 413 V HN 1.161 nan 8.190 nan 0.000 0.474 414 S N 1.045 116.787 115.700 0.069 0.000 2.429 414 S HA 0.667 5.123 4.470 -0.024 0.000 0.302 414 S C -0.602 174.035 174.600 0.062 0.000 1.115 414 S CA -0.690 57.545 58.200 0.059 0.000 1.095 414 S CB 1.387 64.626 63.200 0.065 0.000 0.987 414 S HN 0.492 nan 8.310 nan 0.000 0.474 415 Q N 1.361 121.194 119.800 0.056 0.000 2.486 415 Q HA 0.594 4.919 4.340 -0.024 0.000 0.274 415 Q C -1.029 175.002 176.000 0.052 0.000 1.076 415 Q CA -1.178 54.675 55.803 0.082 0.000 0.872 415 Q CB 1.107 29.942 28.738 0.160 0.000 1.383 415 Q HN 0.707 nan 8.270 nan 0.000 0.478 416 L N 1.423 122.689 121.223 0.073 0.000 2.331 416 L HA 0.188 4.513 4.340 -0.024 0.000 0.278 416 L C -0.652 176.244 176.870 0.043 0.000 1.106 416 L CA -0.375 54.486 54.840 0.036 0.000 0.824 416 L CB 0.566 42.642 42.059 0.029 0.000 1.142 416 L HN 0.535 nan 8.230 nan 0.000 0.443 417 L N 5.927 127.103 121.223 -0.079 0.000 2.546 417 L HA -0.001 4.325 4.340 -0.024 0.000 0.272 417 L C 0.440 177.308 176.870 -0.002 0.000 1.327 417 L CA 0.494 55.249 54.840 -0.142 0.000 1.199 417 L CB -1.001 40.845 42.059 -0.354 0.000 1.401 417 L HN 0.682 nan 8.230 nan 0.000 0.440 418 D N 2.602 123.099 120.400 0.161 0.000 2.659 418 D HA -0.206 4.419 4.640 -0.024 0.000 0.275 418 D C 0.466 176.758 176.300 -0.013 0.000 1.407 418 D CA -0.044 53.979 54.000 0.040 0.000 1.033 418 D CB 0.524 41.324 40.800 0.000 0.000 1.139 418 D HN 0.343 nan 8.370 nan 0.000 0.565 419 R N 2.736 123.201 120.500 -0.058 0.000 3.081 419 R HA 0.099 4.425 4.340 -0.024 0.000 0.280 419 R C 1.619 177.856 176.300 -0.105 0.000 1.372 419 R CA -0.087 55.984 56.100 -0.049 0.000 1.242 419 R CB -0.448 29.831 30.300 -0.036 0.000 1.316 419 R HN 0.394 nan 8.270 nan 0.000 0.585 420 T N 0.137 114.626 114.554 -0.107 0.000 2.597 420 T HA -0.202 4.134 4.350 -0.024 0.000 0.267 420 T C 0.664 175.333 174.700 -0.051 0.000 1.053 420 T CA 2.123 64.134 62.100 -0.149 0.000 1.165 420 T CB -0.198 68.560 68.868 -0.182 0.000 0.863 420 T HN 0.609 nan 8.240 nan 0.000 0.427 421 N N -2.217 116.513 118.700 0.050 0.000 2.902 421 N HA 0.209 4.934 4.740 -0.024 0.000 0.268 421 N C -0.266 175.396 175.510 0.254 0.000 1.450 421 N CA -0.825 52.332 53.050 0.180 0.000 0.819 421 N CB 0.002 38.593 38.487 0.173 0.000 1.540 421 N HN 0.102 nan 8.380 nan 0.000 0.545 422 W N 0.330 121.701 121.300 0.118 0.000 2.388 422 W HA 0.082 4.728 4.660 -0.024 0.000 0.294 422 W C 1.645 178.226 176.519 0.103 0.000 1.212 422 W CA 1.161 58.562 57.345 0.093 0.000 1.271 422 W CB -0.366 29.124 29.460 0.049 0.000 1.126 422 W HN 0.607 nan 8.180 nan 0.000 0.535 423 L N 0.409 121.774 121.223 0.235 0.000 2.083 423 L HA -0.151 4.175 4.340 -0.024 0.000 0.209 423 L C 2.574 179.427 176.870 -0.028 0.000 1.083 423 L CA 2.639 57.544 54.840 0.109 0.000 0.752 423 L CB -1.390 40.871 42.059 0.337 0.000 0.899 423 L HN -0.031 nan 8.230 nan 0.000 0.433 424 S N -0.661 115.053 115.700 0.023 0.000 2.359 424 S HA -0.280 4.175 4.470 -0.024 0.000 0.224 424 S C 2.134 176.706 174.600 -0.047 0.000 1.035 424 S CA 1.896 60.088 58.200 -0.013 0.000 1.018 424 S CB -0.474 62.729 63.200 0.004 0.000 0.876 424 S HN 0.641 nan 8.310 nan 0.000 0.448 425 M N 0.374 119.930 119.600 -0.073 0.000 2.132 425 M HA -0.047 4.419 4.480 -0.024 0.000 0.263 425 M C 2.158 178.395 176.300 -0.106 0.000 1.065 425 M CA 1.574 56.831 55.300 -0.072 0.000 1.122 425 M CB -0.449 32.066 32.600 -0.142 0.000 1.365 425 M HN 0.463 nan 8.290 nan 0.000 0.411 426 L N -0.022 121.045 121.223 -0.260 0.000 2.187 426 L HA -0.189 4.136 4.340 -0.024 0.000 0.213 426 L C 2.549 179.342 176.870 -0.128 0.000 1.100 426 L CA 1.482 56.150 54.840 -0.287 0.000 0.765 426 L CB -0.221 41.526 42.059 -0.519 0.000 0.904 426 L HN 0.429 nan 8.230 nan 0.000 0.437 427 S N -1.651 114.003 115.700 -0.078 0.000 2.395 427 S HA -0.230 4.225 4.470 -0.024 0.000 0.225 427 S C 1.938 176.568 174.600 0.050 0.000 1.027 427 S CA 0.936 59.121 58.200 -0.025 0.000 0.965 427 S CB -0.318 62.861 63.200 -0.036 0.000 0.812 427 S HN 0.645 nan 8.310 nan 0.000 0.482 428 H N 0.255 119.295 119.070 -0.049 0.000 2.390 428 H HA 0.031 4.572 4.556 -0.024 0.000 0.298 428 H C 1.518 176.860 175.328 0.024 0.000 1.106 428 H CA 1.469 57.505 56.048 -0.020 0.000 1.297 428 H CB -0.032 29.700 29.762 -0.049 0.000 1.375 428 H HN 0.319 nan 8.280 nan 0.000 0.509 429 L N 0.240 121.553 121.223 0.150 0.000 2.610 429 L HA -0.001 4.325 4.340 -0.024 0.000 0.232 429 L C 1.359 178.334 176.870 0.176 0.000 1.149 429 L CA 0.562 55.495 54.840 0.155 0.000 0.872 429 L CB 0.095 42.199 42.059 0.075 0.000 0.992 429 L HN 0.273 nan 8.230 nan 0.000 0.447 430 R N -1.302 119.273 120.500 0.124 0.000 2.531 430 R HA 0.214 4.540 4.340 -0.024 0.000 0.316 430 R C 0.474 176.827 176.300 0.089 0.000 0.955 430 R CA -0.326 55.816 56.100 0.070 0.000 1.120 430 R CB 0.742 31.061 30.300 0.031 0.000 1.361 430 R HN 0.173 nan 8.270 nan 0.000 0.534 431 R N 1.436 122.021 120.500 0.142 0.000 2.615 431 R HA 0.246 4.572 4.340 -0.024 0.000 0.270 431 R C 0.009 176.393 176.300 0.140 0.000 1.081 431 R CA -0.037 56.136 56.100 0.121 0.000 1.154 431 R CB 1.166 31.538 30.300 0.119 0.000 1.063 431 R HN -0.095 nan 8.270 nan 0.000 0.519 432 V N -0.518 119.460 119.914 0.107 0.000 3.040 432 V HA 0.713 4.818 4.120 -0.024 0.000 0.312 432 V C -0.459 175.694 176.094 0.098 0.000 1.115 432 V CA -0.970 61.397 62.300 0.112 0.000 0.998 432 V CB 2.174 34.059 31.823 0.103 0.000 1.042 432 V HN 0.629 nan 8.190 nan 0.000 0.433 433 I N 1.391 122.020 120.570 0.098 0.000 2.656 433 I HA 0.461 4.616 4.170 -0.024 0.000 0.292 433 I C 0.162 176.321 176.117 0.071 0.000 1.144 433 I CA -0.369 60.978 61.300 0.079 0.000 1.038 433 I CB 2.382 40.428 38.000 0.077 0.000 1.244 433 I HN 0.876 nan 8.210 nan 0.000 0.420 434 S N 2.668 118.401 115.700 0.055 0.000 2.584 434 S HA 0.251 4.706 4.470 -0.024 0.000 0.270 434 S C 0.557 175.176 174.600 0.032 0.000 1.346 434 S CA 0.070 58.292 58.200 0.037 0.000 1.018 434 S CB 1.247 64.459 63.200 0.020 0.000 0.899 434 S HN 0.679 nan 8.310 nan 0.000 0.542 435 S N 1.699 117.413 115.700 0.022 0.000 3.145 435 S HA 0.322 4.777 4.470 -0.024 0.000 0.174 435 S C -0.000 174.608 174.600 0.014 0.000 0.981 435 S CA -0.484 57.730 58.200 0.024 0.000 1.620 435 S CB -0.370 62.844 63.200 0.024 0.000 0.569 435 S HN 0.656 nan 8.310 nan 0.000 0.523 436 L N 2.045 123.273 121.223 0.008 0.000 2.776 436 L HA 0.225 4.551 4.340 -0.024 0.000 0.283 436 L C 0.277 177.141 176.870 -0.010 0.000 1.194 436 L CA 0.952 55.793 54.840 0.001 0.000 0.947 436 L CB -0.672 41.387 42.059 -0.001 0.000 1.255 436 L HN 0.663 nan 8.230 nan 0.000 0.481 437 A N 5.201 128.014 122.820 -0.012 0.000 3.659 437 A HA 0.667 4.972 4.320 -0.024 0.000 0.161 437 A C 0.254 177.822 177.584 -0.028 0.000 0.887 437 A CA 0.039 52.060 52.037 -0.027 0.000 1.478 437 A CB 0.281 19.266 19.000 -0.025 0.000 2.236 437 A HN 0.663 nan 8.150 nan 0.000 0.915 438 R N -1.163 119.319 120.500 -0.029 0.000 1.827 438 R HA -0.064 4.261 4.340 -0.024 0.000 0.385 438 R C 0.967 177.248 176.300 -0.031 0.000 1.215 438 R CA 1.174 57.260 56.100 -0.023 0.000 0.985 438 R CB -1.606 28.687 30.300 -0.012 0.000 2.989 438 R HN 2.904 nan 8.270 nan 0.000 0.489 439 G N 2.059 110.836 108.800 -0.037 0.000 2.530 439 G HA2 -0.416 3.530 3.960 -0.024 0.000 0.247 439 G HA3 -0.416 3.530 3.960 -0.024 0.000 0.247 439 G C 0.156 175.022 174.900 -0.057 0.000 1.067 439 G CA 0.747 45.825 45.100 -0.037 0.000 0.650 439 G HN 0.687 nan 8.290 nan 0.000 0.531 440 Q N 1.369 121.129 119.800 -0.066 0.000 2.326 440 Q HA 0.122 4.447 4.340 -0.024 0.000 0.314 440 Q C -1.842 174.062 176.000 -0.159 0.000 1.091 440 Q CA 0.105 55.859 55.803 -0.082 0.000 0.974 440 Q CB 0.363 29.056 28.738 -0.075 0.000 1.220 440 Q HN 0.411 nan 8.270 nan 0.000 0.398 441 P HA 0.011 nan 4.420 nan 0.000 0.232 441 P C -0.865 176.144 177.300 -0.485 0.000 1.738 441 P CA 0.094 63.068 63.100 -0.209 0.000 0.948 441 P CB -0.667 31.110 31.700 0.127 0.000 1.943 442 N N 0.815 119.168 118.700 -0.577 0.000 2.399 442 N HA 0.147 4.873 4.740 -0.024 0.000 0.259 442 N C 0.060 175.166 175.510 -0.674 0.000 1.160 442 N CA -0.258 52.539 53.050 -0.421 0.000 0.946 442 N CB 0.089 38.434 38.487 -0.238 0.000 1.156 442 N HN 0.178 nan 8.380 nan 0.000 0.489 443 F N 0.410 120.374 119.950 0.023 0.000 2.815 443 F HA 0.169 4.681 4.527 -0.025 0.000 0.328 443 F C 1.508 177.328 175.800 0.033 0.000 0.982 443 F CA -0.222 57.794 58.000 0.026 0.000 1.154 443 F CB 0.232 39.245 39.000 0.021 0.000 0.980 443 F HN 0.288 nan 8.300 nan 0.000 0.603 444 E N 0.927 121.237 120.200 0.185 0.000 2.274 444 E HA 0.042 4.377 4.350 -0.024 0.000 0.194 444 E C 1.963 178.630 176.600 0.112 0.000 0.996 444 E CA 1.054 57.536 56.400 0.137 0.000 0.840 444 E CB -0.325 29.438 29.700 0.106 0.000 0.772 444 E HN 0.314 nan 8.360 nan 0.000 0.491 445 A N 0.733 123.595 122.820 0.071 0.000 2.014 445 A HA 0.117 4.422 4.320 -0.024 0.000 0.210 445 A C 1.972 179.596 177.584 0.066 0.000 1.188 445 A CA 0.179 52.246 52.037 0.051 0.000 0.731 445 A CB 0.056 19.057 19.000 0.002 0.000 0.858 445 A HN -0.003 nan 8.150 nan 0.000 0.464 446 R N 1.095 121.631 120.500 0.061 0.000 2.081 446 R HA -0.081 4.245 4.340 -0.024 0.000 0.235 446 R C -0.026 176.334 176.300 0.101 0.000 1.131 446 R CA 1.098 57.240 56.100 0.071 0.000 0.960 446 R CB -0.495 29.846 30.300 0.069 0.000 0.856 446 R HN 0.715 nan 8.270 nan 0.000 0.436 447 D N 1.324 121.796 120.400 0.120 0.000 2.389 447 D HA -0.035 4.590 4.640 -0.024 0.000 0.247 447 D C 0.144 176.513 176.300 0.115 0.000 1.128 447 D CA -0.099 53.967 54.000 0.110 0.000 0.884 447 D CB 0.882 41.743 40.800 0.101 0.000 1.194 447 D HN -0.032 nan 8.370 nan 0.000 0.441 448 L N 1.926 123.206 121.223 0.094 0.000 2.578 448 L HA -0.075 4.251 4.340 -0.024 0.000 0.279 448 L C 0.698 177.640 176.870 0.120 0.000 1.227 448 L CA 0.559 55.459 54.840 0.100 0.000 0.900 448 L CB 0.213 42.304 42.059 0.054 0.000 1.144 448 L HN 0.486 nan 8.230 nan 0.000 0.496 449 H N 3.355 122.471 119.070 0.076 0.000 2.457 449 H HA 0.144 4.686 4.556 -0.024 0.000 0.335 449 H C 0.827 176.188 175.328 0.055 0.000 1.115 449 H CA 0.214 56.303 56.048 0.069 0.000 1.219 449 H CB 2.078 31.901 29.762 0.101 0.000 1.471 449 H HN 0.805 nan 8.280 nan 0.000 0.491 450 G N 2.063 110.819 108.800 -0.073 0.000 2.475 450 G HA2 -0.312 3.634 3.960 -0.024 0.000 0.220 450 G HA3 -0.312 3.634 3.960 -0.024 0.000 0.220 450 G C 1.464 176.439 174.900 0.126 0.000 1.125 450 G CA 1.323 46.432 45.100 0.014 0.000 0.755 450 G HN 0.708 nan 8.290 nan 0.000 0.565 451 T N -1.621 113.081 114.554 0.247 0.000 3.098 451 T HA 0.001 4.337 4.350 -0.024 0.000 0.266 451 T C 2.022 176.779 174.700 0.096 0.000 1.145 451 T CA 1.161 63.333 62.100 0.121 0.000 1.092 451 T CB -0.146 68.687 68.868 -0.059 0.000 0.908 451 T HN 0.437 nan 8.240 nan 0.000 0.526 452 Q N -0.609 119.263 119.800 0.121 0.000 2.435 452 Q HA 0.060 4.386 4.340 -0.024 0.000 0.207 452 Q C 0.188 176.189 176.000 0.001 0.000 0.956 452 Q CA -0.150 55.633 55.803 -0.033 0.000 0.917 452 Q CB -0.130 28.611 28.738 0.004 0.000 0.997 452 Q HN 0.728 nan 8.270 nan 0.000 0.497 453 W N 1.660 122.906 121.300 -0.091 0.000 2.812 453 W HA 0.037 4.686 4.660 -0.018 0.000 0.366 453 W C 1.013 177.466 176.519 -0.110 0.000 1.373 453 W CA 1.827 59.113 57.345 -0.099 0.000 1.374 453 W CB -0.306 29.104 29.460 -0.083 0.000 1.500 453 W HN 0.362 nan 8.180 nan 0.000 0.568 454 G N 3.369 111.923 108.800 -0.410 0.000 2.176 454 G HA2 -0.321 3.625 3.960 -0.024 0.000 0.232 454 G HA3 -0.321 3.625 3.960 -0.024 0.000 0.232 454 G C 1.133 175.899 174.900 -0.223 0.000 0.986 454 G CA 0.347 45.205 45.100 -0.403 0.000 0.643 454 G HN 0.555 nan 8.290 nan 0.000 0.522 455 R N -1.657 118.722 120.500 -0.202 0.000 2.167 455 R HA 0.484 4.809 4.340 -0.024 0.000 0.195 455 R C 0.538 176.717 176.300 -0.203 0.000 1.027 455 R CA 0.488 56.465 56.100 -0.204 0.000 1.114 455 R CB 0.147 30.271 30.300 -0.294 0.000 1.075 455 R HN 0.345 nan 8.270 nan 0.000 0.538 456 M N 0.271 119.741 119.600 -0.217 0.000 2.436 456 M HA 0.234 4.699 4.480 -0.024 0.000 0.331 456 M C -0.789 175.426 176.300 -0.142 0.000 1.135 456 M CA -1.546 53.665 55.300 -0.148 0.000 0.987 456 M CB 1.663 34.195 32.600 -0.114 0.000 1.687 456 M HN 0.088 nan 8.290 nan 0.000 0.445 457 C N 6.031 125.268 119.300 -0.105 0.000 2.648 457 C HA 0.321 4.767 4.460 -0.024 0.000 0.419 457 C C -1.126 173.781 174.990 -0.139 0.000 1.352 457 C CA -0.939 58.008 59.018 -0.119 0.000 1.816 457 C CB -0.038 27.670 27.740 -0.053 0.000 2.598 457 C HN 0.748 nan 8.230 nan 0.000 0.598 458 P HA 0.034 nan 4.420 nan 0.000 0.219 458 P C 0.957 178.085 177.300 -0.286 0.000 1.154 458 P CA 1.312 64.200 63.100 -0.353 0.000 0.826 458 P CB 0.027 31.345 31.700 -0.638 0.000 0.795 459 F N 0.073 120.001 119.950 -0.038 0.000 2.148 459 F HA 0.087 4.600 4.527 -0.023 0.000 0.285 459 F C 1.290 177.069 175.800 -0.035 0.000 1.092 459 F CA 0.112 58.083 58.000 -0.048 0.000 1.218 459 F CB -1.710 37.252 39.000 -0.064 0.000 1.059 459 F HN -0.231 nan 8.300 nan 0.000 0.490 460 E N 1.951 122.244 120.200 0.155 0.000 2.244 460 E HA -0.024 4.312 4.350 -0.024 0.000 0.243 460 E C -0.727 175.909 176.600 0.059 0.000 1.250 460 E CA 0.567 57.016 56.400 0.081 0.000 0.988 460 E CB -0.704 29.022 29.700 0.043 0.000 1.095 460 E HN 0.132 nan 8.360 nan 0.000 0.454 461 T N 3.642 118.237 114.554 0.069 0.000 3.032 461 T HA 0.285 4.620 4.350 -0.024 0.000 0.312 461 T C -2.473 172.268 174.700 0.067 0.000 1.078 461 T CA -1.262 60.875 62.100 0.061 0.000 1.028 461 T CB 2.070 70.977 68.868 0.065 0.000 1.091 461 T HN 0.174 nan 8.240 nan 0.000 0.457 462 P HA 0.318 nan 4.420 nan 0.000 0.272 462 P C -0.448 176.896 177.300 0.073 0.000 1.223 462 P CA -0.330 62.806 63.100 0.060 0.000 0.784 462 P CB 0.838 32.562 31.700 0.040 0.000 0.923 463 E N 0.166 120.416 120.200 0.083 0.000 2.345 463 E HA 0.532 4.868 4.350 -0.024 0.000 0.259 463 E C 0.906 177.542 176.600 0.060 0.000 1.117 463 E CA 0.266 56.718 56.400 0.087 0.000 0.913 463 E CB -0.024 29.736 29.700 0.101 0.000 1.057 463 E HN 0.809 nan 8.360 nan 0.000 0.432 464 G N 0.900 109.736 108.800 0.060 0.000 2.568 464 G HA2 -0.200 3.745 3.960 -0.024 0.000 0.222 464 G HA3 -0.200 3.745 3.960 -0.024 0.000 0.222 464 G C -1.883 173.041 174.900 0.039 0.000 1.321 464 G CA -0.447 44.680 45.100 0.045 0.000 0.893 464 G HN 0.527 nan 8.290 nan 0.000 0.569 465 P HA 0.034 nan 4.420 nan 0.000 0.226 465 P C 1.081 178.383 177.300 0.004 0.000 1.146 465 P CA 1.476 64.582 63.100 0.010 0.000 0.773 465 P CB -0.121 31.580 31.700 0.002 0.000 0.772 466 N N -1.931 116.779 118.700 0.017 0.000 2.235 466 N HA 0.036 4.761 4.740 -0.024 0.000 0.209 466 N C -0.047 175.482 175.510 0.030 0.000 1.122 466 N CA 0.045 53.106 53.050 0.018 0.000 0.845 466 N CB -0.142 38.357 38.487 0.021 0.000 1.004 466 N HN -0.148 nan 8.380 nan 0.000 0.499 467 S N -0.084 115.640 115.700 0.039 0.000 2.962 467 S HA 0.367 4.822 4.470 -0.024 0.000 0.320 467 S C 1.211 175.844 174.600 0.055 0.000 1.186 467 S CA 0.713 58.946 58.200 0.055 0.000 1.180 467 S CB -0.874 62.368 63.200 0.071 0.000 1.491 467 S HN 0.590 nan 8.310 nan 0.000 0.556 468 G N 3.880 112.712 108.800 0.053 0.000 2.699 468 G HA2 -0.198 3.747 3.960 -0.024 0.000 0.198 468 G HA3 -0.198 3.747 3.960 -0.024 0.000 0.198 468 G C 0.697 175.629 174.900 0.054 0.000 1.033 468 G CA 0.057 45.192 45.100 0.059 0.000 0.728 468 G HN 0.593 nan 8.290 nan 0.000 0.484 469 L N 0.801 122.046 121.223 0.037 0.000 2.291 469 L HA 0.383 4.708 4.340 -0.024 0.000 0.214 469 L C 1.225 178.121 176.870 0.044 0.000 1.120 469 L CA 1.139 55.997 54.840 0.031 0.000 0.799 469 L CB 0.185 42.250 42.059 0.009 0.000 0.925 469 L HN 0.275 nan 8.230 nan 0.000 0.446 470 V N 1.412 121.353 119.914 0.045 0.000 2.407 470 V HA 0.356 4.462 4.120 -0.024 0.000 0.291 470 V C -0.252 175.872 176.094 0.050 0.000 1.018 470 V CA -0.572 61.758 62.300 0.049 0.000 0.842 470 V CB 1.180 33.027 31.823 0.039 0.000 0.996 470 V HN 0.260 nan 8.190 nan 0.000 0.426 471 K N 5.022 125.456 120.400 0.057 0.000 1.966 471 K HA 0.691 4.997 4.320 -0.024 0.000 0.252 471 K C -1.027 175.596 176.600 0.039 0.000 1.033 471 K CA -1.189 55.127 56.287 0.048 0.000 1.000 471 K CB 1.128 33.660 32.500 0.054 0.000 1.778 471 K HN 0.537 nan 8.250 nan 0.000 0.750 472 N N -0.651 118.062 118.700 0.022 0.000 2.321 472 N HA 0.386 5.112 4.740 -0.024 0.000 0.290 472 N C -1.506 174.001 175.510 -0.005 0.000 1.212 472 N CA -0.700 52.359 53.050 0.015 0.000 0.767 472 N CB 1.600 40.091 38.487 0.007 0.000 1.494 472 N HN 0.341 nan 8.380 nan 0.000 0.479 473 L N 1.593 122.816 121.223 0.000 0.000 2.360 473 L HA 0.465 4.791 4.340 -0.024 0.000 0.276 473 L C 0.621 177.478 176.870 -0.022 0.000 1.121 473 L CA -0.405 54.426 54.840 -0.015 0.000 0.845 473 L CB 0.466 42.525 42.059 0.001 0.000 1.143 473 L HN 0.637 nan 8.230 nan 0.000 0.452 474 A N 5.189 127.976 122.820 -0.054 0.000 2.366 474 A HA 0.381 4.687 4.320 -0.024 0.000 0.249 474 A C 0.145 177.722 177.584 -0.011 0.000 1.084 474 A CA -0.512 51.488 52.037 -0.061 0.000 0.794 474 A CB 0.250 19.171 19.000 -0.133 0.000 1.034 474 A HN 0.661 nan 8.150 nan 0.000 0.491 475 L N 1.156 122.397 121.223 0.030 0.000 2.499 475 L HA 0.017 4.342 4.340 -0.024 0.000 0.281 475 L C 0.721 177.592 176.870 0.001 0.000 1.234 475 L CA 0.379 55.294 54.840 0.125 0.000 0.839 475 L CB -0.059 42.157 42.059 0.262 0.000 1.104 475 L HN 0.914 nan 8.230 nan 0.000 0.500 476 M N 1.159 120.716 119.600 -0.072 0.000 2.298 476 M HA -0.216 4.249 4.480 -0.024 0.000 0.196 476 M C -0.586 175.620 176.300 -0.157 0.000 0.531 476 M CA 0.587 55.609 55.300 -0.464 0.000 0.459 476 M CB -1.103 31.079 32.600 -0.696 0.000 1.279 476 M HN 0.710 nan 8.290 nan 0.000 0.915 477 A N 1.518 124.356 122.820 0.030 0.000 2.375 477 A HA 0.637 4.942 4.320 -0.024 0.000 0.291 477 A C -0.439 177.222 177.584 0.127 0.000 1.160 477 A CA -0.521 51.550 52.037 0.056 0.000 0.747 477 A CB 1.311 20.307 19.000 -0.007 0.000 1.170 477 A HN 0.522 nan 8.150 nan 0.000 0.458 478 Q N 1.961 121.873 119.800 0.186 0.000 2.222 478 Q HA 0.645 4.971 4.340 -0.024 0.000 0.252 478 Q C -1.288 174.754 176.000 0.070 0.000 0.926 478 Q CA -0.577 55.307 55.803 0.135 0.000 0.899 478 Q CB 1.090 29.908 28.738 0.134 0.000 1.250 478 Q HN 0.712 nan 8.270 nan 0.000 0.441 479 I N 2.894 123.481 120.570 0.028 0.000 2.337 479 I HA 0.315 4.470 4.170 -0.024 0.000 0.285 479 I C 0.002 176.124 176.117 0.009 0.000 1.041 479 I CA -0.573 60.742 61.300 0.025 0.000 1.199 479 I CB 1.386 39.397 38.000 0.018 0.000 1.370 479 I HN 0.591 nan 8.210 nan 0.000 0.470 480 A N 5.891 128.719 122.820 0.014 0.000 2.548 480 A HA 0.213 4.518 4.320 -0.024 0.000 0.247 480 A C 0.173 177.756 177.584 -0.001 0.000 1.067 480 A CA -0.019 52.011 52.037 -0.012 0.000 0.757 480 A CB 0.275 19.279 19.000 0.006 0.000 0.996 480 A HN 0.634 nan 8.150 nan 0.000 0.504 481 V N 3.990 123.893 119.914 -0.019 0.000 2.614 481 V HA 0.571 4.677 4.120 -0.024 0.000 0.291 481 V C 0.957 177.053 176.094 0.004 0.000 1.049 481 V CA 0.199 62.498 62.300 -0.003 0.000 1.038 481 V CB 0.673 32.488 31.823 -0.013 0.000 0.980 481 V HN 1.226 nan 8.190 nan 0.000 0.481 482 G N 6.034 114.845 108.800 0.019 0.000 2.527 482 G HA2 0.506 4.452 3.960 -0.024 0.000 0.248 482 G HA3 0.506 4.452 3.960 -0.024 0.000 0.248 482 G C -0.593 174.316 174.900 0.015 0.000 1.231 482 G CA -0.592 44.522 45.100 0.023 0.000 0.838 482 G HN 0.871 nan 8.290 nan 0.000 0.570 483 I N 0.599 121.179 120.570 0.017 0.000 2.603 483 I HA 0.189 4.345 4.170 -0.024 0.000 0.300 483 I C -0.032 176.096 176.117 0.018 0.000 1.017 483 I CA -1.057 60.251 61.300 0.013 0.000 1.098 483 I CB 2.208 40.213 38.000 0.009 0.000 1.279 483 I HN 0.365 nan 8.210 nan 0.000 0.437 484 N N 2.930 121.638 118.700 0.014 0.000 2.492 484 N HA 0.007 4.732 4.740 -0.024 0.000 0.260 484 N C 0.879 176.399 175.510 0.016 0.000 1.215 484 N CA 0.418 53.478 53.050 0.017 0.000 0.923 484 N CB 0.898 39.393 38.487 0.013 0.000 1.092 484 N HN 0.547 nan 8.380 nan 0.000 0.448 485 E N 1.877 122.089 120.200 0.021 0.000 2.058 485 E HA -0.198 4.137 4.350 -0.024 0.000 0.194 485 E C 0.579 177.188 176.600 0.015 0.000 0.997 485 E CA 1.237 57.649 56.400 0.019 0.000 0.801 485 E CB 0.064 29.779 29.700 0.026 0.000 0.746 485 E HN 0.576 nan 8.360 nan 0.000 0.450 486 K N 0.395 120.806 120.400 0.018 0.000 2.589 486 K HA -0.027 4.279 4.320 -0.024 0.000 0.192 486 K C 1.530 178.141 176.600 0.018 0.000 1.029 486 K CA 0.126 56.427 56.287 0.023 0.000 1.031 486 K CB 0.242 32.755 32.500 0.022 0.000 0.821 486 K HN 0.140 nan 8.250 nan 0.000 0.502 487 I N -0.403 120.173 120.570 0.010 0.000 2.628 487 I HA -0.121 4.035 4.170 -0.024 0.000 0.255 487 I C 1.997 178.111 176.117 -0.005 0.000 1.119 487 I CA 0.894 62.197 61.300 0.005 0.000 1.448 487 I CB -0.599 37.403 38.000 0.003 0.000 1.133 487 I HN -0.116 nan 8.210 nan 0.000 0.438 488 V N 2.096 122.003 119.914 -0.012 0.000 2.453 488 V HA -0.195 3.910 4.120 -0.024 0.000 0.247 488 V C 2.503 178.556 176.094 -0.068 0.000 1.048 488 V CA 1.832 64.113 62.300 -0.033 0.000 1.049 488 V CB -0.803 31.005 31.823 -0.024 0.000 0.672 488 V HN 0.529 nan 8.190 nan 0.000 0.457 489 E N 0.606 120.774 120.200 -0.053 0.000 2.216 489 E HA -0.168 4.168 4.350 -0.024 0.000 0.192 489 E C 1.848 178.427 176.600 -0.035 0.000 0.988 489 E CA 0.827 57.167 56.400 -0.099 0.000 0.834 489 E CB -0.252 29.438 29.700 -0.018 0.000 0.772 489 E HN 0.490 nan 8.360 nan 0.000 0.479 490 K N 0.325 120.748 120.400 0.038 0.000 2.525 490 K HA 0.056 4.361 4.320 -0.024 0.000 0.192 490 K C 0.721 177.351 176.600 0.051 0.000 1.029 490 K CA 0.957 57.301 56.287 0.096 0.000 1.029 490 K CB 0.375 32.913 32.500 0.064 0.000 0.814 490 K HN 0.151 nan 8.250 nan 0.000 0.503 491 T N 0.169 114.710 114.554 -0.022 0.000 2.985 491 T HA 0.166 4.502 4.350 -0.024 0.000 0.254 491 T C 1.624 176.255 174.700 -0.114 0.000 1.021 491 T CA -0.175 61.899 62.100 -0.045 0.000 0.957 491 T CB 0.298 69.141 68.868 -0.042 0.000 1.047 491 T HN 0.041 nan 8.240 nan 0.000 0.511 492 L N 0.148 121.235 121.223 -0.227 0.000 2.056 492 L HA -0.015 4.310 4.340 -0.024 0.000 0.207 492 L C 1.915 178.578 176.870 -0.344 0.000 1.078 492 L CA 1.462 56.085 54.840 -0.361 0.000 0.749 492 L CB -0.620 41.115 42.059 -0.541 0.000 0.901 492 L HN 0.282 nan 8.230 nan 0.000 0.433 493 Y N 0.027 120.268 120.300 -0.098 0.000 2.639 493 Y HA -0.121 4.415 4.550 -0.024 0.000 0.297 493 Y C 2.195 178.053 175.900 -0.070 0.000 1.151 493 Y CA 0.474 58.526 58.100 -0.080 0.000 1.335 493 Y CB -0.580 37.850 38.460 -0.051 0.000 0.994 493 Y HN 0.264 nan 8.280 nan 0.000 0.548 494 E N -0.728 119.497 120.200 0.041 0.000 2.442 494 E HA 0.040 4.375 4.350 -0.024 0.000 0.195 494 E C 1.224 177.807 176.600 -0.028 0.000 1.030 494 E CA 0.345 56.753 56.400 0.014 0.000 0.869 494 E CB 0.038 29.742 29.700 0.007 0.000 0.857 494 E HN 0.506 nan 8.360 nan 0.000 0.505 495 M N -0.855 118.681 119.600 -0.106 0.000 2.405 495 M HA 0.212 4.677 4.480 -0.024 0.000 0.292 495 M C 0.737 176.863 176.300 -0.291 0.000 1.111 495 M CA 0.135 55.334 55.300 -0.168 0.000 0.979 495 M CB 1.479 33.948 32.600 -0.219 0.000 1.426 495 M HN 0.251 nan 8.290 nan 0.000 0.509 496 G N 0.272 108.978 108.800 -0.156 0.000 2.211 496 G HA2 -0.179 3.766 3.960 -0.024 0.000 0.201 496 G HA3 -0.179 3.766 3.960 -0.024 0.000 0.201 496 G C 0.014 174.945 174.900 0.052 0.000 0.997 496 G CA -0.496 44.622 45.100 0.030 0.000 0.652 496 G HN 0.227 nan 8.290 nan 0.000 0.500 497 V N 1.845 121.644 119.914 -0.192 0.000 2.458 497 V HA 0.331 4.436 4.120 -0.024 0.000 0.287 497 V C 0.887 177.130 176.094 0.249 0.000 1.009 497 V CA 0.139 62.413 62.300 -0.044 0.000 1.091 497 V CB 1.350 32.986 31.823 -0.310 0.000 0.960 497 V HN 0.285 nan 8.190 nan 0.000 0.476 498 V N 9.169 129.241 119.914 0.264 0.000 2.333 498 V HA 0.302 4.407 4.120 -0.024 0.000 0.274 498 V C -1.748 174.511 176.094 0.273 0.000 1.028 498 V CA -1.722 60.728 62.300 0.249 0.000 0.851 498 V CB 1.439 33.368 31.823 0.177 0.000 1.000 498 V HN 0.736 nan 8.190 nan 0.000 0.456 499 P HA 0.078 nan 4.420 nan 0.000 0.270 499 P C 1.138 178.538 177.300 0.166 0.000 1.223 499 P CA 0.034 63.262 63.100 0.214 0.000 0.785 499 P CB 1.091 32.825 31.700 0.057 0.000 0.923 500 V N 1.151 121.161 119.914 0.160 0.000 2.469 500 V HA -0.238 3.867 4.120 -0.024 0.000 0.251 500 V C 2.548 178.692 176.094 0.085 0.000 1.064 500 V CA 2.071 64.510 62.300 0.231 0.000 1.066 500 V CB -1.463 30.505 31.823 0.241 0.000 0.667 500 V HN 0.670 nan 8.190 nan 0.000 0.461 501 E N 0.178 120.346 120.200 -0.053 0.000 2.147 501 E HA -0.323 4.013 4.350 -0.024 0.000 0.199 501 E C 2.286 178.877 176.600 -0.015 0.000 1.005 501 E CA 1.960 58.311 56.400 -0.081 0.000 0.810 501 E CB -0.036 29.581 29.700 -0.138 0.000 0.736 501 E HN 0.779 nan 8.360 nan 0.000 0.460 502 E N -0.379 119.817 120.200 -0.007 0.000 2.051 502 E HA -0.116 4.219 4.350 -0.024 0.000 0.189 502 E C 2.073 178.667 176.600 -0.009 0.000 0.979 502 E CA 1.058 57.452 56.400 -0.011 0.000 0.803 502 E CB 0.261 29.953 29.700 -0.012 0.000 0.761 502 E HN 0.170 nan 8.360 nan 0.000 0.451 503 V N 1.937 121.853 119.914 0.004 0.000 2.759 503 V HA -0.217 3.888 4.120 -0.024 0.000 0.256 503 V C 2.306 178.372 176.094 -0.047 0.000 1.080 503 V CA 0.781 63.045 62.300 -0.060 0.000 1.101 503 V CB -0.463 31.272 31.823 -0.147 0.000 0.698 503 V HN 0.350 nan 8.190 nan 0.000 0.477 504 I N 1.337 121.922 120.570 0.024 0.000 2.286 504 I HA -0.132 4.024 4.170 -0.024 0.000 0.245 504 I C 2.323 178.436 176.117 -0.006 0.000 1.104 504 I CA 1.688 63.019 61.300 0.052 0.000 1.397 504 I CB -0.857 37.231 38.000 0.147 0.000 1.072 504 I HN 0.480 nan 8.210 nan 0.000 0.417 505 R N 0.768 121.262 120.500 -0.011 0.000 2.515 505 R HA 0.184 4.509 4.340 -0.024 0.000 0.294 505 R C 1.497 177.768 176.300 -0.048 0.000 1.021 505 R CA 0.011 56.091 56.100 -0.034 0.000 1.081 505 R CB -0.181 30.107 30.300 -0.021 0.000 1.263 505 R HN 0.071 nan 8.270 nan 0.000 0.557 506 R N 1.364 121.830 120.500 -0.057 0.000 2.466 506 R HA 0.122 4.448 4.340 -0.024 0.000 0.279 506 R C 0.223 176.473 176.300 -0.082 0.000 0.976 506 R CA -0.047 56.014 56.100 -0.065 0.000 1.081 506 R CB 0.489 30.749 30.300 -0.066 0.000 1.215 506 R HN 0.229 nan 8.270 nan 0.000 0.546 520 W N 1.583 122.914 121.300 0.053 0.000 2.632 520 W HA 0.627 5.278 4.660 -0.015 0.000 0.328 520 W C -0.237 176.360 176.519 0.129 0.000 1.044 520 W CA -0.720 56.684 57.345 0.097 0.000 1.225 520 W CB 2.136 31.634 29.460 0.063 0.000 1.396 520 W HN 0.155 nan 8.180 nan 0.000 0.499 521 S N 2.256 118.251 115.700 0.492 0.000 2.663 521 S HA -0.091 4.364 4.470 -0.024 0.000 0.854 521 S C -0.798 173.977 174.600 0.291 0.000 0.745 521 S CA -0.862 57.547 58.200 0.348 0.000 1.605 521 S CB -0.649 62.716 63.200 0.274 0.000 1.155 521 S HN 0.519 nan 8.310 nan 0.000 0.330 522 K N 2.739 123.254 120.400 0.191 0.000 2.087 522 K HA 0.693 4.998 4.320 -0.024 0.000 0.255 522 K C -0.326 176.216 176.600 -0.097 0.000 0.988 522 K CA -0.863 55.387 56.287 -0.062 0.000 0.915 522 K CB 1.452 33.894 32.500 -0.097 0.000 1.043 522 K HN 0.351 nan 8.250 nan 0.000 0.457 523 V N 3.400 123.174 119.914 -0.234 0.000 2.487 523 V HA 0.368 4.473 4.120 -0.024 0.000 0.298 523 V C -0.641 175.286 176.094 -0.278 0.000 1.028 523 V CA -0.805 61.375 62.300 -0.200 0.000 0.860 523 V CB 1.314 33.032 31.823 -0.175 0.000 0.991 523 V HN 0.540 nan 8.190 nan 0.000 0.427 524 I N 5.563 125.972 120.570 -0.269 0.000 2.569 524 I HA 0.488 4.644 4.170 -0.024 0.000 0.296 524 I C -0.739 175.305 176.117 -0.122 0.000 1.028 524 I CA -0.516 60.630 61.300 -0.256 0.000 1.082 524 I CB 2.001 39.806 38.000 -0.325 0.000 1.264 524 I HN 0.271 nan 8.210 nan 0.000 0.429 525 L N 6.771 127.962 121.223 -0.053 0.000 2.388 525 L HA 0.477 4.803 4.340 -0.024 0.000 0.267 525 L C -0.656 176.264 176.870 0.083 0.000 0.995 525 L CA -0.252 54.593 54.840 0.009 0.000 0.864 525 L CB 0.359 42.404 42.059 -0.023 0.000 1.216 525 L HN 0.748 nan 8.230 nan 0.000 0.430 526 N N 3.703 122.473 118.700 0.118 0.000 2.727 526 N HA -0.193 4.532 4.740 -0.024 0.000 0.251 526 N C 0.985 176.619 175.510 0.207 0.000 1.040 526 N CA 1.183 54.323 53.050 0.149 0.000 0.712 526 N CB -1.240 37.320 38.487 0.121 0.000 0.912 526 N HN 1.037 nan 8.380 nan 0.000 0.545 527 G N -0.490 108.453 108.800 0.238 0.000 2.160 527 G HA2 -0.359 3.587 3.960 -0.024 0.000 0.251 527 G HA3 -0.359 3.587 3.960 -0.024 0.000 0.251 527 G C -0.040 175.105 174.900 0.409 0.000 1.008 527 G CA 0.627 45.916 45.100 0.315 0.000 0.724 527 G HN 0.833 nan 8.290 nan 0.000 0.514 528 R N -0.209 120.447 120.500 0.261 0.000 2.502 528 R HA 0.607 4.933 4.340 -0.024 0.000 0.300 528 R C -0.231 175.993 176.300 -0.127 0.000 0.984 528 R CA -1.135 55.112 56.100 0.246 0.000 0.882 528 R CB 0.799 31.286 30.300 0.312 0.000 1.180 528 R HN 0.177 nan 8.270 nan 0.000 0.444 529 L N 5.608 126.547 121.223 -0.473 0.000 2.418 529 L HA 0.076 4.401 4.340 -0.024 0.000 0.274 529 L C 0.447 177.142 176.870 -0.291 0.000 1.135 529 L CA -0.086 54.368 54.840 -0.642 0.000 0.870 529 L CB 1.418 42.856 42.059 -1.034 0.000 1.154 529 L HN 0.700 nan 8.230 nan 0.000 0.462 530 V N 4.412 124.170 119.914 -0.260 0.000 2.490 530 V HA 0.365 4.471 4.120 -0.024 0.000 0.238 530 V C 0.961 176.996 176.094 -0.098 0.000 1.056 530 V CA 1.091 63.309 62.300 -0.135 0.000 1.075 530 V CB 0.624 32.342 31.823 -0.176 0.000 0.746 530 V HN 0.959 nan 8.190 nan 0.000 0.479 531 G N -2.461 106.205 108.800 -0.223 0.000 2.588 531 G HA2 0.473 4.419 3.960 -0.024 0.000 0.281 531 G HA3 0.473 4.419 3.960 -0.024 0.000 0.281 531 G C -1.923 172.682 174.900 -0.492 0.000 1.223 531 G CA -0.397 44.604 45.100 -0.165 0.000 0.871 531 G HN 0.015 nan 8.290 nan 0.000 0.492 532 Y N -1.674 118.670 120.300 0.074 0.000 2.833 532 Y HA 0.818 5.353 4.550 -0.026 0.000 0.319 532 Y C -0.769 175.248 175.900 0.196 0.000 1.254 532 Y CA -0.835 57.323 58.100 0.096 0.000 1.138 532 Y CB 2.209 40.693 38.460 0.041 0.000 1.352 532 Y HN 0.769 nan 8.280 nan 0.000 0.546 533 Y N 0.031 120.434 120.300 0.172 0.000 2.167 533 Y HA 0.189 4.724 4.550 -0.024 0.000 0.318 533 Y C -1.151 174.800 175.900 0.085 0.000 1.394 533 Y CA -1.306 56.847 58.100 0.087 0.000 1.505 533 Y CB 0.524 39.010 38.460 0.042 0.000 1.264 533 Y HN 0.699 nan 8.280 nan 0.000 0.415 534 R N 4.031 124.275 120.500 -0.426 0.000 2.641 534 R HA 0.342 4.667 4.340 -0.024 0.000 0.269 534 R C -0.758 175.262 176.300 -0.465 0.000 1.074 534 R CA 0.860 56.769 56.100 -0.318 0.000 1.133 534 R CB 0.437 30.602 30.300 -0.225 0.000 1.029 534 R HN 0.853 nan 8.270 nan 0.000 0.488 535 D N 0.874 121.172 120.400 -0.170 0.000 5.148 535 D HA -0.106 4.519 4.640 -0.024 0.000 0.234 535 D C 0.303 176.542 176.300 -0.103 0.000 1.348 535 D CA 1.122 55.051 54.000 -0.118 0.000 1.228 535 D CB -0.378 40.334 40.800 -0.147 0.000 0.664 535 D HN 0.801 nan 8.370 nan 0.000 0.328 536 G N 3.513 112.270 108.800 -0.071 0.000 2.494 536 G HA2 -0.095 3.850 3.960 -0.024 0.000 0.216 536 G HA3 -0.095 3.850 3.960 -0.024 0.000 0.216 536 G C 1.241 175.702 174.900 -0.733 0.000 1.140 536 G CA 0.795 45.731 45.100 -0.273 0.000 0.801 536 G HN 0.573 nan 8.290 nan 0.000 0.536 537 E N 0.613 120.475 120.200 -0.562 0.000 2.072 537 E HA -0.077 4.258 4.350 -0.024 0.000 0.191 537 E C 2.281 178.805 176.600 -0.127 0.000 0.985 537 E CA 0.890 57.090 56.400 -0.334 0.000 0.801 537 E CB -0.064 29.574 29.700 -0.104 0.000 0.750 537 E HN 0.499 nan 8.360 nan 0.000 0.452 538 E N 0.849 121.016 120.200 -0.056 0.000 2.077 538 E HA -0.158 4.177 4.350 -0.024 0.000 0.193 538 E C 2.134 178.800 176.600 0.110 0.000 0.989 538 E CA 0.478 56.900 56.400 0.037 0.000 0.800 538 E CB -0.050 29.681 29.700 0.052 0.000 0.746 538 E HN 0.167 nan 8.360 nan 0.000 0.452 539 L N 0.663 122.007 121.223 0.201 0.000 2.131 539 L HA -0.154 4.171 4.340 -0.024 0.000 0.210 539 L C 2.198 179.088 176.870 0.034 0.000 1.092 539 L CA 1.578 56.516 54.840 0.164 0.000 0.759 539 L CB -0.670 41.523 42.059 0.222 0.000 0.903 539 L HN 0.073 nan 8.230 nan 0.000 0.435 540 A N -0.304 122.523 122.820 0.011 0.000 1.872 540 A HA -0.185 4.120 4.320 -0.024 0.000 0.214 540 A C 2.301 179.904 177.584 0.031 0.000 1.187 540 A CA 1.234 53.284 52.037 0.022 0.000 0.614 540 A CB -0.275 18.737 19.000 0.020 0.000 0.826 540 A HN 0.352 nan 8.150 nan 0.000 0.442 541 K N -0.095 120.320 120.400 0.024 0.000 2.057 541 K HA -0.097 4.209 4.320 -0.024 0.000 0.206 541 K C 2.079 178.696 176.600 0.027 0.000 1.050 541 K CA 1.421 57.726 56.287 0.029 0.000 0.935 541 K CB -0.157 32.357 32.500 0.023 0.000 0.715 541 K HN 0.378 nan 8.250 nan 0.000 0.439 542 K N 0.775 121.192 120.400 0.028 0.000 2.032 542 K HA -0.105 4.201 4.320 -0.024 0.000 0.209 542 K C 2.036 178.640 176.600 0.007 0.000 1.048 542 K CA 1.359 57.657 56.287 0.018 0.000 0.927 542 K CB -0.146 32.365 32.500 0.019 0.000 0.712 542 K HN 0.137 nan 8.250 nan 0.000 0.441 543 I N 0.345 120.917 120.570 0.003 0.000 2.676 543 I HA -0.196 3.959 4.170 -0.024 0.000 0.259 543 I C 2.246 178.377 176.117 0.022 0.000 1.194 543 I CA 0.861 62.162 61.300 0.002 0.000 1.473 543 I CB -0.195 37.803 38.000 -0.004 0.000 1.096 543 I HN 0.104 nan 8.210 nan 0.000 0.443 544 R N 0.905 121.425 120.500 0.034 0.000 2.073 544 R HA -0.083 4.243 4.340 -0.024 0.000 0.229 544 R C 2.077 178.399 176.300 0.037 0.000 1.120 544 R CA 1.148 57.276 56.100 0.047 0.000 0.967 544 R CB -0.077 30.258 30.300 0.058 0.000 0.862 544 R HN 0.393 nan 8.270 nan 0.000 0.436 545 E N -0.087 120.129 120.200 0.026 0.000 2.216 545 E HA -0.101 4.235 4.350 -0.024 0.000 0.192 545 E C 1.961 178.570 176.600 0.015 0.000 0.988 545 E CA 0.566 56.977 56.400 0.019 0.000 0.834 545 E CB 0.147 29.856 29.700 0.015 0.000 0.772 545 E HN 0.233 nan 8.360 nan 0.000 0.479 546 R N 0.555 121.063 120.500 0.014 0.000 2.115 546 R HA 0.009 4.335 4.340 -0.024 0.000 0.226 546 R C 2.416 178.724 176.300 0.014 0.000 1.100 546 R CA 0.598 56.703 56.100 0.010 0.000 0.980 546 R CB -0.061 30.242 30.300 0.004 0.000 0.875 546 R HN -0.027 nan 8.270 nan 0.000 0.445 547 R N 1.114 121.627 120.500 0.022 0.000 2.148 547 R HA -0.074 4.252 4.340 -0.024 0.000 0.227 547 R C 1.775 178.093 176.300 0.031 0.000 1.103 547 R CA 1.291 57.409 56.100 0.030 0.000 0.983 547 R CB 0.080 30.406 30.300 0.044 0.000 0.874 547 R HN 0.169 nan 8.270 nan 0.000 0.451 548 R N -0.049 120.467 120.500 0.027 0.000 2.073 548 R HA -0.002 4.323 4.340 -0.024 0.000 0.229 548 R C 1.924 178.230 176.300 0.010 0.000 1.120 548 R CA 0.998 57.110 56.100 0.020 0.000 0.967 548 R CB 0.018 30.327 30.300 0.015 0.000 0.862 548 R HN -0.033 nan 8.270 nan 0.000 0.436 549 K N -0.592 119.813 120.400 0.008 0.000 2.459 549 K HA 0.115 4.420 4.320 -0.024 0.000 0.193 549 K C 0.996 177.598 176.600 0.003 0.000 1.030 549 K CA 0.878 57.167 56.287 0.003 0.000 1.026 549 K CB 0.511 33.013 32.500 0.002 0.000 0.809 549 K HN 0.434 nan 8.250 nan 0.000 0.504 550 G N 1.645 110.449 108.800 0.007 0.000 2.132 550 G HA2 -0.297 3.648 3.960 -0.024 0.000 0.234 550 G HA3 -0.297 3.648 3.960 -0.024 0.000 0.234 550 G C 0.759 175.661 174.900 0.004 0.000 0.989 550 G CA 0.554 45.658 45.100 0.007 0.000 0.676 550 G HN 0.414 nan 8.290 nan 0.000 0.522 551 E N -0.981 119.221 120.200 0.004 0.000 2.076 551 E HA 0.130 4.465 4.350 -0.024 0.000 0.190 551 E C 1.085 177.685 176.600 0.001 0.000 0.979 551 E CA 0.452 56.853 56.400 0.001 0.000 0.807 551 E CB 0.102 29.803 29.700 0.001 0.000 0.761 551 E HN 0.556 nan 8.360 nan 0.000 0.454 552 I N 0.171 120.742 120.570 0.002 0.000 2.577 552 I HA 0.063 4.218 4.170 -0.024 0.000 0.305 552 I C 0.009 176.130 176.117 0.007 0.000 0.986 552 I CA -0.242 61.058 61.300 0.001 0.000 1.189 552 I CB 1.662 39.661 38.000 -0.002 0.000 1.355 552 I HN -0.174 nan 8.210 nan 0.000 0.476 553 S N 3.236 118.939 115.700 0.005 0.000 2.558 553 S HA -0.052 4.403 4.470 -0.024 0.000 0.287 553 S C 0.812 175.421 174.600 0.016 0.000 1.321 553 S CA 0.050 58.254 58.200 0.007 0.000 1.048 553 S CB 0.189 63.391 63.200 0.003 0.000 0.844 553 S HN 0.689 nan 8.310 nan 0.000 0.512 554 D N 2.405 122.814 120.400 0.015 0.000 2.218 554 D HA -0.047 4.579 4.640 -0.024 0.000 0.204 554 D C 0.744 177.066 176.300 0.037 0.000 0.976 554 D CA 1.203 55.222 54.000 0.032 0.000 0.853 554 D CB 0.015 40.829 40.800 0.023 0.000 0.939 554 D HN 0.728 nan 8.370 nan 0.000 0.481 555 E N 0.139 120.349 120.200 0.016 0.000 2.511 555 E HA 0.173 4.508 4.350 -0.024 0.000 0.214 555 E C -0.715 175.905 176.600 0.032 0.000 1.062 555 E CA -0.129 56.282 56.400 0.017 0.000 1.213 555 E CB 1.127 30.820 29.700 -0.012 0.000 1.214 555 E HN -0.067 nan 8.360 nan 0.000 0.441 556 V N 1.832 121.770 119.914 0.040 0.000 2.334 556 V HA 0.206 4.312 4.120 -0.024 0.000 0.281 556 V C -0.414 175.714 176.094 0.057 0.000 1.016 556 V CA -0.891 61.432 62.300 0.039 0.000 0.832 556 V CB 1.077 32.913 31.823 0.022 0.000 0.999 556 V HN 0.274 nan 8.190 nan 0.000 0.439 557 N N 3.465 122.206 118.700 0.068 0.000 2.421 557 N HA 0.681 5.406 4.740 -0.024 0.000 0.285 557 N C -1.080 174.485 175.510 0.091 0.000 1.027 557 N CA -0.587 52.514 53.050 0.086 0.000 0.918 557 N CB 2.490 41.035 38.487 0.096 0.000 1.152 557 N HN 0.399 nan 8.380 nan 0.000 0.485 558 V N 1.057 121.029 119.914 0.098 0.000 2.487 558 V HA 0.710 4.815 4.120 -0.024 0.000 0.298 558 V C 0.306 176.486 176.094 0.142 0.000 1.028 558 V CA -0.750 61.617 62.300 0.112 0.000 0.860 558 V CB 1.670 33.544 31.823 0.084 0.000 0.991 558 V HN 0.819 nan 8.190 nan 0.000 0.427 559 G N 1.730 110.636 108.800 0.177 0.000 2.461 559 G HA2 0.568 4.513 3.960 -0.024 0.000 0.323 559 G HA3 0.568 4.513 3.960 -0.024 0.000 0.323 559 G C -1.460 173.600 174.900 0.267 0.000 1.229 559 G CA -0.513 44.701 45.100 0.190 0.000 0.941 559 G HN 0.834 nan 8.290 nan 0.000 0.477 560 H N 2.316 121.467 119.070 0.135 0.000 2.638 560 H HA 0.520 5.062 4.556 -0.023 0.000 0.317 560 H C -0.493 174.912 175.328 0.128 0.000 1.006 560 H CA -0.889 55.241 56.048 0.137 0.000 1.222 560 H CB 0.615 30.443 29.762 0.110 0.000 1.419 560 H HN 0.293 nan 8.280 nan 0.000 0.489 561 I N 7.012 127.535 120.570 -0.078 0.000 2.297 561 I HA 0.084 4.239 4.170 -0.024 0.000 0.291 561 I C 0.574 176.546 176.117 -0.242 0.000 1.033 561 I CA -0.448 60.788 61.300 -0.106 0.000 1.253 561 I CB 1.416 39.439 38.000 0.039 0.000 1.396 561 I HN 0.492 nan 8.210 nan 0.000 0.476 562 V N 4.053 123.802 119.914 -0.274 0.000 2.278 562 V HA -0.052 4.053 4.120 -0.024 0.000 0.238 562 V C 1.111 177.151 176.094 -0.088 0.000 1.039 562 V CA 1.223 63.385 62.300 -0.230 0.000 1.017 562 V CB -0.793 30.922 31.823 -0.180 0.000 0.657 562 V HN 1.025 nan 8.190 nan 0.000 0.462 563 T N 0.083 114.605 114.554 -0.054 0.000 0.541 563 T HA -0.279 4.057 4.350 -0.024 0.000 0.774 563 T C 0.410 175.054 174.700 -0.094 0.000 0.992 563 T CA 1.071 63.158 62.100 -0.022 0.000 4.077 563 T CB -1.085 67.817 68.868 0.056 0.000 2.303 563 T HN 0.569 nan 8.240 nan 0.000 0.398 564 D N -0.581 119.715 120.400 -0.173 0.000 2.455 564 D HA 0.249 4.875 4.640 -0.024 0.000 0.228 564 D C 1.651 177.591 176.300 -0.599 0.000 1.070 564 D CA 0.583 54.304 54.000 -0.466 0.000 0.881 564 D CB 0.169 40.536 40.800 -0.721 0.000 1.087 564 D HN 0.406 nan 8.370 nan 0.000 0.498 565 F N 0.861 120.787 119.950 -0.041 0.000 2.602 565 F HA 0.239 4.755 4.527 -0.018 0.000 0.284 565 F C 0.930 176.717 175.800 -0.023 0.000 1.111 565 F CA -0.253 57.723 58.000 -0.040 0.000 1.405 565 F CB 0.381 39.366 39.000 -0.024 0.000 1.121 565 F HN -0.177 nan 8.300 nan 0.000 0.603 566 I N -1.404 119.263 120.570 0.160 0.000 2.382 566 I HA 0.477 4.632 4.170 -0.024 0.000 0.286 566 I C -0.819 175.349 176.117 0.085 0.000 1.002 566 I CA -0.855 60.521 61.300 0.128 0.000 1.135 566 I CB 1.244 39.327 38.000 0.138 0.000 1.288 566 I HN -0.153 nan 8.210 nan 0.000 0.448 567 N N 5.365 124.130 118.700 0.108 0.000 2.546 567 N HA 0.393 5.119 4.740 -0.024 0.000 0.238 567 N C -1.191 174.424 175.510 0.175 0.000 0.984 567 N CA -0.242 52.879 53.050 0.119 0.000 0.935 567 N CB 0.793 39.372 38.487 0.153 0.000 1.122 567 N HN 0.792 nan 8.380 nan 0.000 0.510 568 E N 0.779 121.065 120.200 0.143 0.000 2.312 568 E HA 0.567 4.902 4.350 -0.024 0.000 0.267 568 E C -1.016 175.707 176.600 0.205 0.000 0.894 568 E CA -1.094 55.388 56.400 0.137 0.000 0.773 568 E CB 2.400 32.162 29.700 0.104 0.000 1.241 568 E HN 0.096 nan 8.360 nan 0.000 0.432 569 V N 2.432 122.411 119.914 0.109 0.000 2.447 569 V HA 0.206 4.312 4.120 -0.024 0.000 0.292 569 V C -0.760 175.327 176.094 -0.011 0.000 1.021 569 V CA -0.816 61.580 62.300 0.160 0.000 0.850 569 V CB 1.143 33.063 31.823 0.160 0.000 1.005 569 V HN 0.638 nan 8.190 nan 0.000 0.426 570 H N 3.345 122.471 119.070 0.092 0.000 2.517 570 H HA 0.487 5.027 4.556 -0.026 0.000 0.317 570 H C -0.790 174.569 175.328 0.051 0.000 1.080 570 H CA -0.313 55.772 56.048 0.063 0.000 1.301 570 H CB 2.350 32.151 29.762 0.066 0.000 1.425 570 H HN 0.402 nan 8.280 nan 0.000 0.471 571 V N 5.021 124.997 119.914 0.104 0.000 2.304 571 V HA 0.091 4.196 4.120 -0.024 0.000 0.278 571 V C -0.103 176.046 176.094 0.092 0.000 1.018 571 V CA -0.900 61.443 62.300 0.071 0.000 0.814 571 V CB 0.606 32.430 31.823 0.002 0.000 1.021 571 V HN 0.660 nan 8.190 nan 0.000 0.440 572 N N 3.080 121.847 118.700 0.112 0.000 2.456 572 N HA 0.557 5.283 4.740 -0.024 0.000 0.288 572 N C 0.213 175.770 175.510 0.078 0.000 1.059 572 N CA -0.524 52.589 53.050 0.106 0.000 0.946 572 N CB 1.589 40.143 38.487 0.112 0.000 1.150 572 N HN 0.884 nan 8.380 nan 0.000 0.479 573 C N -0.993 118.348 119.300 0.068 0.000 3.725 573 C HA 0.279 4.725 4.460 -0.024 0.000 0.294 573 C C -0.240 174.780 174.990 0.050 0.000 2.443 573 C CA -0.979 58.071 59.018 0.053 0.000 1.613 573 C CB -1.079 26.684 27.740 0.038 0.000 3.378 573 C HN 0.674 nan 8.230 nan 0.000 0.406 574 D N 1.262 121.698 120.400 0.059 0.000 2.388 574 D HA 0.347 4.972 4.640 -0.024 0.000 0.254 574 D C -0.173 176.159 176.300 0.053 0.000 1.111 574 D CA -0.037 53.997 54.000 0.056 0.000 0.993 574 D CB 1.659 42.497 40.800 0.064 0.000 1.118 574 D HN 0.180 nan 8.370 nan 0.000 0.502 575 S N -1.648 114.083 115.700 0.051 0.000 2.564 575 S HA 0.459 4.914 4.470 -0.024 0.000 0.278 575 S C 1.077 175.712 174.600 0.059 0.000 1.333 575 S CA 0.750 58.980 58.200 0.050 0.000 1.048 575 S CB -0.080 63.150 63.200 0.050 0.000 0.900 575 S HN 0.909 nan 8.310 nan 0.000 0.505 576 G N 4.123 112.959 108.800 0.060 0.000 2.253 576 G HA2 -0.178 3.768 3.960 -0.024 0.000 0.209 576 G HA3 -0.178 3.768 3.960 -0.024 0.000 0.209 576 G C 0.041 174.992 174.900 0.085 0.000 0.997 576 G CA -0.364 44.779 45.100 0.071 0.000 0.640 576 G HN 0.750 nan 8.290 nan 0.000 0.496 577 R N 0.286 120.836 120.500 0.084 0.000 2.679 577 R HA 0.436 4.761 4.340 -0.024 0.000 0.268 577 R C 0.002 176.361 176.300 0.099 0.000 1.044 577 R CA 0.176 56.337 56.100 0.103 0.000 1.105 577 R CB 1.079 31.436 30.300 0.095 0.000 0.989 577 R HN 0.108 nan 8.270 nan 0.000 0.447 578 V N 4.165 124.147 119.914 0.115 0.000 2.398 578 V HA 0.390 4.496 4.120 -0.024 0.000 0.286 578 V C 0.147 176.277 176.094 0.059 0.000 1.026 578 V CA -0.677 61.664 62.300 0.068 0.000 0.868 578 V CB 1.149 32.985 31.823 0.020 0.000 0.982 578 V HN 0.807 nan 8.190 nan 0.000 0.443 579 R N 3.587 124.135 120.500 0.081 0.000 2.854 579 R HA 0.884 5.210 4.340 -0.024 0.000 0.271 579 R C -0.730 175.644 176.300 0.124 0.000 0.994 579 R CA -1.151 55.024 56.100 0.125 0.000 0.945 579 R CB 2.214 32.639 30.300 0.207 0.000 1.194 579 R HN 0.617 nan 8.270 nan 0.000 0.476 580 R N 1.459 122.010 120.500 0.085 0.000 2.480 580 R HA 0.468 4.793 4.340 -0.024 0.000 0.306 580 R C -2.673 173.560 176.300 -0.112 0.000 0.958 580 R CA -1.880 54.214 56.100 -0.010 0.000 0.861 580 R CB 1.989 32.274 30.300 -0.026 0.000 1.171 580 R HN 0.466 nan 8.270 nan 0.000 0.445 581 P HA 0.231 nan 4.420 nan 0.000 0.287 581 P C -1.117 176.053 177.300 -0.217 0.000 1.281 581 P CA -0.185 62.623 63.100 -0.486 0.000 0.781 581 P CB 0.908 32.286 31.700 -0.538 0.000 0.903 582 L N 3.577 124.718 121.223 -0.137 0.000 2.401 582 L HA 0.494 4.820 4.340 -0.024 0.000 0.266 582 L C 0.179 177.087 176.870 0.064 0.000 0.991 582 L CA -1.357 53.481 54.840 -0.003 0.000 0.818 582 L CB 1.980 44.044 42.059 0.008 0.000 1.321 582 L HN 0.171 nan 8.230 nan 0.000 0.413 583 I N 3.160 123.765 120.570 0.059 0.000 2.618 583 I HA 0.083 4.238 4.170 -0.024 0.000 0.284 583 I C 0.322 176.476 176.117 0.061 0.000 1.146 583 I CA 0.268 61.585 61.300 0.029 0.000 1.425 583 I CB 0.512 38.517 38.000 0.007 0.000 1.383 583 I HN 0.410 nan 8.210 nan 0.000 0.562 584 I N 6.922 127.493 120.570 0.002 0.000 2.322 584 I HA 0.166 4.322 4.170 -0.024 0.000 0.292 584 I C 0.016 176.061 176.117 -0.120 0.000 1.060 584 I CA -0.338 60.899 61.300 -0.104 0.000 1.309 584 I CB 0.693 38.651 38.000 -0.070 0.000 1.415 584 I HN 0.168 nan 8.210 nan 0.000 0.492 585 V N 5.867 125.682 119.914 -0.164 0.000 2.370 585 V HA 0.286 4.392 4.120 -0.024 0.000 0.279 585 V C 0.281 176.327 176.094 -0.081 0.000 1.029 585 V CA -0.407 61.845 62.300 -0.080 0.000 0.870 585 V CB 1.711 33.519 31.823 -0.026 0.000 0.984 585 V HN 0.853 nan 8.190 nan 0.000 0.451 586 S N 4.192 119.864 115.700 -0.047 0.000 2.433 586 S HA 0.543 4.999 4.470 -0.024 0.000 0.310 586 S C 0.447 175.044 174.600 -0.005 0.000 1.097 586 S CA -0.544 57.638 58.200 -0.029 0.000 1.103 586 S CB 1.303 64.487 63.200 -0.027 0.000 0.992 586 S HN 0.777 nan 8.310 nan 0.000 0.469 587 N N 2.735 121.439 118.700 0.006 0.000 3.078 587 N HA -0.185 4.540 4.740 -0.024 0.000 0.221 587 N C 0.602 176.132 175.510 0.033 0.000 0.163 587 N CA 2.770 55.830 53.050 0.015 0.000 3.866 587 N CB -1.580 36.912 38.487 0.008 0.000 1.005 587 N HN 1.444 nan 8.380 nan 0.000 0.246 588 G N -0.559 108.258 108.800 0.028 0.000 4.918 588 G HA2 0.283 4.229 3.960 -0.024 0.000 0.220 588 G HA3 0.283 4.229 3.960 -0.024 0.000 0.220 588 G C -1.226 173.687 174.900 0.022 0.000 2.090 588 G CA -0.262 44.861 45.100 0.039 0.000 0.632 588 G HN 0.293 nan 8.290 nan 0.000 0.234 589 N N 0.576 119.282 118.700 0.010 0.000 2.287 589 N HA 0.544 5.269 4.740 -0.024 0.000 0.289 589 N C -2.430 173.076 175.510 -0.008 0.000 1.066 589 N CA -0.953 52.098 53.050 0.001 0.000 0.841 589 N CB 3.720 42.206 38.487 -0.002 0.000 1.599 589 N HN 0.048 nan 8.380 nan 0.000 0.476 590 P HA 0.383 nan 4.420 nan 0.000 0.207 590 P C -0.348 176.941 177.300 -0.018 0.000 1.109 590 P CA 0.290 63.383 63.100 -0.012 0.000 0.736 590 P CB 0.605 32.301 31.700 -0.006 0.000 0.912 591 L N -4.897 116.317 121.223 -0.015 0.000 2.470 591 L HA 0.234 4.559 4.340 -0.024 0.000 0.301 591 L C 0.608 177.469 176.870 -0.014 0.000 1.276 591 L CA -0.161 54.667 54.840 -0.020 0.000 0.644 591 L CB -1.689 40.349 42.059 -0.035 0.000 0.965 591 L HN -0.216 nan 8.230 nan 0.000 0.516 592 V N -1.430 118.481 119.914 -0.006 0.000 2.324 592 V HA -0.268 3.838 4.120 -0.024 0.000 0.250 592 V C 2.504 178.597 176.094 -0.002 0.000 1.060 592 V CA 2.817 65.117 62.300 -0.000 0.000 1.042 592 V CB -0.662 31.163 31.823 0.004 0.000 0.650 592 V HN 0.850 nan 8.190 nan 0.000 0.450 593 T N -0.278 114.273 114.554 -0.005 0.000 2.737 593 T HA -0.192 4.143 4.350 -0.024 0.000 0.265 593 T C 2.071 176.765 174.700 -0.010 0.000 1.038 593 T CA 1.564 63.660 62.100 -0.005 0.000 1.144 593 T CB -0.201 68.663 68.868 -0.006 0.000 0.866 593 T HN 0.467 nan 8.240 nan 0.000 0.434 594 R N 0.749 121.238 120.500 -0.018 0.000 2.139 594 R HA -0.028 4.297 4.340 -0.024 0.000 0.243 594 R C 2.240 178.526 176.300 -0.023 0.000 1.145 594 R CA 1.169 57.254 56.100 -0.026 0.000 0.976 594 R CB -0.171 30.104 30.300 -0.042 0.000 0.866 594 R HN 0.363 nan 8.270 nan 0.000 0.449 595 E N 0.830 121.020 120.200 -0.016 0.000 2.512 595 E HA -0.095 4.241 4.350 -0.024 0.000 0.195 595 E C 0.058 176.657 176.600 -0.002 0.000 1.083 595 E CA 0.539 56.933 56.400 -0.010 0.000 0.873 595 E CB 0.174 29.873 29.700 -0.002 0.000 0.897 595 E HN 0.269 nan 8.360 nan 0.000 0.514 596 D N -0.275 120.124 120.400 -0.002 0.000 2.201 596 D HA -0.061 4.565 4.640 -0.024 0.000 0.209 596 D C 2.043 178.344 176.300 0.002 0.000 0.961 596 D CA 0.686 54.688 54.000 0.003 0.000 0.861 596 D CB -0.192 40.610 40.800 0.003 0.000 0.997 596 D HN 0.369 nan 8.370 nan 0.000 0.486 597 I N -0.397 120.172 120.570 -0.003 0.000 2.264 597 I HA -0.212 3.944 4.170 -0.024 0.000 0.248 597 I C 1.659 177.775 176.117 -0.002 0.000 1.111 597 I CA 1.295 62.593 61.300 -0.003 0.000 1.382 597 I CB -0.337 37.658 38.000 -0.007 0.000 1.060 597 I HN -0.209 nan 8.210 nan 0.000 0.418 598 E N 1.967 122.164 120.200 -0.004 0.000 1.995 598 E HA -0.226 4.109 4.350 -0.024 0.000 0.207 598 E C 2.009 178.610 176.600 0.002 0.000 1.016 598 E CA 1.738 58.136 56.400 -0.004 0.000 0.865 598 E CB -0.417 29.275 29.700 -0.012 0.000 0.797 598 E HN 0.410 nan 8.360 nan 0.000 0.491 599 K N -0.047 120.357 120.400 0.006 0.000 1.974 599 K HA -0.336 3.969 4.320 -0.024 0.000 0.233 599 K C 1.790 178.399 176.600 0.016 0.000 1.017 599 K CA 2.145 58.441 56.287 0.016 0.000 1.030 599 K CB -0.646 31.868 32.500 0.023 0.000 0.728 599 K HN -0.007 nan 8.250 nan 0.000 0.455 600 L N 0.301 121.533 121.223 0.015 0.000 2.306 600 L HA -0.375 3.950 4.340 -0.024 0.000 0.249 600 L C 1.827 178.705 176.870 0.012 0.000 1.112 600 L CA 2.733 57.581 54.840 0.013 0.000 0.829 600 L CB -0.835 41.230 42.059 0.010 0.000 0.975 600 L HN 0.652 nan 8.230 nan 0.000 0.429 601 D N -3.796 116.609 120.400 0.009 0.000 1.924 601 D HA 0.174 4.800 4.640 -0.024 0.000 0.371 601 D C -0.414 175.889 176.300 0.005 0.000 1.086 601 D CA 1.146 55.151 54.000 0.008 0.000 0.982 601 D CB 0.815 41.620 40.800 0.007 0.000 1.872 601 D HN 0.417 nan 8.370 nan 0.000 0.543 602 S N 0.027 115.729 115.700 0.003 0.000 3.085 602 S HA 0.260 4.715 4.470 -0.024 0.000 0.251 602 S C 0.286 174.886 174.600 -0.000 0.000 0.426 602 S CA -0.226 57.975 58.200 0.001 0.000 0.738 602 S CB -0.797 62.404 63.200 0.002 0.000 0.732 602 S HN 0.265 nan 8.310 nan 0.000 0.702 603 G N 2.640 111.439 108.800 -0.002 0.000 2.803 603 G HA2 0.461 4.407 3.960 -0.024 0.000 0.177 603 G HA3 0.461 4.407 3.960 -0.024 0.000 0.177 603 G C 1.324 176.221 174.900 -0.005 0.000 1.629 603 G CA 0.078 45.176 45.100 -0.003 0.000 1.077 603 G HN 1.859 nan 8.290 nan 0.000 0.556 604 S N -0.536 115.159 115.700 -0.008 0.000 2.547 604 S HA 0.016 4.472 4.470 -0.024 0.000 0.235 604 S C 1.772 176.366 174.600 -0.010 0.000 0.980 604 S CA 0.509 58.704 58.200 -0.009 0.000 0.941 604 S CB -0.562 62.631 63.200 -0.011 0.000 0.763 604 S HN 0.556 nan 8.310 nan 0.000 0.532 605 I N 1.737 122.302 120.570 -0.010 0.000 4.884 605 I HA -0.413 3.743 4.170 -0.024 0.000 0.041 605 I C 0.087 176.201 176.117 -0.005 0.000 0.650 605 I CA 2.260 63.555 61.300 -0.008 0.000 0.416 605 I CB -1.286 36.713 38.000 -0.001 0.000 0.483 605 I HN 0.563 nan 8.210 nan 0.000 0.235 606 T N 0.173 114.734 114.554 0.012 0.000 0.561 606 T HA -0.232 4.104 4.350 -0.024 0.000 0.771 606 T C -0.170 174.564 174.700 0.057 0.000 0.992 606 T CA 0.605 62.726 62.100 0.035 0.000 4.065 606 T CB -1.043 67.837 68.868 0.020 0.000 2.296 606 T HN 0.592 nan 8.240 nan 0.000 0.396 607 F N 2.391 122.310 119.950 -0.052 0.000 2.120 607 F HA -0.157 4.356 4.527 -0.025 0.000 0.300 607 F C 1.990 177.781 175.800 -0.015 0.000 1.095 607 F CA 2.385 60.360 58.000 -0.042 0.000 1.249 607 F CB -0.069 38.893 39.000 -0.063 0.000 0.995 607 F HN 0.721 nan 8.300 nan 0.000 0.480 608 D N -0.013 120.489 120.400 0.169 0.000 2.144 608 D HA -0.188 4.438 4.640 -0.024 0.000 0.199 608 D C 1.848 178.143 176.300 -0.008 0.000 0.984 608 D CA 1.541 55.600 54.000 0.099 0.000 0.834 608 D CB -0.429 40.421 40.800 0.084 0.000 0.955 608 D HN 0.360 nan 8.370 nan 0.000 0.465 609 D N -0.243 120.142 120.400 -0.025 0.000 2.350 609 D HA -0.061 4.565 4.640 -0.024 0.000 0.216 609 D C 1.860 178.111 176.300 -0.081 0.000 0.968 609 D CA 0.213 54.188 54.000 -0.041 0.000 0.894 609 D CB 0.196 40.979 40.800 -0.027 0.000 0.909 609 D HN 0.259 nan 8.370 nan 0.000 0.520 610 L N 0.119 121.247 121.223 -0.159 0.000 2.375 610 L HA -0.054 4.271 4.340 -0.024 0.000 0.215 610 L C 2.134 178.890 176.870 -0.190 0.000 1.108 610 L CA 0.193 54.908 54.840 -0.209 0.000 0.830 610 L CB 0.409 42.255 42.059 -0.355 0.000 0.959 610 L HN -0.139 nan 8.230 nan 0.000 0.457 611 V N -0.650 119.169 119.914 -0.159 0.000 2.446 611 V HA -0.140 3.966 4.120 -0.024 0.000 0.244 611 V C 2.403 178.491 176.094 -0.011 0.000 1.039 611 V CA 1.240 63.507 62.300 -0.055 0.000 1.045 611 V CB -0.451 31.410 31.823 0.064 0.000 0.681 611 V HN 0.381 nan 8.190 nan 0.000 0.459 612 R N -0.027 120.465 120.500 -0.014 0.000 2.096 612 R HA -0.220 4.106 4.340 -0.024 0.000 0.235 612 R C 2.376 178.666 176.300 -0.016 0.000 1.127 612 R CA 1.613 57.709 56.100 -0.006 0.000 0.968 612 R CB -0.310 29.985 30.300 -0.009 0.000 0.861 612 R HN 0.456 nan 8.270 nan 0.000 0.440 613 Q N -0.303 119.477 119.800 -0.034 0.000 2.124 613 Q HA -0.089 4.236 4.340 -0.024 0.000 0.202 613 Q C 0.568 176.551 176.000 -0.028 0.000 0.977 613 Q CA 1.800 57.582 55.803 -0.035 0.000 0.850 613 Q CB 0.249 28.957 28.738 -0.051 0.000 0.901 613 Q HN 0.527 nan 8.270 nan 0.000 0.429 614 G N -0.672 108.110 108.800 -0.030 0.000 2.327 614 G HA2 -0.137 3.808 3.960 -0.024 0.000 0.159 614 G HA3 -0.137 3.808 3.960 -0.024 0.000 0.159 614 G C 0.158 175.041 174.900 -0.028 0.000 1.056 614 G CA 0.108 45.197 45.100 -0.017 0.000 0.751 614 G HN 0.135 nan 8.290 nan 0.000 0.488 615 K N -0.313 120.057 120.400 -0.050 0.000 2.562 615 K HA 0.429 4.734 4.320 -0.024 0.000 0.201 615 K C 0.292 176.848 176.600 -0.073 0.000 1.131 615 K CA 0.118 56.370 56.287 -0.058 0.000 1.059 615 K CB 0.846 33.306 32.500 -0.067 0.000 0.913 615 K HN 0.529 nan 8.250 nan 0.000 0.563 616 I N 0.875 121.400 120.570 -0.075 0.000 2.644 616 I HA 0.219 4.375 4.170 -0.024 0.000 0.291 616 I C -1.141 174.967 176.117 -0.016 0.000 1.180 616 I CA -0.602 60.648 61.300 -0.084 0.000 1.040 616 I CB 2.752 40.618 38.000 -0.223 0.000 1.255 616 I HN -0.108 nan 8.210 nan 0.000 0.422 617 E N 5.274 125.484 120.200 0.016 0.000 2.241 617 E HA 0.399 4.734 4.350 -0.024 0.000 0.263 617 E C -1.735 174.888 176.600 0.038 0.000 0.882 617 E CA -0.658 55.798 56.400 0.093 0.000 0.769 617 E CB 1.519 31.319 29.700 0.167 0.000 1.185 617 E HN 0.382 nan 8.360 nan 0.000 0.415 618 Y N 3.718 124.065 120.300 0.079 0.000 2.436 618 Y HA 0.224 4.759 4.550 -0.024 0.000 0.336 618 Y C -0.010 175.919 175.900 0.049 0.000 1.049 618 Y CA -0.026 58.115 58.100 0.069 0.000 1.294 618 Y CB 0.548 39.056 38.460 0.080 0.000 1.179 618 Y HN 0.364 nan 8.280 nan 0.000 0.520 619 L N 3.805 125.109 121.223 0.135 0.000 2.322 619 L HA 0.340 4.665 4.340 -0.024 0.000 0.281 619 L C -0.056 176.871 176.870 0.095 0.000 1.014 619 L CA -0.978 53.909 54.840 0.078 0.000 0.815 619 L CB 1.380 43.421 42.059 -0.031 0.000 1.247 619 L HN 0.553 nan 8.230 nan 0.000 0.421 620 D N 1.662 122.123 120.400 0.102 0.000 2.363 620 D HA 0.174 4.799 4.640 -0.024 0.000 0.240 620 D C 0.934 177.298 176.300 0.108 0.000 1.236 620 D CA 0.387 54.452 54.000 0.108 0.000 0.927 620 D CB 1.572 42.437 40.800 0.108 0.000 1.150 620 D HN 0.580 nan 8.370 nan 0.000 0.458 621 A N 1.525 124.426 122.820 0.135 0.000 2.067 621 A HA -0.120 4.185 4.320 -0.024 0.000 0.219 621 A C 1.890 179.607 177.584 0.221 0.000 1.158 621 A CA 1.636 53.775 52.037 0.169 0.000 0.661 621 A CB -0.516 18.621 19.000 0.228 0.000 0.801 621 A HN 0.665 nan 8.150 nan 0.000 0.452 622 E N -0.152 120.149 120.200 0.168 0.000 2.112 622 E HA -0.113 4.222 4.350 -0.024 0.000 0.190 622 E C 1.914 178.584 176.600 0.115 0.000 0.979 622 E CA 1.345 57.817 56.400 0.120 0.000 0.814 622 E CB -0.111 29.621 29.700 0.054 0.000 0.762 622 E HN 0.696 nan 8.360 nan 0.000 0.460 623 E N 0.083 120.349 120.200 0.111 0.000 2.216 623 E HA -0.140 4.196 4.350 -0.024 0.000 0.192 623 E C 1.719 178.373 176.600 0.091 0.000 0.988 623 E CA 0.622 57.087 56.400 0.109 0.000 0.834 623 E CB 0.020 29.783 29.700 0.105 0.000 0.772 623 E HN 0.266 nan 8.360 nan 0.000 0.479 624 E N 0.379 120.621 120.200 0.070 0.000 2.333 624 E HA -0.246 4.090 4.350 -0.024 0.000 0.198 624 E C 1.660 178.304 176.600 0.073 0.000 1.007 624 E CA 0.860 57.279 56.400 0.032 0.000 0.845 624 E CB 0.115 29.828 29.700 0.022 0.000 0.766 624 E HN 0.185 nan 8.360 nan 0.000 0.507 625 E N 0.932 121.198 120.200 0.110 0.000 2.049 625 E HA -0.230 4.106 4.350 -0.024 0.000 0.198 625 E C 1.450 178.119 176.600 0.114 0.000 1.007 625 E CA 2.208 58.682 56.400 0.123 0.000 0.809 625 E CB -0.139 29.642 29.700 0.134 0.000 0.749 625 E HN 0.342 nan 8.360 nan 0.000 0.450 626 N N -0.172 118.603 118.700 0.125 0.000 2.188 626 N HA -0.023 4.702 4.740 -0.024 0.000 0.184 626 N C 0.210 175.818 175.510 0.163 0.000 1.018 626 N CA 0.483 53.617 53.050 0.141 0.000 0.858 626 N CB -0.187 38.397 38.487 0.161 0.000 0.989 626 N HN 0.205 nan 8.380 nan 0.000 0.426 627 A N 0.465 123.390 122.820 0.174 0.000 2.425 627 A HA 0.096 4.402 4.320 -0.024 0.000 0.242 627 A C -0.850 176.891 177.584 0.261 0.000 1.077 627 A CA 0.273 52.461 52.037 0.251 0.000 0.781 627 A CB -0.013 19.088 19.000 0.170 0.000 1.020 627 A HN 0.385 nan 8.150 nan 0.000 0.494 628 Y N 2.027 122.424 120.300 0.161 0.000 2.488 628 Y HA 0.481 5.022 4.550 -0.015 0.000 0.330 628 Y C -0.965 175.059 175.900 0.208 0.000 1.013 628 Y CA -0.838 57.335 58.100 0.121 0.000 1.304 628 Y CB 0.930 39.433 38.460 0.070 0.000 1.098 628 Y HN 0.424 nan 8.280 nan 0.000 0.498 629 V N 5.460 125.284 119.914 -0.150 0.000 2.432 629 V HA 0.727 4.833 4.120 -0.024 0.000 0.275 629 V C 0.585 176.455 176.094 -0.374 0.000 1.043 629 V CA -0.436 61.774 62.300 -0.150 0.000 0.925 629 V CB 0.820 32.581 31.823 -0.102 0.000 0.985 629 V HN 0.898 nan 8.190 nan 0.000 0.466 630 A N 4.361 126.883 122.820 -0.498 0.000 2.340 630 A HA 0.647 4.952 4.320 -0.024 0.000 0.268 630 A C 0.893 178.266 177.584 -0.352 0.000 1.100 630 A CA -0.426 51.175 52.037 -0.726 0.000 0.803 630 A CB 0.422 18.767 19.000 -1.091 0.000 1.043 630 A HN 0.881 nan 8.150 nan 0.000 0.488 631 L N 0.201 121.253 121.223 -0.285 0.000 2.068 631 L HA 0.088 4.414 4.340 -0.024 0.000 0.204 631 L C 0.429 177.215 176.870 -0.139 0.000 1.076 631 L CA 0.854 55.591 54.840 -0.173 0.000 0.753 631 L CB -0.251 41.716 42.059 -0.153 0.000 0.910 631 L HN 0.608 nan 8.230 nan 0.000 0.439 632 E N -0.924 119.193 120.200 -0.139 0.000 2.367 632 E HA 0.241 4.576 4.350 -0.024 0.000 0.273 632 E C -2.085 174.462 176.600 -0.089 0.000 0.903 632 E CA -2.067 54.277 56.400 -0.093 0.000 0.764 632 E CB 1.226 30.887 29.700 -0.066 0.000 1.252 632 E HN -0.228 nan 8.360 nan 0.000 0.446 633 P HA -0.159 nan 4.420 nan 0.000 0.229 633 P C 1.072 178.352 177.300 -0.033 0.000 1.150 633 P CA 1.088 64.160 63.100 -0.045 0.000 0.765 633 P CB 0.198 31.886 31.700 -0.020 0.000 0.783 634 S N 0.389 116.071 115.700 -0.030 0.000 2.428 634 S HA -0.136 4.319 4.470 -0.024 0.000 0.230 634 S C 0.998 175.594 174.600 -0.007 0.000 1.014 634 S CA 1.023 59.217 58.200 -0.009 0.000 0.957 634 S CB -1.083 62.120 63.200 0.005 0.000 0.784 634 S HN 0.287 nan 8.310 nan 0.000 0.499 635 D N -0.144 120.233 120.400 -0.038 0.000 2.772 635 D HA 0.297 4.923 4.640 -0.024 0.000 0.272 635 D C 0.494 176.758 176.300 -0.060 0.000 1.314 635 D CA -0.496 53.491 54.000 -0.022 0.000 0.835 635 D CB 0.179 40.963 40.800 -0.027 0.000 1.080 635 D HN 0.255 nan 8.370 nan 0.000 0.482 636 L N 0.316 121.511 121.223 -0.047 0.000 2.629 636 L HA 0.239 4.564 4.340 -0.024 0.000 0.230 636 L C 1.440 178.442 176.870 0.221 0.000 1.151 636 L CA 0.617 55.449 54.840 -0.012 0.000 0.924 636 L CB -0.472 41.559 42.059 -0.047 0.000 1.137 636 L HN 0.086 nan 8.230 nan 0.000 0.457 637 T N 0.076 114.740 114.554 0.183 0.000 2.652 637 T HA -0.038 4.298 4.350 -0.024 0.000 0.267 637 T C -1.324 173.463 174.700 0.144 0.000 1.039 637 T CA 0.891 63.075 62.100 0.139 0.000 1.153 637 T CB -1.208 67.717 68.868 0.095 0.000 0.863 637 T HN 0.353 nan 8.240 nan 0.000 0.428 638 P HA 0.304 nan 4.420 nan 0.000 0.277 638 P C -0.623 176.668 177.300 -0.014 0.000 1.276 638 P CA -0.186 62.925 63.100 0.018 0.000 0.788 638 P CB 0.470 32.139 31.700 -0.053 0.000 1.114 639 E N 0.249 120.411 120.200 -0.063 0.000 1.774 639 E HA 0.044 4.379 4.350 -0.024 0.000 0.265 639 E C -0.119 176.497 176.600 0.027 0.000 1.207 639 E CA 0.368 56.758 56.400 -0.018 0.000 1.054 639 E CB -1.188 28.488 29.700 -0.040 0.000 1.074 639 E HN 0.245 nan 8.360 nan 0.000 0.433 640 H N 1.158 120.347 119.070 0.198 0.000 2.580 640 H HA 0.086 4.630 4.556 -0.021 0.000 0.322 640 H C 0.981 176.369 175.328 0.101 0.000 1.082 640 H CA 0.030 56.209 56.048 0.219 0.000 1.383 640 H CB 1.375 31.155 29.762 0.030 0.000 1.450 640 H HN 0.320 nan 8.280 nan 0.000 0.505 641 T N 2.565 117.272 114.554 0.255 0.000 2.812 641 T HA -0.059 4.277 4.350 -0.024 0.000 0.264 641 T C 0.167 174.712 174.700 -0.259 0.000 1.042 641 T CA 1.223 63.349 62.100 0.042 0.000 1.140 641 T CB 0.056 69.068 68.868 0.240 0.000 0.870 641 T HN 0.606 nan 8.240 nan 0.000 0.445 642 H N -1.316 117.799 119.070 0.075 0.000 2.949 642 H HA 0.739 5.280 4.556 -0.026 0.000 0.356 642 H C -1.215 174.092 175.328 -0.034 0.000 1.212 642 H CA -0.938 55.122 56.048 0.019 0.000 1.136 642 H CB 1.809 31.581 29.762 0.015 0.000 1.869 642 H HN 0.061 nan 8.280 nan 0.000 0.556 643 L N 0.963 122.239 121.223 0.089 0.000 2.410 643 L HA 0.413 4.738 4.340 -0.024 0.000 0.270 643 L C -0.765 176.123 176.870 0.030 0.000 0.983 643 L CA -0.788 54.051 54.840 -0.002 0.000 0.822 643 L CB 1.521 43.565 42.059 -0.026 0.000 1.285 643 L HN 0.524 nan 8.230 nan 0.000 0.409 644 E N 4.913 125.123 120.200 0.017 0.000 2.415 644 E HA 0.024 4.360 4.350 -0.024 0.000 0.263 644 E C 0.932 177.562 176.600 0.049 0.000 0.995 644 E CA 0.282 56.713 56.400 0.052 0.000 0.915 644 E CB 1.510 31.260 29.700 0.083 0.000 0.951 644 E HN 0.663 nan 8.360 nan 0.000 0.449 645 I N 1.033 121.638 120.570 0.059 0.000 2.133 645 I HA -0.148 4.008 4.170 -0.024 0.000 0.238 645 I C 0.694 176.944 176.117 0.221 0.000 1.074 645 I CA 1.188 62.547 61.300 0.098 0.000 1.342 645 I CB 0.061 38.095 38.000 0.057 0.000 1.053 645 I HN 0.452 nan 8.210 nan 0.000 0.404 646 W N -0.209 121.061 121.300 -0.050 0.000 2.957 646 W HA 0.326 4.972 4.660 -0.024 0.000 0.336 646 W C 0.944 177.404 176.519 -0.098 0.000 1.087 646 W CA -0.683 56.651 57.345 -0.019 0.000 1.235 646 W CB 1.580 31.081 29.460 0.069 0.000 1.399 646 W HN -0.213 nan 8.180 nan 0.000 0.480 647 S N 4.035 119.435 115.700 -0.500 0.000 2.357 647 S HA -0.058 4.397 4.470 -0.024 0.000 0.221 647 S C -1.254 172.940 174.600 -0.676 0.000 1.031 647 S CA 1.211 59.028 58.200 -0.639 0.000 0.982 647 S CB -0.956 61.683 63.200 -0.935 0.000 0.853 647 S HN 0.417 nan 8.310 nan 0.000 0.458 648 P HA 0.174 nan 4.420 nan 0.000 0.244 648 P C 0.544 177.757 177.300 -0.145 0.000 1.211 648 P CA 0.447 63.210 63.100 -0.561 0.000 0.760 648 P CB -0.228 30.779 31.700 -1.154 0.000 0.961 649 A N -0.521 122.293 122.820 -0.010 0.000 2.206 649 A HA -0.069 4.236 4.320 -0.024 0.000 0.211 649 A C 1.844 179.348 177.584 -0.134 0.000 1.158 649 A CA 0.601 52.714 52.037 0.127 0.000 0.761 649 A CB -1.107 17.969 19.000 0.126 0.000 0.801 649 A HN 0.045 nan 8.150 nan 0.000 0.473 650 I N 0.233 120.623 120.570 -0.299 0.000 2.286 650 I HA -0.111 4.044 4.170 -0.024 0.000 0.248 650 I C 1.194 177.156 176.117 -0.258 0.000 1.115 650 I CA 0.713 61.747 61.300 -0.444 0.000 1.392 650 I CB -1.211 36.470 38.000 -0.532 0.000 1.065 650 I HN 0.256 nan 8.210 nan 0.000 0.418 651 L N 0.071 121.226 121.223 -0.113 0.000 2.452 651 L HA 0.266 4.591 4.340 -0.024 0.000 0.267 651 L C 1.164 178.020 176.870 -0.022 0.000 1.188 651 L CA -0.215 54.600 54.840 -0.041 0.000 0.821 651 L CB 0.253 42.338 42.059 0.044 0.000 1.102 651 L HN 0.118 nan 8.230 nan 0.000 0.470 652 G N 0.855 109.646 108.800 -0.015 0.000 2.535 652 G HA2 0.341 4.286 3.960 -0.024 0.000 0.282 652 G HA3 0.341 4.286 3.960 -0.024 0.000 0.282 652 G C 0.875 175.780 174.900 0.008 0.000 1.350 652 G CA -0.560 44.537 45.100 -0.005 0.000 1.039 652 G HN 0.556 nan 8.290 nan 0.000 0.509 653 I N -0.306 120.262 120.570 -0.003 0.000 2.099 653 I HA -0.152 4.004 4.170 -0.024 0.000 0.239 653 I C 2.887 178.980 176.117 -0.040 0.000 1.066 653 I CA 2.176 63.462 61.300 -0.024 0.000 1.324 653 I CB -1.256 36.721 38.000 -0.038 0.000 1.037 653 I HN 0.410 nan 8.210 nan 0.000 0.401 654 T N 0.672 115.203 114.554 -0.038 0.000 2.821 654 T HA -0.041 4.294 4.350 -0.024 0.000 0.267 654 T C 2.025 176.690 174.700 -0.060 0.000 1.046 654 T CA 1.343 63.406 62.100 -0.061 0.000 1.139 654 T CB -0.546 68.297 68.868 -0.041 0.000 0.871 654 T HN 0.470 nan 8.240 nan 0.000 0.454 655 A N 1.371 124.188 122.820 -0.006 0.000 2.067 655 A HA -0.012 4.293 4.320 -0.024 0.000 0.219 655 A C 2.436 180.023 177.584 0.004 0.000 1.158 655 A CA 1.272 53.329 52.037 0.033 0.000 0.661 655 A CB -0.601 18.488 19.000 0.150 0.000 0.801 655 A HN 0.422 nan 8.150 nan 0.000 0.452 656 S N -0.520 115.175 115.700 -0.009 0.000 2.555 656 S HA 0.008 4.463 4.470 -0.024 0.000 0.230 656 S C 1.427 175.988 174.600 -0.065 0.000 0.978 656 S CA 0.623 58.822 58.200 -0.001 0.000 0.934 656 S CB -0.299 62.922 63.200 0.036 0.000 0.766 656 S HN 0.479 nan 8.310 nan 0.000 0.533 657 I N 1.470 121.961 120.570 -0.132 0.000 2.439 657 I HA 0.035 4.190 4.170 -0.024 0.000 0.251 657 I C 0.519 176.515 176.117 -0.200 0.000 1.139 657 I CA 0.539 61.709 61.300 -0.217 0.000 1.438 657 I CB -0.247 37.537 38.000 -0.360 0.000 1.085 657 I HN 0.189 nan 8.210 nan 0.000 0.427 658 I N 3.698 124.162 120.570 -0.176 0.000 2.598 658 I HA 0.061 4.217 4.170 -0.024 0.000 0.284 658 I C -2.031 173.992 176.117 -0.157 0.000 1.140 658 I CA -1.457 59.720 61.300 -0.205 0.000 1.420 658 I CB -0.053 37.834 38.000 -0.189 0.000 1.387 658 I HN -0.036 nan 8.210 nan 0.000 0.553 659 P HA 0.116 nan 4.420 nan 0.000 0.284 659 P C -0.934 176.388 177.300 0.037 0.000 1.253 659 P CA -0.332 62.671 63.100 -0.162 0.000 0.800 659 P CB 0.472 32.090 31.700 -0.137 0.000 0.961 660 Y N 0.560 120.898 120.300 0.063 0.000 3.054 660 Y HA -0.180 4.355 4.550 -0.025 0.000 0.210 660 Y C -0.962 174.965 175.900 0.044 0.000 1.212 660 Y CA 0.239 58.399 58.100 0.100 0.000 1.118 660 Y CB -2.581 36.036 38.460 0.261 0.000 1.292 660 Y HN 0.452 nan 8.280 nan 0.000 0.533 661 P HA -0.169 nan 4.420 nan 0.000 0.218 661 P C 0.682 177.923 177.300 -0.098 0.000 1.149 661 P CA 2.009 65.084 63.100 -0.041 0.000 0.817 661 P CB 0.239 31.897 31.700 -0.070 0.000 0.785 662 E N -1.171 118.884 120.200 -0.242 0.000 2.320 662 E HA -0.013 4.322 4.350 -0.024 0.000 0.189 662 E C 0.486 176.854 176.600 -0.386 0.000 1.100 662 E CA 0.227 56.425 56.400 -0.335 0.000 1.009 662 E CB -1.275 28.073 29.700 -0.588 0.000 1.145 662 E HN 0.459 nan 8.360 nan 0.000 0.454 663 H N -1.371 117.674 119.070 -0.042 0.000 3.233 663 H HA 0.292 4.834 4.556 -0.024 0.000 0.263 663 H C -0.064 175.231 175.328 -0.054 0.000 1.168 663 H CA -0.578 55.443 56.048 -0.044 0.000 1.159 663 H CB 0.589 30.326 29.762 -0.042 0.000 1.593 663 H HN 0.019 nan 8.280 nan 0.000 0.580 664 N N 0.726 119.446 118.700 0.033 0.000 2.502 664 N HA 0.118 4.843 4.740 -0.024 0.000 0.280 664 N C -0.267 175.210 175.510 -0.056 0.000 1.223 664 N CA -0.473 52.563 53.050 -0.024 0.000 0.966 664 N CB 1.138 39.597 38.487 -0.047 0.000 1.203 664 N HN 0.210 nan 8.380 nan 0.000 0.565 665 Q N -0.017 119.740 119.800 -0.073 0.000 2.306 665 Q HA 0.093 4.418 4.340 -0.024 0.000 0.241 665 Q C 1.010 176.927 176.000 -0.139 0.000 0.948 665 Q CA -0.111 55.648 55.803 -0.072 0.000 0.886 665 Q CB 1.030 29.738 28.738 -0.050 0.000 1.227 665 Q HN 0.674 nan 8.270 nan 0.000 0.457 666 S N 2.901 118.564 115.700 -0.062 0.000 2.365 666 S HA -0.089 4.367 4.470 -0.024 0.000 0.225 666 S C -0.926 173.566 174.600 -0.180 0.000 1.039 666 S CA 1.756 59.946 58.200 -0.018 0.000 1.033 666 S CB -0.731 62.526 63.200 0.095 0.000 0.887 666 S HN 0.679 nan 8.310 nan 0.000 0.447 667 P HA -0.061 nan 4.420 nan 0.000 0.219 667 P C 1.211 177.894 177.300 -1.027 0.000 1.150 667 P CA 0.928 63.724 63.100 -0.505 0.000 0.814 667 P CB -0.212 31.340 31.700 -0.247 0.000 0.787 668 R N -0.021 120.144 120.500 -0.560 0.000 2.096 668 R HA -0.054 4.272 4.340 -0.024 0.000 0.235 668 R C 1.948 178.005 176.300 -0.405 0.000 1.127 668 R CA 0.964 56.837 56.100 -0.378 0.000 0.968 668 R CB -1.240 28.990 30.300 -0.116 0.000 0.861 668 R HN 0.304 nan 8.270 nan 0.000 0.440 669 N N 0.122 118.501 118.700 -0.535 0.000 2.244 669 N HA -0.080 4.645 4.740 -0.024 0.000 0.183 669 N C 1.576 176.819 175.510 -0.445 0.000 1.016 669 N CA 1.364 54.029 53.050 -0.641 0.000 0.866 669 N CB -0.286 37.314 38.487 -1.478 0.000 0.980 669 N HN 0.202 nan 8.380 nan 0.000 0.430 670 T N 0.876 115.181 114.554 -0.415 0.000 2.821 670 T HA -0.091 4.244 4.350 -0.024 0.000 0.267 670 T C 1.525 176.191 174.700 -0.057 0.000 1.046 670 T CA 0.898 62.893 62.100 -0.176 0.000 1.139 670 T CB -0.285 68.486 68.868 -0.161 0.000 0.871 670 T HN 0.197 nan 8.240 nan 0.000 0.454 671 Y N 1.690 121.964 120.300 -0.044 0.000 2.181 671 Y HA -0.079 4.457 4.550 -0.024 0.000 0.288 671 Y C 2.730 178.602 175.900 -0.046 0.000 1.146 671 Y CA 0.440 58.519 58.100 -0.035 0.000 1.164 671 Y CB -1.264 37.173 38.460 -0.037 0.000 0.982 671 Y HN 0.187 nan 8.280 nan 0.000 0.515 672 Q N 0.213 120.041 119.800 0.046 0.000 2.124 672 Q HA -0.114 4.211 4.340 -0.024 0.000 0.202 672 Q C 2.115 178.095 176.000 -0.033 0.000 0.977 672 Q CA 2.014 57.800 55.803 -0.027 0.000 0.850 672 Q CB -0.445 28.229 28.738 -0.108 0.000 0.901 672 Q HN 0.262 nan 8.270 nan 0.000 0.429 673 S N -0.689 114.993 115.700 -0.030 0.000 2.547 673 S HA 0.077 4.532 4.470 -0.024 0.000 0.235 673 S C 1.267 175.879 174.600 0.021 0.000 0.980 673 S CA 0.697 58.896 58.200 -0.003 0.000 0.941 673 S CB -0.060 63.161 63.200 0.035 0.000 0.763 673 S HN 0.542 nan 8.310 nan 0.000 0.532 674 A N -0.643 122.203 122.820 0.044 0.000 2.324 674 A HA 0.454 4.759 4.320 -0.024 0.000 0.220 674 A C 1.641 179.257 177.584 0.054 0.000 1.209 674 A CA -0.055 52.017 52.037 0.058 0.000 0.918 674 A CB -0.042 19.015 19.000 0.094 0.000 0.959 674 A HN 0.397 nan 8.150 nan 0.000 0.507 675 M N -0.656 118.969 119.600 0.040 0.000 2.412 675 M HA 0.282 4.748 4.480 -0.024 0.000 0.263 675 M C 2.167 178.481 176.300 0.022 0.000 1.122 675 M CA 1.393 56.711 55.300 0.029 0.000 1.179 675 M CB -0.074 32.536 32.600 0.016 0.000 1.335 675 M HN 0.347 nan 8.290 nan 0.000 0.465 676 A N -0.233 122.589 122.820 0.002 0.000 2.024 676 A HA -0.190 4.115 4.320 -0.024 0.000 0.220 676 A C 2.010 179.622 177.584 0.047 0.000 1.164 676 A CA 1.695 53.737 52.037 0.009 0.000 0.643 676 A CB -0.614 18.337 19.000 -0.081 0.000 0.806 676 A HN 0.465 nan 8.150 nan 0.000 0.451 677 K N -0.807 119.612 120.400 0.030 0.000 2.432 677 K HA -0.015 4.291 4.320 -0.024 0.000 0.196 677 K C 1.728 178.359 176.600 0.052 0.000 1.038 677 K CA 0.971 57.277 56.287 0.031 0.000 0.986 677 K CB 0.025 32.527 32.500 0.004 0.000 0.782 677 K HN 0.610 nan 8.250 nan 0.000 0.485 678 Q N -0.351 119.500 119.800 0.084 0.000 2.319 678 Q HA 0.232 4.557 4.340 -0.024 0.000 0.209 678 Q C -0.078 175.990 176.000 0.113 0.000 0.884 678 Q CA -0.366 55.543 55.803 0.176 0.000 0.938 678 Q CB 0.932 29.730 28.738 0.098 0.000 1.098 678 Q HN 0.195 nan 8.270 nan 0.000 0.517 679 A N 0.886 123.750 122.820 0.072 0.000 2.448 679 A HA 0.234 4.539 4.320 -0.024 0.000 0.239 679 A C -0.320 177.293 177.584 0.050 0.000 1.080 679 A CA 0.065 52.140 52.037 0.063 0.000 0.779 679 A CB 0.258 19.350 19.000 0.154 0.000 1.026 679 A HN 0.313 nan 8.150 nan 0.000 0.499 680 L N 1.744 122.987 121.223 0.032 0.000 2.287 680 L HA 0.645 4.971 4.340 -0.024 0.000 0.287 680 L C 0.713 177.648 176.870 0.109 0.000 1.022 680 L CA -0.026 54.843 54.840 0.049 0.000 0.814 680 L CB 1.093 43.169 42.059 0.029 0.000 1.217 680 L HN 0.976 nan 8.230 nan 0.000 0.420 681 G N 2.569 111.445 108.800 0.127 0.000 2.664 681 G HA2 0.363 4.309 3.960 -0.024 0.000 0.303 681 G HA3 0.363 4.309 3.960 -0.024 0.000 0.303 681 G C -1.857 173.101 174.900 0.098 0.000 1.243 681 G CA -0.737 44.421 45.100 0.098 0.000 0.826 681 G HN 0.295 nan 8.290 nan 0.000 0.498 682 L N 1.963 123.193 121.223 0.012 0.000 2.363 682 L HA 0.405 4.731 4.340 -0.024 0.000 0.286 682 L C 1.112 177.988 176.870 0.011 0.000 1.106 682 L CA -0.564 54.231 54.840 -0.076 0.000 0.859 682 L CB 0.057 42.009 42.059 -0.177 0.000 1.223 682 L HN 0.657 nan 8.230 nan 0.000 0.446 683 Y N 3.835 124.122 120.300 -0.022 0.000 2.475 683 Y HA 0.649 5.184 4.550 -0.024 0.000 0.289 683 Y C 0.476 176.461 175.900 0.142 0.000 1.121 683 Y CA 0.009 58.177 58.100 0.114 0.000 1.257 683 Y CB -0.265 38.251 38.460 0.093 0.000 1.026 683 Y HN 0.550 nan 8.280 nan 0.000 0.555 684 A N -0.119 122.373 122.820 -0.546 0.000 2.566 684 A HA 0.744 5.050 4.320 -0.024 0.000 0.297 684 A C 0.701 178.108 177.584 -0.294 0.000 1.059 684 A CA -0.454 51.365 52.037 -0.363 0.000 0.691 684 A CB 0.562 19.355 19.000 -0.344 0.000 1.282 684 A HN 0.495 nan 8.150 nan 0.000 0.401 685 A N 1.381 124.075 122.820 -0.210 0.000 1.969 685 A HA -0.056 4.250 4.320 -0.024 0.000 0.218 685 A C 1.188 178.690 177.584 -0.137 0.000 1.169 685 A CA 1.759 53.712 52.037 -0.141 0.000 0.635 685 A CB -0.489 18.419 19.000 -0.154 0.000 0.810 685 A HN 1.159 nan 8.150 nan 0.000 0.445 686 N N -0.182 118.410 118.700 -0.181 0.000 2.327 686 N HA -0.003 4.723 4.740 -0.024 0.000 0.231 686 N C 0.793 176.119 175.510 -0.307 0.000 1.130 686 N CA 0.264 53.176 53.050 -0.230 0.000 0.845 686 N CB -0.873 37.517 38.487 -0.162 0.000 1.073 686 N HN 0.678 nan 8.380 nan 0.000 0.496 687 Y N -0.235 119.813 120.300 -0.420 0.000 2.384 687 Y HA -0.147 4.388 4.550 -0.024 0.000 0.289 687 Y C 2.221 177.913 175.900 -0.347 0.000 1.152 687 Y CA 0.974 58.760 58.100 -0.522 0.000 1.258 687 Y CB -0.476 37.467 38.460 -0.862 0.000 0.979 687 Y HN 0.114 nan 8.280 nan 0.000 0.549 688 Q N 0.692 119.837 119.800 -1.091 0.000 2.050 688 Q HA -0.102 4.223 4.340 -0.024 0.000 0.202 688 Q C 1.541 177.297 176.000 -0.406 0.000 0.980 688 Q CA 2.114 57.424 55.803 -0.822 0.000 0.840 688 Q CB -0.209 28.124 28.738 -0.675 0.000 0.898 688 Q HN 0.598 nan 8.270 nan 0.000 0.424 689 L N 0.216 121.258 121.223 -0.303 0.000 2.592 689 L HA 0.122 4.447 4.340 -0.024 0.000 0.227 689 L C 0.328 177.117 176.870 -0.134 0.000 1.127 689 L CA 0.190 54.922 54.840 -0.181 0.000 0.884 689 L CB 0.092 42.064 42.059 -0.144 0.000 1.065 689 L HN -0.022 nan 8.230 nan 0.000 0.457 690 R N -0.586 119.827 120.500 -0.145 0.000 2.707 690 R HA 0.201 4.527 4.340 -0.024 0.000 0.270 690 R C 0.561 176.820 176.300 -0.069 0.000 1.083 690 R CA 0.121 56.177 56.100 -0.074 0.000 1.182 690 R CB 0.064 30.358 30.300 -0.010 0.000 1.084 690 R HN -0.190 nan 8.270 nan 0.000 0.528 691 T N 0.890 115.422 114.554 -0.036 0.000 3.624 691 T HA 0.165 4.500 4.350 -0.024 0.000 0.244 691 T C -1.182 173.495 174.700 -0.038 0.000 1.063 691 T CA -0.629 61.449 62.100 -0.037 0.000 1.252 691 T CB -0.340 68.517 68.868 -0.018 0.000 1.021 691 T HN 0.368 nan 8.240 nan 0.000 0.590 692 D N 1.135 121.502 120.400 -0.054 0.000 2.345 692 D HA 0.267 4.892 4.640 -0.024 0.000 0.247 692 D C 1.543 177.777 176.300 -0.111 0.000 1.108 692 D CA -0.047 53.907 54.000 -0.076 0.000 0.894 692 D CB 1.375 42.112 40.800 -0.106 0.000 1.203 692 D HN 0.156 nan 8.370 nan 0.000 0.430 693 T N 1.572 116.065 114.554 -0.102 0.000 2.684 693 T HA -0.178 4.157 4.350 -0.024 0.000 0.267 693 T C 0.865 175.462 174.700 -0.172 0.000 1.036 693 T CA 1.108 63.138 62.100 -0.117 0.000 1.148 693 T CB -0.233 68.589 68.868 -0.077 0.000 0.863 693 T HN 0.538 nan 8.240 nan 0.000 0.436 694 R N 0.071 120.465 120.500 -0.176 0.000 2.604 694 R HA 0.776 5.101 4.340 -0.024 0.000 0.281 694 R C -1.769 174.364 176.300 -0.280 0.000 1.020 694 R CA -1.037 54.894 56.100 -0.283 0.000 0.899 694 R CB 1.825 32.085 30.300 -0.067 0.000 1.205 694 R HN 0.142 nan 8.270 nan 0.000 0.450 695 A N 2.086 124.660 122.820 -0.410 0.000 2.587 695 A HA 0.718 5.023 4.320 -0.024 0.000 0.293 695 A C -1.685 175.783 177.584 -0.192 0.000 1.087 695 A CA -0.810 51.044 52.037 -0.305 0.000 0.692 695 A CB 1.530 20.289 19.000 -0.402 0.000 1.291 695 A HN 0.875 nan 8.150 nan 0.000 0.407 696 H N -0.277 118.799 119.070 0.010 0.000 2.855 696 H HA 0.840 5.382 4.556 -0.024 0.000 0.363 696 H C -1.031 174.451 175.328 0.257 0.000 1.185 696 H CA -0.815 55.343 56.048 0.185 0.000 1.174 696 H CB 1.995 31.834 29.762 0.128 0.000 1.857 696 H HN 0.508 nan 8.280 nan 0.000 0.565 697 L N 2.364 123.784 121.223 0.330 0.000 2.710 697 L HA 0.254 4.580 4.340 -0.024 0.000 0.262 697 L C -1.716 175.274 176.870 0.199 0.000 0.940 697 L CA -0.657 54.285 54.840 0.170 0.000 0.944 697 L CB 1.336 43.427 42.059 0.052 0.000 1.348 697 L HN 0.511 nan 8.230 nan 0.000 0.425 698 L N 5.278 126.592 121.223 0.152 0.000 2.369 698 L HA 0.280 4.605 4.340 -0.024 0.000 0.279 698 L C 1.554 178.540 176.870 0.193 0.000 1.108 698 L CA 0.505 55.462 54.840 0.195 0.000 0.852 698 L CB 0.505 42.645 42.059 0.136 0.000 1.169 698 L HN 0.603 nan 8.230 nan 0.000 0.452 699 H N 4.655 123.757 119.070 0.054 0.000 2.319 699 H HA -0.122 4.419 4.556 -0.024 0.000 0.299 699 H C -0.426 174.752 175.328 -0.249 0.000 1.092 699 H CA 1.488 57.497 56.048 -0.064 0.000 1.302 699 H CB 0.083 29.886 29.762 0.069 0.000 1.373 699 H HN 0.478 nan 8.280 nan 0.000 0.497 700 Y N 0.851 121.222 120.300 0.118 0.000 2.646 700 Y HA 0.299 4.834 4.550 -0.024 0.000 0.334 700 Y C -2.292 173.603 175.900 -0.009 0.000 1.004 700 Y CA -3.234 54.887 58.100 0.034 0.000 1.301 700 Y CB 0.897 39.365 38.460 0.013 0.000 1.093 700 Y HN 0.076 nan 8.280 nan 0.000 0.530 701 P HA 0.346 nan 4.420 nan 0.000 0.278 701 P C -0.877 176.463 177.300 0.068 0.000 1.258 701 P CA -0.492 62.643 63.100 0.059 0.000 0.811 701 P CB 1.845 33.558 31.700 0.022 0.000 1.063 702 Q N -0.436 119.431 119.800 0.111 0.000 2.456 702 Q HA 0.432 4.758 4.340 -0.024 0.000 0.283 702 Q C -0.549 175.565 176.000 0.190 0.000 1.084 702 Q CA -0.967 54.923 55.803 0.145 0.000 0.801 702 Q CB 2.845 31.680 28.738 0.162 0.000 1.434 702 Q HN 0.311 nan 8.270 nan 0.000 0.419 703 R N 2.365 122.925 120.500 0.099 0.000 2.267 703 R HA 0.222 4.548 4.340 -0.024 0.000 0.319 703 R C -2.151 174.144 176.300 -0.008 0.000 1.067 703 R CA -1.477 54.639 56.100 0.027 0.000 0.936 703 R CB 0.520 30.824 30.300 0.006 0.000 1.006 703 R HN 0.277 nan 8.270 nan 0.000 0.452 704 P HA -0.072 nan 4.420 nan 0.000 0.259 704 P C -0.525 176.702 177.300 -0.121 0.000 1.211 704 P CA 0.471 63.312 63.100 -0.432 0.000 0.810 704 P CB 0.193 31.469 31.700 -0.707 0.000 0.815 705 L N 4.469 125.696 121.223 0.006 0.000 2.513 705 L HA 0.047 4.372 4.340 -0.024 0.000 0.272 705 L C 0.593 177.492 176.870 0.048 0.000 1.187 705 L CA -0.043 54.821 54.840 0.039 0.000 0.895 705 L CB -0.005 42.097 42.059 0.072 0.000 1.147 705 L HN 0.197 nan 8.230 nan 0.000 0.483 706 V N 3.078 123.016 119.914 0.041 0.000 3.906 706 V HA -0.203 3.902 4.120 -0.024 0.000 0.429 706 V C 0.081 176.141 176.094 -0.057 0.000 0.673 706 V CA 0.608 62.924 62.300 0.027 0.000 1.832 706 V CB -1.587 30.304 31.823 0.114 0.000 2.254 706 V HN 1.033 nan 8.190 nan 0.000 0.488 707 Q N 2.110 121.863 119.800 -0.078 0.000 2.572 707 Q HA 0.911 5.237 4.340 -0.024 0.000 0.284 707 Q C -0.424 175.505 176.000 -0.118 0.000 1.091 707 Q CA -0.791 54.951 55.803 -0.102 0.000 0.840 707 Q CB 2.500 31.194 28.738 -0.072 0.000 1.433 707 Q HN 0.485 nan 8.270 nan 0.000 0.471 708 T N -0.121 114.372 114.554 -0.103 0.000 2.940 708 T HA 0.350 4.686 4.350 -0.024 0.000 0.288 708 T C 0.740 175.383 174.700 -0.096 0.000 1.033 708 T CA -0.787 61.262 62.100 -0.085 0.000 1.033 708 T CB 1.521 70.359 68.868 -0.051 0.000 1.079 708 T HN 0.540 nan 8.240 nan 0.000 0.496 709 R N 1.003 121.417 120.500 -0.143 0.000 2.083 709 R HA -0.114 4.211 4.340 -0.024 0.000 0.237 709 R C 2.470 178.618 176.300 -0.254 0.000 1.137 709 R CA 1.501 57.381 56.100 -0.366 0.000 0.951 709 R CB -0.549 29.204 30.300 -0.912 0.000 0.851 709 R HN 0.707 nan 8.270 nan 0.000 0.434 710 A N 1.299 124.039 122.820 -0.133 0.000 2.125 710 A HA -0.101 4.204 4.320 -0.024 0.000 0.219 710 A C 2.032 179.593 177.584 -0.038 0.000 1.156 710 A CA 0.713 52.722 52.037 -0.046 0.000 0.671 710 A CB -0.396 18.626 19.000 0.036 0.000 0.794 710 A HN 0.194 nan 8.150 nan 0.000 0.459 711 L N -0.065 121.139 121.223 -0.031 0.000 2.127 711 L HA -0.205 4.121 4.340 -0.024 0.000 0.211 711 L C 1.905 178.804 176.870 0.048 0.000 1.089 711 L CA 2.672 57.516 54.840 0.006 0.000 0.757 711 L CB -0.998 41.056 42.059 -0.008 0.000 0.899 711 L HN 0.514 nan 8.230 nan 0.000 0.434 712 D N -0.642 119.774 120.400 0.027 0.000 2.103 712 D HA -0.176 4.449 4.640 -0.024 0.000 0.199 712 D C 2.258 178.591 176.300 0.056 0.000 0.978 712 D CA 0.890 54.920 54.000 0.049 0.000 0.829 712 D CB 0.243 41.073 40.800 0.050 0.000 0.981 712 D HN 0.142 nan 8.370 nan 0.000 0.464 713 I N 0.836 121.419 120.570 0.023 0.000 2.127 713 I HA -0.238 3.918 4.170 -0.024 0.000 0.241 713 I C 2.492 178.591 176.117 -0.031 0.000 1.075 713 I CA 1.018 62.296 61.300 -0.037 0.000 1.334 713 I CB -1.098 36.786 38.000 -0.193 0.000 1.040 713 I HN 0.201 nan 8.210 nan 0.000 0.405 714 I N 0.651 121.194 120.570 -0.044 0.000 2.145 714 I HA -0.300 3.855 4.170 -0.024 0.000 0.244 714 I C 1.925 178.131 176.117 0.148 0.000 1.075 714 I CA 1.912 63.209 61.300 -0.005 0.000 1.332 714 I CB -0.627 37.374 38.000 0.001 0.000 1.033 714 I HN 0.550 nan 8.210 nan 0.000 0.410 715 G N -1.670 107.283 108.800 0.255 0.000 2.192 715 G HA2 -0.316 3.629 3.960 -0.024 0.000 0.193 715 G HA3 -0.316 3.629 3.960 -0.024 0.000 0.193 715 G C 0.732 175.904 174.900 0.453 0.000 0.999 715 G CA 0.148 45.520 45.100 0.452 0.000 0.659 715 G HN 0.320 nan 8.290 nan 0.000 0.503 716 Y N 2.030 122.468 120.300 0.230 0.000 2.352 716 Y HA -0.033 4.503 4.550 -0.024 0.000 0.292 716 Y C 2.867 178.819 175.900 0.087 0.000 1.136 716 Y CA 2.720 60.925 58.100 0.175 0.000 1.227 716 Y CB 0.061 38.576 38.460 0.091 0.000 0.991 716 Y HN 0.282 nan 8.280 nan 0.000 0.545 717 T N -0.003 114.636 114.554 0.141 0.000 2.821 717 T HA -0.157 4.179 4.350 -0.024 0.000 0.267 717 T C 1.612 176.290 174.700 -0.037 0.000 1.046 717 T CA 1.455 63.577 62.100 0.036 0.000 1.139 717 T CB -0.189 68.704 68.868 0.042 0.000 0.871 717 T HN 0.365 nan 8.240 nan 0.000 0.454 718 N N 1.205 119.877 118.700 -0.047 0.000 2.207 718 N HA 0.033 4.759 4.740 -0.024 0.000 0.182 718 N C 0.769 176.167 175.510 -0.187 0.000 1.020 718 N CA 0.798 53.777 53.050 -0.117 0.000 0.858 718 N CB 0.081 38.479 38.487 -0.148 0.000 0.991 718 N HN 0.357 nan 8.380 nan 0.000 0.427 719 R N 0.856 121.220 120.500 -0.228 0.000 2.477 719 R HA 0.318 4.644 4.340 -0.024 0.000 0.285 719 R C -2.341 173.776 176.300 -0.305 0.000 1.415 719 R CA -1.239 54.704 56.100 -0.262 0.000 1.446 719 R CB 1.770 31.826 30.300 -0.408 0.000 1.110 719 R HN 0.191 nan 8.270 nan 0.000 0.590 720 P HA 0.313 nan 4.420 nan 0.000 0.297 720 P C -0.618 176.530 177.300 -0.254 0.000 1.307 720 P CA -0.562 62.176 63.100 -0.603 0.000 0.773 720 P CB 1.201 32.759 31.700 -0.236 0.000 1.265 721 A N -0.987 121.820 122.820 -0.021 0.000 3.106 721 A HA 0.654 4.959 4.320 -0.024 0.000 0.227 721 A C 0.034 177.745 177.584 0.212 0.000 0.920 721 A CA 0.195 52.329 52.037 0.161 0.000 1.088 721 A CB -0.449 18.692 19.000 0.235 0.000 1.233 721 A HN 0.802 nan 8.150 nan 0.000 0.503 722 G N 0.004 108.896 108.800 0.153 0.000 2.325 722 G HA2 0.431 4.376 3.960 -0.024 0.000 0.297 722 G HA3 0.431 4.376 3.960 -0.024 0.000 0.297 722 G C -1.805 172.955 174.900 -0.233 0.000 1.448 722 G CA -0.781 44.270 45.100 -0.082 0.000 0.838 722 G HN 0.222 nan 8.290 nan 0.000 0.579 723 N N 0.095 118.616 118.700 -0.300 0.000 2.483 723 N HA 0.449 5.174 4.740 -0.024 0.000 0.285 723 N C -0.447 175.049 175.510 -0.023 0.000 1.210 723 N CA -0.882 52.064 53.050 -0.172 0.000 0.931 723 N CB 0.836 39.093 38.487 -0.384 0.000 1.220 723 N HN 0.431 nan 8.380 nan 0.000 0.542 724 N N 0.496 119.304 118.700 0.181 0.000 2.406 724 N HA 0.357 5.082 4.740 -0.024 0.000 0.251 724 N C -0.957 174.636 175.510 0.139 0.000 1.069 724 N CA -0.125 53.075 53.050 0.249 0.000 0.947 724 N CB 1.023 39.652 38.487 0.236 0.000 1.111 724 N HN 0.515 nan 8.380 nan 0.000 0.497 725 A N 2.681 125.607 122.820 0.176 0.000 2.325 725 A HA 0.535 4.841 4.320 -0.024 0.000 0.333 725 A C 0.137 177.777 177.584 0.093 0.000 1.155 725 A CA -0.665 51.445 52.037 0.122 0.000 0.814 725 A CB 0.635 19.734 19.000 0.164 0.000 1.206 725 A HN 0.576 nan 8.150 nan 0.000 0.482 726 I N 1.540 122.137 120.570 0.045 0.000 2.436 726 I HA 0.101 4.256 4.170 -0.024 0.000 0.289 726 I C -0.150 175.944 176.117 -0.038 0.000 1.083 726 I CA 0.378 61.696 61.300 0.030 0.000 1.372 726 I CB 0.670 38.706 38.000 0.060 0.000 1.408 726 I HN 0.487 nan 8.210 nan 0.000 0.516 727 L N 8.263 129.470 121.223 -0.026 0.000 2.272 727 L HA 0.629 4.954 4.340 -0.024 0.000 0.284 727 L C 0.162 176.934 176.870 -0.163 0.000 1.045 727 L CA -0.088 54.716 54.840 -0.060 0.000 0.842 727 L CB 0.368 42.491 42.059 0.105 0.000 1.224 727 L HN 0.656 nan 8.230 nan 0.000 0.430 728 A N 4.776 127.349 122.820 -0.411 0.000 2.260 728 A HA 0.566 4.872 4.320 -0.024 0.000 0.308 728 A C -0.269 177.163 177.584 -0.253 0.000 1.254 728 A CA -0.543 51.102 52.037 -0.653 0.000 0.874 728 A CB 0.673 18.874 19.000 -1.330 0.000 1.153 728 A HN 0.440 nan 8.150 nan 0.000 0.527 729 V N 5.378 125.258 119.914 -0.057 0.000 2.162 729 V HA 0.186 4.291 4.120 -0.024 0.000 0.255 729 V C -0.178 175.898 176.094 -0.031 0.000 1.304 729 V CA 0.486 62.758 62.300 -0.046 0.000 1.198 729 V CB -1.393 30.364 31.823 -0.110 0.000 1.333 729 V HN 0.649 nan 8.190 nan 0.000 0.493 730 I N 2.502 123.058 120.570 -0.024 0.000 2.474 730 I HA 0.372 4.527 4.170 -0.024 0.000 0.294 730 I C 0.596 176.775 176.117 0.104 0.000 1.005 730 I CA -0.488 60.841 61.300 0.047 0.000 1.113 730 I CB 2.337 40.378 38.000 0.069 0.000 1.289 730 I HN 0.436 nan 8.210 nan 0.000 0.436 731 S N 5.386 121.160 115.700 0.123 0.000 3.530 731 S HA 0.369 4.824 4.470 -0.024 0.000 0.279 731 S C -0.623 174.088 174.600 0.185 0.000 1.280 731 S CA -0.434 57.860 58.200 0.157 0.000 0.946 731 S CB -0.548 62.767 63.200 0.192 0.000 1.501 731 S HN 0.447 nan 8.310 nan 0.000 0.498 732 F N 2.426 122.396 119.950 0.034 0.000 2.575 732 F HA 0.633 5.146 4.527 -0.024 0.000 0.330 732 F C 1.091 176.924 175.800 0.054 0.000 1.056 732 F CA 0.335 58.356 58.000 0.036 0.000 0.964 732 F CB 1.375 40.394 39.000 0.032 0.000 1.258 732 F HN 0.672 nan 8.300 nan 0.000 0.484 733 T N 1.506 115.496 114.554 -0.940 0.000 13.670 733 T HA -0.286 4.049 4.350 -0.024 0.000 0.415 733 T C 0.988 175.578 174.700 -0.183 0.000 1.443 733 T CA 1.924 63.724 62.100 -0.500 0.000 2.307 733 T CB -1.528 67.296 68.868 -0.072 0.000 2.689 733 T HN 1.310 nan 8.240 nan 0.000 0.291 734 G N -1.217 107.569 108.800 -0.024 0.000 2.707 734 G HA2 0.251 4.196 3.960 -0.024 0.000 0.204 734 G HA3 0.251 4.196 3.960 -0.024 0.000 0.204 734 G C 0.816 175.633 174.900 -0.138 0.000 1.435 734 G CA 1.724 46.550 45.100 -0.457 0.000 0.890 734 G HN 0.931 nan 8.290 nan 0.000 0.552 735 Y N -1.420 118.861 120.300 -0.033 0.000 2.980 735 Y HA 0.024 4.560 4.550 -0.024 0.000 0.345 735 Y C 0.520 176.407 175.900 -0.021 0.000 0.904 735 Y CA -0.030 58.053 58.100 -0.028 0.000 0.897 735 Y CB -0.502 37.946 38.460 -0.022 0.000 1.369 735 Y HN 0.531 nan 8.280 nan 0.000 0.516 736 N N 0.380 119.171 118.700 0.151 0.000 2.761 736 N HA 0.436 5.162 4.740 -0.024 0.000 0.317 736 N C -0.379 175.162 175.510 0.052 0.000 1.546 736 N CA -0.156 52.943 53.050 0.080 0.000 1.015 736 N CB 0.374 38.898 38.487 0.063 0.000 1.343 736 N HN 0.024 nan 8.380 nan 0.000 0.504 737 M N 0.204 119.821 119.600 0.028 0.000 2.494 737 M HA 0.252 4.718 4.480 -0.024 0.000 0.300 737 M C 0.047 176.345 176.300 -0.004 0.000 1.189 737 M CA -0.637 54.658 55.300 -0.008 0.000 0.982 737 M CB 0.798 33.365 32.600 -0.055 0.000 1.534 737 M HN 0.201 nan 8.290 nan 0.000 0.488 738 E N 2.345 122.535 120.200 -0.017 0.000 2.216 738 E HA -0.227 4.108 4.350 -0.024 0.000 0.162 738 E C -0.781 175.819 176.600 0.000 0.000 1.642 738 E CA 0.713 57.105 56.400 -0.012 0.000 0.599 738 E CB -1.467 28.218 29.700 -0.024 0.000 1.045 738 E HN 0.702 nan 8.360 nan 0.000 0.308 739 D N 0.035 120.442 120.400 0.012 0.000 2.755 739 D HA -0.199 4.426 4.640 -0.024 0.000 0.227 739 D C -0.668 175.645 176.300 0.020 0.000 1.211 739 D CA 1.569 55.580 54.000 0.018 0.000 0.663 739 D CB -0.466 40.337 40.800 0.005 0.000 0.983 739 D HN 0.309 nan 8.370 nan 0.000 0.407 740 S N -0.158 115.558 115.700 0.026 0.000 2.634 740 S HA 0.833 5.288 4.470 -0.024 0.000 0.296 740 S C -0.569 174.041 174.600 0.016 0.000 1.104 740 S CA -0.902 57.313 58.200 0.025 0.000 0.920 740 S CB 1.727 64.946 63.200 0.031 0.000 1.111 740 S HN 0.311 nan 8.310 nan 0.000 0.493 741 I N 2.683 123.243 120.570 -0.016 0.000 2.785 741 I HA 0.626 4.781 4.170 -0.024 0.000 0.302 741 I C -1.628 174.417 176.117 -0.120 0.000 1.069 741 I CA -1.036 60.216 61.300 -0.080 0.000 1.045 741 I CB 1.638 39.560 38.000 -0.129 0.000 1.236 741 I HN 0.635 nan 8.210 nan 0.000 0.429 742 I N 7.598 128.083 120.570 -0.142 0.000 2.466 742 I HA 0.437 4.592 4.170 -0.024 0.000 0.289 742 I C -1.666 174.332 176.117 -0.199 0.000 1.026 742 I CA -0.696 60.520 61.300 -0.140 0.000 1.078 742 I CB 1.836 39.821 38.000 -0.026 0.000 1.249 742 I HN 0.752 nan 8.210 nan 0.000 0.429 743 M N 6.709 126.178 119.600 -0.219 0.000 2.456 743 M HA 0.365 4.830 4.480 -0.024 0.000 0.324 743 M C -0.315 175.902 176.300 -0.139 0.000 1.124 743 M CA -0.681 54.485 55.300 -0.223 0.000 0.959 743 M CB 1.510 33.921 32.600 -0.316 0.000 1.692 743 M HN 0.548 nan 8.290 nan 0.000 0.444 744 N N 3.163 121.801 118.700 -0.104 0.000 2.429 744 N HA -0.012 4.713 4.740 -0.024 0.000 0.271 744 N C 0.708 176.186 175.510 -0.054 0.000 1.272 744 N CA 0.526 53.539 53.050 -0.062 0.000 0.921 744 N CB 0.588 39.049 38.487 -0.042 0.000 1.128 744 N HN 0.760 nan 8.380 nan 0.000 0.481 745 R N 2.570 123.041 120.500 -0.049 0.000 2.091 745 R HA -0.101 4.225 4.340 -0.024 0.000 0.238 745 R C 1.332 177.613 176.300 -0.032 0.000 1.136 745 R CA 1.864 57.938 56.100 -0.043 0.000 0.959 745 R CB -0.050 30.227 30.300 -0.038 0.000 0.856 745 R HN 0.478 nan 8.270 nan 0.000 0.437 746 S N -0.115 115.569 115.700 -0.027 0.000 2.428 746 S HA -0.010 4.446 4.470 -0.024 0.000 0.230 746 S C 1.785 176.366 174.600 -0.032 0.000 1.014 746 S CA 1.060 59.245 58.200 -0.025 0.000 0.957 746 S CB 0.199 63.387 63.200 -0.019 0.000 0.784 746 S HN 0.360 nan 8.310 nan 0.000 0.499 747 S N 1.146 116.827 115.700 -0.032 0.000 2.428 747 S HA 0.017 4.472 4.470 -0.024 0.000 0.230 747 S C 1.906 176.482 174.600 -0.040 0.000 1.014 747 S CA 0.516 58.693 58.200 -0.038 0.000 0.957 747 S CB -0.158 63.025 63.200 -0.028 0.000 0.784 747 S HN 0.327 nan 8.310 nan 0.000 0.499 748 V N 2.014 121.913 119.914 -0.024 0.000 2.453 748 V HA -0.110 3.996 4.120 -0.024 0.000 0.247 748 V C 2.083 178.159 176.094 -0.031 0.000 1.048 748 V CA 1.440 63.733 62.300 -0.012 0.000 1.049 748 V CB -0.548 31.274 31.823 -0.003 0.000 0.672 748 V HN 0.495 nan 8.190 nan 0.000 0.457 749 E N -0.243 119.937 120.200 -0.034 0.000 2.418 749 E HA -0.109 4.227 4.350 -0.024 0.000 0.197 749 E C 2.122 178.691 176.600 -0.051 0.000 1.026 749 E CA 0.413 56.793 56.400 -0.034 0.000 0.862 749 E CB -0.033 29.651 29.700 -0.026 0.000 0.799 749 E HN 0.506 nan 8.360 nan 0.000 0.518 750 R N -0.920 119.534 120.500 -0.076 0.000 2.312 750 R HA 0.084 4.409 4.340 -0.024 0.000 0.205 750 R C 1.034 177.202 176.300 -0.220 0.000 0.904 750 R CA 0.548 56.577 56.100 -0.119 0.000 1.052 750 R CB 0.869 31.103 30.300 -0.110 0.000 1.014 750 R HN 0.223 nan 8.270 nan 0.000 0.503 751 G N 0.287 108.969 108.800 -0.198 0.000 2.205 751 G HA2 -0.232 3.713 3.960 -0.024 0.000 0.180 751 G HA3 -0.232 3.713 3.960 -0.024 0.000 0.180 751 G C 0.085 174.851 174.900 -0.223 0.000 1.004 751 G CA -0.402 44.526 45.100 -0.288 0.000 0.670 751 G HN 0.194 nan 8.290 nan 0.000 0.496 752 M N 0.651 120.156 119.600 -0.160 0.000 2.239 752 M HA 0.464 4.929 4.480 -0.024 0.000 0.348 752 M C 1.029 177.357 176.300 0.047 0.000 1.239 752 M CA 0.139 55.356 55.300 -0.137 0.000 1.114 752 M CB -0.021 32.500 32.600 -0.133 0.000 1.641 752 M HN 0.536 nan 8.290 nan 0.000 0.453 753 Y N 0.963 121.306 120.300 0.072 0.000 4.409 753 Y HA -0.276 4.260 4.550 -0.024 0.000 0.228 753 Y C 0.033 175.969 175.900 0.060 0.000 1.108 753 Y CA 0.643 58.812 58.100 0.115 0.000 1.955 753 Y CB -1.915 36.693 38.460 0.247 0.000 1.615 753 Y HN 0.626 nan 8.280 nan 0.000 0.665 754 R N 0.893 121.447 120.500 0.091 0.000 2.390 754 R HA 0.544 4.869 4.340 -0.024 0.000 0.291 754 R C 0.598 176.788 176.300 -0.183 0.000 1.070 754 R CA 0.444 56.482 56.100 -0.103 0.000 1.014 754 R CB 1.112 31.249 30.300 -0.271 0.000 1.007 754 R HN 0.309 nan 8.270 nan 0.000 0.466 755 S N 0.507 116.132 115.700 -0.125 0.000 2.704 755 S HA 0.552 5.007 4.470 -0.024 0.000 0.296 755 S C -0.600 174.111 174.600 0.185 0.000 1.138 755 S CA -0.801 57.466 58.200 0.111 0.000 0.875 755 S CB 2.332 65.645 63.200 0.188 0.000 1.151 755 S HN 0.384 nan 8.310 nan 0.000 0.500 756 T N 1.928 116.642 114.554 0.267 0.000 2.881 756 T HA 0.497 4.833 4.350 -0.024 0.000 0.291 756 T C -1.467 173.089 174.700 -0.240 0.000 0.990 756 T CA -0.275 61.846 62.100 0.035 0.000 0.976 756 T CB 0.591 69.435 68.868 -0.040 0.000 0.970 756 T HN 0.520 nan 8.240 nan 0.000 0.438 757 F N 3.925 123.625 119.950 -0.416 0.000 2.394 757 F HA 0.668 5.180 4.527 -0.024 0.000 0.340 757 F C -1.245 174.194 175.800 -0.600 0.000 1.105 757 F CA -1.440 56.259 58.000 -0.502 0.000 1.124 757 F CB 0.391 39.206 39.000 -0.309 0.000 1.145 757 F HN 0.435 nan 8.300 nan 0.000 0.505 758 F N 5.962 125.376 119.950 -0.894 0.000 2.426 758 F HA 0.524 5.036 4.527 -0.024 0.000 0.348 758 F C 0.071 175.306 175.800 -0.942 0.000 1.124 758 F CA -0.667 56.940 58.000 -0.654 0.000 1.008 758 F CB 1.397 40.190 39.000 -0.346 0.000 1.139 758 F HN 0.404 nan 8.300 nan 0.000 0.452 759 R N 2.957 123.204 120.500 -0.423 0.000 2.832 759 R HA 0.839 5.164 4.340 -0.024 0.000 0.271 759 R C -1.946 174.191 176.300 -0.271 0.000 0.996 759 R CA -0.789 55.086 56.100 -0.374 0.000 0.977 759 R CB 1.680 31.825 30.300 -0.258 0.000 1.168 759 R HN 0.810 nan 8.270 nan 0.000 0.482 760 L N 2.874 123.884 121.223 -0.355 0.000 2.381 760 L HA 0.562 4.887 4.340 -0.024 0.000 0.268 760 L C -1.714 174.927 176.870 -0.382 0.000 0.997 760 L CA -0.663 54.030 54.840 -0.245 0.000 0.818 760 L CB 1.604 43.586 42.059 -0.130 0.000 1.310 760 L HN 0.688 nan 8.230 nan 0.000 0.416 761 Y N 2.523 122.829 120.300 0.011 0.000 2.373 761 Y HA 0.677 5.212 4.550 -0.024 0.000 0.336 761 Y C -0.098 175.812 175.900 0.015 0.000 0.979 761 Y CA -0.592 57.517 58.100 0.016 0.000 1.080 761 Y CB 2.351 40.823 38.460 0.020 0.000 1.190 761 Y HN 0.460 nan 8.280 nan 0.000 0.446 762 S N 1.209 116.999 115.700 0.151 0.000 2.550 762 S HA 0.868 5.323 4.470 -0.024 0.000 0.270 762 S C -1.364 173.281 174.600 0.074 0.000 1.145 762 S CA -0.421 57.837 58.200 0.097 0.000 0.852 762 S CB 1.639 64.876 63.200 0.062 0.000 1.119 762 S HN 0.578 nan 8.310 nan 0.000 0.465 763 T N 2.547 117.135 114.554 0.057 0.000 3.041 763 T HA 0.387 4.722 4.350 -0.024 0.000 0.321 763 T C -1.213 173.503 174.700 0.027 0.000 1.184 763 T CA -0.872 61.252 62.100 0.040 0.000 1.050 763 T CB 1.507 70.399 68.868 0.040 0.000 1.159 763 T HN 0.753 nan 8.240 nan 0.000 0.469 764 E N 1.981 122.190 120.200 0.015 0.000 2.283 764 E HA 0.360 4.695 4.350 -0.024 0.000 0.267 764 E C -0.878 175.715 176.600 -0.012 0.000 1.045 764 E CA -0.812 55.591 56.400 0.005 0.000 0.884 764 E CB 1.115 30.817 29.700 0.002 0.000 1.106 764 E HN 0.578 nan 8.360 nan 0.000 0.408 765 E N 2.479 122.669 120.200 -0.017 0.000 2.001 765 E HA 0.147 4.483 4.350 -0.024 0.000 0.279 765 E C 0.320 176.877 176.600 -0.072 0.000 1.045 765 E CA -0.478 55.903 56.400 -0.031 0.000 0.833 765 E CB 1.494 31.185 29.700 -0.016 0.000 1.077 765 E HN 0.383 nan 8.360 nan 0.000 0.397 766 V N 2.974 122.821 119.914 -0.111 0.000 4.279 766 V HA -0.187 3.919 4.120 -0.024 0.000 0.297 766 V C 0.753 176.675 176.094 -0.286 0.000 0.966 766 V CA 1.192 63.352 62.300 -0.232 0.000 1.039 766 V CB 0.753 32.440 31.823 -0.227 0.000 1.168 766 V HN 0.643 nan 8.190 nan 0.000 0.454 767 K N -2.429 117.677 120.400 -0.491 0.000 1.757 767 K HA 0.412 4.717 4.320 -0.024 0.000 0.294 767 K C -0.533 175.996 176.600 -0.118 0.000 0.907 767 K CA -0.043 56.055 56.287 -0.316 0.000 0.665 767 K CB 0.362 32.595 32.500 -0.445 0.000 3.156 767 K HN 0.579 nan 8.250 nan 0.000 1.117 768 Y N -0.784 119.525 120.300 0.015 0.000 2.327 768 Y HA 0.292 4.827 4.550 -0.024 0.000 0.133 768 Y C -1.474 174.434 175.900 0.014 0.000 1.844 768 Y CA -0.294 57.815 58.100 0.016 0.000 1.543 768 Y CB -0.722 37.748 38.460 0.017 0.000 1.194 768 Y HN 0.329 nan 8.280 nan 0.000 0.291 769 P HA 0.026 nan 4.420 nan 0.000 0.212 769 P C 1.213 178.558 177.300 0.075 0.000 1.180 769 P CA 1.958 65.117 63.100 0.098 0.000 0.902 769 P CB -0.392 31.335 31.700 0.046 0.000 0.778 770 G N 0.083 108.923 108.800 0.067 0.000 3.449 770 G HA2 -0.297 3.649 3.960 -0.024 0.000 0.212 770 G HA3 -0.297 3.649 3.960 -0.024 0.000 0.212 770 G C 1.628 176.554 174.900 0.042 0.000 1.072 770 G CA 1.594 46.724 45.100 0.049 0.000 0.753 770 G HN 0.384 nan 8.290 nan 0.000 1.155 771 G N -0.298 108.526 108.800 0.039 0.000 2.875 771 G HA2 -0.066 3.880 3.960 -0.024 0.000 0.220 771 G HA3 -0.066 3.880 3.960 -0.024 0.000 0.220 771 G C 1.342 176.259 174.900 0.027 0.000 1.293 771 G CA 3.742 48.859 45.100 0.028 0.000 0.789 771 G HN 1.331 nan 8.290 nan 0.000 0.677 772 Q N -3.194 116.623 119.800 0.029 0.000 2.789 772 Q HA 0.129 4.454 4.340 -0.024 0.000 0.182 772 Q C 0.229 176.243 176.000 0.023 0.000 0.648 772 Q CA 0.724 56.543 55.803 0.027 0.000 0.889 772 Q CB 0.546 29.295 28.738 0.017 0.000 0.995 772 Q HN 0.552 nan 8.270 nan 0.000 0.350 773 E N -0.205 120.000 120.200 0.009 0.000 2.401 773 E HA 0.274 4.609 4.350 -0.024 0.000 0.276 773 E C -1.965 174.627 176.600 -0.013 0.000 1.184 773 E CA -0.388 56.009 56.400 -0.005 0.000 0.902 773 E CB 1.192 30.894 29.700 0.002 0.000 1.356 773 E HN 0.199 nan 8.360 nan 0.000 0.420 774 D N 1.617 122.003 120.400 -0.022 0.000 2.344 774 D HA 0.379 5.004 4.640 -0.024 0.000 0.239 774 D C -0.761 175.534 176.300 -0.008 0.000 1.064 774 D CA -0.271 53.718 54.000 -0.018 0.000 0.829 774 D CB 1.485 42.268 40.800 -0.029 0.000 1.129 774 D HN 0.190 nan 8.370 nan 0.000 0.506 775 K N 1.308 121.707 120.400 -0.001 0.000 2.210 775 K HA 0.574 4.879 4.320 -0.024 0.000 0.236 775 K C 0.012 176.617 176.600 0.009 0.000 1.016 775 K CA -0.986 55.303 56.287 0.003 0.000 0.913 775 K CB 1.766 34.268 32.500 0.003 0.000 1.141 775 K HN 0.281 nan 8.250 nan 0.000 0.462 776 I N 2.535 123.113 120.570 0.013 0.000 2.307 776 I HA 0.166 4.321 4.170 -0.024 0.000 0.287 776 I C -0.777 175.352 176.117 0.020 0.000 1.054 776 I CA -0.453 60.859 61.300 0.021 0.000 1.218 776 I CB 0.817 38.832 38.000 0.024 0.000 1.398 776 I HN 0.160 nan 8.210 nan 0.000 0.475 777 V N 5.310 125.236 119.914 0.021 0.000 3.181 777 V HA 0.431 4.536 4.120 -0.024 0.000 0.308 777 V C -0.104 175.999 176.094 0.015 0.000 1.214 777 V CA -1.215 61.093 62.300 0.012 0.000 1.053 777 V CB 2.159 33.979 31.823 -0.005 0.000 1.069 777 V HN 0.647 nan 8.190 nan 0.000 0.441 778 M N 0.852 120.452 119.600 0.001 0.000 2.220 778 M HA 0.494 4.959 4.480 -0.024 0.000 0.343 778 M C -2.580 173.649 176.300 -0.120 0.000 1.470 778 M CA -1.208 54.068 55.300 -0.040 0.000 1.161 778 M CB -0.317 32.281 32.600 -0.005 0.000 1.737 778 M HN 0.311 nan 8.290 nan 0.000 0.464 779 P HA 0.003 nan 4.420 nan 0.000 0.269 779 P C -0.658 176.517 177.300 -0.209 0.000 1.217 779 P CA -0.142 62.886 63.100 -0.120 0.000 0.783 779 P CB 0.446 32.130 31.700 -0.026 0.000 0.898 780 E N 3.049 123.124 120.200 -0.209 0.000 2.376 780 E HA 0.040 4.376 4.350 -0.024 0.000 0.266 780 E C -1.637 174.587 176.600 -0.627 0.000 1.009 780 E CA -1.510 54.710 56.400 -0.300 0.000 0.902 780 E CB -0.191 29.394 29.700 -0.191 0.000 0.972 780 E HN 0.260 nan 8.360 nan 0.000 0.439 781 P HA -0.157 nan 4.420 nan 0.000 0.222 781 P C 0.027 176.756 177.300 -0.952 0.000 1.139 781 P CA 1.589 63.935 63.100 -1.257 0.000 0.790 781 P CB 0.240 31.637 31.700 -0.505 0.000 0.757 782 G N -2.031 106.460 108.800 -0.514 0.000 3.234 782 G HA2 0.348 4.293 3.960 -0.024 0.000 0.159 782 G HA3 0.348 4.293 3.960 -0.024 0.000 0.159 782 G C -0.858 173.963 174.900 -0.133 0.000 1.175 782 G CA -0.415 44.543 45.100 -0.237 0.000 0.900 782 G HN -0.182 nan 8.290 nan 0.000 0.621 783 V N 0.971 120.842 119.914 -0.072 0.000 2.717 783 V HA 0.210 4.316 4.120 -0.024 0.000 0.302 783 V C 0.497 176.574 176.094 -0.029 0.000 1.097 783 V CA 0.836 63.117 62.300 -0.033 0.000 1.262 783 V CB -0.188 31.616 31.823 -0.031 0.000 0.846 783 V HN 0.837 nan 8.190 nan 0.000 0.485 784 R N 3.755 124.260 120.500 0.009 0.000 2.626 784 R HA 0.635 4.960 4.340 -0.024 0.000 0.274 784 R C 0.259 176.596 176.300 0.062 0.000 1.031 784 R CA 0.205 56.323 56.100 0.030 0.000 0.898 784 R CB 1.672 31.981 30.300 0.014 0.000 1.222 784 R HN 1.271 nan 8.270 nan 0.000 0.455 785 G N 2.031 110.876 108.800 0.075 0.000 2.130 785 G HA2 -0.281 3.665 3.960 -0.024 0.000 0.216 785 G HA3 -0.281 3.665 3.960 -0.024 0.000 0.216 785 G C -0.820 174.151 174.900 0.119 0.000 0.999 785 G CA 0.207 45.350 45.100 0.072 0.000 0.686 785 G HN 0.549 nan 8.290 nan 0.000 0.515 786 Y N 1.604 121.908 120.300 0.007 0.000 2.526 786 Y HA 0.382 4.917 4.550 -0.024 0.000 0.330 786 Y C 1.728 177.652 175.900 0.039 0.000 1.156 786 Y CA 0.601 58.724 58.100 0.038 0.000 1.419 786 Y CB 0.610 39.071 38.460 0.002 0.000 1.250 786 Y HN 0.175 nan 8.280 nan 0.000 0.540 787 K N 4.176 124.354 120.400 -0.370 0.000 2.103 787 K HA 0.173 4.479 4.320 -0.024 0.000 0.204 787 K C 0.908 177.111 176.600 -0.663 0.000 1.052 787 K CA 0.809 56.790 56.287 -0.510 0.000 0.945 787 K CB -0.337 31.829 32.500 -0.557 0.000 0.722 787 K HN 1.033 nan 8.250 nan 0.000 0.443 788 G N 1.174 109.454 108.800 -0.867 0.000 2.685 788 G HA2 -0.201 3.745 3.960 -0.024 0.000 0.387 788 G HA3 -0.201 3.745 3.960 -0.024 0.000 0.387 788 G C -0.630 174.256 174.900 -0.024 0.000 1.324 788 G CA -0.405 44.506 45.100 -0.316 0.000 0.878 788 G HN 0.053 nan 8.290 nan 0.000 0.527 789 K N -1.764 118.745 120.400 0.181 0.000 1.882 789 K HA -0.217 4.088 4.320 -0.024 0.000 0.199 789 K C 0.979 177.732 176.600 0.255 0.000 1.562 789 K CA 2.065 58.480 56.287 0.213 0.000 0.515 789 K CB -1.273 31.370 32.500 0.237 0.000 0.682 789 K HN 0.793 nan 8.250 nan 0.000 0.843 790 E N 0.147 120.488 120.200 0.235 0.000 2.451 790 E HA 0.154 4.489 4.350 -0.024 0.000 0.194 790 E C 1.078 177.702 176.600 0.039 0.000 1.027 790 E CA 0.080 56.554 56.400 0.124 0.000 0.914 790 E CB -0.102 29.624 29.700 0.043 0.000 1.054 790 E HN 0.349 nan 8.360 nan 0.000 0.461 791 Y N -1.159 119.039 120.300 -0.170 0.000 2.439 791 Y HA -0.125 4.410 4.550 -0.024 0.000 0.292 791 Y C 0.662 176.254 175.900 -0.514 0.000 1.130 791 Y CA 0.934 58.801 58.100 -0.388 0.000 1.254 791 Y CB 0.010 38.119 38.460 -0.584 0.000 1.000 791 Y HN 0.221 nan 8.280 nan 0.000 0.554 792 Y N -1.707 118.647 120.300 0.089 0.000 2.555 792 Y HA 0.198 4.734 4.550 -0.024 0.000 0.259 792 Y C 2.008 177.935 175.900 0.046 0.000 1.179 792 Y CA -0.591 57.544 58.100 0.059 0.000 1.230 792 Y CB 0.029 38.543 38.460 0.089 0.000 1.146 792 Y HN -0.159 nan 8.280 nan 0.000 0.526 793 R N 1.235 121.798 120.500 0.106 0.000 2.096 793 R HA -0.070 4.256 4.340 -0.024 0.000 0.235 793 R C 1.194 177.522 176.300 0.046 0.000 1.127 793 R CA 1.701 57.844 56.100 0.072 0.000 0.968 793 R CB -0.622 29.693 30.300 0.025 0.000 0.861 793 R HN 0.419 nan 8.270 nan 0.000 0.440 794 L N 0.353 121.587 121.223 0.019 0.000 2.558 794 L HA 0.178 4.503 4.340 -0.024 0.000 0.225 794 L C 0.350 177.237 176.870 0.027 0.000 1.128 794 L CA -0.289 54.555 54.840 0.007 0.000 0.868 794 L CB -0.259 41.784 42.059 -0.027 0.000 1.006 794 L HN 0.056 nan 8.230 nan 0.000 0.454 795 L N 0.797 122.057 121.223 0.062 0.000 2.426 795 L HA 0.144 4.470 4.340 -0.024 0.000 0.271 795 L C 0.368 177.272 176.870 0.058 0.000 1.169 795 L CA 0.163 55.047 54.840 0.072 0.000 0.836 795 L CB 0.504 42.639 42.059 0.127 0.000 1.112 795 L HN 0.074 nan 8.230 nan 0.000 0.465 796 E N 2.282 122.509 120.200 0.044 0.000 2.155 796 E HA 0.186 4.521 4.350 -0.024 0.000 0.264 796 E C -0.344 176.275 176.600 0.032 0.000 0.886 796 E CA -0.270 56.151 56.400 0.034 0.000 0.752 796 E CB 1.693 31.409 29.700 0.026 0.000 1.133 796 E HN 0.641 nan 8.360 nan 0.000 0.414 797 D N 2.061 122.479 120.400 0.029 0.000 4.595 797 D HA -0.409 4.216 4.640 -0.024 0.000 0.264 797 D C 1.143 177.456 176.300 0.022 0.000 0.517 797 D CA 2.744 56.757 54.000 0.022 0.000 1.451 797 D CB -0.990 39.820 40.800 0.018 0.000 0.886 797 D HN 0.623 nan 8.370 nan 0.000 0.361 798 N N 0.647 119.360 118.700 0.022 0.000 2.120 798 N HA 0.058 4.784 4.740 -0.024 0.000 0.188 798 N C 1.529 177.055 175.510 0.027 0.000 1.024 798 N CA 2.176 55.239 53.050 0.021 0.000 0.852 798 N CB -0.231 38.268 38.487 0.020 0.000 1.003 798 N HN 0.817 nan 8.380 nan 0.000 0.424 799 G N -2.111 106.711 108.800 0.037 0.000 2.215 799 G HA2 0.011 3.956 3.960 -0.024 0.000 0.187 799 G HA3 0.011 3.956 3.960 -0.024 0.000 0.187 799 G C -0.892 174.040 174.900 0.054 0.000 1.039 799 G CA -0.082 45.050 45.100 0.053 0.000 0.771 799 G HN 0.272 nan 8.290 nan 0.000 0.507 800 V N 1.365 121.304 119.914 0.041 0.000 2.789 800 V HA 0.704 4.810 4.120 -0.024 0.000 0.311 800 V C 1.017 177.127 176.094 0.027 0.000 1.073 800 V CA -0.535 61.785 62.300 0.033 0.000 0.921 800 V CB 2.096 33.937 31.823 0.029 0.000 1.009 800 V HN 1.013 nan 8.190 nan 0.000 0.426 801 V N 2.050 121.975 119.914 0.018 0.000 2.999 801 V HA 0.431 4.537 4.120 -0.024 0.000 0.307 801 V C 0.737 176.840 176.094 0.016 0.000 1.084 801 V CA 0.116 62.424 62.300 0.012 0.000 1.155 801 V CB 1.038 32.859 31.823 -0.002 0.000 0.975 801 V HN 1.115 nan 8.190 nan 0.000 0.490 802 S N 3.674 119.382 115.700 0.014 0.000 2.584 802 S HA 0.451 4.907 4.470 -0.024 0.000 0.273 802 S C -1.426 173.183 174.600 0.016 0.000 1.311 802 S CA -0.883 57.326 58.200 0.015 0.000 1.034 802 S CB 1.138 64.346 63.200 0.013 0.000 0.939 802 S HN 0.884 nan 8.310 nan 0.000 0.513 803 P HA 0.306 nan 4.420 nan 0.000 0.253 803 P C -0.333 176.981 177.300 0.023 0.000 1.508 803 P CA 0.218 63.331 63.100 0.022 0.000 0.883 803 P CB -0.037 31.674 31.700 0.019 0.000 1.519 804 E N -0.181 120.031 120.200 0.019 0.000 4.170 804 E HA 0.215 4.551 4.350 -0.024 0.000 0.199 804 E C -0.966 175.643 176.600 0.016 0.000 1.080 804 E CA -0.308 56.104 56.400 0.020 0.000 1.446 804 E CB 1.261 30.971 29.700 0.017 0.000 1.170 804 E HN -0.030 nan 8.360 nan 0.000 0.429 805 V N 0.891 120.813 119.914 0.014 0.000 2.513 805 V HA 0.271 4.376 4.120 -0.024 0.000 0.299 805 V C 0.274 176.369 176.094 0.002 0.000 1.035 805 V CA -0.811 61.492 62.300 0.005 0.000 0.889 805 V CB 2.101 33.924 31.823 -0.001 0.000 0.988 805 V HN 0.162 nan 8.190 nan 0.000 0.440 806 E N 2.613 122.811 120.200 -0.004 0.000 2.324 806 E HA 0.380 4.716 4.350 -0.024 0.000 0.271 806 E C -0.961 175.624 176.600 -0.025 0.000 1.028 806 E CA 0.017 56.411 56.400 -0.009 0.000 0.890 806 E CB 1.242 30.936 29.700 -0.010 0.000 1.004 806 E HN 0.400 nan 8.360 nan 0.000 0.431 807 V N 4.064 123.964 119.914 -0.024 0.000 2.638 807 V HA 0.369 4.475 4.120 -0.024 0.000 0.306 807 V C -0.005 176.061 176.094 -0.046 0.000 1.052 807 V CA -0.725 61.548 62.300 -0.045 0.000 0.885 807 V CB 1.814 33.612 31.823 -0.042 0.000 0.999 807 V HN 0.599 nan 8.190 nan 0.000 0.424 808 K N 1.502 121.854 120.400 -0.079 0.000 2.197 808 K HA 0.723 5.028 4.320 -0.024 0.000 0.247 808 K C 1.083 177.618 176.600 -0.108 0.000 1.077 808 K CA -0.182 56.056 56.287 -0.082 0.000 0.882 808 K CB 1.898 34.344 32.500 -0.090 0.000 1.396 808 K HN 0.809 nan 8.250 nan 0.000 0.482 809 G N 0.450 109.182 108.800 -0.114 0.000 2.699 809 G HA2 -0.367 3.579 3.960 -0.024 0.000 0.408 809 G HA3 -0.367 3.579 3.960 -0.024 0.000 0.408 809 G C 0.609 175.453 174.900 -0.093 0.000 1.112 809 G CA 0.921 45.944 45.100 -0.128 0.000 0.885 809 G HN 0.682 nan 8.290 nan 0.000 0.690 810 G N 0.076 108.804 108.800 -0.120 0.000 3.959 810 G HA2 0.476 4.422 3.960 -0.024 0.000 0.298 810 G HA3 0.476 4.422 3.960 -0.024 0.000 0.298 810 G C -0.365 174.446 174.900 -0.149 0.000 1.211 810 G CA 0.502 45.571 45.100 -0.052 0.000 1.001 810 G HN 0.553 nan 8.290 nan 0.000 0.561 811 D N 0.445 120.718 120.400 -0.212 0.000 2.390 811 D HA 0.256 4.881 4.640 -0.024 0.000 0.249 811 D C 0.474 176.655 176.300 -0.197 0.000 1.144 811 D CA 0.025 53.883 54.000 -0.236 0.000 0.880 811 D CB 2.135 42.815 40.800 -0.200 0.000 1.182 811 D HN -0.064 nan 8.370 nan 0.000 0.451 812 V N 4.081 123.867 119.914 -0.214 0.000 2.479 812 V HA -0.002 4.103 4.120 -0.024 0.000 0.281 812 V C 1.222 177.245 176.094 -0.119 0.000 1.031 812 V CA 0.207 62.399 62.300 -0.181 0.000 1.038 812 V CB 0.643 32.295 31.823 -0.284 0.000 0.981 812 V HN 0.566 nan 8.190 nan 0.000 0.478 813 L N 5.065 126.209 121.223 -0.132 0.000 2.262 813 L HA 0.364 4.689 4.340 -0.024 0.000 0.197 813 L C 0.469 177.315 176.870 -0.039 0.000 1.073 813 L CA 0.792 55.561 54.840 -0.119 0.000 0.800 813 L CB 0.231 42.149 42.059 -0.236 0.000 0.987 813 L HN 0.452 nan 8.230 nan 0.000 0.470 814 I N 0.455 121.012 120.570 -0.022 0.000 2.437 814 I HA 0.289 4.445 4.170 -0.024 0.000 0.279 814 I C 0.346 176.501 176.117 0.064 0.000 1.028 814 I CA -0.501 60.815 61.300 0.026 0.000 1.142 814 I CB 1.324 39.340 38.000 0.026 0.000 1.266 814 I HN -0.054 nan 8.210 nan 0.000 0.461 815 G N 5.190 114.053 108.800 0.105 0.000 2.441 815 G HA2 0.374 4.320 3.960 -0.024 0.000 0.243 815 G HA3 0.374 4.320 3.960 -0.024 0.000 0.243 815 G C -0.576 174.379 174.900 0.091 0.000 1.281 815 G CA -0.120 45.071 45.100 0.151 0.000 0.854 815 G HN 0.602 nan 8.290 nan 0.000 0.560 816 K N 0.767 121.221 120.400 0.090 0.000 2.572 816 K HA 0.440 4.746 4.320 -0.024 0.000 0.263 816 K C -1.467 175.163 176.600 0.050 0.000 0.932 816 K CA -0.617 55.703 56.287 0.054 0.000 0.838 816 K CB 2.337 34.863 32.500 0.045 0.000 1.366 816 K HN 0.368 nan 8.250 nan 0.000 0.425 817 V N 1.393 121.324 119.914 0.029 0.000 2.769 817 V HA 0.616 4.721 4.120 -0.024 0.000 0.312 817 V C -0.491 175.610 176.094 0.012 0.000 1.061 817 V CA -0.761 61.552 62.300 0.023 0.000 0.931 817 V CB 1.968 33.798 31.823 0.011 0.000 1.010 817 V HN 0.805 nan 8.190 nan 0.000 0.433 818 S N 2.664 118.370 115.700 0.011 0.000 2.599 818 S HA 0.695 5.150 4.470 -0.024 0.000 0.287 818 S C -2.910 171.691 174.600 0.003 0.000 1.105 818 S CA -1.218 56.983 58.200 0.002 0.000 0.899 818 S CB 2.344 65.544 63.200 0.001 0.000 1.100 818 S HN 0.591 nan 8.310 nan 0.000 0.482 819 P HA 0.314 nan 4.420 nan 0.000 0.271 819 P C -2.358 174.946 177.300 0.006 0.000 1.216 819 P CA -1.004 62.098 63.100 0.004 0.000 0.776 819 P CB -0.245 31.459 31.700 0.007 0.000 0.881 835 K N -0.189 120.210 120.400 -0.001 0.000 10.724 835 K HA -0.021 4.285 4.320 -0.024 0.000 1.180 835 K C -0.218 176.388 176.600 0.010 0.000 1.836 835 K CA -0.182 56.107 56.287 0.003 0.000 0.720 835 K CB -0.170 32.329 32.500 -0.001 0.000 1.294 835 K HN 0.893 nan 8.250 nan 0.000 0.450 836 R N 0.530 121.038 120.500 0.013 0.000 2.696 836 R HA 0.283 4.608 4.340 -0.024 0.000 0.218 836 R C 0.558 176.878 176.300 0.034 0.000 1.202 836 R CA -0.028 56.084 56.100 0.020 0.000 1.043 836 R CB 0.161 30.471 30.300 0.017 0.000 1.292 836 R HN 0.762 nan 8.270 nan 0.000 0.521 837 D N -1.883 118.542 120.400 0.041 0.000 2.614 837 D HA -0.025 4.600 4.640 -0.024 0.000 0.129 837 D C -0.690 175.643 176.300 0.054 0.000 1.441 837 D CA 0.576 54.614 54.000 0.062 0.000 1.519 837 D CB 0.388 41.244 40.800 0.094 0.000 1.929 837 D HN 0.471 nan 8.370 nan 0.000 0.204 838 T N 0.820 115.403 114.554 0.050 0.000 3.720 838 T HA -0.155 4.180 4.350 -0.024 0.000 0.381 838 T C 0.385 175.114 174.700 0.049 0.000 0.763 838 T CA 1.049 63.173 62.100 0.040 0.000 1.957 838 T CB -1.870 67.014 68.868 0.028 0.000 1.767 838 T HN 0.261 nan 8.240 nan 0.000 0.743 839 S N -0.900 114.841 115.700 0.069 0.000 2.401 839 S HA 0.634 5.089 4.470 -0.024 0.000 0.249 839 S C 0.490 175.119 174.600 0.049 0.000 1.237 839 S CA -0.574 57.672 58.200 0.077 0.000 1.000 839 S CB 0.309 63.595 63.200 0.143 0.000 1.013 839 S HN 0.395 nan 8.310 nan 0.000 0.494 840 I N 0.909 121.499 120.570 0.034 0.000 2.404 840 I HA 0.534 4.689 4.170 -0.024 0.000 0.293 840 I C -0.875 175.198 176.117 -0.073 0.000 0.992 840 I CA -0.095 61.202 61.300 -0.005 0.000 1.149 840 I CB 1.349 39.346 38.000 -0.005 0.000 1.315 840 I HN 0.263 nan 8.210 nan 0.000 0.446 841 V N 4.549 124.411 119.914 -0.087 0.000 2.925 841 V HA 0.458 4.564 4.120 -0.024 0.000 0.311 841 V C -0.220 175.768 176.094 -0.177 0.000 1.104 841 V CA -0.843 61.387 62.300 -0.118 0.000 0.954 841 V CB 2.471 34.278 31.823 -0.027 0.000 1.022 841 V HN 0.754 nan 8.190 nan 0.000 0.427 842 T N 4.079 118.503 114.554 -0.217 0.000 2.940 842 T HA 0.204 4.539 4.350 -0.024 0.000 0.309 842 T C 0.403 175.153 174.700 0.083 0.000 1.056 842 T CA -0.451 61.555 62.100 -0.157 0.000 1.137 842 T CB 0.099 68.897 68.868 -0.118 0.000 0.976 842 T HN 0.446 nan 8.240 nan 0.000 0.547 843 R N 1.938 122.592 120.500 0.257 0.000 2.698 843 R HA -0.024 4.302 4.340 -0.024 0.000 0.266 843 R C 1.679 178.067 176.300 0.146 0.000 1.026 843 R CA -0.017 56.212 56.100 0.215 0.000 1.102 843 R CB -0.056 30.371 30.300 0.211 0.000 0.978 843 R HN 0.811 nan 8.270 nan 0.000 0.436 844 H N 1.809 120.912 119.070 0.055 0.000 2.319 844 H HA -0.120 4.421 4.556 -0.024 0.000 0.297 844 H C 0.906 176.251 175.328 0.028 0.000 1.097 844 H CA 2.064 58.134 56.048 0.036 0.000 1.285 844 H CB 0.340 30.122 29.762 0.033 0.000 1.368 844 H HN 0.696 nan 8.280 nan 0.000 0.495 845 G N 0.555 109.320 108.800 -0.058 0.000 3.702 845 G HA2 0.170 4.115 3.960 -0.024 0.000 0.288 845 G HA3 0.170 4.115 3.960 -0.024 0.000 0.288 845 G C -0.549 174.323 174.900 -0.046 0.000 1.193 845 G CA -0.342 44.689 45.100 -0.116 0.000 0.952 845 G HN 0.376 nan 8.290 nan 0.000 0.544 846 E N 0.170 120.362 120.200 -0.015 0.000 2.256 846 E HA 0.664 5.000 4.350 -0.024 0.000 0.267 846 E C -0.171 176.445 176.600 0.027 0.000 0.892 846 E CA -0.686 55.734 56.400 0.033 0.000 0.775 846 E CB 2.319 32.085 29.700 0.109 0.000 1.207 846 E HN 0.377 nan 8.360 nan 0.000 0.420 847 M N -0.657 118.966 119.600 0.037 0.000 2.948 847 M HA 0.888 5.354 4.480 -0.024 0.000 0.278 847 M C -0.135 176.196 176.300 0.052 0.000 1.293 847 M CA -0.579 54.736 55.300 0.026 0.000 0.777 847 M CB 2.241 34.839 32.600 -0.005 0.000 1.713 847 M HN 0.619 nan 8.290 nan 0.000 0.444 848 G N 0.289 109.110 108.800 0.035 0.000 2.347 848 G HA2 0.281 4.227 3.960 -0.024 0.000 0.341 848 G HA3 0.281 4.227 3.960 -0.024 0.000 0.341 848 G C -1.997 172.924 174.900 0.034 0.000 1.287 848 G CA -0.993 44.131 45.100 0.039 0.000 0.984 848 G HN 0.917 nan 8.290 nan 0.000 0.526 849 I N 0.172 120.763 120.570 0.035 0.000 2.460 849 I HA 0.471 4.626 4.170 -0.024 0.000 0.298 849 I C 0.801 176.949 176.117 0.051 0.000 0.989 849 I CA -1.260 60.061 61.300 0.034 0.000 1.173 849 I CB 1.938 39.957 38.000 0.031 0.000 1.338 849 I HN 0.380 nan 8.210 nan 0.000 0.456 850 V N 4.091 124.032 119.914 0.046 0.000 2.673 850 V HA -0.053 4.053 4.120 -0.024 0.000 0.303 850 V C 0.481 176.614 176.094 0.065 0.000 1.046 850 V CA 0.542 62.878 62.300 0.060 0.000 1.126 850 V CB 0.898 32.745 31.823 0.040 0.000 0.934 850 V HN 0.857 nan 8.190 nan 0.000 0.487 851 D N 2.463 122.915 120.400 0.087 0.000 2.514 851 D HA 0.204 4.830 4.640 -0.024 0.000 0.249 851 D C -0.251 176.085 176.300 0.060 0.000 1.036 851 D CA 0.177 54.233 54.000 0.093 0.000 0.911 851 D CB 0.599 41.500 40.800 0.169 0.000 1.145 851 D HN 0.370 nan 8.370 nan 0.000 0.495 852 L N 0.935 122.192 121.223 0.056 0.000 2.543 852 L HA 0.476 4.802 4.340 -0.024 0.000 0.265 852 L C -1.871 175.020 176.870 0.034 0.000 0.945 852 L CA -0.671 54.187 54.840 0.029 0.000 0.869 852 L CB 2.103 44.169 42.059 0.011 0.000 1.294 852 L HN -0.244 nan 8.230 nan 0.000 0.405 853 V N 5.798 125.726 119.914 0.024 0.000 2.409 853 V HA 0.564 4.669 4.120 -0.024 0.000 0.291 853 V C -0.465 175.640 176.094 0.019 0.000 1.020 853 V CA -0.493 61.823 62.300 0.027 0.000 0.848 853 V CB 1.641 33.480 31.823 0.025 0.000 0.990 853 V HN 0.710 nan 8.190 nan 0.000 0.430 854 L N 6.612 127.848 121.223 0.022 0.000 2.362 854 L HA 0.813 5.139 4.340 -0.024 0.000 0.275 854 L C -1.471 175.412 176.870 0.022 0.000 0.998 854 L CA -0.416 54.434 54.840 0.017 0.000 0.820 854 L CB 1.753 43.820 42.059 0.013 0.000 1.270 854 L HN 0.572 nan 8.230 nan 0.000 0.415 855 I N 4.433 125.014 120.570 0.019 0.000 2.499 855 I HA 0.700 4.855 4.170 -0.024 0.000 0.288 855 I C -0.075 176.054 176.117 0.020 0.000 1.048 855 I CA 0.161 61.474 61.300 0.021 0.000 1.062 855 I CB 2.186 40.197 38.000 0.020 0.000 1.238 855 I HN 0.727 nan 8.210 nan 0.000 0.426 856 T N 2.366 116.933 114.554 0.022 0.000 2.611 856 T HA 0.533 4.868 4.350 -0.024 0.000 0.269 856 T C -1.091 173.624 174.700 0.025 0.000 1.032 856 T CA -0.871 61.243 62.100 0.023 0.000 1.178 856 T CB 1.475 70.358 68.868 0.025 0.000 1.651 856 T HN 0.478 nan 8.240 nan 0.000 0.456 857 E N 1.014 121.231 120.200 0.028 0.000 2.352 857 E HA 0.476 4.812 4.350 -0.024 0.000 0.280 857 E C -1.053 175.568 176.600 0.035 0.000 0.930 857 E CA -0.633 55.785 56.400 0.029 0.000 0.765 857 E CB 2.330 32.047 29.700 0.028 0.000 1.219 857 E HN 0.773 nan 8.360 nan 0.000 0.434 858 T N -1.002 113.574 114.554 0.038 0.000 2.828 858 T HA 0.325 4.660 4.350 -0.024 0.000 0.290 858 T C 1.375 176.104 174.700 0.048 0.000 1.019 858 T CA 0.034 62.161 62.100 0.045 0.000 1.031 858 T CB 1.351 70.249 68.868 0.049 0.000 1.001 858 T HN 0.551 nan 8.240 nan 0.000 0.531 859 A N 0.648 123.499 122.820 0.053 0.000 1.971 859 A HA -0.206 4.099 4.320 -0.024 0.000 0.222 859 A C 2.237 179.851 177.584 0.050 0.000 1.182 859 A CA 2.092 54.160 52.037 0.052 0.000 0.649 859 A CB -1.008 18.025 19.000 0.056 0.000 0.818 859 A HN 0.972 nan 8.150 nan 0.000 0.458 860 E N -2.504 117.730 120.200 0.057 0.000 2.158 860 E HA 0.205 4.540 4.350 -0.024 0.000 0.191 860 E C 1.210 177.841 176.600 0.053 0.000 0.982 860 E CA 0.514 56.950 56.400 0.060 0.000 0.823 860 E CB -0.046 29.702 29.700 0.080 0.000 0.766 860 E HN 0.806 nan 8.360 nan 0.000 0.468 861 G N 1.336 110.165 108.800 0.048 0.000 2.161 861 G HA2 -0.125 3.821 3.960 -0.024 0.000 0.140 861 G HA3 -0.125 3.821 3.960 -0.024 0.000 0.140 861 G C -0.486 174.434 174.900 0.034 0.000 1.040 861 G CA -0.668 44.456 45.100 0.039 0.000 0.735 861 G HN -0.003 nan 8.290 nan 0.000 0.496 862 N N 1.019 119.739 118.700 0.032 0.000 2.499 862 N HA 0.290 5.015 4.740 -0.024 0.000 0.281 862 N C 0.115 175.637 175.510 0.019 0.000 1.098 862 N CA -0.296 52.765 53.050 0.020 0.000 0.979 862 N CB 1.666 40.159 38.487 0.009 0.000 1.121 862 N HN 0.379 nan 8.380 nan 0.000 0.466 863 K N 2.056 122.465 120.400 0.015 0.000 2.402 863 K HA 0.062 4.368 4.320 -0.024 0.000 0.285 863 K C -0.734 175.877 176.600 0.019 0.000 1.054 863 K CA -0.225 56.072 56.287 0.018 0.000 1.001 863 K CB 0.163 32.672 32.500 0.016 0.000 0.946 863 K HN 0.375 nan 8.250 nan 0.000 0.473 864 L N 5.795 127.032 121.223 0.023 0.000 2.296 864 L HA 0.339 4.664 4.340 -0.024 0.000 0.286 864 L C -1.324 175.564 176.870 0.029 0.000 1.023 864 L CA -0.502 54.354 54.840 0.026 0.000 0.812 864 L CB 1.714 43.791 42.059 0.030 0.000 1.223 864 L HN 0.348 nan 8.230 nan 0.000 0.421 865 V N 5.229 125.163 119.914 0.033 0.000 2.407 865 V HA 0.452 4.557 4.120 -0.024 0.000 0.291 865 V C -0.341 175.782 176.094 0.048 0.000 1.018 865 V CA -0.811 61.511 62.300 0.037 0.000 0.842 865 V CB 1.438 33.282 31.823 0.036 0.000 0.996 865 V HN 0.634 nan 8.190 nan 0.000 0.426 866 K N 3.776 124.204 120.400 0.047 0.000 2.265 866 K HA 0.722 5.028 4.320 -0.024 0.000 0.267 866 K C -1.212 175.429 176.600 0.069 0.000 0.994 866 K CA -0.596 55.726 56.287 0.059 0.000 0.860 866 K CB 2.335 34.859 32.500 0.041 0.000 1.099 866 K HN 0.438 nan 8.250 nan 0.000 0.448 867 V N 4.360 124.341 119.914 0.111 0.000 2.407 867 V HA 0.360 4.466 4.120 -0.024 0.000 0.291 867 V C -0.333 175.884 176.094 0.206 0.000 1.018 867 V CA -0.873 61.505 62.300 0.129 0.000 0.842 867 V CB 1.315 33.201 31.823 0.104 0.000 0.996 867 V HN 0.764 nan 8.190 nan 0.000 0.426 868 R N 4.110 124.698 120.500 0.147 0.000 2.589 868 R HA 0.878 5.203 4.340 -0.024 0.000 0.293 868 R C -1.748 174.655 176.300 0.172 0.000 0.963 868 R CA -0.637 55.550 56.100 0.145 0.000 0.905 868 R CB 2.056 32.400 30.300 0.073 0.000 1.144 868 R HN 0.351 nan 8.270 nan 0.000 0.459 869 V N 3.826 123.851 119.914 0.185 0.000 2.540 869 V HA 0.476 4.581 4.120 -0.024 0.000 0.302 869 V C -0.068 176.082 176.094 0.092 0.000 1.035 869 V CA -0.953 61.447 62.300 0.166 0.000 0.873 869 V CB 1.379 33.349 31.823 0.245 0.000 0.992 869 V HN 0.910 nan 8.190 nan 0.000 0.428 870 R N 1.703 122.239 120.500 0.059 0.000 2.598 870 R HA 0.799 5.124 4.340 -0.024 0.000 0.279 870 R C -1.416 174.850 176.300 -0.056 0.000 0.984 870 R CA -0.672 55.373 56.100 -0.091 0.000 0.999 870 R CB 1.865 32.114 30.300 -0.085 0.000 1.114 870 R HN 0.573 nan 8.270 nan 0.000 0.493 871 D N 1.956 122.295 120.400 -0.101 0.000 2.863 871 D HA 0.224 4.849 4.640 -0.024 0.000 0.245 871 D C -1.056 175.243 176.300 -0.003 0.000 1.211 871 D CA -0.665 53.334 54.000 -0.003 0.000 0.888 871 D CB 1.722 42.569 40.800 0.078 0.000 1.483 871 D HN 0.556 nan 8.370 nan 0.000 0.533 872 L N 3.855 125.094 121.223 0.027 0.000 2.410 872 L HA 0.370 4.696 4.340 -0.024 0.000 0.273 872 L C -0.148 176.737 176.870 0.025 0.000 1.152 872 L CA -0.113 54.757 54.840 0.051 0.000 0.855 872 L CB 0.118 42.213 42.059 0.059 0.000 1.129 872 L HN 0.271 nan 8.230 nan 0.000 0.463 873 R N 6.358 126.866 120.500 0.014 0.000 2.487 873 R HA 0.348 4.674 4.340 -0.024 0.000 0.288 873 R C -1.148 175.148 176.300 -0.007 0.000 1.394 873 R CA -0.694 55.411 56.100 0.008 0.000 1.155 873 R CB 0.754 31.073 30.300 0.031 0.000 1.156 873 R HN 0.467 nan 8.270 nan 0.000 0.553 874 I N 3.325 123.893 120.570 -0.004 0.000 2.395 874 I HA 0.254 4.409 4.170 -0.024 0.000 0.289 874 I C -1.726 174.412 176.117 0.035 0.000 1.023 874 I CA -2.209 59.094 61.300 0.004 0.000 1.350 874 I CB 0.340 38.338 38.000 -0.003 0.000 1.409 874 I HN 0.172 nan 8.210 nan 0.000 0.507 875 P HA 0.155 nan 4.420 nan 0.000 0.271 875 P C -0.737 176.594 177.300 0.052 0.000 1.233 875 P CA -0.025 63.149 63.100 0.123 0.000 0.764 875 P CB 0.733 32.572 31.700 0.232 0.000 0.825 876 S N 2.258 117.982 115.700 0.040 0.000 2.638 876 S HA 0.483 4.938 4.470 -0.024 0.000 0.274 876 S C -0.142 174.451 174.600 -0.012 0.000 1.157 876 S CA -1.056 57.140 58.200 -0.007 0.000 0.826 876 S CB 0.299 63.493 63.200 -0.010 0.000 1.139 876 S HN 0.127 nan 8.310 nan 0.000 0.474 877 I N 2.368 122.912 120.570 -0.044 0.000 3.247 877 I HA 0.236 4.392 4.170 -0.024 0.000 0.309 877 I C 1.537 177.649 176.117 -0.009 0.000 1.246 877 I CA 2.152 63.426 61.300 -0.044 0.000 1.384 877 I CB -1.091 36.875 38.000 -0.056 0.000 1.401 877 I HN 1.185 nan 8.210 nan 0.000 0.520 878 G N 3.325 112.130 108.800 0.008 0.000 2.617 878 G HA2 -0.174 3.771 3.960 -0.024 0.000 0.197 878 G HA3 -0.174 3.771 3.960 -0.024 0.000 0.197 878 G C 0.132 175.062 174.900 0.050 0.000 1.017 878 G CA -0.467 44.647 45.100 0.023 0.000 0.713 878 G HN 0.491 nan 8.290 nan 0.000 0.481 879 D N 1.157 121.609 120.400 0.087 0.000 2.390 879 D HA 0.392 5.017 4.640 -0.024 0.000 0.236 879 D C 0.325 176.757 176.300 0.221 0.000 1.189 879 D CA 0.544 54.627 54.000 0.138 0.000 0.887 879 D CB 1.043 41.968 40.800 0.207 0.000 1.198 879 D HN 0.399 nan 8.370 nan 0.000 0.444 880 K N 0.874 121.351 120.400 0.127 0.000 2.244 880 K HA 0.420 4.726 4.320 -0.024 0.000 0.260 880 K C -1.337 175.283 176.600 0.033 0.000 0.951 880 K CA -0.496 55.867 56.287 0.127 0.000 0.826 880 K CB 0.726 33.240 32.500 0.023 0.000 1.108 880 K HN 0.148 nan 8.250 nan 0.000 0.433 881 F N 1.250 121.182 119.950 -0.030 0.000 2.588 881 F HA 0.696 5.209 4.527 -0.024 0.000 0.314 881 F C -0.322 175.509 175.800 0.051 0.000 1.069 881 F CA -0.667 57.332 58.000 -0.003 0.000 0.931 881 F CB 2.410 41.400 39.000 -0.017 0.000 1.260 881 F HN 0.557 nan 8.300 nan 0.000 0.465 882 A N 0.836 123.758 122.820 0.170 0.000 2.549 882 A HA 0.697 5.002 4.320 -0.024 0.000 0.297 882 A C -0.661 176.698 177.584 -0.375 0.000 1.061 882 A CA -0.531 51.492 52.037 -0.025 0.000 0.690 882 A CB 1.431 20.413 19.000 -0.030 0.000 1.287 882 A HN 0.838 nan 8.150 nan 0.000 0.402 883 S N 0.669 116.042 115.700 -0.545 0.000 2.645 883 S HA 0.405 4.861 4.470 -0.024 0.000 0.266 883 S C 0.662 175.114 174.600 -0.248 0.000 1.258 883 S CA -0.229 57.589 58.200 -0.636 0.000 0.990 883 S CB 0.830 63.798 63.200 -0.386 0.000 0.967 883 S HN 0.722 nan 8.310 nan 0.000 0.556 884 R N -0.187 120.178 120.500 -0.226 0.000 2.343 884 R HA 0.113 4.439 4.340 -0.024 0.000 0.202 884 R C 0.365 176.354 176.300 -0.519 0.000 1.023 884 R CA 0.532 56.432 56.100 -0.334 0.000 1.084 884 R CB -0.355 29.740 30.300 -0.341 0.000 0.956 884 R HN 0.701 nan 8.270 nan 0.000 0.478 885 H N -1.937 117.087 119.070 -0.076 0.000 2.767 885 H HA 0.202 4.743 4.556 -0.024 0.000 0.260 885 H C 0.508 175.804 175.328 -0.053 0.000 1.172 885 H CA 0.310 56.314 56.048 -0.072 0.000 1.048 885 H CB 1.229 30.962 29.762 -0.048 0.000 1.697 885 H HN 0.290 nan 8.280 nan 0.000 0.606 886 G N 2.405 111.232 108.800 0.045 0.000 2.324 886 G HA2 -0.296 3.650 3.960 -0.024 0.000 0.292 886 G HA3 -0.296 3.650 3.960 -0.024 0.000 0.292 886 G C 0.023 175.005 174.900 0.136 0.000 1.079 886 G CA 0.268 45.441 45.100 0.121 0.000 1.026 886 G HN 0.428 nan 8.290 nan 0.000 0.506 887 Q N 0.290 120.131 119.800 0.068 0.000 2.644 887 Q HA 0.463 4.788 4.340 -0.024 0.000 0.245 887 Q C 0.716 176.749 176.000 0.055 0.000 1.064 887 Q CA -0.573 55.270 55.803 0.066 0.000 0.860 887 Q CB 0.227 29.006 28.738 0.069 0.000 1.145 887 Q HN 0.540 nan 8.270 nan 0.000 0.515 888 K N 0.651 121.069 120.400 0.030 0.000 2.440 888 K HA 0.477 4.783 4.320 -0.024 0.000 0.270 888 K C 0.010 176.641 176.600 0.053 0.000 0.980 888 K CA 0.523 56.822 56.287 0.021 0.000 0.953 888 K CB 0.639 33.111 32.500 -0.046 0.000 0.925 888 K HN 0.636 nan 8.250 nan 0.000 0.497 889 G N 0.446 109.295 108.800 0.082 0.000 2.761 889 G HA2 0.369 4.314 3.960 -0.024 0.000 0.296 889 G HA3 0.369 4.314 3.960 -0.024 0.000 0.296 889 G C -1.483 173.473 174.900 0.094 0.000 1.416 889 G CA -0.656 44.497 45.100 0.087 0.000 1.105 889 G HN 0.333 nan 8.290 nan 0.000 0.565 890 V N 3.294 123.238 119.914 0.050 0.000 2.439 890 V HA 0.321 4.426 4.120 -0.024 0.000 0.282 890 V C 0.777 176.879 176.094 0.013 0.000 1.039 890 V CA -0.599 61.731 62.300 0.052 0.000 0.913 890 V CB 1.509 33.345 31.823 0.023 0.000 0.983 890 V HN 0.658 nan 8.190 nan 0.000 0.460 891 I N 4.812 125.378 120.570 -0.006 0.000 2.680 891 I HA 0.016 4.172 4.170 -0.024 0.000 0.286 891 I C 1.632 177.706 176.117 -0.072 0.000 1.144 891 I CA 0.668 61.898 61.300 -0.116 0.000 1.370 891 I CB 0.445 38.328 38.000 -0.195 0.000 1.420 891 I HN 0.845 nan 8.210 nan 0.000 0.540 892 G N 6.427 115.189 108.800 -0.064 0.000 2.395 892 G HA2 -0.012 3.933 3.960 -0.024 0.000 0.214 892 G HA3 -0.012 3.933 3.960 -0.024 0.000 0.214 892 G C 0.339 175.141 174.900 -0.162 0.000 1.177 892 G CA 0.373 45.458 45.100 -0.024 0.000 0.794 892 G HN 0.468 nan 8.290 nan 0.000 0.532 893 M N -1.048 118.381 119.600 -0.286 0.000 2.531 893 M HA 0.693 5.158 4.480 -0.024 0.000 0.286 893 M C -2.187 173.939 176.300 -0.291 0.000 1.232 893 M CA -0.834 54.185 55.300 -0.467 0.000 0.877 893 M CB 2.345 34.286 32.600 -1.097 0.000 1.726 893 M HN -0.109 nan 8.290 nan 0.000 0.463 894 L N 4.410 125.485 121.223 -0.246 0.000 2.313 894 L HA 0.573 4.898 4.340 -0.024 0.000 0.273 894 L C -1.236 175.568 176.870 -0.110 0.000 1.028 894 L CA 0.250 54.998 54.840 -0.154 0.000 0.871 894 L CB 0.619 42.608 42.059 -0.117 0.000 1.242 894 L HN 0.623 nan 8.230 nan 0.000 0.434 895 I N 5.902 126.429 120.570 -0.073 0.000 2.321 895 I HA 0.332 4.488 4.170 -0.024 0.000 0.291 895 I C -1.949 174.166 176.117 -0.003 0.000 0.998 895 I CA -1.941 59.353 61.300 -0.011 0.000 1.227 895 I CB 1.681 39.721 38.000 0.068 0.000 1.368 895 I HN 0.344 nan 8.210 nan 0.000 0.466 896 P HA -0.027 nan 4.420 nan 0.000 0.269 896 P C 0.359 177.669 177.300 0.017 0.000 1.217 896 P CA -0.119 62.984 63.100 0.005 0.000 0.783 896 P CB 0.568 32.273 31.700 0.008 0.000 0.898 897 Q N 0.977 120.782 119.800 0.008 0.000 2.112 897 Q HA -0.175 4.151 4.340 -0.024 0.000 0.206 897 Q C 1.504 177.524 176.000 0.033 0.000 0.987 897 Q CA 1.921 57.733 55.803 0.015 0.000 0.858 897 Q CB -0.368 28.369 28.738 -0.001 0.000 0.905 897 Q HN 0.193 nan 8.270 nan 0.000 0.420 898 V N 1.159 121.090 119.914 0.028 0.000 2.343 898 V HA -0.231 3.874 4.120 -0.024 0.000 0.247 898 V C 1.398 177.550 176.094 0.095 0.000 1.051 898 V CA 2.073 64.398 62.300 0.041 0.000 1.036 898 V CB -0.547 31.291 31.823 0.025 0.000 0.654 898 V HN 0.338 nan 8.190 nan 0.000 0.451 899 D N -1.025 119.434 120.400 0.098 0.000 2.312 899 D HA 0.013 4.639 4.640 -0.024 0.000 0.211 899 D C 1.002 177.398 176.300 0.161 0.000 0.964 899 D CA 0.443 54.531 54.000 0.147 0.000 0.877 899 D CB -0.167 40.719 40.800 0.144 0.000 0.924 899 D HN 0.255 nan 8.370 nan 0.000 0.515 900 M N 1.632 121.286 119.600 0.089 0.000 2.238 900 M HA 0.112 4.578 4.480 -0.024 0.000 0.347 900 M C -2.142 174.146 176.300 -0.019 0.000 1.173 900 M CA -1.603 53.685 55.300 -0.021 0.000 1.147 900 M CB 0.348 32.951 32.600 0.006 0.000 1.547 900 M HN -0.222 nan 8.290 nan 0.000 0.455 901 P HA 0.010 nan 4.420 nan 0.000 0.262 901 P C -1.047 176.241 177.300 -0.020 0.000 1.455 901 P CA 0.150 63.133 63.100 -0.195 0.000 1.217 901 P CB -1.241 30.239 31.700 -0.367 0.000 1.625 902 Y N 1.055 121.372 120.300 0.027 0.000 2.357 902 Y HA 0.417 4.952 4.550 -0.024 0.000 0.340 902 Y C 0.487 176.354 175.900 -0.056 0.000 1.260 902 Y CA -0.800 57.300 58.100 -0.001 0.000 1.425 902 Y CB -0.331 38.119 38.460 -0.016 0.000 1.326 902 Y HN 0.061 nan 8.280 nan 0.000 0.580 903 T N 1.465 116.029 114.554 0.017 0.000 2.881 903 T HA 0.204 4.540 4.350 -0.024 0.000 0.278 903 T C 1.469 176.221 174.700 0.087 0.000 0.982 903 T CA -0.504 61.512 62.100 -0.140 0.000 0.989 903 T CB 1.534 70.194 68.868 -0.348 0.000 1.058 903 T HN 0.637 nan 8.240 nan 0.000 0.529 904 V N 0.796 120.720 119.914 0.016 0.000 2.252 904 V HA -0.132 3.973 4.120 -0.024 0.000 0.249 904 V C 1.678 177.772 176.094 -0.000 0.000 1.056 904 V CA 1.527 63.830 62.300 0.006 0.000 1.022 904 V CB -0.799 31.020 31.823 -0.007 0.000 0.641 904 V HN 0.855 nan 8.190 nan 0.000 0.445 905 K N 1.059 121.459 120.400 -0.001 0.000 2.457 905 K HA 0.476 4.782 4.320 -0.024 0.000 0.226 905 K C 0.458 177.065 176.600 0.013 0.000 1.114 905 K CA 0.572 56.859 56.287 -0.000 0.000 1.089 905 K CB 0.351 32.854 32.500 0.005 0.000 1.739 905 K HN 0.513 nan 8.250 nan 0.000 0.473 906 G N 0.817 109.615 108.800 -0.003 0.000 2.552 906 G HA2 -0.322 3.624 3.960 -0.024 0.000 0.265 906 G HA3 -0.322 3.624 3.960 -0.024 0.000 0.265 906 G C -0.285 174.624 174.900 0.016 0.000 1.234 906 G CA -0.129 44.966 45.100 -0.008 0.000 0.944 906 G HN 1.014 nan 8.290 nan 0.000 0.568 907 V N -1.924 118.001 119.914 0.018 0.000 4.923 907 V HA -0.031 4.074 4.120 -0.024 0.000 0.378 907 V C 1.008 177.159 176.094 0.095 0.000 0.678 907 V CA 1.496 63.819 62.300 0.037 0.000 1.503 907 V CB -2.111 29.709 31.823 -0.004 0.000 1.812 907 V HN 2.247 nan 8.190 nan 0.000 0.469 908 V N 3.468 123.457 119.914 0.125 0.000 2.997 908 V HA 0.914 5.019 4.120 -0.024 0.000 0.311 908 V C -1.538 174.676 176.094 0.200 0.000 1.066 908 V CA -2.021 60.386 62.300 0.178 0.000 1.039 908 V CB 1.658 33.541 31.823 0.101 0.000 1.081 908 V HN 0.576 nan 8.190 nan 0.000 0.467 909 P HA 0.411 nan 4.420 nan 0.000 0.281 909 P C -0.355 176.926 177.300 -0.033 0.000 1.249 909 P CA -0.315 62.792 63.100 0.012 0.000 0.810 909 P CB 1.129 32.712 31.700 -0.193 0.000 1.008 910 D N -0.209 120.159 120.400 -0.054 0.000 2.369 910 D HA 0.057 4.683 4.640 -0.024 0.000 0.231 910 D C 0.157 176.376 176.300 -0.136 0.000 0.967 910 D CA 1.095 55.059 54.000 -0.059 0.000 0.905 910 D CB 0.430 41.223 40.800 -0.011 0.000 1.044 910 D HN 0.101 nan 8.370 nan 0.000 0.487 911 V N 1.856 121.654 119.914 -0.193 0.000 2.555 911 V HA 0.351 4.456 4.120 -0.024 0.000 0.302 911 V C -0.459 175.481 176.094 -0.256 0.000 1.038 911 V CA -0.635 61.477 62.300 -0.312 0.000 0.887 911 V CB 2.134 33.623 31.823 -0.556 0.000 0.991 911 V HN -0.054 nan 8.190 nan 0.000 0.434 912 I N 5.219 125.659 120.570 -0.217 0.000 2.437 912 I HA 0.386 4.542 4.170 -0.024 0.000 0.279 912 I C -0.055 176.002 176.117 -0.101 0.000 1.028 912 I CA 0.210 61.418 61.300 -0.154 0.000 1.142 912 I CB 1.303 39.239 38.000 -0.106 0.000 1.266 912 I HN 0.456 nan 8.210 nan 0.000 0.461 913 L N 4.937 126.111 121.223 -0.082 0.000 2.479 913 L HA 0.382 4.707 4.340 -0.024 0.000 0.248 913 L C 0.479 177.345 176.870 -0.006 0.000 1.205 913 L CA -0.380 54.446 54.840 -0.024 0.000 0.817 913 L CB 0.725 42.793 42.059 0.014 0.000 1.162 913 L HN 0.616 nan 8.230 nan 0.000 0.486 914 N N 0.822 119.533 118.700 0.018 0.000 2.408 914 N HA 0.240 4.966 4.740 -0.024 0.000 0.280 914 N C -2.004 173.507 175.510 0.002 0.000 1.002 914 N CA -1.669 51.407 53.050 0.043 0.000 0.907 914 N CB 2.106 40.652 38.487 0.098 0.000 1.161 914 N HN 0.279 nan 8.380 nan 0.000 0.488 915 P HA -0.167 nan 4.420 nan 0.000 0.218 915 P C 0.372 177.534 177.300 -0.230 0.000 1.146 915 P CA 1.552 64.545 63.100 -0.179 0.000 0.820 915 P CB 0.192 31.750 31.700 -0.238 0.000 0.778 916 H N -0.145 118.907 119.070 -0.031 0.000 2.470 916 H HA 0.204 4.745 4.556 -0.024 0.000 0.289 916 H C 1.536 176.848 175.328 -0.027 0.000 1.033 916 H CA 0.962 56.993 56.048 -0.027 0.000 1.331 916 H CB -0.530 29.220 29.762 -0.021 0.000 1.414 916 H HN 0.090 nan 8.280 nan 0.000 0.545 917 A N 0.390 123.255 122.820 0.076 0.000 2.728 917 A HA 0.234 4.540 4.320 -0.024 0.000 0.258 917 A C 0.939 178.522 177.584 -0.002 0.000 1.454 917 A CA 0.317 52.377 52.037 0.039 0.000 1.146 917 A CB -0.644 18.381 19.000 0.041 0.000 0.985 917 A HN 0.419 nan 8.150 nan 0.000 0.603 918 L N -1.066 120.141 121.223 -0.026 0.000 2.603 918 L HA 0.152 4.477 4.340 -0.024 0.000 0.189 918 L C -0.885 175.950 176.870 -0.058 0.000 1.082 918 L CA 0.064 54.868 54.840 -0.060 0.000 0.921 918 L CB 0.121 42.113 42.059 -0.113 0.000 1.694 918 L HN 0.149 nan 8.230 nan 0.000 0.491 919 P HA -0.039 nan 4.420 nan 0.000 0.229 919 P C 1.315 178.599 177.300 -0.026 0.000 1.160 919 P CA 1.245 64.315 63.100 -0.050 0.000 0.777 919 P CB 0.185 31.852 31.700 -0.055 0.000 0.814 920 S N -0.049 115.644 115.700 -0.012 0.000 2.406 920 S HA -0.002 4.454 4.470 -0.024 0.000 0.224 920 S C 2.037 176.640 174.600 0.004 0.000 1.030 920 S CA 0.184 58.385 58.200 0.001 0.000 0.958 920 S CB -0.613 62.595 63.200 0.013 0.000 0.811 920 S HN -0.014 nan 8.310 nan 0.000 0.489 921 R N 1.169 121.671 120.500 0.003 0.000 2.093 921 R HA 0.261 4.586 4.340 -0.024 0.000 0.224 921 R C 0.694 176.990 176.300 -0.007 0.000 1.101 921 R CA 0.718 56.824 56.100 0.010 0.000 0.979 921 R CB -1.065 29.245 30.300 0.016 0.000 0.877 921 R HN 0.555 nan 8.270 nan 0.000 0.441 922 M N 1.108 120.693 119.600 -0.025 0.000 2.417 922 M HA -0.122 4.344 4.480 -0.024 0.000 0.205 922 M C -0.651 175.623 176.300 -0.044 0.000 0.452 922 M CA 0.948 56.227 55.300 -0.036 0.000 0.512 922 M CB -1.889 30.698 32.600 -0.022 0.000 1.774 922 M HN 0.148 nan 8.290 nan 0.000 0.874 923 T N -1.988 112.529 114.554 -0.061 0.000 3.477 923 T HA 0.429 4.765 4.350 -0.024 0.000 0.347 923 T C 1.210 175.826 174.700 -0.140 0.000 1.567 923 T CA -0.975 61.075 62.100 -0.083 0.000 1.169 923 T CB 0.552 69.377 68.868 -0.071 0.000 1.196 923 T HN 0.390 nan 8.240 nan 0.000 0.768 924 L N 1.813 122.971 121.223 -0.109 0.000 2.079 924 L HA -0.011 4.314 4.340 -0.024 0.000 0.210 924 L C 2.711 179.456 176.870 -0.209 0.000 1.081 924 L CA 2.131 56.880 54.840 -0.153 0.000 0.752 924 L CB -1.417 40.567 42.059 -0.126 0.000 0.896 924 L HN 0.755 nan 8.230 nan 0.000 0.433 925 G N -0.728 107.987 108.800 -0.143 0.000 2.462 925 G HA2 -0.360 3.585 3.960 -0.024 0.000 0.220 925 G HA3 -0.360 3.585 3.960 -0.024 0.000 0.220 925 G C 1.513 176.076 174.900 -0.561 0.000 1.121 925 G CA 0.937 45.957 45.100 -0.133 0.000 0.758 925 G HN 0.387 nan 8.290 nan 0.000 0.559 926 Q N 0.159 119.449 119.800 -0.850 0.000 2.050 926 Q HA -0.062 4.263 4.340 -0.024 0.000 0.202 926 Q C 2.443 178.301 176.000 -0.236 0.000 0.980 926 Q CA 1.140 56.533 55.803 -0.683 0.000 0.840 926 Q CB -0.281 28.221 28.738 -0.393 0.000 0.898 926 Q HN 0.373 nan 8.270 nan 0.000 0.424 927 I N 0.096 120.525 120.570 -0.235 0.000 2.179 927 I HA -0.257 3.899 4.170 -0.024 0.000 0.242 927 I C 2.290 178.377 176.117 -0.050 0.000 1.088 927 I CA 1.517 62.722 61.300 -0.159 0.000 1.357 927 I CB -1.005 36.853 38.000 -0.237 0.000 1.051 927 I HN 0.423 nan 8.210 nan 0.000 0.409 928 M N -0.223 119.256 119.600 -0.200 0.000 2.159 928 M HA -0.224 4.241 4.480 -0.024 0.000 0.263 928 M C 2.183 178.376 176.300 -0.179 0.000 1.063 928 M CA 1.585 56.678 55.300 -0.346 0.000 1.110 928 M CB -0.477 31.697 32.600 -0.710 0.000 1.374 928 M HN 0.222 nan 8.290 nan 0.000 0.411 929 E N 0.222 120.447 120.200 0.041 0.000 2.106 929 E HA -0.146 4.190 4.350 -0.024 0.000 0.192 929 E C 2.057 178.794 176.600 0.229 0.000 0.984 929 E CA 1.303 57.875 56.400 0.287 0.000 0.806 929 E CB -0.088 29.864 29.700 0.420 0.000 0.750 929 E HN 0.562 nan 8.360 nan 0.000 0.458 930 G N 1.268 110.195 108.800 0.212 0.000 2.418 930 G HA2 -0.224 3.721 3.960 -0.024 0.000 0.217 930 G HA3 -0.224 3.721 3.960 -0.024 0.000 0.217 930 G C 1.594 176.557 174.900 0.105 0.000 1.158 930 G CA 0.788 46.028 45.100 0.233 0.000 0.771 930 G HN 0.224 nan 8.290 nan 0.000 0.545 931 I N 1.300 121.926 120.570 0.093 0.000 2.315 931 I HA -0.067 4.088 4.170 -0.024 0.000 0.248 931 I C 3.223 179.379 176.117 0.065 0.000 1.117 931 I CA 0.906 62.219 61.300 0.023 0.000 1.404 931 I CB -0.213 37.790 38.000 0.005 0.000 1.071 931 I HN 0.209 nan 8.210 nan 0.000 0.419 932 A N 1.114 123.999 122.820 0.109 0.000 1.930 932 A HA -0.069 4.236 4.320 -0.024 0.000 0.217 932 A C 2.444 180.146 177.584 0.197 0.000 1.175 932 A CA 1.749 53.898 52.037 0.187 0.000 0.627 932 A CB -1.382 17.797 19.000 0.298 0.000 0.815 932 A HN 0.449 nan 8.150 nan 0.000 0.443 933 G N -0.246 108.649 108.800 0.158 0.000 2.443 933 G HA2 -0.216 3.730 3.960 -0.024 0.000 0.219 933 G HA3 -0.216 3.730 3.960 -0.024 0.000 0.219 933 G C 1.577 176.504 174.900 0.044 0.000 1.131 933 G CA 1.391 46.560 45.100 0.114 0.000 0.775 933 G HN 0.551 nan 8.290 nan 0.000 0.547 934 K N 0.249 120.664 120.400 0.025 0.000 2.002 934 K HA -0.147 4.158 4.320 -0.024 0.000 0.209 934 K C 2.091 178.654 176.600 -0.061 0.000 1.048 934 K CA 1.316 57.571 56.287 -0.054 0.000 0.930 934 K CB -0.779 31.679 32.500 -0.071 0.000 0.714 934 K HN 0.330 nan 8.250 nan 0.000 0.438 935 Y N 0.356 120.603 120.300 -0.087 0.000 2.181 935 Y HA -0.132 4.404 4.550 -0.024 0.000 0.288 935 Y C 1.906 177.722 175.900 -0.140 0.000 1.146 935 Y CA 1.907 59.941 58.100 -0.108 0.000 1.164 935 Y CB -0.621 37.821 38.460 -0.031 0.000 0.982 935 Y HN 0.142 nan 8.280 nan 0.000 0.515 936 A N 0.615 123.401 122.820 -0.057 0.000 1.940 936 A HA -0.140 4.166 4.320 -0.024 0.000 0.219 936 A C 2.384 179.834 177.584 -0.224 0.000 1.176 936 A CA 1.955 53.915 52.037 -0.128 0.000 0.631 936 A CB -1.461 17.561 19.000 0.037 0.000 0.814 936 A HN 0.634 nan 8.150 nan 0.000 0.446 937 A N -0.669 122.040 122.820 -0.186 0.000 1.968 937 A HA 0.146 4.452 4.320 -0.024 0.000 0.217 937 A C 2.121 179.543 177.584 -0.270 0.000 1.169 937 A CA 1.260 53.190 52.037 -0.179 0.000 0.638 937 A CB -0.394 18.527 19.000 -0.132 0.000 0.812 937 A HN 0.464 nan 8.150 nan 0.000 0.446 938 L N -0.186 120.788 121.223 -0.414 0.000 2.102 938 L HA -0.073 4.252 4.340 -0.024 0.000 0.202 938 L C 2.940 179.351 176.870 -0.766 0.000 1.076 938 L CA 1.464 55.987 54.840 -0.529 0.000 0.761 938 L CB -0.486 41.222 42.059 -0.585 0.000 0.921 938 L HN 0.528 nan 8.230 nan 0.000 0.444 939 S N -0.794 114.267 115.700 -1.065 0.000 2.425 939 S HA 0.096 4.551 4.470 -0.024 0.000 0.225 939 S C 1.711 176.082 174.600 -0.381 0.000 1.024 939 S CA 0.703 58.370 58.200 -0.889 0.000 0.951 939 S CB 0.375 62.939 63.200 -1.059 0.000 0.796 939 S HN 0.548 nan 8.310 nan 0.000 0.498 940 G N 1.539 110.125 108.800 -0.357 0.000 2.258 940 G HA2 -0.253 3.692 3.960 -0.024 0.000 0.233 940 G HA3 -0.253 3.692 3.960 -0.024 0.000 0.233 940 G C -0.196 174.633 174.900 -0.119 0.000 1.006 940 G CA -0.075 44.919 45.100 -0.178 0.000 0.620 940 G HN 0.661 nan 8.290 nan 0.000 0.511 941 N N 1.238 119.859 118.700 -0.131 0.000 2.470 941 N HA 0.508 5.233 4.740 -0.024 0.000 0.268 941 N C 1.833 177.367 175.510 0.040 0.000 1.136 941 N CA 0.124 53.173 53.050 -0.001 0.000 0.961 941 N CB 1.056 39.602 38.487 0.097 0.000 1.067 941 N HN 0.494 nan 8.380 nan 0.000 0.468 942 I N 0.009 120.610 120.570 0.052 0.000 2.286 942 I HA 0.008 4.164 4.170 -0.024 0.000 0.245 942 I C 0.065 176.247 176.117 0.108 0.000 1.104 942 I CA 0.040 61.377 61.300 0.061 0.000 1.397 942 I CB -0.109 37.908 38.000 0.029 0.000 1.072 942 I HN 0.255 nan 8.210 nan 0.000 0.417 943 V N 3.391 123.371 119.914 0.111 0.000 3.493 943 V HA -0.185 3.921 4.120 -0.024 0.000 0.498 943 V C -0.505 175.609 176.094 0.033 0.000 0.682 943 V CA 0.732 63.094 62.300 0.103 0.000 2.046 943 V CB -1.045 30.878 31.823 0.167 0.000 2.479 943 V HN 0.896 nan 8.190 nan 0.000 0.507 944 D N 4.534 124.931 120.400 -0.004 0.000 2.304 944 D HA 0.586 5.212 4.640 -0.024 0.000 0.247 944 D C 0.416 176.625 176.300 -0.150 0.000 1.089 944 D CA -0.063 53.894 54.000 -0.072 0.000 0.910 944 D CB 2.123 42.883 40.800 -0.067 0.000 1.199 944 D HN 1.002 nan 8.370 nan 0.000 0.426 945 A N 2.036 124.671 122.820 -0.309 0.000 2.676 945 A HA 0.237 4.543 4.320 -0.024 0.000 0.297 945 A C 0.354 177.693 177.584 -0.408 0.000 1.132 945 A CA -0.657 50.969 52.037 -0.686 0.000 0.972 945 A CB -0.350 17.834 19.000 -1.360 0.000 1.197 945 A HN 0.518 nan 8.150 nan 0.000 0.524 946 T N 4.328 118.774 114.554 -0.179 0.000 2.831 946 T HA 0.218 4.553 4.350 -0.024 0.000 0.291 946 T C -2.408 172.234 174.700 -0.098 0.000 0.981 946 T CA -0.225 61.831 62.100 -0.074 0.000 1.174 946 T CB 0.083 68.989 68.868 0.064 0.000 0.929 946 T HN 0.324 nan 8.240 nan 0.000 0.532 947 P HA 0.001 nan 4.420 nan 0.000 0.263 947 P C -0.222 176.945 177.300 -0.223 0.000 1.168 947 P CA 0.108 62.983 63.100 -0.374 0.000 0.759 947 P CB -0.270 31.172 31.700 -0.430 0.000 0.782 948 F N 0.547 120.441 119.950 -0.095 0.000 2.137 948 F HA -0.244 4.269 4.527 -0.024 0.000 0.491 948 F C 1.172 177.026 175.800 0.089 0.000 1.255 948 F CA 0.581 58.556 58.000 -0.041 0.000 1.583 948 F CB -2.534 36.398 39.000 -0.114 0.000 2.521 948 F HN 0.543 nan 8.300 nan 0.000 0.727 949 Y N 1.359 121.732 120.300 0.121 0.000 2.799 949 Y HA -0.530 4.005 4.550 -0.025 0.000 0.472 949 Y C 1.714 177.662 175.900 0.080 0.000 1.164 949 Y CA 3.804 61.958 58.100 0.090 0.000 2.709 949 Y CB -1.264 37.247 38.460 0.085 0.000 1.143 949 Y HN 0.983 nan 8.280 nan 0.000 0.607 950 K N 0.578 121.145 120.400 0.278 0.000 2.963 950 K HA -0.250 4.056 4.320 -0.024 0.000 0.279 950 K C 0.092 176.739 176.600 0.078 0.000 1.064 950 K CA 1.910 58.286 56.287 0.149 0.000 0.830 950 K CB -2.692 29.843 32.500 0.059 0.000 1.217 950 K HN 1.142 nan 8.250 nan 0.000 0.447 951 T N -0.382 114.114 114.554 -0.096 0.000 1.004 951 T HA -0.054 4.281 4.350 -0.024 0.000 0.725 951 T C -2.436 172.199 174.700 -0.109 0.000 0.981 951 T CA 0.016 62.027 62.100 -0.148 0.000 3.835 951 T CB -0.178 68.686 68.868 -0.008 0.000 2.176 951 T HN 0.281 nan 8.240 nan 0.000 0.393 952 P HA 0.039 nan 4.420 nan 0.000 0.263 952 P C 1.684 178.935 177.300 -0.083 0.000 1.175 952 P CA -0.432 62.602 63.100 -0.109 0.000 0.761 952 P CB 0.285 31.914 31.700 -0.119 0.000 0.794 953 I N 3.413 123.929 120.570 -0.090 0.000 2.264 953 I HA -0.243 3.912 4.170 -0.024 0.000 0.248 953 I C 1.516 177.570 176.117 -0.106 0.000 1.111 953 I CA 1.949 63.175 61.300 -0.122 0.000 1.382 953 I CB -1.789 36.086 38.000 -0.208 0.000 1.060 953 I HN 0.465 nan 8.210 nan 0.000 0.418 954 E N 1.505 121.652 120.200 -0.088 0.000 2.204 954 E HA -0.287 4.048 4.350 -0.024 0.000 0.195 954 E C 2.121 178.686 176.600 -0.058 0.000 0.990 954 E CA 1.040 57.402 56.400 -0.064 0.000 0.821 954 E CB -0.532 29.138 29.700 -0.050 0.000 0.750 954 E HN 0.688 nan 8.360 nan 0.000 0.477 955 Q N 0.766 120.522 119.800 -0.073 0.000 2.170 955 Q HA -0.105 4.221 4.340 -0.024 0.000 0.203 955 Q C 2.206 178.139 176.000 -0.111 0.000 0.976 955 Q CA 1.026 56.786 55.803 -0.071 0.000 0.858 955 Q CB 0.046 28.742 28.738 -0.070 0.000 0.907 955 Q HN 0.412 nan 8.270 nan 0.000 0.433 956 L N -0.369 120.749 121.223 -0.174 0.000 2.162 956 L HA -0.093 4.233 4.340 -0.024 0.000 0.205 956 L C 2.286 179.104 176.870 -0.087 0.000 1.086 956 L CA 0.685 55.352 54.840 -0.289 0.000 0.778 956 L CB -0.263 41.550 42.059 -0.410 0.000 0.928 956 L HN 0.180 nan 8.230 nan 0.000 0.446 957 Q N 0.146 119.916 119.800 -0.050 0.000 2.364 957 Q HA -0.132 4.193 4.340 -0.024 0.000 0.209 957 Q C 1.605 177.627 176.000 0.036 0.000 0.977 957 Q CA 0.895 56.700 55.803 0.004 0.000 0.885 957 Q CB 0.042 28.771 28.738 -0.016 0.000 0.941 957 Q HN 0.520 nan 8.270 nan 0.000 0.464 958 N N -0.010 118.707 118.700 0.028 0.000 2.368 958 N HA -0.071 4.655 4.740 -0.024 0.000 0.176 958 N C 1.276 176.841 175.510 0.091 0.000 1.021 958 N CA 0.633 53.711 53.050 0.046 0.000 0.888 958 N CB 0.159 38.660 38.487 0.025 0.000 0.995 958 N HN 0.190 nan 8.380 nan 0.000 0.437 959 E N 1.196 121.470 120.200 0.123 0.000 2.208 959 E HA -0.023 4.313 4.350 -0.024 0.000 0.193 959 E C 2.032 178.884 176.600 0.420 0.000 0.988 959 E CA 0.358 56.912 56.400 0.256 0.000 0.828 959 E CB 0.062 29.947 29.700 0.308 0.000 0.763 959 E HN 0.546 nan 8.360 nan 0.000 0.478 960 I N -1.150 119.622 120.570 0.336 0.000 2.546 960 I HA -0.131 4.025 4.170 -0.024 0.000 0.255 960 I C 2.559 178.851 176.117 0.291 0.000 1.163 960 I CA 0.660 62.166 61.300 0.344 0.000 1.457 960 I CB -0.441 37.693 38.000 0.223 0.000 1.092 960 I HN -0.035 nan 8.210 nan 0.000 0.434 961 L N 1.524 122.862 121.223 0.192 0.000 2.093 961 L HA -0.152 4.173 4.340 -0.024 0.000 0.208 961 L C 2.653 179.588 176.870 0.108 0.000 1.085 961 L CA 1.590 56.508 54.840 0.131 0.000 0.755 961 L CB -0.277 41.829 42.059 0.078 0.000 0.904 961 L HN 0.127 nan 8.230 nan 0.000 0.435 962 K N -1.025 119.432 120.400 0.094 0.000 2.147 962 K HA -0.171 4.135 4.320 -0.024 0.000 0.205 962 K C 1.532 178.094 176.600 -0.063 0.000 1.049 962 K CA 1.385 57.660 56.287 -0.020 0.000 0.936 962 K CB -0.223 32.217 32.500 -0.099 0.000 0.722 962 K HN 0.335 nan 8.250 nan 0.000 0.446 963 Y N 0.181 120.545 120.300 0.106 0.000 2.502 963 Y HA 0.065 4.600 4.550 -0.024 0.000 0.295 963 Y C 1.356 177.343 175.900 0.145 0.000 1.193 963 Y CA 0.609 58.783 58.100 0.124 0.000 1.295 963 Y CB 0.476 39.020 38.460 0.140 0.000 1.059 963 Y HN 0.281 nan 8.280 nan 0.000 0.514 964 G N -1.377 107.526 108.800 0.173 0.000 2.141 964 G HA2 -0.279 3.667 3.960 -0.024 0.000 0.231 964 G HA3 -0.279 3.667 3.960 -0.024 0.000 0.231 964 G C -0.405 174.363 174.900 -0.220 0.000 0.984 964 G CA -0.402 44.680 45.100 -0.031 0.000 0.660 964 G HN 0.330 nan 8.290 nan 0.000 0.525 965 Y N -0.912 119.429 120.300 0.068 0.000 2.570 965 Y HA 0.683 5.219 4.550 -0.024 0.000 0.345 965 Y C 0.961 176.883 175.900 0.037 0.000 1.014 965 Y CA -1.196 56.927 58.100 0.038 0.000 1.063 965 Y CB 1.212 39.691 38.460 0.032 0.000 1.272 965 Y HN 0.091 nan 8.280 nan 0.000 0.477 966 L N 4.726 126.054 121.223 0.174 0.000 2.490 966 L HA 0.048 4.373 4.340 -0.024 0.000 0.274 966 L C -1.299 175.630 176.870 0.098 0.000 1.201 966 L CA -1.001 53.899 54.840 0.101 0.000 0.869 966 L CB 0.496 42.598 42.059 0.072 0.000 1.123 966 L HN 0.526 nan 8.230 nan 0.000 0.484 967 P HA -0.148 nan 4.420 nan 0.000 0.226 967 P C 0.699 178.024 177.300 0.042 0.000 1.153 967 P CA 0.796 63.933 63.100 0.061 0.000 0.777 967 P CB 0.288 32.015 31.700 0.046 0.000 0.794 968 D N 0.176 120.601 120.400 0.042 0.000 2.312 968 D HA 0.015 4.641 4.640 -0.024 0.000 0.211 968 D C 1.040 177.361 176.300 0.034 0.000 0.964 968 D CA 0.956 54.982 54.000 0.042 0.000 0.877 968 D CB -0.513 40.316 40.800 0.047 0.000 0.924 968 D HN 0.056 nan 8.370 nan 0.000 0.515 969 A N -0.466 122.356 122.820 0.004 0.000 2.860 969 A HA -0.160 4.145 4.320 -0.024 0.000 0.267 969 A C 0.685 178.196 177.584 -0.122 0.000 1.421 969 A CA 1.390 53.371 52.037 -0.094 0.000 0.831 969 A CB -2.801 16.076 19.000 -0.205 0.000 1.041 969 A HN 0.472 nan 8.150 nan 0.000 0.623 970 T N -1.351 113.210 114.554 0.012 0.000 3.331 970 T HA 0.560 4.896 4.350 -0.024 0.000 0.381 970 T C -0.324 174.423 174.700 0.079 0.000 1.656 970 T CA -0.037 62.107 62.100 0.073 0.000 1.453 970 T CB 0.291 69.222 68.868 0.104 0.000 1.066 970 T HN 0.484 nan 8.240 nan 0.000 0.655 971 E N 1.144 121.386 120.200 0.070 0.000 2.413 971 E HA 0.227 4.562 4.350 -0.024 0.000 0.263 971 E C 0.306 176.899 176.600 -0.012 0.000 1.015 971 E CA -0.530 55.875 56.400 0.010 0.000 0.916 971 E CB 1.172 30.823 29.700 -0.082 0.000 0.947 971 E HN 0.479 nan 8.360 nan 0.000 0.440 972 V N 3.566 123.474 119.914 -0.010 0.000 2.637 972 V HA 0.150 4.256 4.120 -0.024 0.000 0.296 972 V C -0.218 175.863 176.094 -0.021 0.000 1.046 972 V CA 0.329 62.623 62.300 -0.010 0.000 1.066 972 V CB 0.711 32.536 31.823 0.003 0.000 0.968 972 V HN 0.830 nan 8.190 nan 0.000 0.483 973 T N 4.215 118.737 114.554 -0.053 0.000 2.916 973 T HA 0.636 4.971 4.350 -0.024 0.000 0.292 973 T C -1.226 173.374 174.700 -0.168 0.000 1.055 973 T CA -0.539 61.516 62.100 -0.076 0.000 1.009 973 T CB 1.551 70.382 68.868 -0.061 0.000 1.118 973 T HN 0.483 nan 8.240 nan 0.000 0.497 974 Y N 0.439 120.416 120.300 -0.537 0.000 2.328 974 Y HA 0.359 4.894 4.550 -0.024 0.000 0.333 974 Y C 0.281 175.832 175.900 -0.582 0.000 0.958 974 Y CA -1.270 56.474 58.100 -0.593 0.000 1.167 974 Y CB 1.205 39.187 38.460 -0.797 0.000 1.151 974 Y HN 0.702 nan 8.280 nan 0.000 0.470 975 D N 2.691 123.023 120.400 -0.112 0.000 2.455 975 D HA -0.023 4.602 4.640 -0.024 0.000 0.265 975 D C 1.310 177.684 176.300 0.124 0.000 1.284 975 D CA 0.694 54.714 54.000 0.033 0.000 0.944 975 D CB 1.010 41.888 40.800 0.130 0.000 1.121 975 D HN 0.958 nan 8.370 nan 0.000 0.525 976 G N 4.268 113.183 108.800 0.192 0.000 2.625 976 G HA2 -0.226 3.720 3.960 -0.024 0.000 0.214 976 G HA3 -0.226 3.720 3.960 -0.024 0.000 0.214 976 G C 1.449 176.507 174.900 0.263 0.000 1.132 976 G CA 0.207 45.550 45.100 0.405 0.000 0.782 976 G HN 0.554 nan 8.290 nan 0.000 0.538 977 R N -0.757 119.873 120.500 0.216 0.000 2.223 977 R HA 0.104 4.430 4.340 -0.024 0.000 0.198 977 R C 1.878 178.259 176.300 0.135 0.000 0.984 977 R CA 1.399 57.597 56.100 0.164 0.000 1.018 977 R CB -0.574 29.823 30.300 0.163 0.000 0.945 977 R HN 0.205 nan 8.270 nan 0.000 0.479 978 T N -1.467 113.174 114.554 0.146 0.000 3.026 978 T HA 0.269 4.605 4.350 -0.024 0.000 0.245 978 T C 1.265 176.047 174.700 0.135 0.000 1.004 978 T CA 1.224 63.393 62.100 0.115 0.000 1.069 978 T CB 0.192 69.115 68.868 0.092 0.000 1.005 978 T HN 0.506 nan 8.240 nan 0.000 0.472 979 G N 1.452 110.368 108.800 0.193 0.000 2.254 979 G HA2 -0.212 3.733 3.960 -0.024 0.000 0.225 979 G HA3 -0.212 3.733 3.960 -0.024 0.000 0.225 979 G C 0.134 175.203 174.900 0.280 0.000 1.003 979 G CA 0.281 45.530 45.100 0.248 0.000 0.622 979 G HN 0.904 nan 8.290 nan 0.000 0.507 980 Q N 1.314 121.214 119.800 0.167 0.000 2.354 980 Q HA 0.522 4.847 4.340 -0.024 0.000 0.244 980 Q C 0.313 176.295 176.000 -0.030 0.000 0.969 980 Q CA -0.005 55.856 55.803 0.097 0.000 0.885 980 Q CB 0.746 29.505 28.738 0.035 0.000 1.241 980 Q HN 0.625 nan 8.270 nan 0.000 0.461 981 K N 1.289 121.476 120.400 -0.356 0.000 2.118 981 K HA 0.346 4.652 4.320 -0.024 0.000 0.264 981 K C 0.172 176.533 176.600 -0.398 0.000 1.000 981 K CA -0.778 54.983 56.287 -0.876 0.000 0.929 981 K CB 0.632 32.043 32.500 -1.815 0.000 1.021 981 K HN 0.628 nan 8.250 nan 0.000 0.463 982 I N -0.768 119.614 120.570 -0.314 0.000 2.968 982 I HA 0.090 4.246 4.170 -0.024 0.000 0.200 982 I C 1.002 177.026 176.117 -0.155 0.000 1.327 982 I CA -0.056 61.151 61.300 -0.155 0.000 0.725 982 I CB 0.238 38.193 38.000 -0.077 0.000 1.758 982 I HN 0.852 nan 8.210 nan 0.000 0.997 983 K N -1.142 119.207 120.400 -0.085 0.000 2.474 983 K HA 0.208 4.514 4.320 -0.024 0.000 0.204 983 K C 1.789 178.362 176.600 -0.046 0.000 1.220 983 K CA 0.486 56.732 56.287 -0.068 0.000 0.966 983 K CB 0.458 32.932 32.500 -0.043 0.000 1.049 983 K HN 0.703 nan 8.250 nan 0.000 0.554 984 S N -0.088 115.595 115.700 -0.029 0.000 2.468 984 S HA 0.230 4.685 4.470 -0.024 0.000 0.226 984 S C -0.628 173.974 174.600 0.003 0.000 1.051 984 S CA 0.099 58.294 58.200 -0.008 0.000 0.943 984 S CB 0.038 63.241 63.200 0.006 0.000 0.810 984 S HN 0.285 nan 8.310 nan 0.000 0.509 985 R N 0.218 120.723 120.500 0.009 0.000 1.006 985 R HA -0.046 4.279 4.340 -0.024 0.000 0.432 985 R C -1.933 174.416 176.300 0.080 0.000 1.343 985 R CA 0.143 56.264 56.100 0.036 0.000 0.824 985 R CB -0.958 29.362 30.300 0.033 0.000 2.802 985 R HN 0.248 nan 8.270 nan 0.000 0.525 986 I N 3.867 124.518 120.570 0.135 0.000 2.433 986 I HA 0.124 4.279 4.170 -0.024 0.000 0.292 986 I C 0.318 176.616 176.117 0.302 0.000 1.001 986 I CA -0.806 60.623 61.300 0.216 0.000 1.119 986 I CB 1.103 39.270 38.000 0.278 0.000 1.289 986 I HN 0.532 nan 8.210 nan 0.000 0.438 987 Y N 6.827 127.186 120.300 0.098 0.000 2.770 987 Y HA 0.065 4.601 4.550 -0.024 0.000 0.342 987 Y C -1.140 174.797 175.900 0.062 0.000 1.221 987 Y CA 0.533 58.677 58.100 0.072 0.000 1.560 987 Y CB -0.037 38.419 38.460 -0.007 0.000 1.213 987 Y HN 0.323 nan 8.280 nan 0.000 0.525 988 F N 4.963 124.729 119.950 -0.306 0.000 2.449 988 F HA 0.649 5.161 4.527 -0.024 0.000 0.342 988 F C 0.524 176.048 175.800 -0.459 0.000 1.127 988 F CA -0.243 57.615 58.000 -0.237 0.000 0.975 988 F CB 1.670 40.597 39.000 -0.121 0.000 1.146 988 F HN 0.634 nan 8.300 nan 0.000 0.444 989 G N 1.936 110.582 108.800 -0.258 0.000 2.766 989 G HA2 0.628 4.574 3.960 -0.024 0.000 0.288 989 G HA3 0.628 4.574 3.960 -0.024 0.000 0.288 989 G C -2.104 172.796 174.900 0.000 0.000 1.408 989 G CA -0.782 44.197 45.100 -0.202 0.000 0.852 989 G HN 0.327 nan 8.290 nan 0.000 0.487 990 V N 0.463 120.410 119.914 0.055 0.000 2.350 990 V HA 0.552 4.658 4.120 -0.024 0.000 0.285 990 V C -0.503 175.710 176.094 0.198 0.000 1.014 990 V CA -0.570 61.796 62.300 0.111 0.000 0.831 990 V CB 1.129 33.003 31.823 0.085 0.000 1.000 990 V HN 0.505 nan 8.190 nan 0.000 0.433 991 V N 5.016 125.084 119.914 0.257 0.000 2.531 991 V HA 0.335 4.441 4.120 -0.024 0.000 0.301 991 V C -0.746 175.614 176.094 0.444 0.000 1.034 991 V CA -0.949 61.569 62.300 0.363 0.000 0.865 991 V CB 1.958 34.034 31.823 0.423 0.000 0.995 991 V HN 0.778 nan 8.190 nan 0.000 0.424 992 Y N 5.605 126.068 120.300 0.272 0.000 2.605 992 Y HA 0.317 4.852 4.550 -0.024 0.000 0.336 992 Y C -0.669 175.403 175.900 0.288 0.000 1.111 992 Y CA 0.323 58.579 58.100 0.260 0.000 1.422 992 Y CB -0.002 38.562 38.460 0.174 0.000 1.193 992 Y HN 0.577 nan 8.280 nan 0.000 0.526 993 Y N 3.985 124.247 120.300 -0.063 0.000 2.528 993 Y HA 0.428 4.963 4.550 -0.024 0.000 0.335 993 Y C -0.637 175.208 175.900 -0.091 0.000 1.093 993 Y CA -0.808 57.304 58.100 0.020 0.000 1.134 993 Y CB 1.814 40.361 38.460 0.144 0.000 1.253 993 Y HN 0.524 nan 8.280 nan 0.000 0.478 994 Q N 1.502 121.343 119.800 0.070 0.000 2.305 994 Q HA 0.413 4.739 4.340 -0.024 0.000 0.271 994 Q C -1.512 174.417 176.000 -0.120 0.000 1.046 994 Q CA -1.244 54.571 55.803 0.021 0.000 0.798 994 Q CB 2.561 31.323 28.738 0.040 0.000 1.286 994 Q HN 0.468 nan 8.270 nan 0.000 0.435 995 K N 2.651 122.912 120.400 -0.232 0.000 2.276 995 K HA 0.298 4.604 4.320 -0.024 0.000 0.283 995 K C -1.028 175.352 176.600 -0.366 0.000 1.044 995 K CA -0.431 55.476 56.287 -0.633 0.000 0.944 995 K CB 0.585 32.761 32.500 -0.541 0.000 1.012 995 K HN 0.541 nan 8.250 nan 0.000 0.472 996 L N 3.494 124.474 121.223 -0.406 0.000 2.375 996 L HA 0.233 4.559 4.340 -0.024 0.000 0.268 996 L C 0.991 177.668 176.870 -0.321 0.000 1.058 996 L CA -0.071 54.603 54.840 -0.277 0.000 0.803 996 L CB 1.171 43.123 42.059 -0.179 0.000 1.212 996 L HN 0.795 nan 8.230 nan 0.000 0.451 997 H N -1.563 117.276 119.070 -0.385 0.000 2.556 997 H HA 0.073 4.614 4.556 -0.024 0.000 0.268 997 H C -0.130 174.983 175.328 -0.359 0.000 0.996 997 H CA 0.270 56.026 56.048 -0.486 0.000 1.157 997 H CB -0.580 28.779 29.762 -0.671 0.000 1.355 997 H HN 0.355 nan 8.280 nan 0.000 0.597 998 H N 1.570 120.416 119.070 -0.373 0.000 3.067 998 H HA 0.197 4.739 4.556 -0.024 0.000 0.265 998 H C -0.099 175.148 175.328 -0.135 0.000 1.234 998 H CA 0.064 55.980 56.048 -0.220 0.000 1.452 998 H CB -0.046 29.573 29.762 -0.238 0.000 1.527 998 H HN 0.379 nan 8.280 nan 0.000 0.486 999 M N 1.811 121.400 119.600 -0.018 0.000 2.472 999 M HA 0.081 4.547 4.480 -0.024 0.000 0.331 999 M C 1.525 177.811 176.300 -0.025 0.000 1.170 999 M CA -0.657 54.625 55.300 -0.031 0.000 1.009 999 M CB 2.823 35.386 32.600 -0.063 0.000 1.672 999 M HN 0.268 nan 8.290 nan 0.000 0.453 1000 V N 2.202 122.110 119.914 -0.009 0.000 2.515 1000 V HA -0.142 3.963 4.120 -0.024 0.000 0.250 1000 V C 1.888 177.972 176.094 -0.018 0.000 1.058 1000 V CA 2.514 64.811 62.300 -0.005 0.000 1.064 1000 V CB -0.096 31.731 31.823 0.007 0.000 0.675 1000 V HN 1.001 nan 8.190 nan 0.000 0.461 1001 A N -1.060 121.737 122.820 -0.038 0.000 2.239 1001 A HA -0.059 4.247 4.320 -0.024 0.000 0.209 1001 A C 1.614 179.153 177.584 -0.076 0.000 1.171 1001 A CA 1.250 53.258 52.037 -0.048 0.000 0.768 1001 A CB -0.384 18.584 19.000 -0.054 0.000 0.790 1001 A HN 0.622 nan 8.150 nan 0.000 0.478 1002 D N -0.878 119.468 120.400 -0.090 0.000 2.366 1002 D HA 0.041 4.667 4.640 -0.024 0.000 0.205 1002 D C 1.436 177.711 176.300 -0.043 0.000 1.022 1002 D CA 0.529 54.467 54.000 -0.103 0.000 0.868 1002 D CB 0.300 41.008 40.800 -0.154 0.000 0.953 1002 D HN 0.171 nan 8.370 nan 0.000 0.514 1003 K N 0.421 120.814 120.400 -0.011 0.000 2.313 1003 K HA 0.183 4.488 4.320 -0.024 0.000 0.197 1003 K C 1.184 177.825 176.600 0.067 0.000 1.061 1003 K CA -0.376 55.925 56.287 0.023 0.000 0.980 1003 K CB 0.675 33.192 32.500 0.029 0.000 0.888 1003 K HN 0.166 nan 8.250 nan 0.000 0.502 1004 I N 2.627 123.230 120.570 0.055 0.000 2.906 1004 I HA -0.207 3.949 4.170 -0.024 0.000 0.302 1004 I C -0.309 175.907 176.117 0.166 0.000 1.220 1004 I CA 1.032 62.382 61.300 0.083 0.000 1.441 1004 I CB 0.133 38.160 38.000 0.045 0.000 1.336 1004 I HN 0.291 nan 8.210 nan 0.000 0.565 1005 H N 6.499 125.589 119.070 0.034 0.000 2.734 1005 H HA 0.430 4.972 4.556 -0.024 0.000 0.247 1005 H C -0.913 174.448 175.328 0.055 0.000 1.415 1005 H CA -0.667 55.412 56.048 0.053 0.000 1.514 1005 H CB 0.560 30.349 29.762 0.045 0.000 1.841 1005 H HN 0.772 nan 8.280 nan 0.000 0.609 1006 A N 3.179 126.075 122.820 0.127 0.000 2.340 1006 A HA 0.604 4.909 4.320 -0.024 0.000 0.268 1006 A C -0.075 177.540 177.584 0.053 0.000 1.100 1006 A CA -0.453 51.606 52.037 0.037 0.000 0.803 1006 A CB 0.420 19.457 19.000 0.061 0.000 1.043 1006 A HN 0.799 nan 8.150 nan 0.000 0.488 1007 R N 1.826 122.315 120.500 -0.018 0.000 2.631 1007 R HA 0.448 4.774 4.340 -0.024 0.000 0.289 1007 R C 0.336 176.634 176.300 -0.003 0.000 1.303 1007 R CA 0.055 56.153 56.100 -0.003 0.000 0.989 1007 R CB 1.497 31.765 30.300 -0.052 0.000 1.208 1007 R HN 0.716 nan 8.270 nan 0.000 0.461 1008 A N 2.733 125.563 122.820 0.017 0.000 1.871 1008 A HA 0.172 4.478 4.320 -0.024 0.000 0.211 1008 A C 0.783 178.370 177.584 0.005 0.000 1.207 1008 A CA 0.887 52.931 52.037 0.011 0.000 0.620 1008 A CB 0.307 19.320 19.000 0.022 0.000 0.860 1008 A HN 0.537 nan 8.150 nan 0.000 0.450 1009 R N -2.172 118.332 120.500 0.008 0.000 2.563 1009 R HA 0.487 4.812 4.340 -0.024 0.000 0.262 1009 R C -0.651 175.647 176.300 -0.003 0.000 1.128 1009 R CA 0.280 56.381 56.100 0.001 0.000 0.969 1009 R CB 1.345 31.647 30.300 0.003 0.000 1.251 1009 R HN 0.570 nan 8.270 nan 0.000 0.442 1010 G N 2.604 111.398 108.800 -0.011 0.000 2.827 1010 G HA2 0.614 4.559 3.960 -0.024 0.000 0.296 1010 G HA3 0.614 4.559 3.960 -0.024 0.000 0.296 1010 G C -2.687 172.199 174.900 -0.022 0.000 1.362 1010 G CA -0.879 44.209 45.100 -0.021 0.000 0.809 1010 G HN 0.473 nan 8.290 nan 0.000 0.522 1011 P HA 0.508 nan 4.420 nan 0.000 0.275 1011 P C -0.418 176.867 177.300 -0.025 0.000 1.266 1011 P CA -0.268 62.814 63.100 -0.029 0.000 0.793 1011 P CB 1.262 32.944 31.700 -0.030 0.000 1.074 1012 V N -3.813 116.082 119.914 -0.031 0.000 3.007 1012 V HA 0.367 4.473 4.120 -0.024 0.000 0.311 1012 V C -0.264 175.813 176.094 -0.027 0.000 1.120 1012 V CA -1.145 61.138 62.300 -0.029 0.000 0.980 1012 V CB 1.585 33.380 31.823 -0.045 0.000 1.033 1012 V HN 0.447 nan 8.190 nan 0.000 0.429 1013 Q N 2.260 122.052 119.800 -0.012 0.000 2.286 1013 Q HA 0.176 4.501 4.340 -0.024 0.000 0.290 1013 Q C 1.501 177.490 176.000 -0.019 0.000 1.049 1013 Q CA 0.634 56.434 55.803 -0.004 0.000 0.923 1013 Q CB 1.297 30.043 28.738 0.014 0.000 1.183 1013 Q HN 0.926 nan 8.270 nan 0.000 0.383 1014 I N -0.610 119.949 120.570 -0.018 0.000 2.423 1014 I HA -0.281 3.874 4.170 -0.024 0.000 0.254 1014 I C 1.758 177.866 176.117 -0.016 0.000 1.151 1014 I CA 1.138 62.420 61.300 -0.029 0.000 1.421 1014 I CB -0.320 37.669 38.000 -0.019 0.000 1.079 1014 I HN 0.505 nan 8.210 nan 0.000 0.431 1015 L N 1.765 123.001 121.223 0.021 0.000 2.084 1015 L HA -0.043 4.282 4.340 -0.024 0.000 0.202 1015 L C 2.602 179.565 176.870 0.155 0.000 1.074 1015 L CA 2.557 57.442 54.840 0.074 0.000 0.757 1015 L CB -0.925 41.169 42.059 0.059 0.000 0.918 1015 L HN 0.504 nan 8.230 nan 0.000 0.444 1016 T N -3.195 111.430 114.554 0.119 0.000 3.081 1016 T HA 0.022 4.358 4.350 -0.024 0.000 0.255 1016 T C 1.063 175.856 174.700 0.155 0.000 1.113 1016 T CA -0.091 62.117 62.100 0.180 0.000 1.082 1016 T CB -0.156 68.779 68.868 0.112 0.000 0.939 1016 T HN 0.382 nan 8.240 nan 0.000 0.506 1017 R N 1.236 121.722 120.500 -0.023 0.000 3.416 1017 R HA -0.145 4.180 4.340 -0.024 0.000 0.263 1017 R C -0.553 175.727 176.300 -0.033 0.000 1.053 1017 R CA 0.523 56.541 56.100 -0.137 0.000 0.705 1017 R CB -1.959 28.076 30.300 -0.440 0.000 1.124 1017 R HN 0.653 nan 8.270 nan 0.000 0.444 1018 Q N -0.628 119.178 119.800 0.011 0.000 2.387 1018 Q HA 0.432 4.757 4.340 -0.024 0.000 0.273 1018 Q C -2.458 173.552 176.000 0.018 0.000 1.089 1018 Q CA -2.524 53.297 55.803 0.029 0.000 0.824 1018 Q CB 2.184 30.957 28.738 0.058 0.000 1.367 1018 Q HN -0.146 nan 8.270 nan 0.000 0.443 1019 P HA -0.125 nan 4.420 nan 0.000 0.268 1019 P C -0.523 176.791 177.300 0.024 0.000 1.189 1019 P CA 0.487 63.597 63.100 0.017 0.000 0.771 1019 P CB 0.333 32.047 31.700 0.024 0.000 0.822 1020 T N -0.948 113.618 114.554 0.019 0.000 2.902 1020 T HA 0.335 4.670 4.350 -0.024 0.000 0.280 1020 T C -0.084 174.639 174.700 0.039 0.000 0.992 1020 T CA -0.812 61.301 62.100 0.022 0.000 1.015 1020 T CB 1.043 69.915 68.868 0.008 0.000 1.044 1020 T HN 0.300 nan 8.240 nan 0.000 0.520 1021 E N -0.045 120.178 120.200 0.038 0.000 2.248 1021 E HA 0.514 4.849 4.350 -0.024 0.000 0.272 1021 E C 0.485 177.109 176.600 0.039 0.000 1.008 1021 E CA 0.261 56.692 56.400 0.051 0.000 0.856 1021 E CB 1.062 30.787 29.700 0.042 0.000 1.120 1021 E HN 1.254 nan 8.360 nan 0.000 0.397 1022 G N 2.838 111.666 108.800 0.047 0.000 2.733 1022 G HA2 -0.248 3.697 3.960 -0.024 0.000 0.686 1022 G HA3 -0.248 3.697 3.960 -0.024 0.000 0.686 1022 G C 0.418 175.245 174.900 -0.121 0.000 1.373 1022 G CA 0.192 45.273 45.100 -0.031 0.000 0.838 1022 G HN 0.678 nan 8.290 nan 0.000 0.588 1023 R N 1.052 121.384 120.500 -0.280 0.000 2.115 1023 R HA 0.125 4.450 4.340 -0.024 0.000 0.230 1023 R C 3.060 179.315 176.300 -0.075 0.000 1.111 1023 R CA 2.202 58.117 56.100 -0.308 0.000 0.976 1023 R CB -0.455 29.663 30.300 -0.305 0.000 0.870 1023 R HN 1.179 nan 8.270 nan 0.000 0.445 1024 A N 0.660 123.457 122.820 -0.038 0.000 2.024 1024 A HA -0.151 4.155 4.320 -0.024 0.000 0.220 1024 A C 1.831 179.407 177.584 -0.013 0.000 1.164 1024 A CA 1.406 53.450 52.037 0.012 0.000 0.643 1024 A CB -0.195 18.818 19.000 0.021 0.000 0.806 1024 A HN 0.346 nan 8.150 nan 0.000 0.451 1025 R N -0.921 119.558 120.500 -0.036 0.000 2.476 1025 R HA 0.168 4.494 4.340 -0.024 0.000 0.276 1025 R C 0.255 176.510 176.300 -0.074 0.000 0.941 1025 R CA 0.522 56.595 56.100 -0.045 0.000 1.088 1025 R CB 0.135 30.426 30.300 -0.015 0.000 1.216 1025 R HN 0.834 nan 8.270 nan 0.000 0.533 1026 E N -0.647 119.508 120.200 -0.076 0.000 3.900 1026 E HA -0.360 3.975 4.350 -0.024 0.000 0.233 1026 E C 0.675 177.288 176.600 0.023 0.000 1.517 1026 E CA 0.814 57.202 56.400 -0.021 0.000 2.421 1026 E CB -1.189 28.385 29.700 -0.209 0.000 2.116 1026 E HN 0.171 nan 8.360 nan 0.000 0.445 1027 G N -0.337 108.471 108.800 0.013 0.000 3.700 1027 G HA2 0.267 4.213 3.960 -0.024 0.000 0.211 1027 G HA3 0.267 4.213 3.960 -0.024 0.000 0.211 1027 G C 0.401 175.311 174.900 0.017 0.000 1.777 1027 G CA 0.711 45.816 45.100 0.010 0.000 1.460 1027 G HN 1.807 nan 8.290 nan 0.000 0.615 1028 G N -0.924 107.897 108.800 0.035 0.000 2.519 1028 G HA2 0.647 4.593 3.960 -0.024 0.000 0.292 1028 G HA3 0.647 4.593 3.960 -0.024 0.000 0.292 1028 G C -0.193 174.722 174.900 0.026 0.000 1.507 1028 G CA -0.090 45.018 45.100 0.012 0.000 0.806 1028 G HN 0.813 nan 8.290 nan 0.000 0.523 1029 L N -0.384 120.837 121.223 -0.005 0.000 2.491 1029 L HA 0.564 4.889 4.340 -0.024 0.000 0.164 1029 L C 1.135 178.045 176.870 0.066 0.000 0.979 1029 L CA -0.386 54.467 54.840 0.022 0.000 1.124 1029 L CB 0.309 42.368 42.059 -0.000 0.000 1.685 1029 L HN 0.517 nan 8.230 nan 0.000 0.467 1030 R N -0.431 120.116 120.500 0.078 0.000 2.574 1030 R HA 0.298 4.623 4.340 -0.024 0.000 0.288 1030 R C -1.891 174.483 176.300 0.124 0.000 1.004 1030 R CA -0.552 55.605 56.100 0.095 0.000 0.895 1030 R CB 1.415 31.750 30.300 0.058 0.000 1.191 1030 R HN 0.322 nan 8.270 nan 0.000 0.444 1031 F N 3.863 123.821 119.950 0.012 0.000 2.359 1031 F HA 0.478 4.990 4.527 -0.024 0.000 0.369 1031 F C 0.207 176.015 175.800 0.014 0.000 1.084 1031 F CA -0.237 57.770 58.000 0.012 0.000 1.096 1031 F CB 1.210 40.218 39.000 0.013 0.000 1.335 1031 F HN 0.661 nan 8.300 nan 0.000 0.457 1032 G N 3.496 112.192 108.800 -0.174 0.000 2.563 1032 G HA2 0.153 4.098 3.960 -0.024 0.000 0.283 1032 G HA3 0.153 4.098 3.960 -0.024 0.000 0.283 1032 G C 0.538 175.381 174.900 -0.095 0.000 1.309 1032 G CA -0.369 44.679 45.100 -0.086 0.000 1.022 1032 G HN 0.662 nan 8.290 nan 0.000 0.501 1033 E N -0.685 119.489 120.200 -0.043 0.000 2.077 1033 E HA -0.139 4.196 4.350 -0.024 0.000 0.193 1033 E C 2.499 179.057 176.600 -0.069 0.000 0.989 1033 E CA 1.140 57.526 56.400 -0.023 0.000 0.800 1033 E CB -0.134 29.560 29.700 -0.010 0.000 0.746 1033 E HN 0.419 nan 8.360 nan 0.000 0.452 1034 M N 0.304 119.838 119.600 -0.109 0.000 2.296 1034 M HA -0.153 4.312 4.480 -0.024 0.000 0.265 1034 M C 1.570 177.745 176.300 -0.209 0.000 1.064 1034 M CA 1.173 56.394 55.300 -0.131 0.000 1.109 1034 M CB 0.048 32.578 32.600 -0.117 0.000 1.396 1034 M HN 0.003 nan 8.290 nan 0.000 0.430 1035 E N 0.200 120.172 120.200 -0.380 0.000 2.122 1035 E HA -0.121 4.214 4.350 -0.024 0.000 0.190 1035 E C 1.811 178.115 176.600 -0.493 0.000 0.977 1035 E CA 0.933 56.891 56.400 -0.737 0.000 0.820 1035 E CB -0.101 28.697 29.700 -1.502 0.000 0.770 1035 E HN 0.504 nan 8.360 nan 0.000 0.462 1036 R N 0.525 120.948 120.500 -0.129 0.000 2.276 1036 R HA 0.051 4.377 4.340 -0.024 0.000 0.203 1036 R C 0.988 177.344 176.300 0.092 0.000 1.017 1036 R CA 1.070 57.348 56.100 0.296 0.000 1.010 1036 R CB -0.027 30.470 30.300 0.328 0.000 0.900 1036 R HN -0.030 nan 8.270 nan 0.000 0.469 1037 D N 0.720 121.109 120.400 -0.017 0.000 2.178 1037 D HA -0.083 4.542 4.640 -0.024 0.000 0.202 1037 D C 1.511 177.774 176.300 -0.062 0.000 0.974 1037 D CA 1.044 55.022 54.000 -0.037 0.000 0.841 1037 D CB -0.185 40.577 40.800 -0.063 0.000 0.953 1037 D HN 0.290 nan 8.370 nan 0.000 0.478 1038 C N 0.465 119.718 119.300 -0.080 0.000 2.446 1038 C HA -0.025 4.421 4.460 -0.024 0.000 0.277 1038 C C 2.791 177.745 174.990 -0.059 0.000 1.275 1038 C CA 0.205 59.145 59.018 -0.130 0.000 1.727 1038 C CB -0.937 26.742 27.740 -0.102 0.000 2.010 1038 C HN 0.368 nan 8.230 nan 0.000 0.486 1039 L N 0.182 121.477 121.223 0.120 0.000 2.291 1039 L HA -0.043 4.282 4.340 -0.024 0.000 0.214 1039 L C 2.243 179.187 176.870 0.124 0.000 1.120 1039 L CA 1.143 56.098 54.840 0.192 0.000 0.799 1039 L CB -0.556 41.648 42.059 0.240 0.000 0.925 1039 L HN 0.402 nan 8.230 nan 0.000 0.446 1040 I N 0.051 120.661 120.570 0.066 0.000 2.286 1040 I HA -0.147 4.008 4.170 -0.024 0.000 0.245 1040 I C 2.658 178.787 176.117 0.020 0.000 1.104 1040 I CA 1.211 62.538 61.300 0.045 0.000 1.397 1040 I CB -0.680 37.337 38.000 0.027 0.000 1.072 1040 I HN 0.232 nan 8.210 nan 0.000 0.417 1041 G N 0.989 109.759 108.800 -0.050 0.000 2.469 1041 G HA2 -0.270 3.676 3.960 -0.024 0.000 0.219 1041 G HA3 -0.270 3.676 3.960 -0.024 0.000 0.219 1041 G C 1.385 176.263 174.900 -0.037 0.000 1.150 1041 G CA 0.675 45.710 45.100 -0.108 0.000 0.763 1041 G HN 0.235 nan 8.290 nan 0.000 0.561 1042 F N 1.210 121.173 119.950 0.021 0.000 2.604 1042 F HA 0.234 4.747 4.527 -0.024 0.000 0.298 1042 F C 2.401 178.210 175.800 0.014 0.000 1.131 1042 F CA 0.221 58.231 58.000 0.017 0.000 1.457 1042 F CB -0.266 38.748 39.000 0.022 0.000 1.095 1042 F HN 0.331 nan 8.300 nan 0.000 0.574 1043 G N -0.495 108.416 108.800 0.185 0.000 2.220 1043 G HA2 -0.350 3.596 3.960 -0.024 0.000 0.269 1043 G HA3 -0.350 3.596 3.960 -0.024 0.000 0.269 1043 G C 0.865 175.826 174.900 0.101 0.000 0.977 1043 G CA 0.655 45.822 45.100 0.112 0.000 0.634 1043 G HN 0.423 nan 8.290 nan 0.000 0.539 1044 T N 0.914 115.553 114.554 0.142 0.000 2.761 1044 T HA 0.499 4.834 4.350 -0.024 0.000 0.262 1044 T C 1.665 176.402 174.700 0.061 0.000 0.968 1044 T CA 1.042 63.192 62.100 0.084 0.000 1.235 1044 T CB 0.103 69.026 68.868 0.091 0.000 0.925 1044 T HN 1.167 nan 8.240 nan 0.000 0.545 1045 A N 6.647 129.487 122.820 0.033 0.000 1.878 1045 A HA 0.122 4.427 4.320 -0.024 0.000 0.213 1045 A C 2.326 179.911 177.584 0.002 0.000 1.192 1045 A CA 0.365 52.414 52.037 0.020 0.000 0.619 1045 A CB -0.287 18.721 19.000 0.012 0.000 0.837 1045 A HN 0.705 nan 8.150 nan 0.000 0.446 1046 M N -0.653 118.943 119.600 -0.006 0.000 2.175 1046 M HA -0.042 4.424 4.480 -0.024 0.000 0.264 1046 M C 2.121 178.405 176.300 -0.027 0.000 1.063 1046 M CA 1.070 56.359 55.300 -0.018 0.000 1.119 1046 M CB -1.165 31.424 32.600 -0.019 0.000 1.377 1046 M HN 0.457 nan 8.290 nan 0.000 0.415 1047 L N 0.364 121.574 121.223 -0.022 0.000 2.042 1047 L HA -0.179 4.147 4.340 -0.024 0.000 0.210 1047 L C 2.266 179.096 176.870 -0.067 0.000 1.076 1047 L CA 1.523 56.341 54.840 -0.036 0.000 0.749 1047 L CB -0.796 41.256 42.059 -0.012 0.000 0.893 1047 L HN 0.238 nan 8.230 nan 0.000 0.432 1048 L N -0.425 120.774 121.223 -0.040 0.000 1.989 1048 L HA -0.300 4.026 4.340 -0.024 0.000 0.211 1048 L C 2.724 179.539 176.870 -0.092 0.000 1.071 1048 L CA 2.135 56.938 54.840 -0.063 0.000 0.749 1048 L CB -0.438 41.626 42.059 0.008 0.000 0.890 1048 L HN 0.355 nan 8.230 nan 0.000 0.431 1049 K N -0.183 120.183 120.400 -0.057 0.000 2.032 1049 K HA -0.274 4.032 4.320 -0.024 0.000 0.209 1049 K C 0.826 177.381 176.600 -0.074 0.000 1.048 1049 K CA 2.045 58.298 56.287 -0.057 0.000 0.927 1049 K CB -0.243 32.234 32.500 -0.039 0.000 0.712 1049 K HN 0.316 nan 8.250 nan 0.000 0.441 1050 D N -0.267 120.088 120.400 -0.075 0.000 2.948 1050 D HA -0.024 4.602 4.640 -0.024 0.000 0.241 1050 D C 0.819 177.045 176.300 -0.123 0.000 1.198 1050 D CA 0.132 54.086 54.000 -0.077 0.000 0.926 1050 D CB 0.274 41.039 40.800 -0.059 0.000 1.151 1050 D HN 0.097 nan 8.370 nan 0.000 0.441 1051 R N -0.583 119.818 120.500 -0.165 0.000 4.137 1051 R HA 0.256 4.582 4.340 -0.024 0.000 0.082 1051 R C 0.126 176.290 176.300 -0.227 0.000 0.716 1051 R CA 0.221 56.152 56.100 -0.283 0.000 1.733 1051 R CB -0.121 29.872 30.300 -0.512 0.000 1.564 1051 R HN 0.140 nan 8.270 nan 0.000 0.427 1052 L N 1.435 122.550 121.223 -0.180 0.000 2.791 1052 L HA 0.486 4.811 4.340 -0.024 0.000 0.239 1052 L C 0.838 177.691 176.870 -0.028 0.000 1.203 1052 L CA 0.322 55.117 54.840 -0.075 0.000 1.002 1052 L CB 0.916 42.958 42.059 -0.028 0.000 1.295 1052 L HN 0.370 nan 8.230 nan 0.000 0.504 1053 L N -2.852 118.349 121.223 -0.036 0.000 1.665 1053 L HA 0.216 4.542 4.340 -0.024 0.000 0.152 1053 L C 0.642 177.507 176.870 -0.009 0.000 1.320 1053 L CA 0.358 55.192 54.840 -0.010 0.000 1.147 1053 L CB 0.260 42.309 42.059 -0.017 0.000 2.398 1053 L HN -0.112 nan 8.230 nan 0.000 0.483 1054 D N 1.047 121.431 120.400 -0.025 0.000 2.378 1054 D HA 0.001 4.626 4.640 -0.024 0.000 0.227 1054 D C -0.036 176.252 176.300 -0.020 0.000 1.012 1054 D CA 0.820 54.808 54.000 -0.019 0.000 0.905 1054 D CB -0.155 40.629 40.800 -0.026 0.000 0.895 1054 D HN 0.458 nan 8.370 nan 0.000 0.532 1055 N N -1.078 117.605 118.700 -0.028 0.000 2.536 1055 N HA 0.173 4.898 4.740 -0.024 0.000 0.286 1055 N C -0.036 175.466 175.510 -0.013 0.000 1.577 1055 N CA -0.091 52.943 53.050 -0.026 0.000 0.883 1055 N CB 1.223 39.680 38.487 -0.050 0.000 1.390 1055 N HN -0.213 nan 8.380 nan 0.000 0.491 1056 S N -0.289 115.414 115.700 0.005 0.000 3.984 1056 S HA 0.087 4.543 4.470 -0.024 0.000 0.221 1056 S C -1.083 173.538 174.600 0.035 0.000 1.149 1056 S CA -0.196 58.019 58.200 0.024 0.000 0.950 1056 S CB 0.899 64.121 63.200 0.036 0.000 1.216 1056 S HN 0.435 nan 8.310 nan 0.000 0.547 1057 D N 1.199 121.631 120.400 0.053 0.000 2.752 1057 D HA 0.180 4.805 4.640 -0.024 0.000 0.242 1057 D C -0.995 175.363 176.300 0.097 0.000 1.295 1057 D CA -0.284 53.763 54.000 0.079 0.000 0.846 1057 D CB 0.147 41.029 40.800 0.136 0.000 1.454 1057 D HN 0.045 nan 8.370 nan 0.000 0.535 1058 R N 0.651 121.193 120.500 0.070 0.000 2.265 1058 R HA 0.600 4.926 4.340 -0.024 0.000 0.314 1058 R C -0.326 176.042 176.300 0.114 0.000 1.053 1058 R CA 0.187 56.333 56.100 0.076 0.000 0.931 1058 R CB 1.377 31.705 30.300 0.047 0.000 1.024 1058 R HN 0.268 nan 8.270 nan 0.000 0.457 1059 T N -0.056 114.590 114.554 0.152 0.000 2.883 1059 T HA 0.186 4.522 4.350 -0.024 0.000 0.301 1059 T C 0.665 175.466 174.700 0.168 0.000 1.158 1059 T CA -0.836 61.407 62.100 0.238 0.000 1.007 1059 T CB 1.921 71.006 68.868 0.361 0.000 1.186 1059 T HN 0.607 nan 8.240 nan 0.000 0.499 1060 T N -1.250 113.407 114.554 0.171 0.000 3.105 1060 T HA 0.280 4.616 4.350 -0.024 0.000 0.253 1060 T C 0.725 175.104 174.700 -0.535 0.000 1.047 1060 T CA -0.410 61.563 62.100 -0.211 0.000 0.944 1060 T CB -0.749 67.867 68.868 -0.421 0.000 1.016 1060 T HN 0.499 nan 8.240 nan 0.000 0.544 1061 I N 3.180 123.690 120.570 -0.100 0.000 3.022 1061 I HA -0.239 3.916 4.170 -0.024 0.000 0.227 1061 I C 0.023 175.923 176.117 -0.361 0.000 0.956 1061 I CA 0.778 62.029 61.300 -0.081 0.000 2.499 1061 I CB -0.616 37.541 38.000 0.262 0.000 0.805 1061 I HN 0.296 nan 8.210 nan 0.000 0.367 1062 Y N 4.858 124.985 120.300 -0.287 0.000 2.298 1062 Y HA 0.578 5.113 4.550 -0.024 0.000 0.329 1062 Y C 0.535 176.458 175.900 0.037 0.000 1.293 1062 Y CA -0.649 57.375 58.100 -0.127 0.000 1.388 1062 Y CB 0.600 38.975 38.460 -0.143 0.000 1.309 1062 Y HN 0.197 nan 8.280 nan 0.000 0.544 1063 V N 1.183 121.234 119.914 0.229 0.000 2.577 1063 V HA 0.189 4.295 4.120 -0.024 0.000 0.303 1063 V C -0.544 175.663 176.094 0.189 0.000 1.042 1063 V CA -1.333 61.083 62.300 0.193 0.000 0.872 1063 V CB 1.669 33.586 31.823 0.158 0.000 0.998 1063 V HN 0.991 nan 8.190 nan 0.000 0.423 1064 C N 3.533 122.899 119.300 0.109 0.000 2.662 1064 C HA 0.100 4.545 4.460 -0.024 0.000 0.420 1064 C C 1.879 176.912 174.990 0.072 0.000 1.314 1064 C CA 0.232 59.284 59.018 0.056 0.000 1.963 1064 C CB -0.012 27.706 27.740 -0.036 0.000 2.686 1064 C HN 1.063 nan 8.230 nan 0.000 0.609 1065 D N 1.186 121.655 120.400 0.115 0.000 2.162 1065 D HA -0.080 4.546 4.640 -0.024 0.000 0.203 1065 D C 1.882 178.199 176.300 0.029 0.000 0.967 1065 D CA 1.496 55.574 54.000 0.131 0.000 0.840 1065 D CB 0.182 41.130 40.800 0.246 0.000 0.972 1065 D HN 0.779 nan 8.370 nan 0.000 0.482 1066 Q N -0.410 119.389 119.800 -0.001 0.000 2.062 1066 Q HA -0.071 4.255 4.340 -0.024 0.000 0.196 1066 Q C 2.637 178.590 176.000 -0.079 0.000 0.967 1066 Q CA 1.621 57.406 55.803 -0.030 0.000 0.832 1066 Q CB 0.231 28.955 28.738 -0.025 0.000 0.899 1066 Q HN 0.488 nan 8.270 nan 0.000 0.442 1067 C N -3.403 115.810 119.300 -0.144 0.000 2.469 1067 C HA 0.681 5.127 4.460 -0.024 0.000 0.309 1067 C C 1.607 176.327 174.990 -0.451 0.000 1.385 1067 C CA 0.403 59.240 59.018 -0.302 0.000 1.890 1067 C CB 0.169 27.702 27.740 -0.345 0.000 2.245 1067 C HN 0.624 nan 8.230 nan 0.000 0.530 1068 G N 0.842 109.427 108.800 -0.357 0.000 1.929 1068 G HA2 -0.030 3.915 3.960 -0.024 0.000 0.219 1068 G HA3 -0.030 3.915 3.960 -0.024 0.000 0.219 1068 G C -0.222 174.599 174.900 -0.131 0.000 2.200 1068 G CA -0.032 44.932 45.100 -0.226 0.000 1.552 1068 G HN 1.105 nan 8.290 nan 0.000 0.498 1069 Y N 1.242 121.591 120.300 0.082 0.000 2.717 1069 Y HA 0.671 5.207 4.550 -0.024 0.000 0.330 1069 Y C 1.316 177.282 175.900 0.109 0.000 1.217 1069 Y CA 0.105 58.263 58.100 0.095 0.000 1.506 1069 Y CB 0.667 39.169 38.460 0.069 0.000 1.268 1069 Y HN 0.722 nan 8.280 nan 0.000 0.561 1070 I N 0.669 121.413 120.570 0.290 0.000 4.286 1070 I HA 0.033 4.189 4.170 -0.024 0.000 0.392 1070 I C 0.808 177.142 176.117 0.362 0.000 0.701 1070 I CA 0.549 62.033 61.300 0.306 0.000 1.361 1070 I CB -0.529 37.663 38.000 0.320 0.000 3.324 1070 I HN 0.928 nan 8.210 nan 0.000 0.963 1071 G N 0.617 109.674 108.800 0.427 0.000 2.491 1071 G HA2 0.163 4.109 3.960 -0.024 0.000 0.242 1071 G HA3 0.163 4.109 3.960 -0.024 0.000 0.242 1071 G C 0.062 175.380 174.900 0.696 0.000 1.266 1071 G CA 0.101 45.586 45.100 0.643 0.000 0.844 1071 G HN 0.310 nan 8.290 nan 0.000 0.571 1072 W N 0.632 122.137 121.300 0.341 0.000 2.257 1072 W HA 0.261 4.906 4.660 -0.024 0.000 0.308 1072 W C 0.333 177.017 176.519 0.275 0.000 1.066 1072 W CA 1.431 58.963 57.345 0.310 0.000 1.195 1072 W CB -0.773 28.782 29.460 0.158 0.000 1.215 1072 W HN 0.551 nan 8.180 nan 0.000 0.460 1073 Y N 1.016 121.506 120.300 0.316 0.000 2.724 1073 Y HA -0.192 4.344 4.550 -0.024 0.000 0.048 1073 Y C -0.238 175.605 175.900 -0.095 0.000 1.916 1073 Y CA 0.192 58.351 58.100 0.099 0.000 1.248 1073 Y CB -1.672 36.838 38.460 0.084 0.000 1.906 1073 Y HN 0.109 nan 8.280 nan 0.000 0.287 1074 D N 0.926 121.341 120.400 0.025 0.000 2.692 1074 D HA 0.446 5.071 4.640 -0.024 0.000 0.303 1074 D C 0.465 176.737 176.300 -0.047 0.000 1.278 1074 D CA -0.257 53.660 54.000 -0.138 0.000 0.852 1074 D CB 1.706 42.391 40.800 -0.192 0.000 1.375 1074 D HN 0.466 nan 8.370 nan 0.000 0.453 1075 K N -0.411 119.950 120.400 -0.065 0.000 2.494 1075 K HA 0.227 4.532 4.320 -0.024 0.000 0.201 1075 K C 0.103 176.644 176.600 -0.099 0.000 1.338 1075 K CA -0.187 56.024 56.287 -0.127 0.000 0.935 1075 K CB 0.353 32.814 32.500 -0.065 0.000 1.514 1075 K HN 0.023 nan 8.250 nan 0.000 0.490 1076 N N 2.236 120.906 118.700 -0.050 0.000 2.455 1076 N HA 0.136 4.861 4.740 -0.024 0.000 0.280 1076 N C -1.375 174.118 175.510 -0.029 0.000 1.055 1076 N CA -0.434 52.596 53.050 -0.034 0.000 0.961 1076 N CB 1.324 39.800 38.487 -0.018 0.000 1.121 1076 N HN 0.200 nan 8.380 nan 0.000 0.476 1077 K N 1.245 121.627 120.400 -0.029 0.000 4.854 1077 K HA -0.261 4.045 4.320 -0.024 0.000 0.338 1077 K C -0.681 175.903 176.600 -0.027 0.000 1.013 1077 K CA 0.122 56.394 56.287 -0.025 0.000 1.072 1077 K CB -0.699 31.791 32.500 -0.016 0.000 1.642 1077 K HN 0.725 nan 8.250 nan 0.000 0.426 1078 N N 1.066 119.743 118.700 -0.038 0.000 2.804 1078 N HA 0.177 4.902 4.740 -0.024 0.000 0.233 1078 N C 0.357 175.828 175.510 -0.065 0.000 1.020 1078 N CA 1.460 54.485 53.050 -0.042 0.000 1.164 1078 N CB 0.400 38.865 38.487 -0.038 0.000 1.571 1078 N HN 0.577 nan 8.380 nan 0.000 0.551 1079 K N -2.140 118.210 120.400 -0.083 0.000 1.699 1079 K HA 0.308 4.614 4.320 -0.024 0.000 0.281 1079 K C -1.153 175.307 176.600 -0.233 0.000 0.790 1079 K CA -0.618 55.577 56.287 -0.152 0.000 0.451 1079 K CB 0.183 32.663 32.500 -0.032 0.000 2.718 1079 K HN -0.070 nan 8.250 nan 0.000 0.951 1080 Y N 0.253 120.483 120.300 -0.116 0.000 2.359 1080 Y HA 0.563 5.099 4.550 -0.024 0.000 0.330 1080 Y C -0.099 175.740 175.900 -0.101 0.000 1.143 1080 Y CA -0.061 57.947 58.100 -0.153 0.000 1.318 1080 Y CB 1.446 39.757 38.460 -0.247 0.000 1.234 1080 Y HN 0.260 nan 8.280 nan 0.000 0.522 1081 V N 3.024 122.978 119.914 0.067 0.000 3.204 1081 V HA 0.560 4.665 4.120 -0.024 0.000 0.298 1081 V C -0.957 175.071 176.094 -0.111 0.000 1.328 1081 V CA -0.991 61.294 62.300 -0.025 0.000 1.035 1081 V CB 1.894 33.669 31.823 -0.080 0.000 1.095 1081 V HN 1.055 nan 8.190 nan 0.000 0.442 1082 C N 2.919 122.156 119.300 -0.106 0.000 2.531 1082 C HA 0.722 5.168 4.460 -0.024 0.000 0.369 1082 C C -1.637 173.204 174.990 -0.248 0.000 1.258 1082 C CA -1.706 57.250 59.018 -0.103 0.000 1.876 1082 C CB 1.518 29.265 27.740 0.012 0.000 2.256 1082 C HN 0.673 nan 8.230 nan 0.000 0.510 1083 P HA -0.041 nan 4.420 nan 0.000 0.226 1083 P C 1.175 178.267 177.300 -0.347 0.000 1.146 1083 P CA 1.161 64.109 63.100 -0.253 0.000 0.773 1083 P CB -0.090 31.616 31.700 0.011 0.000 0.772 1084 I N -3.198 117.252 120.570 -0.199 0.000 3.603 1084 I HA 0.088 4.244 4.170 -0.024 0.000 0.297 1084 I C 0.633 176.707 176.117 -0.072 0.000 1.269 1084 I CA 0.293 61.512 61.300 -0.134 0.000 1.361 1084 I CB -1.693 36.277 38.000 -0.051 0.000 1.063 1084 I HN 0.179 nan 8.210 nan 0.000 0.448 1085 H N 0.320 119.342 119.070 -0.081 0.000 4.576 1085 H HA 0.035 4.577 4.556 -0.024 0.000 0.248 1085 H C 0.995 176.283 175.328 -0.067 0.000 0.567 1085 H CA 0.392 56.382 56.048 -0.096 0.000 0.781 1085 H CB -1.020 28.695 29.762 -0.078 0.000 0.961 1085 H HN 0.483 nan 8.280 nan 0.000 0.393 1086 G N -0.265 108.580 108.800 0.075 0.000 2.757 1086 G HA2 -0.178 3.768 3.960 -0.024 0.000 0.638 1086 G HA3 -0.178 3.768 3.960 -0.024 0.000 0.638 1086 G C -0.095 174.802 174.900 -0.007 0.000 1.344 1086 G CA 0.268 45.376 45.100 0.014 0.000 0.855 1086 G HN 0.672 nan 8.290 nan 0.000 0.537 1087 D N 0.382 120.773 120.400 -0.015 0.000 2.348 1087 D HA 0.067 4.692 4.640 -0.024 0.000 0.211 1087 D C 1.389 177.673 176.300 -0.028 0.000 0.998 1087 D CA 0.545 54.531 54.000 -0.023 0.000 0.873 1087 D CB 0.134 40.920 40.800 -0.022 0.000 0.925 1087 D HN 0.472 nan 8.370 nan 0.000 0.524 1088 K N 1.293 121.684 120.400 -0.016 0.000 2.469 1088 K HA 0.022 4.328 4.320 -0.024 0.000 0.274 1088 K C 0.625 177.213 176.600 -0.019 0.000 0.983 1088 K CA 0.370 56.649 56.287 -0.013 0.000 0.974 1088 K CB 0.443 32.941 32.500 -0.004 0.000 0.913 1088 K HN 0.054 nan 8.250 nan 0.000 0.493 1089 S N 1.566 117.260 115.700 -0.009 0.000 3.447 1089 S HA -0.169 4.287 4.470 -0.024 0.000 0.371 1089 S C -0.072 174.503 174.600 -0.041 0.000 0.951 1089 S CA 0.194 58.400 58.200 0.009 0.000 1.269 1089 S CB -1.762 61.449 63.200 0.018 0.000 0.919 1089 S HN 0.713 nan 8.310 nan 0.000 0.516 1090 N N 1.508 120.135 118.700 -0.122 0.000 2.293 1090 N HA 0.117 4.843 4.740 -0.024 0.000 0.253 1090 N C 1.074 176.241 175.510 -0.571 0.000 1.248 1090 N CA 0.658 53.525 53.050 -0.305 0.000 0.845 1090 N CB 0.168 38.444 38.487 -0.352 0.000 1.073 1090 N HN 0.602 nan 8.380 nan 0.000 0.464 1091 L N 1.369 122.288 121.223 -0.507 0.000 2.506 1091 L HA 0.401 4.726 4.340 -0.024 0.000 0.199 1091 L C -0.114 176.257 176.870 -0.831 0.000 1.178 1091 L CA -0.000 54.616 54.840 -0.373 0.000 0.868 1091 L CB 0.086 42.080 42.059 -0.109 0.000 1.451 1091 L HN 0.386 nan 8.230 nan 0.000 0.526 1092 F N -1.540 118.407 119.950 -0.004 0.000 2.622 1092 F HA 0.330 4.842 4.527 -0.024 0.000 0.318 1092 F C -2.526 173.283 175.800 0.015 0.000 1.135 1092 F CA -1.721 56.265 58.000 -0.023 0.000 1.015 1092 F CB 1.186 40.156 39.000 -0.050 0.000 1.275 1092 F HN 0.077 nan 8.300 nan 0.000 0.457 1093 P HA 0.303 nan 4.420 nan 0.000 0.276 1093 P C -1.059 176.159 177.300 -0.136 0.000 1.235 1093 P CA -0.213 62.727 63.100 -0.266 0.000 0.772 1093 P CB 1.097 32.657 31.700 -0.233 0.000 0.871 1094 V N 3.686 123.485 119.914 -0.191 0.000 2.483 1094 V HA 0.231 4.337 4.120 -0.024 0.000 0.297 1094 V C 0.092 176.125 176.094 -0.102 0.000 1.027 1094 V CA -0.466 61.774 62.300 -0.101 0.000 0.855 1094 V CB 1.883 33.672 31.823 -0.057 0.000 0.995 1094 V HN 0.422 nan 8.190 nan 0.000 0.424 1095 T N 4.865 119.374 114.554 -0.076 0.000 2.738 1095 T HA 0.478 4.814 4.350 -0.024 0.000 0.293 1095 T C -0.167 174.511 174.700 -0.036 0.000 0.913 1095 T CA 0.095 62.167 62.100 -0.046 0.000 1.103 1095 T CB 0.457 69.305 68.868 -0.034 0.000 0.880 1095 T HN 0.389 nan 8.240 nan 0.000 0.526 1096 V N 2.924 122.838 119.914 0.001 0.000 3.049 1096 V HA 0.481 4.587 4.120 -0.024 0.000 0.309 1096 V C 0.075 176.219 176.094 0.084 0.000 1.148 1096 V CA -1.251 61.050 62.300 0.003 0.000 0.990 1096 V CB 2.651 34.465 31.823 -0.015 0.000 1.039 1096 V HN 0.962 nan 8.190 nan 0.000 0.430 1097 S N 2.120 117.872 115.700 0.087 0.000 2.549 1097 S HA 0.129 4.585 4.470 -0.024 0.000 0.283 1097 S C 0.673 175.409 174.600 0.226 0.000 1.320 1097 S CA 0.037 58.327 58.200 0.149 0.000 1.058 1097 S CB 0.240 63.514 63.200 0.124 0.000 0.882 1097 S HN 0.781 nan 8.310 nan 0.000 0.498 1098 Y N 3.198 123.568 120.300 0.116 0.000 2.315 1098 Y HA -0.093 4.443 4.550 -0.024 0.000 0.288 1098 Y C 2.339 178.305 175.900 0.110 0.000 1.154 1098 Y CA 1.533 59.702 58.100 0.115 0.000 1.229 1098 Y CB -0.762 37.743 38.460 0.074 0.000 0.980 1098 Y HN 0.907 nan 8.280 nan 0.000 0.540 1099 A N -0.736 122.193 122.820 0.180 0.000 2.019 1099 A HA -0.201 4.105 4.320 -0.024 0.000 0.219 1099 A C 2.063 179.688 177.584 0.069 0.000 1.164 1099 A CA 1.442 53.543 52.037 0.107 0.000 0.644 1099 A CB -1.284 17.796 19.000 0.134 0.000 0.805 1099 A HN 0.617 nan 8.150 nan 0.000 0.449 1100 F N 0.406 120.344 119.950 -0.020 0.000 2.293 1100 F HA 0.003 4.515 4.527 -0.024 0.000 0.297 1100 F C 2.106 177.863 175.800 -0.073 0.000 1.089 1100 F CA 1.736 59.720 58.000 -0.026 0.000 1.377 1100 F CB -0.051 38.949 39.000 0.000 0.000 1.051 1100 F HN 0.182 nan 8.300 nan 0.000 0.511 1101 K N 0.578 120.955 120.400 -0.038 0.000 2.063 1101 K HA -0.185 4.121 4.320 -0.024 0.000 0.208 1101 K C 2.075 178.488 176.600 -0.311 0.000 1.048 1101 K CA 1.829 57.995 56.287 -0.202 0.000 0.928 1101 K CB -0.362 31.915 32.500 -0.372 0.000 0.713 1101 K HN 0.375 nan 8.250 nan 0.000 0.442 1102 L N 0.800 121.815 121.223 -0.347 0.000 1.989 1102 L HA -0.231 4.095 4.340 -0.024 0.000 0.211 1102 L C 2.531 179.276 176.870 -0.208 0.000 1.071 1102 L CA 0.742 55.440 54.840 -0.236 0.000 0.749 1102 L CB -0.653 41.319 42.059 -0.145 0.000 0.890 1102 L HN 0.284 nan 8.230 nan 0.000 0.431 1103 L N 0.302 121.382 121.223 -0.239 0.000 2.010 1103 L HA -0.303 4.023 4.340 -0.024 0.000 0.219 1103 L C 2.340 179.025 176.870 -0.307 0.000 1.077 1103 L CA 1.972 56.648 54.840 -0.272 0.000 0.773 1103 L CB -0.603 41.237 42.059 -0.364 0.000 0.892 1103 L HN 0.132 nan 8.230 nan 0.000 0.436 1104 I N -1.100 119.220 120.570 -0.416 0.000 2.179 1104 I HA -0.318 3.837 4.170 -0.024 0.000 0.242 1104 I C 2.461 178.474 176.117 -0.172 0.000 1.088 1104 I CA 1.498 62.619 61.300 -0.299 0.000 1.357 1104 I CB -0.197 37.639 38.000 -0.273 0.000 1.051 1104 I HN 0.469 nan 8.210 nan 0.000 0.409 1105 Q N -0.080 119.628 119.800 -0.152 0.000 2.378 1105 Q HA -0.142 4.183 4.340 -0.024 0.000 0.205 1105 Q C 1.760 177.699 176.000 -0.101 0.000 0.954 1105 Q CA 0.763 56.502 55.803 -0.108 0.000 0.901 1105 Q CB 0.162 28.848 28.738 -0.086 0.000 0.981 1105 Q HN 0.548 nan 8.270 nan 0.000 0.483 1106 E N 0.292 120.425 120.200 -0.112 0.000 2.230 1106 E HA -0.061 4.275 4.350 -0.024 0.000 0.192 1106 E C 1.819 178.366 176.600 -0.088 0.000 0.987 1106 E CA 0.381 56.727 56.400 -0.089 0.000 0.841 1106 E CB 0.225 29.873 29.700 -0.086 0.000 0.783 1106 E HN 0.286 nan 8.360 nan 0.000 0.481 1107 L N 0.169 121.327 121.223 -0.108 0.000 2.072 1107 L HA -0.094 4.231 4.340 -0.024 0.000 0.205 1107 L C 2.495 179.307 176.870 -0.096 0.000 1.079 1107 L CA 0.818 55.601 54.840 -0.095 0.000 0.752 1107 L CB -0.230 41.768 42.059 -0.103 0.000 0.906 1107 L HN 0.183 nan 8.230 nan 0.000 0.436 1108 M N -0.283 119.246 119.600 -0.119 0.000 2.159 1108 M HA -0.173 4.292 4.480 -0.024 0.000 0.263 1108 M C 2.535 178.768 176.300 -0.111 0.000 1.063 1108 M CA 2.066 57.279 55.300 -0.146 0.000 1.110 1108 M CB -0.365 32.123 32.600 -0.188 0.000 1.374 1108 M HN 0.382 nan 8.290 nan 0.000 0.411 1109 S N -0.406 115.243 115.700 -0.086 0.000 2.453 1109 S HA -0.075 4.380 4.470 -0.024 0.000 0.231 1109 S C 1.646 176.214 174.600 -0.054 0.000 1.005 1109 S CA 0.662 58.824 58.200 -0.063 0.000 0.949 1109 S CB -0.371 62.799 63.200 -0.051 0.000 0.774 1109 S HN 0.525 nan 8.310 nan 0.000 0.510 1110 M N 0.813 120.379 119.600 -0.057 0.000 2.453 1110 M HA 0.350 4.816 4.480 -0.024 0.000 0.239 1110 M C -0.839 175.434 176.300 -0.045 0.000 1.151 1110 M CA -0.125 55.148 55.300 -0.046 0.000 0.989 1110 M CB -0.383 32.191 32.600 -0.044 0.000 1.548 1110 M HN 0.212 nan 8.290 nan 0.000 0.479 1111 I N 0.840 121.377 120.570 -0.055 0.000 6.793 1111 I HA -0.277 3.878 4.170 -0.024 0.000 0.126 1111 I C -1.091 174.999 176.117 -0.046 0.000 1.828 1111 I CA 0.842 62.111 61.300 -0.052 0.000 2.046 1111 I CB -1.777 36.202 38.000 -0.036 0.000 3.541 1111 I HN 0.244 nan 8.210 nan 0.000 0.172 1112 I N 2.265 122.801 120.570 -0.057 0.000 2.542 1112 I HA 0.217 4.372 4.170 -0.024 0.000 0.278 1112 I C 0.564 176.654 176.117 -0.044 0.000 1.069 1112 I CA -0.604 60.672 61.300 -0.041 0.000 1.100 1112 I CB 1.540 39.517 38.000 -0.038 0.000 1.204 1112 I HN 0.385 nan 8.210 nan 0.000 0.470 1113 S N 6.353 122.041 115.700 -0.020 0.000 2.611 1113 S HA 0.211 4.666 4.470 -0.024 0.000 0.317 1113 S C -2.217 172.426 174.600 0.071 0.000 1.208 1113 S CA -0.771 57.439 58.200 0.017 0.000 1.217 1113 S CB -0.452 62.797 63.200 0.080 0.000 1.085 1113 S HN 0.364 nan 8.310 nan 0.000 0.529 1114 P HA 0.330 nan 4.420 nan 0.000 0.238 1114 P C -0.669 176.772 177.300 0.236 0.000 1.758 1114 P CA -0.615 62.554 63.100 0.116 0.000 1.142 1114 P CB 0.320 32.043 31.700 0.039 0.000 1.722 1115 R N 2.945 123.564 120.500 0.198 0.000 2.267 1115 R HA 0.323 4.648 4.340 -0.024 0.000 0.319 1115 R C -0.217 176.149 176.300 0.111 0.000 1.067 1115 R CA -0.713 55.476 56.100 0.148 0.000 0.936 1115 R CB 0.200 30.548 30.300 0.079 0.000 1.006 1115 R HN 0.352 nan 8.270 nan 0.000 0.452 1116 L N 4.566 125.850 121.223 0.102 0.000 2.255 1116 L HA 0.277 4.602 4.340 -0.024 0.000 0.289 1116 L C 0.322 177.212 176.870 0.034 0.000 1.046 1116 L CA -0.219 54.678 54.840 0.096 0.000 0.816 1116 L CB 0.653 42.794 42.059 0.137 0.000 1.197 1116 L HN 0.319 nan 8.230 nan 0.000 0.427 1117 I N 4.471 125.050 120.570 0.014 0.000 2.496 1117 I HA 0.135 4.290 4.170 -0.024 0.000 0.285 1117 I C 0.438 176.521 176.117 -0.056 0.000 1.080 1117 I CA -0.433 60.855 61.300 -0.021 0.000 1.404 1117 I CB 0.861 38.848 38.000 -0.021 0.000 1.403 1117 I HN 0.514 nan 8.210 nan 0.000 0.539 1118 L N 4.621 125.791 121.223 -0.089 0.000 2.461 1118 L HA 0.498 4.824 4.340 -0.024 0.000 0.272 1118 L C -0.025 176.747 176.870 -0.163 0.000 1.197 1118 L CA 0.030 54.767 54.840 -0.171 0.000 0.836 1118 L CB 0.641 42.547 42.059 -0.255 0.000 1.105 1118 L HN 0.681 nan 8.230 nan 0.000 0.477 1119 E N 1.009 121.092 120.200 -0.195 0.000 2.352 1119 E HA 0.166 4.501 4.350 -0.024 0.000 0.280 1119 E C -1.531 174.969 176.600 -0.167 0.000 0.930 1119 E CA -0.837 55.473 56.400 -0.150 0.000 0.765 1119 E CB 1.845 31.482 29.700 -0.105 0.000 1.219 1119 E HN 0.878 nan 8.360 nan 0.000 0.434 1120 D N 1.420 121.740 120.400 -0.133 0.000 2.429 1120 D HA -0.082 4.543 4.640 -0.024 0.000 0.233 1120 D C 1.214 177.455 176.300 -0.099 0.000 1.202 1120 D CA 0.532 54.462 54.000 -0.117 0.000 0.879 1120 D CB 0.810 41.562 40.800 -0.080 0.000 1.212 1120 D HN 0.418 nan 8.370 nan 0.000 0.465 1121 R N 1.479 121.930 120.500 -0.082 0.000 2.139 1121 R HA -0.091 4.234 4.340 -0.024 0.000 0.243 1121 R C 0.398 176.669 176.300 -0.047 0.000 1.145 1121 R CA 0.717 56.782 56.100 -0.058 0.000 0.976 1121 R CB -0.153 30.126 30.300 -0.036 0.000 0.866 1121 R HN 0.328 nan 8.270 nan 0.000 0.449 1122 V N 0.000 119.887 119.914 -0.044 0.000 2.409 1122 V HA 0.000 4.105 4.120 -0.024 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