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 1gte_1_D DATA FIRST_RESID 2 DATA SEQUENCE APVLSKDVAD IESILALNPR TQSHAALHST LAKKLDKKHW KRNPDKNCFH DATA SEQUENCE CEKLENNFDD IKHTTLGERG ALREAMRCLK CADAPCQKSC PTHLDIKSFI DATA SEQUENCE TSISNKNYYG AAKMIFSDNP LGLTCGMVCP TSDLCVGGCN LYATEEGSIN DATA SEQUENCE IGGLQQFASE VFKAMNIPQI RNPCLPSQEK MPEAYSAKIA LLGAGPASIS DATA SEQUENCE CASFLARLGY SDITIFEKQE YVGGLSTSEI PQFRLPYDVV NFEIELMKDL DATA SEQUENCE GVKIICGKSL SENEITLNTL KEEGYKAAFI GIGLPEPKTD DIFQGLTQDQ DATA SEQUENCE GFYTSKDFLP LVAKSSKAGM CACHSPLPSI RGAVIVLGAG DTAFDCATSA DATA SEQUENCE LRCGARRVFL VFRKGFVNIR AVPEEVELAK EEKCEFLPFL SPRKVIVKGG DATA SEQUENCE RIVAVQFVRT EQDETGKWNE DEDQIVHLKA DVVISAFGSV LRDPKVKEAL DATA SEQUENCE SPIKFNRWDL PEVDPETMQT SEPWVFAGGD IVGMANTTVE SVNDGKQASW DATA SEQUENCE YIHKYIQAQY GASVSAKPEL PLFYTPVDLV DISVEMAGLK FINPFGLASA DATA SEQUENCE APTTSSSMIR RAFEAGWGFA LTKTFSLDKD IVTNVSPRIV RGTTSGPMYG DATA SEQUENCE PGQSSFLNIE LISEKTAAYW CQSVTELKAD FPDNIVIASI MCSYNKNDWM DATA SEQUENCE ELSRKAEASG ADALELNLSC PHGMGERGMG LACGQDPELV RNICRWVRQA DATA SEQUENCE VQIPFFAKLT PNVTDIVSIA RAAKEGGADG VTATNTVSGL MGLKADGTPW DATA SEQUENCE PAVGAGKRTT YGGVSGTAIR PIALRAVTTI ARALPGFPIL ATGGIDSAES DATA SEQUENCE GLQFLHSGAS VLQVCSAVQN QDFTVIQDYC TGLKALLYLK SIEELQGWDG DATA SEQUENCE QSPGTESHQK GKPVPRIAEL MGKKLPNFGP YLEQRKKIIA EEKMRLKEQN DATA SEQUENCE AXXXXLERKP FIPKKPIPAI KDVIGKALQY LGTFGELSNI EQVVAVIDEE DATA SEQUENCE MCINCGKCYM TCNDSGYQAI QFDPETHLPT VTDTCTGCTL CLSVCPIIDC DATA SEQUENCE IRMVSRTTPY EPKRGLPL 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.585 177.584 0.001 0.000 1.274 2 A CA 0.000 52.037 52.037 0.000 0.000 0.836 2 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 3 P HA 0.665 nan 4.420 nan 0.000 0.284 3 P C -1.149 176.152 177.300 0.001 0.000 1.287 3 P CA -0.656 62.445 63.100 0.002 0.000 0.824 3 P CB 0.973 32.675 31.700 0.003 0.000 1.180 4 V N 2.071 121.986 119.914 0.001 0.000 2.370 4 V HA 0.026 4.147 4.120 0.002 0.000 0.257 4 V C 1.621 177.715 176.094 -0.000 0.000 1.064 4 V CA 0.104 62.404 62.300 0.000 0.000 0.975 4 V CB -0.274 31.549 31.823 0.000 0.000 1.067 4 V HN 0.528 nan 8.190 nan 0.000 0.485 5 L N 3.652 124.874 121.223 -0.001 0.000 2.083 5 L HA -0.113 4.228 4.340 0.002 0.000 0.209 5 L C 2.285 179.152 176.870 -0.005 0.000 1.083 5 L CA 1.720 56.559 54.840 -0.002 0.000 0.752 5 L CB -0.296 41.762 42.059 -0.002 0.000 0.899 5 L HN 0.840 nan 8.230 nan 0.000 0.433 6 S N -1.422 114.274 115.700 -0.007 0.000 2.754 6 S HA 0.118 4.589 4.470 0.002 0.000 0.223 6 S C 0.410 175.004 174.600 -0.011 0.000 0.951 6 S CA -0.203 57.990 58.200 -0.011 0.000 0.954 6 S CB -0.268 62.925 63.200 -0.012 0.000 0.780 6 S HN 0.253 nan 8.310 nan 0.000 0.509 7 K N 1.259 121.655 120.400 -0.006 0.000 2.316 7 K HA 0.361 4.682 4.320 0.002 0.000 0.251 7 K C -1.369 175.230 176.600 -0.001 0.000 0.934 7 K CA -0.787 55.497 56.287 -0.004 0.000 0.802 7 K CB 1.182 33.681 32.500 -0.001 0.000 1.171 7 K HN 0.151 nan 8.250 nan 0.000 0.426 8 D N 2.427 122.827 120.400 -0.001 0.000 2.351 8 D HA 0.060 4.701 4.640 0.002 0.000 0.251 8 D C 0.442 176.748 176.300 0.011 0.000 1.137 8 D CA -0.124 53.879 54.000 0.004 0.000 0.879 8 D CB 1.268 42.070 40.800 0.004 0.000 1.181 8 D HN 0.249 nan 8.370 nan 0.000 0.448 9 V N -0.026 119.897 119.914 0.015 0.000 3.264 9 V HA 0.338 4.459 4.120 0.002 0.000 0.304 9 V C 1.598 177.705 176.094 0.022 0.000 1.086 9 V CA -0.090 62.221 62.300 0.017 0.000 1.090 9 V CB 0.658 32.492 31.823 0.018 0.000 1.112 9 V HN 0.616 nan 8.190 nan 0.000 0.472 10 A N 0.450 123.283 122.820 0.022 0.000 1.915 10 A HA -0.246 4.075 4.320 0.002 0.000 0.220 10 A C 1.761 179.365 177.584 0.033 0.000 1.198 10 A CA 2.427 54.480 52.037 0.026 0.000 0.647 10 A CB -1.070 17.944 19.000 0.023 0.000 0.825 10 A HN 1.031 nan 8.150 nan 0.000 0.456 11 D N -0.230 120.190 120.400 0.034 0.000 2.123 11 D HA -0.134 4.507 4.640 0.002 0.000 0.196 11 D C 1.895 178.226 176.300 0.051 0.000 0.992 11 D CA 1.259 55.284 54.000 0.042 0.000 0.833 11 D CB -0.258 40.566 40.800 0.040 0.000 0.954 11 D HN 0.394 nan 8.370 nan 0.000 0.455 12 I N 0.957 121.554 120.570 0.045 0.000 2.353 12 I HA -0.137 4.034 4.170 0.002 0.000 0.248 12 I C 2.384 178.530 176.117 0.048 0.000 1.119 12 I CA 0.695 62.023 61.300 0.047 0.000 1.417 12 I CB -1.012 37.008 38.000 0.032 0.000 1.078 12 I HN 0.083 nan 8.210 nan 0.000 0.421 13 E N 1.045 121.269 120.200 0.040 0.000 2.110 13 E HA -0.181 4.170 4.350 0.002 0.000 0.193 13 E C 2.230 178.867 176.600 0.061 0.000 0.988 13 E CA 1.541 57.966 56.400 0.041 0.000 0.804 13 E CB 0.247 29.966 29.700 0.033 0.000 0.745 13 E HN 0.336 nan 8.360 nan 0.000 0.458 14 S N 0.570 116.309 115.700 0.065 0.000 2.355 14 S HA -0.106 4.365 4.470 0.002 0.000 0.222 14 S C 1.941 176.609 174.600 0.112 0.000 1.031 14 S CA 0.869 59.116 58.200 0.078 0.000 0.993 14 S CB -0.188 63.051 63.200 0.065 0.000 0.859 14 S HN 0.353 nan 8.310 nan 0.000 0.453 15 I N 1.138 121.781 120.570 0.122 0.000 2.493 15 I HA -0.060 4.110 4.170 0.002 0.000 0.254 15 I C 1.072 177.350 176.117 0.269 0.000 1.160 15 I CA 1.044 62.455 61.300 0.185 0.000 1.445 15 I CB 0.065 38.163 38.000 0.163 0.000 1.086 15 I HN 0.228 nan 8.210 nan 0.000 0.433 16 L N 0.221 121.543 121.223 0.165 0.000 2.612 16 L HA 0.120 4.461 4.340 0.002 0.000 0.230 16 L C 2.448 179.424 176.870 0.178 0.000 1.140 16 L CA 0.260 55.175 54.840 0.125 0.000 0.896 16 L CB -0.469 41.602 42.059 0.020 0.000 1.065 16 L HN 0.196 nan 8.230 nan 0.000 0.447 17 A N 0.483 123.422 122.820 0.199 0.000 1.927 17 A HA -0.211 4.110 4.320 0.002 0.000 0.220 17 A C 1.830 179.532 177.584 0.197 0.000 1.185 17 A CA 1.795 53.931 52.037 0.166 0.000 0.639 17 A CB -0.352 18.733 19.000 0.141 0.000 0.820 17 A HN 0.362 nan 8.150 nan 0.000 0.451 18 L N -0.296 121.115 121.223 0.313 0.000 2.628 18 L HA 0.226 4.567 4.340 0.002 0.000 0.229 18 L C 0.534 177.628 176.870 0.374 0.000 1.137 18 L CA -0.134 54.898 54.840 0.321 0.000 0.909 18 L CB -0.920 41.335 42.059 0.326 0.000 1.137 18 L HN 0.324 nan 8.230 nan 0.000 0.470 19 N N 1.549 120.413 118.700 0.275 0.000 2.492 19 N HA 0.094 4.835 4.740 0.002 0.000 0.262 19 N C -2.311 173.216 175.510 0.028 0.000 1.202 19 N CA -1.258 51.816 53.050 0.040 0.000 0.926 19 N CB 0.599 39.006 38.487 -0.133 0.000 1.078 19 N HN -0.046 nan 8.380 nan 0.000 0.454 20 P HA 0.112 nan 4.420 nan 0.000 0.268 20 P C -1.087 176.202 177.300 -0.017 0.000 1.204 20 P CA 0.357 63.450 63.100 -0.011 0.000 0.768 20 P CB 0.576 32.255 31.700 -0.035 0.000 0.842 21 R N 1.120 121.619 120.500 -0.002 0.000 2.522 21 R HA 0.318 4.659 4.340 0.002 0.000 0.283 21 R C -0.381 175.922 176.300 0.004 0.000 1.074 21 R CA -0.609 55.490 56.100 -0.001 0.000 0.925 21 R CB 1.664 31.970 30.300 0.009 0.000 1.205 21 R HN 0.341 nan 8.270 nan 0.000 0.436 22 T N 3.645 118.198 114.554 -0.002 0.000 2.928 22 T HA 0.026 4.377 4.350 0.002 0.000 0.305 22 T C 0.196 174.903 174.700 0.012 0.000 1.035 22 T CA -0.057 62.043 62.100 -0.000 0.000 1.145 22 T CB 0.542 69.404 68.868 -0.010 0.000 0.963 22 T HN 0.177 nan 8.240 nan 0.000 0.545 23 Q N 1.728 121.540 119.800 0.020 0.000 2.259 23 Q HA 0.254 4.595 4.340 0.002 0.000 0.246 23 Q C 1.144 177.158 176.000 0.023 0.000 0.920 23 Q CA -0.233 55.595 55.803 0.042 0.000 0.895 23 Q CB 1.373 30.145 28.738 0.058 0.000 1.220 23 Q HN 0.833 nan 8.270 nan 0.000 0.439 24 S N 0.531 116.260 115.700 0.048 0.000 2.575 24 S HA 0.104 4.575 4.470 0.002 0.000 0.215 24 S C 0.002 174.419 174.600 -0.304 0.000 0.966 24 S CA 0.148 58.301 58.200 -0.079 0.000 0.911 24 S CB 0.078 63.254 63.200 -0.039 0.000 0.780 24 S HN 0.613 nan 8.310 nan 0.000 0.514 25 H N 0.084 119.153 119.070 -0.001 0.000 2.985 25 H HA 0.738 5.295 4.556 0.002 0.000 0.360 25 H C -0.242 175.087 175.328 0.001 0.000 1.221 25 H CA -0.389 55.657 56.048 -0.002 0.000 1.121 25 H CB 1.230 30.988 29.762 -0.007 0.000 1.854 25 H HN 0.262 nan 8.280 nan 0.000 0.551 26 A N 0.919 123.816 122.820 0.129 0.000 2.386 26 A HA 0.622 4.943 4.320 0.002 0.000 0.248 26 A C 0.266 177.891 177.584 0.067 0.000 1.082 26 A CA 0.160 52.242 52.037 0.074 0.000 0.789 26 A CB -0.178 18.854 19.000 0.052 0.000 1.025 26 A HN 0.790 nan 8.150 nan 0.000 0.490 27 A N 0.419 123.274 122.820 0.059 0.000 2.304 27 A HA 0.597 4.918 4.320 0.002 0.000 0.271 27 A C -0.509 177.051 177.584 -0.040 0.000 1.091 27 A CA -0.293 51.762 52.037 0.030 0.000 0.812 27 A CB 0.379 19.471 19.000 0.155 0.000 1.056 27 A HN 1.354 nan 8.150 nan 0.000 0.489 28 L N 2.245 123.326 121.223 -0.236 0.000 2.372 28 L HA 0.531 4.872 4.340 0.002 0.000 0.273 28 L C -1.243 175.327 176.870 -0.499 0.000 0.989 28 L CA 0.144 54.844 54.840 -0.233 0.000 0.841 28 L CB 0.961 42.920 42.059 -0.168 0.000 1.225 28 L HN 0.743 nan 8.230 nan 0.000 0.414 29 H N 2.520 121.600 119.070 0.016 0.000 3.017 29 H HA 0.338 4.895 4.556 0.002 0.000 0.340 29 H C -0.482 174.857 175.328 0.018 0.000 1.014 29 H CA -0.563 55.496 56.048 0.019 0.000 1.341 29 H CB 1.955 31.732 29.762 0.024 0.000 1.739 29 H HN 0.638 nan 8.280 nan 0.000 0.506 30 S N 1.763 117.529 115.700 0.111 0.000 2.576 30 S HA 0.000 4.471 4.470 0.002 0.000 0.272 30 S C 1.170 175.815 174.600 0.075 0.000 1.352 30 S CA 0.056 58.299 58.200 0.071 0.000 1.021 30 S CB 1.093 64.321 63.200 0.047 0.000 0.887 30 S HN 0.580 nan 8.310 nan 0.000 0.542 31 T N 1.669 116.255 114.554 0.054 0.000 2.788 31 T HA -0.096 4.255 4.350 0.002 0.000 0.268 31 T C 1.613 176.338 174.700 0.042 0.000 1.044 31 T CA 1.403 63.531 62.100 0.046 0.000 1.139 31 T CB -0.510 68.379 68.868 0.035 0.000 0.867 31 T HN 0.543 nan 8.240 nan 0.000 0.454 32 L N 1.426 122.671 121.223 0.037 0.000 2.056 32 L HA 0.124 4.465 4.340 0.002 0.000 0.207 32 L C 2.599 179.491 176.870 0.036 0.000 1.078 32 L CA 1.849 56.708 54.840 0.031 0.000 0.749 32 L CB -1.026 41.047 42.059 0.024 0.000 0.901 32 L HN 0.203 nan 8.230 nan 0.000 0.433 33 A N -0.740 122.109 122.820 0.049 0.000 1.902 33 A HA -0.189 4.132 4.320 0.002 0.000 0.217 33 A C 2.291 179.909 177.584 0.057 0.000 1.181 33 A CA 1.647 53.720 52.037 0.059 0.000 0.623 33 A CB -0.507 18.548 19.000 0.091 0.000 0.818 33 A HN 0.378 nan 8.150 nan 0.000 0.443 34 K N 0.080 120.515 120.400 0.059 0.000 2.057 34 K HA -0.092 4.229 4.320 0.002 0.000 0.207 34 K C 1.931 178.560 176.600 0.048 0.000 1.049 34 K CA 1.552 57.867 56.287 0.048 0.000 0.931 34 K CB -0.347 32.180 32.500 0.044 0.000 0.714 34 K HN 0.527 nan 8.250 nan 0.000 0.440 35 K N 0.671 121.095 120.400 0.040 0.000 2.103 35 K HA -0.070 4.250 4.320 0.002 0.000 0.207 35 K C 2.218 178.835 176.600 0.028 0.000 1.048 35 K CA 1.007 57.314 56.287 0.032 0.000 0.930 35 K CB -0.117 32.397 32.500 0.024 0.000 0.716 35 K HN 0.053 nan 8.250 nan 0.000 0.444 36 L N 0.221 121.459 121.223 0.026 0.000 2.109 36 L HA -0.160 4.181 4.340 0.002 0.000 0.207 36 L C 2.000 178.883 176.870 0.021 0.000 1.086 36 L CA 1.035 55.883 54.840 0.013 0.000 0.760 36 L CB -0.235 41.829 42.059 0.008 0.000 0.910 36 L HN 0.156 nan 8.230 nan 0.000 0.437 37 D N 0.009 120.441 120.400 0.053 0.000 2.234 37 D HA -0.162 4.479 4.640 0.002 0.000 0.205 37 D C 2.164 178.567 176.300 0.171 0.000 0.962 37 D CA 0.674 54.734 54.000 0.101 0.000 0.855 37 D CB 0.215 41.102 40.800 0.145 0.000 0.951 37 D HN 0.019 nan 8.370 nan 0.000 0.500 38 K N 0.565 121.050 120.400 0.143 0.000 2.074 38 K HA -0.204 4.117 4.320 0.002 0.000 0.209 38 K C 1.745 178.419 176.600 0.124 0.000 1.048 38 K CA 1.304 57.689 56.287 0.164 0.000 0.926 38 K CB 0.088 32.644 32.500 0.093 0.000 0.713 38 K HN 0.062 nan 8.250 nan 0.000 0.444 39 K N -0.890 119.537 120.400 0.045 0.000 2.209 39 K HA -0.208 4.113 4.320 0.002 0.000 0.204 39 K C 2.020 178.580 176.600 -0.067 0.000 1.048 39 K CA 1.516 57.798 56.287 -0.008 0.000 0.940 39 K CB -0.276 32.202 32.500 -0.037 0.000 0.729 39 K HN 0.339 nan 8.250 nan 0.000 0.451 40 H N -0.674 118.243 119.070 -0.254 0.000 2.423 40 H HA -0.118 4.439 4.556 0.002 0.000 0.297 40 H C 0.816 175.851 175.328 -0.488 0.000 1.075 40 H CA 1.581 57.318 56.048 -0.518 0.000 1.342 40 H CB 0.114 29.341 29.762 -0.891 0.000 1.395 40 H HN 0.273 nan 8.280 nan 0.000 0.530 41 W N 0.225 121.556 121.300 0.051 0.000 3.220 41 W HA 0.227 4.888 4.660 0.002 0.000 0.328 41 W C 0.386 176.867 176.519 -0.064 0.000 1.205 41 W CA -0.775 56.489 57.345 -0.134 0.000 1.773 41 W CB 0.319 29.666 29.460 -0.189 0.000 1.086 41 W HN -0.164 nan 8.180 nan 0.000 0.622 42 K N 2.120 122.617 120.400 0.161 0.000 2.473 42 K HA -0.057 4.264 4.320 0.002 0.000 0.277 42 K C 1.160 177.848 176.600 0.147 0.000 1.052 42 K CA 0.680 57.040 56.287 0.122 0.000 1.114 42 K CB 0.446 32.985 32.500 0.065 0.000 0.869 42 K HN -0.048 nan 8.250 nan 0.000 0.481 43 R N 2.061 122.631 120.500 0.116 0.000 2.121 43 R HA 0.055 4.396 4.340 0.002 0.000 0.206 43 R C 0.510 176.853 176.300 0.071 0.000 1.094 43 R CA 0.427 56.597 56.100 0.116 0.000 1.055 43 R CB -0.545 29.810 30.300 0.092 0.000 0.964 43 R HN 0.820 nan 8.270 nan 0.000 0.473 44 N N 2.014 120.745 118.700 0.052 0.000 2.405 44 N HA 0.197 4.938 4.740 0.002 0.000 0.269 44 N C -2.627 172.904 175.510 0.035 0.000 1.249 44 N CA -1.629 51.441 53.050 0.034 0.000 0.974 44 N CB -0.832 37.673 38.487 0.030 0.000 1.204 44 N HN -0.235 nan 8.380 nan 0.000 0.565 45 P HA 0.077 nan 4.420 nan 0.000 0.269 45 P C -0.770 176.554 177.300 0.041 0.000 1.209 45 P CA 0.146 63.269 63.100 0.039 0.000 0.776 45 P CB 0.288 32.020 31.700 0.053 0.000 0.876 46 D N 2.157 122.576 120.400 0.031 0.000 2.313 46 D HA 0.017 4.658 4.640 0.002 0.000 0.239 46 D C 1.110 177.434 176.300 0.039 0.000 1.142 46 D CA -0.326 53.686 54.000 0.020 0.000 0.847 46 D CB 0.859 41.651 40.800 -0.015 0.000 1.082 46 D HN 0.346 nan 8.370 nan 0.000 0.480 47 K N 2.997 123.433 120.400 0.061 0.000 2.360 47 K HA -0.102 4.219 4.320 0.002 0.000 0.201 47 K C 0.541 177.225 176.600 0.139 0.000 1.046 47 K CA 0.895 57.249 56.287 0.113 0.000 0.945 47 K CB 0.137 32.703 32.500 0.109 0.000 0.750 47 K HN 0.163 nan 8.250 nan 0.000 0.464 48 N N 0.420 119.120 118.700 -0.000 0.000 2.398 48 N HA -0.021 4.720 4.740 0.002 0.000 0.188 48 N C -0.322 174.837 175.510 -0.585 0.000 1.122 48 N CA 0.176 53.100 53.050 -0.209 0.000 0.866 48 N CB 0.176 38.565 38.487 -0.164 0.000 0.970 48 N HN 0.207 nan 8.380 nan 0.000 0.462 49 C N 0.988 120.138 119.300 -0.250 0.000 2.303 49 C HA 0.354 4.815 4.460 0.002 0.000 0.341 49 C C 1.297 176.317 174.990 0.049 0.000 1.244 49 C CA -0.577 58.331 59.018 -0.182 0.000 1.765 49 C CB -1.819 25.897 27.740 -0.041 0.000 2.379 49 C HN 0.358 nan 8.230 nan 0.000 0.530 50 F N 1.998 122.052 119.950 0.174 0.000 2.721 50 F HA 0.178 4.706 4.527 0.002 0.000 0.301 50 F C 0.690 176.449 175.800 -0.070 0.000 1.096 50 F CA -0.407 57.616 58.000 0.039 0.000 1.308 50 F CB -0.013 38.968 39.000 -0.031 0.000 1.086 50 F HN 0.598 nan 8.300 nan 0.000 0.587 51 H N 0.605 119.738 119.070 0.105 0.000 2.597 51 H HA 0.257 4.814 4.556 0.002 0.000 0.303 51 H C 0.217 175.552 175.328 0.011 0.000 1.057 51 H CA -1.767 54.306 56.048 0.042 0.000 1.261 51 H CB 0.291 30.060 29.762 0.011 0.000 1.397 51 H HN 0.138 nan 8.280 nan 0.000 0.461 52 C N 1.867 121.213 119.300 0.078 0.000 2.705 52 C HA 0.288 4.749 4.460 0.002 0.000 0.382 52 C C 0.913 175.915 174.990 0.021 0.000 1.322 52 C CA -0.883 58.155 59.018 0.033 0.000 2.290 52 C CB 0.453 28.186 27.740 -0.011 0.000 2.650 52 C HN 0.709 nan 8.230 nan 0.000 0.695 53 E N 0.971 121.169 120.200 -0.003 0.000 2.343 53 E HA 0.176 4.526 4.350 0.002 0.000 0.269 53 E C -0.251 176.328 176.600 -0.036 0.000 1.047 53 E CA -0.056 56.333 56.400 -0.018 0.000 0.874 53 E CB 0.627 30.312 29.700 -0.026 0.000 1.033 53 E HN 0.646 nan 8.360 nan 0.000 0.409 54 K N 3.389 123.768 120.400 -0.035 0.000 2.484 54 K HA 0.002 4.323 4.320 0.002 0.000 0.280 54 K C 0.534 177.093 176.600 -0.068 0.000 1.013 54 K CA 0.380 56.640 56.287 -0.044 0.000 1.029 54 K CB 0.448 32.929 32.500 -0.033 0.000 0.902 54 K HN 0.426 nan 8.250 nan 0.000 0.481 55 L N 2.022 123.190 121.223 -0.093 0.000 3.184 55 L HA 0.132 4.473 4.340 0.002 0.000 0.283 55 L C 0.339 177.114 176.870 -0.159 0.000 1.218 55 L CA -0.178 54.575 54.840 -0.145 0.000 1.028 55 L CB 0.513 42.453 42.059 -0.199 0.000 1.400 55 L HN 0.661 nan 8.230 nan 0.000 0.591 56 E N 1.627 121.771 120.200 -0.094 0.000 2.480 56 E HA -0.145 4.206 4.350 0.002 0.000 0.258 56 E C 0.499 177.069 176.600 -0.049 0.000 0.984 56 E CA 0.216 56.578 56.400 -0.064 0.000 0.930 56 E CB 0.216 29.904 29.700 -0.019 0.000 0.936 56 E HN 0.245 nan 8.360 nan 0.000 0.466 57 N N 3.047 121.728 118.700 -0.032 0.000 2.714 57 N HA -0.251 4.490 4.740 0.002 0.000 0.250 57 N C -1.399 174.136 175.510 0.041 0.000 1.117 57 N CA 0.877 53.996 53.050 0.116 0.000 0.719 57 N CB -0.978 37.602 38.487 0.156 0.000 1.081 57 N HN 0.456 nan 8.380 nan 0.000 0.557 58 N N 0.521 119.073 118.700 -0.247 0.000 2.527 58 N HA 0.225 4.966 4.740 0.002 0.000 0.236 58 N C -0.668 174.615 175.510 -0.380 0.000 0.999 58 N CA -0.238 52.702 53.050 -0.184 0.000 0.935 58 N CB -0.149 38.237 38.487 -0.169 0.000 1.132 58 N HN 0.185 nan 8.380 nan 0.000 0.511 59 F N 0.689 120.703 119.950 0.107 0.000 2.750 59 F HA 0.286 4.814 4.527 0.002 0.000 0.297 59 F C 0.395 176.306 175.800 0.184 0.000 1.138 59 F CA -0.712 57.416 58.000 0.213 0.000 1.346 59 F CB 0.214 39.325 39.000 0.184 0.000 0.965 59 F HN 0.183 nan 8.300 nan 0.000 0.514 60 D N 0.785 121.296 120.400 0.185 0.000 2.399 60 D HA -0.061 4.579 4.640 0.002 0.000 0.241 60 D C 0.043 176.446 176.300 0.172 0.000 1.133 60 D CA 0.156 54.245 54.000 0.149 0.000 0.890 60 D CB 0.601 41.447 40.800 0.077 0.000 1.201 60 D HN 0.065 nan 8.370 nan 0.000 0.432 61 D N 0.846 121.344 120.400 0.163 0.000 2.472 61 D HA -0.050 4.591 4.640 0.002 0.000 0.248 61 D C 0.995 177.383 176.300 0.147 0.000 1.174 61 D CA 0.141 54.244 54.000 0.172 0.000 0.883 61 D CB 0.241 41.120 40.800 0.132 0.000 1.149 61 D HN 0.428 nan 8.370 nan 0.000 0.488 62 I N -0.181 120.498 120.570 0.181 0.000 4.082 62 I HA 0.230 4.401 4.170 0.002 0.000 0.337 62 I C 0.238 176.485 176.117 0.217 0.000 1.352 62 I CA -0.699 60.693 61.300 0.153 0.000 1.097 62 I CB 0.051 38.096 38.000 0.076 0.000 1.048 62 I HN -0.023 nan 8.210 nan 0.000 0.393 63 K N 1.766 122.281 120.400 0.193 0.000 2.448 63 K HA 0.099 4.420 4.320 0.002 0.000 0.278 63 K C 0.201 176.958 176.600 0.261 0.000 1.009 63 K CA 0.103 56.497 56.287 0.178 0.000 0.995 63 K CB 0.554 33.130 32.500 0.127 0.000 0.917 63 K HN 0.383 nan 8.250 nan 0.000 0.481 64 H N 0.326 119.427 119.070 0.051 0.000 2.548 64 H HA -0.053 4.504 4.556 0.002 0.000 0.268 64 H C 1.460 176.813 175.328 0.040 0.000 0.975 64 H CA 1.001 57.075 56.048 0.042 0.000 1.195 64 H CB 0.463 30.245 29.762 0.034 0.000 1.397 64 H HN 0.688 nan 8.280 nan 0.000 0.572 65 T N -1.735 112.917 114.554 0.164 0.000 3.065 65 T HA 0.001 4.352 4.350 0.002 0.000 0.252 65 T C 1.042 175.795 174.700 0.089 0.000 1.099 65 T CA -0.133 62.031 62.100 0.106 0.000 1.063 65 T CB -0.146 68.772 68.868 0.082 0.000 0.948 65 T HN -0.037 nan 8.240 nan 0.000 0.506 66 T N 3.157 117.768 114.554 0.095 0.000 2.908 66 T HA 0.400 4.751 4.350 0.002 0.000 0.301 66 T C -0.226 174.513 174.700 0.064 0.000 1.019 66 T CA 0.143 62.294 62.100 0.085 0.000 1.152 66 T CB 0.145 69.066 68.868 0.088 0.000 0.966 66 T HN 0.286 nan 8.240 nan 0.000 0.540 67 L N 2.109 123.367 121.223 0.059 0.000 2.354 67 L HA 0.711 5.052 4.340 0.002 0.000 0.269 67 L C 0.867 177.715 176.870 -0.038 0.000 1.005 67 L CA -1.044 53.788 54.840 -0.015 0.000 0.819 67 L CB 2.040 44.053 42.059 -0.076 0.000 1.311 67 L HN 0.737 nan 8.230 nan 0.000 0.423 68 G N -0.273 108.436 108.800 -0.150 0.000 2.552 68 G HA2 0.243 4.204 3.960 0.002 0.000 0.318 68 G HA3 0.243 4.204 3.960 0.002 0.000 0.318 68 G C 0.394 174.985 174.900 -0.516 0.000 1.240 68 G CA -0.263 44.707 45.100 -0.218 0.000 1.002 68 G HN 0.792 nan 8.290 nan 0.000 0.493 69 E N -0.540 119.402 120.200 -0.430 0.000 2.058 69 E HA -0.206 4.145 4.350 0.002 0.000 0.194 69 E C 2.281 178.646 176.600 -0.391 0.000 0.997 69 E CA 1.214 57.262 56.400 -0.587 0.000 0.801 69 E CB -0.066 29.585 29.700 -0.082 0.000 0.746 69 E HN 0.505 nan 8.360 nan 0.000 0.450 70 R N -0.139 120.236 120.500 -0.208 0.000 2.094 70 R HA -0.150 4.191 4.340 0.002 0.000 0.239 70 R C 2.374 178.598 176.300 -0.126 0.000 1.137 70 R CA 1.882 57.920 56.100 -0.102 0.000 0.943 70 R CB -0.753 29.541 30.300 -0.010 0.000 0.850 70 R HN 0.305 nan 8.270 nan 0.000 0.433 71 G N -0.304 108.406 108.800 -0.150 0.000 2.408 71 G HA2 -0.213 3.748 3.960 0.002 0.000 0.217 71 G HA3 -0.213 3.748 3.960 0.002 0.000 0.217 71 G C 1.524 176.314 174.900 -0.184 0.000 1.150 71 G CA 0.727 45.751 45.100 -0.126 0.000 0.776 71 G HN 0.509 nan 8.290 nan 0.000 0.542 72 A N 0.584 123.183 122.820 -0.368 0.000 1.898 72 A HA 0.136 4.457 4.320 0.002 0.000 0.216 72 A C 2.413 179.871 177.584 -0.210 0.000 1.181 72 A CA 1.105 52.897 52.037 -0.408 0.000 0.620 72 A CB -0.373 17.989 19.000 -1.063 0.000 0.819 72 A HN 0.344 nan 8.150 nan 0.000 0.442 73 L N -1.080 120.032 121.223 -0.184 0.000 2.046 73 L HA -0.186 4.155 4.340 0.002 0.000 0.208 73 L C 2.898 179.756 176.870 -0.021 0.000 1.077 73 L CA 1.387 56.206 54.840 -0.034 0.000 0.747 73 L CB -0.468 41.594 42.059 0.005 0.000 0.896 73 L HN 0.358 nan 8.230 nan 0.000 0.432 74 R N -0.199 120.276 120.500 -0.042 0.000 2.073 74 R HA -0.211 4.130 4.340 0.002 0.000 0.234 74 R C 2.251 178.540 176.300 -0.018 0.000 1.134 74 R CA 1.607 57.693 56.100 -0.023 0.000 0.952 74 R CB -0.234 30.050 30.300 -0.026 0.000 0.850 74 R HN 0.225 nan 8.270 nan 0.000 0.433 75 E N 0.719 120.902 120.200 -0.029 0.000 2.106 75 E HA -0.101 4.250 4.350 0.002 0.000 0.192 75 E C 1.772 178.367 176.600 -0.008 0.000 0.984 75 E CA 1.411 57.801 56.400 -0.016 0.000 0.806 75 E CB -0.084 29.606 29.700 -0.017 0.000 0.750 75 E HN 0.328 nan 8.360 nan 0.000 0.458 76 A N 0.155 122.975 122.820 0.000 0.000 1.933 76 A HA -0.143 4.178 4.320 0.002 0.000 0.218 76 A C 2.210 179.801 177.584 0.012 0.000 1.175 76 A CA 1.629 53.675 52.037 0.015 0.000 0.628 76 A CB -0.486 18.553 19.000 0.064 0.000 0.814 76 A HN 0.336 nan 8.150 nan 0.000 0.444 77 M N -1.596 118.013 119.600 0.016 0.000 2.319 77 M HA -0.061 4.420 4.480 0.002 0.000 0.265 77 M C 2.290 178.594 176.300 0.007 0.000 1.068 77 M CA 1.305 56.615 55.300 0.017 0.000 1.118 77 M CB -0.159 32.451 32.600 0.016 0.000 1.395 77 M HN 0.442 nan 8.290 nan 0.000 0.435 78 R N 0.042 120.542 120.500 0.001 0.000 2.115 78 R HA -0.040 4.301 4.340 0.002 0.000 0.226 78 R C 0.799 177.097 176.300 -0.003 0.000 1.100 78 R CA 0.444 56.544 56.100 0.001 0.000 0.980 78 R CB -0.066 30.234 30.300 -0.001 0.000 0.875 78 R HN 0.436 nan 8.270 nan 0.000 0.445 79 C N 1.372 120.664 119.300 -0.014 0.000 2.538 79 C HA 0.020 4.481 4.460 0.002 0.000 0.408 79 C C 1.918 176.896 174.990 -0.020 0.000 1.421 79 C CA -0.405 58.595 59.018 -0.028 0.000 1.642 79 C CB -0.520 27.184 27.740 -0.061 0.000 2.553 79 C HN 0.570 nan 8.230 nan 0.000 0.604 80 L N 3.918 125.130 121.223 -0.018 0.000 2.465 80 L HA 0.020 4.361 4.340 0.002 0.000 0.224 80 L C 1.605 178.465 176.870 -0.017 0.000 1.145 80 L CA 0.577 55.413 54.840 -0.007 0.000 0.834 80 L CB -0.621 41.438 42.059 -0.001 0.000 0.944 80 L HN 0.827 nan 8.230 nan 0.000 0.451 81 K N -0.195 120.180 120.400 -0.041 0.000 3.257 81 K HA -0.172 4.149 4.320 0.002 0.000 0.270 81 K C -0.075 176.500 176.600 -0.042 0.000 0.984 81 K CA -0.035 56.219 56.287 -0.054 0.000 0.739 81 K CB -2.359 30.118 32.500 -0.039 0.000 1.351 81 K HN 0.323 nan 8.250 nan 0.000 0.463 82 C N 0.689 119.963 119.300 -0.043 0.000 2.703 82 C HA 0.354 4.815 4.460 0.002 0.000 0.411 82 C C 1.638 176.608 174.990 -0.034 0.000 1.290 82 C CA -0.459 58.540 59.018 -0.032 0.000 2.054 82 C CB -0.075 27.648 27.740 -0.029 0.000 2.732 82 C HN 0.648 nan 8.230 nan 0.000 0.650 83 A N 1.327 124.132 122.820 -0.024 0.000 2.371 83 A HA 0.449 4.769 4.320 0.002 0.000 0.257 83 A C 0.689 178.262 177.584 -0.019 0.000 1.089 83 A CA 0.096 52.121 52.037 -0.021 0.000 0.794 83 A CB -0.106 18.884 19.000 -0.016 0.000 1.029 83 A HN 1.096 nan 8.150 nan 0.000 0.488 84 D N -0.026 120.365 120.400 -0.015 0.000 2.702 84 D HA -0.136 4.505 4.640 0.002 0.000 0.233 84 D C 0.501 176.789 176.300 -0.021 0.000 1.164 84 D CA 1.082 55.077 54.000 -0.008 0.000 0.638 84 D CB -1.174 39.627 40.800 0.003 0.000 1.041 84 D HN 1.149 nan 8.370 nan 0.000 0.422 85 A N 0.804 123.599 122.820 -0.041 0.000 2.591 85 A HA 0.154 4.475 4.320 0.002 0.000 0.244 85 A C -0.477 177.078 177.584 -0.048 0.000 1.031 85 A CA 0.032 52.038 52.037 -0.052 0.000 0.767 85 A CB 0.375 19.328 19.000 -0.078 0.000 0.942 85 A HN 0.333 nan 8.150 nan 0.000 0.514 86 P HA -0.121 nan 4.420 nan 0.000 0.225 86 P C 1.561 178.841 177.300 -0.034 0.000 1.156 86 P CA 1.550 64.635 63.100 -0.025 0.000 0.787 86 P CB -0.416 31.275 31.700 -0.016 0.000 0.802 87 C N -0.548 118.725 119.300 -0.046 0.000 2.446 87 C HA -0.097 4.364 4.460 0.002 0.000 0.277 87 C C 2.995 177.949 174.990 -0.060 0.000 1.275 87 C CA 0.896 59.886 59.018 -0.047 0.000 1.727 87 C CB -2.193 25.515 27.740 -0.053 0.000 2.010 87 C HN 0.211 nan 8.230 nan 0.000 0.486 88 Q N 1.476 121.215 119.800 -0.101 0.000 2.079 88 Q HA -0.171 4.170 4.340 0.002 0.000 0.200 88 Q C 2.263 178.171 176.000 -0.152 0.000 0.974 88 Q CA 1.548 57.241 55.803 -0.183 0.000 0.840 88 Q CB -0.182 28.372 28.738 -0.306 0.000 0.898 88 Q HN 0.715 nan 8.270 nan 0.000 0.430 89 K N -0.177 120.184 120.400 -0.066 0.000 2.209 89 K HA -0.037 4.284 4.320 0.002 0.000 0.204 89 K C 1.745 178.370 176.600 0.042 0.000 1.048 89 K CA 1.296 57.609 56.287 0.045 0.000 0.940 89 K CB 0.134 32.658 32.500 0.041 0.000 0.729 89 K HN 0.065 nan 8.250 nan 0.000 0.451 90 S N 0.232 115.934 115.700 0.003 0.000 2.575 90 S HA 0.009 4.480 4.470 0.002 0.000 0.215 90 S C 0.370 174.972 174.600 0.003 0.000 0.966 90 S CA -0.276 57.924 58.200 -0.001 0.000 0.911 90 S CB -0.055 63.133 63.200 -0.019 0.000 0.780 90 S HN 0.339 nan 8.310 nan 0.000 0.514 91 C N 3.438 122.744 119.300 0.010 0.000 2.285 91 C HA 0.455 4.916 4.460 0.002 0.000 0.335 91 C C -1.567 173.447 174.990 0.041 0.000 1.267 91 C CA -2.177 56.850 59.018 0.015 0.000 1.762 91 C CB 0.499 28.241 27.740 0.003 0.000 2.365 91 C HN 0.248 nan 8.230 nan 0.000 0.527 92 P HA -0.091 nan 4.420 nan 0.000 0.219 92 P C 1.231 178.554 177.300 0.037 0.000 1.146 92 P CA 1.813 64.929 63.100 0.027 0.000 0.808 92 P CB 0.061 31.767 31.700 0.010 0.000 0.779 93 T N -6.541 108.036 114.554 0.039 0.000 3.105 93 T HA 0.156 4.507 4.350 0.002 0.000 0.253 93 T C 0.382 175.149 174.700 0.111 0.000 1.047 93 T CA -0.286 61.841 62.100 0.045 0.000 0.944 93 T CB -1.045 67.833 68.868 0.017 0.000 1.016 93 T HN 0.072 nan 8.240 nan 0.000 0.544 94 H N -0.212 118.849 119.070 -0.015 0.000 2.713 94 H HA -0.115 4.442 4.556 0.002 0.000 0.311 94 H C -0.418 174.914 175.328 0.007 0.000 1.175 94 H CA -0.177 55.865 56.048 -0.008 0.000 1.143 94 H CB -2.269 27.480 29.762 -0.022 0.000 1.434 94 H HN 0.361 nan 8.280 nan 0.000 0.418 95 L N 1.072 122.287 121.223 -0.013 0.000 2.525 95 L HA 0.050 4.391 4.340 0.002 0.000 0.278 95 L C 0.886 177.741 176.870 -0.025 0.000 1.218 95 L CA 0.814 55.661 54.840 0.013 0.000 0.878 95 L CB 0.358 42.459 42.059 0.070 0.000 1.127 95 L HN 0.381 nan 8.230 nan 0.000 0.492 96 D N 3.913 124.327 120.400 0.023 0.000 2.551 96 D HA 0.060 4.701 4.640 0.002 0.000 0.223 96 D C 1.302 177.626 176.300 0.040 0.000 1.144 96 D CA 0.201 54.193 54.000 -0.013 0.000 1.025 96 D CB 0.100 40.904 40.800 0.006 0.000 1.085 96 D HN 0.438 nan 8.370 nan 0.000 0.506 97 I N 2.055 122.595 120.570 -0.050 0.000 2.208 97 I HA -0.264 3.907 4.170 0.002 0.000 0.245 97 I C 2.490 178.331 176.117 -0.460 0.000 1.097 97 I CA 0.882 61.988 61.300 -0.325 0.000 1.363 97 I CB -0.129 37.727 38.000 -0.241 0.000 1.051 97 I HN 0.318 nan 8.210 nan 0.000 0.413 98 K N 1.002 121.260 120.400 -0.238 0.000 2.044 98 K HA -0.219 4.102 4.320 0.002 0.000 0.210 98 K C 2.229 178.734 176.600 -0.157 0.000 1.049 98 K CA 2.218 58.395 56.287 -0.182 0.000 0.927 98 K CB -0.082 32.354 32.500 -0.108 0.000 0.713 98 K HN 0.182 nan 8.250 nan 0.000 0.443 99 S N 0.614 116.256 115.700 -0.097 0.000 2.355 99 S HA -0.110 4.361 4.470 0.002 0.000 0.222 99 S C 1.638 176.251 174.600 0.022 0.000 1.031 99 S CA 1.352 59.531 58.200 -0.034 0.000 0.993 99 S CB -0.458 62.740 63.200 -0.004 0.000 0.859 99 S HN 0.560 nan 8.310 nan 0.000 0.453 100 F N 1.826 121.762 119.950 -0.023 0.000 2.234 100 F HA 0.136 4.664 4.527 0.002 0.000 0.299 100 F C 1.696 177.517 175.800 0.036 0.000 1.087 100 F CA 0.669 58.667 58.000 -0.004 0.000 1.340 100 F CB -0.754 38.234 39.000 -0.020 0.000 1.031 100 F HN 0.101 nan 8.300 nan 0.000 0.500 101 I N 0.490 120.795 120.570 -0.440 0.000 2.439 101 I HA -0.206 3.965 4.170 0.002 0.000 0.251 101 I C 2.218 178.314 176.117 -0.035 0.000 1.139 101 I CA 1.440 62.585 61.300 -0.258 0.000 1.438 101 I CB -0.846 36.898 38.000 -0.426 0.000 1.085 101 I HN 0.223 nan 8.210 nan 0.000 0.427 102 T N 0.155 114.683 114.554 -0.044 0.000 2.746 102 T HA -0.146 4.205 4.350 0.002 0.000 0.267 102 T C 2.145 176.887 174.700 0.070 0.000 1.039 102 T CA 1.737 63.843 62.100 0.011 0.000 1.142 102 T CB -0.121 68.741 68.868 -0.010 0.000 0.866 102 T HN 0.269 nan 8.240 nan 0.000 0.444 103 S N 1.047 116.803 115.700 0.094 0.000 2.368 103 S HA -0.011 4.460 4.470 0.002 0.000 0.225 103 S C 2.034 176.746 174.600 0.187 0.000 1.030 103 S CA 0.910 59.187 58.200 0.127 0.000 0.999 103 S CB -0.416 62.864 63.200 0.134 0.000 0.844 103 S HN 0.424 nan 8.310 nan 0.000 0.459 104 I N 0.976 121.713 120.570 0.278 0.000 2.226 104 I HA -0.174 3.997 4.170 0.002 0.000 0.245 104 I C 2.632 178.929 176.117 0.300 0.000 1.100 104 I CA 1.108 62.660 61.300 0.420 0.000 1.374 104 I CB -0.423 37.831 38.000 0.424 0.000 1.057 104 I HN 0.288 nan 8.210 nan 0.000 0.413 105 S N 1.050 116.856 115.700 0.177 0.000 2.400 105 S HA -0.149 4.322 4.470 0.002 0.000 0.232 105 S C 1.513 176.179 174.600 0.110 0.000 1.025 105 S CA 1.516 59.789 58.200 0.121 0.000 0.993 105 S CB -0.287 62.960 63.200 0.078 0.000 0.808 105 S HN 0.415 nan 8.310 nan 0.000 0.478 106 N N 1.100 119.863 118.700 0.105 0.000 2.268 106 N HA 0.191 4.932 4.740 0.002 0.000 0.204 106 N C -0.087 175.428 175.510 0.008 0.000 1.124 106 N CA 0.117 53.214 53.050 0.078 0.000 0.838 106 N CB 0.153 38.710 38.487 0.117 0.000 0.994 106 N HN 0.452 nan 8.380 nan 0.000 0.489 107 K N -0.667 119.712 120.400 -0.035 0.000 3.274 107 K HA -0.210 4.111 4.320 0.002 0.000 0.300 107 K C -0.229 175.994 176.600 -0.628 0.000 1.230 107 K CA 0.503 56.569 56.287 -0.368 0.000 0.884 107 K CB -1.596 30.791 32.500 -0.188 0.000 1.242 107 K HN 0.136 nan 8.250 nan 0.000 0.467 108 N N 0.813 119.360 118.700 -0.255 0.000 3.083 108 N HA 0.151 4.892 4.740 0.002 0.000 0.260 108 N C 0.427 175.964 175.510 0.044 0.000 1.163 108 N CA -0.268 52.727 53.050 -0.092 0.000 1.060 108 N CB -0.029 38.487 38.487 0.048 0.000 1.345 108 N HN 0.211 nan 8.380 nan 0.000 0.515 109 Y N 0.162 120.591 120.300 0.215 0.000 2.293 109 Y HA -0.236 4.315 4.550 0.002 0.000 0.291 109 Y C 1.635 177.628 175.900 0.155 0.000 1.137 109 Y CA 0.636 58.844 58.100 0.181 0.000 1.202 109 Y CB -0.236 38.313 38.460 0.149 0.000 0.990 109 Y HN 0.471 nan 8.280 nan 0.000 0.537 110 Y N 0.928 121.364 120.300 0.228 0.000 2.114 110 Y HA -0.158 4.393 4.550 0.002 0.000 0.284 110 Y C 2.443 178.361 175.900 0.031 0.000 1.143 110 Y CA 1.415 59.600 58.100 0.142 0.000 1.135 110 Y CB -0.885 37.659 38.460 0.141 0.000 0.980 110 Y HN 0.022 nan 8.280 nan 0.000 0.499 111 G N -0.067 108.697 108.800 -0.060 0.000 2.442 111 G HA2 -0.273 3.688 3.960 0.002 0.000 0.219 111 G HA3 -0.273 3.688 3.960 0.002 0.000 0.219 111 G C 1.801 176.617 174.900 -0.141 0.000 1.141 111 G CA 1.118 46.125 45.100 -0.155 0.000 0.763 111 G HN 0.656 nan 8.290 nan 0.000 0.554 112 A N 1.233 124.053 122.820 0.000 0.000 1.877 112 A HA 0.275 4.596 4.320 0.002 0.000 0.216 112 A C 2.848 180.368 177.584 -0.106 0.000 1.186 112 A CA 2.320 54.404 52.037 0.079 0.000 0.620 112 A CB -0.898 18.253 19.000 0.252 0.000 0.822 112 A HN 0.807 nan 8.150 nan 0.000 0.443 113 A N -0.213 122.497 122.820 -0.183 0.000 1.902 113 A HA -0.183 4.138 4.320 0.002 0.000 0.217 113 A C 2.145 179.464 177.584 -0.442 0.000 1.181 113 A CA 2.064 53.928 52.037 -0.289 0.000 0.623 113 A CB -0.487 18.284 19.000 -0.382 0.000 0.818 113 A HN 0.578 nan 8.150 nan 0.000 0.443 114 K N -1.299 118.736 120.400 -0.608 0.000 2.057 114 K HA -0.201 4.119 4.320 0.002 0.000 0.207 114 K C 2.026 178.471 176.600 -0.257 0.000 1.049 114 K CA 1.934 57.933 56.287 -0.480 0.000 0.931 114 K CB -0.244 31.889 32.500 -0.611 0.000 0.714 114 K HN 0.362 nan 8.250 nan 0.000 0.440 115 M N 1.211 120.690 119.600 -0.202 0.000 2.132 115 M HA -0.069 4.412 4.480 0.002 0.000 0.263 115 M C 1.671 177.899 176.300 -0.120 0.000 1.065 115 M CA 1.437 56.678 55.300 -0.098 0.000 1.122 115 M CB -0.140 32.461 32.600 0.001 0.000 1.365 115 M HN 0.220 nan 8.290 nan 0.000 0.411 116 I N -0.946 119.494 120.570 -0.217 0.000 2.113 116 I HA -0.298 3.873 4.170 0.002 0.000 0.238 116 I C 1.798 177.690 176.117 -0.374 0.000 1.070 116 I CA 1.398 62.491 61.300 -0.345 0.000 1.332 116 I CB -0.500 37.197 38.000 -0.505 0.000 1.044 116 I HN 0.156 nan 8.210 nan 0.000 0.402 117 F N 0.608 120.245 119.950 -0.522 0.000 2.365 117 F HA -0.139 4.389 4.527 0.002 0.000 0.300 117 F C 2.695 178.248 175.800 -0.412 0.000 1.090 117 F CA 0.902 58.508 58.000 -0.656 0.000 1.408 117 F CB -0.633 37.513 39.000 -1.422 0.000 1.060 117 F HN -0.043 nan 8.300 nan 0.000 0.534 118 S N -0.620 115.019 115.700 -0.102 0.000 2.382 118 S HA -0.181 4.290 4.470 0.002 0.000 0.228 118 S C 1.567 176.236 174.600 0.115 0.000 1.027 118 S CA 1.545 59.770 58.200 0.041 0.000 0.991 118 S CB -0.183 63.020 63.200 0.004 0.000 0.823 118 S HN 0.385 nan 8.310 nan 0.000 0.469 119 D N 0.123 120.555 120.400 0.053 0.000 2.389 119 D HA 0.132 4.773 4.640 0.002 0.000 0.206 119 D C 0.089 176.463 176.300 0.123 0.000 1.055 119 D CA 0.247 54.327 54.000 0.135 0.000 0.856 119 D CB 0.224 41.065 40.800 0.068 0.000 0.957 119 D HN 0.157 nan 8.370 nan 0.000 0.509 120 N N 0.452 119.115 118.700 -0.062 0.000 2.594 120 N HA 0.153 4.894 4.740 0.002 0.000 0.280 120 N C -2.442 172.831 175.510 -0.394 0.000 1.156 120 N CA -1.462 51.492 53.050 -0.160 0.000 0.831 120 N CB 2.133 40.475 38.487 -0.241 0.000 1.379 120 N HN -0.309 nan 8.380 nan 0.000 0.536 121 P HA 0.015 nan 4.420 nan 0.000 0.228 121 P C 0.247 177.398 177.300 -0.249 0.000 1.151 121 P CA 0.841 63.809 63.100 -0.219 0.000 0.770 121 P CB 0.352 31.945 31.700 -0.178 0.000 0.786 122 L N -1.548 119.484 121.223 -0.318 0.000 3.141 122 L HA 0.368 4.709 4.340 0.002 0.000 0.263 122 L C 1.843 178.470 176.870 -0.405 0.000 1.312 122 L CA 0.058 54.750 54.840 -0.247 0.000 1.012 122 L CB -0.617 41.374 42.059 -0.113 0.000 1.408 122 L HN -0.108 nan 8.230 nan 0.000 0.559 123 G N -0.122 108.108 108.800 -0.950 0.000 2.442 123 G HA2 -0.271 3.690 3.960 0.002 0.000 0.219 123 G HA3 -0.271 3.690 3.960 0.002 0.000 0.219 123 G C 1.442 176.107 174.900 -0.392 0.000 1.141 123 G CA 0.805 45.364 45.100 -0.901 0.000 0.763 123 G HN 0.363 nan 8.290 nan 0.000 0.554 124 L N 0.701 121.858 121.223 -0.111 0.000 2.044 124 L HA 0.097 4.438 4.340 0.002 0.000 0.205 124 L C 2.908 179.790 176.870 0.019 0.000 1.075 124 L CA 2.382 57.272 54.840 0.083 0.000 0.747 124 L CB -1.073 41.174 42.059 0.313 0.000 0.903 124 L HN 0.160 nan 8.230 nan 0.000 0.435 125 T N -1.056 113.504 114.554 0.010 0.000 2.684 125 T HA -0.236 4.115 4.350 0.002 0.000 0.267 125 T C 1.997 176.680 174.700 -0.028 0.000 1.036 125 T CA 1.859 63.956 62.100 -0.004 0.000 1.148 125 T CB -0.684 68.177 68.868 -0.010 0.000 0.863 125 T HN 0.477 nan 8.240 nan 0.000 0.436 126 C N 1.216 120.474 119.300 -0.069 0.000 2.425 126 C HA 0.065 4.526 4.460 0.002 0.000 0.277 126 C C 3.083 178.044 174.990 -0.048 0.000 1.280 126 C CA 0.329 59.308 59.018 -0.066 0.000 1.744 126 C CB -1.554 26.125 27.740 -0.102 0.000 1.989 126 C HN 0.737 nan 8.230 nan 0.000 0.491 127 G N 0.149 108.912 108.800 -0.060 0.000 2.442 127 G HA2 -0.229 3.732 3.960 0.002 0.000 0.219 127 G HA3 -0.229 3.732 3.960 0.002 0.000 0.219 127 G C 1.601 176.506 174.900 0.008 0.000 1.141 127 G CA 0.799 45.884 45.100 -0.025 0.000 0.763 127 G HN 0.515 nan 8.290 nan 0.000 0.554 128 M N 0.122 119.727 119.600 0.009 0.000 2.236 128 M HA 0.057 4.538 4.480 0.002 0.000 0.266 128 M C 2.459 178.770 176.300 0.019 0.000 1.070 128 M CA 1.104 56.419 55.300 0.025 0.000 1.137 128 M CB 0.194 32.811 32.600 0.029 0.000 1.378 128 M HN 0.249 nan 8.290 nan 0.000 0.426 129 V N -4.071 115.847 119.914 0.006 0.000 3.645 129 V HA 0.199 4.320 4.120 0.002 0.000 0.275 129 V C 0.802 176.893 176.094 -0.005 0.000 1.356 129 V CA -0.640 61.661 62.300 0.002 0.000 1.051 129 V CB -0.769 31.054 31.823 0.000 0.000 0.828 129 V HN 0.278 nan 8.190 nan 0.000 0.441 130 C N 4.380 123.675 119.300 -0.009 0.000 2.596 130 C HA 0.257 4.718 4.460 0.002 0.000 0.414 130 C C -1.260 173.721 174.990 -0.015 0.000 1.396 130 C CA -0.053 58.957 59.018 -0.012 0.000 1.698 130 C CB 0.116 27.849 27.740 -0.011 0.000 2.572 130 C HN 0.542 nan 8.230 nan 0.000 0.604 131 P HA 0.088 nan 4.420 nan 0.000 0.225 131 P C 1.010 178.290 177.300 -0.033 0.000 1.813 131 P CA 0.281 63.359 63.100 -0.036 0.000 1.013 131 P CB -0.109 31.564 31.700 -0.044 0.000 1.961 132 T N -1.193 113.347 114.554 -0.022 0.000 2.760 132 T HA -0.241 4.110 4.350 0.002 0.000 0.269 132 T C 1.834 176.516 174.700 -0.030 0.000 1.047 132 T CA 2.015 64.106 62.100 -0.016 0.000 1.139 132 T CB -1.177 67.693 68.868 0.003 0.000 0.855 132 T HN 0.321 nan 8.240 nan 0.000 0.471 133 S N 1.081 116.756 115.700 -0.040 0.000 2.442 133 S HA -0.110 4.361 4.470 0.002 0.000 0.236 133 S C 1.563 176.119 174.600 -0.073 0.000 1.007 133 S CA 1.286 59.451 58.200 -0.057 0.000 0.965 133 S CB -0.484 62.679 63.200 -0.062 0.000 0.773 133 S HN 0.596 nan 8.310 nan 0.000 0.504 134 D N -0.318 120.045 120.400 -0.063 0.000 2.395 134 D HA 0.398 5.039 4.640 0.002 0.000 0.213 134 D C 0.627 176.898 176.300 -0.048 0.000 1.110 134 D CA -0.008 53.955 54.000 -0.062 0.000 0.835 134 D CB 0.211 40.976 40.800 -0.060 0.000 0.965 134 D HN 0.430 nan 8.370 nan 0.000 0.505 135 L N -1.220 119.978 121.223 -0.042 0.000 2.910 135 L HA 0.221 4.562 4.340 0.002 0.000 0.222 135 L C 2.316 179.169 176.870 -0.028 0.000 1.846 135 L CA -0.324 54.498 54.840 -0.029 0.000 2.581 135 L CB -0.670 41.378 42.059 -0.019 0.000 2.436 135 L HN 0.042 nan 8.230 nan 0.000 0.659 136 C N -0.152 119.138 119.300 -0.015 0.000 2.376 136 C HA -0.131 4.330 4.460 0.002 0.000 0.275 136 C C 2.404 177.382 174.990 -0.020 0.000 1.200 136 C CA 0.572 59.581 59.018 -0.013 0.000 1.756 136 C CB -1.372 26.371 27.740 0.005 0.000 2.050 136 C HN 0.489 nan 8.230 nan 0.000 0.460 137 V N 2.219 122.124 119.914 -0.014 0.000 2.594 137 V HA -0.020 4.101 4.120 0.002 0.000 0.253 137 V C 2.971 179.038 176.094 -0.044 0.000 1.069 137 V CA 2.211 64.504 62.300 -0.013 0.000 1.082 137 V CB -1.602 30.222 31.823 0.002 0.000 0.680 137 V HN 0.784 nan 8.190 nan 0.000 0.469 138 G N -0.097 108.661 108.800 -0.070 0.000 2.498 138 G HA2 -0.079 3.882 3.960 0.002 0.000 0.219 138 G HA3 -0.079 3.882 3.960 0.002 0.000 0.219 138 G C 1.312 176.134 174.900 -0.130 0.000 1.119 138 G CA 0.833 45.857 45.100 -0.127 0.000 0.766 138 G HN 0.625 nan 8.290 nan 0.000 0.552 139 G N -1.155 107.601 108.800 -0.074 0.000 3.159 139 G HA2 0.173 4.134 3.960 0.002 0.000 0.232 139 G HA3 0.173 4.134 3.960 0.002 0.000 0.232 139 G C 0.439 175.323 174.900 -0.026 0.000 1.116 139 G CA 0.027 45.094 45.100 -0.055 0.000 0.767 139 G HN 0.379 nan 8.290 nan 0.000 0.547 140 C N 1.700 120.992 119.300 -0.013 0.000 2.633 140 C HA 0.136 4.597 4.460 0.002 0.000 0.415 140 C C 1.866 176.890 174.990 0.056 0.000 1.393 140 C CA -0.444 58.584 59.018 0.018 0.000 1.700 140 C CB -0.458 27.302 27.740 0.033 0.000 2.541 140 C HN 0.468 nan 8.230 nan 0.000 0.603 141 N N 3.299 122.020 118.700 0.036 0.000 2.289 141 N HA -0.098 4.643 4.740 0.002 0.000 0.184 141 N C 1.438 176.985 175.510 0.062 0.000 1.016 141 N CA 1.249 54.326 53.050 0.046 0.000 0.872 141 N CB -0.150 38.348 38.487 0.020 0.000 0.973 141 N HN 0.770 nan 8.380 nan 0.000 0.433 142 L N 0.059 121.314 121.223 0.054 0.000 2.633 142 L HA -0.110 4.231 4.340 0.002 0.000 0.235 142 L C 1.846 178.750 176.870 0.057 0.000 1.163 142 L CA 0.262 55.126 54.840 0.041 0.000 0.859 142 L CB -0.373 41.700 42.059 0.024 0.000 0.973 142 L HN 0.140 nan 8.230 nan 0.000 0.451 143 Y N 0.760 121.053 120.300 -0.012 0.000 2.421 143 Y HA -0.162 4.389 4.550 0.002 0.000 0.292 143 Y C 2.208 178.102 175.900 -0.009 0.000 1.136 143 Y CA 0.873 58.967 58.100 -0.010 0.000 1.255 143 Y CB 0.015 38.469 38.460 -0.011 0.000 0.991 143 Y HN 0.135 nan 8.280 nan 0.000 0.552 144 A N -0.042 122.791 122.820 0.021 0.000 2.261 144 A HA 0.163 4.484 4.320 0.002 0.000 0.208 144 A C 0.816 178.352 177.584 -0.080 0.000 1.223 144 A CA 0.700 52.717 52.037 -0.033 0.000 0.833 144 A CB -1.160 17.855 19.000 0.025 0.000 0.830 144 A HN 0.389 nan 8.150 nan 0.000 0.483 145 T N -4.835 109.655 114.554 -0.106 0.000 2.924 145 T HA 0.527 4.878 4.350 0.002 0.000 0.291 145 T C 0.394 175.018 174.700 -0.126 0.000 1.045 145 T CA -0.436 61.611 62.100 -0.089 0.000 1.015 145 T CB 1.458 70.297 68.868 -0.049 0.000 1.103 145 T HN 0.108 nan 8.240 nan 0.000 0.496 146 E N 0.742 120.885 120.200 -0.096 0.000 2.085 146 E HA -0.166 4.185 4.350 0.002 0.000 0.194 146 E C 2.115 178.666 176.600 -0.083 0.000 0.994 146 E CA 1.599 57.942 56.400 -0.095 0.000 0.801 146 E CB -0.061 29.601 29.700 -0.064 0.000 0.743 146 E HN 0.850 nan 8.360 nan 0.000 0.453 147 E N 0.637 120.803 120.200 -0.057 0.000 2.338 147 E HA -0.047 4.304 4.350 0.002 0.000 0.197 147 E C 1.088 177.666 176.600 -0.038 0.000 1.007 147 E CA 0.910 57.288 56.400 -0.037 0.000 0.849 147 E CB -0.372 29.316 29.700 -0.020 0.000 0.774 147 E HN 0.138 nan 8.360 nan 0.000 0.506 148 G N 0.641 109.402 108.800 -0.064 0.000 2.757 148 G HA2 -0.218 3.743 3.960 0.002 0.000 0.638 148 G HA3 -0.218 3.743 3.960 0.002 0.000 0.638 148 G C -0.331 174.581 174.900 0.020 0.000 1.344 148 G CA -0.199 44.873 45.100 -0.047 0.000 0.855 148 G HN 0.269 nan 8.290 nan 0.000 0.537 149 S N -0.206 115.549 115.700 0.092 0.000 2.576 149 S HA 0.401 4.872 4.470 0.002 0.000 0.272 149 S C 1.206 175.838 174.600 0.054 0.000 1.352 149 S CA -0.350 57.909 58.200 0.098 0.000 1.021 149 S CB 0.448 63.736 63.200 0.147 0.000 0.887 149 S HN 0.603 nan 8.310 nan 0.000 0.542 150 I N 2.575 123.166 120.570 0.035 0.000 2.638 150 I HA 0.067 4.238 4.170 0.002 0.000 0.286 150 I C 0.827 176.962 176.117 0.030 0.000 1.088 150 I CA -0.211 61.101 61.300 0.019 0.000 1.397 150 I CB 0.123 38.119 38.000 -0.007 0.000 1.414 150 I HN 0.561 nan 8.210 nan 0.000 0.566 151 N N 6.279 124.999 118.700 0.034 0.000 2.895 151 N HA 0.138 4.879 4.740 0.002 0.000 0.277 151 N C 0.980 176.531 175.510 0.068 0.000 1.185 151 N CA 0.048 53.128 53.050 0.049 0.000 1.106 151 N CB -0.064 38.452 38.487 0.048 0.000 1.422 151 N HN 0.486 nan 8.380 nan 0.000 0.521 152 I N 0.326 120.938 120.570 0.069 0.000 2.179 152 I HA -0.175 3.996 4.170 0.002 0.000 0.242 152 I C 2.275 178.502 176.117 0.183 0.000 1.088 152 I CA 1.237 62.609 61.300 0.120 0.000 1.357 152 I CB -0.419 37.634 38.000 0.088 0.000 1.051 152 I HN 0.494 nan 8.210 nan 0.000 0.409 153 G N 0.681 109.548 108.800 0.113 0.000 2.446 153 G HA2 -0.205 3.756 3.960 0.002 0.000 0.217 153 G HA3 -0.205 3.756 3.960 0.002 0.000 0.217 153 G C 1.722 176.681 174.900 0.098 0.000 1.168 153 G CA 0.893 46.047 45.100 0.090 0.000 0.771 153 G HN 0.503 nan 8.290 nan 0.000 0.551 154 G N 0.689 109.549 108.800 0.100 0.000 2.422 154 G HA2 -0.124 3.837 3.960 0.002 0.000 0.218 154 G HA3 -0.124 3.837 3.960 0.002 0.000 0.218 154 G C 1.813 176.802 174.900 0.149 0.000 1.146 154 G CA 0.713 45.876 45.100 0.105 0.000 0.769 154 G HN 0.427 nan 8.290 nan 0.000 0.547 155 L N -0.267 121.068 121.223 0.186 0.000 2.056 155 L HA -0.082 4.259 4.340 0.002 0.000 0.207 155 L C 2.966 180.025 176.870 0.316 0.000 1.078 155 L CA 1.455 56.464 54.840 0.282 0.000 0.749 155 L CB -0.411 41.837 42.059 0.315 0.000 0.901 155 L HN 0.315 nan 8.230 nan 0.000 0.433 156 Q N 0.012 119.946 119.800 0.223 0.000 2.084 156 Q HA -0.298 4.043 4.340 0.002 0.000 0.202 156 Q C 2.253 178.218 176.000 -0.058 0.000 0.978 156 Q CA 1.920 57.643 55.803 -0.134 0.000 0.844 156 Q CB -0.066 28.565 28.738 -0.178 0.000 0.898 156 Q HN 0.473 nan 8.270 nan 0.000 0.426 157 Q N -0.586 119.234 119.800 0.034 0.000 2.050 157 Q HA -0.216 4.125 4.340 0.002 0.000 0.202 157 Q C 1.909 177.938 176.000 0.048 0.000 0.980 157 Q CA 1.611 57.439 55.803 0.040 0.000 0.840 157 Q CB -0.292 28.484 28.738 0.063 0.000 0.898 157 Q HN 0.480 nan 8.270 nan 0.000 0.424 158 F N 0.870 120.798 119.950 -0.036 0.000 2.075 158 F HA -0.158 4.370 4.527 0.002 0.000 0.297 158 F C 2.115 177.851 175.800 -0.106 0.000 1.113 158 F CA 1.763 59.710 58.000 -0.088 0.000 1.218 158 F CB -0.713 38.222 39.000 -0.109 0.000 0.984 158 F HN 0.167 nan 8.300 nan 0.000 0.472 159 A N -0.510 122.247 122.820 -0.104 0.000 1.908 159 A HA -0.179 4.142 4.320 0.002 0.000 0.218 159 A C 2.340 179.863 177.584 -0.102 0.000 1.181 159 A CA 2.127 54.081 52.037 -0.138 0.000 0.627 159 A CB -1.299 17.748 19.000 0.078 0.000 0.818 159 A HN 0.462 nan 8.150 nan 0.000 0.445 160 S N -0.361 115.322 115.700 -0.029 0.000 2.383 160 S HA -0.113 4.358 4.470 0.002 0.000 0.227 160 S C 1.861 176.458 174.600 -0.005 0.000 1.026 160 S CA 1.152 59.434 58.200 0.136 0.000 0.981 160 S CB -0.235 63.115 63.200 0.249 0.000 0.818 160 S HN 0.586 nan 8.310 nan 0.000 0.472 161 E N 0.860 120.965 120.200 -0.158 0.000 2.072 161 E HA -0.061 4.290 4.350 0.002 0.000 0.191 161 E C 2.255 178.686 176.600 -0.282 0.000 0.985 161 E CA 0.777 57.028 56.400 -0.249 0.000 0.801 161 E CB -0.318 29.243 29.700 -0.233 0.000 0.750 161 E HN 0.330 nan 8.360 nan 0.000 0.452 162 V N 1.333 121.030 119.914 -0.362 0.000 2.358 162 V HA -0.228 3.893 4.120 0.002 0.000 0.246 162 V C 2.166 178.312 176.094 0.087 0.000 1.047 162 V CA 1.632 63.800 62.300 -0.221 0.000 1.035 162 V CB -0.611 30.988 31.823 -0.373 0.000 0.658 162 V HN 0.164 nan 8.190 nan 0.000 0.452 163 F N 1.585 121.508 119.950 -0.045 0.000 2.126 163 F HA -0.204 4.324 4.527 0.002 0.000 0.299 163 F C 2.447 178.202 175.800 -0.075 0.000 1.096 163 F CA 2.268 60.289 58.000 0.034 0.000 1.255 163 F CB -0.426 38.576 39.000 0.003 0.000 0.997 163 F HN 0.058 nan 8.300 nan 0.000 0.479 164 K N 0.377 120.476 120.400 -0.502 0.000 2.063 164 K HA -0.174 4.147 4.320 0.002 0.000 0.208 164 K C 2.170 178.463 176.600 -0.512 0.000 1.048 164 K CA 1.407 57.113 56.287 -0.968 0.000 0.928 164 K CB -0.503 31.232 32.500 -1.275 0.000 0.713 164 K HN 0.304 nan 8.250 nan 0.000 0.442 165 A N 0.890 123.579 122.820 -0.219 0.000 2.067 165 A HA -0.101 4.220 4.320 0.002 0.000 0.219 165 A C 1.994 179.652 177.584 0.123 0.000 1.158 165 A CA 1.382 53.445 52.037 0.043 0.000 0.661 165 A CB -0.423 18.724 19.000 0.246 0.000 0.801 165 A HN 0.387 nan 8.150 nan 0.000 0.452 166 M N -0.966 118.655 119.600 0.035 0.000 2.394 166 M HA -0.030 4.451 4.480 0.002 0.000 0.264 166 M C -0.021 176.184 176.300 -0.159 0.000 1.073 166 M CA 0.420 55.682 55.300 -0.062 0.000 1.111 166 M CB -0.301 32.314 32.600 0.026 0.000 1.401 166 M HN 0.406 nan 8.290 nan 0.000 0.448 167 N N 2.011 120.488 118.700 -0.372 0.000 2.696 167 N HA -0.158 4.583 4.740 0.002 0.000 0.256 167 N C -1.161 174.158 175.510 -0.318 0.000 1.031 167 N CA 0.745 53.489 53.050 -0.510 0.000 0.730 167 N CB -1.094 36.718 38.487 -1.125 0.000 0.894 167 N HN 0.384 nan 8.380 nan 0.000 0.544 168 I N 1.335 121.738 120.570 -0.278 0.000 2.404 168 I HA 0.370 4.540 4.170 0.002 0.000 0.293 168 I C -1.723 174.363 176.117 -0.052 0.000 0.992 168 I CA -1.734 59.516 61.300 -0.083 0.000 1.149 168 I CB 1.924 39.944 38.000 0.034 0.000 1.315 168 I HN -0.070 nan 8.210 nan 0.000 0.446 169 P HA 0.138 nan 4.420 nan 0.000 0.278 169 P C -1.311 176.000 177.300 0.018 0.000 1.258 169 P CA -0.599 62.504 63.100 0.004 0.000 0.811 169 P CB 1.113 32.803 31.700 -0.017 0.000 1.063 170 Q N 0.925 120.707 119.800 -0.031 0.000 2.259 170 Q HA 0.507 4.848 4.340 0.002 0.000 0.246 170 Q C -0.295 175.608 176.000 -0.162 0.000 0.920 170 Q CA -0.645 55.036 55.803 -0.203 0.000 0.895 170 Q CB 0.492 29.108 28.738 -0.204 0.000 1.220 170 Q HN 0.479 nan 8.270 nan 0.000 0.439 171 I N -1.067 119.384 120.570 -0.197 0.000 3.002 171 I HA 0.591 4.762 4.170 0.002 0.000 0.310 171 I C -0.573 175.469 176.117 -0.125 0.000 1.087 171 I CA -1.449 59.777 61.300 -0.124 0.000 1.017 171 I CB 1.866 39.810 38.000 -0.093 0.000 1.226 171 I HN 0.579 nan 8.210 nan 0.000 0.443 172 R N 2.387 122.819 120.500 -0.113 0.000 2.679 172 R HA 0.049 4.390 4.340 0.002 0.000 0.268 172 R C 0.069 176.250 176.300 -0.198 0.000 1.044 172 R CA -0.172 55.853 56.100 -0.125 0.000 1.105 172 R CB 0.326 30.558 30.300 -0.114 0.000 0.989 172 R HN 0.796 nan 8.270 nan 0.000 0.447 173 N N 4.199 122.755 118.700 -0.240 0.000 2.411 173 N HA -0.022 4.719 4.740 0.002 0.000 0.265 173 N C -1.961 173.291 175.510 -0.429 0.000 1.266 173 N CA -1.190 51.561 53.050 -0.498 0.000 0.889 173 N CB 1.041 39.309 38.487 -0.364 0.000 1.069 173 N HN 0.378 nan 8.380 nan 0.000 0.476 174 P HA -0.080 nan 4.420 nan 0.000 0.219 174 P C 0.562 177.725 177.300 -0.229 0.000 1.146 174 P CA 0.975 63.896 63.100 -0.299 0.000 0.808 174 P CB 0.184 31.723 31.700 -0.269 0.000 0.779 175 C N -1.968 117.176 119.300 -0.260 0.000 2.562 175 C HA 0.154 4.615 4.460 0.002 0.000 0.266 175 C C 1.243 176.146 174.990 -0.145 0.000 1.382 175 C CA -0.394 58.528 59.018 -0.161 0.000 1.742 175 C CB -1.563 26.102 27.740 -0.125 0.000 1.812 175 C HN 0.147 nan 8.230 nan 0.000 0.559 176 L N 1.700 122.816 121.223 -0.179 0.000 2.417 176 L HA 0.263 4.604 4.340 0.002 0.000 0.268 176 L C -1.882 174.893 176.870 -0.159 0.000 1.158 176 L CA -1.302 53.432 54.840 -0.177 0.000 0.819 176 L CB 0.162 42.097 42.059 -0.207 0.000 1.112 176 L HN -0.052 nan 8.230 nan 0.000 0.458 177 P HA 0.027 nan 4.420 nan 0.000 0.271 177 P C -0.665 176.554 177.300 -0.135 0.000 1.233 177 P CA -0.439 62.581 63.100 -0.134 0.000 0.789 177 P CB 0.456 32.072 31.700 -0.139 0.000 0.951 178 S N 0.473 116.111 115.700 -0.103 0.000 2.566 178 S HA -0.044 4.427 4.470 0.002 0.000 0.280 178 S C 1.185 175.724 174.600 -0.102 0.000 1.343 178 S CA -0.136 58.009 58.200 -0.092 0.000 1.036 178 S CB 0.172 63.331 63.200 -0.068 0.000 0.866 178 S HN 0.433 nan 8.310 nan 0.000 0.526 179 Q N 1.006 120.751 119.800 -0.092 0.000 2.197 179 Q HA -0.204 4.137 4.340 0.002 0.000 0.207 179 Q C 1.735 177.692 176.000 -0.072 0.000 0.984 179 Q CA 2.097 57.847 55.803 -0.089 0.000 0.869 179 Q CB -0.296 28.402 28.738 -0.066 0.000 0.906 179 Q HN 0.843 nan 8.270 nan 0.000 0.426 180 E N 0.508 120.673 120.200 -0.057 0.000 2.285 180 E HA -0.071 4.280 4.350 0.002 0.000 0.194 180 E C 1.095 177.668 176.600 -0.045 0.000 0.997 180 E CA 0.755 57.129 56.400 -0.043 0.000 0.845 180 E CB 0.147 29.827 29.700 -0.033 0.000 0.782 180 E HN 0.189 nan 8.360 nan 0.000 0.491 181 K N -0.200 120.163 120.400 -0.061 0.000 2.404 181 K HA 0.148 4.469 4.320 0.002 0.000 0.194 181 K C 0.053 176.607 176.600 -0.078 0.000 1.023 181 K CA -0.045 56.206 56.287 -0.060 0.000 1.094 181 K CB 0.290 32.753 32.500 -0.062 0.000 0.841 181 K HN 0.107 nan 8.250 nan 0.000 0.523 182 M N 1.811 121.348 119.600 -0.105 0.000 2.238 182 M HA 0.160 4.641 4.480 0.002 0.000 0.347 182 M C -2.164 174.114 176.300 -0.037 0.000 1.173 182 M CA -2.236 52.975 55.300 -0.148 0.000 1.147 182 M CB -0.418 32.047 32.600 -0.224 0.000 1.547 182 M HN -0.190 nan 8.290 nan 0.000 0.455 183 P HA 0.005 nan 4.420 nan 0.000 0.268 183 P C 0.693 178.028 177.300 0.059 0.000 1.208 183 P CA -0.036 63.115 63.100 0.085 0.000 0.777 183 P CB 0.480 32.272 31.700 0.153 0.000 0.875 184 E N 1.996 122.197 120.200 0.001 0.000 2.130 184 E HA -0.288 4.063 4.350 0.002 0.000 0.196 184 E C 1.690 178.116 176.600 -0.291 0.000 0.998 184 E CA 1.448 57.823 56.400 -0.042 0.000 0.806 184 E CB -0.372 29.368 29.700 0.065 0.000 0.738 184 E HN 0.490 nan 8.360 nan 0.000 0.459 185 A N 0.217 122.691 122.820 -0.576 0.000 1.986 185 A HA -0.207 4.114 4.320 0.002 0.000 0.220 185 A C 1.669 178.800 177.584 -0.755 0.000 1.171 185 A CA 1.550 52.824 52.037 -1.271 0.000 0.640 185 A CB -0.942 17.503 19.000 -0.926 0.000 0.811 185 A HN 0.495 nan 8.150 nan 0.000 0.451 186 Y N 0.698 120.764 120.300 -0.391 0.000 2.616 186 Y HA -0.043 4.508 4.550 0.001 0.000 0.296 186 Y C 2.497 178.327 175.900 -0.116 0.000 1.154 186 Y CA 0.969 58.832 58.100 -0.395 0.000 1.325 186 Y CB -0.061 38.109 38.460 -0.484 0.000 1.007 186 Y HN 0.452 nan 8.280 nan 0.000 0.542 187 S N -0.897 114.797 115.700 -0.010 0.000 2.556 187 S HA 0.391 4.862 4.470 0.002 0.000 0.216 187 S C 0.976 175.614 174.600 0.065 0.000 0.970 187 S CA -0.238 57.987 58.200 0.042 0.000 0.912 187 S CB -0.333 62.880 63.200 0.021 0.000 0.790 187 S HN 0.198 nan 8.310 nan 0.000 0.504 188 A N 2.244 125.097 122.820 0.056 0.000 2.546 188 A HA 0.241 4.562 4.320 0.002 0.000 0.243 188 A C 0.281 177.948 177.584 0.139 0.000 1.063 188 A CA -0.106 52.010 52.037 0.131 0.000 0.757 188 A CB -0.085 19.010 19.000 0.159 0.000 0.991 188 A HN 0.554 nan 8.150 nan 0.000 0.503 189 K N 2.019 122.468 120.400 0.082 0.000 2.412 189 K HA 0.313 4.634 4.320 0.002 0.000 0.284 189 K C -0.749 175.987 176.600 0.226 0.000 1.046 189 K CA 0.688 56.987 56.287 0.020 0.000 0.999 189 K CB 0.334 32.630 32.500 -0.340 0.000 0.941 189 K HN 0.592 nan 8.250 nan 0.000 0.474 190 I N 2.265 123.019 120.570 0.307 0.000 2.474 190 I HA 0.384 4.555 4.170 0.002 0.000 0.294 190 I C -0.401 176.000 176.117 0.473 0.000 1.005 190 I CA -0.791 60.724 61.300 0.358 0.000 1.113 190 I CB 2.008 40.096 38.000 0.148 0.000 1.289 190 I HN 0.592 nan 8.210 nan 0.000 0.436 191 A N 6.995 130.085 122.820 0.450 0.000 2.365 191 A HA 0.923 5.244 4.320 0.002 0.000 0.318 191 A C -1.237 176.512 177.584 0.275 0.000 1.091 191 A CA -0.424 51.824 52.037 0.351 0.000 0.763 191 A CB 1.193 20.241 19.000 0.081 0.000 1.248 191 A HN 0.559 nan 8.150 nan 0.000 0.442 192 L N 2.231 123.618 121.223 0.274 0.000 2.386 192 L HA 0.522 4.863 4.340 0.002 0.000 0.271 192 L C -0.869 176.159 176.870 0.264 0.000 0.993 192 L CA -0.350 54.656 54.840 0.277 0.000 0.819 192 L CB 1.938 44.147 42.059 0.250 0.000 1.294 192 L HN 0.470 nan 8.230 nan 0.000 0.414 193 L N 2.841 124.182 121.223 0.197 0.000 2.287 193 L HA 0.795 5.136 4.340 0.002 0.000 0.287 193 L C 0.444 177.384 176.870 0.116 0.000 1.022 193 L CA -0.218 54.708 54.840 0.143 0.000 0.814 193 L CB 0.536 42.622 42.059 0.044 0.000 1.217 193 L HN 0.770 nan 8.230 nan 0.000 0.420 194 G N 2.998 111.867 108.800 0.115 0.000 3.338 194 G HA2 0.092 4.052 3.960 0.002 0.000 0.686 194 G HA3 0.092 4.052 3.960 0.002 0.000 0.686 194 G C -0.112 174.850 174.900 0.104 0.000 1.053 194 G CA -0.347 44.807 45.100 0.091 0.000 0.852 194 G HN 0.970 nan 8.290 nan 0.000 0.545 195 A N 1.894 124.761 122.820 0.078 0.000 3.258 195 A HA 0.768 5.089 4.320 0.002 0.000 0.275 195 A C 1.265 178.904 177.584 0.092 0.000 1.452 195 A CA 1.079 53.162 52.037 0.076 0.000 1.120 195 A CB -0.263 18.769 19.000 0.052 0.000 1.107 195 A HN 2.090 nan 8.150 nan 0.000 0.651 196 G N -0.352 108.511 108.800 0.104 0.000 2.753 196 G HA2 0.514 4.475 3.960 0.002 0.000 0.285 196 G HA3 0.514 4.475 3.960 0.002 0.000 0.285 196 G C -1.655 173.300 174.900 0.092 0.000 1.344 196 G CA -1.494 43.667 45.100 0.102 0.000 1.050 196 G HN 0.087 nan 8.290 nan 0.000 0.532 197 P HA -0.187 nan 4.420 nan 0.000 0.216 197 P C 2.129 179.476 177.300 0.080 0.000 1.157 197 P CA 2.553 65.689 63.100 0.061 0.000 0.880 197 P CB 0.139 31.869 31.700 0.050 0.000 0.791 198 A N -0.923 121.976 122.820 0.132 0.000 1.865 198 A HA -0.201 4.119 4.320 0.002 0.000 0.217 198 A C 2.392 180.058 177.584 0.137 0.000 1.191 198 A CA 2.453 54.610 52.037 0.200 0.000 0.623 198 A CB -1.543 17.672 19.000 0.360 0.000 0.826 198 A HN 0.141 nan 8.150 nan 0.000 0.444 199 S N -0.348 115.493 115.700 0.234 0.000 2.383 199 S HA -0.049 4.422 4.470 0.002 0.000 0.227 199 S C 1.794 176.396 174.600 0.004 0.000 1.026 199 S CA 1.285 59.565 58.200 0.133 0.000 0.981 199 S CB -0.476 62.870 63.200 0.244 0.000 0.818 199 S HN 0.510 nan 8.310 nan 0.000 0.472 200 I N 0.984 121.572 120.570 0.030 0.000 2.226 200 I HA -0.180 3.991 4.170 0.002 0.000 0.245 200 I C 2.665 178.769 176.117 -0.021 0.000 1.100 200 I CA 1.087 62.388 61.300 0.001 0.000 1.374 200 I CB -0.365 37.639 38.000 0.007 0.000 1.057 200 I HN 0.290 nan 8.210 nan 0.000 0.413 201 S N -0.172 115.527 115.700 -0.002 0.000 2.345 201 S HA -0.247 4.223 4.470 0.002 0.000 0.220 201 S C 2.326 176.983 174.600 0.095 0.000 1.031 201 S CA 1.665 59.900 58.200 0.058 0.000 0.996 201 S CB -0.573 62.694 63.200 0.111 0.000 0.882 201 S HN 0.620 nan 8.310 nan 0.000 0.445 202 C N 1.660 120.896 119.300 -0.106 0.000 2.413 202 C HA 0.021 4.482 4.460 0.002 0.000 0.277 202 C C 3.014 177.945 174.990 -0.099 0.000 1.228 202 C CA 1.312 60.188 59.018 -0.237 0.000 1.731 202 C CB -1.775 25.446 27.740 -0.866 0.000 2.042 202 C HN 0.683 nan 8.230 nan 0.000 0.468 203 A N -0.193 122.568 122.820 -0.099 0.000 1.940 203 A HA -0.126 4.195 4.320 0.002 0.000 0.219 203 A C 2.355 179.932 177.584 -0.012 0.000 1.176 203 A CA 2.417 54.431 52.037 -0.037 0.000 0.631 203 A CB -0.982 18.003 19.000 -0.023 0.000 0.814 203 A HN 0.664 nan 8.150 nan 0.000 0.446 204 S N -0.804 114.869 115.700 -0.045 0.000 2.348 204 S HA -0.125 4.346 4.470 0.002 0.000 0.221 204 S C 1.626 176.148 174.600 -0.130 0.000 1.033 204 S CA 1.612 59.742 58.200 -0.118 0.000 1.010 204 S CB -0.570 62.491 63.200 -0.232 0.000 0.891 204 S HN 0.575 nan 8.310 nan 0.000 0.442 205 F N 1.460 121.417 119.950 0.012 0.000 2.186 205 F HA 0.002 4.530 4.527 0.002 0.000 0.299 205 F C 2.040 177.871 175.800 0.053 0.000 1.090 205 F CA 0.719 58.740 58.000 0.035 0.000 1.307 205 F CB -0.421 38.589 39.000 0.017 0.000 1.019 205 F HN 0.114 nan 8.300 nan 0.000 0.489 206 L N -0.576 120.761 121.223 0.190 0.000 2.083 206 L HA -0.213 4.128 4.340 0.002 0.000 0.209 206 L C 2.714 179.746 176.870 0.271 0.000 1.083 206 L CA 1.078 56.028 54.840 0.184 0.000 0.752 206 L CB -0.929 41.139 42.059 0.015 0.000 0.899 206 L HN 0.141 nan 8.230 nan 0.000 0.433 207 A N 0.066 122.977 122.820 0.151 0.000 1.930 207 A HA -0.188 4.133 4.320 0.002 0.000 0.217 207 A C 2.366 179.998 177.584 0.080 0.000 1.175 207 A CA 1.285 53.390 52.037 0.113 0.000 0.627 207 A CB -0.432 18.595 19.000 0.044 0.000 0.815 207 A HN 0.314 nan 8.150 nan 0.000 0.443 208 R N -0.572 119.972 120.500 0.073 0.000 2.105 208 R HA -0.054 4.287 4.340 0.002 0.000 0.239 208 R C 1.795 178.132 176.300 0.062 0.000 1.135 208 R CA 1.400 57.538 56.100 0.063 0.000 0.967 208 R CB -0.515 29.846 30.300 0.101 0.000 0.861 208 R HN 0.497 nan 8.270 nan 0.000 0.442 209 L N -0.751 120.538 121.223 0.111 0.000 2.465 209 L HA -0.001 4.340 4.340 0.002 0.000 0.224 209 L C 1.377 178.204 176.870 -0.071 0.000 1.145 209 L CA 0.950 55.818 54.840 0.048 0.000 0.834 209 L CB 0.020 42.120 42.059 0.068 0.000 0.944 209 L HN 0.568 nan 8.230 nan 0.000 0.451 210 G N -2.259 106.510 108.800 -0.051 0.000 2.192 210 G HA2 -0.252 3.709 3.960 0.002 0.000 0.193 210 G HA3 -0.252 3.709 3.960 0.002 0.000 0.193 210 G C -0.043 174.802 174.900 -0.092 0.000 0.999 210 G CA -0.701 44.276 45.100 -0.205 0.000 0.659 210 G HN 0.155 nan 8.290 nan 0.000 0.503 211 Y N 2.070 122.486 120.300 0.193 0.000 2.544 211 Y HA 0.330 4.881 4.550 0.001 0.000 0.330 211 Y C 1.836 177.784 175.900 0.080 0.000 1.136 211 Y CA 0.912 59.112 58.100 0.168 0.000 1.417 211 Y CB 1.229 39.760 38.460 0.119 0.000 1.229 211 Y HN 0.260 nan 8.280 nan 0.000 0.532 212 S N -0.509 115.294 115.700 0.172 0.000 2.540 212 S HA 0.081 4.552 4.470 0.002 0.000 0.218 212 S C 0.015 174.671 174.600 0.094 0.000 0.977 212 S CA -0.201 58.056 58.200 0.095 0.000 0.918 212 S CB 0.243 63.469 63.200 0.043 0.000 0.806 212 S HN 0.654 nan 8.310 nan 0.000 0.496 213 D N 1.426 121.905 120.400 0.132 0.000 2.443 213 D HA 0.422 5.063 4.640 0.002 0.000 0.281 213 D C -1.173 175.206 176.300 0.131 0.000 1.210 213 D CA -0.291 53.772 54.000 0.105 0.000 0.875 213 D CB 0.232 41.082 40.800 0.084 0.000 1.125 213 D HN 0.350 nan 8.370 nan 0.000 0.503 214 I N 1.281 121.915 120.570 0.108 0.000 2.406 214 I HA 0.349 4.520 4.170 0.002 0.000 0.290 214 I C -0.096 176.051 176.117 0.049 0.000 0.999 214 I CA -0.445 60.916 61.300 0.101 0.000 1.124 214 I CB 2.254 40.301 38.000 0.078 0.000 1.289 214 I HN -0.060 nan 8.210 nan 0.000 0.441 215 T N 6.694 121.276 114.554 0.045 0.000 2.879 215 T HA 0.576 4.926 4.350 0.002 0.000 0.290 215 T C -0.277 174.259 174.700 -0.273 0.000 0.993 215 T CA -0.385 61.617 62.100 -0.164 0.000 0.975 215 T CB 1.544 70.250 68.868 -0.270 0.000 0.981 215 T HN 0.263 nan 8.240 nan 0.000 0.439 216 I N 3.331 123.720 120.570 -0.302 0.000 2.321 216 I HA 0.403 4.573 4.170 0.002 0.000 0.291 216 I C -0.839 175.079 176.117 -0.332 0.000 0.998 216 I CA -0.716 60.477 61.300 -0.178 0.000 1.227 216 I CB 0.877 38.846 38.000 -0.052 0.000 1.368 216 I HN 0.542 nan 8.210 nan 0.000 0.466 217 F N 4.624 124.591 119.950 0.030 0.000 2.385 217 F HA 0.332 4.860 4.527 0.001 0.000 0.360 217 F C 0.439 176.240 175.800 0.001 0.000 1.122 217 F CA -0.630 57.376 58.000 0.009 0.000 1.090 217 F CB 1.009 40.002 39.000 -0.013 0.000 1.150 217 F HN 0.397 nan 8.300 nan 0.000 0.472 218 E N 3.448 123.715 120.200 0.112 0.000 2.166 218 E HA 0.227 4.578 4.350 0.002 0.000 0.275 218 E C 0.725 177.330 176.600 0.009 0.000 0.941 218 E CA -0.584 55.841 56.400 0.040 0.000 0.784 218 E CB 1.528 31.222 29.700 -0.010 0.000 1.115 218 E HN 0.539 nan 8.360 nan 0.000 0.399 219 K N 3.081 123.469 120.400 -0.019 0.000 2.026 219 K HA -0.093 4.228 4.320 0.002 0.000 0.208 219 K C 0.415 176.949 176.600 -0.110 0.000 1.048 219 K CA 1.040 57.302 56.287 -0.042 0.000 0.929 219 K CB 0.126 32.605 32.500 -0.036 0.000 0.713 219 K HN 0.541 nan 8.250 nan 0.000 0.439 220 Q N 0.564 120.221 119.800 -0.238 0.000 2.414 220 Q HA 0.013 4.354 4.340 0.002 0.000 0.206 220 Q C 0.983 176.781 176.000 -0.337 0.000 1.058 220 Q CA 0.244 55.795 55.803 -0.420 0.000 1.025 220 Q CB 0.645 28.749 28.738 -1.058 0.000 1.196 220 Q HN 0.266 nan 8.270 nan 0.000 0.586 221 E N 0.299 120.311 120.200 -0.314 0.000 2.442 221 E HA -0.004 4.347 4.350 0.002 0.000 0.195 221 E C 0.106 176.670 176.600 -0.060 0.000 1.030 221 E CA 0.304 56.633 56.400 -0.118 0.000 0.869 221 E CB 0.149 29.834 29.700 -0.025 0.000 0.857 221 E HN 0.459 nan 8.360 nan 0.000 0.505 222 Y N -0.466 119.834 120.300 0.001 0.000 2.567 222 Y HA 0.557 5.108 4.550 0.002 0.000 0.333 222 Y C 0.086 176.012 175.900 0.043 0.000 1.106 222 Y CA -1.923 56.182 58.100 0.009 0.000 1.157 222 Y CB 0.610 39.048 38.460 -0.037 0.000 1.277 222 Y HN -0.258 nan 8.280 nan 0.000 0.490 223 V N -1.857 118.252 119.914 0.324 0.000 3.046 223 V HA 0.964 5.085 4.120 0.002 0.000 0.316 223 V C 0.446 176.713 176.094 0.288 0.000 1.104 223 V CA -0.435 62.003 62.300 0.230 0.000 1.006 223 V CB 0.956 32.859 31.823 0.133 0.000 1.058 223 V HN 1.739 nan 8.190 nan 0.000 0.440 224 G N -0.357 108.560 108.800 0.195 0.000 2.231 224 G HA2 0.294 4.255 3.960 0.002 0.000 0.206 224 G HA3 0.294 4.255 3.960 0.002 0.000 0.206 224 G C 1.482 176.474 174.900 0.153 0.000 0.996 224 G CA 0.499 45.694 45.100 0.158 0.000 0.645 224 G HN 2.837 nan 8.290 nan 0.000 0.498 225 G N 0.063 108.984 108.800 0.201 0.000 2.564 225 G HA2 -0.230 3.731 3.960 0.002 0.000 0.273 225 G HA3 -0.230 3.731 3.960 0.002 0.000 0.273 225 G C 1.124 176.113 174.900 0.149 0.000 1.242 225 G CA 0.539 45.744 45.100 0.174 0.000 0.951 225 G HN 1.190 nan 8.290 nan 0.000 0.564 226 L N 0.732 122.014 121.223 0.098 0.000 2.191 226 L HA -0.085 4.256 4.340 0.002 0.000 0.212 226 L C 3.160 180.048 176.870 0.029 0.000 1.103 226 L CA 1.848 56.723 54.840 0.057 0.000 0.769 226 L CB -0.550 41.539 42.059 0.049 0.000 0.908 226 L HN 0.543 nan 8.230 nan 0.000 0.438 227 S N -1.002 114.724 115.700 0.043 0.000 2.419 227 S HA -0.162 4.309 4.470 0.002 0.000 0.235 227 S C 1.930 176.549 174.600 0.031 0.000 1.019 227 S CA 1.793 60.011 58.200 0.029 0.000 0.982 227 S CB -0.168 63.055 63.200 0.037 0.000 0.789 227 S HN 0.483 nan 8.310 nan 0.000 0.490 228 T N 1.278 115.859 114.554 0.045 0.000 2.988 228 T HA 0.021 4.372 4.350 0.002 0.000 0.240 228 T C 2.313 176.895 174.700 -0.196 0.000 1.014 228 T CA 1.046 63.152 62.100 0.011 0.000 1.155 228 T CB -0.278 68.645 68.868 0.093 0.000 0.872 228 T HN 0.579 nan 8.240 nan 0.000 0.440 229 S N 1.221 116.790 115.700 -0.217 0.000 2.453 229 S HA 0.066 4.537 4.470 0.002 0.000 0.231 229 S C 1.583 176.077 174.600 -0.176 0.000 1.005 229 S CA 0.836 58.859 58.200 -0.296 0.000 0.949 229 S CB -0.108 63.013 63.200 -0.133 0.000 0.774 229 S HN 0.541 nan 8.310 nan 0.000 0.510 230 E N -0.123 120.012 120.200 -0.107 0.000 2.571 230 E HA 0.357 4.708 4.350 0.002 0.000 0.204 230 E C -0.163 176.375 176.600 -0.103 0.000 0.851 230 E CA -0.260 56.084 56.400 -0.094 0.000 1.358 230 E CB 0.344 30.024 29.700 -0.033 0.000 1.327 230 E HN 0.400 nan 8.360 nan 0.000 0.665 231 I N 4.792 125.313 120.570 -0.081 0.000 2.668 231 I HA 0.011 4.182 4.170 0.002 0.000 0.285 231 I C -2.263 173.742 176.117 -0.187 0.000 1.168 231 I CA -1.589 59.652 61.300 -0.098 0.000 1.424 231 I CB 0.023 37.990 38.000 -0.056 0.000 1.377 231 I HN -0.192 nan 8.210 nan 0.000 0.560 232 P HA -0.072 nan 4.420 nan 0.000 0.266 232 P C 0.215 177.233 177.300 -0.471 0.000 1.195 232 P CA -0.042 62.695 63.100 -0.605 0.000 0.768 232 P CB 0.562 31.406 31.700 -1.427 0.000 0.838 233 Q N 3.144 122.762 119.800 -0.303 0.000 2.226 233 Q HA -0.168 4.173 4.340 0.002 0.000 0.204 233 Q C 1.204 177.234 176.000 0.051 0.000 0.975 233 Q CA 1.888 57.645 55.803 -0.077 0.000 0.866 233 Q CB -0.889 27.819 28.738 -0.049 0.000 0.915 233 Q HN 0.578 nan 8.270 nan 0.000 0.440 234 F N -1.988 118.095 119.950 0.223 0.000 2.802 234 F HA 0.298 4.826 4.527 0.002 0.000 0.300 234 F C 1.482 177.341 175.800 0.098 0.000 1.168 234 F CA 0.145 58.236 58.000 0.152 0.000 1.433 234 F CB -0.066 38.995 39.000 0.101 0.000 1.115 234 F HN -0.033 nan 8.300 nan 0.000 0.582 235 R N -0.229 120.310 120.500 0.064 0.000 2.243 235 R HA 0.353 4.694 4.340 0.002 0.000 0.193 235 R C -0.577 175.746 176.300 0.039 0.000 0.933 235 R CA -0.063 56.088 56.100 0.086 0.000 1.105 235 R CB 0.355 30.674 30.300 0.033 0.000 1.169 235 R HN 0.227 nan 8.270 nan 0.000 0.599 236 L N 2.567 123.784 121.223 -0.010 0.000 2.427 236 L HA 0.479 4.820 4.340 0.002 0.000 0.264 236 L C -2.887 173.991 176.870 0.013 0.000 0.989 236 L CA -2.189 52.654 54.840 0.005 0.000 0.865 236 L CB 1.735 43.789 42.059 -0.008 0.000 1.209 236 L HN -0.188 nan 8.230 nan 0.000 0.430 237 P HA 0.023 nan 4.420 nan 0.000 0.268 237 P C -0.063 177.267 177.300 0.051 0.000 1.204 237 P CA 0.146 63.276 63.100 0.049 0.000 0.768 237 P CB 0.309 32.036 31.700 0.044 0.000 0.842 238 Y N 4.616 124.893 120.300 -0.038 0.000 2.256 238 Y HA -0.279 4.272 4.550 0.002 0.000 0.288 238 Y C 1.877 177.777 175.900 0.001 0.000 1.155 238 Y CA 2.151 60.229 58.100 -0.037 0.000 1.203 238 Y CB -0.503 37.915 38.460 -0.071 0.000 0.980 238 Y HN 0.418 nan 8.280 nan 0.000 0.530 239 D N -1.011 119.332 120.400 -0.096 0.000 2.265 239 D HA -0.160 4.481 4.640 0.002 0.000 0.208 239 D C 2.026 178.255 176.300 -0.118 0.000 0.977 239 D CA 1.391 55.309 54.000 -0.136 0.000 0.871 239 D CB -0.791 39.991 40.800 -0.031 0.000 0.925 239 D HN 0.367 nan 8.370 nan 0.000 0.485 240 V N 0.763 120.632 119.914 -0.074 0.000 2.307 240 V HA -0.210 3.911 4.120 0.002 0.000 0.245 240 V C 2.935 179.046 176.094 0.029 0.000 1.045 240 V CA 1.181 63.504 62.300 0.039 0.000 1.024 240 V CB -0.263 31.585 31.823 0.041 0.000 0.651 240 V HN 0.115 nan 8.190 nan 0.000 0.449 241 V N 0.790 120.616 119.914 -0.146 0.000 2.295 241 V HA -0.301 3.820 4.120 0.002 0.000 0.246 241 V C 2.367 178.324 176.094 -0.227 0.000 1.049 241 V CA 2.441 64.633 62.300 -0.180 0.000 1.024 241 V CB -0.960 30.725 31.823 -0.229 0.000 0.648 241 V HN 0.693 nan 8.190 nan 0.000 0.447 242 N N -0.139 118.308 118.700 -0.422 0.000 2.104 242 N HA -0.234 4.507 4.740 0.002 0.000 0.190 242 N C 2.035 177.501 175.510 -0.074 0.000 1.024 242 N CA 1.894 54.782 53.050 -0.270 0.000 0.853 242 N CB -0.169 38.129 38.487 -0.316 0.000 1.008 242 N HN 0.485 nan 8.380 nan 0.000 0.424 243 F N 2.121 121.976 119.950 -0.158 0.000 2.095 243 F HA -0.100 4.428 4.527 0.002 0.000 0.298 243 F C 2.106 177.879 175.800 -0.046 0.000 1.104 243 F CA 1.555 59.493 58.000 -0.103 0.000 1.232 243 F CB -0.535 38.407 39.000 -0.096 0.000 0.987 243 F HN 0.072 nan 8.300 nan 0.000 0.475 244 E N 0.446 120.435 120.200 -0.351 0.000 2.150 244 E HA -0.160 4.191 4.350 0.002 0.000 0.193 244 E C 2.392 178.862 176.600 -0.217 0.000 0.985 244 E CA 1.524 57.702 56.400 -0.369 0.000 0.814 244 E CB -0.241 29.401 29.700 -0.096 0.000 0.752 244 E HN 0.506 nan 8.360 nan 0.000 0.466 245 I N 1.267 121.753 120.570 -0.140 0.000 2.353 245 I HA -0.197 3.974 4.170 0.002 0.000 0.248 245 I C 2.224 178.287 176.117 -0.090 0.000 1.119 245 I CA 0.790 62.039 61.300 -0.085 0.000 1.417 245 I CB -0.090 37.883 38.000 -0.046 0.000 1.078 245 I HN 0.015 nan 8.210 nan 0.000 0.421 246 E N 0.807 120.943 120.200 -0.108 0.000 2.150 246 E HA -0.139 4.212 4.350 0.002 0.000 0.193 246 E C 2.346 178.883 176.600 -0.105 0.000 0.985 246 E CA 0.967 57.316 56.400 -0.084 0.000 0.814 246 E CB -0.208 29.457 29.700 -0.059 0.000 0.752 246 E HN 0.501 nan 8.360 nan 0.000 0.466 247 L N 0.328 121.441 121.223 -0.183 0.000 2.046 247 L HA -0.132 4.209 4.340 0.002 0.000 0.208 247 L C 2.689 179.526 176.870 -0.055 0.000 1.077 247 L CA 1.090 55.851 54.840 -0.132 0.000 0.747 247 L CB -0.351 41.580 42.059 -0.213 0.000 0.896 247 L HN 0.185 nan 8.230 nan 0.000 0.432 248 M N -0.092 119.469 119.600 -0.065 0.000 2.117 248 M HA -0.234 4.247 4.480 0.002 0.000 0.262 248 M C 2.144 178.421 176.300 -0.038 0.000 1.065 248 M CA 1.777 57.052 55.300 -0.043 0.000 1.114 248 M CB -0.048 32.523 32.600 -0.047 0.000 1.361 248 M HN 0.063 nan 8.290 nan 0.000 0.408 249 K N 0.121 120.497 120.400 -0.041 0.000 2.280 249 K HA -0.144 4.177 4.320 0.002 0.000 0.202 249 K C 1.245 177.826 176.600 -0.031 0.000 1.047 249 K CA 1.181 57.449 56.287 -0.032 0.000 0.942 249 K CB -0.199 32.283 32.500 -0.030 0.000 0.739 249 K HN 0.421 nan 8.250 nan 0.000 0.457 250 D N 0.927 121.304 120.400 -0.038 0.000 2.263 250 D HA -0.118 4.523 4.640 0.002 0.000 0.208 250 D C 1.360 177.637 176.300 -0.039 0.000 0.971 250 D CA 0.948 54.925 54.000 -0.039 0.000 0.867 250 D CB 0.102 40.875 40.800 -0.046 0.000 0.929 250 D HN 0.209 nan 8.370 nan 0.000 0.492 251 L N -0.846 120.356 121.223 -0.035 0.000 2.611 251 L HA 0.208 4.549 4.340 0.002 0.000 0.229 251 L C 1.527 178.388 176.870 -0.015 0.000 1.137 251 L CA 0.276 55.098 54.840 -0.031 0.000 0.901 251 L CB 0.107 42.149 42.059 -0.028 0.000 1.098 251 L HN 0.091 nan 8.230 nan 0.000 0.456 252 G N -0.261 108.530 108.800 -0.014 0.000 2.175 252 G HA2 -0.254 3.707 3.960 0.002 0.000 0.244 252 G HA3 -0.254 3.707 3.960 0.002 0.000 0.244 252 G C 0.342 175.242 174.900 0.001 0.000 0.982 252 G CA -0.022 45.075 45.100 -0.005 0.000 0.641 252 G HN 0.080 nan 8.290 nan 0.000 0.527 253 V N 1.533 121.445 119.914 -0.003 0.000 2.599 253 V HA 0.288 4.409 4.120 0.002 0.000 0.300 253 V C 0.860 176.942 176.094 -0.021 0.000 1.034 253 V CA 0.648 62.945 62.300 -0.006 0.000 1.115 253 V CB 1.041 32.857 31.823 -0.011 0.000 0.934 253 V HN 0.384 nan 8.190 nan 0.000 0.485 254 K N 5.401 125.780 120.400 -0.034 0.000 2.123 254 K HA 0.717 5.038 4.320 0.002 0.000 0.259 254 K C -0.878 175.660 176.600 -0.104 0.000 0.960 254 K CA -0.511 55.741 56.287 -0.057 0.000 0.872 254 K CB 1.899 34.366 32.500 -0.056 0.000 1.079 254 K HN 0.500 nan 8.250 nan 0.000 0.440 255 I N 3.694 124.209 120.570 -0.092 0.000 2.466 255 I HA 0.373 4.544 4.170 0.002 0.000 0.289 255 I C -0.691 175.364 176.117 -0.103 0.000 1.026 255 I CA -0.716 60.519 61.300 -0.109 0.000 1.078 255 I CB 1.556 39.527 38.000 -0.049 0.000 1.249 255 I HN 0.402 nan 8.210 nan 0.000 0.429 256 I N 5.329 125.809 120.570 -0.151 0.000 2.411 256 I HA 0.351 4.522 4.170 0.002 0.000 0.284 256 I C -0.243 175.879 176.117 0.008 0.000 1.012 256 I CA -0.387 60.878 61.300 -0.060 0.000 1.119 256 I CB 1.499 39.471 38.000 -0.047 0.000 1.261 256 I HN 0.562 nan 8.210 nan 0.000 0.448 257 C N 3.506 122.813 119.300 0.013 0.000 2.422 257 C HA 0.619 5.080 4.460 0.002 0.000 0.364 257 C C 1.541 176.546 174.990 0.024 0.000 1.251 257 C CA 0.512 59.533 59.018 0.006 0.000 2.441 257 C CB 0.742 28.471 27.740 -0.020 0.000 2.393 257 C HN 1.102 nan 8.230 nan 0.000 0.606 258 G N 1.323 110.123 108.800 0.000 0.000 2.143 258 G HA2 -0.169 3.792 3.960 0.002 0.000 0.248 258 G HA3 -0.169 3.792 3.960 0.002 0.000 0.248 258 G C -0.332 174.591 174.900 0.038 0.000 0.991 258 G CA 0.024 45.129 45.100 0.009 0.000 0.689 258 G HN 0.605 nan 8.290 nan 0.000 0.522 259 K N 0.771 121.213 120.400 0.070 0.000 2.413 259 K HA 0.642 4.963 4.320 0.002 0.000 0.257 259 K C -0.465 176.171 176.600 0.060 0.000 0.946 259 K CA -0.401 55.942 56.287 0.094 0.000 0.823 259 K CB 1.843 34.489 32.500 0.242 0.000 1.109 259 K HN 0.127 nan 8.250 nan 0.000 0.427 260 S N 1.900 117.607 115.700 0.011 0.000 2.501 260 S HA 0.380 4.851 4.470 0.002 0.000 0.301 260 S C -0.575 174.006 174.600 -0.032 0.000 1.096 260 S CA -0.800 57.399 58.200 -0.002 0.000 1.063 260 S CB 1.364 64.561 63.200 -0.005 0.000 1.042 260 S HN 0.472 nan 8.310 nan 0.000 0.494 261 L N 3.443 124.651 121.223 -0.026 0.000 2.342 261 L HA 0.655 4.995 4.340 0.002 0.000 0.285 261 L C -0.176 176.679 176.870 -0.025 0.000 1.095 261 L CA 0.810 55.624 54.840 -0.043 0.000 0.843 261 L CB -0.062 41.976 42.059 -0.034 0.000 1.201 261 L HN 0.599 nan 8.230 nan 0.000 0.445 262 S N 2.839 118.521 115.700 -0.029 0.000 2.558 262 S HA 0.342 4.813 4.470 0.002 0.000 0.277 262 S C -1.192 173.397 174.600 -0.018 0.000 1.143 262 S CA -0.791 57.400 58.200 -0.016 0.000 0.865 262 S CB 1.076 64.270 63.200 -0.011 0.000 1.102 262 S HN 0.667 nan 8.310 nan 0.000 0.454 263 E N 2.468 122.660 120.200 -0.012 0.000 2.465 263 E HA 0.258 4.609 4.350 0.002 0.000 0.260 263 E C 0.523 177.117 176.600 -0.011 0.000 0.980 263 E CA 1.280 57.673 56.400 -0.011 0.000 0.927 263 E CB -0.017 29.677 29.700 -0.011 0.000 0.934 263 E HN 0.604 nan 8.360 nan 0.000 0.459 264 N N 2.356 121.049 118.700 -0.011 0.000 2.984 264 N HA -0.169 4.572 4.740 0.002 0.000 0.227 264 N C -0.244 175.258 175.510 -0.014 0.000 0.903 264 N CA 1.440 54.484 53.050 -0.009 0.000 0.995 264 N CB -0.739 37.744 38.487 -0.006 0.000 1.065 264 N HN 0.640 nan 8.380 nan 0.000 0.585 265 E N 0.056 120.242 120.200 -0.023 0.000 4.498 265 E HA 0.462 4.813 4.350 0.002 0.000 0.200 265 E C -0.072 176.491 176.600 -0.061 0.000 1.108 265 E CA -0.693 55.686 56.400 -0.035 0.000 0.970 265 E CB 0.695 30.377 29.700 -0.030 0.000 2.109 265 E HN -0.017 nan 8.360 nan 0.000 0.453 266 I N 2.363 122.877 120.570 -0.093 0.000 2.342 266 I HA 0.201 4.372 4.170 0.002 0.000 0.291 266 I C 0.054 176.110 176.117 -0.101 0.000 1.010 266 I CA -0.099 61.111 61.300 -0.149 0.000 1.308 266 I CB 1.142 38.977 38.000 -0.277 0.000 1.400 266 I HN 0.421 nan 8.210 nan 0.000 0.488 267 T N 2.722 117.231 114.554 -0.075 0.000 2.901 267 T HA 0.475 4.826 4.350 0.002 0.000 0.293 267 T C 0.880 175.589 174.700 0.014 0.000 1.084 267 T CA -0.891 61.193 62.100 -0.026 0.000 1.008 267 T CB 1.451 70.320 68.868 0.001 0.000 1.170 267 T HN 0.408 nan 8.240 nan 0.000 0.509 268 L N 0.832 122.087 121.223 0.054 0.000 2.131 268 L HA -0.092 4.249 4.340 0.002 0.000 0.210 268 L C 2.526 179.582 176.870 0.310 0.000 1.092 268 L CA 1.144 56.093 54.840 0.181 0.000 0.759 268 L CB -0.606 41.517 42.059 0.107 0.000 0.903 268 L HN 0.664 nan 8.230 nan 0.000 0.435 269 N N -0.368 118.436 118.700 0.172 0.000 2.142 269 N HA -0.142 4.599 4.740 0.002 0.000 0.186 269 N C 1.995 177.557 175.510 0.087 0.000 1.023 269 N CA 2.029 55.156 53.050 0.129 0.000 0.852 269 N CB -0.475 38.059 38.487 0.079 0.000 0.998 269 N HN 0.447 nan 8.380 nan 0.000 0.424 270 T N -0.507 114.083 114.554 0.060 0.000 2.821 270 T HA 0.020 4.371 4.350 0.002 0.000 0.267 270 T C 2.201 176.940 174.700 0.066 0.000 1.046 270 T CA 0.589 62.711 62.100 0.037 0.000 1.139 270 T CB -0.519 68.346 68.868 -0.006 0.000 0.871 270 T HN 0.063 nan 8.240 nan 0.000 0.454 271 L N 0.695 121.964 121.223 0.077 0.000 2.046 271 L HA -0.015 4.326 4.340 0.002 0.000 0.208 271 L C 3.070 180.084 176.870 0.240 0.000 1.077 271 L CA 1.672 56.587 54.840 0.126 0.000 0.747 271 L CB -0.528 41.582 42.059 0.084 0.000 0.896 271 L HN 0.290 nan 8.230 nan 0.000 0.432 272 K N 0.436 120.896 120.400 0.100 0.000 2.057 272 K HA -0.243 4.078 4.320 0.002 0.000 0.207 272 K C 2.018 178.583 176.600 -0.058 0.000 1.049 272 K CA 1.603 57.783 56.287 -0.178 0.000 0.931 272 K CB -0.012 32.304 32.500 -0.307 0.000 0.714 272 K HN 0.248 nan 8.250 nan 0.000 0.440 273 E N 0.468 120.673 120.200 0.007 0.000 2.118 273 E HA -0.184 4.167 4.350 0.002 0.000 0.195 273 E C 1.272 177.896 176.600 0.039 0.000 0.992 273 E CA 1.238 57.646 56.400 0.013 0.000 0.804 273 E CB 0.169 29.884 29.700 0.025 0.000 0.741 273 E HN 0.376 nan 8.360 nan 0.000 0.458 274 E N -1.374 118.891 120.200 0.108 0.000 2.511 274 E HA 0.006 4.357 4.350 0.002 0.000 0.196 274 E C 0.865 177.501 176.600 0.059 0.000 1.066 274 E CA 0.337 56.817 56.400 0.134 0.000 0.871 274 E CB 0.460 30.329 29.700 0.282 0.000 0.863 274 E HN 0.430 nan 8.360 nan 0.000 0.520 275 G N 0.709 109.532 108.800 0.039 0.000 2.159 275 G HA2 -0.274 3.687 3.960 0.002 0.000 0.227 275 G HA3 -0.274 3.687 3.960 0.002 0.000 0.227 275 G C -0.215 174.655 174.900 -0.050 0.000 0.986 275 G CA -0.383 44.692 45.100 -0.041 0.000 0.651 275 G HN 0.216 nan 8.290 nan 0.000 0.523 276 Y N 0.974 121.305 120.300 0.053 0.000 2.511 276 Y HA 0.382 4.933 4.550 0.001 0.000 0.332 276 Y C 1.776 177.743 175.900 0.111 0.000 1.177 276 Y CA 0.320 58.504 58.100 0.141 0.000 1.422 276 Y CB 0.812 39.419 38.460 0.244 0.000 1.271 276 Y HN -0.072 nan 8.280 nan 0.000 0.550 277 K N 1.938 122.530 120.400 0.318 0.000 2.323 277 K HA 0.381 4.702 4.320 0.002 0.000 0.197 277 K C 0.090 177.035 176.600 0.576 0.000 1.043 277 K CA 0.513 56.995 56.287 0.325 0.000 0.997 277 K CB 0.399 33.081 32.500 0.302 0.000 0.807 277 K HN 0.588 nan 8.250 nan 0.000 0.497 278 A N 0.331 123.525 122.820 0.623 0.000 2.594 278 A HA 0.751 5.072 4.320 0.002 0.000 0.295 278 A C -1.653 176.230 177.584 0.500 0.000 1.071 278 A CA -0.449 51.965 52.037 0.629 0.000 0.685 278 A CB 1.709 20.951 19.000 0.402 0.000 1.285 278 A HN 0.052 nan 8.150 nan 0.000 0.405 279 A N 0.524 123.522 122.820 0.296 0.000 2.422 279 A HA 0.782 5.103 4.320 0.002 0.000 0.302 279 A C -1.504 176.168 177.584 0.146 0.000 1.041 279 A CA -0.377 51.743 52.037 0.138 0.000 0.708 279 A CB 1.000 19.935 19.000 -0.108 0.000 1.257 279 A HN 1.767 nan 8.150 nan 0.000 0.414 280 F N 3.903 123.872 119.950 0.033 0.000 2.449 280 F HA 0.633 5.161 4.527 0.001 0.000 0.342 280 F C -0.859 174.947 175.800 0.010 0.000 1.127 280 F CA -1.186 56.837 58.000 0.038 0.000 0.975 280 F CB 1.078 40.099 39.000 0.036 0.000 1.146 280 F HN 0.376 nan 8.300 nan 0.000 0.444 281 I N 5.854 125.996 120.570 -0.713 0.000 2.301 281 I HA 0.312 4.482 4.170 0.002 0.000 0.292 281 I C 0.770 176.448 176.117 -0.732 0.000 1.046 281 I CA -0.314 60.669 61.300 -0.529 0.000 1.282 281 I CB 0.477 38.246 38.000 -0.385 0.000 1.409 281 I HN 0.869 nan 8.210 nan 0.000 0.484 282 G N 6.360 114.967 108.800 -0.322 0.000 4.864 282 G HA2 0.311 4.272 3.960 0.002 0.000 0.280 282 G HA3 0.311 4.272 3.960 0.002 0.000 0.280 282 G C 0.797 175.704 174.900 0.012 0.000 1.239 282 G CA -0.191 44.853 45.100 -0.093 0.000 0.951 282 G HN 0.701 nan 8.290 nan 0.000 0.583 283 I N -2.024 118.527 120.570 -0.032 0.000 3.564 283 I HA 0.414 4.585 4.170 0.002 0.000 0.294 283 I C 1.241 177.371 176.117 0.023 0.000 1.289 283 I CA 0.290 61.596 61.300 0.009 0.000 1.325 283 I CB -0.207 37.793 38.000 -0.000 0.000 1.039 283 I HN 0.302 nan 8.210 nan 0.000 0.474 284 G N 2.672 111.482 108.800 0.016 0.000 2.575 284 G HA2 -0.273 3.688 3.960 0.002 0.000 0.267 284 G HA3 -0.273 3.688 3.960 0.002 0.000 0.267 284 G C -0.365 174.555 174.900 0.034 0.000 1.264 284 G CA 0.169 45.287 45.100 0.031 0.000 0.935 284 G HN 0.372 nan 8.290 nan 0.000 0.568 285 L N 2.327 123.580 121.223 0.049 0.000 2.387 285 L HA 0.323 4.664 4.340 0.002 0.000 0.259 285 L C -1.003 175.907 176.870 0.067 0.000 1.050 285 L CA -1.491 53.385 54.840 0.060 0.000 0.922 285 L CB 1.913 44.011 42.059 0.065 0.000 1.280 285 L HN 0.485 nan 8.230 nan 0.000 0.449 286 P HA -0.105 nan 4.420 nan 0.000 0.222 286 P C 0.210 177.554 177.300 0.073 0.000 1.147 286 P CA 1.034 64.173 63.100 0.065 0.000 0.790 286 P CB 0.572 32.304 31.700 0.054 0.000 0.780 287 E N 0.701 120.948 120.200 0.078 0.000 2.221 287 E HA 0.379 4.729 4.350 0.002 0.000 0.268 287 E C -2.429 174.232 176.600 0.102 0.000 0.933 287 E CA -2.705 53.747 56.400 0.086 0.000 0.809 287 E CB 1.213 30.963 29.700 0.082 0.000 1.190 287 E HN 0.131 nan 8.360 nan 0.000 0.406 288 P HA 0.111 nan 4.420 nan 0.000 0.282 288 P C -0.987 176.415 177.300 0.170 0.000 1.249 288 P CA -0.488 62.695 63.100 0.139 0.000 0.806 288 P CB 0.794 32.577 31.700 0.139 0.000 0.984 289 K N 1.657 122.181 120.400 0.206 0.000 2.349 289 K HA 0.247 4.568 4.320 0.002 0.000 0.288 289 K C 0.250 177.044 176.600 0.324 0.000 1.058 289 K CA -0.070 56.355 56.287 0.229 0.000 0.953 289 K CB 0.122 32.773 32.500 0.251 0.000 0.997 289 K HN 0.520 nan 8.250 nan 0.000 0.477 290 T N 0.079 114.789 114.554 0.259 0.000 2.952 290 T HA 0.316 4.667 4.350 0.002 0.000 0.286 290 T C -0.610 174.232 174.700 0.237 0.000 1.024 290 T CA -1.034 61.260 62.100 0.323 0.000 1.029 290 T CB 1.725 70.742 68.868 0.248 0.000 1.094 290 T HN 0.439 nan 8.240 nan 0.000 0.515 291 D N -0.301 120.280 120.400 0.301 0.000 2.505 291 D HA 0.243 4.884 4.640 0.002 0.000 0.249 291 D C 0.386 176.646 176.300 -0.066 0.000 1.082 291 D CA -0.449 53.577 54.000 0.043 0.000 0.839 291 D CB 2.378 43.162 40.800 -0.027 0.000 1.317 291 D HN 0.650 nan 8.370 nan 0.000 0.497 292 D N 2.418 122.743 120.400 -0.124 0.000 2.158 292 D HA -0.194 4.447 4.640 0.002 0.000 0.197 292 D C 1.994 178.169 176.300 -0.209 0.000 0.995 292 D CA 1.437 55.360 54.000 -0.128 0.000 0.846 292 D CB -0.065 40.667 40.800 -0.113 0.000 0.941 292 D HN 0.672 nan 8.370 nan 0.000 0.456 293 I N -3.019 117.324 120.570 -0.380 0.000 2.700 293 I HA -0.122 4.049 4.170 0.002 0.000 0.261 293 I C 1.119 176.963 176.117 -0.456 0.000 1.219 293 I CA 1.000 62.022 61.300 -0.464 0.000 1.463 293 I CB -0.614 37.006 38.000 -0.634 0.000 1.092 293 I HN -0.088 nan 8.210 nan 0.000 0.452 294 F N 1.347 121.164 119.950 -0.223 0.000 2.727 294 F HA 0.222 4.750 4.527 0.002 0.000 0.302 294 F C 1.431 176.973 175.800 -0.429 0.000 1.097 294 F CA -0.657 57.045 58.000 -0.496 0.000 1.330 294 F CB -0.006 38.555 39.000 -0.731 0.000 1.084 294 F HN 0.142 nan 8.300 nan 0.000 0.578 295 Q N 1.018 120.761 119.800 -0.095 0.000 2.283 295 Q HA 0.198 4.539 4.340 0.002 0.000 0.301 295 Q C 1.301 177.255 176.000 -0.076 0.000 1.063 295 Q CA 1.168 56.933 55.803 -0.063 0.000 0.952 295 Q CB 0.628 29.334 28.738 -0.052 0.000 1.166 295 Q HN 0.574 nan 8.270 nan 0.000 0.381 296 G N 3.235 112.006 108.800 -0.047 0.000 2.253 296 G HA2 -0.286 3.675 3.960 0.002 0.000 0.251 296 G HA3 -0.286 3.675 3.960 0.002 0.000 0.251 296 G C 0.098 174.970 174.900 -0.046 0.000 0.998 296 G CA 0.196 45.273 45.100 -0.038 0.000 0.621 296 G HN 0.588 nan 8.290 nan 0.000 0.524 297 L N 2.297 123.455 121.223 -0.108 0.000 2.453 297 L HA 0.478 4.819 4.340 0.002 0.000 0.272 297 L C 1.371 178.264 176.870 0.038 0.000 1.182 297 L CA 0.596 55.379 54.840 -0.095 0.000 0.858 297 L CB 0.734 42.598 42.059 -0.325 0.000 1.120 297 L HN 0.481 nan 8.230 nan 0.000 0.474 298 T N -1.177 113.398 114.554 0.034 0.000 2.949 298 T HA 0.266 4.617 4.350 0.002 0.000 0.287 298 T C 0.581 175.239 174.700 -0.071 0.000 1.034 298 T CA -0.814 61.291 62.100 0.009 0.000 1.018 298 T CB 1.673 70.532 68.868 -0.015 0.000 1.135 298 T HN 0.590 nan 8.240 nan 0.000 0.532 299 Q N -0.080 119.597 119.800 -0.206 0.000 2.167 299 Q HA -0.109 4.231 4.340 0.002 0.000 0.202 299 Q C 1.564 177.413 176.000 -0.252 0.000 0.970 299 Q CA 1.501 57.009 55.803 -0.492 0.000 0.855 299 Q CB -0.074 28.345 28.738 -0.532 0.000 0.911 299 Q HN 0.668 nan 8.270 nan 0.000 0.438 300 D N 0.617 120.952 120.400 -0.109 0.000 2.178 300 D HA -0.158 4.483 4.640 0.002 0.000 0.201 300 D C 1.620 177.907 176.300 -0.021 0.000 0.980 300 D CA 1.122 55.099 54.000 -0.039 0.000 0.842 300 D CB 0.023 40.813 40.800 -0.017 0.000 0.948 300 D HN 0.373 nan 8.370 nan 0.000 0.472 301 Q N -0.694 119.090 119.800 -0.026 0.000 2.378 301 Q HA 0.108 4.449 4.340 0.002 0.000 0.205 301 Q C 1.170 177.179 176.000 0.015 0.000 0.954 301 Q CA 0.823 56.626 55.803 0.000 0.000 0.901 301 Q CB 0.566 29.308 28.738 0.006 0.000 0.981 301 Q HN 0.338 nan 8.270 nan 0.000 0.483 302 G N 0.412 109.204 108.800 -0.014 0.000 2.159 302 G HA2 -0.234 3.727 3.960 0.002 0.000 0.170 302 G HA3 -0.234 3.727 3.960 0.002 0.000 0.170 302 G C -0.528 174.400 174.900 0.047 0.000 1.007 302 G CA -0.477 44.645 45.100 0.038 0.000 0.672 302 G HN 0.275 nan 8.290 nan 0.000 0.507 303 F N 1.709 121.530 119.950 -0.214 0.000 2.420 303 F HA 0.812 5.340 4.527 0.001 0.000 0.342 303 F C -0.476 175.128 175.800 -0.327 0.000 1.113 303 F CA -1.395 56.483 58.000 -0.204 0.000 1.059 303 F CB 0.902 39.790 39.000 -0.187 0.000 1.128 303 F HN 0.051 nan 8.300 nan 0.000 0.475 304 Y N 1.696 121.293 120.300 -1.171 0.000 2.562 304 Y HA 0.481 5.032 4.550 0.002 0.000 0.345 304 Y C 0.058 175.339 175.900 -1.032 0.000 1.045 304 Y CA -1.122 56.495 58.100 -0.806 0.000 1.028 304 Y CB 1.966 40.193 38.460 -0.389 0.000 1.297 304 Y HN 0.654 nan 8.280 nan 0.000 0.463 305 T N -2.928 111.425 114.554 -0.335 0.000 2.944 305 T HA 0.312 4.663 4.350 0.002 0.000 0.284 305 T C 1.032 175.707 174.700 -0.042 0.000 1.010 305 T CA -0.128 61.853 62.100 -0.199 0.000 1.025 305 T CB 1.455 70.326 68.868 0.005 0.000 1.079 305 T HN 0.721 nan 8.240 nan 0.000 0.516 306 S N 0.735 116.423 115.700 -0.020 0.000 2.400 306 S HA -0.130 4.341 4.470 0.002 0.000 0.232 306 S C 1.699 176.347 174.600 0.080 0.000 1.025 306 S CA 0.439 58.672 58.200 0.055 0.000 0.993 306 S CB -0.550 62.673 63.200 0.038 0.000 0.808 306 S HN 0.667 nan 8.310 nan 0.000 0.478 307 K N 1.172 121.615 120.400 0.072 0.000 2.283 307 K HA -0.007 4.314 4.320 0.002 0.000 0.202 307 K C 1.176 177.827 176.600 0.084 0.000 1.048 307 K CA 1.120 57.452 56.287 0.076 0.000 0.948 307 K CB -0.266 32.284 32.500 0.084 0.000 0.742 307 K HN 0.577 nan 8.250 nan 0.000 0.458 308 D N -0.294 120.175 120.400 0.114 0.000 2.290 308 D HA -0.072 4.568 4.640 0.002 0.000 0.224 308 D C 1.761 178.181 176.300 0.200 0.000 0.967 308 D CA 0.470 54.565 54.000 0.158 0.000 0.893 308 D CB -0.289 40.627 40.800 0.194 0.000 1.037 308 D HN 0.024 nan 8.370 nan 0.000 0.477 309 F N 2.252 122.224 119.950 0.036 0.000 2.060 309 F HA -0.072 4.456 4.527 0.002 0.000 0.295 309 F C 2.273 178.015 175.800 -0.097 0.000 1.120 309 F CA 1.126 59.062 58.000 -0.107 0.000 1.205 309 F CB -0.594 38.233 39.000 -0.288 0.000 0.986 309 F HN -0.184 nan 8.300 nan 0.000 0.470 310 L N 0.139 121.226 121.223 -0.228 0.000 2.042 310 L HA -0.185 4.156 4.340 0.002 0.000 0.210 310 L C -0.508 176.187 176.870 -0.291 0.000 1.076 310 L CA 1.497 56.138 54.840 -0.332 0.000 0.749 310 L CB -2.090 39.897 42.059 -0.120 0.000 0.893 310 L HN 0.152 nan 8.230 nan 0.000 0.432 311 P HA -0.144 nan 4.420 nan 0.000 0.218 311 P C 1.907 179.088 177.300 -0.197 0.000 1.149 311 P CA 1.174 64.170 63.100 -0.173 0.000 0.817 311 P CB 0.120 31.779 31.700 -0.069 0.000 0.785 312 L N -1.270 119.840 121.223 -0.189 0.000 2.017 312 L HA -0.145 4.196 4.340 0.002 0.000 0.208 312 L C 2.260 178.990 176.870 -0.234 0.000 1.073 312 L CA 1.396 56.139 54.840 -0.163 0.000 0.745 312 L CB -1.034 40.968 42.059 -0.095 0.000 0.894 312 L HN -0.121 nan 8.230 nan 0.000 0.432 313 V N -0.140 119.551 119.914 -0.371 0.000 2.358 313 V HA -0.241 3.880 4.120 0.002 0.000 0.246 313 V C 2.720 178.638 176.094 -0.293 0.000 1.047 313 V CA 1.641 63.755 62.300 -0.311 0.000 1.035 313 V CB -0.942 30.648 31.823 -0.389 0.000 0.658 313 V HN 0.459 nan 8.190 nan 0.000 0.452 314 A N 0.183 122.819 122.820 -0.308 0.000 1.877 314 A HA -0.203 4.118 4.320 0.002 0.000 0.216 314 A C 2.284 179.661 177.584 -0.345 0.000 1.186 314 A CA 1.721 53.563 52.037 -0.324 0.000 0.620 314 A CB -0.432 18.379 19.000 -0.316 0.000 0.822 314 A HN 0.473 nan 8.150 nan 0.000 0.443 315 K N -0.129 120.087 120.400 -0.307 0.000 2.152 315 K HA -0.111 4.210 4.320 0.002 0.000 0.206 315 K C 2.222 178.672 176.600 -0.249 0.000 1.048 315 K CA 1.401 57.520 56.287 -0.279 0.000 0.933 315 K CB -0.354 32.026 32.500 -0.201 0.000 0.721 315 K HN 0.476 nan 8.250 nan 0.000 0.447 316 S N 0.905 116.464 115.700 -0.235 0.000 2.446 316 S HA -0.051 4.420 4.470 0.002 0.000 0.225 316 S C 1.873 176.296 174.600 -0.296 0.000 1.016 316 S CA 1.208 59.289 58.200 -0.200 0.000 0.943 316 S CB 0.072 63.189 63.200 -0.137 0.000 0.786 316 S HN 0.398 nan 8.310 nan 0.000 0.508 317 S N -0.243 115.173 115.700 -0.474 0.000 2.524 317 S HA 0.353 4.824 4.470 0.002 0.000 0.215 317 S C 0.258 174.583 174.600 -0.458 0.000 0.986 317 S CA -0.478 57.293 58.200 -0.714 0.000 0.911 317 S CB -0.052 62.176 63.200 -1.621 0.000 0.805 317 S HN 0.315 nan 8.310 nan 0.000 0.501 318 K N 2.588 122.771 120.400 -0.362 0.000 2.354 318 K HA 0.582 4.903 4.320 0.002 0.000 0.257 318 K C -0.686 175.739 176.600 -0.291 0.000 1.062 318 K CA -0.314 55.800 56.287 -0.289 0.000 0.971 318 K CB 1.341 33.632 32.500 -0.347 0.000 1.305 318 K HN 0.318 nan 8.250 nan 0.000 0.449 319 A N 1.690 124.413 122.820 -0.161 0.000 2.491 319 A HA 0.432 4.753 4.320 0.002 0.000 0.261 319 A C 1.276 178.796 177.584 -0.107 0.000 1.101 319 A CA 0.973 52.938 52.037 -0.120 0.000 0.772 319 A CB -0.323 18.665 19.000 -0.021 0.000 1.043 319 A HN 0.971 nan 8.150 nan 0.000 0.501 320 G N 1.838 110.528 108.800 -0.183 0.000 2.259 320 G HA2 -0.305 3.656 3.960 0.002 0.000 0.217 320 G HA3 -0.305 3.656 3.960 0.002 0.000 0.217 320 G C 1.069 175.769 174.900 -0.333 0.000 1.001 320 G CA 0.708 45.742 45.100 -0.109 0.000 0.627 320 G HN 0.899 nan 8.290 nan 0.000 0.501 321 M N 0.433 119.603 119.600 -0.717 0.000 2.074 321 M HA 0.197 4.678 4.480 0.002 0.000 0.259 321 M C 1.763 177.863 176.300 -0.334 0.000 1.079 321 M CA 1.960 56.777 55.300 -0.805 0.000 1.119 321 M CB -0.242 31.834 32.600 -0.872 0.000 1.297 321 M HN 0.540 nan 8.290 nan 0.000 0.416 322 C N 0.611 119.732 119.300 -0.298 0.000 2.351 322 C HA 0.653 5.114 4.460 0.002 0.000 0.359 322 C C 1.822 176.708 174.990 -0.173 0.000 1.193 322 C CA -0.206 58.715 59.018 -0.163 0.000 2.270 322 C CB 1.030 28.673 27.740 -0.161 0.000 2.369 322 C HN 0.649 nan 8.230 nan 0.000 0.553 323 A N 1.952 124.718 122.820 -0.090 0.000 2.067 323 A HA 0.150 4.471 4.320 0.002 0.000 0.217 323 A C 0.849 178.379 177.584 -0.089 0.000 1.156 323 A CA 0.763 52.755 52.037 -0.075 0.000 0.683 323 A CB -0.417 18.573 19.000 -0.016 0.000 0.808 323 A HN 0.851 nan 8.150 nan 0.000 0.455 324 C N 0.557 119.803 119.300 -0.090 0.000 2.303 324 C HA 0.618 5.079 4.460 0.002 0.000 0.326 324 C C -0.009 174.921 174.990 -0.099 0.000 1.285 324 C CA -0.924 58.075 59.018 -0.032 0.000 1.675 324 C CB -0.358 27.386 27.740 0.005 0.000 2.289 324 C HN 0.616 nan 8.230 nan 0.000 0.512 325 H N 1.056 120.105 119.070 -0.034 0.000 2.547 325 H HA 0.571 5.128 4.556 0.001 0.000 0.362 325 H C 0.429 175.734 175.328 -0.039 0.000 1.181 325 H CA 0.512 56.532 56.048 -0.046 0.000 1.376 325 H CB 0.740 30.482 29.762 -0.035 0.000 1.488 325 H HN 0.790 nan 8.280 nan 0.000 0.583 326 S N 1.102 116.843 115.700 0.068 0.000 2.556 326 S HA 0.377 4.848 4.470 0.002 0.000 0.280 326 S C -3.104 171.504 174.600 0.014 0.000 1.141 326 S CA -1.395 56.823 58.200 0.031 0.000 0.883 326 S CB 2.031 65.231 63.200 0.000 0.000 1.103 326 S HN 0.445 nan 8.310 nan 0.000 0.453 327 P HA 0.392 nan 4.420 nan 0.000 0.293 327 P C -0.516 176.798 177.300 0.023 0.000 1.298 327 P CA -0.685 62.432 63.100 0.028 0.000 0.757 327 P CB 0.524 32.246 31.700 0.037 0.000 1.262 328 L N -0.119 121.132 121.223 0.046 0.000 2.379 328 L HA 0.362 4.703 4.340 0.002 0.000 0.269 328 L C -1.928 174.983 176.870 0.068 0.000 1.084 328 L CA -2.103 52.770 54.840 0.055 0.000 0.802 328 L CB 0.227 42.353 42.059 0.113 0.000 1.175 328 L HN 0.231 nan 8.230 nan 0.000 0.448 329 P HA -0.040 nan 4.420 nan 0.000 0.265 329 P C -0.617 176.755 177.300 0.121 0.000 1.193 329 P CA 0.030 63.201 63.100 0.119 0.000 0.765 329 P CB 0.614 32.403 31.700 0.149 0.000 0.823 330 S N 4.231 120.001 115.700 0.118 0.000 2.701 330 S HA 0.219 4.690 4.470 0.002 0.000 0.317 330 S C 0.014 174.670 174.600 0.094 0.000 1.149 330 S CA -0.562 57.694 58.200 0.094 0.000 1.052 330 S CB -1.047 62.201 63.200 0.080 0.000 1.257 330 S HN 0.152 nan 8.310 nan 0.000 0.532 331 I N 6.406 127.020 120.570 0.073 0.000 2.306 331 I HA 0.447 4.618 4.170 0.002 0.000 0.288 331 I C 0.376 176.508 176.117 0.024 0.000 1.036 331 I CA -0.349 60.972 61.300 0.035 0.000 1.221 331 I CB 0.563 38.557 38.000 -0.010 0.000 1.385 331 I HN 0.434 nan 8.210 nan 0.000 0.472 332 R N 3.824 124.341 120.500 0.028 0.000 2.562 332 R HA 0.752 5.093 4.340 0.002 0.000 0.298 332 R C 0.378 176.690 176.300 0.019 0.000 0.961 332 R CA -0.305 55.808 56.100 0.023 0.000 0.881 332 R CB 2.130 32.448 30.300 0.031 0.000 1.159 332 R HN 0.883 nan 8.270 nan 0.000 0.450 333 G N 1.152 109.961 108.800 0.016 0.000 2.482 333 G HA2 -0.132 3.829 3.960 0.002 0.000 0.214 333 G HA3 -0.132 3.829 3.960 0.002 0.000 0.214 333 G C -1.049 173.866 174.900 0.025 0.000 1.271 333 G CA -0.350 44.765 45.100 0.024 0.000 0.944 333 G HN 0.761 nan 8.290 nan 0.000 0.568 334 A N -0.827 122.026 122.820 0.054 0.000 2.328 334 A HA 0.718 5.039 4.320 0.002 0.000 0.284 334 A C 0.134 177.763 177.584 0.076 0.000 1.160 334 A CA 0.215 52.316 52.037 0.106 0.000 0.818 334 A CB 1.158 20.278 19.000 0.200 0.000 1.087 334 A HN 1.807 nan 8.150 nan 0.000 0.504 335 V N 3.939 123.892 119.914 0.066 0.000 2.555 335 V HA 0.398 4.519 4.120 0.002 0.000 0.302 335 V C -0.199 175.923 176.094 0.048 0.000 1.038 335 V CA -0.280 62.014 62.300 -0.010 0.000 0.887 335 V CB 1.575 33.325 31.823 -0.122 0.000 0.991 335 V HN 0.757 nan 8.190 nan 0.000 0.434 336 I N 4.546 125.113 120.570 -0.005 0.000 2.362 336 I HA 0.452 4.623 4.170 0.002 0.000 0.289 336 I C -0.711 175.350 176.117 -0.093 0.000 0.994 336 I CA -0.668 60.638 61.300 0.010 0.000 1.158 336 I CB 1.935 39.971 38.000 0.061 0.000 1.315 336 I HN 0.275 nan 8.210 nan 0.000 0.451 337 V N 7.684 127.521 119.914 -0.129 0.000 2.384 337 V HA 0.393 4.514 4.120 0.002 0.000 0.287 337 V C -0.030 175.967 176.094 -0.163 0.000 1.020 337 V CA -0.556 61.627 62.300 -0.195 0.000 0.850 337 V CB 1.763 33.450 31.823 -0.227 0.000 0.987 337 V HN 0.471 nan 8.190 nan 0.000 0.436 338 L N 5.300 126.406 121.223 -0.195 0.000 2.265 338 L HA 0.914 5.255 4.340 0.002 0.000 0.289 338 L C 0.625 177.361 176.870 -0.223 0.000 1.033 338 L CA 0.075 54.824 54.840 -0.152 0.000 0.814 338 L CB 1.164 43.106 42.059 -0.195 0.000 1.203 338 L HN 0.897 nan 8.230 nan 0.000 0.423 339 G N 2.142 110.992 108.800 0.083 0.000 2.353 339 G HA2 0.369 4.330 3.960 0.002 0.000 0.308 339 G HA3 0.369 4.330 3.960 0.002 0.000 0.308 339 G C -0.802 174.297 174.900 0.331 0.000 1.418 339 G CA -0.063 45.148 45.100 0.185 0.000 0.966 339 G HN 0.607 nan 8.290 nan 0.000 0.638 340 A N -0.651 122.314 122.820 0.242 0.000 2.630 340 A HA 0.789 5.110 4.320 0.002 0.000 0.287 340 A C 0.945 178.685 177.584 0.259 0.000 1.040 340 A CA 1.293 53.415 52.037 0.142 0.000 0.971 340 A CB 0.072 18.930 19.000 -0.236 0.000 1.241 340 A HN 2.068 nan 8.150 nan 0.000 0.558 341 G N -1.115 107.843 108.800 0.264 0.000 2.753 341 G HA2 0.432 4.393 3.960 0.002 0.000 0.285 341 G HA3 0.432 4.393 3.960 0.002 0.000 0.285 341 G C -0.033 175.068 174.900 0.335 0.000 1.344 341 G CA -0.039 45.196 45.100 0.225 0.000 1.050 341 G HN -0.039 nan 8.290 nan 0.000 0.532 342 D N -0.307 120.209 120.400 0.193 0.000 2.158 342 D HA -0.122 4.519 4.640 0.002 0.000 0.197 342 D C 2.580 179.008 176.300 0.213 0.000 0.995 342 D CA 1.804 55.917 54.000 0.189 0.000 0.846 342 D CB -0.327 40.526 40.800 0.089 0.000 0.941 342 D HN 0.316 nan 8.370 nan 0.000 0.456 343 T N 0.960 115.609 114.554 0.158 0.000 2.684 343 T HA -0.164 4.187 4.350 0.002 0.000 0.267 343 T C 2.067 176.835 174.700 0.113 0.000 1.036 343 T CA 1.775 63.945 62.100 0.118 0.000 1.148 343 T CB -0.346 68.576 68.868 0.089 0.000 0.863 343 T HN 0.235 nan 8.240 nan 0.000 0.436 344 A N 0.916 123.801 122.820 0.109 0.000 1.877 344 A HA -0.014 4.307 4.320 0.002 0.000 0.216 344 A C 2.006 179.555 177.584 -0.059 0.000 1.186 344 A CA 1.440 53.469 52.037 -0.014 0.000 0.620 344 A CB -1.056 17.914 19.000 -0.049 0.000 0.822 344 A HN 0.478 nan 8.150 nan 0.000 0.443 345 F N 0.484 120.505 119.950 0.119 0.000 2.234 345 F HA -0.129 4.398 4.527 0.002 0.000 0.299 345 F C 2.002 177.877 175.800 0.126 0.000 1.087 345 F CA 1.507 59.583 58.000 0.127 0.000 1.340 345 F CB -0.246 38.834 39.000 0.133 0.000 1.031 345 F HN 0.195 nan 8.300 nan 0.000 0.500 346 D N -0.864 119.699 120.400 0.271 0.000 2.224 346 D HA -0.106 4.535 4.640 0.002 0.000 0.205 346 D C 2.310 178.742 176.300 0.220 0.000 0.965 346 D CA 0.876 55.014 54.000 0.230 0.000 0.852 346 D CB -0.507 40.374 40.800 0.135 0.000 0.947 346 D HN 0.251 nan 8.370 nan 0.000 0.494 347 C N 0.872 120.273 119.300 0.169 0.000 2.446 347 C HA 0.035 4.496 4.460 0.002 0.000 0.277 347 C C 2.864 177.932 174.990 0.130 0.000 1.275 347 C CA 0.695 59.838 59.018 0.208 0.000 1.727 347 C CB -0.825 26.951 27.740 0.059 0.000 2.010 347 C HN 0.353 nan 8.230 nan 0.000 0.486 348 A N 1.306 124.139 122.820 0.021 0.000 1.858 348 A HA -0.208 4.113 4.320 0.002 0.000 0.216 348 A C 2.302 179.894 177.584 0.014 0.000 1.190 348 A CA 2.801 54.805 52.037 -0.056 0.000 0.617 348 A CB -1.324 17.587 19.000 -0.148 0.000 0.827 348 A HN 0.661 nan 8.150 nan 0.000 0.443 349 T N -2.818 111.798 114.554 0.104 0.000 2.821 349 T HA -0.092 4.259 4.350 0.002 0.000 0.267 349 T C 1.978 176.759 174.700 0.134 0.000 1.046 349 T CA 1.787 63.931 62.100 0.073 0.000 1.139 349 T CB -0.555 68.390 68.868 0.128 0.000 0.871 349 T HN 0.265 nan 8.240 nan 0.000 0.454 350 S N 1.768 117.673 115.700 0.341 0.000 2.402 350 S HA 0.188 4.659 4.470 0.002 0.000 0.229 350 S C 2.613 177.393 174.600 0.301 0.000 1.021 350 S CA 0.765 59.187 58.200 0.370 0.000 0.974 350 S CB -0.739 62.640 63.200 0.297 0.000 0.800 350 S HN 0.758 nan 8.310 nan 0.000 0.484 351 A N 1.637 124.625 122.820 0.280 0.000 1.940 351 A HA -0.037 4.284 4.320 0.002 0.000 0.219 351 A C 2.048 179.661 177.584 0.047 0.000 1.176 351 A CA 1.134 53.261 52.037 0.151 0.000 0.631 351 A CB -0.712 18.235 19.000 -0.087 0.000 0.814 351 A HN 0.470 nan 8.150 nan 0.000 0.446 352 L N -1.572 119.644 121.223 -0.013 0.000 2.083 352 L HA -0.153 4.188 4.340 0.002 0.000 0.209 352 L C 2.691 179.512 176.870 -0.081 0.000 1.083 352 L CA 1.216 56.014 54.840 -0.071 0.000 0.752 352 L CB -0.379 41.606 42.059 -0.123 0.000 0.899 352 L HN 0.211 nan 8.230 nan 0.000 0.433 353 R N -0.766 119.676 120.500 -0.095 0.000 2.189 353 R HA -0.056 4.285 4.340 0.002 0.000 0.223 353 R C 1.991 178.288 176.300 -0.004 0.000 1.092 353 R CA 0.858 56.860 56.100 -0.164 0.000 0.989 353 R CB -0.849 29.227 30.300 -0.373 0.000 0.876 353 R HN 0.332 nan 8.270 nan 0.000 0.457 354 C N -1.158 118.183 119.300 0.068 0.000 2.626 354 C HA 0.398 4.859 4.460 0.002 0.000 0.266 354 C C 1.420 176.444 174.990 0.057 0.000 1.317 354 C CA 0.456 59.535 59.018 0.102 0.000 1.716 354 C CB -0.647 27.195 27.740 0.170 0.000 1.819 354 C HN 0.712 nan 8.230 nan 0.000 0.578 355 G N 0.243 109.055 108.800 0.020 0.000 2.168 355 G HA2 0.025 3.986 3.960 0.002 0.000 0.197 355 G HA3 0.025 3.986 3.960 0.002 0.000 0.197 355 G C 0.141 175.037 174.900 -0.006 0.000 0.997 355 G CA 0.021 45.125 45.100 0.007 0.000 0.658 355 G HN 0.843 nan 8.290 nan 0.000 0.513 356 A N 0.145 122.954 122.820 -0.019 0.000 2.540 356 A HA 0.593 4.914 4.320 0.002 0.000 0.239 356 A C 1.379 178.936 177.584 -0.044 0.000 1.061 356 A CA 1.339 53.354 52.037 -0.037 0.000 0.758 356 A CB 0.214 19.175 19.000 -0.065 0.000 0.991 356 A HN 0.751 nan 8.150 nan 0.000 0.502 357 R N 1.068 121.548 120.500 -0.034 0.000 2.100 357 R HA 0.068 4.409 4.340 0.002 0.000 0.220 357 R C 0.812 177.069 176.300 -0.073 0.000 1.091 357 R CA 1.187 57.267 56.100 -0.035 0.000 0.986 357 R CB 0.108 30.403 30.300 -0.008 0.000 0.888 357 R HN 0.782 nan 8.270 nan 0.000 0.444 358 R N -0.261 120.181 120.500 -0.096 0.000 2.643 358 R HA 0.357 4.698 4.340 0.002 0.000 0.269 358 R C -1.994 174.160 176.300 -0.243 0.000 1.037 358 R CA -0.685 55.293 56.100 -0.204 0.000 0.894 358 R CB 2.396 32.573 30.300 -0.206 0.000 1.238 358 R HN -0.006 nan 8.270 nan 0.000 0.459 359 V N 3.985 123.656 119.914 -0.404 0.000 2.588 359 V HA 0.565 4.686 4.120 0.002 0.000 0.304 359 V C -1.170 174.582 176.094 -0.571 0.000 1.042 359 V CA -0.627 61.462 62.300 -0.352 0.000 0.877 359 V CB 1.768 33.426 31.823 -0.274 0.000 0.996 359 V HN 0.563 nan 8.190 nan 0.000 0.425 360 F N 4.382 124.177 119.950 -0.258 0.000 2.449 360 F HA 0.599 5.127 4.527 0.002 0.000 0.342 360 F C -0.057 175.513 175.800 -0.383 0.000 1.127 360 F CA -0.541 57.272 58.000 -0.312 0.000 0.975 360 F CB 1.610 40.468 39.000 -0.237 0.000 1.146 360 F HN 0.193 nan 8.300 nan 0.000 0.444 361 L N 4.739 125.728 121.223 -0.390 0.000 2.257 361 L HA 0.511 4.852 4.340 0.002 0.000 0.290 361 L C -0.732 175.715 176.870 -0.705 0.000 1.044 361 L CA -0.712 53.812 54.840 -0.528 0.000 0.810 361 L CB 1.104 42.777 42.059 -0.644 0.000 1.193 361 L HN 0.326 nan 8.230 nan 0.000 0.425 362 V N 4.680 124.294 119.914 -0.501 0.000 2.370 362 V HA 0.409 4.530 4.120 0.002 0.000 0.279 362 V C -0.163 175.781 176.094 -0.250 0.000 1.029 362 V CA -0.350 61.681 62.300 -0.449 0.000 0.870 362 V CB 1.082 32.742 31.823 -0.272 0.000 0.984 362 V HN 0.392 nan 8.190 nan 0.000 0.451 363 F N 3.414 123.375 119.950 0.019 0.000 2.480 363 F HA 0.531 5.059 4.527 0.002 0.000 0.329 363 F C 1.278 177.064 175.800 -0.024 0.000 1.091 363 F CA -0.919 57.094 58.000 0.022 0.000 0.972 363 F CB 1.851 40.864 39.000 0.023 0.000 1.150 363 F HN 0.390 nan 8.300 nan 0.000 0.467 364 R N 1.516 122.121 120.500 0.175 0.000 2.148 364 R HA 0.030 4.371 4.340 0.002 0.000 0.223 364 R C 0.137 176.353 176.300 -0.141 0.000 1.088 364 R CA 1.121 57.247 56.100 0.044 0.000 0.985 364 R CB 0.258 30.551 30.300 -0.011 0.000 0.880 364 R HN 0.674 nan 8.270 nan 0.000 0.451 365 K N -1.251 118.965 120.400 -0.307 0.000 2.359 365 K HA 0.398 4.719 4.320 0.002 0.000 0.261 365 K C 0.057 176.214 176.600 -0.738 0.000 1.050 365 K CA -0.612 55.298 56.287 -0.629 0.000 1.053 365 K CB 0.601 32.593 32.500 -0.847 0.000 1.492 365 K HN 0.085 nan 8.250 nan 0.000 0.640 366 G N -0.161 108.203 108.800 -0.726 0.000 2.535 366 G HA2 0.166 4.127 3.960 0.002 0.000 0.303 366 G HA3 0.166 4.127 3.960 0.002 0.000 0.303 366 G C 0.000 174.885 174.900 -0.025 0.000 1.237 366 G CA -0.342 44.354 45.100 -0.673 0.000 0.986 366 G HN 0.349 nan 8.290 nan 0.000 0.494 367 F N -0.115 119.803 119.950 -0.054 0.000 2.171 367 F HA -0.082 4.446 4.527 0.002 0.000 0.300 367 F C 2.865 178.619 175.800 -0.076 0.000 1.090 367 F CA 0.577 58.561 58.000 -0.028 0.000 1.293 367 F CB -0.365 38.658 39.000 0.039 0.000 1.013 367 F HN 0.063 nan 8.300 nan 0.000 0.486 368 V N 0.053 120.062 119.914 0.159 0.000 2.720 368 V HA -0.288 3.833 4.120 0.002 0.000 0.256 368 V C 1.210 177.308 176.094 0.006 0.000 1.082 368 V CA 1.969 64.313 62.300 0.073 0.000 1.101 368 V CB -0.945 30.960 31.823 0.136 0.000 0.693 368 V HN 0.320 nan 8.190 nan 0.000 0.479 369 N N -0.647 118.043 118.700 -0.016 0.000 2.336 369 N HA 0.241 4.982 4.740 0.002 0.000 0.189 369 N C 0.310 175.717 175.510 -0.171 0.000 1.113 369 N CA -0.042 52.968 53.050 -0.066 0.000 0.858 369 N CB -0.017 38.431 38.487 -0.065 0.000 0.970 369 N HN 0.400 nan 8.380 nan 0.000 0.471 370 I N 1.307 121.722 120.570 -0.259 0.000 2.845 370 I HA -0.149 4.022 4.170 0.002 0.000 0.296 370 I C 1.363 177.356 176.117 -0.208 0.000 1.216 370 I CA 0.464 61.559 61.300 -0.342 0.000 1.438 370 I CB 0.691 38.431 38.000 -0.433 0.000 1.342 370 I HN 0.181 nan 8.210 nan 0.000 0.577 371 R N 4.315 124.728 120.500 -0.144 0.000 2.140 371 R HA 0.173 4.514 4.340 0.002 0.000 0.213 371 R C 0.758 176.997 176.300 -0.103 0.000 1.059 371 R CA 0.311 56.358 56.100 -0.088 0.000 1.000 371 R CB 0.003 30.284 30.300 -0.032 0.000 0.910 371 R HN 0.752 nan 8.270 nan 0.000 0.455 372 A N 1.688 124.427 122.820 -0.135 0.000 2.445 372 A HA 0.292 4.612 4.320 0.002 0.000 0.242 372 A C 0.648 178.068 177.584 -0.273 0.000 1.075 372 A CA -0.479 51.429 52.037 -0.214 0.000 0.777 372 A CB 0.269 19.035 19.000 -0.390 0.000 1.013 372 A HN 0.120 nan 8.150 nan 0.000 0.493 373 V N 0.358 120.143 119.914 -0.216 0.000 2.963 373 V HA 0.166 4.287 4.120 0.002 0.000 0.306 373 V C -1.243 174.698 176.094 -0.256 0.000 1.077 373 V CA -0.774 61.409 62.300 -0.195 0.000 1.124 373 V CB -0.057 31.684 31.823 -0.136 0.000 0.987 373 V HN 0.804 nan 8.190 nan 0.000 0.487 374 P HA -0.178 nan 4.420 nan 0.000 0.217 374 P C 1.164 178.339 177.300 -0.209 0.000 1.148 374 P CA 1.671 64.636 63.100 -0.224 0.000 0.828 374 P CB 0.299 31.906 31.700 -0.154 0.000 0.783 375 E N 0.009 120.106 120.200 -0.172 0.000 2.106 375 E HA -0.183 4.168 4.350 0.002 0.000 0.192 375 E C 2.082 178.564 176.600 -0.197 0.000 0.984 375 E CA 1.191 57.490 56.400 -0.167 0.000 0.806 375 E CB -0.725 28.902 29.700 -0.120 0.000 0.750 375 E HN 0.374 nan 8.360 nan 0.000 0.458 376 E N 0.209 120.278 120.200 -0.218 0.000 2.072 376 E HA -0.090 4.261 4.350 0.002 0.000 0.190 376 E C 1.836 178.247 176.600 -0.314 0.000 0.982 376 E CA 0.835 57.105 56.400 -0.217 0.000 0.803 376 E CB -0.112 29.452 29.700 -0.227 0.000 0.755 376 E HN 0.070 nan 8.360 nan 0.000 0.453 377 V N 1.082 120.675 119.914 -0.535 0.000 2.392 377 V HA -0.239 3.882 4.120 0.002 0.000 0.249 377 V C 2.387 178.436 176.094 -0.076 0.000 1.059 377 V CA 2.104 64.078 62.300 -0.543 0.000 1.051 377 V CB -0.711 30.772 31.823 -0.567 0.000 0.658 377 V HN 0.328 nan 8.190 nan 0.000 0.455 378 E N 0.495 120.625 120.200 -0.118 0.000 2.160 378 E HA -0.203 4.148 4.350 0.002 0.000 0.195 378 E C 1.980 178.597 176.600 0.029 0.000 0.991 378 E CA 1.433 57.811 56.400 -0.036 0.000 0.810 378 E CB -0.391 29.247 29.700 -0.103 0.000 0.742 378 E HN 0.601 nan 8.360 nan 0.000 0.466 379 L N -0.466 120.755 121.223 -0.003 0.000 2.046 379 L HA -0.124 4.217 4.340 0.002 0.000 0.208 379 L C 2.489 179.437 176.870 0.129 0.000 1.077 379 L CA 1.172 56.040 54.840 0.047 0.000 0.747 379 L CB -0.589 41.499 42.059 0.050 0.000 0.896 379 L HN 0.211 nan 8.230 nan 0.000 0.432 380 A N -0.033 122.937 122.820 0.249 0.000 1.897 380 A HA -0.201 4.120 4.320 0.002 0.000 0.215 380 A C 2.400 180.156 177.584 0.287 0.000 1.181 380 A CA 1.559 53.763 52.037 0.278 0.000 0.620 380 A CB -0.349 18.946 19.000 0.490 0.000 0.821 380 A HN 0.292 nan 8.150 nan 0.000 0.443 381 K N 0.485 121.156 120.400 0.452 0.000 2.026 381 K HA -0.222 4.098 4.320 0.002 0.000 0.208 381 K C 2.003 178.750 176.600 0.245 0.000 1.048 381 K CA 1.777 58.340 56.287 0.460 0.000 0.929 381 K CB -0.224 32.476 32.500 0.333 0.000 0.713 381 K HN 0.737 nan 8.250 nan 0.000 0.439 382 E N 0.145 120.451 120.200 0.177 0.000 2.268 382 E HA -0.175 4.176 4.350 0.002 0.000 0.195 382 E C 0.560 177.213 176.600 0.088 0.000 0.995 382 E CA 1.049 57.530 56.400 0.134 0.000 0.836 382 E CB 0.022 29.812 29.700 0.149 0.000 0.763 382 E HN 0.421 nan 8.360 nan 0.000 0.491 383 E N 0.834 121.072 120.200 0.065 0.000 2.419 383 E HA 0.044 4.395 4.350 0.002 0.000 0.190 383 E C -0.446 176.143 176.600 -0.017 0.000 1.040 383 E CA -0.226 56.175 56.400 0.001 0.000 0.900 383 E CB 0.359 30.030 29.700 -0.047 0.000 1.054 383 E HN 0.080 nan 8.360 nan 0.000 0.462 384 K N -0.679 119.735 120.400 0.024 0.000 3.129 384 K HA -0.163 4.158 4.320 0.002 0.000 0.273 384 K C -0.484 176.041 176.600 -0.125 0.000 1.123 384 K CA 0.313 56.594 56.287 -0.010 0.000 0.800 384 K CB -3.205 29.281 32.500 -0.023 0.000 1.238 384 K HN 0.257 nan 8.250 nan 0.000 0.492 385 C N 1.269 120.467 119.300 -0.170 0.000 2.601 385 C HA 0.277 4.738 4.460 0.002 0.000 0.409 385 C C 1.321 175.970 174.990 -0.568 0.000 1.293 385 C CA -0.481 58.286 59.018 -0.419 0.000 2.101 385 C CB 0.614 28.057 27.740 -0.495 0.000 2.639 385 C HN 0.338 nan 8.230 nan 0.000 0.592 386 E N 1.211 121.035 120.200 -0.627 0.000 2.231 386 E HA 0.570 4.921 4.350 0.002 0.000 0.277 386 E C -1.377 174.928 176.600 -0.492 0.000 0.999 386 E CA -0.267 55.879 56.400 -0.424 0.000 0.827 386 E CB 0.402 29.845 29.700 -0.429 0.000 1.101 386 E HN 0.389 nan 8.360 nan 0.000 0.393 387 F N 3.846 123.761 119.950 -0.058 0.000 2.458 387 F HA 0.433 4.961 4.527 0.002 0.000 0.336 387 F C -0.369 175.278 175.800 -0.255 0.000 1.114 387 F CA -0.833 57.086 58.000 -0.135 0.000 0.987 387 F CB 0.964 40.130 39.000 0.276 0.000 1.130 387 F HN 0.214 nan 8.300 nan 0.000 0.458 388 L N 5.885 126.975 121.223 -0.222 0.000 2.353 388 L HA 0.454 4.795 4.340 0.002 0.000 0.270 388 L C -2.464 174.284 176.870 -0.203 0.000 1.003 388 L CA -1.885 52.838 54.840 -0.196 0.000 0.862 388 L CB 1.574 43.495 42.059 -0.229 0.000 1.221 388 L HN 0.330 nan 8.230 nan 0.000 0.430 389 P HA 0.267 nan 4.420 nan 0.000 0.278 389 P C -0.166 177.211 177.300 0.129 0.000 1.266 389 P CA -0.424 62.700 63.100 0.041 0.000 0.807 389 P CB 0.696 32.400 31.700 0.007 0.000 1.094 390 F N -2.568 117.490 119.950 0.179 0.000 2.866 390 F HA -0.198 4.330 4.527 0.002 0.000 0.254 390 F C -0.054 175.811 175.800 0.109 0.000 1.009 390 F CA 0.508 58.616 58.000 0.179 0.000 0.907 390 F CB -1.844 37.269 39.000 0.188 0.000 0.859 390 F HN 0.153 nan 8.300 nan 0.000 0.842 391 L N 0.593 121.915 121.223 0.164 0.000 2.410 391 L HA 0.617 4.958 4.340 0.002 0.000 0.270 391 L C -0.160 176.848 176.870 0.231 0.000 0.983 391 L CA -0.599 54.303 54.840 0.104 0.000 0.822 391 L CB 2.301 44.240 42.059 -0.200 0.000 1.285 391 L HN 0.134 nan 8.230 nan 0.000 0.409 392 S N 4.942 120.845 115.700 0.337 0.000 2.659 392 S HA 0.595 5.066 4.470 0.002 0.000 0.312 392 S C -2.640 172.198 174.600 0.397 0.000 1.114 392 S CA -1.459 56.938 58.200 0.329 0.000 1.063 392 S CB 1.561 64.874 63.200 0.189 0.000 0.996 392 S HN 0.266 nan 8.310 nan 0.000 0.478 393 P HA 0.275 nan 4.420 nan 0.000 0.271 393 P C -0.249 176.934 177.300 -0.196 0.000 1.216 393 P CA -0.175 62.820 63.100 -0.176 0.000 0.776 393 P CB 0.959 32.606 31.700 -0.088 0.000 0.881 394 R N 1.127 121.458 120.500 -0.282 0.000 2.561 394 R HA 0.214 4.555 4.340 0.002 0.000 0.213 394 R C 0.226 176.394 176.300 -0.220 0.000 0.885 394 R CA 0.297 56.278 56.100 -0.198 0.000 1.002 394 R CB 0.677 30.916 30.300 -0.101 0.000 1.432 394 R HN 0.484 nan 8.270 nan 0.000 0.651 395 K N 0.476 120.730 120.400 -0.243 0.000 2.546 395 K HA 0.365 4.686 4.320 0.002 0.000 0.264 395 K C -1.486 175.009 176.600 -0.174 0.000 0.937 395 K CA -0.610 55.567 56.287 -0.183 0.000 0.833 395 K CB 3.480 35.908 32.500 -0.119 0.000 1.378 395 K HN -0.234 nan 8.250 nan 0.000 0.432 396 V N 3.825 123.677 119.914 -0.104 0.000 2.313 396 V HA 0.270 4.391 4.120 0.002 0.000 0.278 396 V C -0.225 175.835 176.094 -0.055 0.000 1.017 396 V CA -0.871 61.396 62.300 -0.055 0.000 0.823 396 V CB 0.852 32.692 31.823 0.027 0.000 1.010 396 V HN 0.609 nan 8.190 nan 0.000 0.443 397 I N 6.030 126.559 120.570 -0.067 0.000 2.436 397 I HA 0.192 4.363 4.170 0.002 0.000 0.289 397 I C 0.128 176.236 176.117 -0.015 0.000 1.083 397 I CA 0.282 61.563 61.300 -0.032 0.000 1.372 397 I CB 0.918 38.909 38.000 -0.015 0.000 1.408 397 I HN 0.220 nan 8.210 nan 0.000 0.516 398 V N 8.127 128.036 119.914 -0.008 0.000 2.409 398 V HA 0.430 4.551 4.120 0.002 0.000 0.291 398 V C 0.108 176.205 176.094 0.005 0.000 1.020 398 V CA -0.818 61.480 62.300 -0.002 0.000 0.848 398 V CB 1.821 33.639 31.823 -0.008 0.000 0.990 398 V HN 0.634 nan 8.190 nan 0.000 0.430 399 K N 2.648 123.055 120.400 0.011 0.000 2.443 399 K HA 0.611 4.932 4.320 0.002 0.000 0.252 399 K C 0.682 177.289 176.600 0.012 0.000 0.933 399 K CA -0.325 55.969 56.287 0.013 0.000 0.792 399 K CB 2.030 34.542 32.500 0.021 0.000 1.185 399 K HN 0.960 nan 8.250 nan 0.000 0.425 400 G N 1.444 110.250 108.800 0.010 0.000 2.249 400 G HA2 -0.252 3.709 3.960 0.002 0.000 0.273 400 G HA3 -0.252 3.709 3.960 0.002 0.000 0.273 400 G C 0.722 175.627 174.900 0.009 0.000 1.036 400 G CA 0.774 45.880 45.100 0.009 0.000 0.824 400 G HN 1.196 nan 8.290 nan 0.000 0.504 401 G N -1.908 106.895 108.800 0.006 0.000 2.143 401 G HA2 -0.189 3.772 3.960 0.002 0.000 0.248 401 G HA3 -0.189 3.772 3.960 0.002 0.000 0.248 401 G C 0.202 175.107 174.900 0.008 0.000 0.991 401 G CA 1.075 46.178 45.100 0.005 0.000 0.689 401 G HN 1.321 nan 8.290 nan 0.000 0.522 402 R N -0.967 119.540 120.500 0.011 0.000 2.673 402 R HA 0.609 4.950 4.340 0.002 0.000 0.281 402 R C 0.177 176.486 176.300 0.015 0.000 0.991 402 R CA -1.112 54.998 56.100 0.015 0.000 0.896 402 R CB 1.627 31.939 30.300 0.020 0.000 1.201 402 R HN 0.171 nan 8.270 nan 0.000 0.457 403 I N 2.673 123.255 120.570 0.019 0.000 2.618 403 I HA -0.065 4.106 4.170 0.002 0.000 0.284 403 I C 1.365 177.490 176.117 0.013 0.000 1.146 403 I CA 0.189 61.498 61.300 0.015 0.000 1.425 403 I CB 0.937 38.953 38.000 0.027 0.000 1.383 403 I HN 0.578 nan 8.210 nan 0.000 0.562 404 V N 2.637 122.553 119.914 0.004 0.000 3.548 404 V HA 0.698 4.819 4.120 0.002 0.000 0.279 404 V C 0.397 176.483 176.094 -0.014 0.000 1.446 404 V CA 0.440 62.748 62.300 0.013 0.000 1.023 404 V CB 0.055 31.900 31.823 0.036 0.000 0.820 404 V HN 0.818 nan 8.190 nan 0.000 0.438 405 A N -0.656 122.122 122.820 -0.070 0.000 2.522 405 A HA 0.745 5.066 4.320 0.002 0.000 0.291 405 A C -1.572 175.889 177.584 -0.206 0.000 1.039 405 A CA -0.130 51.794 52.037 -0.188 0.000 0.643 405 A CB 1.428 20.168 19.000 -0.433 0.000 1.310 405 A HN 0.622 nan 8.150 nan 0.000 0.436 406 V N 1.212 120.985 119.914 -0.235 0.000 2.577 406 V HA 0.561 4.682 4.120 0.002 0.000 0.303 406 V C -0.154 175.735 176.094 -0.342 0.000 1.042 406 V CA -0.407 61.726 62.300 -0.278 0.000 0.872 406 V CB 1.670 33.332 31.823 -0.269 0.000 0.998 406 V HN 0.920 nan 8.190 nan 0.000 0.423 407 Q N 3.292 122.874 119.800 -0.364 0.000 2.278 407 Q HA 0.639 4.980 4.340 0.002 0.000 0.257 407 Q C -1.745 174.087 176.000 -0.281 0.000 0.928 407 Q CA -0.291 55.401 55.803 -0.185 0.000 0.932 407 Q CB 1.130 29.817 28.738 -0.084 0.000 1.221 407 Q HN 0.605 nan 8.270 nan 0.000 0.434 408 F N 1.578 121.525 119.950 -0.005 0.000 2.639 408 F HA 0.615 5.143 4.527 0.002 0.000 0.339 408 F C -0.171 175.648 175.800 0.031 0.000 1.071 408 F CA -0.959 57.052 58.000 0.020 0.000 0.994 408 F CB 1.465 40.483 39.000 0.029 0.000 1.341 408 F HN 0.346 nan 8.300 nan 0.000 0.498 409 V N -0.932 119.144 119.914 0.270 0.000 2.823 409 V HA 0.628 4.749 4.120 0.002 0.000 0.312 409 V C -0.391 175.814 176.094 0.184 0.000 1.072 409 V CA -1.219 61.184 62.300 0.172 0.000 0.937 409 V CB 1.645 33.538 31.823 0.116 0.000 1.013 409 V HN 0.858 nan 8.190 nan 0.000 0.430 410 R N 1.926 122.514 120.500 0.147 0.000 2.643 410 R HA 0.508 4.849 4.340 0.002 0.000 0.270 410 R C 0.003 176.420 176.300 0.194 0.000 1.061 410 R CA 0.570 56.765 56.100 0.159 0.000 1.107 410 R CB 1.004 31.368 30.300 0.106 0.000 0.999 410 R HN 1.127 nan 8.270 nan 0.000 0.460 411 T N -0.082 114.643 114.554 0.285 0.000 2.912 411 T HA 0.539 4.890 4.350 0.002 0.000 0.288 411 T C -0.558 174.373 174.700 0.385 0.000 1.030 411 T CA -0.887 61.433 62.100 0.368 0.000 1.020 411 T CB 2.155 71.311 68.868 0.480 0.000 1.056 411 T HN 0.675 nan 8.240 nan 0.000 0.480 412 E N 0.172 120.564 120.200 0.320 0.000 2.446 412 E HA 0.391 4.742 4.350 0.002 0.000 0.276 412 E C -1.391 175.145 176.600 -0.107 0.000 0.969 412 E CA -0.890 55.564 56.400 0.090 0.000 0.800 412 E CB 2.692 32.380 29.700 -0.020 0.000 1.341 412 E HN 0.664 nan 8.360 nan 0.000 0.460 413 Q N 1.775 121.352 119.800 -0.373 0.000 2.330 413 Q HA 0.202 4.543 4.340 0.002 0.000 0.269 413 Q C -1.519 174.282 176.000 -0.333 0.000 1.022 413 Q CA -0.736 54.679 55.803 -0.646 0.000 0.796 413 Q CB 1.301 29.422 28.738 -1.028 0.000 1.271 413 Q HN 0.497 nan 8.270 nan 0.000 0.450 414 D N 1.599 121.848 120.400 -0.253 0.000 2.478 414 D HA 0.136 4.777 4.640 0.002 0.000 0.263 414 D C 0.600 176.818 176.300 -0.138 0.000 1.153 414 D CA -0.409 53.501 54.000 -0.151 0.000 1.038 414 D CB 0.728 41.471 40.800 -0.095 0.000 1.120 414 D HN 0.305 nan 8.370 nan 0.000 0.564 415 E N 0.027 120.173 120.200 -0.090 0.000 2.002 415 E HA -0.221 4.130 4.350 0.002 0.000 0.205 415 E C 2.126 178.691 176.600 -0.059 0.000 1.020 415 E CA 2.590 58.949 56.400 -0.068 0.000 0.856 415 E CB -1.497 28.176 29.700 -0.046 0.000 0.788 415 E HN 0.811 nan 8.360 nan 0.000 0.477 416 T N -1.608 112.921 114.554 -0.042 0.000 2.858 416 T HA -0.151 4.200 4.350 0.002 0.000 0.263 416 T C 1.104 175.790 174.700 -0.024 0.000 1.072 416 T CA 1.566 63.650 62.100 -0.026 0.000 1.141 416 T CB -0.552 68.306 68.868 -0.017 0.000 0.821 416 T HN 0.544 nan 8.240 nan 0.000 0.517 417 G N 0.428 109.198 108.800 -0.050 0.000 2.698 417 G HA2 0.147 4.108 3.960 0.002 0.000 0.360 417 G HA3 0.147 4.108 3.960 0.002 0.000 0.360 417 G C -0.721 174.164 174.900 -0.025 0.000 1.005 417 G CA -0.247 44.828 45.100 -0.041 0.000 1.293 417 G HN 0.785 nan 8.290 nan 0.000 0.590 418 K N 0.514 120.854 120.400 -0.101 0.000 2.600 418 K HA 0.402 4.723 4.320 0.002 0.000 0.262 418 K C -1.420 175.104 176.600 -0.125 0.000 0.935 418 K CA -1.020 55.255 56.287 -0.020 0.000 0.866 418 K CB 1.195 33.702 32.500 0.011 0.000 1.354 418 K HN 0.222 nan 8.250 nan 0.000 0.419 419 W N 3.702 125.038 121.300 0.060 0.000 2.335 419 W HA 0.436 5.097 4.660 0.002 0.000 0.307 419 W C 0.105 176.663 176.519 0.064 0.000 1.117 419 W CA -0.350 57.042 57.345 0.078 0.000 1.228 419 W CB 1.045 30.559 29.460 0.090 0.000 1.240 419 W HN 0.347 nan 8.180 nan 0.000 0.468 420 N N 2.423 121.255 118.700 0.221 0.000 2.362 420 N HA 0.376 5.117 4.740 0.002 0.000 0.299 420 N C -0.983 174.633 175.510 0.176 0.000 1.170 420 N CA -0.918 52.224 53.050 0.153 0.000 0.825 420 N CB 1.811 40.342 38.487 0.072 0.000 1.299 420 N HN 0.443 nan 8.380 nan 0.000 0.502 421 E N 0.328 120.607 120.200 0.130 0.000 2.171 421 E HA 0.257 4.608 4.350 0.002 0.000 0.271 421 E C -1.199 175.453 176.600 0.087 0.000 0.916 421 E CA -0.686 55.789 56.400 0.125 0.000 0.774 421 E CB 1.520 31.284 29.700 0.106 0.000 1.128 421 E HN 0.318 nan 8.360 nan 0.000 0.403 422 D N 3.833 124.286 120.400 0.087 0.000 2.428 422 D HA 0.033 4.674 4.640 0.002 0.000 0.221 422 D C 0.625 176.959 176.300 0.057 0.000 1.123 422 D CA -0.150 53.886 54.000 0.060 0.000 0.869 422 D CB 1.073 41.904 40.800 0.051 0.000 1.032 422 D HN 0.384 nan 8.370 nan 0.000 0.506 423 E N 1.392 121.618 120.200 0.044 0.000 2.153 423 E HA -0.158 4.192 4.350 0.002 0.000 0.194 423 E C 1.258 177.879 176.600 0.034 0.000 0.988 423 E CA 0.939 57.361 56.400 0.037 0.000 0.811 423 E CB 0.129 29.844 29.700 0.025 0.000 0.746 423 E HN 0.605 nan 8.360 nan 0.000 0.466 424 D N 0.251 120.668 120.400 0.029 0.000 2.355 424 D HA -0.119 4.522 4.640 0.002 0.000 0.218 424 D C 0.119 176.437 176.300 0.030 0.000 1.004 424 D CA 0.209 54.224 54.000 0.025 0.000 0.880 424 D CB -0.077 40.733 40.800 0.017 0.000 0.911 424 D HN 0.149 nan 8.370 nan 0.000 0.528 425 Q N 1.125 120.949 119.800 0.039 0.000 2.462 425 Q HA 0.470 4.811 4.340 0.002 0.000 0.247 425 Q C -0.116 175.924 176.000 0.066 0.000 1.044 425 Q CA -0.445 55.385 55.803 0.045 0.000 0.803 425 Q CB 1.815 30.577 28.738 0.040 0.000 1.190 425 Q HN 0.398 nan 8.270 nan 0.000 0.507 426 I N -1.883 118.728 120.570 0.068 0.000 3.023 426 I HA 0.839 5.010 4.170 0.002 0.000 0.312 426 I C -0.756 175.424 176.117 0.106 0.000 1.056 426 I CA -1.373 59.985 61.300 0.096 0.000 1.033 426 I CB 1.869 39.921 38.000 0.087 0.000 1.233 426 I HN 0.082 nan 8.210 nan 0.000 0.462 427 V N 2.424 122.430 119.914 0.153 0.000 2.686 427 V HA 0.322 4.443 4.120 0.002 0.000 0.306 427 V C -0.848 175.376 176.094 0.218 0.000 1.065 427 V CA -0.423 61.969 62.300 0.154 0.000 0.894 427 V CB 1.582 33.466 31.823 0.102 0.000 1.004 427 V HN 0.791 nan 8.190 nan 0.000 0.424 428 H N 5.595 124.710 119.070 0.076 0.000 2.683 428 H HA 0.418 4.975 4.556 0.002 0.000 0.270 428 H C -1.299 174.048 175.328 0.031 0.000 1.201 428 H CA -0.595 55.489 56.048 0.060 0.000 1.277 428 H CB 1.410 31.187 29.762 0.025 0.000 1.400 428 H HN 0.491 nan 8.280 nan 0.000 0.504 429 L N 5.329 126.528 121.223 -0.040 0.000 2.260 429 L HA 0.270 4.611 4.340 0.002 0.000 0.289 429 L C -0.141 176.632 176.870 -0.161 0.000 1.057 429 L CA -0.342 54.435 54.840 -0.104 0.000 0.811 429 L CB 0.535 42.518 42.059 -0.126 0.000 1.184 429 L HN 0.406 nan 8.230 nan 0.000 0.429 430 K N 4.391 124.730 120.400 -0.100 0.000 2.401 430 K HA 0.611 4.932 4.320 0.002 0.000 0.278 430 K C -0.534 176.021 176.600 -0.076 0.000 1.018 430 K CA 0.162 56.419 56.287 -0.050 0.000 0.981 430 K CB 0.661 33.177 32.500 0.026 0.000 0.933 430 K HN 0.780 nan 8.250 nan 0.000 0.477 431 A N 2.229 125.029 122.820 -0.034 0.000 2.605 431 A HA 0.239 4.560 4.320 0.002 0.000 0.294 431 A C -0.795 176.796 177.584 0.011 0.000 1.062 431 A CA -0.796 51.238 52.037 -0.005 0.000 0.682 431 A CB 1.166 20.157 19.000 -0.016 0.000 1.278 431 A HN 0.780 nan 8.150 nan 0.000 0.410 432 D N -0.306 120.109 120.400 0.024 0.000 2.423 432 D HA 0.249 4.889 4.640 0.002 0.000 0.212 432 D C -0.138 176.180 176.300 0.030 0.000 1.060 432 D CA 0.928 54.945 54.000 0.027 0.000 0.872 432 D CB 1.180 41.999 40.800 0.031 0.000 1.012 432 D HN 0.232 nan 8.370 nan 0.000 0.503 433 V N 1.517 121.440 119.914 0.015 0.000 2.760 433 V HA 0.349 4.470 4.120 0.002 0.000 0.309 433 V C -0.471 175.602 176.094 -0.035 0.000 1.077 433 V CA -0.793 61.511 62.300 0.006 0.000 0.910 433 V CB 3.008 34.807 31.823 -0.038 0.000 1.008 433 V HN -0.234 nan 8.190 nan 0.000 0.424 434 V N 5.507 125.400 119.914 -0.035 0.000 2.531 434 V HA 0.572 4.693 4.120 0.002 0.000 0.301 434 V C -0.615 175.302 176.094 -0.296 0.000 1.034 434 V CA -0.362 61.878 62.300 -0.100 0.000 0.865 434 V CB 1.910 33.737 31.823 0.007 0.000 0.995 434 V HN 0.706 nan 8.190 nan 0.000 0.424 435 I N 4.109 124.458 120.570 -0.369 0.000 2.411 435 I HA 0.374 4.545 4.170 0.002 0.000 0.284 435 I C 0.310 176.153 176.117 -0.455 0.000 1.012 435 I CA -0.366 60.640 61.300 -0.489 0.000 1.119 435 I CB 2.141 39.831 38.000 -0.517 0.000 1.261 435 I HN 0.680 nan 8.210 nan 0.000 0.448 436 S N 4.730 120.108 115.700 -0.538 0.000 2.499 436 S HA 0.658 5.129 4.470 0.002 0.000 0.275 436 S C 0.254 174.606 174.600 -0.414 0.000 1.257 436 S CA -0.504 57.385 58.200 -0.518 0.000 1.050 436 S CB 1.559 64.613 63.200 -0.243 0.000 0.937 436 S HN 0.736 nan 8.310 nan 0.000 0.490 437 A N 3.384 125.894 122.820 -0.516 0.000 3.129 437 A HA 0.537 4.858 4.320 0.002 0.000 0.282 437 A C 0.180 177.686 177.584 -0.129 0.000 0.948 437 A CA -0.728 51.176 52.037 -0.223 0.000 1.027 437 A CB -0.664 18.257 19.000 -0.132 0.000 1.123 437 A HN 0.846 nan 8.150 nan 0.000 0.485 438 F N 0.373 120.393 119.950 0.117 0.000 2.558 438 F HA 0.318 4.846 4.527 0.002 0.000 0.298 438 F C 1.713 177.573 175.800 0.098 0.000 1.119 438 F CA 1.172 59.243 58.000 0.118 0.000 1.451 438 F CB 0.359 39.442 39.000 0.138 0.000 1.091 438 F HN 0.594 nan 8.300 nan 0.000 0.563 439 G N -0.485 108.458 108.800 0.238 0.000 2.298 439 G HA2 0.139 4.100 3.960 0.002 0.000 0.309 439 G HA3 0.139 4.100 3.960 0.002 0.000 0.309 439 G C -1.178 173.816 174.900 0.156 0.000 1.279 439 G CA -0.677 44.526 45.100 0.173 0.000 1.042 439 G HN 0.029 nan 8.290 nan 0.000 0.480 440 S N -1.532 114.245 115.700 0.128 0.000 2.667 440 S HA 0.940 5.411 4.470 0.002 0.000 0.292 440 S C -0.136 174.529 174.600 0.109 0.000 1.126 440 S CA -0.003 58.267 58.200 0.116 0.000 0.881 440 S CB 1.881 65.139 63.200 0.095 0.000 1.132 440 S HN 2.114 nan 8.310 nan 0.000 0.492 441 V N -1.021 118.955 119.914 0.103 0.000 3.203 441 V HA 0.812 4.933 4.120 0.002 0.000 0.305 441 V C -1.990 174.158 176.094 0.091 0.000 1.361 441 V CA -1.062 61.298 62.300 0.100 0.000 1.066 441 V CB 1.676 33.561 31.823 0.104 0.000 1.085 441 V HN 0.708 nan 8.190 nan 0.000 0.456 442 L N 1.336 122.616 121.223 0.095 0.000 2.316 442 L HA 0.736 5.077 4.340 0.002 0.000 0.280 442 L C 0.486 177.405 176.870 0.082 0.000 1.006 442 L CA 0.180 55.075 54.840 0.091 0.000 0.836 442 L CB 1.158 43.285 42.059 0.113 0.000 1.221 442 L HN 0.899 nan 8.230 nan 0.000 0.418 443 R N 1.750 122.287 120.500 0.062 0.000 2.492 443 R HA 0.147 4.487 4.340 0.002 0.000 0.219 443 R C -0.260 176.053 176.300 0.020 0.000 0.886 443 R CA -0.360 55.764 56.100 0.040 0.000 1.003 443 R CB 0.433 30.760 30.300 0.045 0.000 1.345 443 R HN 0.722 nan 8.270 nan 0.000 0.631 444 D N 3.214 123.630 120.400 0.027 0.000 2.554 444 D HA -0.046 4.595 4.640 0.002 0.000 0.251 444 D C -1.463 174.833 176.300 -0.006 0.000 1.213 444 D CA -1.000 53.008 54.000 0.014 0.000 0.900 444 D CB 1.507 42.319 40.800 0.021 0.000 1.135 444 D HN 0.165 nan 8.370 nan 0.000 0.522 445 P HA -0.157 nan 4.420 nan 0.000 0.218 445 P C 0.966 178.242 177.300 -0.039 0.000 1.149 445 P CA 1.036 64.109 63.100 -0.044 0.000 0.817 445 P CB 0.371 32.046 31.700 -0.041 0.000 0.785 446 K N -0.355 120.033 120.400 -0.020 0.000 2.148 446 K HA -0.028 4.293 4.320 0.002 0.000 0.204 446 K C 2.091 178.685 176.600 -0.011 0.000 1.050 446 K CA 0.946 57.224 56.287 -0.015 0.000 0.942 446 K CB -0.438 32.057 32.500 -0.008 0.000 0.724 446 K HN 0.029 nan 8.250 nan 0.000 0.446 447 V N 1.719 121.632 119.914 -0.002 0.000 2.407 447 V HA -0.192 3.929 4.120 0.002 0.000 0.245 447 V C 1.936 178.045 176.094 0.025 0.000 1.041 447 V CA 1.557 63.864 62.300 0.012 0.000 1.040 447 V CB -0.305 31.533 31.823 0.025 0.000 0.671 447 V HN 0.253 nan 8.190 nan 0.000 0.455 448 K N 0.199 120.599 120.400 0.001 0.000 2.057 448 K HA -0.237 4.084 4.320 0.002 0.000 0.207 448 K C 2.190 178.754 176.600 -0.059 0.000 1.049 448 K CA 1.791 58.053 56.287 -0.041 0.000 0.931 448 K CB -0.173 32.193 32.500 -0.223 0.000 0.714 448 K HN 0.531 nan 8.250 nan 0.000 0.440 449 E N 0.876 121.039 120.200 -0.062 0.000 2.153 449 E HA -0.153 4.198 4.350 0.002 0.000 0.194 449 E C 1.742 178.339 176.600 -0.005 0.000 0.988 449 E CA 0.840 57.213 56.400 -0.044 0.000 0.811 449 E CB 0.005 29.680 29.700 -0.041 0.000 0.746 449 E HN 0.326 nan 8.360 nan 0.000 0.466 450 A N 0.481 123.304 122.820 0.004 0.000 2.121 450 A HA -0.044 4.277 4.320 0.002 0.000 0.218 450 A C 1.844 179.442 177.584 0.022 0.000 1.154 450 A CA 0.604 52.646 52.037 0.008 0.000 0.679 450 A CB -0.225 18.772 19.000 -0.004 0.000 0.795 450 A HN 0.314 nan 8.150 nan 0.000 0.458 451 L N -0.145 121.112 121.223 0.056 0.000 2.611 451 L HA 0.107 4.448 4.340 0.002 0.000 0.229 451 L C 1.146 178.073 176.870 0.096 0.000 1.137 451 L CA -0.247 54.640 54.840 0.078 0.000 0.901 451 L CB 0.014 42.186 42.059 0.188 0.000 1.098 451 L HN 0.320 nan 8.230 nan 0.000 0.456 452 S N 1.800 117.544 115.700 0.073 0.000 2.560 452 S HA 0.116 4.587 4.470 0.002 0.000 0.284 452 S C -1.651 172.993 174.600 0.074 0.000 1.327 452 S CA -0.786 57.455 58.200 0.069 0.000 1.055 452 S CB 0.595 63.819 63.200 0.040 0.000 0.868 452 S HN 0.090 nan 8.310 nan 0.000 0.506 453 P HA 0.259 nan 4.420 nan 0.000 0.270 453 P C 0.203 177.545 177.300 0.070 0.000 1.754 453 P CA -0.384 62.758 63.100 0.069 0.000 1.202 453 P CB -0.620 31.116 31.700 0.059 0.000 1.592 454 I N -2.116 118.489 120.570 0.059 0.000 2.813 454 I HA 0.184 4.355 4.170 0.002 0.000 0.287 454 I C -0.017 176.163 176.117 0.104 0.000 1.196 454 I CA -0.315 60.987 61.300 0.003 0.000 1.421 454 I CB 0.448 38.373 38.000 -0.126 0.000 1.365 454 I HN -0.200 nan 8.210 nan 0.000 0.591 455 K N 4.720 125.136 120.400 0.026 0.000 2.270 455 K HA 0.384 4.705 4.320 0.002 0.000 0.276 455 K C -1.127 175.512 176.600 0.065 0.000 1.023 455 K CA -0.139 56.204 56.287 0.092 0.000 0.955 455 K CB 0.672 33.187 32.500 0.024 0.000 0.975 455 K HN 0.368 nan 8.250 nan 0.000 0.471 456 F N 1.764 121.707 119.950 -0.012 0.000 2.492 456 F HA 0.195 4.723 4.527 0.001 0.000 0.327 456 F C 0.733 176.558 175.800 0.042 0.000 1.079 456 F CA -0.955 57.051 58.000 0.010 0.000 0.967 456 F CB 1.245 40.250 39.000 0.009 0.000 1.169 456 F HN 0.603 nan 8.300 nan 0.000 0.472 457 N N 1.024 119.857 118.700 0.222 0.000 2.431 457 N HA 0.309 5.050 4.740 0.002 0.000 0.289 457 N C 0.685 176.345 175.510 0.249 0.000 1.277 457 N CA -0.576 52.626 53.050 0.253 0.000 0.972 457 N CB 0.419 39.113 38.487 0.344 0.000 1.143 457 N HN 0.473 nan 8.380 nan 0.000 0.578 458 R N -1.163 119.440 120.500 0.172 0.000 2.127 458 R HA -0.067 4.274 4.340 0.002 0.000 0.238 458 R C 0.787 176.938 176.300 -0.249 0.000 1.134 458 R CA 1.353 57.327 56.100 -0.211 0.000 0.975 458 R CB -0.231 29.631 30.300 -0.730 0.000 0.865 458 R HN 0.646 nan 8.270 nan 0.000 0.447 459 W N 1.111 122.438 121.300 0.044 0.000 3.292 459 W HA 0.012 4.673 4.660 0.001 0.000 0.263 459 W C 0.020 176.586 176.519 0.080 0.000 1.318 459 W CA -0.244 57.129 57.345 0.047 0.000 1.663 459 W CB -0.258 29.222 29.460 0.032 0.000 1.114 459 W HN 0.214 nan 8.180 nan 0.000 0.706 460 D N 0.911 121.481 120.400 0.284 0.000 2.723 460 D HA -0.192 4.449 4.640 0.002 0.000 0.236 460 D C -0.600 175.992 176.300 0.486 0.000 1.138 460 D CA 0.811 54.999 54.000 0.313 0.000 0.676 460 D CB -1.273 39.618 40.800 0.152 0.000 1.069 460 D HN 0.061 nan 8.370 nan 0.000 0.430 461 L N -0.919 120.533 121.223 0.382 0.000 2.323 461 L HA 0.616 4.957 4.340 0.002 0.000 0.265 461 L C -2.042 174.636 176.870 -0.320 0.000 1.012 461 L CA -2.405 52.511 54.840 0.127 0.000 0.820 461 L CB 1.944 44.044 42.059 0.068 0.000 1.334 461 L HN -0.216 nan 8.230 nan 0.000 0.427 462 P HA -0.021 nan 4.420 nan 0.000 0.263 462 P C -0.950 176.090 177.300 -0.433 0.000 1.195 462 P CA 0.150 62.723 63.100 -0.879 0.000 0.762 462 P CB 0.400 31.705 31.700 -0.658 0.000 0.799 463 E N 3.044 123.034 120.200 -0.351 0.000 2.259 463 E HA 0.364 4.715 4.350 0.002 0.000 0.281 463 E C -0.628 175.849 176.600 -0.205 0.000 1.027 463 E CA -0.750 55.534 56.400 -0.194 0.000 0.838 463 E CB 0.528 30.165 29.700 -0.106 0.000 1.066 463 E HN 0.250 nan 8.360 nan 0.000 0.401 464 V N 1.224 121.037 119.914 -0.169 0.000 3.078 464 V HA 0.391 4.512 4.120 0.002 0.000 0.311 464 V C -0.483 175.533 176.094 -0.130 0.000 1.138 464 V CA -1.223 60.977 62.300 -0.167 0.000 1.007 464 V CB 1.818 33.550 31.823 -0.151 0.000 1.045 464 V HN 0.718 nan 8.190 nan 0.000 0.432 465 D N 4.211 124.529 120.400 -0.137 0.000 2.371 465 D HA 0.272 4.913 4.640 0.002 0.000 0.256 465 D C -1.355 174.886 176.300 -0.099 0.000 1.193 465 D CA -1.612 52.317 54.000 -0.118 0.000 0.881 465 D CB 2.129 42.843 40.800 -0.143 0.000 1.143 465 D HN 0.521 nan 8.370 nan 0.000 0.473 466 P HA -0.166 nan 4.420 nan 0.000 0.223 466 P C 0.827 178.096 177.300 -0.053 0.000 1.144 466 P CA 0.963 64.026 63.100 -0.062 0.000 0.783 466 P CB 0.592 32.256 31.700 -0.060 0.000 0.771 467 E N 0.552 120.699 120.200 -0.089 0.000 2.127 467 E HA -0.064 4.287 4.350 0.002 0.000 0.191 467 E C 1.896 178.357 176.600 -0.232 0.000 0.964 467 E CA 1.608 57.945 56.400 -0.105 0.000 0.832 467 E CB -0.860 28.772 29.700 -0.113 0.000 0.790 467 E HN 0.200 nan 8.360 nan 0.000 0.465 468 T N -2.443 111.894 114.554 -0.362 0.000 3.014 468 T HA 0.152 4.503 4.350 0.002 0.000 0.250 468 T C 0.785 175.532 174.700 0.078 0.000 1.060 468 T CA 0.444 62.232 62.100 -0.521 0.000 1.040 468 T CB 0.111 68.640 68.868 -0.564 0.000 0.971 468 T HN 0.095 nan 8.240 nan 0.000 0.497 469 M N -0.051 119.581 119.600 0.053 0.000 2.899 469 M HA -0.155 4.326 4.480 0.002 0.000 0.195 469 M C 0.029 176.392 176.300 0.105 0.000 0.603 469 M CA 0.511 55.901 55.300 0.151 0.000 0.712 469 M CB -2.876 29.917 32.600 0.322 0.000 2.569 469 M HN 0.670 nan 8.290 nan 0.000 0.406 470 Q N 1.525 121.233 119.800 -0.154 0.000 2.261 470 Q HA 0.455 4.796 4.340 0.002 0.000 0.252 470 Q C 0.829 176.546 176.000 -0.472 0.000 0.915 470 Q CA 0.353 55.743 55.803 -0.689 0.000 0.915 470 Q CB 1.319 29.620 28.738 -0.728 0.000 1.204 470 Q HN 0.464 nan 8.270 nan 0.000 0.421 471 T N -0.572 113.661 114.554 -0.536 0.000 2.793 471 T HA 0.111 4.462 4.350 0.002 0.000 0.299 471 T C 1.324 175.833 174.700 -0.319 0.000 1.038 471 T CA 0.016 61.890 62.100 -0.377 0.000 0.948 471 T CB 0.546 69.182 68.868 -0.386 0.000 1.231 471 T HN 0.703 nan 8.240 nan 0.000 0.538 472 S N -0.748 114.814 115.700 -0.230 0.000 2.447 472 S HA -0.022 4.449 4.470 0.002 0.000 0.233 472 S C 0.525 175.038 174.600 -0.147 0.000 1.006 472 S CA 0.326 58.434 58.200 -0.153 0.000 0.957 472 S CB -0.477 62.668 63.200 -0.090 0.000 0.773 472 S HN 0.687 nan 8.310 nan 0.000 0.507 473 E N 2.676 122.751 120.200 -0.209 0.000 2.115 473 E HA 0.251 4.601 4.350 0.002 0.000 0.282 473 E C -1.765 174.656 176.600 -0.298 0.000 0.987 473 E CA -2.703 53.600 56.400 -0.161 0.000 0.797 473 E CB 1.427 31.015 29.700 -0.187 0.000 1.086 473 E HN 0.218 nan 8.360 nan 0.000 0.397 474 P HA -0.157 nan 4.420 nan 0.000 0.218 474 P C 1.081 177.967 177.300 -0.690 0.000 1.146 474 P CA 1.342 64.246 63.100 -0.327 0.000 0.813 474 P CB -0.023 31.657 31.700 -0.033 0.000 0.778 475 W N -0.134 120.795 121.300 -0.619 0.000 3.290 475 W HA 0.360 5.021 4.660 0.002 0.000 0.287 475 W C -0.746 175.695 176.519 -0.130 0.000 1.288 475 W CA -0.127 56.887 57.345 -0.553 0.000 1.725 475 W CB -0.611 28.785 29.460 -0.107 0.000 1.103 475 W HN -0.336 nan 8.180 nan 0.000 0.670 476 V N 2.614 122.053 119.914 -0.791 0.000 2.448 476 V HA 0.443 4.564 4.120 0.002 0.000 0.295 476 V C -0.821 174.942 176.094 -0.551 0.000 1.025 476 V CA -0.449 61.437 62.300 -0.690 0.000 0.859 476 V CB 1.133 32.396 31.823 -0.934 0.000 0.988 476 V HN -0.176 nan 8.190 nan 0.000 0.431 477 F N 1.946 121.740 119.950 -0.260 0.000 2.618 477 F HA 0.944 5.471 4.527 0.001 0.000 0.332 477 F C 0.373 175.988 175.800 -0.307 0.000 1.061 477 F CA -0.749 57.165 58.000 -0.144 0.000 0.974 477 F CB 2.081 41.142 39.000 0.101 0.000 1.310 477 F HN 0.610 nan 8.300 nan 0.000 0.491 478 A N -0.006 122.736 122.820 -0.130 0.000 2.594 478 A HA 0.913 5.234 4.320 0.002 0.000 0.295 478 A C -0.898 176.539 177.584 -0.246 0.000 1.071 478 A CA -0.171 51.568 52.037 -0.496 0.000 0.685 478 A CB 1.712 20.488 19.000 -0.375 0.000 1.285 478 A HN 1.294 nan 8.150 nan 0.000 0.405 479 G N -1.149 107.448 108.800 -0.338 0.000 2.576 479 G HA2 0.854 4.815 3.960 0.002 0.000 0.290 479 G HA3 0.854 4.815 3.960 0.002 0.000 0.290 479 G C 0.133 175.087 174.900 0.091 0.000 1.442 479 G CA 0.646 45.810 45.100 0.107 0.000 0.792 479 G HN 2.675 nan 8.290 nan 0.000 0.491 480 G N 0.133 108.997 108.800 0.107 0.000 2.587 480 G HA2 -0.055 3.906 3.960 0.002 0.000 0.212 480 G HA3 -0.055 3.906 3.960 0.002 0.000 0.212 480 G C 0.473 175.386 174.900 0.022 0.000 1.327 480 G CA 0.652 45.799 45.100 0.078 0.000 0.898 480 G HN 0.813 nan 8.290 nan 0.000 0.551 481 D N -0.540 119.875 120.400 0.025 0.000 2.190 481 D HA -0.093 4.548 4.640 0.002 0.000 0.200 481 D C 2.405 178.701 176.300 -0.007 0.000 0.992 481 D CA 1.392 55.400 54.000 0.012 0.000 0.854 481 D CB -0.100 40.718 40.800 0.029 0.000 0.936 481 D HN 0.452 nan 8.370 nan 0.000 0.462 482 I N 0.233 120.789 120.570 -0.023 0.000 2.423 482 I HA -0.210 3.961 4.170 0.002 0.000 0.254 482 I C 1.863 177.933 176.117 -0.079 0.000 1.151 482 I CA 0.905 62.176 61.300 -0.049 0.000 1.421 482 I CB 0.091 38.037 38.000 -0.090 0.000 1.079 482 I HN -0.159 nan 8.210 nan 0.000 0.431 483 V N 0.973 120.834 119.914 -0.088 0.000 2.871 483 V HA 0.115 4.236 4.120 0.002 0.000 0.256 483 V C 1.916 177.941 176.094 -0.114 0.000 1.082 483 V CA 1.011 63.243 62.300 -0.112 0.000 1.105 483 V CB -1.302 30.465 31.823 -0.094 0.000 0.713 483 V HN 0.675 nan 8.190 nan 0.000 0.473 484 G N 0.002 108.751 108.800 -0.085 0.000 2.153 484 G HA2 -0.405 3.556 3.960 0.002 0.000 0.252 484 G HA3 -0.405 3.556 3.960 0.002 0.000 0.252 484 G C 0.748 175.558 174.900 -0.148 0.000 0.994 484 G CA 0.889 45.928 45.100 -0.102 0.000 0.698 484 G HN 0.455 nan 8.290 nan 0.000 0.521 485 M N -0.555 118.972 119.600 -0.121 0.000 2.447 485 M HA 0.591 5.072 4.480 0.002 0.000 0.266 485 M C 1.176 177.428 176.300 -0.080 0.000 1.120 485 M CA 1.818 57.044 55.300 -0.123 0.000 1.166 485 M CB 0.243 32.781 32.600 -0.103 0.000 1.349 485 M HN 0.872 nan 8.290 nan 0.000 0.463 486 A N 0.202 122.992 122.820 -0.050 0.000 2.569 486 A HA 0.644 4.965 4.320 0.002 0.000 0.290 486 A C -1.152 176.424 177.584 -0.013 0.000 1.136 486 A CA -0.771 51.248 52.037 -0.030 0.000 0.710 486 A CB 1.001 19.988 19.000 -0.021 0.000 1.303 486 A HN 0.429 nan 8.150 nan 0.000 0.413 487 N N 0.374 119.072 118.700 -0.004 0.000 2.646 487 N HA 0.369 5.110 4.740 0.002 0.000 0.303 487 N C -0.984 174.532 175.510 0.009 0.000 1.921 487 N CA 0.171 53.227 53.050 0.009 0.000 0.872 487 N CB 1.565 40.061 38.487 0.015 0.000 1.327 487 N HN 0.810 nan 8.380 nan 0.000 0.492 488 T N -4.570 109.989 114.554 0.008 0.000 2.903 488 T HA 0.343 4.694 4.350 0.002 0.000 0.299 488 T C 0.998 175.704 174.700 0.011 0.000 1.093 488 T CA -0.602 61.501 62.100 0.006 0.000 1.002 488 T CB 1.640 70.506 68.868 -0.003 0.000 1.127 488 T HN -0.088 nan 8.240 nan 0.000 0.488 489 T N 1.199 115.758 114.554 0.008 0.000 2.746 489 T HA -0.119 4.232 4.350 0.002 0.000 0.267 489 T C 2.015 176.717 174.700 0.004 0.000 1.039 489 T CA 1.434 63.540 62.100 0.009 0.000 1.142 489 T CB -0.311 68.557 68.868 0.000 0.000 0.866 489 T HN 0.534 nan 8.240 nan 0.000 0.444 490 V N 1.320 121.231 119.914 -0.006 0.000 2.407 490 V HA -0.154 3.967 4.120 0.002 0.000 0.248 490 V C 2.278 178.375 176.094 0.005 0.000 1.055 490 V CA 1.873 64.168 62.300 -0.009 0.000 1.049 490 V CB -0.401 31.412 31.823 -0.017 0.000 0.662 490 V HN 0.529 nan 8.190 nan 0.000 0.455 491 E N -0.383 119.822 120.200 0.008 0.000 2.152 491 E HA -0.121 4.230 4.350 0.002 0.000 0.192 491 E C 2.347 178.965 176.600 0.030 0.000 0.983 491 E CA 1.297 57.705 56.400 0.013 0.000 0.818 491 E CB -0.092 29.611 29.700 0.005 0.000 0.758 491 E HN 0.600 nan 8.360 nan 0.000 0.467 492 S N 0.372 116.094 115.700 0.038 0.000 2.368 492 S HA -0.106 4.365 4.470 0.002 0.000 0.224 492 S C 2.195 176.840 174.600 0.076 0.000 1.029 492 S CA 0.664 58.904 58.200 0.066 0.000 0.988 492 S CB -0.072 63.168 63.200 0.066 0.000 0.838 492 S HN 0.055 nan 8.310 nan 0.000 0.462 493 V N 2.741 122.685 119.914 0.050 0.000 2.343 493 V HA -0.193 3.928 4.120 0.002 0.000 0.247 493 V C 2.299 178.426 176.094 0.055 0.000 1.051 493 V CA 1.971 64.303 62.300 0.053 0.000 1.036 493 V CB -0.862 30.977 31.823 0.027 0.000 0.654 493 V HN 0.459 nan 8.190 nan 0.000 0.451 494 N N 0.227 118.947 118.700 0.033 0.000 2.188 494 N HA -0.167 4.573 4.740 0.002 0.000 0.184 494 N C 1.472 176.992 175.510 0.016 0.000 1.018 494 N CA 1.437 54.492 53.050 0.009 0.000 0.858 494 N CB -0.207 38.283 38.487 0.006 0.000 0.989 494 N HN 0.420 nan 8.380 nan 0.000 0.426 495 D N -0.785 119.650 120.400 0.058 0.000 2.117 495 D HA -0.069 4.572 4.640 0.002 0.000 0.197 495 D C 1.820 178.191 176.300 0.119 0.000 0.987 495 D CA 1.375 55.441 54.000 0.110 0.000 0.829 495 D CB -0.810 40.083 40.800 0.155 0.000 0.961 495 D HN 0.453 nan 8.370 nan 0.000 0.460 496 G N 0.598 109.430 108.800 0.053 0.000 2.408 496 G HA2 -0.273 3.688 3.960 0.002 0.000 0.217 496 G HA3 -0.273 3.688 3.960 0.002 0.000 0.217 496 G C 1.550 176.363 174.900 -0.145 0.000 1.150 496 G CA 0.840 45.830 45.100 -0.184 0.000 0.776 496 G HN 0.269 nan 8.290 nan 0.000 0.542 497 K N -0.181 120.162 120.400 -0.095 0.000 2.002 497 K HA -0.147 4.174 4.320 0.002 0.000 0.209 497 K C 2.531 178.980 176.600 -0.251 0.000 1.048 497 K CA 1.682 57.757 56.287 -0.353 0.000 0.930 497 K CB -0.177 32.048 32.500 -0.458 0.000 0.714 497 K HN 0.273 nan 8.250 nan 0.000 0.438 498 Q N 0.467 120.218 119.800 -0.082 0.000 2.061 498 Q HA -0.115 4.226 4.340 0.002 0.000 0.204 498 Q C 1.780 177.900 176.000 0.200 0.000 0.984 498 Q CA 2.172 58.018 55.803 0.072 0.000 0.846 498 Q CB -0.402 28.402 28.738 0.110 0.000 0.902 498 Q HN 0.431 nan 8.270 nan 0.000 0.421 499 A N -0.157 122.747 122.820 0.140 0.000 1.933 499 A HA -0.200 4.121 4.320 0.002 0.000 0.218 499 A C 2.251 179.797 177.584 -0.063 0.000 1.175 499 A CA 2.049 54.169 52.037 0.140 0.000 0.628 499 A CB -1.132 17.991 19.000 0.204 0.000 0.814 499 A HN 0.614 nan 8.150 nan 0.000 0.444 500 S N -1.276 114.364 115.700 -0.099 0.000 2.374 500 S HA -0.263 4.208 4.470 0.002 0.000 0.227 500 S C 1.940 176.521 174.600 -0.032 0.000 1.037 500 S CA 1.376 59.518 58.200 -0.097 0.000 1.024 500 S CB -0.932 62.270 63.200 0.004 0.000 0.861 500 S HN 0.766 nan 8.310 nan 0.000 0.456 501 W N 1.230 122.440 121.300 -0.150 0.000 2.381 501 W HA -0.152 4.509 4.660 0.002 0.000 0.301 501 W C 1.571 177.958 176.519 -0.222 0.000 1.205 501 W CA 1.193 58.424 57.345 -0.189 0.000 1.285 501 W CB -0.360 28.885 29.460 -0.358 0.000 1.133 501 W HN 0.401 nan 8.180 nan 0.000 0.521 502 Y N 0.284 120.558 120.300 -0.043 0.000 2.457 502 Y HA -0.095 4.456 4.550 0.002 0.000 0.292 502 Y C 2.475 178.233 175.900 -0.237 0.000 1.125 502 Y CA 1.162 59.222 58.100 -0.066 0.000 1.254 502 Y CB -0.582 38.018 38.460 0.235 0.000 1.012 502 Y HN -0.160 nan 8.280 nan 0.000 0.555 503 I N -0.862 119.428 120.570 -0.467 0.000 2.286 503 I HA -0.297 3.874 4.170 0.002 0.000 0.245 503 I C 2.477 178.470 176.117 -0.207 0.000 1.104 503 I CA 1.465 62.414 61.300 -0.586 0.000 1.397 503 I CB -0.302 37.316 38.000 -0.638 0.000 1.072 503 I HN 0.262 nan 8.210 nan 0.000 0.417 504 H N 1.659 120.514 119.070 -0.360 0.000 2.319 504 H HA -0.240 4.317 4.556 0.002 0.000 0.299 504 H C 2.220 177.373 175.328 -0.293 0.000 1.092 504 H CA 2.195 58.064 56.048 -0.298 0.000 1.302 504 H CB -0.105 29.461 29.762 -0.327 0.000 1.373 504 H HN 0.113 nan 8.280 nan 0.000 0.497 505 K N -1.003 119.056 120.400 -0.567 0.000 2.032 505 K HA -0.250 4.071 4.320 0.002 0.000 0.209 505 K C 2.232 178.733 176.600 -0.165 0.000 1.048 505 K CA 1.673 57.676 56.287 -0.473 0.000 0.927 505 K CB -0.531 31.763 32.500 -0.344 0.000 0.712 505 K HN 0.411 nan 8.250 nan 0.000 0.441 506 Y N 1.528 121.789 120.300 -0.065 0.000 2.114 506 Y HA -0.204 4.347 4.550 0.001 0.000 0.284 506 Y C 1.835 177.765 175.900 0.050 0.000 1.143 506 Y CA 1.821 59.968 58.100 0.078 0.000 1.135 506 Y CB -0.237 38.385 38.460 0.270 0.000 0.980 506 Y HN 0.032 nan 8.280 nan 0.000 0.499 507 I N 0.076 120.595 120.570 -0.085 0.000 2.179 507 I HA -0.340 3.831 4.170 0.002 0.000 0.242 507 I C 2.425 178.491 176.117 -0.084 0.000 1.088 507 I CA 1.322 62.573 61.300 -0.082 0.000 1.357 507 I CB -0.558 37.455 38.000 0.020 0.000 1.051 507 I HN 0.312 nan 8.210 nan 0.000 0.409 508 Q N 0.686 120.363 119.800 -0.204 0.000 2.096 508 Q HA -0.198 4.143 4.340 0.002 0.000 0.204 508 Q C 2.460 178.389 176.000 -0.119 0.000 0.982 508 Q CA 1.969 57.640 55.803 -0.220 0.000 0.850 508 Q CB -0.542 27.960 28.738 -0.393 0.000 0.901 508 Q HN 0.589 nan 8.270 nan 0.000 0.422 509 A N 1.009 123.730 122.820 -0.166 0.000 1.933 509 A HA -0.194 4.127 4.320 0.002 0.000 0.218 509 A C 2.051 179.546 177.584 -0.147 0.000 1.175 509 A CA 1.211 53.168 52.037 -0.133 0.000 0.628 509 A CB -0.334 18.592 19.000 -0.122 0.000 0.814 509 A HN 0.250 nan 8.150 nan 0.000 0.444 510 Q N -1.456 118.201 119.800 -0.238 0.000 2.226 510 Q HA -0.142 4.199 4.340 0.002 0.000 0.204 510 Q C 0.711 176.571 176.000 -0.234 0.000 0.975 510 Q CA 1.251 56.895 55.803 -0.265 0.000 0.866 510 Q CB -0.281 28.243 28.738 -0.357 0.000 0.915 510 Q HN 0.874 nan 8.270 nan 0.000 0.440 511 Y N -0.614 119.593 120.300 -0.156 0.000 2.493 511 Y HA 0.266 4.817 4.550 0.001 0.000 0.275 511 Y C 1.315 177.163 175.900 -0.086 0.000 1.183 511 Y CA 0.301 58.337 58.100 -0.106 0.000 1.258 511 Y CB 0.464 38.861 38.460 -0.104 0.000 1.108 511 Y HN 0.206 nan 8.280 nan 0.000 0.521 512 G N 0.306 109.110 108.800 0.006 0.000 2.160 512 G HA2 -0.135 3.826 3.960 0.002 0.000 0.251 512 G HA3 -0.135 3.826 3.960 0.002 0.000 0.251 512 G C 0.075 174.977 174.900 0.004 0.000 1.008 512 G CA 0.157 45.254 45.100 -0.005 0.000 0.724 512 G HN 0.637 nan 8.290 nan 0.000 0.514 513 A N -0.416 122.400 122.820 -0.007 0.000 2.355 513 A HA 0.949 5.270 4.320 0.002 0.000 0.324 513 A C 0.420 177.975 177.584 -0.048 0.000 1.117 513 A CA 0.579 52.605 52.037 -0.019 0.000 0.785 513 A CB 1.425 20.410 19.000 -0.025 0.000 1.254 513 A HN 1.833 nan 8.150 nan 0.000 0.453 514 S N 0.192 115.877 115.700 -0.025 0.000 2.713 514 S HA 0.811 5.282 4.470 0.002 0.000 0.283 514 S C 0.016 174.599 174.600 -0.028 0.000 1.161 514 S CA 0.043 58.229 58.200 -0.023 0.000 0.999 514 S CB 1.151 64.359 63.200 0.013 0.000 1.039 514 S HN 1.992 nan 8.310 nan 0.000 0.548 515 V N -1.395 118.511 119.914 -0.014 0.000 3.040 515 V HA 0.810 4.931 4.120 0.002 0.000 0.312 515 V C 0.110 176.306 176.094 0.169 0.000 1.115 515 V CA -0.802 61.522 62.300 0.040 0.000 0.998 515 V CB 1.114 32.843 31.823 -0.157 0.000 1.042 515 V HN 1.256 nan 8.190 nan 0.000 0.433 516 S N 1.844 117.712 115.700 0.280 0.000 2.558 516 S HA 0.357 4.828 4.470 0.002 0.000 0.291 516 S C 1.339 176.107 174.600 0.280 0.000 1.306 516 S CA 0.184 58.535 58.200 0.252 0.000 1.056 516 S CB 0.971 64.316 63.200 0.241 0.000 0.836 516 S HN 2.023 nan 8.310 nan 0.000 0.504 517 A N 2.310 125.234 122.820 0.173 0.000 1.969 517 A HA 0.032 4.352 4.320 0.002 0.000 0.218 517 A C 1.171 178.826 177.584 0.119 0.000 1.169 517 A CA 1.056 53.187 52.037 0.156 0.000 0.635 517 A CB -0.329 18.733 19.000 0.103 0.000 0.810 517 A HN 0.840 nan 8.150 nan 0.000 0.445 518 K N 0.928 121.360 120.400 0.053 0.000 2.234 518 K HA 0.356 4.677 4.320 0.002 0.000 0.277 518 K C -2.906 173.530 176.600 -0.273 0.000 1.038 518 K CA -2.512 53.730 56.287 -0.075 0.000 0.888 518 K CB 0.807 33.271 32.500 -0.060 0.000 1.091 518 K HN -0.024 nan 8.250 nan 0.000 0.467 519 P HA -0.072 nan 4.420 nan 0.000 0.264 519 P C -1.230 175.459 177.300 -1.018 0.000 1.183 519 P CA 0.494 62.676 63.100 -1.529 0.000 0.763 519 P CB 0.383 31.321 31.700 -1.271 0.000 0.807 520 E N 2.618 122.114 120.200 -1.173 0.000 3.898 520 E HA 0.190 4.541 4.350 0.002 0.000 0.219 520 E C -0.454 176.103 176.600 -0.071 0.000 1.207 520 E CA -0.288 55.911 56.400 -0.335 0.000 1.240 520 E CB 0.265 29.943 29.700 -0.036 0.000 1.239 520 E HN 0.369 nan 8.360 nan 0.000 0.422 521 L N 2.280 123.436 121.223 -0.112 0.000 2.410 521 L HA 0.243 4.584 4.340 0.002 0.000 0.273 521 L C -1.899 175.070 176.870 0.166 0.000 1.152 521 L CA -1.631 53.275 54.840 0.110 0.000 0.855 521 L CB -0.110 41.957 42.059 0.014 0.000 1.129 521 L HN 0.022 nan 8.230 nan 0.000 0.463 522 P HA 0.185 nan 4.420 nan 0.000 0.272 522 P C -0.265 177.190 177.300 0.259 0.000 1.230 522 P CA -0.375 62.873 63.100 0.247 0.000 0.788 522 P CB 0.637 32.480 31.700 0.238 0.000 0.949 523 L N 0.617 121.967 121.223 0.211 0.000 2.543 523 L HA 0.362 4.703 4.340 0.002 0.000 0.231 523 L C 0.578 177.426 176.870 -0.036 0.000 1.194 523 L CA -0.601 54.247 54.840 0.013 0.000 0.823 523 L CB -0.009 41.910 42.059 -0.233 0.000 1.374 523 L HN 0.292 nan 8.230 nan 0.000 0.507 524 F N 0.018 119.773 119.950 -0.325 0.000 2.408 524 F HA 0.445 4.973 4.527 0.002 0.000 0.344 524 F C -0.851 174.685 175.800 -0.439 0.000 1.112 524 F CA -0.375 57.478 58.000 -0.245 0.000 1.096 524 F CB 0.483 39.378 39.000 -0.175 0.000 1.129 524 F HN 0.043 nan 8.300 nan 0.000 0.486 525 Y N 2.449 122.390 120.300 -0.597 0.000 2.536 525 Y HA 0.623 5.174 4.550 0.002 0.000 0.347 525 Y C 0.210 175.786 175.900 -0.539 0.000 1.000 525 Y CA -0.730 57.127 58.100 -0.405 0.000 1.051 525 Y CB 2.257 40.589 38.460 -0.213 0.000 1.259 525 Y HN 0.685 nan 8.280 nan 0.000 0.468 526 T N -2.532 111.984 114.554 -0.064 0.000 2.812 526 T HA 0.396 4.747 4.350 0.002 0.000 0.294 526 T C -2.668 171.998 174.700 -0.056 0.000 1.159 526 T CA -2.384 59.680 62.100 -0.060 0.000 1.008 526 T CB 1.921 70.853 68.868 0.107 0.000 1.289 526 T HN 0.187 nan 8.240 nan 0.000 0.514 527 P HA -0.004 nan 4.420 nan 0.000 0.221 527 P C 1.667 178.823 177.300 -0.240 0.000 1.145 527 P CA 0.421 63.449 63.100 -0.120 0.000 0.795 527 P CB -0.128 31.550 31.700 -0.036 0.000 0.775 528 V N 0.448 120.054 119.914 -0.513 0.000 2.392 528 V HA -0.238 3.883 4.120 0.002 0.000 0.249 528 V C 1.715 177.692 176.094 -0.196 0.000 1.059 528 V CA 2.015 63.959 62.300 -0.593 0.000 1.051 528 V CB -1.181 30.013 31.823 -1.049 0.000 0.658 528 V HN 0.162 nan 8.190 nan 0.000 0.455 529 D N 0.080 120.455 120.400 -0.041 0.000 2.310 529 D HA -0.067 4.574 4.640 0.002 0.000 0.212 529 D C 1.832 178.168 176.300 0.061 0.000 0.965 529 D CA 0.921 54.972 54.000 0.085 0.000 0.879 529 D CB -0.037 40.888 40.800 0.210 0.000 0.921 529 D HN 0.397 nan 8.370 nan 0.000 0.510 530 L N 0.305 121.542 121.223 0.024 0.000 2.558 530 L HA 0.065 4.406 4.340 0.002 0.000 0.225 530 L C 0.552 177.446 176.870 0.042 0.000 1.128 530 L CA -0.096 54.761 54.840 0.028 0.000 0.868 530 L CB 0.225 42.295 42.059 0.017 0.000 1.006 530 L HN -0.222 nan 8.230 nan 0.000 0.454 531 V N 1.159 121.102 119.914 0.048 0.000 2.599 531 V HA -0.091 4.030 4.120 0.002 0.000 0.300 531 V C 0.359 176.488 176.094 0.058 0.000 1.034 531 V CA 0.146 62.485 62.300 0.065 0.000 1.115 531 V CB 0.689 32.558 31.823 0.077 0.000 0.934 531 V HN 0.129 nan 8.190 nan 0.000 0.485 532 D N 5.125 125.556 120.400 0.051 0.000 2.316 532 D HA 0.216 4.857 4.640 0.002 0.000 0.245 532 D C 0.545 176.875 176.300 0.050 0.000 1.171 532 D CA -0.311 53.718 54.000 0.048 0.000 0.856 532 D CB 1.081 41.903 40.800 0.037 0.000 1.090 532 D HN 0.594 nan 8.370 nan 0.000 0.476 533 I N 1.008 121.615 120.570 0.062 0.000 3.816 533 I HA 0.200 4.371 4.170 0.002 0.000 0.334 533 I C 0.401 176.551 176.117 0.055 0.000 1.551 533 I CA -0.736 60.600 61.300 0.060 0.000 1.153 533 I CB 0.115 38.173 38.000 0.096 0.000 1.197 533 I HN 0.063 nan 8.210 nan 0.000 0.439 534 S N 0.818 116.552 115.700 0.057 0.000 2.632 534 S HA 0.690 5.161 4.470 0.002 0.000 0.267 534 S C -0.316 174.314 174.600 0.050 0.000 1.276 534 S CA -0.476 57.767 58.200 0.072 0.000 0.998 534 S CB 2.491 65.733 63.200 0.070 0.000 0.953 534 S HN 0.286 nan 8.310 nan 0.000 0.547 535 V N 0.463 120.424 119.914 0.078 0.000 3.048 535 V HA 0.565 4.686 4.120 0.002 0.000 0.303 535 V C -1.464 174.704 176.094 0.123 0.000 1.214 535 V CA -0.672 61.652 62.300 0.040 0.000 0.984 535 V CB 2.042 33.828 31.823 -0.063 0.000 1.054 535 V HN 1.131 nan 8.190 nan 0.000 0.430 536 E N 5.404 125.652 120.200 0.080 0.000 2.183 536 E HA 0.685 5.036 4.350 0.002 0.000 0.271 536 E C -1.164 175.485 176.600 0.081 0.000 0.919 536 E CA -0.739 55.733 56.400 0.120 0.000 0.781 536 E CB 1.775 31.514 29.700 0.065 0.000 1.140 536 E HN 0.759 nan 8.360 nan 0.000 0.402 537 M N 3.551 123.243 119.600 0.153 0.000 2.277 537 M HA 0.406 4.887 4.480 0.002 0.000 0.282 537 M C -1.015 175.369 176.300 0.139 0.000 1.074 537 M CA -0.014 55.324 55.300 0.065 0.000 0.954 537 M CB 1.700 34.239 32.600 -0.101 0.000 1.672 537 M HN 0.751 nan 8.290 nan 0.000 0.471 538 A N 2.948 125.821 122.820 0.089 0.000 2.783 538 A HA -0.034 4.287 4.320 0.002 0.000 0.292 538 A C 1.175 178.820 177.584 0.101 0.000 1.495 538 A CA 1.722 53.833 52.037 0.123 0.000 0.787 538 A CB -2.617 16.550 19.000 0.279 0.000 1.017 538 A HN 2.505 nan 8.150 nan 0.000 0.516 539 G N -3.088 105.756 108.800 0.072 0.000 2.184 539 G HA2 -0.230 3.731 3.960 0.002 0.000 0.264 539 G HA3 -0.230 3.731 3.960 0.002 0.000 0.264 539 G C 0.112 175.031 174.900 0.033 0.000 0.975 539 G CA 0.632 45.759 45.100 0.045 0.000 0.642 539 G HN 1.488 nan 8.290 nan 0.000 0.536 540 L N 0.157 121.415 121.223 0.059 0.000 2.322 540 L HA 0.547 4.887 4.340 0.002 0.000 0.279 540 L C 0.421 177.260 176.870 -0.052 0.000 1.036 540 L CA -0.808 54.002 54.840 -0.049 0.000 0.807 540 L CB 1.485 43.474 42.059 -0.116 0.000 1.226 540 L HN -0.032 nan 8.230 nan 0.000 0.433 541 K N 3.110 123.413 120.400 -0.162 0.000 2.263 541 K HA 0.482 4.803 4.320 0.002 0.000 0.272 541 K C -1.338 175.146 176.600 -0.193 0.000 1.033 541 K CA -0.360 55.886 56.287 -0.068 0.000 0.884 541 K CB 1.197 33.673 32.500 -0.040 0.000 1.107 541 K HN 0.209 nan 8.250 nan 0.000 0.460 542 F N 3.151 123.088 119.950 -0.020 0.000 2.427 542 F HA 0.239 4.767 4.527 0.002 0.000 0.346 542 F C 1.671 177.489 175.800 0.030 0.000 1.120 542 F CA -1.043 56.962 58.000 0.008 0.000 1.033 542 F CB 0.799 39.788 39.000 -0.018 0.000 1.126 542 F HN 0.471 nan 8.300 nan 0.000 0.462 543 I N 0.090 120.773 120.570 0.188 0.000 2.493 543 I HA -0.043 4.128 4.170 0.002 0.000 0.254 543 I C -0.141 176.074 176.117 0.163 0.000 1.160 543 I CA 0.729 62.111 61.300 0.136 0.000 1.445 543 I CB -0.384 37.673 38.000 0.094 0.000 1.086 543 I HN 0.646 nan 8.210 nan 0.000 0.433 544 N N -0.620 118.218 118.700 0.230 0.000 2.591 544 N HA 0.360 5.101 4.740 0.002 0.000 0.263 544 N C -2.577 173.050 175.510 0.195 0.000 1.308 544 N CA -1.698 51.472 53.050 0.201 0.000 0.837 544 N CB 0.945 39.586 38.487 0.256 0.000 1.548 544 N HN -0.286 nan 8.380 nan 0.000 0.493 545 P HA 0.104 nan 4.420 nan 0.000 0.245 545 P C -0.844 176.350 177.300 -0.177 0.000 1.212 545 P CA 0.426 63.376 63.100 -0.249 0.000 0.774 545 P CB -0.156 31.252 31.700 -0.487 0.000 0.999 546 F N 0.773 120.870 119.950 0.245 0.000 2.408 546 F HA 0.635 5.163 4.527 0.002 0.000 0.344 546 F C 1.322 177.197 175.800 0.126 0.000 1.112 546 F CA -0.297 57.820 58.000 0.196 0.000 1.096 546 F CB 1.640 40.657 39.000 0.028 0.000 1.129 546 F HN -0.139 nan 8.300 nan 0.000 0.486 547 G N 2.570 111.305 108.800 -0.109 0.000 2.690 547 G HA2 0.629 4.590 3.960 0.002 0.000 0.291 547 G HA3 0.629 4.590 3.960 0.002 0.000 0.291 547 G C -1.759 172.867 174.900 -0.456 0.000 1.403 547 G CA -0.996 43.525 45.100 -0.965 0.000 0.864 547 G HN 0.522 nan 8.290 nan 0.000 0.480 548 L N 1.339 122.232 121.223 -0.550 0.000 2.290 548 L HA 0.539 4.880 4.340 0.002 0.000 0.284 548 L C 1.137 177.871 176.870 -0.228 0.000 1.078 548 L CA -0.649 53.906 54.840 -0.475 0.000 0.815 548 L CB 1.298 43.012 42.059 -0.574 0.000 1.162 548 L HN 0.682 nan 8.230 nan 0.000 0.435 549 A N 2.701 125.444 122.820 -0.128 0.000 2.346 549 A HA 0.209 4.530 4.320 0.002 0.000 0.252 549 A C 0.465 178.024 177.584 -0.042 0.000 1.089 549 A CA -0.252 51.764 52.037 -0.034 0.000 0.797 549 A CB 0.562 19.552 19.000 -0.017 0.000 1.047 549 A HN 0.647 nan 8.150 nan 0.000 0.494 550 S N 0.016 115.709 115.700 -0.011 0.000 2.466 550 S HA 0.498 4.969 4.470 0.002 0.000 0.286 550 S C 0.150 174.729 174.600 -0.035 0.000 1.221 550 S CA 0.529 58.708 58.200 -0.035 0.000 1.091 550 S CB -1.028 62.157 63.200 -0.025 0.000 0.956 550 S HN 2.029 nan 8.310 nan 0.000 0.501 551 A N 4.133 126.928 122.820 -0.041 0.000 2.526 551 A HA 0.740 5.061 4.320 0.002 0.000 0.306 551 A C 0.839 178.405 177.584 -0.029 0.000 1.088 551 A CA -0.103 51.912 52.037 -0.036 0.000 0.600 551 A CB -0.602 18.369 19.000 -0.048 0.000 1.423 551 A HN 1.274 nan 8.150 nan 0.000 0.582 552 A N -0.533 122.255 122.820 -0.053 0.000 1.948 552 A HA 0.070 4.391 4.320 0.002 0.000 0.220 552 A C -0.517 177.042 177.584 -0.042 0.000 1.177 552 A CA 2.612 54.616 52.037 -0.055 0.000 0.636 552 A CB -1.697 17.237 19.000 -0.111 0.000 0.815 552 A HN 0.468 nan 8.150 nan 0.000 0.449 553 P HA -0.028 nan 4.420 nan 0.000 0.230 553 P C 0.724 178.071 177.300 0.078 0.000 1.158 553 P CA 1.648 64.745 63.100 -0.006 0.000 0.769 553 P CB 0.009 31.698 31.700 -0.020 0.000 0.807 554 T N -6.631 107.947 114.554 0.040 0.000 3.293 554 T HA 0.180 4.531 4.350 0.002 0.000 0.276 554 T C 1.146 175.986 174.700 0.234 0.000 1.003 554 T CA -0.204 61.949 62.100 0.088 0.000 0.916 554 T CB -0.944 67.920 68.868 -0.006 0.000 1.134 554 T HN -0.171 nan 8.240 nan 0.000 0.530 555 T N 2.224 116.889 114.554 0.185 0.000 2.759 555 T HA 0.013 4.364 4.350 0.002 0.000 0.269 555 T C 0.699 175.595 174.700 0.326 0.000 1.042 555 T CA 1.046 63.279 62.100 0.222 0.000 1.140 555 T CB -0.049 68.873 68.868 0.091 0.000 0.864 555 T HN 0.507 nan 8.240 nan 0.000 0.455 556 S N -0.107 115.743 115.700 0.249 0.000 2.548 556 S HA 0.362 4.832 4.470 0.002 0.000 0.286 556 S C 1.181 175.875 174.600 0.157 0.000 1.098 556 S CA -0.648 57.644 58.200 0.153 0.000 0.930 556 S CB 2.027 65.263 63.200 0.059 0.000 1.070 556 S HN 0.379 nan 8.310 nan 0.000 0.480 557 S N 1.315 117.012 115.700 -0.006 0.000 2.423 557 S HA -0.134 4.337 4.470 0.002 0.000 0.231 557 S C 1.900 176.472 174.600 -0.047 0.000 1.014 557 S CA 1.263 59.440 58.200 -0.037 0.000 0.965 557 S CB -0.651 62.383 63.200 -0.277 0.000 0.785 557 S HN 0.790 nan 8.310 nan 0.000 0.495 558 S N 2.063 117.753 115.700 -0.017 0.000 2.419 558 S HA -0.019 4.452 4.470 0.002 0.000 0.233 558 S C 1.864 176.462 174.600 -0.003 0.000 1.016 558 S CA 1.162 59.361 58.200 -0.003 0.000 0.974 558 S CB -0.710 62.503 63.200 0.021 0.000 0.786 558 S HN 0.531 nan 8.310 nan 0.000 0.492 559 M N 0.865 120.480 119.600 0.024 0.000 2.156 559 M HA 0.174 4.655 4.480 0.002 0.000 0.264 559 M C 2.134 178.318 176.300 -0.194 0.000 1.067 559 M CA 1.254 56.608 55.300 0.090 0.000 1.131 559 M CB -0.531 32.191 32.600 0.204 0.000 1.368 559 M HN 0.262 nan 8.290 nan 0.000 0.416 560 I N -0.189 120.210 120.570 -0.285 0.000 2.286 560 I HA -0.306 3.865 4.170 0.002 0.000 0.248 560 I C 2.683 178.293 176.117 -0.845 0.000 1.115 560 I CA 1.256 62.164 61.300 -0.652 0.000 1.392 560 I CB -0.505 37.188 38.000 -0.512 0.000 1.065 560 I HN 0.328 nan 8.210 nan 0.000 0.418 561 R N 1.409 121.634 120.500 -0.459 0.000 2.083 561 R HA -0.182 4.159 4.340 0.002 0.000 0.237 561 R C 2.446 178.561 176.300 -0.309 0.000 1.137 561 R CA 1.620 57.515 56.100 -0.341 0.000 0.951 561 R CB -0.158 30.143 30.300 0.002 0.000 0.851 561 R HN 0.262 nan 8.270 nan 0.000 0.434 562 R N -0.191 120.191 120.500 -0.196 0.000 2.115 562 R HA -0.056 4.285 4.340 0.002 0.000 0.230 562 R C 2.320 178.477 176.300 -0.238 0.000 1.111 562 R CA 1.156 57.204 56.100 -0.087 0.000 0.976 562 R CB -0.253 30.099 30.300 0.087 0.000 0.870 562 R HN 0.310 nan 8.270 nan 0.000 0.445 563 A N 0.827 123.231 122.820 -0.693 0.000 1.898 563 A HA -0.134 4.187 4.320 0.002 0.000 0.216 563 A C 1.741 179.251 177.584 -0.124 0.000 1.181 563 A CA 1.095 52.638 52.037 -0.824 0.000 0.620 563 A CB -0.446 17.622 19.000 -1.553 0.000 0.819 563 A HN 0.145 nan 8.150 nan 0.000 0.442 564 F N 0.368 120.086 119.950 -0.387 0.000 2.186 564 F HA -0.055 4.473 4.527 0.002 0.000 0.299 564 F C 2.327 178.012 175.800 -0.193 0.000 1.090 564 F CA 1.055 58.826 58.000 -0.381 0.000 1.307 564 F CB -1.025 37.365 39.000 -1.017 0.000 1.019 564 F HN 0.363 nan 8.300 nan 0.000 0.489 565 E N -0.171 120.051 120.200 0.036 0.000 2.153 565 E HA -0.142 4.209 4.350 0.002 0.000 0.194 565 E C 2.316 179.006 176.600 0.149 0.000 0.988 565 E CA 0.965 57.471 56.400 0.177 0.000 0.811 565 E CB -0.224 29.584 29.700 0.180 0.000 0.746 565 E HN 0.306 nan 8.360 nan 0.000 0.466 566 A N -0.040 122.862 122.820 0.136 0.000 2.014 566 A HA 0.122 4.443 4.320 0.002 0.000 0.218 566 A C 1.846 179.487 177.584 0.095 0.000 1.163 566 A CA 1.286 53.407 52.037 0.140 0.000 0.652 566 A CB -0.048 19.084 19.000 0.220 0.000 0.808 566 A HN 0.373 nan 8.150 nan 0.000 0.449 567 G N -3.660 105.222 108.800 0.137 0.000 2.198 567 G HA2 -0.168 3.793 3.960 0.002 0.000 0.156 567 G HA3 -0.168 3.793 3.960 0.002 0.000 0.156 567 G C -0.246 174.704 174.900 0.084 0.000 1.012 567 G CA -0.355 44.792 45.100 0.079 0.000 0.692 567 G HN 0.297 nan 8.290 nan 0.000 0.492 568 W N 1.004 122.354 121.300 0.082 0.000 2.223 568 W HA 0.461 5.122 4.660 0.002 0.000 0.334 568 W C 1.590 178.219 176.519 0.183 0.000 1.334 568 W CA 1.108 58.527 57.345 0.124 0.000 1.246 568 W CB 0.910 30.396 29.460 0.043 0.000 1.184 568 W HN 0.201 nan 8.180 nan 0.000 0.563 569 G N 2.585 111.637 108.800 0.421 0.000 2.408 569 G HA2 -0.010 3.951 3.960 0.002 0.000 0.217 569 G HA3 -0.010 3.951 3.960 0.002 0.000 0.217 569 G C -0.123 175.093 174.900 0.526 0.000 1.150 569 G CA 0.859 46.214 45.100 0.426 0.000 0.776 569 G HN 0.525 nan 8.290 nan 0.000 0.542 570 F N -2.548 117.685 119.950 0.472 0.000 2.779 570 F HA 0.800 5.328 4.527 0.002 0.000 0.316 570 F C -0.735 175.384 175.800 0.532 0.000 1.164 570 F CA -1.328 56.953 58.000 0.468 0.000 0.924 570 F CB 1.238 40.533 39.000 0.492 0.000 1.348 570 F HN 0.238 nan 8.300 nan 0.000 0.467 571 A N 1.721 124.868 122.820 0.544 0.000 2.589 571 A HA 0.691 5.012 4.320 0.002 0.000 0.296 571 A C -2.342 175.392 177.584 0.250 0.000 1.062 571 A CA -0.738 51.391 52.037 0.154 0.000 0.686 571 A CB 1.714 20.629 19.000 -0.141 0.000 1.282 571 A HN 0.781 nan 8.150 nan 0.000 0.404 572 L N 2.063 123.355 121.223 0.115 0.000 2.334 572 L HA 0.593 4.934 4.340 0.002 0.000 0.275 572 L C 1.113 177.973 176.870 -0.018 0.000 1.036 572 L CA -0.039 54.867 54.840 0.111 0.000 0.807 572 L CB 1.589 43.706 42.059 0.097 0.000 1.231 572 L HN 1.058 nan 8.230 nan 0.000 0.438 573 T N -0.113 114.394 114.554 -0.078 0.000 2.849 573 T HA 0.270 4.621 4.350 0.002 0.000 0.284 573 T C 0.430 174.860 174.700 -0.449 0.000 1.004 573 T CA -0.788 61.073 62.100 -0.399 0.000 1.021 573 T CB 1.285 69.800 68.868 -0.588 0.000 1.013 573 T HN 0.255 nan 8.240 nan 0.000 0.527 574 K N 1.614 121.621 120.400 -0.655 0.000 2.414 574 K HA 0.132 4.453 4.320 0.002 0.000 0.272 574 K C 0.339 176.731 176.600 -0.347 0.000 0.993 574 K CA 0.086 56.191 56.287 -0.304 0.000 0.964 574 K CB 0.451 32.918 32.500 -0.055 0.000 0.925 574 K HN 0.790 nan 8.250 nan 0.000 0.487 575 T N 4.849 119.305 114.554 -0.163 0.000 2.871 575 T HA 0.125 4.476 4.350 0.002 0.000 0.296 575 T C 0.135 174.785 174.700 -0.084 0.000 0.998 575 T CA 0.293 62.297 62.100 -0.160 0.000 1.162 575 T CB -0.370 68.443 68.868 -0.091 0.000 0.947 575 T HN 0.374 nan 8.240 nan 0.000 0.536 576 F N 0.350 120.178 119.950 -0.202 0.000 2.611 576 F HA 0.904 5.432 4.527 0.002 0.000 0.324 576 F C -0.066 175.701 175.800 -0.055 0.000 1.061 576 F CA -1.149 56.799 58.000 -0.087 0.000 0.954 576 F CB 1.397 40.377 39.000 -0.033 0.000 1.301 576 F HN 0.416 nan 8.300 nan 0.000 0.482 577 S N 0.467 116.281 115.700 0.189 0.000 2.732 577 S HA 0.621 5.092 4.470 0.002 0.000 0.293 577 S C -0.802 173.865 174.600 0.112 0.000 1.159 577 S CA -0.989 57.224 58.200 0.022 0.000 0.847 577 S CB 1.601 64.769 63.200 -0.053 0.000 1.169 577 S HN 0.692 nan 8.310 nan 0.000 0.501 578 L N 1.690 122.918 121.223 0.009 0.000 2.473 578 L HA 0.147 4.488 4.340 0.002 0.000 0.268 578 L C 0.962 177.853 176.870 0.035 0.000 1.215 578 L CA -0.299 54.557 54.840 0.026 0.000 0.823 578 L CB 0.187 42.226 42.059 -0.034 0.000 1.099 578 L HN 0.642 nan 8.230 nan 0.000 0.483 579 D N 0.639 121.062 120.400 0.039 0.000 2.158 579 D HA -0.202 4.439 4.640 0.002 0.000 0.197 579 D C 1.872 178.180 176.300 0.014 0.000 0.995 579 D CA 1.648 55.667 54.000 0.031 0.000 0.846 579 D CB -0.029 40.785 40.800 0.024 0.000 0.941 579 D HN 0.549 nan 8.370 nan 0.000 0.456 580 K N 0.193 120.594 120.400 0.001 0.000 2.362 580 K HA -0.084 4.236 4.320 0.002 0.000 0.200 580 K C 0.338 176.933 176.600 -0.007 0.000 1.046 580 K CA 1.057 57.341 56.287 -0.006 0.000 0.952 580 K CB 0.169 32.660 32.500 -0.015 0.000 0.753 580 K HN -0.016 nan 8.250 nan 0.000 0.466 581 D N 1.316 121.711 120.400 -0.009 0.000 2.388 581 D HA 0.114 4.755 4.640 0.002 0.000 0.221 581 D C 0.316 176.620 176.300 0.007 0.000 1.133 581 D CA -0.265 53.728 54.000 -0.011 0.000 0.831 581 D CB 0.070 40.849 40.800 -0.036 0.000 0.962 581 D HN 0.285 nan 8.370 nan 0.000 0.502 582 I N 1.847 122.426 120.570 0.015 0.000 2.880 582 I HA -0.100 4.071 4.170 0.002 0.000 0.296 582 I C 0.069 176.196 176.117 0.016 0.000 1.220 582 I CA 0.188 61.502 61.300 0.023 0.000 1.435 582 I CB 0.433 38.444 38.000 0.018 0.000 1.339 582 I HN -0.204 nan 8.210 nan 0.000 0.583 583 V N 3.462 123.388 119.914 0.020 0.000 3.126 583 V HA 0.725 4.846 4.120 0.002 0.000 0.314 583 V C -0.446 175.653 176.094 0.008 0.000 1.138 583 V CA -0.463 61.845 62.300 0.013 0.000 1.034 583 V CB 1.991 33.823 31.823 0.015 0.000 1.075 583 V HN 0.746 nan 8.190 nan 0.000 0.442 584 T N 2.434 116.989 114.554 0.002 0.000 2.937 584 T HA 0.454 4.805 4.350 0.002 0.000 0.297 584 T C -0.515 174.181 174.700 -0.007 0.000 0.991 584 T CA -0.411 61.687 62.100 -0.004 0.000 0.990 584 T CB 0.843 69.707 68.868 -0.007 0.000 0.991 584 T HN 0.816 nan 8.240 nan 0.000 0.440 585 N N 1.710 120.405 118.700 -0.009 0.000 2.444 585 N HA 0.404 5.145 4.740 0.002 0.000 0.255 585 N C 0.335 175.832 175.510 -0.021 0.000 1.255 585 N CA -0.223 52.818 53.050 -0.015 0.000 0.933 585 N CB 1.166 39.644 38.487 -0.016 0.000 1.143 585 N HN 0.530 nan 8.380 nan 0.000 0.453 586 V N -1.844 118.052 119.914 -0.030 0.000 3.193 586 V HA 0.880 5.001 4.120 0.002 0.000 0.320 586 V C 0.028 176.094 176.094 -0.046 0.000 1.112 586 V CA -0.792 61.487 62.300 -0.035 0.000 1.026 586 V CB 1.542 33.339 31.823 -0.042 0.000 1.128 586 V HN 0.779 nan 8.190 nan 0.000 0.452 587 S N 0.414 116.085 115.700 -0.048 0.000 2.536 587 S HA 0.716 5.187 4.470 0.002 0.000 0.271 587 S C -2.891 171.670 174.600 -0.065 0.000 1.134 587 S CA -0.998 57.168 58.200 -0.058 0.000 0.897 587 S CB 1.533 64.714 63.200 -0.031 0.000 1.094 587 S HN 1.051 nan 8.310 nan 0.000 0.473 588 P HA 0.394 nan 4.420 nan 0.000 0.272 588 P C -0.201 176.970 177.300 -0.215 0.000 1.230 588 P CA -0.534 62.458 63.100 -0.179 0.000 0.788 588 P CB 0.722 32.217 31.700 -0.341 0.000 0.949 589 R N 0.338 120.734 120.500 -0.174 0.000 2.551 589 R HA 0.402 4.743 4.340 0.002 0.000 0.316 589 R C 0.089 176.316 176.300 -0.122 0.000 0.934 589 R CA -0.184 55.828 56.100 -0.146 0.000 1.117 589 R CB 0.171 30.418 30.300 -0.088 0.000 1.626 589 R HN 0.275 nan 8.270 nan 0.000 0.513 590 I N 2.811 123.318 120.570 -0.106 0.000 2.478 590 I HA 0.400 4.571 4.170 0.002 0.000 0.287 590 I C -0.527 175.600 176.117 0.017 0.000 1.042 590 I CA -1.422 59.856 61.300 -0.037 0.000 1.067 590 I CB 2.286 40.262 38.000 -0.039 0.000 1.233 590 I HN -0.053 nan 8.210 nan 0.000 0.431 591 V N 3.162 123.119 119.914 0.071 0.000 3.001 591 V HA 0.684 4.805 4.120 0.002 0.000 0.314 591 V C -0.138 176.126 176.094 0.284 0.000 1.099 591 V CA -1.062 61.337 62.300 0.164 0.000 0.989 591 V CB 1.855 33.673 31.823 -0.008 0.000 1.040 591 V HN 0.882 nan 8.190 nan 0.000 0.434 592 R N 1.885 122.538 120.500 0.255 0.000 2.679 592 R HA 0.634 4.975 4.340 0.002 0.000 0.269 592 R C 0.372 176.641 176.300 -0.053 0.000 1.076 592 R CA 0.147 56.252 56.100 0.009 0.000 1.160 592 R CB 0.309 30.604 30.300 -0.008 0.000 1.054 592 R HN 1.152 nan 8.270 nan 0.000 0.507 593 G N -0.328 108.332 108.800 -0.233 0.000 2.476 593 G HA2 0.247 4.208 3.960 0.002 0.000 0.269 593 G HA3 0.247 4.208 3.960 0.002 0.000 0.269 593 G C 0.434 175.260 174.900 -0.124 0.000 1.195 593 G CA -0.466 44.550 45.100 -0.140 0.000 0.843 593 G HN 0.755 nan 8.290 nan 0.000 0.545 594 T N -2.637 111.876 114.554 -0.068 0.000 3.129 594 T HA 0.054 4.405 4.350 0.002 0.000 0.267 594 T C 1.893 176.552 174.700 -0.068 0.000 1.018 594 T CA 0.621 62.678 62.100 -0.070 0.000 0.903 594 T CB -0.011 68.847 68.868 -0.017 0.000 1.067 594 T HN 0.540 nan 8.240 nan 0.000 0.549 595 T N 0.381 114.893 114.554 -0.071 0.000 3.025 595 T HA -0.036 4.315 4.350 0.002 0.000 0.270 595 T C 1.502 176.165 174.700 -0.061 0.000 1.126 595 T CA 0.931 62.998 62.100 -0.055 0.000 1.105 595 T CB -0.499 68.340 68.868 -0.048 0.000 0.884 595 T HN 0.580 nan 8.240 nan 0.000 0.522 596 S N -0.495 115.153 115.700 -0.086 0.000 2.977 596 S HA 0.614 5.085 4.470 0.002 0.000 0.250 596 S C 0.819 175.363 174.600 -0.094 0.000 1.005 596 S CA -0.240 57.912 58.200 -0.080 0.000 1.081 596 S CB -0.013 63.140 63.200 -0.079 0.000 1.018 596 S HN 1.206 nan 8.310 nan 0.000 0.539 597 G N 2.820 111.562 108.800 -0.097 0.000 2.760 597 G HA2 -0.108 3.853 3.960 0.002 0.000 0.246 597 G HA3 -0.108 3.853 3.960 0.002 0.000 0.246 597 G C -2.758 172.041 174.900 -0.168 0.000 1.359 597 G CA -0.478 44.563 45.100 -0.098 0.000 0.861 597 G HN 0.340 nan 8.290 nan 0.000 0.541 598 P HA 0.250 nan 4.420 nan 0.000 0.232 598 P C -0.315 176.857 177.300 -0.213 0.000 1.738 598 P CA 0.294 63.286 63.100 -0.178 0.000 0.948 598 P CB -0.106 31.634 31.700 0.068 0.000 1.943 599 M N 2.008 121.386 119.600 -0.370 0.000 2.114 599 M HA 0.325 4.806 4.480 0.002 0.000 0.332 599 M C -0.407 175.669 176.300 -0.374 0.000 1.014 599 M CA -0.768 54.406 55.300 -0.209 0.000 0.956 599 M CB 0.958 33.481 32.600 -0.129 0.000 1.551 599 M HN 0.024 nan 8.290 nan 0.000 0.427 600 Y N 0.410 120.696 120.300 -0.024 0.000 2.534 600 Y HA 0.784 5.335 4.550 0.002 0.000 0.329 600 Y C 1.190 177.084 175.900 -0.010 0.000 1.154 600 Y CA 0.267 58.356 58.100 -0.018 0.000 1.192 600 Y CB 1.434 39.885 38.460 -0.015 0.000 1.275 600 Y HN 0.932 nan 8.280 nan 0.000 0.491 601 G N 0.681 109.574 108.800 0.156 0.000 2.513 601 G HA2 -0.160 3.801 3.960 0.002 0.000 0.227 601 G HA3 -0.160 3.801 3.960 0.002 0.000 0.227 601 G C -2.748 172.188 174.900 0.061 0.000 1.176 601 G CA -0.826 44.333 45.100 0.097 0.000 0.967 601 G HN 0.608 nan 8.290 nan 0.000 0.587 602 P HA 0.378 nan 4.420 nan 0.000 0.269 602 P C 0.842 178.157 177.300 0.025 0.000 1.215 602 P CA 1.895 65.020 63.100 0.042 0.000 0.780 602 P CB 0.320 32.038 31.700 0.030 0.000 0.898 603 G N 0.745 109.569 108.800 0.039 0.000 2.295 603 G HA2 -0.201 3.760 3.960 0.002 0.000 0.287 603 G HA3 -0.201 3.760 3.960 0.002 0.000 0.287 603 G C 0.150 175.027 174.900 -0.039 0.000 1.055 603 G CA -0.303 44.809 45.100 0.021 0.000 0.922 603 G HN 0.602 nan 8.290 nan 0.000 0.503 604 Q N 0.156 119.901 119.800 -0.091 0.000 2.300 604 Q HA 0.254 4.595 4.340 0.002 0.000 0.280 604 Q C 1.834 177.694 176.000 -0.233 0.000 1.033 604 Q CA 0.745 56.392 55.803 -0.260 0.000 0.903 604 Q CB 0.978 29.375 28.738 -0.568 0.000 1.195 604 Q HN 0.740 nan 8.270 nan 0.000 0.386 605 S N 0.367 115.948 115.700 -0.199 0.000 2.555 605 S HA 0.034 4.505 4.470 0.002 0.000 0.230 605 S C 0.625 175.155 174.600 -0.116 0.000 0.978 605 S CA 0.411 58.541 58.200 -0.117 0.000 0.934 605 S CB 0.046 63.194 63.200 -0.086 0.000 0.766 605 S HN 0.637 nan 8.310 nan 0.000 0.533 606 S N -1.053 114.498 115.700 -0.248 0.000 2.656 606 S HA 0.712 5.183 4.470 0.002 0.000 0.265 606 S C -1.604 172.752 174.600 -0.406 0.000 1.110 606 S CA -1.155 56.947 58.200 -0.165 0.000 0.821 606 S CB 0.188 63.355 63.200 -0.056 0.000 1.099 606 S HN 0.183 nan 8.310 nan 0.000 0.471 607 F N -0.103 119.861 119.950 0.023 0.000 2.626 607 F HA 0.806 5.334 4.527 0.002 0.000 0.311 607 F C -0.799 175.011 175.800 0.017 0.000 1.088 607 F CA -0.879 57.135 58.000 0.022 0.000 0.949 607 F CB 2.059 41.071 39.000 0.018 0.000 1.322 607 F HN 0.788 nan 8.300 nan 0.000 0.461 608 L N 2.609 123.960 121.223 0.214 0.000 2.386 608 L HA 0.663 5.004 4.340 0.002 0.000 0.271 608 L C -1.500 175.415 176.870 0.075 0.000 0.993 608 L CA -0.323 54.584 54.840 0.112 0.000 0.819 608 L CB 1.862 43.962 42.059 0.070 0.000 1.294 608 L HN 0.842 nan 8.230 nan 0.000 0.414 609 N N 3.578 122.304 118.700 0.043 0.000 2.242 609 N HA 0.539 5.280 4.740 0.002 0.000 0.292 609 N C -0.628 174.878 175.510 -0.006 0.000 1.125 609 N CA -0.876 52.176 53.050 0.003 0.000 0.783 609 N CB 1.766 40.251 38.487 -0.002 0.000 1.558 609 N HN 0.622 nan 8.380 nan 0.000 0.472 610 I N -2.880 117.671 120.570 -0.031 0.000 3.424 610 I HA 0.432 4.603 4.170 0.002 0.000 0.339 610 I C -0.103 175.998 176.117 -0.027 0.000 1.549 610 I CA -0.637 60.647 61.300 -0.026 0.000 1.049 610 I CB 0.147 38.119 38.000 -0.047 0.000 1.439 610 I HN 0.560 nan 8.210 nan 0.000 0.500 611 E N 1.807 121.994 120.200 -0.021 0.000 2.349 611 E HA 0.510 4.861 4.350 0.002 0.000 0.265 611 E C -0.602 175.995 176.600 -0.005 0.000 1.064 611 E CA -0.470 55.920 56.400 -0.017 0.000 0.886 611 E CB 1.308 30.997 29.700 -0.019 0.000 1.036 611 E HN 0.466 nan 8.360 nan 0.000 0.413 612 L N 3.085 124.308 121.223 0.000 0.000 2.687 612 L HA 0.460 4.801 4.340 0.002 0.000 0.252 612 L C 0.856 177.736 176.870 0.016 0.000 1.115 612 L CA -1.207 53.638 54.840 0.008 0.000 0.893 612 L CB 0.197 42.261 42.059 0.008 0.000 1.670 612 L HN 0.615 nan 8.230 nan 0.000 0.531 613 I N -2.203 118.380 120.570 0.021 0.000 3.437 613 I HA 0.140 4.311 4.170 0.002 0.000 0.274 613 I C 0.788 176.943 176.117 0.063 0.000 1.215 613 I CA -0.273 61.045 61.300 0.029 0.000 1.215 613 I CB 0.441 38.455 38.000 0.022 0.000 1.441 613 I HN 0.449 nan 8.210 nan 0.000 0.677 614 S N 0.378 116.142 115.700 0.107 0.000 2.558 614 S HA -0.004 4.467 4.470 0.002 0.000 0.288 614 S C 0.768 175.467 174.600 0.166 0.000 1.318 614 S CA -0.061 58.257 58.200 0.197 0.000 1.056 614 S CB 0.190 63.634 63.200 0.406 0.000 0.853 614 S HN 0.731 nan 8.310 nan 0.000 0.505 615 E N 2.226 122.494 120.200 0.113 0.000 2.478 615 E HA 0.063 4.413 4.350 0.002 0.000 0.194 615 E C 0.030 176.643 176.600 0.021 0.000 1.045 615 E CA 0.319 56.749 56.400 0.049 0.000 0.868 615 E CB 0.273 29.975 29.700 0.004 0.000 0.885 615 E HN 0.527 nan 8.360 nan 0.000 0.505 616 K N 1.621 122.052 120.400 0.052 0.000 2.144 616 K HA 0.129 4.450 4.320 0.002 0.000 0.270 616 K C 0.344 177.003 176.600 0.098 0.000 1.005 616 K CA -0.273 55.943 56.287 -0.119 0.000 0.932 616 K CB 1.227 33.388 32.500 -0.566 0.000 1.021 616 K HN -0.015 nan 8.250 nan 0.000 0.462 617 T N -1.296 113.271 114.554 0.022 0.000 2.802 617 T HA 0.124 4.475 4.350 0.002 0.000 0.305 617 T C 1.359 176.163 174.700 0.174 0.000 1.053 617 T CA -0.198 61.970 62.100 0.113 0.000 1.058 617 T CB 1.215 70.114 68.868 0.052 0.000 0.988 617 T HN 0.586 nan 8.240 nan 0.000 0.539 618 A N 1.490 124.416 122.820 0.177 0.000 1.972 618 A HA 0.191 4.512 4.320 0.002 0.000 0.219 618 A C 2.660 180.236 177.584 -0.014 0.000 1.169 618 A CA 1.723 53.824 52.037 0.107 0.000 0.635 618 A CB -1.501 17.669 19.000 0.284 0.000 0.810 618 A HN 1.259 nan 8.150 nan 0.000 0.446 619 A N -1.147 121.692 122.820 0.032 0.000 1.902 619 A HA -0.127 4.194 4.320 0.002 0.000 0.217 619 A C 2.139 179.698 177.584 -0.042 0.000 1.181 619 A CA 1.673 53.712 52.037 0.003 0.000 0.623 619 A CB -0.866 18.143 19.000 0.016 0.000 0.818 619 A HN 0.808 nan 8.150 nan 0.000 0.443 620 Y N -1.269 118.918 120.300 -0.188 0.000 2.145 620 Y HA -0.258 4.293 4.550 0.002 0.000 0.286 620 Y C 2.149 177.809 175.900 -0.401 0.000 1.145 620 Y CA 1.947 59.859 58.100 -0.314 0.000 1.148 620 Y CB -0.504 37.699 38.460 -0.428 0.000 0.981 620 Y HN 0.429 nan 8.280 nan 0.000 0.507 621 W N -0.709 120.418 121.300 -0.289 0.000 2.381 621 W HA -0.171 4.490 4.660 0.002 0.000 0.301 621 W C 2.671 178.908 176.519 -0.471 0.000 1.205 621 W CA 1.236 58.252 57.345 -0.549 0.000 1.285 621 W CB -0.743 28.061 29.460 -1.092 0.000 1.133 621 W HN 0.104 nan 8.180 nan 0.000 0.521 622 C N -1.093 118.106 119.300 -0.168 0.000 2.446 622 C HA -0.191 4.270 4.460 0.002 0.000 0.277 622 C C 2.630 177.584 174.990 -0.059 0.000 1.275 622 C CA 1.248 60.238 59.018 -0.047 0.000 1.727 622 C CB -1.260 26.485 27.740 0.007 0.000 2.010 622 C HN 0.430 nan 8.230 nan 0.000 0.486 623 Q N 0.793 120.517 119.800 -0.127 0.000 2.119 623 Q HA -0.159 4.181 4.340 0.002 0.000 0.201 623 Q C 2.208 178.110 176.000 -0.162 0.000 0.972 623 Q CA 1.757 57.484 55.803 -0.127 0.000 0.847 623 Q CB -0.075 28.575 28.738 -0.147 0.000 0.903 623 Q HN 0.612 nan 8.270 nan 0.000 0.433 624 S N -0.225 115.295 115.700 -0.299 0.000 2.368 624 S HA -0.127 4.343 4.470 0.002 0.000 0.225 624 S C 1.933 176.498 174.600 -0.059 0.000 1.030 624 S CA 1.269 59.292 58.200 -0.295 0.000 0.999 624 S CB -0.202 62.643 63.200 -0.592 0.000 0.844 624 S HN 0.259 nan 8.310 nan 0.000 0.459 625 V N 1.677 121.604 119.914 0.022 0.000 2.343 625 V HA -0.188 3.933 4.120 0.002 0.000 0.247 625 V C 2.509 178.658 176.094 0.092 0.000 1.051 625 V CA 2.100 64.467 62.300 0.113 0.000 1.036 625 V CB -1.318 30.593 31.823 0.147 0.000 0.654 625 V HN 0.509 nan 8.190 nan 0.000 0.451 626 T N -0.356 114.226 114.554 0.046 0.000 2.746 626 T HA -0.216 4.135 4.350 0.002 0.000 0.267 626 T C 1.793 176.519 174.700 0.044 0.000 1.039 626 T CA 1.803 63.927 62.100 0.040 0.000 1.142 626 T CB -0.237 68.639 68.868 0.014 0.000 0.866 626 T HN 0.615 nan 8.240 nan 0.000 0.444 627 E N 0.754 120.969 120.200 0.026 0.000 2.051 627 E HA -0.054 4.297 4.350 0.002 0.000 0.192 627 E C 2.279 178.948 176.600 0.114 0.000 0.991 627 E CA 0.908 57.329 56.400 0.036 0.000 0.799 627 E CB -0.314 29.385 29.700 -0.002 0.000 0.748 627 E HN 0.394 nan 8.360 nan 0.000 0.449 628 L N 0.885 122.213 121.223 0.174 0.000 2.046 628 L HA -0.190 4.151 4.340 0.002 0.000 0.208 628 L C 2.373 179.466 176.870 0.373 0.000 1.077 628 L CA 0.919 55.974 54.840 0.359 0.000 0.747 628 L CB -0.322 41.936 42.059 0.332 0.000 0.896 628 L HN 0.006 nan 8.230 nan 0.000 0.432 629 K N 0.074 120.609 120.400 0.226 0.000 2.217 629 K HA -0.013 4.308 4.320 0.002 0.000 0.202 629 K C 2.109 178.765 176.600 0.093 0.000 1.051 629 K CA 1.209 57.592 56.287 0.161 0.000 0.952 629 K CB -0.338 32.230 32.500 0.114 0.000 0.736 629 K HN 0.268 nan 8.250 nan 0.000 0.453 630 A N 1.598 124.457 122.820 0.067 0.000 1.897 630 A HA -0.136 4.185 4.320 0.002 0.000 0.215 630 A C 1.508 179.060 177.584 -0.054 0.000 1.181 630 A CA 1.666 53.708 52.037 0.007 0.000 0.620 630 A CB -0.167 18.834 19.000 0.001 0.000 0.821 630 A HN 0.156 nan 8.150 nan 0.000 0.443 631 D N -1.717 118.630 120.400 -0.089 0.000 2.305 631 D HA 0.120 4.761 4.640 0.002 0.000 0.206 631 D C -0.450 175.420 176.300 -0.717 0.000 0.974 631 D CA 0.675 54.442 54.000 -0.389 0.000 0.871 631 D CB 0.060 40.573 40.800 -0.478 0.000 0.947 631 D HN 0.445 nan 8.370 nan 0.000 0.516 632 F N 0.576 120.555 119.950 0.048 0.000 2.564 632 F HA 0.248 4.776 4.527 0.002 0.000 0.329 632 F C -1.680 174.076 175.800 -0.074 0.000 1.458 632 F CA -1.640 56.350 58.000 -0.017 0.000 1.117 632 F CB 1.619 40.613 39.000 -0.010 0.000 1.383 632 F HN -0.200 nan 8.300 nan 0.000 0.571 633 P HA -0.159 nan 4.420 nan 0.000 0.221 633 P C 0.507 177.793 177.300 -0.022 0.000 1.145 633 P CA 1.519 64.623 63.100 0.007 0.000 0.795 633 P CB 0.467 32.159 31.700 -0.013 0.000 0.775 634 D N -0.851 119.531 120.400 -0.029 0.000 2.350 634 D HA 0.040 4.681 4.640 0.002 0.000 0.213 634 D C 0.134 176.362 176.300 -0.121 0.000 1.031 634 D CA 0.299 54.265 54.000 -0.058 0.000 0.861 634 D CB -0.297 40.487 40.800 -0.026 0.000 0.926 634 D HN 0.268 nan 8.370 nan 0.000 0.520 635 N N 0.935 119.510 118.700 -0.208 0.000 2.434 635 N HA 0.151 4.892 4.740 0.002 0.000 0.272 635 N C -0.170 175.154 175.510 -0.309 0.000 1.040 635 N CA -0.395 52.379 53.050 -0.460 0.000 0.956 635 N CB 1.544 39.236 38.487 -1.325 0.000 1.108 635 N HN -0.120 nan 8.380 nan 0.000 0.481 636 I N 2.442 122.919 120.570 -0.154 0.000 2.496 636 I HA 0.100 4.271 4.170 0.002 0.000 0.285 636 I C -0.043 176.218 176.117 0.239 0.000 1.080 636 I CA -0.219 61.050 61.300 -0.051 0.000 1.404 636 I CB 0.341 38.145 38.000 -0.326 0.000 1.403 636 I HN 0.212 nan 8.210 nan 0.000 0.539 637 V N 8.213 128.265 119.914 0.229 0.000 2.409 637 V HA 0.450 4.571 4.120 0.002 0.000 0.291 637 V C 0.164 176.417 176.094 0.265 0.000 1.020 637 V CA -0.541 61.958 62.300 0.332 0.000 0.848 637 V CB 1.945 33.958 31.823 0.318 0.000 0.990 637 V HN 0.416 nan 8.190 nan 0.000 0.430 638 I N 4.120 124.871 120.570 0.301 0.000 2.362 638 I HA 0.637 4.808 4.170 0.002 0.000 0.289 638 I C 0.481 176.726 176.117 0.212 0.000 0.994 638 I CA -0.611 60.848 61.300 0.266 0.000 1.158 638 I CB 1.844 40.047 38.000 0.338 0.000 1.315 638 I HN 0.643 nan 8.210 nan 0.000 0.451 639 A N 4.714 127.648 122.820 0.190 0.000 2.302 639 A HA 0.429 4.750 4.320 0.002 0.000 0.295 639 A C 0.114 177.721 177.584 0.038 0.000 1.235 639 A CA -0.216 51.931 52.037 0.185 0.000 0.876 639 A CB 0.639 19.809 19.000 0.283 0.000 1.133 639 A HN 0.657 nan 8.150 nan 0.000 0.533 640 S N 2.842 118.508 115.700 -0.057 0.000 2.475 640 S HA 0.638 5.109 4.470 0.002 0.000 0.281 640 S C -0.145 174.200 174.600 -0.425 0.000 1.198 640 S CA -0.550 57.571 58.200 -0.131 0.000 1.063 640 S CB -0.392 62.756 63.200 -0.087 0.000 0.972 640 S HN 0.802 nan 8.310 nan 0.000 0.486 641 I N 2.194 122.566 120.570 -0.331 0.000 2.934 641 I HA 0.739 4.910 4.170 0.002 0.000 0.306 641 I C -0.913 175.060 176.117 -0.240 0.000 1.110 641 I CA -1.226 59.770 61.300 -0.507 0.000 1.019 641 I CB 2.311 40.011 38.000 -0.501 0.000 1.227 641 I HN 0.672 nan 8.210 nan 0.000 0.434 642 M N 3.992 123.351 119.600 -0.402 0.000 2.371 642 M HA 0.665 5.146 4.480 0.002 0.000 0.287 642 M C -2.063 173.820 176.300 -0.696 0.000 1.149 642 M CA -0.019 55.029 55.300 -0.419 0.000 0.929 642 M CB 1.967 34.487 32.600 -0.132 0.000 1.683 642 M HN 0.951 nan 8.290 nan 0.000 0.470 643 C N 0.732 119.368 119.300 -1.107 0.000 3.080 643 C HA 0.810 5.271 4.460 0.002 0.000 0.307 643 C C 0.327 175.122 174.990 -0.325 0.000 1.311 643 C CA -0.692 57.786 59.018 -0.899 0.000 1.533 643 C CB 2.219 29.018 27.740 -1.568 0.000 1.970 643 C HN 0.976 nan 8.230 nan 0.000 0.467 644 S N 0.018 115.648 115.700 -0.117 0.000 2.641 644 S HA 0.267 4.738 4.470 0.002 0.000 0.261 644 S C -0.472 174.353 174.600 0.375 0.000 1.257 644 S CA -0.137 58.148 58.200 0.142 0.000 0.983 644 S CB -0.016 63.241 63.200 0.096 0.000 0.990 644 S HN 0.719 nan 8.310 nan 0.000 0.572 645 Y N 2.653 123.152 120.300 0.332 0.000 2.518 645 Y HA 0.292 4.843 4.550 0.002 0.000 0.337 645 Y C 0.209 176.333 175.900 0.373 0.000 1.261 645 Y CA -0.341 58.044 58.100 0.475 0.000 1.856 645 Y CB -0.918 37.754 38.460 0.353 0.000 1.798 645 Y HN 0.735 nan 8.280 nan 0.000 0.440 646 N N 4.202 123.001 118.700 0.164 0.000 2.454 646 N HA 0.090 4.831 4.740 0.002 0.000 0.291 646 N C 0.430 175.668 175.510 -0.454 0.000 1.079 646 N CA -0.326 52.605 53.050 -0.198 0.000 0.893 646 N CB 1.523 39.950 38.487 -0.100 0.000 1.512 646 N HN 0.589 nan 8.380 nan 0.000 0.497 647 K N 3.062 122.752 120.400 -1.185 0.000 2.009 647 K HA -0.124 4.197 4.320 0.002 0.000 0.210 647 K C 1.027 177.296 176.600 -0.552 0.000 1.049 647 K CA 1.577 56.979 56.287 -1.476 0.000 0.929 647 K CB 0.090 31.560 32.500 -1.717 0.000 0.714 647 K HN 0.465 nan 8.250 nan 0.000 0.440 648 N N 1.414 119.881 118.700 -0.389 0.000 2.149 648 N HA -0.161 4.580 4.740 0.002 0.000 0.188 648 N C 1.314 176.742 175.510 -0.136 0.000 1.019 648 N CA 1.536 54.460 53.050 -0.210 0.000 0.857 648 N CB -0.491 37.895 38.487 -0.167 0.000 0.997 648 N HN 0.304 nan 8.380 nan 0.000 0.426 649 D N -0.276 120.036 120.400 -0.147 0.000 2.084 649 D HA -0.121 4.520 4.640 0.002 0.000 0.194 649 D C 1.906 178.131 176.300 -0.124 0.000 0.990 649 D CA 0.773 54.683 54.000 -0.151 0.000 0.826 649 D CB -0.536 40.135 40.800 -0.215 0.000 0.971 649 D HN 0.348 nan 8.370 nan 0.000 0.453 650 W N 0.827 122.084 121.300 -0.072 0.000 2.342 650 W HA -0.083 4.578 4.660 0.002 0.000 0.297 650 W C 2.638 179.129 176.519 -0.046 0.000 1.213 650 W CA 0.702 58.038 57.345 -0.015 0.000 1.251 650 W CB -0.287 29.247 29.460 0.122 0.000 1.136 650 W HN -0.045 nan 8.180 nan 0.000 0.526 651 M N -0.639 119.052 119.600 0.152 0.000 2.175 651 M HA -0.179 4.302 4.480 0.002 0.000 0.264 651 M C 2.092 178.410 176.300 0.030 0.000 1.063 651 M CA 1.629 56.969 55.300 0.066 0.000 1.119 651 M CB -0.671 31.931 32.600 0.003 0.000 1.377 651 M HN 0.065 nan 8.290 nan 0.000 0.415 652 E N 0.816 121.017 120.200 0.001 0.000 2.031 652 E HA -0.232 4.119 4.350 0.002 0.000 0.193 652 E C 1.971 178.578 176.600 0.011 0.000 0.994 652 E CA 1.180 57.576 56.400 -0.005 0.000 0.800 652 E CB -0.003 29.680 29.700 -0.028 0.000 0.752 652 E HN 0.283 nan 8.360 nan 0.000 0.447 653 L N 1.040 122.257 121.223 -0.011 0.000 2.056 653 L HA -0.149 4.192 4.340 0.002 0.000 0.207 653 L C 2.485 179.374 176.870 0.032 0.000 1.078 653 L CA 2.307 57.145 54.840 -0.004 0.000 0.749 653 L CB -0.671 41.316 42.059 -0.120 0.000 0.901 653 L HN 0.221 nan 8.230 nan 0.000 0.433 654 S N -0.861 114.866 115.700 0.044 0.000 2.368 654 S HA -0.219 4.252 4.470 0.002 0.000 0.225 654 S C 2.149 176.779 174.600 0.050 0.000 1.030 654 S CA 1.069 59.297 58.200 0.048 0.000 0.999 654 S CB -0.638 62.584 63.200 0.037 0.000 0.844 654 S HN 0.496 nan 8.310 nan 0.000 0.459 655 R N 1.281 121.808 120.500 0.045 0.000 2.092 655 R HA 0.069 4.410 4.340 0.002 0.000 0.231 655 R C 2.568 178.905 176.300 0.062 0.000 1.119 655 R CA 1.370 57.496 56.100 0.045 0.000 0.970 655 R CB -0.255 30.064 30.300 0.032 0.000 0.864 655 R HN 0.515 nan 8.270 nan 0.000 0.440 656 K N 0.578 121.024 120.400 0.077 0.000 2.057 656 K HA -0.100 4.221 4.320 0.002 0.000 0.206 656 K C 2.013 178.696 176.600 0.139 0.000 1.050 656 K CA 1.385 57.733 56.287 0.101 0.000 0.935 656 K CB -0.058 32.515 32.500 0.122 0.000 0.715 656 K HN 0.147 nan 8.250 nan 0.000 0.439 657 A N 1.292 124.219 122.820 0.179 0.000 1.898 657 A HA -0.205 4.116 4.320 0.002 0.000 0.216 657 A C 2.002 179.676 177.584 0.151 0.000 1.181 657 A CA 1.733 53.908 52.037 0.230 0.000 0.620 657 A CB -0.541 18.604 19.000 0.242 0.000 0.819 657 A HN 0.593 nan 8.150 nan 0.000 0.442 658 E N 0.044 120.307 120.200 0.105 0.000 2.077 658 E HA -0.125 4.226 4.350 0.002 0.000 0.193 658 E C 2.043 178.686 176.600 0.072 0.000 0.989 658 E CA 1.036 57.484 56.400 0.080 0.000 0.800 658 E CB -0.274 29.462 29.700 0.058 0.000 0.746 658 E HN 0.508 nan 8.360 nan 0.000 0.452 659 A N 0.889 123.750 122.820 0.068 0.000 2.070 659 A HA -0.163 4.158 4.320 0.002 0.000 0.220 659 A C 2.259 179.877 177.584 0.057 0.000 1.159 659 A CA 1.726 53.796 52.037 0.055 0.000 0.656 659 A CB -0.629 18.401 19.000 0.049 0.000 0.800 659 A HN 0.438 nan 8.150 nan 0.000 0.453 660 S N -1.984 113.761 115.700 0.075 0.000 2.522 660 S HA 0.332 4.802 4.470 0.002 0.000 0.227 660 S C 1.405 176.047 174.600 0.070 0.000 0.986 660 S CA 1.192 59.434 58.200 0.070 0.000 0.929 660 S CB -0.254 63.000 63.200 0.089 0.000 0.769 660 S HN 1.892 nan 8.310 nan 0.000 0.529 661 G N 0.416 109.260 108.800 0.074 0.000 2.168 661 G HA2 0.027 3.988 3.960 0.002 0.000 0.197 661 G HA3 0.027 3.988 3.960 0.002 0.000 0.197 661 G C 0.200 175.151 174.900 0.085 0.000 0.997 661 G CA -0.185 44.956 45.100 0.069 0.000 0.658 661 G HN 1.215 nan 8.290 nan 0.000 0.513 662 A N 0.330 123.214 122.820 0.107 0.000 2.531 662 A HA 0.472 4.793 4.320 0.002 0.000 0.236 662 A C 1.302 178.941 177.584 0.093 0.000 1.062 662 A CA 0.961 53.073 52.037 0.125 0.000 0.760 662 A CB 0.275 19.366 19.000 0.152 0.000 0.995 662 A HN 0.239 nan 8.150 nan 0.000 0.501 663 D N 0.638 121.092 120.400 0.090 0.000 2.183 663 D HA 0.205 4.846 4.640 0.002 0.000 0.203 663 D C 0.811 177.144 176.300 0.054 0.000 0.969 663 D CA 1.961 55.992 54.000 0.050 0.000 0.842 663 D CB 0.161 40.969 40.800 0.014 0.000 0.957 663 D HN 0.766 nan 8.370 nan 0.000 0.484 664 A N -0.537 122.337 122.820 0.089 0.000 2.564 664 A HA 0.641 4.962 4.320 0.002 0.000 0.291 664 A C -1.680 175.957 177.584 0.089 0.000 1.102 664 A CA -0.659 51.408 52.037 0.049 0.000 0.660 664 A CB 0.795 19.838 19.000 0.072 0.000 1.283 664 A HN 0.023 nan 8.150 nan 0.000 0.430 665 L N 0.064 121.312 121.223 0.041 0.000 2.341 665 L HA 0.732 5.073 4.340 0.002 0.000 0.267 665 L C -0.226 176.734 176.870 0.150 0.000 1.009 665 L CA -0.516 54.383 54.840 0.099 0.000 0.819 665 L CB 2.174 44.280 42.059 0.079 0.000 1.323 665 L HN 0.883 nan 8.230 nan 0.000 0.425 666 E N 2.148 122.452 120.200 0.173 0.000 2.218 666 E HA 0.457 4.808 4.350 0.002 0.000 0.263 666 E C -1.586 175.118 176.600 0.174 0.000 0.879 666 E CA -0.628 55.907 56.400 0.225 0.000 0.762 666 E CB 1.632 31.464 29.700 0.220 0.000 1.166 666 E HN 0.474 nan 8.360 nan 0.000 0.415 667 L N 4.262 125.610 121.223 0.208 0.000 2.260 667 L HA 0.332 4.673 4.340 0.002 0.000 0.289 667 L C 0.328 177.327 176.870 0.215 0.000 1.057 667 L CA -0.772 54.206 54.840 0.231 0.000 0.811 667 L CB 0.565 42.674 42.059 0.084 0.000 1.184 667 L HN 0.438 nan 8.230 nan 0.000 0.429 668 N N 4.470 123.315 118.700 0.242 0.000 2.411 668 N HA 0.169 4.910 4.740 0.002 0.000 0.259 668 N C -0.004 175.653 175.510 0.245 0.000 1.103 668 N CA -0.147 53.008 53.050 0.176 0.000 0.954 668 N CB 1.179 39.724 38.487 0.098 0.000 1.085 668 N HN 0.596 nan 8.380 nan 0.000 0.485 669 L N 2.499 123.825 121.223 0.172 0.000 2.851 669 L HA 0.173 4.514 4.340 0.002 0.000 0.237 669 L C 1.261 178.211 176.870 0.134 0.000 1.257 669 L CA -0.122 54.819 54.840 0.169 0.000 1.061 669 L CB -0.017 42.104 42.059 0.102 0.000 1.372 669 L HN 0.403 nan 8.230 nan 0.000 0.493 670 S N -0.960 114.813 115.700 0.123 0.000 2.528 670 S HA -0.024 4.447 4.470 0.002 0.000 0.219 670 S C 0.925 175.573 174.600 0.080 0.000 0.985 670 S CA -0.246 58.004 58.200 0.082 0.000 0.914 670 S CB -0.015 63.221 63.200 0.061 0.000 0.776 670 S HN 0.594 nan 8.310 nan 0.000 0.526 671 C N 5.549 124.922 119.300 0.121 0.000 2.634 671 C HA 0.234 4.695 4.460 0.002 0.000 0.418 671 C C -2.200 172.846 174.990 0.095 0.000 1.373 671 C CA -2.053 57.032 59.018 0.112 0.000 1.756 671 C CB -0.137 27.697 27.740 0.157 0.000 2.589 671 C HN 0.277 nan 8.230 nan 0.000 0.602 672 P HA 0.107 nan 4.420 nan 0.000 0.271 672 P C 0.247 177.583 177.300 0.060 0.000 1.216 672 P CA 0.403 63.491 63.100 -0.020 0.000 0.771 672 P CB 0.278 31.964 31.700 -0.022 0.000 0.864 673 H N 1.556 120.658 119.070 0.053 0.000 2.525 673 H HA 0.093 4.650 4.556 0.002 0.000 0.275 673 H C 1.208 176.567 175.328 0.052 0.000 0.984 673 H CA 0.273 56.352 56.048 0.052 0.000 1.264 673 H CB -0.552 29.168 29.762 -0.071 0.000 1.432 673 H HN 0.585 nan 8.280 nan 0.000 0.549 674 G N 2.424 111.427 108.800 0.338 0.000 2.361 674 G HA2 -0.316 3.645 3.960 0.002 0.000 0.294 674 G HA3 -0.316 3.645 3.960 0.002 0.000 0.294 674 G C 0.301 175.377 174.900 0.293 0.000 1.004 674 G CA 0.427 45.689 45.100 0.270 0.000 0.870 674 G HN 0.301 nan 8.290 nan 0.000 0.510 675 M N 0.726 120.569 119.600 0.405 0.000 2.501 675 M HA 0.098 4.579 4.480 0.002 0.000 0.363 675 M C 1.907 178.228 176.300 0.035 0.000 1.708 675 M CA 0.516 55.787 55.300 -0.048 0.000 1.078 675 M CB -0.327 31.933 32.600 -0.566 0.000 2.107 675 M HN 0.269 nan 8.290 nan 0.000 0.466 676 G N 4.121 112.944 108.800 0.038 0.000 2.469 676 G HA2 -0.237 3.724 3.960 0.002 0.000 0.219 676 G HA3 -0.237 3.724 3.960 0.002 0.000 0.219 676 G C 1.280 176.195 174.900 0.023 0.000 1.150 676 G CA 0.920 46.044 45.100 0.039 0.000 0.763 676 G HN 0.788 nan 8.290 nan 0.000 0.561 677 E N 0.216 120.418 120.200 0.003 0.000 2.028 677 E HA 0.010 4.361 4.350 0.002 0.000 0.191 677 E C 1.102 177.700 176.600 -0.004 0.000 0.988 677 E CA 0.730 57.129 56.400 -0.002 0.000 0.799 677 E CB 0.022 29.715 29.700 -0.012 0.000 0.755 677 E HN 0.331 nan 8.360 nan 0.000 0.447 678 R N -1.345 119.137 120.500 -0.030 0.000 6.057 678 R HA 0.319 4.660 4.340 0.002 0.000 0.243 678 R C -1.593 174.666 176.300 -0.069 0.000 0.908 678 R CA 0.582 56.679 56.100 -0.005 0.000 1.470 678 R CB 0.047 30.355 30.300 0.013 0.000 1.228 678 R HN 0.426 nan 8.270 nan 0.000 0.761 679 G N 2.766 111.586 108.800 0.034 0.000 2.733 679 G HA2 0.533 4.494 3.960 0.002 0.000 0.297 679 G HA3 0.533 4.494 3.960 0.002 0.000 0.297 679 G C -0.775 174.259 174.900 0.223 0.000 1.422 679 G CA -1.044 44.085 45.100 0.048 0.000 0.942 679 G HN 0.455 nan 8.290 nan 0.000 0.510 680 M N 1.732 121.401 119.600 0.116 0.000 2.251 680 M HA 0.326 4.807 4.480 0.002 0.000 0.343 680 M C 1.441 177.775 176.300 0.056 0.000 1.245 680 M CA 1.798 57.140 55.300 0.069 0.000 1.061 680 M CB 0.092 32.710 32.600 0.031 0.000 1.723 680 M HN 1.379 nan 8.290 nan 0.000 0.449 681 G N 2.296 111.104 108.800 0.014 0.000 2.578 681 G HA2 -0.274 3.687 3.960 0.002 0.000 0.275 681 G HA3 -0.274 3.687 3.960 0.002 0.000 0.275 681 G C -0.023 174.818 174.900 -0.098 0.000 1.271 681 G CA 0.037 45.120 45.100 -0.028 0.000 0.941 681 G HN 0.630 nan 8.290 nan 0.000 0.564 682 L N 0.844 121.978 121.223 -0.149 0.000 2.717 682 L HA 0.653 4.994 4.340 0.002 0.000 0.239 682 L C 1.798 178.451 176.870 -0.361 0.000 1.086 682 L CA 1.457 56.137 54.840 -0.268 0.000 0.897 682 L CB -0.037 41.947 42.059 -0.126 0.000 1.214 682 L HN 1.084 nan 8.230 nan 0.000 0.508 683 A N -1.584 121.123 122.820 -0.189 0.000 2.303 683 A HA 0.349 4.670 4.320 0.002 0.000 0.317 683 A C 1.184 178.751 177.584 -0.029 0.000 1.149 683 A CA -0.374 51.606 52.037 -0.095 0.000 0.822 683 A CB 0.651 19.642 19.000 -0.017 0.000 1.131 683 A HN 0.243 nan 8.150 nan 0.000 0.493 684 C N 1.346 120.684 119.300 0.064 0.000 2.413 684 C HA -0.076 4.385 4.460 0.002 0.000 0.277 684 C C 2.652 177.680 174.990 0.063 0.000 1.265 684 C CA 1.423 60.509 59.018 0.114 0.000 1.752 684 C CB -1.362 26.485 27.740 0.179 0.000 1.998 684 C HN 1.009 nan 8.230 nan 0.000 0.489 685 G N -0.710 108.125 108.800 0.059 0.000 2.625 685 G HA2 -0.146 3.815 3.960 0.002 0.000 0.214 685 G HA3 -0.146 3.815 3.960 0.002 0.000 0.214 685 G C 1.462 176.378 174.900 0.026 0.000 1.132 685 G CA 0.250 45.375 45.100 0.042 0.000 0.782 685 G HN 0.732 nan 8.290 nan 0.000 0.538 686 Q N -0.548 119.265 119.800 0.022 0.000 2.319 686 Q HA 0.107 4.448 4.340 0.002 0.000 0.202 686 Q C -0.374 175.636 176.000 0.016 0.000 0.896 686 Q CA -0.087 55.724 55.803 0.014 0.000 0.942 686 Q CB 0.782 29.521 28.738 0.002 0.000 1.083 686 Q HN 0.244 nan 8.270 nan 0.000 0.510 687 D N 0.398 120.809 120.400 0.018 0.000 2.505 687 D HA 0.124 4.765 4.640 0.002 0.000 0.250 687 D C -1.958 174.326 176.300 -0.028 0.000 1.164 687 D CA -2.121 51.879 54.000 0.001 0.000 0.870 687 D CB 1.927 42.733 40.800 0.009 0.000 1.160 687 D HN -0.157 nan 8.370 nan 0.000 0.549 688 P HA -0.172 nan 4.420 nan 0.000 0.217 688 P C 0.978 178.240 177.300 -0.062 0.000 1.148 688 P CA 1.019 64.095 63.100 -0.040 0.000 0.828 688 P CB 0.732 32.412 31.700 -0.034 0.000 0.783 689 E N 0.374 120.533 120.200 -0.068 0.000 2.023 689 E HA -0.142 4.209 4.350 0.002 0.000 0.196 689 E C 2.390 178.926 176.600 -0.105 0.000 1.003 689 E CA 1.110 57.461 56.400 -0.081 0.000 0.809 689 E CB -0.861 28.788 29.700 -0.086 0.000 0.755 689 E HN 0.322 nan 8.360 nan 0.000 0.449 690 L N 0.925 122.064 121.223 -0.139 0.000 2.012 690 L HA -0.183 4.158 4.340 0.002 0.000 0.210 690 L C 2.711 179.513 176.870 -0.112 0.000 1.073 690 L CA 0.907 55.653 54.840 -0.157 0.000 0.748 690 L CB -0.775 41.122 42.059 -0.269 0.000 0.891 690 L HN -0.010 nan 8.230 nan 0.000 0.431 691 V N -0.076 119.774 119.914 -0.106 0.000 2.343 691 V HA -0.292 3.828 4.120 0.002 0.000 0.247 691 V C 2.731 178.721 176.094 -0.173 0.000 1.051 691 V CA 1.941 64.169 62.300 -0.120 0.000 1.036 691 V CB -0.697 31.092 31.823 -0.057 0.000 0.654 691 V HN 0.453 nan 8.190 nan 0.000 0.451 692 R N 0.300 120.709 120.500 -0.152 0.000 2.083 692 R HA -0.185 4.156 4.340 0.002 0.000 0.237 692 R C 2.234 178.362 176.300 -0.287 0.000 1.137 692 R CA 1.998 58.001 56.100 -0.163 0.000 0.951 692 R CB -0.267 29.960 30.300 -0.121 0.000 0.851 692 R HN 0.546 nan 8.270 nan 0.000 0.434 693 N N 0.674 119.136 118.700 -0.396 0.000 2.142 693 N HA -0.139 4.602 4.740 0.002 0.000 0.186 693 N C 1.924 176.613 175.510 -1.368 0.000 1.023 693 N CA 1.380 53.959 53.050 -0.785 0.000 0.852 693 N CB -0.217 37.851 38.487 -0.697 0.000 0.998 693 N HN 0.295 nan 8.380 nan 0.000 0.424 694 I N 0.676 120.611 120.570 -1.060 0.000 2.163 694 I HA -0.299 3.872 4.170 0.002 0.000 0.243 694 I C 2.123 177.821 176.117 -0.698 0.000 1.085 694 I CA 0.890 61.576 61.300 -1.023 0.000 1.347 694 I CB -0.271 37.216 38.000 -0.855 0.000 1.044 694 I HN 0.141 nan 8.210 nan 0.000 0.408 695 C N 0.382 119.424 119.300 -0.430 0.000 2.425 695 C HA -0.113 4.348 4.460 0.002 0.000 0.277 695 C C 2.887 177.817 174.990 -0.101 0.000 1.280 695 C CA 0.642 59.583 59.018 -0.130 0.000 1.744 695 C CB -1.260 26.554 27.740 0.123 0.000 1.989 695 C HN 0.411 nan 8.230 nan 0.000 0.491 696 R N -0.379 119.991 120.500 -0.217 0.000 2.073 696 R HA -0.136 4.205 4.340 0.002 0.000 0.234 696 R C 2.216 178.515 176.300 -0.000 0.000 1.134 696 R CA 1.633 57.666 56.100 -0.112 0.000 0.952 696 R CB -0.278 29.913 30.300 -0.181 0.000 0.850 696 R HN 0.574 nan 8.270 nan 0.000 0.433 697 W N 0.199 121.418 121.300 -0.136 0.000 2.355 697 W HA -0.110 4.550 4.660 0.002 0.000 0.309 697 W C 2.094 178.518 176.519 -0.158 0.000 1.206 697 W CA 0.415 57.683 57.345 -0.128 0.000 1.284 697 W CB -1.143 28.238 29.460 -0.132 0.000 1.145 697 W HN -0.098 nan 8.180 nan 0.000 0.502 698 V N 0.696 120.559 119.914 -0.085 0.000 2.358 698 V HA -0.260 3.861 4.120 0.002 0.000 0.246 698 V C 2.470 178.373 176.094 -0.318 0.000 1.047 698 V CA 2.164 64.266 62.300 -0.330 0.000 1.035 698 V CB -0.917 30.397 31.823 -0.848 0.000 0.658 698 V HN -0.020 nan 8.190 nan 0.000 0.452 699 R N 1.455 121.842 120.500 -0.189 0.000 2.105 699 R HA -0.209 4.132 4.340 0.002 0.000 0.239 699 R C 2.309 178.659 176.300 0.082 0.000 1.135 699 R CA 2.103 58.283 56.100 0.133 0.000 0.967 699 R CB -0.537 29.923 30.300 0.266 0.000 0.861 699 R HN 0.780 nan 8.270 nan 0.000 0.442 700 Q N -1.634 118.202 119.800 0.059 0.000 2.451 700 Q HA 0.145 4.486 4.340 0.002 0.000 0.206 700 Q C 1.396 177.420 176.000 0.040 0.000 0.947 700 Q CA 0.932 56.771 55.803 0.059 0.000 0.937 700 Q CB 0.232 29.014 28.738 0.073 0.000 1.025 700 Q HN 0.312 nan 8.270 nan 0.000 0.511 701 A N 1.216 124.050 122.820 0.023 0.000 2.014 701 A HA 0.277 4.598 4.320 0.002 0.000 0.210 701 A C 1.050 178.643 177.584 0.015 0.000 1.188 701 A CA 0.694 52.741 52.037 0.016 0.000 0.731 701 A CB 0.304 19.314 19.000 0.015 0.000 0.858 701 A HN 0.331 nan 8.150 nan 0.000 0.464 702 V N -4.126 115.794 119.914 0.010 0.000 3.074 702 V HA 0.564 4.685 4.120 0.002 0.000 0.314 702 V C -0.024 176.103 176.094 0.056 0.000 1.117 702 V CA -0.764 61.553 62.300 0.028 0.000 1.014 702 V CB 1.761 33.594 31.823 0.018 0.000 1.057 702 V HN 0.165 nan 8.190 nan 0.000 0.438 703 Q N 1.685 121.517 119.800 0.053 0.000 2.392 703 Q HA 0.358 4.699 4.340 0.002 0.000 0.219 703 Q C 0.862 176.894 176.000 0.054 0.000 0.895 703 Q CA 0.668 56.503 55.803 0.054 0.000 0.929 703 Q CB 0.201 28.962 28.738 0.038 0.000 1.077 703 Q HN 0.945 nan 8.270 nan 0.000 0.532 704 I N -0.174 120.428 120.570 0.052 0.000 3.004 704 I HA 0.282 4.453 4.170 0.002 0.000 0.287 704 I C -2.212 173.924 176.117 0.031 0.000 1.144 704 I CA -2.200 59.121 61.300 0.035 0.000 1.353 704 I CB -0.096 37.924 38.000 0.033 0.000 1.417 704 I HN -0.230 nan 8.210 nan 0.000 0.602 705 P HA 0.245 nan 4.420 nan 0.000 0.272 705 P C -1.136 175.954 177.300 -0.349 0.000 1.223 705 P CA 0.101 63.062 63.100 -0.231 0.000 0.784 705 P CB 0.366 31.911 31.700 -0.258 0.000 0.923 706 F N -0.043 119.504 119.950 -0.671 0.000 2.601 706 F HA 0.744 5.272 4.527 0.002 0.000 0.309 706 F C -1.824 173.514 175.800 -0.769 0.000 1.089 706 F CA -1.382 56.221 58.000 -0.662 0.000 0.940 706 F CB 1.100 39.948 39.000 -0.254 0.000 1.273 706 F HN 0.072 nan 8.300 nan 0.000 0.450 707 F N 1.802 121.825 119.950 0.123 0.000 2.532 707 F HA 0.793 5.321 4.527 0.002 0.000 0.321 707 F C 0.117 175.988 175.800 0.118 0.000 1.089 707 F CA -1.397 56.598 58.000 -0.008 0.000 0.926 707 F CB 2.175 41.143 39.000 -0.054 0.000 1.168 707 F HN 0.875 nan 8.300 nan 0.000 0.459 708 A N 2.902 125.872 122.820 0.250 0.000 2.289 708 A HA 0.427 4.748 4.320 0.002 0.000 0.298 708 A C -0.342 177.332 177.584 0.149 0.000 1.208 708 A CA -0.694 51.458 52.037 0.191 0.000 0.845 708 A CB 0.518 19.608 19.000 0.151 0.000 1.125 708 A HN 0.784 nan 8.150 nan 0.000 0.517 709 K N 3.788 124.269 120.400 0.134 0.000 2.284 709 K HA 0.460 4.781 4.320 0.002 0.000 0.287 709 K C -0.831 175.819 176.600 0.082 0.000 1.081 709 K CA -0.205 56.143 56.287 0.101 0.000 0.910 709 K CB 0.145 32.704 32.500 0.098 0.000 1.088 709 K HN 0.716 nan 8.250 nan 0.000 0.478 710 L N 2.748 124.012 121.223 0.069 0.000 2.375 710 L HA 0.262 4.603 4.340 0.002 0.000 0.271 710 L C 0.737 177.638 176.870 0.052 0.000 1.107 710 L CA -0.645 54.231 54.840 0.060 0.000 0.806 710 L CB 1.411 43.506 42.059 0.061 0.000 1.146 710 L HN 0.593 nan 8.230 nan 0.000 0.447 711 T N 1.819 116.400 114.554 0.046 0.000 2.875 711 T HA 0.358 4.709 4.350 0.002 0.000 0.284 711 T C -1.626 173.095 174.700 0.034 0.000 0.995 711 T CA -1.793 60.330 62.100 0.038 0.000 1.060 711 T CB 1.404 70.291 68.868 0.033 0.000 0.967 711 T HN 0.478 nan 8.240 nan 0.000 0.476 712 P HA 0.087 nan 4.420 nan 0.000 0.245 712 P C 0.068 177.379 177.300 0.019 0.000 1.206 712 P CA 0.105 63.224 63.100 0.031 0.000 0.781 712 P CB 0.243 31.965 31.700 0.038 0.000 0.994 713 N N 1.398 120.106 118.700 0.013 0.000 3.243 713 N HA 0.137 4.878 4.740 0.002 0.000 0.310 713 N C 0.176 175.686 175.510 -0.001 0.000 1.313 713 N CA 0.280 53.330 53.050 -0.000 0.000 1.204 713 N CB 0.128 38.611 38.487 -0.007 0.000 1.483 713 N HN 0.176 nan 8.380 nan 0.000 0.553 714 V N -3.911 116.005 119.914 0.003 0.000 3.147 714 V HA 0.406 4.527 4.120 0.002 0.000 0.306 714 V C 1.128 177.223 176.094 0.003 0.000 1.209 714 V CA -0.849 61.453 62.300 0.003 0.000 1.023 714 V CB 1.551 33.380 31.823 0.009 0.000 1.059 714 V HN -0.017 nan 8.190 nan 0.000 0.435 715 T N 0.594 115.148 114.554 0.000 0.000 2.737 715 T HA -0.044 4.307 4.350 0.002 0.000 0.265 715 T C 0.455 175.156 174.700 0.003 0.000 1.038 715 T CA 2.371 64.471 62.100 -0.000 0.000 1.144 715 T CB -0.226 68.640 68.868 -0.002 0.000 0.866 715 T HN 0.937 nan 8.240 nan 0.000 0.434 716 D N -0.151 120.251 120.400 0.004 0.000 2.375 716 D HA 0.264 4.905 4.640 0.002 0.000 0.259 716 D C 0.583 176.889 176.300 0.010 0.000 1.235 716 D CA -0.381 53.622 54.000 0.006 0.000 0.924 716 D CB 0.200 41.001 40.800 0.001 0.000 1.143 716 D HN 0.120 nan 8.370 nan 0.000 0.529 717 I N 2.813 123.394 120.570 0.018 0.000 2.493 717 I HA -0.185 3.986 4.170 0.002 0.000 0.254 717 I C 1.441 177.575 176.117 0.028 0.000 1.160 717 I CA 0.755 62.071 61.300 0.026 0.000 1.445 717 I CB 0.480 38.501 38.000 0.035 0.000 1.086 717 I HN 0.222 nan 8.210 nan 0.000 0.433 718 V N 0.971 120.898 119.914 0.022 0.000 2.407 718 V HA -0.278 3.843 4.120 0.002 0.000 0.248 718 V C 2.650 178.746 176.094 0.003 0.000 1.055 718 V CA 2.054 64.365 62.300 0.018 0.000 1.049 718 V CB -0.864 30.965 31.823 0.010 0.000 0.662 718 V HN 0.688 nan 8.190 nan 0.000 0.455 719 S N 0.199 115.898 115.700 -0.002 0.000 2.399 719 S HA -0.140 4.331 4.470 0.002 0.000 0.231 719 S C 1.914 176.506 174.600 -0.014 0.000 1.022 719 S CA 1.360 59.552 58.200 -0.014 0.000 0.983 719 S CB -0.408 62.784 63.200 -0.013 0.000 0.803 719 S HN 0.435 nan 8.310 nan 0.000 0.480 720 I N 2.694 123.265 120.570 0.002 0.000 2.286 720 I HA 0.047 4.218 4.170 0.002 0.000 0.245 720 I C 3.066 179.195 176.117 0.021 0.000 1.104 720 I CA 1.031 62.335 61.300 0.007 0.000 1.397 720 I CB -2.037 35.975 38.000 0.020 0.000 1.072 720 I HN 0.418 nan 8.210 nan 0.000 0.417 721 A N 1.048 123.893 122.820 0.042 0.000 1.902 721 A HA -0.232 4.089 4.320 0.002 0.000 0.217 721 A C 2.558 180.142 177.584 0.001 0.000 1.181 721 A CA 1.759 53.850 52.037 0.089 0.000 0.623 721 A CB -0.701 18.375 19.000 0.128 0.000 0.818 721 A HN 0.356 nan 8.150 nan 0.000 0.443 722 R N -0.387 120.079 120.500 -0.056 0.000 2.081 722 R HA -0.090 4.250 4.340 0.002 0.000 0.235 722 R C 2.256 178.484 176.300 -0.120 0.000 1.131 722 R CA 1.426 57.447 56.100 -0.131 0.000 0.960 722 R CB -0.397 29.845 30.300 -0.096 0.000 0.856 722 R HN 0.433 nan 8.270 nan 0.000 0.436 723 A N 0.668 123.446 122.820 -0.070 0.000 1.933 723 A HA -0.085 4.236 4.320 0.002 0.000 0.218 723 A C 2.338 179.886 177.584 -0.060 0.000 1.175 723 A CA 1.600 53.598 52.037 -0.066 0.000 0.628 723 A CB -0.709 18.259 19.000 -0.053 0.000 0.814 723 A HN 0.539 nan 8.150 nan 0.000 0.444 724 A N -0.244 122.563 122.820 -0.022 0.000 1.902 724 A HA -0.159 4.162 4.320 0.002 0.000 0.217 724 A C 2.139 179.731 177.584 0.012 0.000 1.181 724 A CA 1.963 54.020 52.037 0.033 0.000 0.623 724 A CB -0.440 18.632 19.000 0.121 0.000 0.818 724 A HN 0.546 nan 8.150 nan 0.000 0.443 725 K N -0.104 120.229 120.400 -0.111 0.000 2.057 725 K HA -0.172 4.149 4.320 0.002 0.000 0.207 725 K C 1.831 178.323 176.600 -0.180 0.000 1.049 725 K CA 1.634 57.739 56.287 -0.303 0.000 0.931 725 K CB -0.179 31.806 32.500 -0.859 0.000 0.714 725 K HN 0.628 nan 8.250 nan 0.000 0.440 726 E N -0.775 119.334 120.200 -0.150 0.000 2.204 726 E HA -0.120 4.231 4.350 0.002 0.000 0.194 726 E C 1.806 178.368 176.600 -0.063 0.000 0.989 726 E CA 0.938 57.277 56.400 -0.102 0.000 0.824 726 E CB -0.041 29.603 29.700 -0.093 0.000 0.756 726 E HN 0.505 nan 8.360 nan 0.000 0.477 727 G N -0.110 108.661 108.800 -0.049 0.000 2.650 727 G HA2 0.081 4.042 3.960 0.002 0.000 0.214 727 G HA3 0.081 4.042 3.960 0.002 0.000 0.214 727 G C 1.070 176.002 174.900 0.054 0.000 1.136 727 G CA 0.429 45.515 45.100 -0.023 0.000 0.789 727 G HN 0.420 nan 8.290 nan 0.000 0.536 728 G N -1.532 107.292 108.800 0.040 0.000 2.192 728 G HA2 0.190 4.151 3.960 0.002 0.000 0.193 728 G HA3 0.190 4.151 3.960 0.002 0.000 0.193 728 G C 0.507 175.338 174.900 -0.114 0.000 0.999 728 G CA 0.149 45.282 45.100 0.056 0.000 0.659 728 G HN 1.222 nan 8.290 nan 0.000 0.503 729 A N 0.408 123.107 122.820 -0.201 0.000 2.483 729 A HA 0.492 4.813 4.320 0.002 0.000 0.238 729 A C 1.038 178.418 177.584 -0.340 0.000 1.070 729 A CA 0.926 52.537 52.037 -0.710 0.000 0.770 729 A CB 0.248 19.148 19.000 -0.166 0.000 1.008 729 A HN 0.241 nan 8.150 nan 0.000 0.497 730 D N 0.709 120.770 120.400 -0.564 0.000 2.339 730 D HA 0.290 4.931 4.640 0.002 0.000 0.217 730 D C 0.797 177.020 176.300 -0.128 0.000 1.050 730 D CA 1.439 55.314 54.000 -0.208 0.000 0.856 730 D CB 0.461 41.078 40.800 -0.304 0.000 0.922 730 D HN 0.814 nan 8.370 nan 0.000 0.518 731 G N 0.058 108.719 108.800 -0.232 0.000 2.320 731 G HA2 0.370 4.330 3.960 0.002 0.000 0.296 731 G HA3 0.370 4.330 3.960 0.002 0.000 0.296 731 G C -1.585 173.149 174.900 -0.277 0.000 1.306 731 G CA -0.320 44.349 45.100 -0.718 0.000 0.836 731 G HN 0.079 nan 8.290 nan 0.000 0.517 732 V N -3.085 116.625 119.914 -0.340 0.000 3.007 732 V HA 0.923 5.043 4.120 0.002 0.000 0.311 732 V C -0.355 175.676 176.094 -0.106 0.000 1.120 732 V CA -0.804 61.462 62.300 -0.056 0.000 0.980 732 V CB 1.641 33.507 31.823 0.071 0.000 1.033 732 V HN 0.950 nan 8.190 nan 0.000 0.429 733 T N 3.168 117.712 114.554 -0.017 0.000 2.756 733 T HA 0.787 5.138 4.350 0.002 0.000 0.290 733 T C -0.045 174.656 174.700 0.001 0.000 0.985 733 T CA 0.191 62.268 62.100 -0.038 0.000 0.955 733 T CB 1.094 69.970 68.868 0.012 0.000 0.930 733 T HN 1.404 nan 8.240 nan 0.000 0.451 734 A N 3.407 126.220 122.820 -0.010 0.000 2.332 734 A HA 0.820 5.141 4.320 0.002 0.000 0.300 734 A C 0.304 177.900 177.584 0.020 0.000 1.153 734 A CA -0.743 51.310 52.037 0.026 0.000 0.764 734 A CB 0.879 19.910 19.000 0.052 0.000 1.174 734 A HN 0.835 nan 8.150 nan 0.000 0.467 735 T N -0.471 114.100 114.554 0.028 0.000 2.778 735 T HA 0.508 4.859 4.350 0.002 0.000 0.293 735 T C -0.104 174.615 174.700 0.033 0.000 1.144 735 T CA -0.869 61.255 62.100 0.039 0.000 1.010 735 T CB 1.131 70.031 68.868 0.054 0.000 1.325 735 T HN 0.450 nan 8.240 nan 0.000 0.515 736 N N 0.490 119.213 118.700 0.039 0.000 2.328 736 N HA 0.311 5.052 4.740 0.002 0.000 0.277 736 N C 0.278 175.811 175.510 0.038 0.000 1.286 736 N CA 0.237 53.309 53.050 0.037 0.000 0.949 736 N CB 1.020 39.531 38.487 0.041 0.000 1.136 736 N HN 0.970 nan 8.380 nan 0.000 0.550 737 T N -1.774 112.802 114.554 0.038 0.000 2.856 737 T HA 0.261 4.612 4.350 0.002 0.000 0.306 737 T C 0.404 175.126 174.700 0.036 0.000 1.062 737 T CA -0.659 61.466 62.100 0.041 0.000 1.083 737 T CB 0.370 69.264 68.868 0.043 0.000 0.984 737 T HN 0.111 nan 8.240 nan 0.000 0.542 738 V N 2.307 122.242 119.914 0.036 0.000 2.465 738 V HA 0.353 4.474 4.120 0.002 0.000 0.279 738 V C 0.853 176.955 176.094 0.013 0.000 1.045 738 V CA -0.670 61.644 62.300 0.022 0.000 0.938 738 V CB 1.348 33.185 31.823 0.022 0.000 0.986 738 V HN 1.122 nan 8.190 nan 0.000 0.467 739 S N 3.523 119.220 115.700 -0.006 0.000 2.533 739 S HA 0.594 5.065 4.470 0.002 0.000 0.282 739 S C 0.284 174.853 174.600 -0.052 0.000 1.304 739 S CA 0.454 58.640 58.200 -0.023 0.000 1.063 739 S CB 0.058 63.222 63.200 -0.059 0.000 0.881 739 S HN 1.216 nan 8.310 nan 0.000 0.493 740 G N 2.551 111.341 108.800 -0.016 0.000 2.550 740 G HA2 0.521 4.482 3.960 0.002 0.000 0.293 740 G HA3 0.521 4.482 3.960 0.002 0.000 0.293 740 G C -2.205 172.749 174.900 0.090 0.000 1.402 740 G CA -0.743 44.349 45.100 -0.014 0.000 0.784 740 G HN 0.758 nan 8.290 nan 0.000 0.482 741 L N 0.574 121.854 121.223 0.096 0.000 2.372 741 L HA 0.604 4.945 4.340 0.002 0.000 0.274 741 L C 1.153 178.079 176.870 0.093 0.000 0.988 741 L CA -0.730 54.201 54.840 0.152 0.000 0.833 741 L CB 1.902 44.086 42.059 0.209 0.000 1.236 741 L HN 0.628 nan 8.230 nan 0.000 0.410 742 M N 3.065 122.718 119.600 0.088 0.000 2.296 742 M HA 0.400 4.881 4.480 0.002 0.000 0.265 742 M C 0.657 177.009 176.300 0.086 0.000 1.064 742 M CA 1.201 56.548 55.300 0.078 0.000 1.109 742 M CB -0.311 32.341 32.600 0.086 0.000 1.396 742 M HN 0.695 nan 8.290 nan 0.000 0.430 743 G N -1.383 107.480 108.800 0.105 0.000 2.337 743 G HA2 0.406 4.367 3.960 0.002 0.000 0.298 743 G HA3 0.406 4.367 3.960 0.002 0.000 0.298 743 G C -2.100 172.872 174.900 0.120 0.000 1.335 743 G CA -0.972 44.188 45.100 0.100 0.000 0.875 743 G HN 0.220 nan 8.290 nan 0.000 0.579 744 L N -0.115 121.165 121.223 0.095 0.000 2.371 744 L HA 0.577 4.918 4.340 0.002 0.000 0.262 744 L C 0.401 177.312 176.870 0.069 0.000 1.006 744 L CA -1.096 53.799 54.840 0.092 0.000 0.818 744 L CB 2.428 44.527 42.059 0.067 0.000 1.354 744 L HN 0.497 nan 8.230 nan 0.000 0.415 745 K N 0.275 120.712 120.400 0.062 0.000 2.120 745 K HA 0.364 4.685 4.320 0.002 0.000 0.245 745 K C 0.923 177.535 176.600 0.019 0.000 1.024 745 K CA 0.048 56.350 56.287 0.025 0.000 0.906 745 K CB 0.913 33.418 32.500 0.007 0.000 1.051 745 K HN 0.743 nan 8.250 nan 0.000 0.491 746 A N 1.417 124.240 122.820 0.005 0.000 2.076 746 A HA -0.172 4.149 4.320 0.002 0.000 0.220 746 A C 1.271 178.859 177.584 0.007 0.000 1.160 746 A CA 2.068 54.108 52.037 0.004 0.000 0.653 746 A CB -0.564 18.434 19.000 -0.003 0.000 0.801 746 A HN 0.838 nan 8.150 nan 0.000 0.455 747 D N -2.575 117.829 120.400 0.008 0.000 2.340 747 D HA 0.284 4.925 4.640 0.002 0.000 0.220 747 D C 1.173 177.483 176.300 0.017 0.000 1.039 747 D CA 0.933 54.939 54.000 0.009 0.000 0.866 747 D CB -0.454 40.350 40.800 0.007 0.000 0.913 747 D HN 0.721 nan 8.370 nan 0.000 0.523 748 G N 0.137 108.951 108.800 0.024 0.000 2.213 748 G HA2 -0.267 3.694 3.960 0.002 0.000 0.236 748 G HA3 -0.267 3.694 3.960 0.002 0.000 0.236 748 G C 0.518 175.443 174.900 0.041 0.000 0.991 748 G CA 0.355 45.473 45.100 0.030 0.000 0.629 748 G HN 0.781 nan 8.290 nan 0.000 0.517 749 T N 0.929 115.512 114.554 0.048 0.000 2.907 749 T HA 0.616 4.967 4.350 0.002 0.000 0.298 749 T C -1.667 173.095 174.700 0.103 0.000 1.017 749 T CA -0.764 61.377 62.100 0.068 0.000 1.118 749 T CB 2.569 71.480 68.868 0.071 0.000 0.948 749 T HN 0.307 nan 8.240 nan 0.000 0.531 750 P HA 0.276 nan 4.420 nan 0.000 0.279 750 P C -1.164 176.312 177.300 0.292 0.000 1.276 750 P CA -0.885 62.307 63.100 0.153 0.000 0.801 750 P CB 1.124 32.873 31.700 0.082 0.000 1.127 751 W N 2.112 123.427 121.300 0.024 0.000 3.036 751 W HA 0.261 4.922 4.660 0.002 0.000 0.337 751 W C -2.680 173.862 176.519 0.037 0.000 1.055 751 W CA -2.253 55.110 57.345 0.030 0.000 1.248 751 W CB 2.313 31.794 29.460 0.035 0.000 1.335 751 W HN 0.272 nan 8.180 nan 0.000 0.446 752 P HA 0.240 nan 4.420 nan 0.000 0.271 752 P C -0.859 176.260 177.300 -0.301 0.000 1.218 752 P CA 0.085 62.652 63.100 -0.887 0.000 0.780 752 P CB 1.562 32.834 31.700 -0.713 0.000 0.901 753 A N 3.109 125.824 122.820 -0.175 0.000 2.304 753 A HA 0.539 4.860 4.320 0.002 0.000 0.314 753 A C -0.538 177.042 177.584 -0.006 0.000 1.187 753 A CA -0.653 51.415 52.037 0.051 0.000 0.810 753 A CB 0.903 20.056 19.000 0.255 0.000 1.183 753 A HN 0.331 nan 8.150 nan 0.000 0.487 754 V N 2.491 122.390 119.914 -0.025 0.000 2.459 754 V HA 0.772 4.893 4.120 0.002 0.000 0.295 754 V C 0.914 177.008 176.094 -0.001 0.000 1.029 754 V CA 0.675 62.959 62.300 -0.027 0.000 0.874 754 V CB 0.611 32.403 31.823 -0.053 0.000 0.985 754 V HN 2.073 nan 8.190 nan 0.000 0.438 755 G N 4.053 112.858 108.800 0.009 0.000 2.855 755 G HA2 0.122 4.083 3.960 0.002 0.000 0.352 755 G HA3 0.122 4.083 3.960 0.002 0.000 0.352 755 G C 0.825 175.738 174.900 0.022 0.000 1.415 755 G CA -0.000 45.107 45.100 0.012 0.000 0.871 755 G HN 1.528 nan 8.290 nan 0.000 0.543 756 A N -0.636 122.194 122.820 0.017 0.000 1.972 756 A HA 0.256 4.576 4.320 0.002 0.000 0.219 756 A C 2.758 180.353 177.584 0.019 0.000 1.169 756 A CA 2.525 54.574 52.037 0.019 0.000 0.635 756 A CB -0.739 18.269 19.000 0.013 0.000 0.810 756 A HN 2.365 nan 8.150 nan 0.000 0.446 757 G N -1.169 107.639 108.800 0.013 0.000 2.744 757 G HA2 0.109 4.069 3.960 0.002 0.000 0.211 757 G HA3 0.109 4.069 3.960 0.002 0.000 0.211 757 G C 0.636 175.546 174.900 0.017 0.000 1.143 757 G CA 0.408 45.515 45.100 0.011 0.000 0.788 757 G HN 0.560 nan 8.290 nan 0.000 0.534 758 K N -0.165 120.252 120.400 0.028 0.000 3.148 758 K HA -0.193 4.128 4.320 0.002 0.000 0.267 758 K C 0.313 176.930 176.600 0.028 0.000 0.996 758 K CA 0.436 56.751 56.287 0.046 0.000 0.737 758 K CB -0.984 31.552 32.500 0.060 0.000 1.308 758 K HN 0.471 nan 8.250 nan 0.000 0.470 759 R N -0.095 120.407 120.500 0.004 0.000 2.553 759 R HA 0.549 4.890 4.340 0.002 0.000 0.263 759 R C 0.503 176.780 176.300 -0.037 0.000 1.066 759 R CA -0.443 55.646 56.100 -0.019 0.000 1.135 759 R CB 1.616 31.898 30.300 -0.029 0.000 1.148 759 R HN 0.174 nan 8.270 nan 0.000 0.558 760 T N -1.105 113.412 114.554 -0.062 0.000 2.711 760 T HA 0.371 4.722 4.350 0.002 0.000 0.302 760 T C -1.428 173.193 174.700 -0.133 0.000 1.373 760 T CA -0.392 61.656 62.100 -0.086 0.000 1.000 760 T CB 2.067 70.895 68.868 -0.067 0.000 1.483 760 T HN 0.545 nan 8.240 nan 0.000 0.499 761 T N 0.189 114.657 114.554 -0.144 0.000 2.843 761 T HA 0.621 4.972 4.350 0.002 0.000 0.302 761 T C -1.448 173.161 174.700 -0.151 0.000 1.232 761 T CA -0.501 61.466 62.100 -0.222 0.000 1.009 761 T CB 0.665 69.452 68.868 -0.136 0.000 1.254 761 T HN 0.511 nan 8.240 nan 0.000 0.504 762 Y N 0.948 121.242 120.300 -0.010 0.000 2.712 762 Y HA 0.411 4.962 4.550 0.002 0.000 0.333 762 Y C 1.401 177.294 175.900 -0.010 0.000 1.225 762 Y CA 0.105 58.200 58.100 -0.007 0.000 1.499 762 Y CB 0.523 38.981 38.460 -0.003 0.000 1.288 762 Y HN 0.756 nan 8.280 nan 0.000 0.575 763 G N 0.858 109.758 108.800 0.167 0.000 2.932 763 G HA2 0.584 4.545 3.960 0.002 0.000 0.283 763 G HA3 0.584 4.545 3.960 0.002 0.000 0.283 763 G C -0.755 174.190 174.900 0.074 0.000 1.336 763 G CA -0.772 44.378 45.100 0.084 0.000 1.056 763 G HN 0.808 nan 8.290 nan 0.000 0.522 764 G N -0.995 107.838 108.800 0.054 0.000 2.368 764 G HA2 0.498 4.459 3.960 0.002 0.000 0.320 764 G HA3 0.498 4.459 3.960 0.002 0.000 0.320 764 G C -0.662 174.274 174.900 0.060 0.000 1.158 764 G CA -0.236 44.894 45.100 0.050 0.000 0.912 764 G HN 0.575 nan 8.290 nan 0.000 0.456 765 V N 2.185 122.133 119.914 0.057 0.000 2.498 765 V HA 0.582 4.703 4.120 0.002 0.000 0.279 765 V C 0.594 176.736 176.094 0.080 0.000 1.048 765 V CA -0.310 62.031 62.300 0.069 0.000 0.967 765 V CB 0.843 32.695 31.823 0.049 0.000 0.988 765 V HN 0.995 nan 8.190 nan 0.000 0.473 766 S N 2.995 118.765 115.700 0.116 0.000 2.709 766 S HA 1.017 5.488 4.470 0.002 0.000 0.302 766 S C -0.047 174.646 174.600 0.155 0.000 1.127 766 S CA -0.081 58.196 58.200 0.128 0.000 0.905 766 S CB 2.005 65.287 63.200 0.138 0.000 1.151 766 S HN 2.113 nan 8.310 nan 0.000 0.510 767 G N 0.428 109.319 108.800 0.151 0.000 2.549 767 G HA2 -0.043 3.918 3.960 0.002 0.000 0.404 767 G HA3 -0.043 3.918 3.960 0.002 0.000 0.404 767 G C 0.579 175.542 174.900 0.105 0.000 1.292 767 G CA 0.562 45.751 45.100 0.149 0.000 0.935 767 G HN 1.920 nan 8.290 nan 0.000 0.512 768 T N -1.689 112.919 114.554 0.088 0.000 2.849 768 T HA 0.157 4.508 4.350 0.002 0.000 0.270 768 T C 2.587 177.324 174.700 0.061 0.000 1.066 768 T CA 2.526 64.674 62.100 0.080 0.000 1.130 768 T CB -0.386 68.520 68.868 0.062 0.000 0.864 768 T HN 2.101 nan 8.240 nan 0.000 0.481 769 A N 2.107 124.951 122.820 0.039 0.000 2.019 769 A HA 0.151 4.472 4.320 0.002 0.000 0.219 769 A C 2.294 179.903 177.584 0.042 0.000 1.164 769 A CA 1.359 53.411 52.037 0.026 0.000 0.644 769 A CB -0.820 18.184 19.000 0.007 0.000 0.805 769 A HN 0.900 nan 8.150 nan 0.000 0.449 770 I N -4.483 116.124 120.570 0.062 0.000 3.956 770 I HA 0.255 4.426 4.170 0.002 0.000 0.333 770 I C 1.792 177.971 176.117 0.103 0.000 1.302 770 I CA 0.162 61.505 61.300 0.071 0.000 1.122 770 I CB -0.044 37.999 38.000 0.071 0.000 1.013 770 I HN 0.176 nan 8.210 nan 0.000 0.405 771 R N 2.159 122.732 120.500 0.122 0.000 2.105 771 R HA -0.081 4.260 4.340 0.002 0.000 0.239 771 R C -0.570 175.802 176.300 0.119 0.000 1.135 771 R CA 1.988 58.200 56.100 0.187 0.000 0.967 771 R CB -1.146 29.263 30.300 0.182 0.000 0.861 771 R HN 0.323 nan 8.270 nan 0.000 0.442 772 P HA -0.110 nan 4.420 nan 0.000 0.218 772 P C 1.037 178.356 177.300 0.032 0.000 1.149 772 P CA 1.242 64.355 63.100 0.020 0.000 0.817 772 P CB 0.010 31.719 31.700 0.015 0.000 0.785 773 I N -0.828 119.776 120.570 0.056 0.000 2.286 773 I HA -0.188 3.983 4.170 0.002 0.000 0.245 773 I C 2.307 178.477 176.117 0.087 0.000 1.104 773 I CA 1.331 62.666 61.300 0.058 0.000 1.397 773 I CB -0.755 37.277 38.000 0.053 0.000 1.072 773 I HN -0.095 nan 8.210 nan 0.000 0.417 774 A N 0.563 123.471 122.820 0.146 0.000 1.930 774 A HA -0.171 4.150 4.320 0.002 0.000 0.217 774 A C 2.217 179.961 177.584 0.267 0.000 1.175 774 A CA 1.258 53.436 52.037 0.235 0.000 0.627 774 A CB -0.688 18.510 19.000 0.331 0.000 0.815 774 A HN 0.329 nan 8.150 nan 0.000 0.443 775 L N -0.028 121.258 121.223 0.105 0.000 2.083 775 L HA -0.107 4.234 4.340 0.002 0.000 0.209 775 L C 2.503 179.344 176.870 -0.048 0.000 1.083 775 L CA 2.223 56.962 54.840 -0.167 0.000 0.752 775 L CB -0.591 41.256 42.059 -0.354 0.000 0.899 775 L HN 0.521 nan 8.230 nan 0.000 0.433 776 R N -0.731 119.768 120.500 -0.002 0.000 2.073 776 R HA -0.160 4.181 4.340 0.002 0.000 0.234 776 R C 2.151 178.471 176.300 0.033 0.000 1.134 776 R CA 1.442 57.548 56.100 0.010 0.000 0.952 776 R CB -0.368 29.943 30.300 0.017 0.000 0.850 776 R HN 0.407 nan 8.270 nan 0.000 0.433 777 A N 0.522 123.377 122.820 0.058 0.000 1.883 777 A HA -0.122 4.199 4.320 0.002 0.000 0.217 777 A C 2.314 179.944 177.584 0.076 0.000 1.186 777 A CA 1.773 53.851 52.037 0.068 0.000 0.624 777 A CB -0.731 18.317 19.000 0.081 0.000 0.822 777 A HN 0.240 nan 8.150 nan 0.000 0.444 778 V N -0.263 119.715 119.914 0.106 0.000 2.295 778 V HA -0.243 3.878 4.120 0.002 0.000 0.246 778 V C 2.769 178.902 176.094 0.065 0.000 1.049 778 V CA 2.542 64.907 62.300 0.109 0.000 1.024 778 V CB -1.281 30.664 31.823 0.203 0.000 0.648 778 V HN 0.625 nan 8.190 nan 0.000 0.447 779 T N -1.263 113.313 114.554 0.036 0.000 2.746 779 T HA -0.220 4.131 4.350 0.002 0.000 0.267 779 T C 1.992 176.708 174.700 0.027 0.000 1.039 779 T CA 2.104 64.217 62.100 0.021 0.000 1.142 779 T CB -0.370 68.498 68.868 -0.000 0.000 0.866 779 T HN 0.542 nan 8.240 nan 0.000 0.444 780 T N 1.194 115.766 114.554 0.030 0.000 2.821 780 T HA 0.044 4.395 4.350 0.002 0.000 0.267 780 T C 1.938 176.659 174.700 0.036 0.000 1.046 780 T CA 0.715 62.832 62.100 0.029 0.000 1.139 780 T CB -0.439 68.445 68.868 0.027 0.000 0.871 780 T HN 0.317 nan 8.240 nan 0.000 0.454 781 I N 1.028 121.629 120.570 0.051 0.000 2.252 781 I HA -0.065 4.106 4.170 0.002 0.000 0.245 781 I C 2.895 179.058 176.117 0.076 0.000 1.102 781 I CA 1.084 62.426 61.300 0.071 0.000 1.385 781 I CB -0.456 37.601 38.000 0.096 0.000 1.064 781 I HN 0.241 nan 8.210 nan 0.000 0.414 782 A N 0.854 123.712 122.820 0.063 0.000 1.972 782 A HA -0.186 4.135 4.320 0.002 0.000 0.219 782 A C 2.377 179.984 177.584 0.039 0.000 1.169 782 A CA 1.444 53.514 52.037 0.055 0.000 0.635 782 A CB -0.492 18.531 19.000 0.040 0.000 0.810 782 A HN 0.334 nan 8.150 nan 0.000 0.446 783 R N -0.832 119.684 120.500 0.027 0.000 2.093 783 R HA 0.074 4.415 4.340 0.002 0.000 0.224 783 R C 2.410 178.715 176.300 0.009 0.000 1.101 783 R CA 1.016 57.123 56.100 0.012 0.000 0.979 783 R CB -0.306 29.998 30.300 0.007 0.000 0.877 783 R HN 0.487 nan 8.270 nan 0.000 0.441 784 A N 0.826 123.655 122.820 0.014 0.000 1.930 784 A HA 0.053 4.373 4.320 0.002 0.000 0.215 784 A C 1.131 178.711 177.584 -0.008 0.000 1.176 784 A CA 0.729 52.767 52.037 0.001 0.000 0.632 784 A CB 0.159 19.160 19.000 0.001 0.000 0.819 784 A HN 0.137 nan 8.150 nan 0.000 0.445 785 L N 0.667 121.899 121.223 0.016 0.000 2.581 785 L HA 0.296 4.637 4.340 0.002 0.000 0.241 785 L C -2.803 174.107 176.870 0.067 0.000 1.265 785 L CA -1.909 52.936 54.840 0.009 0.000 0.954 785 L CB 1.238 43.288 42.059 -0.015 0.000 1.269 785 L HN -0.024 nan 8.230 nan 0.000 0.475 786 P HA 0.053 nan 4.420 nan 0.000 0.261 786 P C 1.082 178.420 177.300 0.063 0.000 1.183 786 P CA 0.938 64.062 63.100 0.039 0.000 0.761 786 P CB 0.893 32.600 31.700 0.013 0.000 0.785 787 G N 2.695 111.536 108.800 0.068 0.000 2.225 787 G HA2 -0.299 3.661 3.960 0.002 0.000 0.254 787 G HA3 -0.299 3.661 3.960 0.002 0.000 0.254 787 G C 0.076 175.054 174.900 0.130 0.000 0.988 787 G CA -0.458 44.685 45.100 0.072 0.000 0.625 787 G HN 0.526 nan 8.290 nan 0.000 0.527 788 F N 4.014 123.950 119.950 -0.023 0.000 2.502 788 F HA 0.538 5.065 4.527 0.002 0.000 0.371 788 F C -1.576 174.204 175.800 -0.032 0.000 1.083 788 F CA -2.818 55.168 58.000 -0.023 0.000 1.174 788 F CB 0.542 39.528 39.000 -0.023 0.000 1.096 788 F HN -0.056 nan 8.300 nan 0.000 0.545 789 P HA 0.088 nan 4.420 nan 0.000 0.262 789 P C -0.745 176.249 177.300 -0.510 0.000 1.182 789 P CA 0.672 63.532 63.100 -0.400 0.000 0.761 789 P CB 0.280 31.773 31.700 -0.345 0.000 0.795 790 I N 3.796 124.157 120.570 -0.348 0.000 2.466 790 I HA 0.265 4.436 4.170 0.002 0.000 0.289 790 I C -0.608 175.320 176.117 -0.314 0.000 1.026 790 I CA -0.934 60.193 61.300 -0.287 0.000 1.078 790 I CB 1.704 39.627 38.000 -0.128 0.000 1.249 790 I HN 0.023 nan 8.210 nan 0.000 0.429 791 L N 6.061 127.082 121.223 -0.337 0.000 2.265 791 L HA 0.638 4.979 4.340 0.002 0.000 0.289 791 L C 0.409 177.170 176.870 -0.182 0.000 1.033 791 L CA -0.056 54.592 54.840 -0.320 0.000 0.814 791 L CB 1.424 43.255 42.059 -0.380 0.000 1.203 791 L HN 0.643 nan 8.230 nan 0.000 0.423 792 A N 2.183 124.897 122.820 -0.178 0.000 2.316 792 A HA 0.795 5.116 4.320 0.002 0.000 0.284 792 A C 0.131 177.537 177.584 -0.296 0.000 1.115 792 A CA -0.153 51.745 52.037 -0.233 0.000 0.812 792 A CB 0.839 19.636 19.000 -0.339 0.000 1.064 792 A HN 0.675 nan 8.150 nan 0.000 0.489 793 T N -0.958 113.412 114.554 -0.306 0.000 3.193 793 T HA 0.610 4.961 4.350 0.002 0.000 0.332 793 T C -0.519 174.073 174.700 -0.180 0.000 1.208 793 T CA 0.416 62.380 62.100 -0.226 0.000 1.080 793 T CB 0.920 69.741 68.868 -0.077 0.000 1.180 793 T HN 2.490 nan 8.240 nan 0.000 0.469 794 G N 1.144 109.853 108.800 -0.151 0.000 2.273 794 G HA2 0.478 4.439 3.960 0.002 0.000 0.208 794 G HA3 0.478 4.439 3.960 0.002 0.000 0.208 794 G C 0.779 175.723 174.900 0.074 0.000 1.779 794 G CA 0.495 45.597 45.100 0.003 0.000 1.173 794 G HN 2.279 nan 8.290 nan 0.000 0.616 795 G N -0.041 108.805 108.800 0.076 0.000 2.137 795 G HA2 -0.210 3.751 3.960 0.002 0.000 0.237 795 G HA3 -0.210 3.751 3.960 0.002 0.000 0.237 795 G C 0.471 175.446 174.900 0.126 0.000 1.002 795 G CA 0.309 45.484 45.100 0.125 0.000 0.702 795 G HN 1.384 nan 8.290 nan 0.000 0.515 796 I N 1.633 122.225 120.570 0.038 0.000 2.379 796 I HA 0.324 4.495 4.170 0.002 0.000 0.290 796 I C 0.542 176.674 176.117 0.025 0.000 1.063 796 I CA 0.241 61.554 61.300 0.021 0.000 1.351 796 I CB 0.919 38.865 38.000 -0.090 0.000 1.410 796 I HN 0.271 nan 8.210 nan 0.000 0.505 797 D N 3.456 123.851 120.400 -0.009 0.000 2.636 797 D HA 0.134 4.775 4.640 0.002 0.000 0.270 797 D C -0.228 176.022 176.300 -0.084 0.000 1.430 797 D CA -0.210 53.807 54.000 0.028 0.000 0.796 797 D CB 0.294 41.169 40.800 0.124 0.000 1.117 797 D HN 0.452 nan 8.370 nan 0.000 0.480 798 S N -2.243 113.224 115.700 -0.388 0.000 2.627 798 S HA 0.590 5.061 4.470 0.002 0.000 0.268 798 S C 0.766 175.178 174.600 -0.313 0.000 1.130 798 S CA -0.442 57.573 58.200 -0.308 0.000 0.819 798 S CB 0.931 64.115 63.200 -0.027 0.000 1.100 798 S HN 0.157 nan 8.310 nan 0.000 0.465 799 A N 0.742 123.487 122.820 -0.125 0.000 1.930 799 A HA -0.020 4.301 4.320 0.002 0.000 0.217 799 A C 1.943 179.571 177.584 0.073 0.000 1.175 799 A CA 1.843 53.912 52.037 0.054 0.000 0.627 799 A CB -1.119 17.943 19.000 0.103 0.000 0.815 799 A HN 0.946 nan 8.150 nan 0.000 0.443 800 E N 0.649 120.871 120.200 0.036 0.000 2.038 800 E HA -0.209 4.142 4.350 0.002 0.000 0.195 800 E C 2.216 178.850 176.600 0.057 0.000 1.000 800 E CA 1.963 58.389 56.400 0.043 0.000 0.803 800 E CB -0.175 29.543 29.700 0.030 0.000 0.750 800 E HN 0.706 nan 8.360 nan 0.000 0.448 801 S N -0.209 115.527 115.700 0.061 0.000 2.399 801 S HA -0.062 4.409 4.470 0.002 0.000 0.231 801 S C 2.177 176.903 174.600 0.211 0.000 1.022 801 S CA 0.986 59.259 58.200 0.121 0.000 0.983 801 S CB -0.763 62.514 63.200 0.129 0.000 0.803 801 S HN 0.406 nan 8.310 nan 0.000 0.480 802 G N 1.984 110.875 108.800 0.151 0.000 2.418 802 G HA2 -0.124 3.836 3.960 0.002 0.000 0.217 802 G HA3 -0.124 3.836 3.960 0.002 0.000 0.217 802 G C 1.357 176.314 174.900 0.095 0.000 1.158 802 G CA 0.969 46.166 45.100 0.162 0.000 0.771 802 G HN 0.481 nan 8.290 nan 0.000 0.545 803 L N 0.481 121.722 121.223 0.030 0.000 2.131 803 L HA -0.019 4.322 4.340 0.002 0.000 0.210 803 L C 2.800 179.601 176.870 -0.115 0.000 1.092 803 L CA 1.759 56.530 54.840 -0.116 0.000 0.759 803 L CB -0.542 41.440 42.059 -0.129 0.000 0.903 803 L HN 0.325 nan 8.230 nan 0.000 0.435 804 Q N -1.454 118.359 119.800 0.022 0.000 2.084 804 Q HA -0.203 4.138 4.340 0.002 0.000 0.202 804 Q C 2.167 178.138 176.000 -0.048 0.000 0.978 804 Q CA 1.974 57.783 55.803 0.011 0.000 0.844 804 Q CB -0.260 28.440 28.738 -0.063 0.000 0.898 804 Q HN 0.510 nan 8.270 nan 0.000 0.426 805 F N 0.402 120.345 119.950 -0.011 0.000 2.206 805 F HA -0.135 4.392 4.527 0.002 0.000 0.298 805 F C 2.010 177.784 175.800 -0.044 0.000 1.090 805 F CA 0.797 58.785 58.000 -0.021 0.000 1.323 805 F CB -0.073 38.906 39.000 -0.036 0.000 1.028 805 F HN 0.009 nan 8.300 nan 0.000 0.492 806 L N -0.962 120.305 121.223 0.074 0.000 2.017 806 L HA -0.265 4.076 4.340 0.002 0.000 0.208 806 L C 2.286 179.173 176.870 0.028 0.000 1.073 806 L CA 1.653 56.477 54.840 -0.027 0.000 0.745 806 L CB -0.967 41.006 42.059 -0.143 0.000 0.894 806 L HN 0.216 nan 8.230 nan 0.000 0.432 807 H N -1.148 117.929 119.070 0.011 0.000 2.457 807 H HA -0.117 4.440 4.556 0.002 0.000 0.297 807 H C 2.224 177.553 175.328 0.000 0.000 1.092 807 H CA 0.988 57.041 56.048 0.008 0.000 1.309 807 H CB 0.236 30.005 29.762 0.012 0.000 1.382 807 H HN 0.251 nan 8.280 nan 0.000 0.535 808 S N -1.138 114.626 115.700 0.108 0.000 2.562 808 S HA 0.082 4.553 4.470 0.002 0.000 0.221 808 S C 1.643 176.271 174.600 0.047 0.000 0.975 808 S CA 0.640 58.864 58.200 0.040 0.000 0.918 808 S CB 0.682 63.855 63.200 -0.045 0.000 0.772 808 S HN 0.783 nan 8.310 nan 0.000 0.531 809 G N 0.556 109.387 108.800 0.052 0.000 2.229 809 G HA2 -0.046 3.915 3.960 0.002 0.000 0.189 809 G HA3 -0.046 3.915 3.960 0.002 0.000 0.189 809 G C 0.104 175.004 174.900 -0.000 0.000 1.000 809 G CA -0.281 44.836 45.100 0.027 0.000 0.663 809 G HN 0.727 nan 8.290 nan 0.000 0.493 810 A N 0.343 123.170 122.820 0.013 0.000 2.322 810 A HA 0.819 5.139 4.320 0.002 0.000 0.269 810 A C 1.311 178.824 177.584 -0.119 0.000 1.094 810 A CA 1.048 53.055 52.037 -0.050 0.000 0.807 810 A CB 0.994 19.996 19.000 0.004 0.000 1.047 810 A HN 0.717 nan 8.150 nan 0.000 0.487 811 S N -0.790 114.782 115.700 -0.214 0.000 2.499 811 S HA 0.211 4.682 4.470 0.002 0.000 0.225 811 S C 0.700 175.072 174.600 -0.379 0.000 1.050 811 S CA 0.765 58.804 58.200 -0.269 0.000 0.928 811 S CB -0.025 62.997 63.200 -0.298 0.000 0.803 811 S HN 1.171 nan 8.310 nan 0.000 0.506 812 V N -0.340 119.308 119.914 -0.444 0.000 3.074 812 V HA 0.721 4.842 4.120 0.002 0.000 0.314 812 V C -1.452 174.502 176.094 -0.233 0.000 1.117 812 V CA -1.186 60.833 62.300 -0.469 0.000 1.014 812 V CB 1.689 32.956 31.823 -0.927 0.000 1.057 812 V HN 0.147 nan 8.190 nan 0.000 0.438 813 L N 1.871 123.052 121.223 -0.070 0.000 2.372 813 L HA 0.586 4.927 4.340 0.002 0.000 0.274 813 L C -0.257 176.699 176.870 0.143 0.000 0.988 813 L CA -0.404 54.409 54.840 -0.045 0.000 0.833 813 L CB 1.669 43.627 42.059 -0.167 0.000 1.236 813 L HN 0.710 nan 8.230 nan 0.000 0.410 814 Q N 2.378 122.228 119.800 0.083 0.000 2.235 814 Q HA 0.666 5.007 4.340 0.002 0.000 0.250 814 Q C -0.960 175.070 176.000 0.050 0.000 0.909 814 Q CA -0.634 55.215 55.803 0.077 0.000 0.910 814 Q CB 3.023 31.808 28.738 0.078 0.000 1.223 814 Q HN 0.400 nan 8.270 nan 0.000 0.432 815 V N 1.232 121.197 119.914 0.084 0.000 2.709 815 V HA 0.295 4.416 4.120 0.002 0.000 0.308 815 V C -0.241 175.872 176.094 0.032 0.000 1.062 815 V CA -0.614 61.764 62.300 0.130 0.000 0.901 815 V CB 1.613 33.676 31.823 0.400 0.000 1.003 815 V HN 1.115 nan 8.190 nan 0.000 0.425 816 C N 2.315 121.640 119.300 0.041 0.000 3.066 816 C HA 0.103 4.563 4.460 0.002 0.000 0.277 816 C C 2.613 177.606 174.990 0.004 0.000 2.279 816 C CA 1.287 60.299 59.018 -0.011 0.000 1.720 816 C CB 0.536 28.259 27.740 -0.028 0.000 1.478 816 C HN 0.826 nan 8.230 nan 0.000 0.723 817 S N 1.681 117.412 115.700 0.051 0.000 2.387 817 S HA -0.122 4.349 4.470 0.002 0.000 0.230 817 S C 1.970 176.685 174.600 0.191 0.000 1.035 817 S CA 1.784 60.058 58.200 0.124 0.000 1.014 817 S CB -0.590 62.791 63.200 0.301 0.000 0.836 817 S HN 0.874 nan 8.310 nan 0.000 0.466 818 A N 0.673 123.612 122.820 0.197 0.000 1.972 818 A HA -0.016 4.305 4.320 0.002 0.000 0.219 818 A C 2.268 179.970 177.584 0.197 0.000 1.169 818 A CA 1.307 53.486 52.037 0.236 0.000 0.635 818 A CB -0.564 18.630 19.000 0.323 0.000 0.810 818 A HN 0.377 nan 8.150 nan 0.000 0.446 819 V N -0.381 119.619 119.914 0.143 0.000 2.488 819 V HA -0.225 3.896 4.120 0.002 0.000 0.246 819 V C 2.494 178.557 176.094 -0.052 0.000 1.046 819 V CA 1.827 64.161 62.300 0.056 0.000 1.053 819 V CB -0.762 31.070 31.823 0.015 0.000 0.679 819 V HN 0.613 nan 8.190 nan 0.000 0.458 820 Q N 0.020 119.764 119.800 -0.094 0.000 2.170 820 Q HA -0.185 4.156 4.340 0.002 0.000 0.203 820 Q C 1.894 177.876 176.000 -0.030 0.000 0.976 820 Q CA 1.276 56.958 55.803 -0.202 0.000 0.858 820 Q CB -0.208 28.199 28.738 -0.552 0.000 0.907 820 Q HN 0.565 nan 8.270 nan 0.000 0.433 821 N N -0.516 118.260 118.700 0.126 0.000 2.494 821 N HA -0.067 4.674 4.740 0.002 0.000 0.182 821 N C 0.962 176.532 175.510 0.100 0.000 1.076 821 N CA 0.720 53.894 53.050 0.206 0.000 0.908 821 N CB 0.536 39.167 38.487 0.240 0.000 0.967 821 N HN 0.194 nan 8.380 nan 0.000 0.449 822 Q N -0.081 119.747 119.800 0.047 0.000 2.012 822 Q HA 0.179 4.520 4.340 0.002 0.000 0.206 822 Q C -1.509 174.461 176.000 -0.049 0.000 0.627 822 Q CA 0.107 55.919 55.803 0.014 0.000 0.597 822 Q CB 0.572 29.334 28.738 0.039 0.000 2.100 822 Q HN 0.205 nan 8.270 nan 0.000 0.196 823 D N -2.278 118.094 120.400 -0.048 0.000 2.769 823 D HA 0.183 4.824 4.640 0.002 0.000 0.309 823 D C -0.284 176.028 176.300 0.021 0.000 1.315 823 D CA -0.607 53.312 54.000 -0.135 0.000 0.780 823 D CB -0.587 40.151 40.800 -0.103 0.000 1.312 823 D HN 0.236 nan 8.370 nan 0.000 0.437 824 F N -0.289 119.705 119.950 0.074 0.000 2.333 824 F HA -0.109 4.419 4.527 0.002 0.000 0.300 824 F C 2.578 178.536 175.800 0.264 0.000 1.083 824 F CA 1.151 59.290 58.000 0.231 0.000 1.395 824 F CB -0.078 39.010 39.000 0.147 0.000 1.056 824 F HN 0.566 nan 8.300 nan 0.000 0.529 825 T N -1.918 112.782 114.554 0.243 0.000 3.025 825 T HA -0.129 4.222 4.350 0.002 0.000 0.270 825 T C 1.839 176.476 174.700 -0.106 0.000 1.126 825 T CA 1.017 63.159 62.100 0.069 0.000 1.105 825 T CB -1.169 67.715 68.868 0.026 0.000 0.884 825 T HN 0.276 nan 8.240 nan 0.000 0.522 826 V N -0.629 119.195 119.914 -0.150 0.000 2.828 826 V HA -0.039 4.082 4.120 0.002 0.000 0.260 826 V C 2.304 177.771 176.094 -1.044 0.000 1.101 826 V CA 1.129 63.116 62.300 -0.522 0.000 1.123 826 V CB -1.381 30.125 31.823 -0.529 0.000 0.704 826 V HN 0.442 nan 8.190 nan 0.000 0.493 827 I N 0.901 120.940 120.570 -0.885 0.000 2.264 827 I HA -0.225 3.946 4.170 0.002 0.000 0.248 827 I C 2.511 178.227 176.117 -0.669 0.000 1.111 827 I CA 2.098 62.692 61.300 -1.177 0.000 1.382 827 I CB -0.672 36.459 38.000 -1.448 0.000 1.060 827 I HN 0.467 nan 8.210 nan 0.000 0.418 828 Q N 0.381 119.934 119.800 -0.412 0.000 2.084 828 Q HA -0.292 4.049 4.340 0.002 0.000 0.202 828 Q C 1.891 177.771 176.000 -0.199 0.000 0.978 828 Q CA 2.431 58.098 55.803 -0.226 0.000 0.844 828 Q CB -0.465 28.193 28.738 -0.134 0.000 0.898 828 Q HN 0.692 nan 8.270 nan 0.000 0.426 829 D N -0.920 119.326 120.400 -0.257 0.000 2.117 829 D HA -0.162 4.479 4.640 0.002 0.000 0.198 829 D C 1.837 178.109 176.300 -0.047 0.000 0.982 829 D CA 1.360 55.284 54.000 -0.126 0.000 0.828 829 D CB -0.308 40.428 40.800 -0.107 0.000 0.967 829 D HN 0.450 nan 8.370 nan 0.000 0.464 830 Y N -0.260 119.798 120.300 -0.403 0.000 2.181 830 Y HA -0.198 4.353 4.550 0.002 0.000 0.288 830 Y C 2.799 178.434 175.900 -0.441 0.000 1.146 830 Y CA 0.444 58.143 58.100 -0.669 0.000 1.164 830 Y CB -0.290 37.241 38.460 -1.548 0.000 0.982 830 Y HN 0.191 nan 8.280 nan 0.000 0.515 831 C N -0.110 119.091 119.300 -0.165 0.000 2.453 831 C HA -0.167 4.294 4.460 0.002 0.000 0.277 831 C C 2.978 178.025 174.990 0.096 0.000 1.262 831 C CA 1.816 60.861 59.018 0.044 0.000 1.718 831 C CB -1.213 26.535 27.740 0.013 0.000 2.031 831 C HN 0.675 nan 8.230 nan 0.000 0.480 832 T N -0.692 113.910 114.554 0.079 0.000 2.821 832 T HA -0.030 4.321 4.350 0.002 0.000 0.267 832 T C 1.928 176.755 174.700 0.212 0.000 1.046 832 T CA 1.787 63.994 62.100 0.179 0.000 1.139 832 T CB -0.763 68.215 68.868 0.184 0.000 0.871 832 T HN 0.522 nan 8.240 nan 0.000 0.454 833 G N 1.395 110.287 108.800 0.153 0.000 2.402 833 G HA2 -0.061 3.900 3.960 0.002 0.000 0.216 833 G HA3 -0.061 3.900 3.960 0.002 0.000 0.216 833 G C 1.443 176.424 174.900 0.136 0.000 1.162 833 G CA 0.845 46.033 45.100 0.146 0.000 0.777 833 G HN 0.455 nan 8.290 nan 0.000 0.539 834 L N 0.576 121.897 121.223 0.163 0.000 2.093 834 L HA 0.134 4.475 4.340 0.002 0.000 0.208 834 L C 2.705 179.644 176.870 0.115 0.000 1.085 834 L CA 1.753 56.694 54.840 0.168 0.000 0.755 834 L CB -0.453 41.772 42.059 0.277 0.000 0.904 834 L HN 0.127 nan 8.230 nan 0.000 0.435 835 K N -0.650 119.814 120.400 0.107 0.000 2.057 835 K HA -0.139 4.182 4.320 0.002 0.000 0.207 835 K C 2.079 178.689 176.600 0.016 0.000 1.049 835 K CA 1.397 57.720 56.287 0.059 0.000 0.931 835 K CB -0.396 32.128 32.500 0.040 0.000 0.714 835 K HN 0.461 nan 8.250 nan 0.000 0.440 836 A N 1.495 124.300 122.820 -0.024 0.000 1.877 836 A HA -0.136 4.185 4.320 0.002 0.000 0.216 836 A C 2.155 179.785 177.584 0.076 0.000 1.186 836 A CA 1.240 53.237 52.037 -0.066 0.000 0.620 836 A CB -0.682 18.313 19.000 -0.010 0.000 0.822 836 A HN 0.156 nan 8.150 nan 0.000 0.443 837 L N -0.621 120.656 121.223 0.090 0.000 2.042 837 L HA -0.209 4.132 4.340 0.002 0.000 0.210 837 L C 2.581 179.499 176.870 0.080 0.000 1.076 837 L CA 1.205 56.101 54.840 0.094 0.000 0.749 837 L CB -0.506 41.602 42.059 0.081 0.000 0.893 837 L HN 0.392 nan 8.230 nan 0.000 0.432 838 L N -1.981 119.287 121.223 0.074 0.000 2.072 838 L HA -0.239 4.102 4.340 0.002 0.000 0.205 838 L C 2.592 179.497 176.870 0.059 0.000 1.079 838 L CA 1.161 56.036 54.840 0.058 0.000 0.752 838 L CB -0.673 41.418 42.059 0.053 0.000 0.906 838 L HN 0.190 nan 8.230 nan 0.000 0.436 839 Y N 1.024 121.298 120.300 -0.043 0.000 2.128 839 Y HA -0.255 4.296 4.550 0.001 0.000 0.284 839 Y C 2.380 178.241 175.900 -0.064 0.000 1.154 839 Y CA 1.574 59.637 58.100 -0.063 0.000 1.149 839 Y CB -0.206 38.191 38.460 -0.106 0.000 0.976 839 Y HN -0.009 nan 8.280 nan 0.000 0.505 840 L N 0.218 121.485 121.223 0.074 0.000 2.261 840 L HA -0.242 4.098 4.340 0.002 0.000 0.216 840 L C 2.148 178.943 176.870 -0.125 0.000 1.114 840 L CA 1.434 56.251 54.840 -0.040 0.000 0.777 840 L CB -0.495 41.581 42.059 0.028 0.000 0.910 840 L HN 0.202 nan 8.230 nan 0.000 0.440 841 K N -0.241 120.110 120.400 -0.082 0.000 2.362 841 K HA -0.091 4.230 4.320 0.002 0.000 0.200 841 K C 2.048 178.569 176.600 -0.132 0.000 1.046 841 K CA 1.364 57.606 56.287 -0.075 0.000 0.952 841 K CB -0.042 32.446 32.500 -0.021 0.000 0.753 841 K HN 0.365 nan 8.250 nan 0.000 0.466 842 S N 0.034 115.604 115.700 -0.217 0.000 2.535 842 S HA 0.117 4.588 4.470 0.002 0.000 0.214 842 S C 0.615 175.051 174.600 -0.274 0.000 0.980 842 S CA -0.344 57.711 58.200 -0.242 0.000 0.907 842 S CB 0.186 63.206 63.200 -0.301 0.000 0.790 842 S HN -0.033 nan 8.310 nan 0.000 0.510 843 I N 3.138 123.528 120.570 -0.301 0.000 2.281 843 I HA 0.309 4.480 4.170 0.002 0.000 0.293 843 I C 1.421 177.348 176.117 -0.316 0.000 1.085 843 I CA -0.218 60.895 61.300 -0.311 0.000 1.257 843 I CB 0.445 38.261 38.000 -0.308 0.000 1.430 843 I HN 0.425 nan 8.210 nan 0.000 0.489 844 E N 4.463 124.490 120.200 -0.288 0.000 2.118 844 E HA -0.237 4.114 4.350 0.002 0.000 0.195 844 E C 0.963 177.366 176.600 -0.328 0.000 0.992 844 E CA 1.640 57.886 56.400 -0.256 0.000 0.804 844 E CB 0.468 30.048 29.700 -0.200 0.000 0.741 844 E HN 0.585 nan 8.360 nan 0.000 0.458 845 E N -0.128 119.750 120.200 -0.537 0.000 2.409 845 E HA -0.056 4.295 4.350 0.002 0.000 0.198 845 E C 0.921 177.205 176.600 -0.526 0.000 1.024 845 E CA 0.558 56.570 56.400 -0.646 0.000 0.861 845 E CB 0.149 29.044 29.700 -1.342 0.000 0.788 845 E HN 0.325 nan 8.360 nan 0.000 0.521 846 L N 0.444 121.354 121.223 -0.522 0.000 3.066 846 L HA 0.195 4.536 4.340 0.002 0.000 0.265 846 L C 1.165 177.856 176.870 -0.300 0.000 1.232 846 L CA -0.070 54.419 54.840 -0.585 0.000 1.031 846 L CB 0.221 41.708 42.059 -0.952 0.000 1.379 846 L HN 0.026 nan 8.230 nan 0.000 0.563 847 Q N 0.548 120.251 119.800 -0.162 0.000 2.364 847 Q HA -0.082 4.259 4.340 0.002 0.000 0.207 847 Q C 2.094 178.125 176.000 0.051 0.000 0.970 847 Q CA 1.278 57.047 55.803 -0.056 0.000 0.888 847 Q CB 0.036 28.735 28.738 -0.064 0.000 0.951 847 Q HN 0.637 nan 8.270 nan 0.000 0.469 848 G N -0.508 108.366 108.800 0.123 0.000 2.744 848 G HA2 -0.094 3.867 3.960 0.002 0.000 0.211 848 G HA3 -0.094 3.867 3.960 0.002 0.000 0.211 848 G C -0.293 174.794 174.900 0.311 0.000 1.143 848 G CA -0.376 44.840 45.100 0.192 0.000 0.788 848 G HN 0.097 nan 8.290 nan 0.000 0.534 849 W N 0.335 121.645 121.300 0.018 0.000 2.161 849 W HA 0.473 5.133 4.660 0.002 0.000 0.344 849 W C -0.393 176.151 176.519 0.042 0.000 1.262 849 W CA -1.358 56.013 57.345 0.043 0.000 1.270 849 W CB 0.655 30.151 29.460 0.061 0.000 1.126 849 W HN -0.084 nan 8.180 nan 0.000 0.598 850 D N 0.612 121.172 120.400 0.267 0.000 2.473 850 D HA 0.409 5.050 4.640 0.002 0.000 0.226 850 D C 0.837 177.262 176.300 0.208 0.000 1.089 850 D CA 0.730 54.835 54.000 0.174 0.000 0.883 850 D CB 0.086 40.948 40.800 0.104 0.000 1.029 850 D HN 0.548 nan 8.370 nan 0.000 0.517 851 G N 3.966 112.895 108.800 0.214 0.000 2.561 851 G HA2 -0.353 3.608 3.960 0.002 0.000 0.289 851 G HA3 -0.353 3.608 3.960 0.002 0.000 0.289 851 G C 0.721 175.819 174.900 0.330 0.000 1.169 851 G CA 0.349 45.573 45.100 0.206 0.000 0.980 851 G HN 0.542 nan 8.290 nan 0.000 0.550 852 Q N 0.535 120.508 119.800 0.288 0.000 2.365 852 Q HA 0.312 4.653 4.340 0.002 0.000 0.203 852 Q C 0.435 176.730 176.000 0.491 0.000 0.929 852 Q CA 0.487 56.552 55.803 0.437 0.000 0.948 852 Q CB 0.386 29.260 28.738 0.227 0.000 1.043 852 Q HN 0.307 nan 8.270 nan 0.000 0.505 853 S N 2.582 118.475 115.700 0.322 0.000 2.422 853 S HA 0.313 4.784 4.470 0.002 0.000 0.298 853 S C -2.320 172.083 174.600 -0.327 0.000 1.118 853 S CA -1.170 57.104 58.200 0.123 0.000 1.083 853 S CB 1.039 64.335 63.200 0.160 0.000 0.971 853 S HN 0.033 nan 8.310 nan 0.000 0.478 854 P HA 0.153 nan 4.420 nan 0.000 0.272 854 P C 0.337 177.258 177.300 -0.632 0.000 1.230 854 P CA -0.220 61.886 63.100 -1.656 0.000 0.788 854 P CB 0.356 31.219 31.700 -1.395 0.000 0.949 855 G N 0.986 109.533 108.800 -0.421 0.000 2.353 855 G HA2 0.117 4.078 3.960 0.002 0.000 0.239 855 G HA3 0.117 4.078 3.960 0.002 0.000 0.239 855 G C -0.224 174.602 174.900 -0.122 0.000 1.295 855 G CA -0.061 44.959 45.100 -0.134 0.000 0.884 855 G HN 0.359 nan 8.290 nan 0.000 0.537 856 T N 3.111 117.627 114.554 -0.063 0.000 2.817 856 T HA 0.170 4.521 4.350 0.002 0.000 0.295 856 T C 0.382 175.085 174.700 0.004 0.000 0.958 856 T CA 0.374 62.452 62.100 -0.037 0.000 1.157 856 T CB 0.611 69.483 68.868 0.007 0.000 0.898 856 T HN 0.559 nan 8.240 nan 0.000 0.536 857 E N 1.704 121.907 120.200 0.006 0.000 2.222 857 E HA 0.295 4.646 4.350 0.002 0.000 0.272 857 E C -0.017 176.662 176.600 0.132 0.000 0.982 857 E CA -0.660 55.769 56.400 0.048 0.000 0.842 857 E CB 1.257 30.971 29.700 0.023 0.000 1.144 857 E HN 0.497 nan 8.360 nan 0.000 0.397 858 S N 2.590 118.354 115.700 0.107 0.000 2.596 858 S HA -0.040 4.431 4.470 0.002 0.000 0.298 858 S C -0.440 174.253 174.600 0.156 0.000 1.255 858 S CA 0.100 58.363 58.200 0.106 0.000 1.083 858 S CB -0.301 62.928 63.200 0.048 0.000 0.837 858 S HN 0.596 nan 8.310 nan 0.000 0.499 859 H N 2.823 121.898 119.070 0.009 0.000 2.960 859 H HA 0.551 5.108 4.556 0.002 0.000 0.323 859 H C -1.655 173.680 175.328 0.012 0.000 1.326 859 H CA -1.016 55.039 56.048 0.011 0.000 1.124 859 H CB 0.945 30.714 29.762 0.010 0.000 1.853 859 H HN 0.492 nan 8.280 nan 0.000 0.536 860 Q N 0.915 120.660 119.800 -0.091 0.000 2.263 860 Q HA 0.233 4.574 4.340 0.002 0.000 0.266 860 Q C -0.541 175.496 176.000 0.061 0.000 1.002 860 Q CA -0.496 55.240 55.803 -0.112 0.000 0.790 860 Q CB 2.255 30.964 28.738 -0.049 0.000 1.272 860 Q HN 0.853 nan 8.270 nan 0.000 0.435 861 K N 0.943 121.395 120.400 0.086 0.000 3.160 861 K HA -0.291 4.030 4.320 0.002 0.000 0.280 861 K C 0.678 177.383 176.600 0.175 0.000 1.154 861 K CA 0.736 57.091 56.287 0.114 0.000 0.822 861 K CB -1.421 31.111 32.500 0.053 0.000 1.239 861 K HN 1.138 nan 8.250 nan 0.000 0.489 862 G N 0.007 109.043 108.800 0.393 0.000 2.179 862 G HA2 -0.349 3.612 3.960 0.002 0.000 0.260 862 G HA3 -0.349 3.612 3.960 0.002 0.000 0.260 862 G C -0.085 174.881 174.900 0.110 0.000 0.977 862 G CA 0.862 46.044 45.100 0.137 0.000 0.641 862 G HN 0.320 nan 8.290 nan 0.000 0.533 863 K N 1.226 121.724 120.400 0.162 0.000 2.185 863 K HA 0.475 4.796 4.320 0.002 0.000 0.269 863 K C -2.601 174.079 176.600 0.133 0.000 0.987 863 K CA -2.088 54.268 56.287 0.115 0.000 0.865 863 K CB 1.637 34.191 32.500 0.090 0.000 1.090 863 K HN -0.032 nan 8.250 nan 0.000 0.450 864 P HA -0.083 nan 4.420 nan 0.000 0.262 864 P C -0.600 176.745 177.300 0.075 0.000 1.182 864 P CA -0.082 63.073 63.100 0.093 0.000 0.761 864 P CB 0.420 32.159 31.700 0.064 0.000 0.795 865 V N 6.891 126.845 119.914 0.067 0.000 2.555 865 V HA 0.139 4.260 4.120 0.002 0.000 0.286 865 V C -1.741 174.373 176.094 0.033 0.000 1.044 865 V CA -1.302 61.021 62.300 0.038 0.000 1.026 865 V CB 0.227 32.063 31.823 0.021 0.000 0.981 865 V HN 0.571 nan 8.190 nan 0.000 0.480 866 P HA 0.136 nan 4.420 nan 0.000 0.264 866 P C -0.122 177.190 177.300 0.020 0.000 1.193 866 P CA -0.126 62.990 63.100 0.026 0.000 0.763 866 P CB 0.251 31.963 31.700 0.020 0.000 0.810 867 R N 4.068 124.582 120.500 0.023 0.000 4.518 867 R HA 0.249 4.590 4.340 0.002 0.000 0.243 867 R C -0.355 175.954 176.300 0.016 0.000 1.720 867 R CA -0.232 55.879 56.100 0.019 0.000 1.526 867 R CB -0.882 29.432 30.300 0.023 0.000 1.425 867 R HN 0.477 nan 8.270 nan 0.000 0.787 868 I N 1.429 122.005 120.570 0.011 0.000 2.365 868 I HA 0.162 4.333 4.170 0.002 0.000 0.291 868 I C 1.433 177.553 176.117 0.004 0.000 1.004 868 I CA -0.476 60.829 61.300 0.009 0.000 1.311 868 I CB 1.837 39.841 38.000 0.007 0.000 1.401 868 I HN 0.382 nan 8.210 nan 0.000 0.491 869 A N 4.557 127.380 122.820 0.004 0.000 1.986 869 A HA -0.180 4.141 4.320 0.002 0.000 0.220 869 A C 1.773 179.356 177.584 -0.002 0.000 1.171 869 A CA 1.565 53.603 52.037 0.002 0.000 0.640 869 A CB -0.458 18.543 19.000 0.003 0.000 0.811 869 A HN 0.811 nan 8.150 nan 0.000 0.451 870 E N -0.887 119.311 120.200 -0.003 0.000 2.485 870 E HA 0.205 4.556 4.350 0.002 0.000 0.194 870 E C 1.215 177.809 176.600 -0.011 0.000 1.098 870 E CA 0.164 56.559 56.400 -0.007 0.000 0.878 870 E CB 0.036 29.732 29.700 -0.007 0.000 0.939 870 E HN 0.669 nan 8.360 nan 0.000 0.503 871 L N -0.934 120.283 121.223 -0.010 0.000 2.663 871 L HA 0.207 4.548 4.340 0.002 0.000 0.218 871 L C 0.186 177.045 176.870 -0.018 0.000 1.043 871 L CA -0.266 54.564 54.840 -0.016 0.000 0.876 871 L CB 0.129 42.180 42.059 -0.014 0.000 1.263 871 L HN 0.167 nan 8.230 nan 0.000 0.486 872 M N 1.515 121.108 119.600 -0.012 0.000 2.408 872 M HA 0.087 4.568 4.480 0.002 0.000 0.363 872 M C 1.270 177.561 176.300 -0.015 0.000 1.636 872 M CA 1.024 56.317 55.300 -0.012 0.000 1.029 872 M CB -1.273 31.325 32.600 -0.005 0.000 2.068 872 M HN 0.425 nan 8.290 nan 0.000 0.466 873 G N 3.301 112.089 108.800 -0.021 0.000 2.143 873 G HA2 -0.253 3.708 3.960 0.002 0.000 0.248 873 G HA3 -0.253 3.708 3.960 0.002 0.000 0.248 873 G C 0.867 175.751 174.900 -0.028 0.000 0.991 873 G CA -0.028 45.058 45.100 -0.022 0.000 0.689 873 G HN 0.621 nan 8.290 nan 0.000 0.522 874 K N 0.419 120.799 120.400 -0.034 0.000 2.404 874 K HA 0.159 4.480 4.320 0.002 0.000 0.194 874 K C 1.263 177.831 176.600 -0.053 0.000 1.023 874 K CA 0.348 56.614 56.287 -0.034 0.000 1.094 874 K CB 0.064 32.547 32.500 -0.028 0.000 0.841 874 K HN 0.643 nan 8.250 nan 0.000 0.523 875 K N 0.978 121.332 120.400 -0.077 0.000 3.257 875 K HA -0.163 4.158 4.320 0.002 0.000 0.270 875 K C -0.731 175.744 176.600 -0.208 0.000 0.984 875 K CA 0.314 56.522 56.287 -0.132 0.000 0.739 875 K CB -1.707 30.723 32.500 -0.116 0.000 1.351 875 K HN 0.140 nan 8.250 nan 0.000 0.463 876 L N 1.505 122.620 121.223 -0.179 0.000 2.356 876 L HA 0.326 4.667 4.340 0.002 0.000 0.264 876 L C -1.604 175.106 176.870 -0.267 0.000 1.029 876 L CA -1.916 52.808 54.840 -0.193 0.000 0.897 876 L CB 0.651 42.670 42.059 -0.067 0.000 1.256 876 L HN 0.002 nan 8.230 nan 0.000 0.444 877 P HA 0.030 nan 4.420 nan 0.000 0.273 877 P C -0.595 176.495 177.300 -0.349 0.000 1.250 877 P CA -0.424 62.415 63.100 -0.435 0.000 0.793 877 P CB 0.854 32.147 31.700 -0.680 0.000 1.011 878 N N 0.719 119.342 118.700 -0.128 0.000 3.091 878 N HA 0.168 4.909 4.740 0.002 0.000 0.301 878 N C -0.348 175.234 175.510 0.120 0.000 1.325 878 N CA 0.288 53.329 53.050 -0.015 0.000 1.143 878 N CB -0.865 37.644 38.487 0.036 0.000 1.450 878 N HN 0.392 nan 8.380 nan 0.000 0.542 879 F N -3.146 116.824 119.950 0.033 0.000 2.741 879 F HA 0.640 5.168 4.527 0.002 0.000 0.313 879 F C 0.726 176.513 175.800 -0.021 0.000 1.153 879 F CA -0.740 57.274 58.000 0.022 0.000 0.931 879 F CB 0.439 39.476 39.000 0.061 0.000 1.335 879 F HN 0.096 nan 8.300 nan 0.000 0.460 880 G N 1.070 110.012 108.800 0.237 0.000 2.594 880 G HA2 -0.258 3.703 3.960 0.002 0.000 0.297 880 G HA3 -0.258 3.703 3.960 0.002 0.000 0.297 880 G C -1.579 173.182 174.900 -0.233 0.000 1.273 880 G CA 0.179 45.251 45.100 -0.047 0.000 0.974 880 G HN 0.829 nan 8.290 nan 0.000 0.552 881 P HA -0.100 nan 4.420 nan 0.000 0.220 881 P C 1.343 178.366 177.300 -0.462 0.000 1.148 881 P CA 2.214 65.038 63.100 -0.461 0.000 0.803 881 P CB -0.157 31.207 31.700 -0.560 0.000 0.782 882 Y N -0.068 120.029 120.300 -0.338 0.000 2.200 882 Y HA -0.122 4.429 4.550 0.002 0.000 0.290 882 Y C 2.644 178.392 175.900 -0.253 0.000 1.137 882 Y CA 0.382 58.282 58.100 -0.333 0.000 1.163 882 Y CB -1.369 36.779 38.460 -0.518 0.000 0.988 882 Y HN -0.123 nan 8.280 nan 0.000 0.518 883 L N 0.768 121.933 121.223 -0.096 0.000 2.083 883 L HA -0.185 4.156 4.340 0.002 0.000 0.209 883 L C 1.930 178.760 176.870 -0.067 0.000 1.083 883 L CA 1.755 56.555 54.840 -0.067 0.000 0.752 883 L CB -0.621 41.419 42.059 -0.031 0.000 0.899 883 L HN 0.204 nan 8.230 nan 0.000 0.433 884 E N -0.963 119.181 120.200 -0.094 0.000 2.077 884 E HA -0.265 4.086 4.350 0.002 0.000 0.193 884 E C 2.152 178.704 176.600 -0.080 0.000 0.989 884 E CA 1.425 57.772 56.400 -0.088 0.000 0.800 884 E CB -0.182 29.450 29.700 -0.114 0.000 0.746 884 E HN 0.659 nan 8.360 nan 0.000 0.452 885 Q N 0.436 120.182 119.800 -0.091 0.000 2.050 885 Q HA -0.138 4.203 4.340 0.002 0.000 0.202 885 Q C 2.269 178.240 176.000 -0.049 0.000 0.980 885 Q CA 1.085 56.846 55.803 -0.070 0.000 0.840 885 Q CB -0.076 28.622 28.738 -0.067 0.000 0.898 885 Q HN 0.211 nan 8.270 nan 0.000 0.424 886 R N 0.782 121.255 120.500 -0.046 0.000 2.083 886 R HA -0.146 4.195 4.340 0.002 0.000 0.237 886 R C 2.248 178.529 176.300 -0.032 0.000 1.137 886 R CA 1.403 57.482 56.100 -0.036 0.000 0.951 886 R CB -0.199 30.078 30.300 -0.038 0.000 0.851 886 R HN 0.167 nan 8.270 nan 0.000 0.434 887 K N 0.747 121.126 120.400 -0.036 0.000 2.063 887 K HA -0.189 4.132 4.320 0.002 0.000 0.208 887 K C 2.149 178.730 176.600 -0.032 0.000 1.048 887 K CA 1.298 57.566 56.287 -0.032 0.000 0.928 887 K CB -0.117 32.361 32.500 -0.035 0.000 0.713 887 K HN 0.111 nan 8.250 nan 0.000 0.442 888 K N 1.369 121.747 120.400 -0.036 0.000 2.057 888 K HA -0.123 4.198 4.320 0.002 0.000 0.207 888 K C 2.029 178.614 176.600 -0.026 0.000 1.049 888 K CA 1.199 57.466 56.287 -0.033 0.000 0.931 888 K CB -0.038 32.438 32.500 -0.040 0.000 0.714 888 K HN 0.060 nan 8.250 nan 0.000 0.440 889 I N 0.968 121.523 120.570 -0.025 0.000 2.226 889 I HA -0.276 3.895 4.170 0.002 0.000 0.245 889 I C 2.243 178.353 176.117 -0.012 0.000 1.100 889 I CA 1.113 62.402 61.300 -0.018 0.000 1.374 889 I CB -0.186 37.803 38.000 -0.018 0.000 1.057 889 I HN 0.186 nan 8.210 nan 0.000 0.413 890 I N 0.791 121.354 120.570 -0.013 0.000 2.226 890 I HA -0.269 3.902 4.170 0.002 0.000 0.245 890 I C 2.811 178.925 176.117 -0.006 0.000 1.100 890 I CA 1.290 62.587 61.300 -0.006 0.000 1.374 890 I CB -0.470 37.526 38.000 -0.008 0.000 1.057 890 I HN 0.174 nan 8.210 nan 0.000 0.413 891 A N 0.527 123.339 122.820 -0.014 0.000 1.902 891 A HA -0.226 4.095 4.320 0.002 0.000 0.217 891 A C 2.195 179.774 177.584 -0.007 0.000 1.181 891 A CA 1.701 53.728 52.037 -0.016 0.000 0.623 891 A CB -0.565 18.421 19.000 -0.024 0.000 0.818 891 A HN 0.448 nan 8.150 nan 0.000 0.443 892 E N -0.873 119.323 120.200 -0.007 0.000 2.106 892 E HA -0.207 4.144 4.350 0.002 0.000 0.192 892 E C 2.022 178.626 176.600 0.005 0.000 0.984 892 E CA 1.191 57.590 56.400 -0.002 0.000 0.806 892 E CB -0.072 29.625 29.700 -0.006 0.000 0.750 892 E HN 0.705 nan 8.360 nan 0.000 0.458 893 E N 1.325 121.529 120.200 0.007 0.000 2.072 893 E HA -0.178 4.173 4.350 0.002 0.000 0.191 893 E C 1.684 178.299 176.600 0.025 0.000 0.985 893 E CA 1.206 57.614 56.400 0.015 0.000 0.801 893 E CB 0.142 29.851 29.700 0.015 0.000 0.750 893 E HN -0.061 nan 8.360 nan 0.000 0.452 894 K N -0.143 120.272 120.400 0.026 0.000 2.097 894 K HA -0.072 4.249 4.320 0.002 0.000 0.206 894 K C 1.934 178.560 176.600 0.043 0.000 1.049 894 K CA 1.103 57.415 56.287 0.042 0.000 0.933 894 K CB -0.283 32.235 32.500 0.030 0.000 0.717 894 K HN 0.309 nan 8.250 nan 0.000 0.442 895 M N 0.229 119.845 119.600 0.028 0.000 2.254 895 M HA -0.049 4.432 4.480 0.002 0.000 0.265 895 M C 2.016 178.333 176.300 0.027 0.000 1.066 895 M CA 1.200 56.516 55.300 0.027 0.000 1.123 895 M CB -0.694 31.915 32.600 0.016 0.000 1.388 895 M HN 0.098 nan 8.290 nan 0.000 0.425 896 R N 0.176 120.690 120.500 0.023 0.000 2.075 896 R HA -0.031 4.310 4.340 0.002 0.000 0.232 896 R C 2.221 178.536 176.300 0.026 0.000 1.126 896 R CA 1.061 57.173 56.100 0.021 0.000 0.963 896 R CB -0.359 29.951 30.300 0.017 0.000 0.858 896 R HN 0.346 nan 8.270 nan 0.000 0.435 897 L N 0.657 121.901 121.223 0.035 0.000 2.131 897 L HA -0.183 4.158 4.340 0.002 0.000 0.210 897 L C 2.597 179.493 176.870 0.043 0.000 1.092 897 L CA 1.289 56.153 54.840 0.040 0.000 0.759 897 L CB -0.392 41.699 42.059 0.054 0.000 0.903 897 L HN 0.176 nan 8.230 nan 0.000 0.435 898 K N 0.535 120.965 120.400 0.050 0.000 2.148 898 K HA -0.203 4.118 4.320 0.002 0.000 0.204 898 K C 1.839 178.460 176.600 0.036 0.000 1.050 898 K CA 1.283 57.601 56.287 0.052 0.000 0.942 898 K CB 0.139 32.674 32.500 0.060 0.000 0.724 898 K HN 0.250 nan 8.250 nan 0.000 0.446 899 E N 0.284 120.501 120.200 0.029 0.000 2.463 899 E HA -0.016 4.335 4.350 0.002 0.000 0.193 899 E C -0.039 176.570 176.600 0.015 0.000 1.041 899 E CA -0.237 56.175 56.400 0.020 0.000 0.879 899 E CB 0.519 30.229 29.700 0.018 0.000 0.997 899 E HN 0.273 nan 8.360 nan 0.000 0.478 900 Q N -0.121 119.688 119.800 0.016 0.000 2.333 900 Q HA 0.284 4.625 4.340 0.002 0.000 0.266 900 Q C -0.717 175.286 176.000 0.004 0.000 1.053 900 Q CA -0.734 55.075 55.803 0.010 0.000 0.890 900 Q CB 1.339 30.085 28.738 0.014 0.000 1.337 900 Q HN 0.116 nan 8.270 nan 0.000 0.474 901 N N -0.635 118.063 118.700 -0.003 0.000 2.445 901 N HA 0.535 5.276 4.740 0.002 0.000 0.264 901 N C -0.988 174.515 175.510 -0.012 0.000 1.227 901 N CA -0.279 52.761 53.050 -0.017 0.000 0.963 901 N CB 1.209 39.681 38.487 -0.024 0.000 1.188 901 N HN 0.580 nan 8.380 nan 0.000 0.491 908 E N 1.586 121.801 120.200 0.023 0.000 2.467 908 E HA 0.006 4.357 4.350 0.002 0.000 0.264 908 E C -0.240 176.358 176.600 -0.002 0.000 1.020 908 E CA 0.057 56.467 56.400 0.016 0.000 0.945 908 E CB 0.683 30.393 29.700 0.016 0.000 0.942 908 E HN 0.253 nan 8.360 nan 0.000 0.449 909 R N 2.850 123.344 120.500 -0.011 0.000 2.210 909 R HA 0.092 4.433 4.340 0.002 0.000 0.338 909 R C -0.577 175.688 176.300 -0.058 0.000 1.062 909 R CA -0.027 56.048 56.100 -0.041 0.000 0.902 909 R CB 0.363 30.645 30.300 -0.028 0.000 1.050 909 R HN 0.322 nan 8.270 nan 0.000 0.461 910 K N 5.683 126.030 120.400 -0.089 0.000 2.345 910 K HA 0.438 4.759 4.320 0.002 0.000 0.255 910 K C -2.476 174.021 176.600 -0.173 0.000 0.934 910 K CA -2.142 54.096 56.287 -0.082 0.000 0.801 910 K CB 1.827 34.310 32.500 -0.028 0.000 1.137 910 K HN 0.341 nan 8.250 nan 0.000 0.424 911 P HA 0.096 nan 4.420 nan 0.000 0.275 911 P C -0.910 176.353 177.300 -0.062 0.000 1.227 911 P CA -0.032 62.964 63.100 -0.173 0.000 0.781 911 P CB 0.366 32.025 31.700 -0.069 0.000 0.906 912 F N 1.644 121.576 119.950 -0.030 0.000 2.429 912 F HA 0.297 4.825 4.527 0.002 0.000 0.348 912 F C 0.961 176.743 175.800 -0.030 0.000 1.109 912 F CA -0.531 57.441 58.000 -0.047 0.000 1.232 912 F CB 0.487 39.437 39.000 -0.082 0.000 1.157 912 F HN 0.013 nan 8.300 nan 0.000 0.564 913 I N 4.000 124.663 120.570 0.155 0.000 2.433 913 I HA 0.284 4.455 4.170 0.002 0.000 0.292 913 I C -2.367 173.728 176.117 -0.037 0.000 1.001 913 I CA -2.446 58.887 61.300 0.054 0.000 1.119 913 I CB 1.823 39.845 38.000 0.036 0.000 1.289 913 I HN 0.253 nan 8.210 nan 0.000 0.438 914 P HA 0.015 nan 4.420 nan 0.000 0.262 914 P C -0.468 176.761 177.300 -0.118 0.000 1.182 914 P CA 0.194 63.182 63.100 -0.186 0.000 0.761 914 P CB 0.344 31.913 31.700 -0.219 0.000 0.795 915 K N 2.523 122.846 120.400 -0.128 0.000 2.514 915 K HA 0.167 4.488 4.320 0.002 0.000 0.207 915 K C 0.352 176.900 176.600 -0.087 0.000 1.035 915 K CA -0.133 56.097 56.287 -0.094 0.000 1.113 915 K CB 0.446 32.889 32.500 -0.096 0.000 0.846 915 K HN 0.367 nan 8.250 nan 0.000 0.491 916 K N 1.079 121.421 120.400 -0.098 0.000 2.587 916 K HA 0.288 4.609 4.320 0.002 0.000 0.276 916 K C -3.216 173.335 176.600 -0.083 0.000 0.956 916 K CA -1.527 54.711 56.287 -0.081 0.000 0.857 916 K CB 1.748 34.198 32.500 -0.084 0.000 1.431 916 K HN -0.290 nan 8.250 nan 0.000 0.420 917 P HA 0.103 nan 4.420 nan 0.000 0.266 917 P C -0.578 176.687 177.300 -0.058 0.000 1.195 917 P CA -0.021 63.049 63.100 -0.050 0.000 0.768 917 P CB 0.345 32.026 31.700 -0.032 0.000 0.838 918 I N 5.296 125.834 120.570 -0.053 0.000 2.517 918 I HA 0.099 4.270 4.170 0.002 0.000 0.285 918 I C -1.444 174.662 176.117 -0.017 0.000 1.106 918 I CA -1.775 59.497 61.300 -0.048 0.000 1.402 918 I CB 0.240 38.230 38.000 -0.017 0.000 1.399 918 I HN 0.243 nan 8.210 nan 0.000 0.535 919 P HA 0.119 nan 4.420 nan 0.000 0.268 919 P C -0.586 176.719 177.300 0.008 0.000 1.205 919 P CA -0.272 62.828 63.100 0.001 0.000 0.771 919 P CB 0.940 32.646 31.700 0.010 0.000 0.858 920 A N 3.102 125.925 122.820 0.006 0.000 2.252 920 A HA 0.335 4.656 4.320 0.002 0.000 0.305 920 A C 1.722 179.304 177.584 -0.003 0.000 1.097 920 A CA -0.704 51.336 52.037 0.006 0.000 0.849 920 A CB 0.074 19.077 19.000 0.005 0.000 1.142 920 A HN 0.457 nan 8.150 nan 0.000 0.499 921 I N 0.478 121.040 120.570 -0.013 0.000 2.208 921 I HA -0.281 3.890 4.170 0.002 0.000 0.245 921 I C 2.451 178.548 176.117 -0.033 0.000 1.097 921 I CA 2.334 63.611 61.300 -0.038 0.000 1.363 921 I CB -1.177 36.787 38.000 -0.061 0.000 1.051 921 I HN 0.951 nan 8.210 nan 0.000 0.413 922 K N 0.541 120.928 120.400 -0.022 0.000 2.211 922 K HA -0.188 4.133 4.320 0.002 0.000 0.204 922 K C 1.116 177.714 176.600 -0.004 0.000 1.047 922 K CA 1.649 57.925 56.287 -0.017 0.000 0.935 922 K CB -0.317 32.177 32.500 -0.010 0.000 0.728 922 K HN 0.291 nan 8.250 nan 0.000 0.452 923 D N 1.220 121.622 120.400 0.002 0.000 2.323 923 D HA -0.066 4.575 4.640 0.002 0.000 0.209 923 D C 1.883 178.206 176.300 0.038 0.000 0.973 923 D CA 1.192 55.200 54.000 0.014 0.000 0.874 923 D CB 0.585 41.392 40.800 0.011 0.000 0.930 923 D HN 0.349 nan 8.370 nan 0.000 0.521 924 V N -1.754 118.187 119.914 0.045 0.000 3.621 924 V HA 0.225 4.346 4.120 0.002 0.000 0.263 924 V C 1.021 177.202 176.094 0.145 0.000 1.272 924 V CA -0.269 62.102 62.300 0.120 0.000 1.080 924 V CB -0.160 31.697 31.823 0.056 0.000 0.816 924 V HN -0.108 nan 8.190 nan 0.000 0.451 925 I N 3.232 123.830 120.570 0.048 0.000 2.741 925 I HA 0.359 4.530 4.170 0.002 0.000 0.288 925 I C 1.635 177.785 176.117 0.055 0.000 1.192 925 I CA 1.565 62.886 61.300 0.034 0.000 1.426 925 I CB 0.025 38.016 38.000 -0.015 0.000 1.367 925 I HN 0.532 nan 8.210 nan 0.000 0.563 926 G N 5.096 113.939 108.800 0.072 0.000 2.184 926 G HA2 -0.288 3.673 3.960 0.002 0.000 0.264 926 G HA3 -0.288 3.673 3.960 0.002 0.000 0.264 926 G C 1.169 176.091 174.900 0.037 0.000 0.975 926 G CA -0.044 45.085 45.100 0.049 0.000 0.642 926 G HN 0.599 nan 8.290 nan 0.000 0.536 927 K N 0.275 120.718 120.400 0.071 0.000 2.280 927 K HA 0.158 4.478 4.320 0.002 0.000 0.202 927 K C 2.610 179.186 176.600 -0.040 0.000 1.047 927 K CA 1.439 57.724 56.287 -0.003 0.000 0.942 927 K CB -0.466 32.037 32.500 0.005 0.000 0.739 927 K HN 0.802 nan 8.250 nan 0.000 0.457 928 A N 0.735 123.561 122.820 0.009 0.000 2.123 928 A HA 0.052 4.373 4.320 0.002 0.000 0.214 928 A C 2.088 179.726 177.584 0.089 0.000 1.152 928 A CA 0.247 52.353 52.037 0.115 0.000 0.728 928 A CB -0.328 18.717 19.000 0.075 0.000 0.814 928 A HN 0.150 nan 8.150 nan 0.000 0.464 929 L N 0.232 121.455 121.223 -0.001 0.000 2.127 929 L HA -0.296 4.045 4.340 0.002 0.000 0.211 929 L C 2.869 179.682 176.870 -0.095 0.000 1.089 929 L CA 1.722 56.546 54.840 -0.026 0.000 0.757 929 L CB -0.771 41.272 42.059 -0.026 0.000 0.899 929 L HN 0.714 nan 8.230 nan 0.000 0.434 930 Q N -0.336 119.323 119.800 -0.234 0.000 2.297 930 Q HA -0.225 4.116 4.340 0.002 0.000 0.208 930 Q C 1.587 177.348 176.000 -0.398 0.000 0.981 930 Q CA 1.805 57.387 55.803 -0.368 0.000 0.876 930 Q CB -0.488 27.920 28.738 -0.550 0.000 0.921 930 Q HN 0.552 nan 8.270 nan 0.000 0.446 931 Y N 0.092 120.361 120.300 -0.052 0.000 2.500 931 Y HA 0.217 4.768 4.550 0.002 0.000 0.270 931 Y C 0.290 176.162 175.900 -0.047 0.000 1.134 931 Y CA -0.651 57.416 58.100 -0.053 0.000 1.293 931 Y CB 0.587 39.010 38.460 -0.062 0.000 1.063 931 Y HN 0.024 nan 8.280 nan 0.000 0.534 932 L N -0.124 121.142 121.223 0.072 0.000 2.312 932 L HA 0.643 4.984 4.340 0.002 0.000 0.281 932 L C 0.610 177.487 176.870 0.011 0.000 1.070 932 L CA 0.213 55.077 54.840 0.040 0.000 0.805 932 L CB 1.253 43.332 42.059 0.032 0.000 1.174 932 L HN 0.166 nan 8.230 nan 0.000 0.434 933 G N 0.072 108.881 108.800 0.013 0.000 2.570 933 G HA2 0.497 4.458 3.960 0.002 0.000 0.310 933 G HA3 0.497 4.458 3.960 0.002 0.000 0.310 933 G C -0.800 174.114 174.900 0.023 0.000 1.266 933 G CA 0.085 45.189 45.100 0.007 0.000 0.825 933 G HN 0.602 nan 8.290 nan 0.000 0.483 934 T N -1.951 112.619 114.554 0.027 0.000 2.788 934 T HA 0.403 4.754 4.350 0.002 0.000 0.280 934 T C 1.118 175.865 174.700 0.078 0.000 0.984 934 T CA 0.092 62.230 62.100 0.065 0.000 0.972 934 T CB 1.101 70.007 68.868 0.064 0.000 1.039 934 T HN 0.553 nan 8.240 nan 0.000 0.530 935 F N 1.153 121.104 119.950 0.003 0.000 2.186 935 F HA 0.151 4.679 4.527 0.002 0.000 0.299 935 F C 2.390 178.192 175.800 0.004 0.000 1.090 935 F CA 1.812 59.814 58.000 0.004 0.000 1.307 935 F CB -0.848 38.154 39.000 0.004 0.000 1.019 935 F HN 0.746 nan 8.300 nan 0.000 0.489 936 G N -0.445 108.431 108.800 0.127 0.000 2.470 936 G HA2 -0.219 3.742 3.960 0.002 0.000 0.220 936 G HA3 -0.219 3.742 3.960 0.002 0.000 0.220 936 G C 1.346 176.216 174.900 -0.049 0.000 1.121 936 G CA 0.697 45.827 45.100 0.050 0.000 0.766 936 G HN 0.485 nan 8.290 nan 0.000 0.553 937 E N -0.437 119.723 120.200 -0.067 0.000 2.502 937 E HA 0.166 4.517 4.350 0.002 0.000 0.194 937 E C 0.282 176.809 176.600 -0.122 0.000 1.062 937 E CA -0.279 56.078 56.400 -0.072 0.000 0.867 937 E CB 0.159 29.833 29.700 -0.043 0.000 0.888 937 E HN 0.357 nan 8.360 nan 0.000 0.510 938 L N 1.041 122.126 121.223 -0.231 0.000 2.312 938 L HA 0.207 4.548 4.340 0.002 0.000 0.281 938 L C 0.412 177.136 176.870 -0.243 0.000 1.070 938 L CA -0.620 54.051 54.840 -0.282 0.000 0.805 938 L CB 1.513 43.273 42.059 -0.498 0.000 1.174 938 L HN -0.099 nan 8.230 nan 0.000 0.434 939 S N 1.549 117.152 115.700 -0.162 0.000 2.499 939 S HA 0.103 4.574 4.470 0.002 0.000 0.275 939 S C 0.704 175.237 174.600 -0.112 0.000 1.257 939 S CA -0.741 57.392 58.200 -0.112 0.000 1.050 939 S CB 0.261 63.416 63.200 -0.075 0.000 0.937 939 S HN 0.737 nan 8.310 nan 0.000 0.490 940 N N 5.111 123.769 118.700 -0.069 0.000 2.230 940 N HA 0.073 4.814 4.740 0.002 0.000 0.202 940 N C 0.969 176.484 175.510 0.008 0.000 1.119 940 N CA 0.003 53.038 53.050 -0.026 0.000 0.851 940 N CB -0.041 38.468 38.487 0.036 0.000 0.990 940 N HN 0.617 nan 8.380 nan 0.000 0.497 941 I N -2.263 118.302 120.570 -0.009 0.000 3.526 941 I HA 0.192 4.363 4.170 0.002 0.000 0.294 941 I C -0.091 176.011 176.117 -0.026 0.000 1.229 941 I CA 0.240 61.547 61.300 0.012 0.000 1.408 941 I CB -0.835 37.174 38.000 0.014 0.000 1.127 941 I HN 0.030 nan 8.210 nan 0.000 0.439 942 E N 3.773 123.941 120.200 -0.053 0.000 1.979 942 E HA 0.160 4.510 4.350 0.002 0.000 0.285 942 E C -0.150 176.384 176.600 -0.109 0.000 1.188 942 E CA -0.220 56.140 56.400 -0.067 0.000 1.214 942 E CB 0.306 29.971 29.700 -0.060 0.000 1.210 942 E HN 0.352 nan 8.360 nan 0.000 0.477 943 Q N 0.765 120.471 119.800 -0.156 0.000 2.256 943 Q HA 0.402 4.743 4.340 0.002 0.000 0.232 943 Q C 0.267 176.151 176.000 -0.194 0.000 0.965 943 Q CA -0.450 55.200 55.803 -0.256 0.000 0.908 943 Q CB 1.949 30.368 28.738 -0.532 0.000 1.209 943 Q HN 0.303 nan 8.270 nan 0.000 0.489 944 V N -2.338 117.457 119.914 -0.197 0.000 3.141 944 V HA 0.903 5.024 4.120 0.002 0.000 0.312 944 V C -0.265 175.751 176.094 -0.131 0.000 1.157 944 V CA -0.985 61.237 62.300 -0.131 0.000 1.041 944 V CB 1.815 33.582 31.823 -0.093 0.000 1.071 944 V HN 0.587 nan 8.190 nan 0.000 0.441 945 V N -1.696 118.169 119.914 -0.081 0.000 3.078 945 V HA 1.027 5.148 4.120 0.002 0.000 0.311 945 V C 0.165 176.240 176.094 -0.031 0.000 1.138 945 V CA -0.504 61.762 62.300 -0.058 0.000 1.007 945 V CB 1.258 33.058 31.823 -0.039 0.000 1.045 945 V HN 1.928 nan 8.190 nan 0.000 0.432 946 A N 1.974 124.786 122.820 -0.014 0.000 2.327 946 A HA 0.845 5.166 4.320 0.002 0.000 0.283 946 A C -0.028 177.561 177.584 0.010 0.000 1.127 946 A CA -0.008 52.030 52.037 0.001 0.000 0.810 946 A CB 0.924 19.932 19.000 0.013 0.000 1.066 946 A HN 2.240 nan 8.150 nan 0.000 0.492 947 V N 0.749 120.669 119.914 0.011 0.000 2.577 947 V HA 0.695 4.816 4.120 0.002 0.000 0.303 947 V C -0.605 175.500 176.094 0.019 0.000 1.042 947 V CA -0.605 61.704 62.300 0.014 0.000 0.872 947 V CB 1.050 32.878 31.823 0.008 0.000 0.998 947 V HN 0.669 nan 8.190 nan 0.000 0.423 948 I N 3.444 124.029 120.570 0.024 0.000 2.359 948 I HA 0.417 4.588 4.170 0.002 0.000 0.294 948 I C -0.409 175.719 176.117 0.019 0.000 0.987 948 I CA -0.212 61.104 61.300 0.026 0.000 1.225 948 I CB 1.730 39.754 38.000 0.039 0.000 1.366 948 I HN 0.699 nan 8.210 nan 0.000 0.466 949 D N 6.131 126.540 120.400 0.015 0.000 2.411 949 D HA 0.073 4.714 4.640 0.002 0.000 0.225 949 D C 0.949 177.249 176.300 0.001 0.000 1.156 949 D CA 0.018 54.023 54.000 0.008 0.000 0.874 949 D CB 0.774 41.579 40.800 0.009 0.000 1.034 949 D HN 0.490 nan 8.370 nan 0.000 0.502 950 E N 1.997 122.196 120.200 -0.002 0.000 2.267 950 E HA -0.173 4.178 4.350 0.002 0.000 0.197 950 E C 0.994 177.579 176.600 -0.025 0.000 0.998 950 E CA 0.732 57.126 56.400 -0.011 0.000 0.830 950 E CB 0.390 30.077 29.700 -0.022 0.000 0.751 950 E HN 0.509 nan 8.360 nan 0.000 0.491 951 E N -0.229 119.955 120.200 -0.027 0.000 2.274 951 E HA -0.078 4.273 4.350 0.002 0.000 0.194 951 E C 1.668 178.230 176.600 -0.063 0.000 0.996 951 E CA 0.823 57.201 56.400 -0.038 0.000 0.840 951 E CB 0.071 29.757 29.700 -0.024 0.000 0.772 951 E HN 0.410 nan 8.360 nan 0.000 0.491 952 M N -0.694 118.865 119.600 -0.067 0.000 2.414 952 M HA 0.069 4.550 4.480 0.002 0.000 0.251 952 M C 1.057 177.299 176.300 -0.097 0.000 1.116 952 M CA -0.203 55.017 55.300 -0.133 0.000 1.056 952 M CB 0.666 33.206 32.600 -0.101 0.000 1.388 952 M HN -0.091 nan 8.290 nan 0.000 0.487 953 C N 2.780 122.060 119.300 -0.034 0.000 2.642 953 C HA 0.141 4.602 4.460 0.002 0.000 0.420 953 C C 1.641 176.650 174.990 0.031 0.000 1.349 953 C CA -0.351 58.674 59.018 0.011 0.000 1.821 953 C CB -0.434 27.332 27.740 0.044 0.000 2.637 953 C HN 0.641 nan 8.230 nan 0.000 0.605 954 I N 1.473 122.074 120.570 0.052 0.000 3.877 954 I HA 0.362 4.532 4.170 0.002 0.000 0.332 954 I C 0.439 176.636 176.117 0.134 0.000 1.525 954 I CA -0.284 61.063 61.300 0.078 0.000 1.146 954 I CB -0.904 37.121 38.000 0.042 0.000 1.137 954 I HN 0.830 nan 8.210 nan 0.000 0.424 955 N N 0.288 119.096 118.700 0.180 0.000 2.708 955 N HA -0.253 4.488 4.740 0.002 0.000 0.249 955 N C 1.150 176.807 175.510 0.246 0.000 1.097 955 N CA 1.091 54.311 53.050 0.285 0.000 0.710 955 N CB -2.266 36.450 38.487 0.382 0.000 1.032 955 N HN 0.870 nan 8.380 nan 0.000 0.551 956 C N -2.803 116.563 119.300 0.109 0.000 2.468 956 C HA 0.490 4.951 4.460 0.002 0.000 0.277 956 C C 2.190 177.086 174.990 -0.157 0.000 1.400 956 C CA 0.411 59.426 59.018 -0.005 0.000 1.770 956 C CB -0.947 26.779 27.740 -0.022 0.000 1.905 956 C HN 1.012 nan 8.230 nan 0.000 0.519 957 G N 0.899 109.534 108.800 -0.275 0.000 2.148 957 G HA2 -0.301 3.659 3.960 0.002 0.000 0.254 957 G HA3 -0.301 3.659 3.960 0.002 0.000 0.254 957 G C 0.843 175.534 174.900 -0.348 0.000 0.981 957 G CA 0.745 45.377 45.100 -0.780 0.000 0.670 957 G HN 0.651 nan 8.290 nan 0.000 0.528 958 K N -0.369 119.925 120.400 -0.176 0.000 2.097 958 K HA -0.072 4.249 4.320 0.002 0.000 0.205 958 K C 2.945 179.497 176.600 -0.080 0.000 1.050 958 K CA 1.732 57.953 56.287 -0.111 0.000 0.938 958 K CB -0.456 32.002 32.500 -0.070 0.000 0.718 958 K HN 0.830 nan 8.250 nan 0.000 0.442 959 C N -0.383 118.886 119.300 -0.052 0.000 2.429 959 C HA -0.134 4.326 4.460 0.002 0.000 0.277 959 C C 2.504 177.500 174.990 0.010 0.000 1.262 959 C CA 0.256 59.269 59.018 -0.007 0.000 1.733 959 C CB -1.388 26.368 27.740 0.026 0.000 2.010 959 C HN 0.446 nan 8.230 nan 0.000 0.483 960 Y N 1.906 122.096 120.300 -0.182 0.000 2.114 960 Y HA -0.166 4.385 4.550 0.002 0.000 0.284 960 Y C 2.702 178.506 175.900 -0.159 0.000 1.143 960 Y CA 2.207 60.194 58.100 -0.187 0.000 1.135 960 Y CB -0.383 37.836 38.460 -0.402 0.000 0.980 960 Y HN 0.191 nan 8.280 nan 0.000 0.499 961 M N -0.936 118.528 119.600 -0.226 0.000 2.159 961 M HA -0.223 4.258 4.480 0.002 0.000 0.263 961 M C 2.356 178.536 176.300 -0.199 0.000 1.063 961 M CA 2.062 57.197 55.300 -0.274 0.000 1.110 961 M CB -0.539 31.955 32.600 -0.177 0.000 1.374 961 M HN 0.296 nan 8.290 nan 0.000 0.411 962 T N -0.703 113.774 114.554 -0.128 0.000 2.777 962 T HA -0.175 4.176 4.350 0.002 0.000 0.266 962 T C 1.853 176.502 174.700 -0.086 0.000 1.040 962 T CA 1.422 63.469 62.100 -0.089 0.000 1.141 962 T CB -0.270 68.568 68.868 -0.050 0.000 0.868 962 T HN 0.548 nan 8.240 nan 0.000 0.444 963 C N 1.634 120.889 119.300 -0.075 0.000 2.435 963 C HA 0.025 4.486 4.460 0.002 0.000 0.279 963 C C 2.601 177.525 174.990 -0.109 0.000 1.321 963 C CA 0.766 59.760 59.018 -0.040 0.000 1.752 963 C CB -1.551 26.202 27.740 0.022 0.000 1.959 963 C HN 0.559 nan 8.230 nan 0.000 0.500 964 N N 1.297 119.871 118.700 -0.210 0.000 2.109 964 N HA -0.055 4.686 4.740 0.002 0.000 0.188 964 N C 0.991 176.389 175.510 -0.187 0.000 1.034 964 N CA 1.587 54.488 53.050 -0.248 0.000 0.846 964 N CB -0.466 37.765 38.487 -0.426 0.000 1.010 964 N HN 0.544 nan 8.380 nan 0.000 0.425 965 D N -1.180 119.116 120.400 -0.174 0.000 2.369 965 D HA 0.193 4.834 4.640 0.002 0.000 0.211 965 D C 0.168 176.394 176.300 -0.124 0.000 1.077 965 D CA 0.318 54.235 54.000 -0.138 0.000 0.842 965 D CB 0.399 41.125 40.800 -0.123 0.000 0.947 965 D HN 0.005 nan 8.370 nan 0.000 0.509 966 S N -0.898 114.726 115.700 -0.126 0.000 2.993 966 S HA 0.429 4.900 4.470 0.002 0.000 0.257 966 S C 0.672 175.193 174.600 -0.132 0.000 0.997 966 S CA -0.252 57.881 58.200 -0.111 0.000 1.191 966 S CB 1.831 64.988 63.200 -0.073 0.000 1.143 966 S HN 0.304 nan 8.310 nan 0.000 0.655 967 G N 0.446 109.137 108.800 -0.181 0.000 3.354 967 G HA2 0.484 4.445 3.960 0.002 0.000 0.174 967 G HA3 0.484 4.445 3.960 0.002 0.000 0.174 967 G C -0.923 173.656 174.900 -0.535 0.000 1.140 967 G CA -0.303 44.666 45.100 -0.219 0.000 0.897 967 G HN 0.251 nan 8.290 nan 0.000 0.685 968 Y N 0.470 120.766 120.300 -0.007 0.000 2.682 968 Y HA 0.339 4.890 4.550 0.002 0.000 0.251 968 Y C 0.563 176.466 175.900 0.005 0.000 1.172 968 Y CA -0.573 57.530 58.100 0.005 0.000 1.186 968 Y CB 0.663 39.139 38.460 0.027 0.000 1.216 968 Y HN 0.299 nan 8.280 nan 0.000 0.540 969 Q N -0.096 119.733 119.800 0.049 0.000 2.435 969 Q HA -0.246 4.095 4.340 0.002 0.000 0.312 969 Q C 0.987 177.047 176.000 0.099 0.000 1.333 969 Q CA 0.884 56.707 55.803 0.032 0.000 0.883 969 Q CB -1.670 27.074 28.738 0.010 0.000 1.170 969 Q HN 0.579 nan 8.270 nan 0.000 0.443 970 A N -0.806 122.091 122.820 0.129 0.000 2.348 970 A HA 0.389 4.710 4.320 0.002 0.000 0.224 970 A C 0.492 178.158 177.584 0.137 0.000 1.227 970 A CA -0.045 52.071 52.037 0.131 0.000 0.885 970 A CB 0.554 19.632 19.000 0.130 0.000 0.933 970 A HN 0.412 nan 8.150 nan 0.000 0.506 971 I N 0.745 121.421 120.570 0.177 0.000 2.377 971 I HA 0.205 4.376 4.170 0.002 0.000 0.293 971 I C -0.433 175.868 176.117 0.306 0.000 0.987 971 I CA -0.433 61.002 61.300 0.225 0.000 1.185 971 I CB 1.796 39.948 38.000 0.253 0.000 1.341 971 I HN 0.225 nan 8.210 nan 0.000 0.455 972 Q N 5.048 124.970 119.800 0.203 0.000 2.257 972 Q HA 0.379 4.720 4.340 0.002 0.000 0.255 972 Q C -1.248 174.813 176.000 0.102 0.000 0.920 972 Q CA -0.463 55.435 55.803 0.158 0.000 0.927 972 Q CB 2.187 30.983 28.738 0.097 0.000 1.229 972 Q HN 0.411 nan 8.270 nan 0.000 0.433 973 F N 2.566 122.330 119.950 -0.310 0.000 2.382 973 F HA 0.203 4.731 4.527 0.002 0.000 0.361 973 F C -0.370 175.308 175.800 -0.203 0.000 1.109 973 F CA -1.557 56.174 58.000 -0.449 0.000 1.031 973 F CB 0.915 39.183 39.000 -1.221 0.000 1.234 973 F HN 0.486 nan 8.300 nan 0.000 0.445 974 D N 8.079 128.268 120.400 -0.352 0.000 2.450 974 D HA 0.099 4.740 4.640 0.002 0.000 0.247 974 D C -1.450 174.726 176.300 -0.207 0.000 1.162 974 D CA -0.976 52.889 54.000 -0.225 0.000 0.879 974 D CB 1.238 41.937 40.800 -0.167 0.000 1.163 974 D HN 0.298 nan 8.370 nan 0.000 0.472 975 P HA -0.116 nan 4.420 nan 0.000 0.226 975 P C 0.330 177.723 177.300 0.156 0.000 1.153 975 P CA 0.917 64.070 63.100 0.088 0.000 0.777 975 P CB 0.509 32.259 31.700 0.085 0.000 0.794 976 E N -0.483 119.770 120.200 0.088 0.000 2.206 976 E HA -0.001 4.350 4.350 0.002 0.000 0.195 976 E C 1.950 178.685 176.600 0.225 0.000 0.935 976 E CA 1.575 58.072 56.400 0.161 0.000 0.875 976 E CB -0.896 28.883 29.700 0.132 0.000 0.841 976 E HN 0.347 nan 8.360 nan 0.000 0.477 977 T N -2.912 111.623 114.554 -0.031 0.000 3.044 977 T HA 0.054 4.405 4.350 0.002 0.000 0.250 977 T C 0.444 175.197 174.700 0.087 0.000 1.081 977 T CA 0.128 62.080 62.100 -0.247 0.000 1.040 977 T CB -0.374 68.195 68.868 -0.498 0.000 0.962 977 T HN 0.284 nan 8.240 nan 0.000 0.506 978 H N 0.484 119.465 119.070 -0.148 0.000 2.741 978 H HA -0.097 4.460 4.556 0.002 0.000 0.305 978 H C -0.796 174.303 175.328 -0.382 0.000 1.169 978 H CA -0.136 55.575 56.048 -0.562 0.000 1.144 978 H CB -1.722 28.012 29.762 -0.046 0.000 1.397 978 H HN 0.430 nan 8.280 nan 0.000 0.409 979 L N 2.032 123.125 121.223 -0.216 0.000 2.307 979 L HA 0.431 4.771 4.340 0.002 0.000 0.284 979 L C -1.949 174.927 176.870 0.011 0.000 1.023 979 L CA -1.760 53.054 54.840 -0.043 0.000 0.810 979 L CB 1.501 43.513 42.059 -0.079 0.000 1.231 979 L HN -0.036 nan 8.230 nan 0.000 0.423 980 P HA 0.293 nan 4.420 nan 0.000 0.286 980 P C -1.079 176.287 177.300 0.109 0.000 1.261 980 P CA -0.436 62.793 63.100 0.216 0.000 0.821 980 P CB 1.924 33.777 31.700 0.254 0.000 1.013 981 T N 1.279 115.895 114.554 0.103 0.000 2.937 981 T HA 0.239 4.590 4.350 0.002 0.000 0.297 981 T C -0.245 174.506 174.700 0.086 0.000 0.991 981 T CA -0.384 61.759 62.100 0.072 0.000 0.990 981 T CB 0.942 69.839 68.868 0.049 0.000 0.991 981 T HN 0.071 nan 8.240 nan 0.000 0.440 982 V N 4.864 124.821 119.914 0.071 0.000 2.508 982 V HA 0.354 4.475 4.120 0.002 0.000 0.281 982 V C 1.263 177.394 176.094 0.061 0.000 1.041 982 V CA -0.328 62.014 62.300 0.071 0.000 1.016 982 V CB 0.749 32.604 31.823 0.053 0.000 0.984 982 V HN 1.080 nan 8.190 nan 0.000 0.478 983 T N 0.370 114.966 114.554 0.070 0.000 2.849 983 T HA 0.224 4.575 4.350 0.002 0.000 0.276 983 T C 0.800 175.532 174.700 0.053 0.000 0.971 983 T CA -0.311 61.826 62.100 0.061 0.000 0.949 983 T CB 0.968 69.879 68.868 0.070 0.000 1.093 983 T HN 0.566 nan 8.240 nan 0.000 0.545 984 D N -0.214 120.215 120.400 0.048 0.000 2.378 984 D HA -0.030 4.611 4.640 0.002 0.000 0.222 984 D C 1.887 178.219 176.300 0.053 0.000 0.980 984 D CA 1.200 55.228 54.000 0.046 0.000 0.907 984 D CB -0.276 40.548 40.800 0.041 0.000 0.899 984 D HN 0.756 nan 8.370 nan 0.000 0.527 985 T N -2.542 112.048 114.554 0.060 0.000 3.148 985 T HA 0.006 4.357 4.350 0.002 0.000 0.253 985 T C 1.217 175.947 174.700 0.050 0.000 1.134 985 T CA -0.422 61.718 62.100 0.066 0.000 1.051 985 T CB -1.015 67.905 68.868 0.086 0.000 0.959 985 T HN 0.186 nan 8.240 nan 0.000 0.525 986 C N 3.926 123.249 119.300 0.038 0.000 2.634 986 C HA 0.365 4.826 4.460 0.002 0.000 0.417 986 C C 2.121 177.069 174.990 -0.071 0.000 1.334 986 C CA 0.622 59.639 59.018 -0.001 0.000 1.829 986 C CB -0.024 27.721 27.740 0.008 0.000 2.665 986 C HN 0.713 nan 8.230 nan 0.000 0.614 987 T N 1.027 115.462 114.554 -0.198 0.000 3.044 987 T HA 0.322 4.673 4.350 0.002 0.000 0.260 987 T C 1.253 175.809 174.700 -0.240 0.000 1.019 987 T CA 0.896 62.832 62.100 -0.275 0.000 0.921 987 T CB -0.040 68.443 68.868 -0.641 0.000 1.053 987 T HN 2.200 nan 8.240 nan 0.000 0.533 988 G N 1.292 110.001 108.800 -0.152 0.000 2.160 988 G HA2 -0.376 3.585 3.960 0.002 0.000 0.251 988 G HA3 -0.376 3.585 3.960 0.002 0.000 0.251 988 G C 1.316 176.173 174.900 -0.070 0.000 1.008 988 G CA 0.483 45.516 45.100 -0.111 0.000 0.724 988 G HN 1.238 nan 8.290 nan 0.000 0.514 989 C N -2.103 117.175 119.300 -0.037 0.000 2.411 989 C HA 0.204 4.665 4.460 0.002 0.000 0.279 989 C C 2.278 177.284 174.990 0.028 0.000 1.288 989 C CA 1.637 60.673 59.018 0.031 0.000 1.764 989 C CB -1.140 26.687 27.740 0.144 0.000 1.974 989 C HN 1.666 nan 8.230 nan 0.000 0.498 990 T N -0.362 114.203 114.554 0.019 0.000 5.504 990 T HA -0.204 4.147 4.350 0.002 0.000 0.268 990 T C 0.556 175.268 174.700 0.020 0.000 2.211 990 T CA 0.980 63.087 62.100 0.012 0.000 3.769 990 T CB -1.945 66.923 68.868 0.001 0.000 0.563 990 T HN 0.696 nan 8.240 nan 0.000 1.119 991 L N 0.854 122.097 121.223 0.033 0.000 2.083 991 L HA -0.165 4.176 4.340 0.002 0.000 0.209 991 L C 3.074 179.952 176.870 0.014 0.000 1.083 991 L CA 2.282 57.136 54.840 0.023 0.000 0.752 991 L CB -0.486 41.590 42.059 0.028 0.000 0.899 991 L HN 0.857 nan 8.230 nan 0.000 0.433 992 C N -1.246 118.066 119.300 0.021 0.000 2.413 992 C HA -0.206 4.255 4.460 0.002 0.000 0.276 992 C C 2.564 177.561 174.990 0.012 0.000 1.236 992 C CA 0.491 59.519 59.018 0.016 0.000 1.735 992 C CB -1.302 26.455 27.740 0.029 0.000 2.031 992 C HN 0.565 nan 8.230 nan 0.000 0.474 993 L N 1.783 123.014 121.223 0.013 0.000 2.079 993 L HA -0.122 4.219 4.340 0.002 0.000 0.210 993 L C 2.640 179.515 176.870 0.007 0.000 1.081 993 L CA 2.119 56.965 54.840 0.011 0.000 0.752 993 L CB -0.414 41.649 42.059 0.008 0.000 0.896 993 L HN 0.424 nan 8.230 nan 0.000 0.433 994 S N -0.794 114.909 115.700 0.005 0.000 2.447 994 S HA -0.108 4.363 4.470 0.002 0.000 0.233 994 S C 1.571 176.171 174.600 -0.001 0.000 1.006 994 S CA 1.267 59.468 58.200 0.003 0.000 0.957 994 S CB -0.110 63.091 63.200 0.003 0.000 0.773 994 S HN 0.596 nan 8.310 nan 0.000 0.507 995 V N -2.034 117.878 119.914 -0.004 0.000 3.643 995 V HA 0.351 4.472 4.120 0.002 0.000 0.280 995 V C 0.856 176.944 176.094 -0.009 0.000 1.351 995 V CA -0.750 61.544 62.300 -0.011 0.000 1.073 995 V CB -0.938 30.873 31.823 -0.020 0.000 0.863 995 V HN 0.444 nan 8.190 nan 0.000 0.436 996 C N 4.743 124.042 119.300 -0.002 0.000 2.633 996 C HA 0.363 4.824 4.460 0.002 0.000 0.415 996 C C 0.492 175.486 174.990 0.005 0.000 1.393 996 C CA -0.324 58.695 59.018 0.002 0.000 1.700 996 C CB 0.714 28.461 27.740 0.011 0.000 2.541 996 C HN 0.588 nan 8.230 nan 0.000 0.603 997 P HA 0.020 nan 4.420 nan 0.000 0.229 997 P C 0.175 177.486 177.300 0.019 0.000 1.160 997 P CA 1.039 64.144 63.100 0.007 0.000 0.777 997 P CB -0.030 31.672 31.700 0.003 0.000 0.814 998 I N 1.663 122.247 120.570 0.023 0.000 2.312 998 I HA 0.215 4.386 4.170 0.002 0.000 0.290 998 I C 1.009 177.157 176.117 0.053 0.000 1.008 998 I CA -1.817 59.507 61.300 0.041 0.000 1.226 998 I CB 0.629 38.638 38.000 0.014 0.000 1.371 998 I HN -0.167 nan 8.210 nan 0.000 0.468 999 I N 6.678 127.290 120.570 0.070 0.000 2.741 999 I HA -0.086 4.085 4.170 0.002 0.000 0.288 999 I C 0.645 176.804 176.117 0.069 0.000 1.192 999 I CA 0.654 61.989 61.300 0.058 0.000 1.426 999 I CB -0.018 38.011 38.000 0.048 0.000 1.367 999 I HN 0.599 nan 8.210 nan 0.000 0.563 1000 D N 2.803 123.230 120.400 0.046 0.000 3.076 1000 D HA -0.228 4.413 4.640 0.002 0.000 0.218 1000 D C 1.113 177.439 176.300 0.042 0.000 1.156 1000 D CA 0.997 55.022 54.000 0.041 0.000 0.921 1000 D CB -1.381 39.444 40.800 0.042 0.000 1.113 1000 D HN 0.820 nan 8.370 nan 0.000 0.418 1001 C N 0.163 119.486 119.300 0.038 0.000 2.466 1001 C HA 0.097 4.558 4.460 0.002 0.000 0.278 1001 C C 1.218 176.222 174.990 0.023 0.000 1.288 1001 C CA 0.217 59.250 59.018 0.025 0.000 1.722 1001 C CB -0.449 27.301 27.740 0.016 0.000 2.017 1001 C HN 0.340 nan 8.230 nan 0.000 0.488 1002 I N 1.292 121.876 120.570 0.022 0.000 2.412 1002 I HA 0.460 4.630 4.170 0.002 0.000 0.296 1002 I C -0.105 176.021 176.117 0.015 0.000 0.987 1002 I CA -0.201 61.111 61.300 0.020 0.000 1.180 1002 I CB 1.076 39.088 38.000 0.020 0.000 1.340 1002 I HN 0.227 nan 8.210 nan 0.000 0.455 1003 R N 5.436 125.943 120.500 0.011 0.000 2.725 1003 R HA 0.611 4.952 4.340 0.002 0.000 0.277 1003 R C -1.258 175.040 176.300 -0.003 0.000 0.987 1003 R CA -1.081 55.022 56.100 0.004 0.000 0.901 1003 R CB 2.249 32.553 30.300 0.006 0.000 1.207 1003 R HN 0.389 nan 8.270 nan 0.000 0.463 1004 M N 2.871 122.464 119.600 -0.011 0.000 2.157 1004 M HA 0.307 4.788 4.480 0.002 0.000 0.354 1004 M C -0.214 176.072 176.300 -0.025 0.000 1.170 1004 M CA -0.754 54.533 55.300 -0.021 0.000 1.060 1004 M CB 1.007 33.589 32.600 -0.030 0.000 1.615 1004 M HN 0.485 nan 8.290 nan 0.000 0.460 1005 V N 0.348 120.245 119.914 -0.027 0.000 2.914 1005 V HA 0.695 4.816 4.120 0.002 0.000 0.314 1005 V C 0.175 176.247 176.094 -0.038 0.000 1.084 1005 V CA -0.928 61.356 62.300 -0.027 0.000 0.963 1005 V CB 1.729 33.542 31.823 -0.016 0.000 1.025 1005 V HN 0.792 nan 8.190 nan 0.000 0.432 1006 S N 2.425 118.104 115.700 -0.036 0.000 2.563 1006 S HA 0.173 4.644 4.470 0.002 0.000 0.294 1006 S C 0.336 174.912 174.600 -0.040 0.000 1.279 1006 S CA -0.071 58.103 58.200 -0.043 0.000 1.069 1006 S CB -0.117 63.063 63.200 -0.032 0.000 0.828 1006 S HN 0.842 nan 8.310 nan 0.000 0.497 1007 R N 1.372 121.838 120.500 -0.056 0.000 2.491 1007 R HA 0.092 4.433 4.340 0.002 0.000 0.283 1007 R C 1.265 177.554 176.300 -0.017 0.000 1.072 1007 R CA 0.484 56.559 56.100 -0.043 0.000 1.048 1007 R CB 0.323 30.579 30.300 -0.073 0.000 0.983 1007 R HN 0.883 nan 8.270 nan 0.000 0.450 1008 T N -1.548 113.005 114.554 -0.002 0.000 2.978 1008 T HA 0.011 4.362 4.350 0.002 0.000 0.248 1008 T C 0.881 175.592 174.700 0.017 0.000 1.018 1008 T CA 0.292 62.395 62.100 0.005 0.000 1.026 1008 T CB 0.101 68.971 68.868 0.004 0.000 1.032 1008 T HN 0.647 nan 8.240 nan 0.000 0.485 1009 T N 1.151 115.720 114.554 0.025 0.000 2.899 1009 T HA 0.561 4.912 4.350 0.002 0.000 0.284 1009 T C -2.952 171.782 174.700 0.058 0.000 1.004 1009 T CA -1.886 60.236 62.100 0.035 0.000 1.043 1009 T CB 0.621 69.511 68.868 0.036 0.000 1.013 1009 T HN -0.087 nan 8.240 nan 0.000 0.518 1010 P HA 0.104 nan 4.420 nan 0.000 0.264 1010 P C -1.467 175.899 177.300 0.110 0.000 1.183 1010 P CA 0.012 63.150 63.100 0.063 0.000 0.763 1010 P CB -0.025 31.693 31.700 0.029 0.000 0.807 1011 Y N 2.596 122.887 120.300 -0.014 0.000 2.377 1011 Y HA 0.497 5.048 4.550 0.002 0.000 0.339 1011 Y C -0.329 175.561 175.900 -0.017 0.000 1.011 1011 Y CA -1.048 57.039 58.100 -0.021 0.000 1.093 1011 Y CB 1.648 40.092 38.460 -0.027 0.000 1.201 1011 Y HN 0.369 nan 8.280 nan 0.000 0.455 1012 E N 7.484 127.171 120.200 -0.854 0.000 2.294 1012 E HA 0.412 4.763 4.350 0.002 0.000 0.272 1012 E C -2.914 173.232 176.600 -0.757 0.000 0.896 1012 E CA -2.264 53.726 56.400 -0.683 0.000 0.802 1012 E CB 1.480 31.009 29.700 -0.285 0.000 1.267 1012 E HN 0.467 nan 8.360 nan 0.000 0.406 1013 P HA -0.003 nan 4.420 nan 0.000 0.264 1013 P C -1.200 176.010 177.300 -0.149 0.000 1.183 1013 P CA 0.113 63.026 63.100 -0.312 0.000 0.763 1013 P CB 0.400 32.022 31.700 -0.131 0.000 0.807 1014 K N 3.532 123.902 120.400 -0.049 0.000 2.338 1014 K HA 0.167 4.488 4.320 0.002 0.000 0.290 1014 K C 1.003 177.617 176.600 0.024 0.000 1.069 1014 K CA -0.366 55.926 56.287 0.008 0.000 0.941 1014 K CB 0.793 33.346 32.500 0.088 0.000 1.023 1014 K HN 0.221 nan 8.250 nan 0.000 0.477 1015 R N 1.766 122.267 120.500 0.003 0.000 2.312 1015 R HA 0.071 4.412 4.340 0.002 0.000 0.205 1015 R C 1.380 177.687 176.300 0.011 0.000 0.904 1015 R CA 0.618 56.722 56.100 0.006 0.000 1.052 1015 R CB 0.133 30.428 30.300 -0.007 0.000 1.014 1015 R HN 1.067 nan 8.270 nan 0.000 0.503 1016 G N 1.160 109.969 108.800 0.015 0.000 3.078 1016 G HA2 -0.319 3.642 3.960 0.002 0.000 0.227 1016 G HA3 -0.319 3.642 3.960 0.002 0.000 0.227 1016 G C 0.200 175.104 174.900 0.006 0.000 1.306 1016 G CA 0.443 45.550 45.100 0.012 0.000 0.841 1016 G HN 0.268 nan 8.290 nan 0.000 0.530 1017 L N 1.505 122.730 121.223 0.002 0.000 2.409 1017 L HA 0.557 4.898 4.340 0.002 0.000 0.255 1017 L C -2.013 174.855 176.870 -0.003 0.000 1.027 1017 L CA -2.050 52.790 54.840 -0.000 0.000 0.834 1017 L CB 2.480 44.539 42.059 -0.000 0.000 1.426 1017 L HN 0.177 nan 8.230 nan 0.000 0.411 1018 P HA 0.265 nan 4.420 nan 0.000 0.277 1018 P C -0.792 176.506 177.300 -0.005 0.000 1.240 1018 P CA -0.441 62.656 63.100 -0.006 0.000 0.798 1018 P CB 0.860 32.556 31.700 -0.006 0.000 0.979 1019 L N 0.000 121.220 121.223 -0.005 0.000 2.949 1019 L HA 0.000 4.341 4.340 0.002 0.000 0.249 1019 L CA 0.000 54.838 54.840 -0.004 0.000 0.813 1019 L CB 0.000 42.057 42.059 -0.004 0.000 0.961 1019 L HN 0.000 nan 8.230 nan 0.000 0.502