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 1gth_1_B 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 EEKMRLKEQX DATA SEQUENCE XXXXXXERKP FIPKKPIPAI KDVIGKALQY LGTFGELSNI EQVVAVIDEE DATA SEQUENCE MCINCGKCYM TCNDSGYQAI QFDPETHLPT VTDTCTGCTL CLSVCPIIDC DATA SEQUENCE IRMVSRTTPY EPKRGLPLA 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 52.038 52.037 0.001 0.000 0.836 2 A CB 0.000 19.000 19.000 0.000 0.000 0.831 3 P HA 0.267 nan 4.420 nan 0.000 0.271 3 P C -0.232 177.069 177.300 0.002 0.000 1.228 3 P CA -0.447 62.655 63.100 0.003 0.000 0.797 3 P CB 0.282 31.985 31.700 0.004 0.000 0.914 4 V N 2.387 122.303 119.914 0.002 0.000 2.390 4 V HA -0.026 4.094 4.120 -0.000 0.000 0.260 4 V C 1.718 177.813 176.094 0.000 0.000 1.043 4 V CA 0.311 62.611 62.300 0.001 0.000 1.047 4 V CB -0.568 31.255 31.823 0.001 0.000 1.066 4 V HN 0.504 nan 8.190 nan 0.000 0.481 5 L N 3.714 124.936 121.223 -0.001 0.000 2.083 5 L HA -0.119 4.221 4.340 -0.000 0.000 0.209 5 L C 2.328 179.195 176.870 -0.005 0.000 1.083 5 L CA 1.708 56.547 54.840 -0.002 0.000 0.752 5 L CB -0.371 41.687 42.059 -0.002 0.000 0.899 5 L HN 0.831 nan 8.230 nan 0.000 0.433 6 S N -1.353 114.343 115.700 -0.007 0.000 2.786 6 S HA 0.034 4.504 4.470 -0.000 0.000 0.223 6 S C 0.428 175.021 174.600 -0.010 0.000 0.956 6 S CA -0.084 58.109 58.200 -0.011 0.000 0.961 6 S CB -0.273 62.920 63.200 -0.012 0.000 0.784 6 S HN 0.275 nan 8.310 nan 0.000 0.519 7 K N 1.046 121.442 120.400 -0.006 0.000 2.371 7 K HA 0.293 4.613 4.320 -0.000 0.000 0.251 7 K C -1.539 175.060 176.600 -0.001 0.000 0.934 7 K CA -0.689 55.596 56.287 -0.004 0.000 0.798 7 K CB 1.145 33.645 32.500 -0.000 0.000 1.204 7 K HN 0.043 nan 8.250 nan 0.000 0.427 8 D N 2.911 123.311 120.400 0.000 0.000 2.351 8 D HA 0.055 4.695 4.640 -0.000 0.000 0.251 8 D C 0.418 176.726 176.300 0.012 0.000 1.137 8 D CA -0.084 53.920 54.000 0.006 0.000 0.879 8 D CB 1.279 42.082 40.800 0.006 0.000 1.181 8 D HN 0.362 nan 8.370 nan 0.000 0.448 9 V N 0.120 120.044 119.914 0.016 0.000 3.185 9 V HA 0.301 4.421 4.120 -0.000 0.000 0.305 9 V C 1.610 177.718 176.094 0.024 0.000 1.090 9 V CA -0.100 62.212 62.300 0.019 0.000 1.107 9 V CB 0.659 32.494 31.823 0.020 0.000 1.061 9 V HN 0.622 nan 8.190 nan 0.000 0.480 10 A N 0.640 123.474 122.820 0.024 0.000 1.915 10 A HA -0.251 4.069 4.320 -0.000 0.000 0.220 10 A C 1.748 179.353 177.584 0.035 0.000 1.198 10 A CA 2.464 54.518 52.037 0.028 0.000 0.647 10 A CB -1.060 17.954 19.000 0.025 0.000 0.825 10 A HN 1.032 nan 8.150 nan 0.000 0.456 11 D N -0.236 120.186 120.400 0.036 0.000 2.123 11 D HA -0.131 4.509 4.640 -0.000 0.000 0.196 11 D C 1.906 178.239 176.300 0.053 0.000 0.992 11 D CA 1.232 55.259 54.000 0.044 0.000 0.833 11 D CB -0.277 40.548 40.800 0.042 0.000 0.954 11 D HN 0.391 nan 8.370 nan 0.000 0.455 12 I N 0.990 121.589 120.570 0.048 0.000 2.286 12 I HA -0.139 4.031 4.170 -0.000 0.000 0.245 12 I C 2.358 178.506 176.117 0.052 0.000 1.104 12 I CA 0.748 62.079 61.300 0.051 0.000 1.397 12 I CB -1.068 36.954 38.000 0.036 0.000 1.072 12 I HN 0.088 nan 8.210 nan 0.000 0.417 13 E N 0.613 120.839 120.200 0.043 0.000 2.118 13 E HA -0.245 4.104 4.350 -0.000 0.000 0.195 13 E C 2.382 179.020 176.600 0.063 0.000 0.992 13 E CA 1.669 58.095 56.400 0.043 0.000 0.804 13 E CB 0.120 29.841 29.700 0.035 0.000 0.741 13 E HN 0.323 nan 8.360 nan 0.000 0.458 14 S N 0.099 115.839 115.700 0.067 0.000 2.368 14 S HA -0.097 4.373 4.470 -0.000 0.000 0.224 14 S C 1.995 176.663 174.600 0.113 0.000 1.029 14 S CA 0.750 58.998 58.200 0.080 0.000 0.988 14 S CB -0.196 63.044 63.200 0.066 0.000 0.838 14 S HN 0.387 nan 8.310 nan 0.000 0.462 15 I N 0.822 121.466 120.570 0.122 0.000 2.493 15 I HA -0.024 4.146 4.170 -0.000 0.000 0.254 15 I C 1.235 177.514 176.117 0.270 0.000 1.160 15 I CA 0.935 62.345 61.300 0.183 0.000 1.445 15 I CB 0.049 38.147 38.000 0.164 0.000 1.086 15 I HN 0.330 nan 8.210 nan 0.000 0.433 16 L N 0.027 121.352 121.223 0.170 0.000 2.591 16 L HA 0.107 4.447 4.340 -0.000 0.000 0.228 16 L C 2.458 179.433 176.870 0.174 0.000 1.133 16 L CA 0.196 55.115 54.840 0.131 0.000 0.880 16 L CB -0.451 41.625 42.059 0.028 0.000 1.033 16 L HN 0.177 nan 8.230 nan 0.000 0.450 17 A N 0.482 123.418 122.820 0.194 0.000 1.927 17 A HA -0.220 4.100 4.320 -0.000 0.000 0.220 17 A C 1.857 179.559 177.584 0.197 0.000 1.185 17 A CA 1.809 53.944 52.037 0.164 0.000 0.639 17 A CB -0.376 18.709 19.000 0.141 0.000 0.820 17 A HN 0.352 nan 8.150 nan 0.000 0.451 18 L N -0.308 121.104 121.223 0.315 0.000 2.628 18 L HA 0.217 4.557 4.340 -0.000 0.000 0.229 18 L C 0.551 177.643 176.870 0.369 0.000 1.137 18 L CA -0.085 54.957 54.840 0.336 0.000 0.909 18 L CB -1.019 41.263 42.059 0.371 0.000 1.137 18 L HN 0.354 nan 8.230 nan 0.000 0.470 19 N N 1.529 120.373 118.700 0.239 0.000 2.483 19 N HA 0.090 4.830 4.740 -0.000 0.000 0.264 19 N C -2.298 173.218 175.510 0.010 0.000 1.197 19 N CA -1.245 51.802 53.050 -0.004 0.000 0.927 19 N CB 0.595 38.985 38.487 -0.161 0.000 1.065 19 N HN -0.042 nan 8.380 nan 0.000 0.461 20 P HA 0.079 nan 4.420 nan 0.000 0.265 20 P C -1.065 176.221 177.300 -0.023 0.000 1.193 20 P CA 0.426 63.516 63.100 -0.017 0.000 0.765 20 P CB 0.566 32.242 31.700 -0.039 0.000 0.823 21 R N 1.029 121.525 120.500 -0.007 0.000 2.548 21 R HA 0.335 4.675 4.340 -0.000 0.000 0.280 21 R C -0.406 175.893 176.300 -0.002 0.000 1.061 21 R CA -0.644 55.452 56.100 -0.007 0.000 0.915 21 R CB 1.718 32.020 30.300 0.004 0.000 1.210 21 R HN 0.334 nan 8.270 nan 0.000 0.442 22 T N 3.272 117.821 114.554 -0.009 0.000 2.916 22 T HA 0.048 4.398 4.350 -0.000 0.000 0.303 22 T C 0.257 174.957 174.700 -0.001 0.000 1.025 22 T CA 0.014 62.108 62.100 -0.009 0.000 1.142 22 T CB 0.624 69.481 68.868 -0.019 0.000 0.947 22 T HN 0.323 nan 8.240 nan 0.000 0.544 23 Q N 1.306 121.110 119.800 0.006 0.000 2.354 23 Q HA 0.243 4.583 4.340 -0.000 0.000 0.244 23 Q C 1.116 177.109 176.000 -0.012 0.000 0.969 23 Q CA -0.442 55.373 55.803 0.020 0.000 0.885 23 Q CB 0.760 29.522 28.738 0.040 0.000 1.241 23 Q HN 0.840 nan 8.270 nan 0.000 0.461 24 S N 0.070 115.763 115.700 -0.011 0.000 2.517 24 S HA 0.092 4.562 4.470 -0.000 0.000 0.214 24 S C -0.053 174.305 174.600 -0.403 0.000 0.991 24 S CA 0.014 58.118 58.200 -0.161 0.000 0.906 24 S CB 0.182 63.310 63.200 -0.120 0.000 0.789 24 S HN 0.618 nan 8.310 nan 0.000 0.513 25 H N 0.167 119.236 119.070 -0.001 0.000 2.949 25 H HA 0.750 5.306 4.556 -0.000 0.000 0.356 25 H C -0.228 175.100 175.328 -0.001 0.000 1.212 25 H CA -0.419 55.627 56.048 -0.003 0.000 1.136 25 H CB 1.268 31.025 29.762 -0.008 0.000 1.869 25 H HN 0.290 nan 8.280 nan 0.000 0.556 26 A N 0.875 123.778 122.820 0.137 0.000 2.425 26 A HA 0.585 4.905 4.320 -0.000 0.000 0.242 26 A C 0.355 177.977 177.584 0.064 0.000 1.077 26 A CA 0.176 52.258 52.037 0.075 0.000 0.781 26 A CB -0.245 18.787 19.000 0.054 0.000 1.020 26 A HN 0.784 nan 8.150 nan 0.000 0.494 27 A N 0.300 123.155 122.820 0.058 0.000 2.313 27 A HA 0.584 4.904 4.320 -0.000 0.000 0.261 27 A C -0.450 177.106 177.584 -0.047 0.000 1.090 27 A CA -0.204 51.855 52.037 0.036 0.000 0.807 27 A CB 0.308 19.411 19.000 0.171 0.000 1.055 27 A HN 1.464 nan 8.150 nan 0.000 0.492 28 L N 1.838 122.903 121.223 -0.264 0.000 2.457 28 L HA 0.491 4.831 4.340 -0.000 0.000 0.266 28 L C -1.381 175.152 176.870 -0.561 0.000 0.979 28 L CA 0.147 54.826 54.840 -0.269 0.000 0.857 28 L CB 1.025 42.968 42.059 -0.192 0.000 1.213 28 L HN 0.755 nan 8.230 nan 0.000 0.418 29 H N 2.521 121.601 119.070 0.016 0.000 3.096 29 H HA 0.342 4.898 4.556 -0.000 0.000 0.335 29 H C -0.383 174.956 175.328 0.018 0.000 0.990 29 H CA -0.537 55.523 56.048 0.019 0.000 1.393 29 H CB 1.914 31.691 29.762 0.025 0.000 1.742 29 H HN 0.622 nan 8.280 nan 0.000 0.501 30 S N 1.860 117.621 115.700 0.102 0.000 2.569 30 S HA -0.028 4.442 4.470 -0.000 0.000 0.274 30 S C 1.213 175.857 174.600 0.074 0.000 1.353 30 S CA 0.161 58.401 58.200 0.066 0.000 1.023 30 S CB 1.009 64.236 63.200 0.044 0.000 0.876 30 S HN 0.580 nan 8.310 nan 0.000 0.540 31 T N 1.683 116.269 114.554 0.053 0.000 2.833 31 T HA -0.097 4.253 4.350 -0.000 0.000 0.269 31 T C 1.602 176.328 174.700 0.044 0.000 1.054 31 T CA 1.414 63.541 62.100 0.046 0.000 1.135 31 T CB -0.519 68.369 68.868 0.034 0.000 0.869 31 T HN 0.553 nan 8.240 nan 0.000 0.466 32 L N 1.462 122.709 121.223 0.040 0.000 2.027 32 L HA 0.122 4.462 4.340 -0.000 0.000 0.206 32 L C 2.614 179.509 176.870 0.042 0.000 1.074 32 L CA 1.926 56.787 54.840 0.035 0.000 0.745 32 L CB -1.071 41.005 42.059 0.029 0.000 0.898 32 L HN 0.199 nan 8.230 nan 0.000 0.433 33 A N -0.667 122.185 122.820 0.054 0.000 1.940 33 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 33 A C 2.287 179.908 177.584 0.062 0.000 1.176 33 A CA 1.739 53.814 52.037 0.064 0.000 0.631 33 A CB -0.530 18.527 19.000 0.096 0.000 0.814 33 A HN 0.401 nan 8.150 nan 0.000 0.446 34 K N 0.053 120.491 120.400 0.064 0.000 2.057 34 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 34 K C 1.934 178.566 176.600 0.054 0.000 1.050 34 K CA 1.594 57.913 56.287 0.054 0.000 0.935 34 K CB -0.352 32.177 32.500 0.049 0.000 0.715 34 K HN 0.540 nan 8.250 nan 0.000 0.439 35 K N 0.691 121.118 120.400 0.046 0.000 2.097 35 K HA -0.055 4.265 4.320 -0.000 0.000 0.206 35 K C 2.172 178.795 176.600 0.039 0.000 1.049 35 K CA 0.980 57.291 56.287 0.040 0.000 0.933 35 K CB -0.114 32.406 32.500 0.032 0.000 0.717 35 K HN 0.056 nan 8.250 nan 0.000 0.442 36 L N 0.216 121.460 121.223 0.035 0.000 2.291 36 L HA -0.134 4.206 4.340 -0.000 0.000 0.214 36 L C 1.863 178.749 176.870 0.026 0.000 1.120 36 L CA 0.871 55.725 54.840 0.024 0.000 0.799 36 L CB -0.182 41.888 42.059 0.017 0.000 0.925 36 L HN 0.173 nan 8.230 nan 0.000 0.446 37 D N -0.020 120.413 120.400 0.056 0.000 2.271 37 D HA -0.135 4.505 4.640 -0.000 0.000 0.206 37 D C 2.157 178.549 176.300 0.155 0.000 0.967 37 D CA 0.537 54.593 54.000 0.094 0.000 0.867 37 D CB 0.282 41.167 40.800 0.142 0.000 0.960 37 D HN -0.008 nan 8.370 nan 0.000 0.509 38 K N 0.616 121.100 120.400 0.140 0.000 2.044 38 K HA -0.190 4.130 4.320 -0.000 0.000 0.210 38 K C 1.727 178.402 176.600 0.125 0.000 1.049 38 K CA 1.270 57.656 56.287 0.165 0.000 0.927 38 K CB 0.109 32.667 32.500 0.096 0.000 0.713 38 K HN 0.039 nan 8.250 nan 0.000 0.443 39 K N -0.643 119.786 120.400 0.048 0.000 2.280 39 K HA -0.205 4.115 4.320 -0.000 0.000 0.202 39 K C 1.981 178.541 176.600 -0.066 0.000 1.047 39 K CA 1.417 57.705 56.287 0.001 0.000 0.942 39 K CB -0.319 32.171 32.500 -0.016 0.000 0.739 39 K HN 0.405 nan 8.250 nan 0.000 0.457 40 H N -0.493 118.418 119.070 -0.266 0.000 2.423 40 H HA -0.129 4.427 4.556 -0.000 0.000 0.297 40 H C 0.930 175.970 175.328 -0.480 0.000 1.075 40 H CA 1.689 57.420 56.048 -0.530 0.000 1.342 40 H CB 0.045 29.272 29.762 -0.893 0.000 1.395 40 H HN 0.255 nan 8.280 nan 0.000 0.530 41 W N 0.281 121.622 121.300 0.068 0.000 3.220 41 W HA 0.232 4.892 4.660 -0.000 0.000 0.328 41 W C 0.400 176.897 176.519 -0.038 0.000 1.205 41 W CA -0.770 56.522 57.345 -0.088 0.000 1.773 41 W CB 0.267 29.628 29.460 -0.166 0.000 1.086 41 W HN -0.157 nan 8.180 nan 0.000 0.622 42 K N 2.068 122.565 120.400 0.163 0.000 2.473 42 K HA -0.055 4.265 4.320 -0.000 0.000 0.277 42 K C 1.182 177.865 176.600 0.139 0.000 1.052 42 K CA 0.680 57.037 56.287 0.115 0.000 1.114 42 K CB 0.476 33.011 32.500 0.058 0.000 0.869 42 K HN -0.062 nan 8.250 nan 0.000 0.481 43 R N 1.973 122.536 120.500 0.104 0.000 2.140 43 R HA 0.059 4.399 4.340 -0.000 0.000 0.200 43 R C 0.421 176.753 176.300 0.053 0.000 1.069 43 R CA 0.397 56.560 56.100 0.105 0.000 1.088 43 R CB -0.519 29.830 30.300 0.082 0.000 1.012 43 R HN 0.816 nan 8.270 nan 0.000 0.500 44 N N 1.918 120.633 118.700 0.025 0.000 2.448 44 N HA 0.227 4.967 4.740 -0.000 0.000 0.274 44 N C -2.647 172.854 175.510 -0.015 0.000 1.239 44 N CA -1.738 51.310 53.050 -0.004 0.000 0.982 44 N CB -0.850 37.627 38.487 -0.017 0.000 1.199 44 N HN -0.240 nan 8.380 nan 0.000 0.576 45 P HA 0.087 nan 4.420 nan 0.000 0.268 45 P C -0.755 176.508 177.300 -0.061 0.000 1.205 45 P CA 0.086 63.154 63.100 -0.053 0.000 0.771 45 P CB 0.296 31.961 31.700 -0.058 0.000 0.858 46 D N 2.152 122.504 120.400 -0.080 0.000 2.316 46 D HA 0.006 4.646 4.640 -0.000 0.000 0.245 46 D C 1.103 177.331 176.300 -0.121 0.000 1.171 46 D CA -0.274 53.677 54.000 -0.081 0.000 0.856 46 D CB 0.874 41.630 40.800 -0.074 0.000 1.090 46 D HN 0.360 nan 8.370 nan 0.000 0.476 47 K N 3.010 123.344 120.400 -0.110 0.000 2.360 47 K HA -0.093 4.227 4.320 -0.000 0.000 0.201 47 K C 0.529 176.991 176.600 -0.230 0.000 1.046 47 K CA 0.879 57.076 56.287 -0.150 0.000 0.945 47 K CB 0.179 32.614 32.500 -0.107 0.000 0.750 47 K HN 0.174 nan 8.250 nan 0.000 0.464 48 N N 0.411 119.004 118.700 -0.178 0.000 2.373 48 N HA -0.019 4.721 4.740 -0.000 0.000 0.181 48 N C -0.099 175.285 175.510 -0.211 0.000 1.082 48 N CA 0.129 53.072 53.050 -0.179 0.000 0.885 48 N CB 0.160 38.639 38.487 -0.013 0.000 0.977 48 N HN 0.198 nan 8.380 nan 0.000 0.462 49 C N 1.228 120.407 119.300 -0.202 0.000 2.482 49 C HA 0.268 4.728 4.460 -0.000 0.000 0.378 49 C C 1.306 176.154 174.990 -0.237 0.000 1.284 49 C CA -0.475 58.463 59.018 -0.133 0.000 1.826 49 C CB -1.597 26.003 27.740 -0.234 0.000 2.473 49 C HN 0.254 nan 8.230 nan 0.000 0.562 50 F N 4.205 124.148 119.950 -0.012 0.000 2.754 50 F HA 0.139 4.666 4.527 -0.000 0.000 0.297 50 F C 1.821 177.647 175.800 0.044 0.000 1.122 50 F CA 0.277 58.291 58.000 0.024 0.000 1.400 50 F CB -0.438 38.601 39.000 0.064 0.000 1.117 50 F HN 0.740 nan 8.300 nan 0.000 0.587 51 H N -0.759 118.402 119.070 0.152 0.000 3.463 51 H HA 0.729 5.285 4.556 -0.000 0.000 0.213 51 H C 0.022 175.370 175.328 0.033 0.000 1.629 51 H CA -0.665 55.431 56.048 0.078 0.000 1.681 51 H CB 0.885 30.685 29.762 0.062 0.000 1.239 51 H HN 0.088 nan 8.280 nan 0.000 0.948 52 C N -1.222 118.112 119.300 0.056 0.000 3.197 52 C HA 0.270 4.730 4.460 -0.000 0.000 0.343 52 C C 0.044 175.108 174.990 0.123 0.000 1.291 52 C CA -0.516 58.486 59.018 -0.025 0.000 1.191 52 C CB 0.728 28.448 27.740 -0.035 0.000 1.444 52 C HN 1.182 nan 8.230 nan 0.000 0.468 53 E N 2.009 122.248 120.200 0.065 0.000 2.504 53 E HA 0.141 4.491 4.350 -0.000 0.000 0.266 53 E C -0.628 175.989 176.600 0.028 0.000 1.239 53 E CA 0.152 56.586 56.400 0.057 0.000 1.064 53 E CB 0.470 30.178 29.700 0.014 0.000 0.996 53 E HN 0.677 nan 8.360 nan 0.000 0.479 54 K N 0.797 121.203 120.400 0.009 0.000 2.174 54 K HA 0.254 4.574 4.320 -0.000 0.000 0.275 54 K C 0.186 176.759 176.600 -0.046 0.000 1.015 54 K CA -0.329 55.950 56.287 -0.013 0.000 0.933 54 K CB 0.918 33.413 32.500 -0.008 0.000 1.025 54 K HN 0.459 nan 8.250 nan 0.000 0.463 55 L N 1.479 122.656 121.223 -0.077 0.000 2.959 55 L HA 0.169 4.509 4.340 -0.000 0.000 0.259 55 L C 0.365 177.140 176.870 -0.158 0.000 1.185 55 L CA -0.118 54.639 54.840 -0.138 0.000 0.998 55 L CB 0.362 42.302 42.059 -0.198 0.000 1.337 55 L HN 0.679 nan 8.230 nan 0.000 0.555 56 E N 1.626 121.773 120.200 -0.089 0.000 2.480 56 E HA -0.166 4.184 4.350 -0.000 0.000 0.258 56 E C 0.520 177.088 176.600 -0.053 0.000 0.984 56 E CA 0.193 56.556 56.400 -0.062 0.000 0.930 56 E CB 0.179 29.872 29.700 -0.012 0.000 0.936 56 E HN 0.237 nan 8.360 nan 0.000 0.466 57 N N 2.980 121.650 118.700 -0.051 0.000 2.708 57 N HA -0.255 4.485 4.740 -0.000 0.000 0.251 57 N C -1.347 174.181 175.510 0.030 0.000 1.123 57 N CA 0.913 54.023 53.050 0.100 0.000 0.739 57 N CB -0.941 37.647 38.487 0.168 0.000 1.113 57 N HN 0.466 nan 8.380 nan 0.000 0.561 58 N N 0.508 119.056 118.700 -0.253 0.000 2.485 58 N HA 0.215 4.955 4.740 -0.000 0.000 0.243 58 N C -0.677 174.618 175.510 -0.359 0.000 0.987 58 N CA -0.185 52.760 53.050 -0.176 0.000 0.940 58 N CB -0.144 38.245 38.487 -0.162 0.000 1.122 58 N HN 0.179 nan 8.380 nan 0.000 0.509 59 F N 0.741 120.746 119.950 0.092 0.000 2.772 59 F HA 0.293 4.819 4.527 -0.000 0.000 0.302 59 F C 0.399 176.301 175.800 0.169 0.000 1.136 59 F CA -0.733 57.383 58.000 0.193 0.000 1.322 59 F CB 0.251 39.354 39.000 0.171 0.000 0.967 59 F HN 0.179 nan 8.300 nan 0.000 0.513 60 D N 0.760 121.272 120.400 0.186 0.000 2.399 60 D HA -0.054 4.586 4.640 -0.000 0.000 0.241 60 D C -0.004 176.392 176.300 0.160 0.000 1.133 60 D CA 0.102 54.190 54.000 0.147 0.000 0.890 60 D CB 0.663 41.511 40.800 0.080 0.000 1.201 60 D HN 0.072 nan 8.370 nan 0.000 0.432 61 D N 0.847 121.335 120.400 0.148 0.000 2.520 61 D HA -0.061 4.579 4.640 -0.000 0.000 0.243 61 D C 1.022 177.391 176.300 0.114 0.000 1.160 61 D CA 0.181 54.267 54.000 0.144 0.000 0.877 61 D CB 0.151 41.016 40.800 0.109 0.000 1.150 61 D HN 0.404 nan 8.370 nan 0.000 0.494 62 I N -0.022 120.621 120.570 0.122 0.000 4.018 62 I HA 0.224 4.394 4.170 -0.000 0.000 0.337 62 I C 0.332 176.467 176.117 0.029 0.000 1.327 62 I CA -0.687 60.647 61.300 0.056 0.000 1.100 62 I CB 0.001 37.986 38.000 -0.024 0.000 1.025 62 I HN -0.021 nan 8.210 nan 0.000 0.396 63 K N 1.644 122.079 120.400 0.058 0.000 2.451 63 K HA 0.103 4.423 4.320 -0.000 0.000 0.280 63 K C 0.154 176.818 176.600 0.106 0.000 1.020 63 K CA 0.134 56.436 56.287 0.025 0.000 1.008 63 K CB 0.573 33.105 32.500 0.054 0.000 0.917 63 K HN 0.384 nan 8.250 nan 0.000 0.478 64 H N 0.073 119.168 119.070 0.042 0.000 2.535 64 H HA -0.061 4.495 4.556 -0.000 0.000 0.273 64 H C 1.552 176.899 175.328 0.033 0.000 0.983 64 H CA 1.038 57.106 56.048 0.033 0.000 1.238 64 H CB 0.478 30.254 29.762 0.024 0.000 1.412 64 H HN 0.675 nan 8.280 nan 0.000 0.562 65 T N -1.935 112.709 114.554 0.150 0.000 3.107 65 T HA 0.020 4.370 4.350 -0.000 0.000 0.249 65 T C 0.941 175.690 174.700 0.083 0.000 1.096 65 T CA -0.187 61.973 62.100 0.100 0.000 1.012 65 T CB -0.096 68.820 68.868 0.080 0.000 0.977 65 T HN -0.036 nan 8.240 nan 0.000 0.527 66 T N 3.124 117.730 114.554 0.088 0.000 2.928 66 T HA 0.452 4.802 4.350 -0.000 0.000 0.305 66 T C -0.237 174.501 174.700 0.064 0.000 1.035 66 T CA 0.050 62.198 62.100 0.079 0.000 1.145 66 T CB 0.247 69.164 68.868 0.082 0.000 0.963 66 T HN 0.293 nan 8.240 nan 0.000 0.545 67 L N 1.896 123.155 121.223 0.059 0.000 2.370 67 L HA 0.717 5.057 4.340 -0.000 0.000 0.266 67 L C 0.859 177.712 176.870 -0.029 0.000 1.002 67 L CA -1.088 53.746 54.840 -0.011 0.000 0.818 67 L CB 2.077 44.091 42.059 -0.076 0.000 1.325 67 L HN 0.741 nan 8.230 nan 0.000 0.418 68 G N -0.359 108.352 108.800 -0.148 0.000 2.557 68 G HA2 0.243 4.203 3.960 -0.000 0.000 0.302 68 G HA3 0.243 4.203 3.960 -0.000 0.000 0.302 68 G C 0.372 174.967 174.900 -0.508 0.000 1.311 68 G CA -0.234 44.736 45.100 -0.215 0.000 1.030 68 G HN 0.782 nan 8.290 nan 0.000 0.509 69 E N -0.675 119.277 120.200 -0.414 0.000 2.051 69 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 69 E C 2.310 178.675 176.600 -0.391 0.000 0.991 69 E CA 0.995 57.044 56.400 -0.586 0.000 0.799 69 E CB -0.079 29.567 29.700 -0.090 0.000 0.748 69 E HN 0.492 nan 8.360 nan 0.000 0.449 70 R N -0.037 120.336 120.500 -0.212 0.000 2.094 70 R HA -0.166 4.174 4.340 -0.000 0.000 0.239 70 R C 2.350 178.572 176.300 -0.131 0.000 1.137 70 R CA 1.977 58.013 56.100 -0.107 0.000 0.943 70 R CB -0.807 29.483 30.300 -0.016 0.000 0.850 70 R HN 0.303 nan 8.270 nan 0.000 0.433 71 G N -0.300 108.406 108.800 -0.156 0.000 2.408 71 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 71 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 71 G C 1.549 176.338 174.900 -0.185 0.000 1.150 71 G CA 0.792 45.813 45.100 -0.131 0.000 0.776 71 G HN 0.524 nan 8.290 nan 0.000 0.542 72 A N 0.633 123.234 122.820 -0.365 0.000 1.902 72 A HA 0.106 4.426 4.320 -0.000 0.000 0.217 72 A C 2.428 179.894 177.584 -0.197 0.000 1.181 72 A CA 1.197 53.004 52.037 -0.384 0.000 0.623 72 A CB -0.420 18.006 19.000 -0.958 0.000 0.818 72 A HN 0.346 nan 8.150 nan 0.000 0.443 73 L N -1.083 120.033 121.223 -0.179 0.000 2.046 73 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 73 L C 2.921 179.777 176.870 -0.022 0.000 1.077 73 L CA 1.514 56.333 54.840 -0.036 0.000 0.747 73 L CB -0.476 41.582 42.059 -0.002 0.000 0.896 73 L HN 0.376 nan 8.230 nan 0.000 0.432 74 R N -0.216 120.257 120.500 -0.044 0.000 2.066 74 R HA -0.202 4.138 4.340 -0.000 0.000 0.232 74 R C 2.247 178.535 176.300 -0.020 0.000 1.131 74 R CA 1.559 57.643 56.100 -0.025 0.000 0.955 74 R CB -0.220 30.063 30.300 -0.028 0.000 0.851 74 R HN 0.224 nan 8.270 nan 0.000 0.432 75 E N 0.676 120.857 120.200 -0.031 0.000 2.150 75 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 75 E C 1.724 178.318 176.600 -0.010 0.000 0.985 75 E CA 1.307 57.695 56.400 -0.019 0.000 0.814 75 E CB -0.018 29.670 29.700 -0.019 0.000 0.752 75 E HN 0.339 nan 8.360 nan 0.000 0.466 76 A N 0.113 122.931 122.820 -0.002 0.000 1.930 76 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 76 A C 2.183 179.772 177.584 0.009 0.000 1.175 76 A CA 1.473 53.518 52.037 0.013 0.000 0.627 76 A CB -0.437 18.599 19.000 0.060 0.000 0.815 76 A HN 0.320 nan 8.150 nan 0.000 0.443 77 M N -1.427 118.181 119.600 0.013 0.000 2.229 77 M HA -0.085 4.395 4.480 -0.000 0.000 0.264 77 M C 2.304 178.608 176.300 0.006 0.000 1.063 77 M CA 1.477 56.786 55.300 0.014 0.000 1.114 77 M CB -0.190 32.418 32.600 0.014 0.000 1.387 77 M HN 0.448 nan 8.290 nan 0.000 0.420 78 R N 0.078 120.578 120.500 -0.000 0.000 2.115 78 R HA -0.048 4.292 4.340 -0.000 0.000 0.226 78 R C 0.777 177.075 176.300 -0.004 0.000 1.100 78 R CA 0.457 56.556 56.100 -0.001 0.000 0.980 78 R CB -0.107 30.191 30.300 -0.004 0.000 0.875 78 R HN 0.439 nan 8.270 nan 0.000 0.445 79 C N 1.408 120.699 119.300 -0.015 0.000 2.538 79 C HA 0.011 4.471 4.460 -0.000 0.000 0.408 79 C C 1.941 176.919 174.990 -0.021 0.000 1.421 79 C CA -0.401 58.599 59.018 -0.030 0.000 1.642 79 C CB -0.558 27.145 27.740 -0.062 0.000 2.553 79 C HN 0.575 nan 8.230 nan 0.000 0.604 80 L N 4.011 125.222 121.223 -0.019 0.000 2.376 80 L HA 0.013 4.353 4.340 -0.000 0.000 0.219 80 L C 1.608 178.468 176.870 -0.018 0.000 1.133 80 L CA 0.628 55.464 54.840 -0.008 0.000 0.816 80 L CB -0.614 41.444 42.059 -0.002 0.000 0.933 80 L HN 0.825 nan 8.230 nan 0.000 0.449 81 K N -0.124 120.251 120.400 -0.042 0.000 3.419 81 K HA -0.168 4.152 4.320 -0.000 0.000 0.272 81 K C -0.073 176.502 176.600 -0.042 0.000 0.973 81 K CA -0.049 56.205 56.287 -0.056 0.000 0.749 81 K CB -2.344 30.131 32.500 -0.042 0.000 1.403 81 K HN 0.319 nan 8.250 nan 0.000 0.456 82 C N 0.616 119.891 119.300 -0.042 0.000 2.703 82 C HA 0.392 4.852 4.460 -0.000 0.000 0.411 82 C C 1.624 176.595 174.990 -0.032 0.000 1.290 82 C CA -0.446 58.554 59.018 -0.030 0.000 2.054 82 C CB 0.090 27.814 27.740 -0.027 0.000 2.732 82 C HN 0.660 nan 8.230 nan 0.000 0.650 83 A N 1.016 123.823 122.820 -0.022 0.000 2.354 83 A HA 0.467 4.787 4.320 -0.000 0.000 0.269 83 A C 0.641 178.216 177.584 -0.016 0.000 1.109 83 A CA 0.096 52.123 52.037 -0.018 0.000 0.800 83 A CB -0.111 18.882 19.000 -0.012 0.000 1.045 83 A HN 1.106 nan 8.150 nan 0.000 0.489 84 D N 0.049 120.441 120.400 -0.012 0.000 2.702 84 D HA -0.136 4.504 4.640 -0.000 0.000 0.233 84 D C 0.506 176.796 176.300 -0.017 0.000 1.164 84 D CA 1.049 55.046 54.000 -0.005 0.000 0.638 84 D CB -1.170 39.635 40.800 0.008 0.000 1.041 84 D HN 1.164 nan 8.370 nan 0.000 0.422 85 A N 0.646 123.443 122.820 -0.038 0.000 2.591 85 A HA 0.149 4.469 4.320 -0.000 0.000 0.244 85 A C -0.469 177.090 177.584 -0.042 0.000 1.031 85 A CA 0.057 52.066 52.037 -0.047 0.000 0.767 85 A CB 0.367 19.323 19.000 -0.073 0.000 0.942 85 A HN 0.336 nan 8.150 nan 0.000 0.514 86 P HA -0.117 nan 4.420 nan 0.000 0.225 86 P C 1.575 178.859 177.300 -0.026 0.000 1.156 86 P CA 1.538 64.627 63.100 -0.018 0.000 0.787 86 P CB -0.410 31.284 31.700 -0.011 0.000 0.802 87 C N -0.670 118.607 119.300 -0.039 0.000 2.446 87 C HA -0.082 4.378 4.460 -0.000 0.000 0.277 87 C C 2.963 177.922 174.990 -0.051 0.000 1.275 87 C CA 0.860 59.854 59.018 -0.040 0.000 1.727 87 C CB -2.144 25.567 27.740 -0.048 0.000 2.010 87 C HN 0.202 nan 8.230 nan 0.000 0.486 88 Q N 1.318 121.063 119.800 -0.092 0.000 2.119 88 Q HA -0.155 4.185 4.340 -0.000 0.000 0.201 88 Q C 2.268 178.190 176.000 -0.129 0.000 0.972 88 Q CA 1.433 57.135 55.803 -0.168 0.000 0.847 88 Q CB -0.160 28.403 28.738 -0.292 0.000 0.903 88 Q HN 0.715 nan 8.270 nan 0.000 0.433 89 K N -0.224 120.149 120.400 -0.046 0.000 2.211 89 K HA -0.028 4.292 4.320 -0.000 0.000 0.203 89 K C 1.752 178.385 176.600 0.056 0.000 1.050 89 K CA 1.222 57.546 56.287 0.061 0.000 0.945 89 K CB 0.138 32.670 32.500 0.053 0.000 0.732 89 K HN 0.046 nan 8.250 nan 0.000 0.451 90 S N 0.295 116.005 115.700 0.016 0.000 2.593 90 S HA 0.000 4.470 4.470 -0.000 0.000 0.217 90 S C 0.384 174.995 174.600 0.018 0.000 0.966 90 S CA -0.220 57.988 58.200 0.013 0.000 0.914 90 S CB -0.094 63.102 63.200 -0.006 0.000 0.776 90 S HN 0.335 nan 8.310 nan 0.000 0.523 91 C N 3.292 122.607 119.300 0.025 0.000 2.285 91 C HA 0.461 4.920 4.460 -0.000 0.000 0.335 91 C C -1.579 173.444 174.990 0.056 0.000 1.267 91 C CA -2.228 56.807 59.018 0.029 0.000 1.762 91 C CB 0.519 28.268 27.740 0.015 0.000 2.365 91 C HN 0.249 nan 8.230 nan 0.000 0.527 92 P HA -0.100 nan 4.420 nan 0.000 0.218 92 P C 1.238 178.567 177.300 0.049 0.000 1.146 92 P CA 1.906 65.030 63.100 0.041 0.000 0.813 92 P CB 0.067 31.783 31.700 0.026 0.000 0.778 93 T N -6.780 107.803 114.554 0.049 0.000 3.105 93 T HA 0.165 4.515 4.350 -0.000 0.000 0.253 93 T C 0.397 175.168 174.700 0.118 0.000 1.047 93 T CA -0.288 61.843 62.100 0.052 0.000 0.944 93 T CB -1.030 67.851 68.868 0.022 0.000 1.016 93 T HN 0.064 nan 8.240 nan 0.000 0.544 94 H N -0.138 118.928 119.070 -0.007 0.000 2.713 94 H HA -0.115 4.440 4.556 -0.000 0.000 0.311 94 H C -0.513 174.822 175.328 0.011 0.000 1.175 94 H CA -0.166 55.881 56.048 -0.002 0.000 1.143 94 H CB -2.357 27.396 29.762 -0.014 0.000 1.434 94 H HN 0.404 nan 8.280 nan 0.000 0.418 95 L N 1.013 122.230 121.223 -0.009 0.000 2.490 95 L HA 0.039 4.379 4.340 -0.000 0.000 0.274 95 L C 0.994 177.844 176.870 -0.033 0.000 1.201 95 L CA 0.805 55.651 54.840 0.011 0.000 0.869 95 L CB 0.326 42.429 42.059 0.074 0.000 1.123 95 L HN 0.384 nan 8.230 nan 0.000 0.484 96 D N 3.810 124.216 120.400 0.009 0.000 2.545 96 D HA 0.043 4.683 4.640 -0.000 0.000 0.227 96 D C 1.298 177.608 176.300 0.016 0.000 1.150 96 D CA 0.240 54.224 54.000 -0.026 0.000 1.046 96 D CB 0.122 40.920 40.800 -0.004 0.000 1.098 96 D HN 0.419 nan 8.370 nan 0.000 0.502 97 I N 1.906 122.436 120.570 -0.067 0.000 2.208 97 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 97 I C 2.469 178.317 176.117 -0.449 0.000 1.097 97 I CA 0.927 62.036 61.300 -0.317 0.000 1.363 97 I CB -0.152 37.707 38.000 -0.235 0.000 1.051 97 I HN 0.319 nan 8.210 nan 0.000 0.413 98 K N 1.038 121.297 120.400 -0.235 0.000 2.032 98 K HA -0.204 4.116 4.320 -0.000 0.000 0.209 98 K C 2.233 178.737 176.600 -0.159 0.000 1.048 98 K CA 2.121 58.297 56.287 -0.183 0.000 0.927 98 K CB -0.059 32.376 32.500 -0.110 0.000 0.712 98 K HN 0.169 nan 8.250 nan 0.000 0.441 99 S N 0.637 116.276 115.700 -0.101 0.000 2.355 99 S HA -0.110 4.360 4.470 -0.000 0.000 0.222 99 S C 1.632 176.243 174.600 0.017 0.000 1.031 99 S CA 1.356 59.532 58.200 -0.040 0.000 0.993 99 S CB -0.464 62.730 63.200 -0.009 0.000 0.859 99 S HN 0.561 nan 8.310 nan 0.000 0.453 100 F N 1.908 121.840 119.950 -0.030 0.000 2.234 100 F HA 0.110 4.637 4.527 -0.000 0.000 0.299 100 F C 1.705 177.523 175.800 0.031 0.000 1.087 100 F CA 0.715 58.709 58.000 -0.010 0.000 1.340 100 F CB -0.777 38.209 39.000 -0.024 0.000 1.031 100 F HN 0.109 nan 8.300 nan 0.000 0.500 101 I N 0.488 120.801 120.570 -0.429 0.000 2.353 101 I HA -0.213 3.957 4.170 -0.000 0.000 0.248 101 I C 2.256 178.352 176.117 -0.035 0.000 1.119 101 I CA 1.486 62.637 61.300 -0.248 0.000 1.417 101 I CB -0.895 36.856 38.000 -0.416 0.000 1.078 101 I HN 0.219 nan 8.210 nan 0.000 0.421 102 T N 0.223 114.747 114.554 -0.049 0.000 2.746 102 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 102 T C 2.137 176.871 174.700 0.057 0.000 1.039 102 T CA 1.805 63.906 62.100 0.002 0.000 1.142 102 T CB -0.153 68.703 68.868 -0.021 0.000 0.866 102 T HN 0.272 nan 8.240 nan 0.000 0.444 103 S N 1.010 116.757 115.700 0.080 0.000 2.383 103 S HA -0.015 4.455 4.470 -0.000 0.000 0.229 103 S C 2.028 176.725 174.600 0.162 0.000 1.030 103 S CA 0.891 59.156 58.200 0.108 0.000 1.002 103 S CB -0.419 62.852 63.200 0.118 0.000 0.829 103 S HN 0.432 nan 8.310 nan 0.000 0.467 104 I N 1.883 122.603 120.570 0.251 0.000 2.179 104 I HA -0.184 3.986 4.170 -0.000 0.000 0.242 104 I C 2.676 178.953 176.117 0.267 0.000 1.088 104 I CA 1.423 62.952 61.300 0.381 0.000 1.357 104 I CB -0.606 37.638 38.000 0.407 0.000 1.051 104 I HN 0.378 nan 8.210 nan 0.000 0.409 105 S N 0.839 116.635 115.700 0.159 0.000 2.442 105 S HA -0.132 4.338 4.470 -0.000 0.000 0.236 105 S C 1.495 176.154 174.600 0.099 0.000 1.007 105 S CA 1.163 59.429 58.200 0.111 0.000 0.965 105 S CB -0.439 62.804 63.200 0.071 0.000 0.773 105 S HN 0.412 nan 8.310 nan 0.000 0.504 106 N N 1.372 120.127 118.700 0.092 0.000 2.322 106 N HA 0.221 4.961 4.740 -0.000 0.000 0.194 106 N C -0.136 175.374 175.510 -0.001 0.000 1.126 106 N CA 0.126 53.220 53.050 0.072 0.000 0.845 106 N CB -0.081 38.475 38.487 0.115 0.000 0.976 106 N HN 0.509 nan 8.380 nan 0.000 0.475 107 K N -0.531 119.832 120.400 -0.062 0.000 3.341 107 K HA -0.199 4.121 4.320 -0.000 0.000 0.305 107 K C -0.297 175.924 176.600 -0.631 0.000 1.270 107 K CA 0.431 56.480 56.287 -0.397 0.000 0.897 107 K CB -1.486 30.903 32.500 -0.186 0.000 1.264 107 K HN 0.133 nan 8.250 nan 0.000 0.468 108 N N 0.776 119.307 118.700 -0.281 0.000 3.083 108 N HA 0.158 4.898 4.740 -0.000 0.000 0.260 108 N C 0.448 175.973 175.510 0.025 0.000 1.163 108 N CA -0.249 52.739 53.050 -0.102 0.000 1.060 108 N CB -0.010 38.501 38.487 0.041 0.000 1.345 108 N HN 0.195 nan 8.380 nan 0.000 0.515 109 Y N 0.157 120.590 120.300 0.223 0.000 2.274 109 Y HA -0.243 4.307 4.550 -0.000 0.000 0.290 109 Y C 1.649 177.652 175.900 0.171 0.000 1.145 109 Y CA 0.696 58.913 58.100 0.195 0.000 1.203 109 Y CB -0.235 38.332 38.460 0.177 0.000 0.984 109 Y HN 0.469 nan 8.280 nan 0.000 0.533 110 Y N 0.902 121.350 120.300 0.246 0.000 2.114 110 Y HA -0.164 4.386 4.550 -0.000 0.000 0.284 110 Y C 2.460 178.392 175.900 0.053 0.000 1.143 110 Y CA 1.409 59.611 58.100 0.171 0.000 1.135 110 Y CB -0.927 37.631 38.460 0.163 0.000 0.980 110 Y HN 0.026 nan 8.280 nan 0.000 0.499 111 G N 0.003 108.759 108.800 -0.073 0.000 2.442 111 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.219 111 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.219 111 G C 1.810 176.620 174.900 -0.150 0.000 1.141 111 G CA 1.264 46.263 45.100 -0.170 0.000 0.763 111 G HN 0.671 nan 8.290 nan 0.000 0.554 112 A N 1.229 124.046 122.820 -0.005 0.000 1.858 112 A HA 0.256 4.576 4.320 -0.000 0.000 0.216 112 A C 2.861 180.375 177.584 -0.117 0.000 1.190 112 A CA 2.417 54.498 52.037 0.073 0.000 0.617 112 A CB -0.941 18.207 19.000 0.248 0.000 0.827 112 A HN 0.849 nan 8.150 nan 0.000 0.443 113 A N -0.225 122.482 122.820 -0.189 0.000 1.902 113 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 113 A C 2.148 179.458 177.584 -0.456 0.000 1.181 113 A CA 2.093 53.947 52.037 -0.304 0.000 0.623 113 A CB -0.501 18.258 19.000 -0.401 0.000 0.818 113 A HN 0.586 nan 8.150 nan 0.000 0.443 114 K N -1.258 118.775 120.400 -0.612 0.000 2.063 114 K HA -0.213 4.107 4.320 -0.000 0.000 0.208 114 K C 2.035 178.474 176.600 -0.269 0.000 1.048 114 K CA 1.991 57.984 56.287 -0.490 0.000 0.928 114 K CB -0.255 31.862 32.500 -0.637 0.000 0.713 114 K HN 0.364 nan 8.250 nan 0.000 0.442 115 M N 1.187 120.660 119.600 -0.211 0.000 2.117 115 M HA -0.075 4.405 4.480 -0.000 0.000 0.262 115 M C 1.683 177.909 176.300 -0.125 0.000 1.065 115 M CA 1.453 56.689 55.300 -0.107 0.000 1.114 115 M CB -0.121 32.474 32.600 -0.008 0.000 1.361 115 M HN 0.228 nan 8.290 nan 0.000 0.408 116 I N -0.986 119.452 120.570 -0.222 0.000 2.142 116 I HA -0.290 3.879 4.170 -0.000 0.000 0.240 116 I C 1.801 177.689 176.117 -0.381 0.000 1.078 116 I CA 1.369 62.462 61.300 -0.344 0.000 1.343 116 I CB -0.522 37.160 38.000 -0.531 0.000 1.046 116 I HN 0.155 nan 8.210 nan 0.000 0.405 117 F N 0.677 120.308 119.950 -0.531 0.000 2.365 117 F HA -0.147 4.380 4.527 -0.000 0.000 0.300 117 F C 2.697 178.241 175.800 -0.426 0.000 1.090 117 F CA 0.962 58.560 58.000 -0.670 0.000 1.408 117 F CB -0.617 37.506 39.000 -1.462 0.000 1.060 117 F HN -0.043 nan 8.300 nan 0.000 0.534 118 S N -0.654 114.978 115.700 -0.113 0.000 2.382 118 S HA -0.178 4.292 4.470 -0.000 0.000 0.228 118 S C 1.550 176.218 174.600 0.114 0.000 1.027 118 S CA 1.532 59.752 58.200 0.032 0.000 0.991 118 S CB -0.173 63.026 63.200 -0.002 0.000 0.823 118 S HN 0.390 nan 8.310 nan 0.000 0.469 119 D N 0.041 120.473 120.400 0.055 0.000 2.417 119 D HA 0.134 4.774 4.640 -0.000 0.000 0.207 119 D C 0.084 176.454 176.300 0.117 0.000 1.075 119 D CA 0.243 54.323 54.000 0.134 0.000 0.851 119 D CB 0.227 41.068 40.800 0.068 0.000 0.976 119 D HN 0.154 nan 8.370 nan 0.000 0.505 120 N N 0.513 119.174 118.700 -0.064 0.000 2.581 120 N HA 0.162 4.902 4.740 -0.000 0.000 0.279 120 N C -2.406 172.874 175.510 -0.383 0.000 1.124 120 N CA -1.528 51.425 53.050 -0.162 0.000 0.833 120 N CB 2.175 40.515 38.487 -0.245 0.000 1.338 120 N HN -0.303 nan 8.380 nan 0.000 0.533 121 P HA 0.007 nan 4.420 nan 0.000 0.225 121 P C 0.263 177.413 177.300 -0.249 0.000 1.148 121 P CA 0.826 63.804 63.100 -0.203 0.000 0.779 121 P CB 0.365 31.983 31.700 -0.137 0.000 0.780 122 L N -1.371 119.669 121.223 -0.305 0.000 3.108 122 L HA 0.368 4.708 4.340 -0.000 0.000 0.251 122 L C 1.864 178.497 176.870 -0.395 0.000 1.315 122 L CA 0.039 54.735 54.840 -0.240 0.000 1.048 122 L CB -0.707 41.286 42.059 -0.108 0.000 1.432 122 L HN -0.100 nan 8.230 nan 0.000 0.543 123 G N -0.013 108.230 108.800 -0.928 0.000 2.469 123 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.219 123 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.219 123 G C 1.460 176.136 174.900 -0.374 0.000 1.150 123 G CA 0.924 45.499 45.100 -0.876 0.000 0.763 123 G HN 0.376 nan 8.290 nan 0.000 0.561 124 L N 0.809 121.970 121.223 -0.103 0.000 2.027 124 L HA 0.052 4.392 4.340 -0.000 0.000 0.206 124 L C 2.924 179.801 176.870 0.011 0.000 1.074 124 L CA 2.554 57.437 54.840 0.071 0.000 0.745 124 L CB -1.140 41.088 42.059 0.281 0.000 0.898 124 L HN 0.189 nan 8.230 nan 0.000 0.433 125 T N -1.008 113.550 114.554 0.007 0.000 2.652 125 T HA -0.242 4.108 4.350 -0.000 0.000 0.267 125 T C 1.986 176.667 174.700 -0.032 0.000 1.039 125 T CA 1.905 63.999 62.100 -0.009 0.000 1.153 125 T CB -0.746 68.114 68.868 -0.014 0.000 0.863 125 T HN 0.491 nan 8.240 nan 0.000 0.428 126 C N 1.282 120.541 119.300 -0.068 0.000 2.425 126 C HA 0.064 4.524 4.460 -0.000 0.000 0.277 126 C C 3.071 178.033 174.990 -0.045 0.000 1.280 126 C CA 0.265 59.246 59.018 -0.062 0.000 1.744 126 C CB -1.600 26.084 27.740 -0.092 0.000 1.989 126 C HN 0.744 nan 8.230 nan 0.000 0.491 127 G N 0.217 108.982 108.800 -0.058 0.000 2.442 127 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.219 127 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.219 127 G C 1.605 176.508 174.900 0.005 0.000 1.141 127 G CA 0.770 45.854 45.100 -0.026 0.000 0.763 127 G HN 0.511 nan 8.290 nan 0.000 0.554 128 M N 0.164 119.765 119.600 0.002 0.000 2.236 128 M HA 0.053 4.533 4.480 -0.000 0.000 0.266 128 M C 2.464 178.769 176.300 0.008 0.000 1.070 128 M CA 1.124 56.431 55.300 0.013 0.000 1.137 128 M CB 0.172 32.779 32.600 0.013 0.000 1.378 128 M HN 0.253 nan 8.290 nan 0.000 0.426 129 V N -4.106 115.806 119.914 -0.002 0.000 3.645 129 V HA 0.195 4.315 4.120 -0.000 0.000 0.275 129 V C 0.805 176.896 176.094 -0.005 0.000 1.356 129 V CA -0.643 61.654 62.300 -0.005 0.000 1.051 129 V CB -0.783 31.034 31.823 -0.011 0.000 0.828 129 V HN 0.281 nan 8.190 nan 0.000 0.441 130 C N 4.511 123.807 119.300 -0.006 0.000 2.596 130 C HA 0.246 4.706 4.460 -0.000 0.000 0.414 130 C C -1.247 173.742 174.990 -0.002 0.000 1.396 130 C CA -0.055 58.961 59.018 -0.004 0.000 1.698 130 C CB 0.009 27.747 27.740 -0.003 0.000 2.572 130 C HN 0.542 nan 8.230 nan 0.000 0.604 131 P HA 0.083 nan 4.420 nan 0.000 0.225 131 P C 1.039 178.334 177.300 -0.008 0.000 1.813 131 P CA 0.302 63.395 63.100 -0.011 0.000 1.013 131 P CB -0.106 31.584 31.700 -0.017 0.000 1.961 132 T N -1.064 113.491 114.554 0.001 0.000 2.721 132 T HA -0.247 4.103 4.350 -0.000 0.000 0.268 132 T C 1.844 176.542 174.700 -0.004 0.000 1.038 132 T CA 2.035 64.138 62.100 0.005 0.000 1.145 132 T CB -1.230 67.650 68.868 0.020 0.000 0.858 132 T HN 0.323 nan 8.240 nan 0.000 0.459 133 S N 1.138 116.834 115.700 -0.007 0.000 2.469 133 S HA -0.132 4.338 4.470 -0.000 0.000 0.238 133 S C 1.588 176.165 174.600 -0.038 0.000 0.998 133 S CA 1.394 59.582 58.200 -0.020 0.000 0.957 133 S CB -0.541 62.651 63.200 -0.014 0.000 0.764 133 S HN 0.634 nan 8.310 nan 0.000 0.514 134 D N -0.420 119.962 120.400 -0.030 0.000 2.398 134 D HA 0.378 5.018 4.640 -0.000 0.000 0.210 134 D C 0.766 177.051 176.300 -0.025 0.000 1.094 134 D CA 0.032 54.013 54.000 -0.033 0.000 0.839 134 D CB 0.234 41.016 40.800 -0.029 0.000 0.963 134 D HN 0.428 nan 8.370 nan 0.000 0.506 135 L N -1.047 120.164 121.223 -0.019 0.000 2.786 135 L HA 0.220 4.560 4.340 -0.000 0.000 0.221 135 L C 2.366 179.229 176.870 -0.012 0.000 1.721 135 L CA -0.223 54.611 54.840 -0.011 0.000 2.738 135 L CB -0.740 41.317 42.059 -0.002 0.000 2.544 135 L HN 0.073 nan 8.230 nan 0.000 0.746 136 C N -0.162 119.137 119.300 -0.002 0.000 2.393 136 C HA -0.108 4.352 4.460 -0.000 0.000 0.276 136 C C 2.425 177.410 174.990 -0.009 0.000 1.215 136 C CA 0.521 59.537 59.018 -0.003 0.000 1.743 136 C CB -1.290 26.457 27.740 0.012 0.000 2.044 136 C HN 0.478 nan 8.230 nan 0.000 0.464 137 V N 2.233 122.147 119.914 -0.000 0.000 2.594 137 V HA -0.025 4.095 4.120 -0.000 0.000 0.253 137 V C 2.967 179.047 176.094 -0.023 0.000 1.069 137 V CA 2.202 64.504 62.300 0.004 0.000 1.082 137 V CB -1.631 30.204 31.823 0.021 0.000 0.680 137 V HN 0.794 nan 8.190 nan 0.000 0.469 138 G N -0.051 108.719 108.800 -0.050 0.000 2.471 138 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.219 138 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.219 138 G C 1.313 176.139 174.900 -0.123 0.000 1.125 138 G CA 0.804 45.839 45.100 -0.108 0.000 0.775 138 G HN 0.626 nan 8.290 nan 0.000 0.548 139 G N -1.086 107.674 108.800 -0.066 0.000 3.277 139 G HA2 0.190 4.150 3.960 -0.000 0.000 0.243 139 G HA3 0.190 4.150 3.960 -0.000 0.000 0.243 139 G C 0.399 175.285 174.900 -0.024 0.000 1.107 139 G CA 0.030 45.099 45.100 -0.051 0.000 0.771 139 G HN 0.388 nan 8.290 nan 0.000 0.544 140 C N 1.601 120.896 119.300 -0.007 0.000 2.648 140 C HA 0.172 4.632 4.460 -0.000 0.000 0.415 140 C C 1.875 176.900 174.990 0.058 0.000 1.366 140 C CA -0.538 58.492 59.018 0.021 0.000 1.756 140 C CB -0.464 27.297 27.740 0.035 0.000 2.549 140 C HN 0.472 nan 8.230 nan 0.000 0.597 141 N N 3.321 122.044 118.700 0.037 0.000 2.205 141 N HA -0.116 4.624 4.740 -0.000 0.000 0.186 141 N C 1.437 176.987 175.510 0.067 0.000 1.015 141 N CA 1.336 54.416 53.050 0.048 0.000 0.862 141 N CB -0.159 38.341 38.487 0.022 0.000 0.986 141 N HN 0.777 nan 8.380 nan 0.000 0.429 142 L N 0.110 121.367 121.223 0.057 0.000 2.633 142 L HA -0.120 4.219 4.340 -0.000 0.000 0.235 142 L C 1.867 178.772 176.870 0.059 0.000 1.163 142 L CA 0.286 55.151 54.840 0.042 0.000 0.859 142 L CB -0.406 41.667 42.059 0.023 0.000 0.973 142 L HN 0.155 nan 8.230 nan 0.000 0.451 143 Y N 0.749 121.042 120.300 -0.011 0.000 2.421 143 Y HA -0.133 4.417 4.550 -0.000 0.000 0.292 143 Y C 2.199 178.093 175.900 -0.009 0.000 1.136 143 Y CA 0.875 58.970 58.100 -0.009 0.000 1.255 143 Y CB 0.057 38.513 38.460 -0.007 0.000 0.991 143 Y HN 0.128 nan 8.280 nan 0.000 0.552 144 A N 0.120 122.968 122.820 0.047 0.000 2.291 144 A HA 0.184 4.504 4.320 -0.000 0.000 0.220 144 A C 0.736 178.280 177.584 -0.066 0.000 1.262 144 A CA 0.659 52.690 52.037 -0.010 0.000 0.867 144 A CB -1.214 17.809 19.000 0.039 0.000 0.888 144 A HN 0.386 nan 8.150 nan 0.000 0.487 145 T N -4.959 109.536 114.554 -0.099 0.000 2.924 145 T HA 0.530 4.880 4.350 -0.000 0.000 0.291 145 T C 0.371 174.996 174.700 -0.126 0.000 1.045 145 T CA -0.454 61.593 62.100 -0.087 0.000 1.015 145 T CB 1.432 70.269 68.868 -0.051 0.000 1.103 145 T HN 0.096 nan 8.240 nan 0.000 0.496 146 E N 0.612 120.753 120.200 -0.098 0.000 2.110 146 E HA -0.135 4.215 4.350 -0.000 0.000 0.193 146 E C 2.089 178.634 176.600 -0.091 0.000 0.988 146 E CA 1.399 57.739 56.400 -0.100 0.000 0.804 146 E CB -0.033 29.624 29.700 -0.072 0.000 0.745 146 E HN 0.838 nan 8.360 nan 0.000 0.458 147 E N 0.589 120.749 120.200 -0.067 0.000 2.347 147 E HA -0.025 4.325 4.350 -0.000 0.000 0.196 147 E C 1.093 177.662 176.600 -0.053 0.000 1.008 147 E CA 0.857 57.227 56.400 -0.050 0.000 0.852 147 E CB -0.332 29.349 29.700 -0.031 0.000 0.783 147 E HN 0.123 nan 8.360 nan 0.000 0.505 148 G N 0.752 109.504 108.800 -0.079 0.000 2.796 148 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.571 148 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.571 148 G C -0.338 174.563 174.900 0.002 0.000 1.370 148 G CA -0.178 44.879 45.100 -0.071 0.000 0.856 148 G HN 0.267 nan 8.290 nan 0.000 0.538 149 S N -0.211 115.532 115.700 0.071 0.000 2.576 149 S HA 0.381 4.851 4.470 -0.000 0.000 0.272 149 S C 1.156 175.787 174.600 0.050 0.000 1.352 149 S CA -0.371 57.885 58.200 0.094 0.000 1.021 149 S CB 0.444 63.737 63.200 0.155 0.000 0.887 149 S HN 0.590 nan 8.310 nan 0.000 0.542 150 I N 2.945 123.535 120.570 0.034 0.000 2.529 150 I HA 0.055 4.225 4.170 -0.000 0.000 0.284 150 I C 0.849 176.984 176.117 0.029 0.000 1.082 150 I CA -0.210 61.100 61.300 0.017 0.000 1.406 150 I CB 0.110 38.105 38.000 -0.008 0.000 1.405 150 I HN 0.554 nan 8.210 nan 0.000 0.548 151 N N 6.832 125.551 118.700 0.032 0.000 2.819 151 N HA 0.103 4.843 4.740 -0.000 0.000 0.284 151 N C 1.035 176.585 175.510 0.066 0.000 1.196 151 N CA 0.113 53.192 53.050 0.048 0.000 1.114 151 N CB -0.074 38.440 38.487 0.045 0.000 1.437 151 N HN 0.500 nan 8.380 nan 0.000 0.518 152 I N 0.351 120.962 120.570 0.067 0.000 2.179 152 I HA -0.192 3.978 4.170 -0.000 0.000 0.242 152 I C 2.272 178.495 176.117 0.177 0.000 1.088 152 I CA 1.230 62.597 61.300 0.112 0.000 1.357 152 I CB -0.364 37.685 38.000 0.082 0.000 1.051 152 I HN 0.494 nan 8.210 nan 0.000 0.409 153 G N 0.648 109.515 108.800 0.113 0.000 2.459 153 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.217 153 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.217 153 G C 1.732 176.692 174.900 0.099 0.000 1.183 153 G CA 0.894 46.049 45.100 0.091 0.000 0.776 153 G HN 0.496 nan 8.290 nan 0.000 0.552 154 G N 0.729 109.587 108.800 0.097 0.000 2.440 154 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.218 154 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.218 154 G C 1.827 176.813 174.900 0.143 0.000 1.154 154 G CA 0.803 45.963 45.100 0.100 0.000 0.767 154 G HN 0.426 nan 8.290 nan 0.000 0.552 155 L N -0.225 121.105 121.223 0.179 0.000 2.093 155 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 155 L C 2.967 180.026 176.870 0.316 0.000 1.085 155 L CA 1.445 56.448 54.840 0.272 0.000 0.755 155 L CB -0.373 41.866 42.059 0.300 0.000 0.904 155 L HN 0.336 nan 8.230 nan 0.000 0.435 156 Q N -0.018 119.919 119.800 0.229 0.000 2.119 156 Q HA -0.283 4.057 4.340 -0.000 0.000 0.201 156 Q C 2.233 178.197 176.000 -0.060 0.000 0.972 156 Q CA 1.716 57.455 55.803 -0.107 0.000 0.847 156 Q CB -0.024 28.632 28.738 -0.137 0.000 0.903 156 Q HN 0.477 nan 8.270 nan 0.000 0.433 157 Q N -0.571 119.249 119.800 0.033 0.000 2.050 157 Q HA -0.207 4.133 4.340 -0.000 0.000 0.202 157 Q C 1.884 177.905 176.000 0.035 0.000 0.980 157 Q CA 1.544 57.366 55.803 0.032 0.000 0.840 157 Q CB -0.267 28.505 28.738 0.055 0.000 0.898 157 Q HN 0.484 nan 8.270 nan 0.000 0.424 158 F N 0.861 120.786 119.950 -0.043 0.000 2.069 158 F HA -0.169 4.358 4.527 -0.000 0.000 0.298 158 F C 2.099 177.831 175.800 -0.112 0.000 1.113 158 F CA 1.756 59.700 58.000 -0.092 0.000 1.214 158 F CB -0.668 38.268 39.000 -0.107 0.000 0.978 158 F HN 0.168 nan 8.300 nan 0.000 0.474 159 A N -0.576 122.203 122.820 -0.068 0.000 1.908 159 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 159 A C 2.355 179.884 177.584 -0.090 0.000 1.181 159 A CA 2.125 54.102 52.037 -0.099 0.000 0.627 159 A CB -1.310 17.741 19.000 0.085 0.000 0.818 159 A HN 0.455 nan 8.150 nan 0.000 0.445 160 S N -0.423 115.256 115.700 -0.034 0.000 2.383 160 S HA -0.120 4.350 4.470 -0.000 0.000 0.227 160 S C 1.904 176.484 174.600 -0.034 0.000 1.026 160 S CA 1.179 59.448 58.200 0.115 0.000 0.981 160 S CB -0.257 63.070 63.200 0.211 0.000 0.818 160 S HN 0.589 nan 8.310 nan 0.000 0.472 161 E N 0.844 120.935 120.200 -0.182 0.000 2.051 161 E HA -0.088 4.262 4.350 -0.000 0.000 0.192 161 E C 2.276 178.697 176.600 -0.299 0.000 0.991 161 E CA 0.932 57.167 56.400 -0.275 0.000 0.799 161 E CB -0.396 29.142 29.700 -0.269 0.000 0.748 161 E HN 0.327 nan 8.360 nan 0.000 0.449 162 V N 1.423 121.105 119.914 -0.386 0.000 2.343 162 V HA -0.241 3.878 4.120 -0.000 0.000 0.247 162 V C 2.176 178.310 176.094 0.066 0.000 1.051 162 V CA 1.761 63.915 62.300 -0.243 0.000 1.036 162 V CB -0.631 30.952 31.823 -0.399 0.000 0.654 162 V HN 0.167 nan 8.190 nan 0.000 0.451 163 F N 1.581 121.496 119.950 -0.058 0.000 2.095 163 F HA -0.215 4.312 4.527 -0.000 0.000 0.298 163 F C 2.489 178.246 175.800 -0.071 0.000 1.104 163 F CA 2.344 60.357 58.000 0.022 0.000 1.232 163 F CB -0.456 38.539 39.000 -0.008 0.000 0.987 163 F HN 0.057 nan 8.300 nan 0.000 0.475 164 K N 0.397 120.516 120.400 -0.468 0.000 2.063 164 K HA -0.188 4.132 4.320 -0.000 0.000 0.208 164 K C 2.132 178.438 176.600 -0.489 0.000 1.048 164 K CA 1.455 57.223 56.287 -0.865 0.000 0.928 164 K CB -0.518 31.219 32.500 -1.272 0.000 0.713 164 K HN 0.320 nan 8.250 nan 0.000 0.442 165 A N 0.823 123.502 122.820 -0.235 0.000 2.067 165 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 165 A C 1.981 179.582 177.584 0.028 0.000 1.158 165 A CA 1.268 53.302 52.037 -0.004 0.000 0.661 165 A CB -0.395 18.733 19.000 0.213 0.000 0.801 165 A HN 0.386 nan 8.150 nan 0.000 0.452 166 M N -0.949 118.613 119.600 -0.062 0.000 2.394 166 M HA -0.028 4.452 4.480 -0.000 0.000 0.264 166 M C -0.038 176.061 176.300 -0.334 0.000 1.073 166 M CA 0.399 55.595 55.300 -0.173 0.000 1.111 166 M CB -0.267 32.293 32.600 -0.067 0.000 1.401 166 M HN 0.415 nan 8.290 nan 0.000 0.448 167 N N 1.973 120.370 118.700 -0.504 0.000 2.696 167 N HA -0.160 4.580 4.740 -0.000 0.000 0.256 167 N C -1.137 174.134 175.510 -0.398 0.000 1.031 167 N CA 0.726 53.411 53.050 -0.608 0.000 0.730 167 N CB -1.094 36.643 38.487 -1.249 0.000 0.894 167 N HN 0.379 nan 8.380 nan 0.000 0.544 168 I N 1.386 121.742 120.570 -0.357 0.000 2.377 168 I HA 0.366 4.536 4.170 -0.000 0.000 0.293 168 I C -1.721 174.343 176.117 -0.087 0.000 0.987 168 I CA -1.724 59.488 61.300 -0.147 0.000 1.185 168 I CB 1.922 39.889 38.000 -0.054 0.000 1.341 168 I HN -0.068 nan 8.210 nan 0.000 0.455 169 P HA 0.150 nan 4.420 nan 0.000 0.278 169 P C -1.353 175.944 177.300 -0.004 0.000 1.258 169 P CA -0.609 62.484 63.100 -0.011 0.000 0.811 169 P CB 1.149 32.833 31.700 -0.027 0.000 1.063 170 Q N 0.887 120.656 119.800 -0.052 0.000 2.260 170 Q HA 0.554 4.894 4.340 -0.000 0.000 0.242 170 Q C -0.403 175.493 176.000 -0.172 0.000 0.932 170 Q CA -0.653 55.014 55.803 -0.226 0.000 0.891 170 Q CB 0.557 29.159 28.738 -0.227 0.000 1.222 170 Q HN 0.486 nan 8.270 nan 0.000 0.453 171 I N -1.366 119.080 120.570 -0.205 0.000 3.074 171 I HA 0.575 4.745 4.170 -0.000 0.000 0.310 171 I C -0.774 175.266 176.117 -0.127 0.000 1.153 171 I CA -1.478 59.745 61.300 -0.128 0.000 0.993 171 I CB 1.984 39.926 38.000 -0.098 0.000 1.237 171 I HN 0.535 nan 8.210 nan 0.000 0.443 172 R N 1.693 122.123 120.500 -0.117 0.000 2.738 172 R HA 0.152 4.492 4.340 -0.000 0.000 0.268 172 R C 0.033 176.201 176.300 -0.219 0.000 1.062 172 R CA -0.704 55.319 56.100 -0.129 0.000 1.158 172 R CB 0.061 30.284 30.300 -0.128 0.000 1.046 172 R HN 0.615 nan 8.270 nan 0.000 0.493 173 N N 3.133 121.655 118.700 -0.296 0.000 2.411 173 N HA -0.040 4.700 4.740 -0.000 0.000 0.265 173 N C -1.553 173.677 175.510 -0.467 0.000 1.266 173 N CA -1.307 51.339 53.050 -0.673 0.000 0.889 173 N CB 0.687 38.866 38.487 -0.513 0.000 1.069 173 N HN 0.356 nan 8.380 nan 0.000 0.476 174 P HA -0.059 nan 4.420 nan 0.000 0.228 174 P C 0.644 177.817 177.300 -0.212 0.000 1.151 174 P CA 0.715 63.654 63.100 -0.268 0.000 0.770 174 P CB 0.097 31.672 31.700 -0.209 0.000 0.786 175 C N -1.039 118.112 119.300 -0.247 0.000 2.563 175 C HA 0.205 4.665 4.460 -0.000 0.000 0.268 175 C C 1.583 176.488 174.990 -0.142 0.000 1.365 175 C CA -0.414 58.509 59.018 -0.158 0.000 1.754 175 C CB -1.239 26.423 27.740 -0.130 0.000 1.932 175 C HN 0.157 nan 8.230 nan 0.000 0.536 176 L N 1.876 122.993 121.223 -0.176 0.000 2.483 176 L HA 0.169 4.509 4.340 -0.000 0.000 0.276 176 L C -1.846 174.932 176.870 -0.155 0.000 1.213 176 L CA -0.979 53.757 54.840 -0.172 0.000 0.843 176 L CB 0.061 41.998 42.059 -0.203 0.000 1.107 176 L HN 0.008 nan 8.230 nan 0.000 0.487 177 P HA 0.043 nan 4.420 nan 0.000 0.271 177 P C -0.713 176.507 177.300 -0.133 0.000 1.233 177 P CA -0.458 62.564 63.100 -0.130 0.000 0.789 177 P CB 0.517 32.138 31.700 -0.133 0.000 0.951 178 S N 0.419 116.058 115.700 -0.102 0.000 2.589 178 S HA -0.014 4.456 4.470 -0.000 0.000 0.265 178 S C 1.354 175.893 174.600 -0.101 0.000 1.342 178 S CA -0.177 57.968 58.200 -0.092 0.000 1.005 178 S CB 0.435 63.595 63.200 -0.067 0.000 0.909 178 S HN 0.411 nan 8.310 nan 0.000 0.555 179 Q N 1.146 120.892 119.800 -0.090 0.000 2.047 179 Q HA -0.227 4.113 4.340 -0.000 0.000 0.211 179 Q C 1.705 177.663 176.000 -0.070 0.000 1.005 179 Q CA 2.685 58.438 55.803 -0.083 0.000 0.866 179 Q CB -0.616 28.087 28.738 -0.059 0.000 0.938 179 Q HN 0.927 nan 8.270 nan 0.000 0.414 180 E N -0.287 119.881 120.200 -0.053 0.000 2.338 180 E HA -0.092 4.258 4.350 -0.000 0.000 0.197 180 E C 1.137 177.713 176.600 -0.041 0.000 1.007 180 E CA 0.869 57.246 56.400 -0.039 0.000 0.849 180 E CB 0.069 29.752 29.700 -0.029 0.000 0.774 180 E HN 0.293 nan 8.360 nan 0.000 0.506 181 K N -0.150 120.216 120.400 -0.057 0.000 2.374 181 K HA 0.159 4.479 4.320 -0.000 0.000 0.196 181 K C 0.224 176.780 176.600 -0.072 0.000 1.023 181 K CA 0.038 56.291 56.287 -0.056 0.000 1.103 181 K CB 0.289 32.753 32.500 -0.060 0.000 0.848 181 K HN 0.186 nan 8.250 nan 0.000 0.528 182 M N 2.125 121.666 119.600 -0.098 0.000 2.228 182 M HA 0.185 4.665 4.480 -0.000 0.000 0.351 182 M C -2.164 174.123 176.300 -0.021 0.000 1.233 182 M CA -2.390 52.826 55.300 -0.139 0.000 1.129 182 M CB -0.356 32.111 32.600 -0.221 0.000 1.604 182 M HN -0.202 nan 8.290 nan 0.000 0.457 183 P HA -0.020 nan 4.420 nan 0.000 0.269 183 P C 0.721 178.056 177.300 0.059 0.000 1.211 183 P CA 0.031 63.187 63.100 0.095 0.000 0.781 183 P CB 0.514 32.310 31.700 0.160 0.000 0.877 184 E N 1.811 122.006 120.200 -0.008 0.000 2.118 184 E HA -0.275 4.075 4.350 -0.000 0.000 0.195 184 E C 1.770 178.188 176.600 -0.304 0.000 0.992 184 E CA 1.402 57.772 56.400 -0.050 0.000 0.804 184 E CB -0.391 29.345 29.700 0.060 0.000 0.741 184 E HN 0.494 nan 8.360 nan 0.000 0.458 185 A N 0.196 122.627 122.820 -0.650 0.000 1.997 185 A HA -0.216 4.104 4.320 -0.000 0.000 0.221 185 A C 1.692 178.846 177.584 -0.717 0.000 1.172 185 A CA 1.584 52.826 52.037 -1.325 0.000 0.645 185 A CB -0.977 17.401 19.000 -1.036 0.000 0.813 185 A HN 0.490 nan 8.150 nan 0.000 0.454 186 Y N 0.669 120.746 120.300 -0.371 0.000 2.616 186 Y HA -0.051 4.499 4.550 -0.000 0.000 0.296 186 Y C 2.487 178.323 175.900 -0.106 0.000 1.154 186 Y CA 0.995 58.868 58.100 -0.379 0.000 1.325 186 Y CB -0.036 38.136 38.460 -0.480 0.000 1.007 186 Y HN 0.456 nan 8.280 nan 0.000 0.542 187 S N -0.958 114.751 115.700 0.015 0.000 2.556 187 S HA 0.407 4.877 4.470 -0.000 0.000 0.216 187 S C 0.943 175.598 174.600 0.092 0.000 0.970 187 S CA -0.254 57.985 58.200 0.065 0.000 0.912 187 S CB -0.300 62.922 63.200 0.037 0.000 0.790 187 S HN 0.195 nan 8.310 nan 0.000 0.504 188 A N 2.205 125.083 122.820 0.097 0.000 2.546 188 A HA 0.254 4.574 4.320 -0.000 0.000 0.243 188 A C 0.272 177.956 177.584 0.167 0.000 1.063 188 A CA -0.103 52.031 52.037 0.162 0.000 0.757 188 A CB -0.072 19.047 19.000 0.198 0.000 0.991 188 A HN 0.549 nan 8.150 nan 0.000 0.503 189 K N 1.977 122.442 120.400 0.109 0.000 2.412 189 K HA 0.321 4.641 4.320 -0.000 0.000 0.284 189 K C -0.712 176.069 176.600 0.303 0.000 1.046 189 K CA 0.652 56.987 56.287 0.080 0.000 0.999 189 K CB 0.347 32.673 32.500 -0.291 0.000 0.941 189 K HN 0.594 nan 8.250 nan 0.000 0.474 190 I N 2.232 123.019 120.570 0.361 0.000 2.474 190 I HA 0.401 4.571 4.170 -0.000 0.000 0.294 190 I C -0.349 176.028 176.117 0.433 0.000 1.005 190 I CA -0.845 60.676 61.300 0.369 0.000 1.113 190 I CB 2.002 40.096 38.000 0.158 0.000 1.289 190 I HN 0.583 nan 8.210 nan 0.000 0.436 191 A N 6.944 129.981 122.820 0.362 0.000 2.355 191 A HA 0.918 5.238 4.320 -0.000 0.000 0.317 191 A C -1.219 176.496 177.584 0.217 0.000 1.094 191 A CA -0.429 51.750 52.037 0.236 0.000 0.764 191 A CB 1.198 20.176 19.000 -0.038 0.000 1.230 191 A HN 0.564 nan 8.150 nan 0.000 0.448 192 L N 2.323 123.675 121.223 0.215 0.000 2.386 192 L HA 0.507 4.847 4.340 -0.000 0.000 0.271 192 L C -0.812 176.195 176.870 0.229 0.000 0.993 192 L CA -0.339 54.644 54.840 0.238 0.000 0.819 192 L CB 1.894 44.084 42.059 0.219 0.000 1.294 192 L HN 0.474 nan 8.230 nan 0.000 0.414 193 L N 2.937 124.267 121.223 0.178 0.000 2.287 193 L HA 0.777 5.117 4.340 -0.000 0.000 0.287 193 L C 0.486 177.423 176.870 0.111 0.000 1.022 193 L CA -0.140 54.780 54.840 0.134 0.000 0.814 193 L CB 0.601 42.685 42.059 0.043 0.000 1.217 193 L HN 0.789 nan 8.230 nan 0.000 0.420 194 G N 3.075 111.941 108.800 0.110 0.000 3.190 194 G HA2 0.059 4.019 3.960 -0.000 0.000 0.686 194 G HA3 0.059 4.019 3.960 -0.000 0.000 0.686 194 G C -0.080 174.882 174.900 0.103 0.000 1.033 194 G CA -0.325 44.829 45.100 0.090 0.000 0.797 194 G HN 0.979 nan 8.290 nan 0.000 0.567 195 A N 1.951 124.819 122.820 0.081 0.000 3.258 195 A HA 0.762 5.082 4.320 -0.000 0.000 0.275 195 A C 1.273 178.914 177.584 0.095 0.000 1.452 195 A CA 1.077 53.162 52.037 0.079 0.000 1.120 195 A CB -0.274 18.762 19.000 0.059 0.000 1.107 195 A HN 2.100 nan 8.150 nan 0.000 0.651 196 G N -0.358 108.506 108.800 0.107 0.000 2.613 196 G HA2 0.508 4.468 3.960 -0.000 0.000 0.303 196 G HA3 0.508 4.468 3.960 -0.000 0.000 0.303 196 G C -1.633 173.321 174.900 0.091 0.000 1.312 196 G CA -1.523 43.638 45.100 0.102 0.000 1.036 196 G HN 0.091 nan 8.290 nan 0.000 0.513 197 P HA -0.196 nan 4.420 nan 0.000 0.216 197 P C 2.133 179.477 177.300 0.074 0.000 1.157 197 P CA 2.570 65.705 63.100 0.058 0.000 0.880 197 P CB 0.152 31.881 31.700 0.048 0.000 0.791 198 A N -1.011 121.882 122.820 0.122 0.000 1.877 198 A HA -0.189 4.131 4.320 -0.000 0.000 0.216 198 A C 2.362 180.013 177.584 0.111 0.000 1.186 198 A CA 2.373 54.513 52.037 0.172 0.000 0.620 198 A CB -1.486 17.709 19.000 0.326 0.000 0.822 198 A HN 0.147 nan 8.150 nan 0.000 0.443 199 S N -0.356 115.465 115.700 0.202 0.000 2.387 199 S HA -0.018 4.452 4.470 -0.000 0.000 0.226 199 S C 1.787 176.394 174.600 0.011 0.000 1.026 199 S CA 1.195 59.471 58.200 0.128 0.000 0.972 199 S CB -0.441 62.897 63.200 0.230 0.000 0.814 199 S HN 0.520 nan 8.310 nan 0.000 0.477 200 I N 1.091 121.681 120.570 0.033 0.000 2.226 200 I HA -0.178 3.992 4.170 -0.000 0.000 0.245 200 I C 2.681 178.794 176.117 -0.008 0.000 1.100 200 I CA 1.090 62.395 61.300 0.008 0.000 1.374 200 I CB -0.386 37.622 38.000 0.013 0.000 1.057 200 I HN 0.295 nan 8.210 nan 0.000 0.413 201 S N -0.063 115.643 115.700 0.009 0.000 2.348 201 S HA -0.260 4.210 4.470 -0.000 0.000 0.221 201 S C 2.341 177.006 174.600 0.108 0.000 1.033 201 S CA 1.743 59.987 58.200 0.073 0.000 1.010 201 S CB -0.615 62.647 63.200 0.103 0.000 0.891 201 S HN 0.622 nan 8.310 nan 0.000 0.442 202 C N 1.672 120.919 119.300 -0.088 0.000 2.413 202 C HA 0.020 4.480 4.460 -0.000 0.000 0.276 202 C C 3.011 177.952 174.990 -0.083 0.000 1.236 202 C CA 1.345 60.235 59.018 -0.213 0.000 1.735 202 C CB -1.795 25.465 27.740 -0.800 0.000 2.031 202 C HN 0.686 nan 8.230 nan 0.000 0.474 203 A N -0.237 122.536 122.820 -0.078 0.000 1.933 203 A HA -0.097 4.223 4.320 -0.000 0.000 0.218 203 A C 2.353 179.937 177.584 -0.000 0.000 1.175 203 A CA 2.299 54.321 52.037 -0.024 0.000 0.628 203 A CB -0.924 18.068 19.000 -0.013 0.000 0.814 203 A HN 0.661 nan 8.150 nan 0.000 0.444 204 S N -0.719 114.964 115.700 -0.028 0.000 2.348 204 S HA -0.127 4.343 4.470 -0.000 0.000 0.221 204 S C 1.623 176.148 174.600 -0.124 0.000 1.033 204 S CA 1.611 59.750 58.200 -0.101 0.000 1.010 204 S CB -0.569 62.512 63.200 -0.199 0.000 0.891 204 S HN 0.572 nan 8.310 nan 0.000 0.442 205 F N 1.530 121.491 119.950 0.019 0.000 2.171 205 F HA -0.014 4.513 4.527 -0.000 0.000 0.300 205 F C 2.078 177.915 175.800 0.062 0.000 1.090 205 F CA 0.772 58.798 58.000 0.042 0.000 1.293 205 F CB -0.471 38.544 39.000 0.026 0.000 1.013 205 F HN 0.112 nan 8.300 nan 0.000 0.486 206 L N -0.515 120.827 121.223 0.197 0.000 2.042 206 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 206 L C 2.713 179.753 176.870 0.283 0.000 1.076 206 L CA 1.195 56.149 54.840 0.190 0.000 0.749 206 L CB -0.956 41.116 42.059 0.022 0.000 0.893 206 L HN 0.153 nan 8.230 nan 0.000 0.432 207 A N -0.119 122.794 122.820 0.156 0.000 1.930 207 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 207 A C 2.360 179.989 177.584 0.075 0.000 1.175 207 A CA 1.246 53.352 52.037 0.115 0.000 0.627 207 A CB -0.419 18.609 19.000 0.046 0.000 0.815 207 A HN 0.320 nan 8.150 nan 0.000 0.443 208 R N -0.616 119.923 120.500 0.065 0.000 2.096 208 R HA -0.010 4.330 4.340 -0.000 0.000 0.235 208 R C 1.783 178.116 176.300 0.055 0.000 1.127 208 R CA 1.289 57.419 56.100 0.050 0.000 0.968 208 R CB -0.475 29.868 30.300 0.071 0.000 0.861 208 R HN 0.491 nan 8.270 nan 0.000 0.440 209 L N -0.666 120.623 121.223 0.111 0.000 2.456 209 L HA -0.018 4.322 4.340 -0.000 0.000 0.224 209 L C 1.344 178.163 176.870 -0.084 0.000 1.148 209 L CA 0.995 55.867 54.840 0.053 0.000 0.825 209 L CB 0.000 42.119 42.059 0.099 0.000 0.937 209 L HN 0.565 nan 8.230 nan 0.000 0.450 210 G N -2.278 106.481 108.800 -0.068 0.000 2.192 210 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.193 210 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.193 210 G C -0.061 174.756 174.900 -0.139 0.000 0.999 210 G CA -0.701 44.256 45.100 -0.238 0.000 0.659 210 G HN 0.157 nan 8.290 nan 0.000 0.503 211 Y N 2.076 122.484 120.300 0.181 0.000 2.544 211 Y HA 0.343 4.893 4.550 -0.000 0.000 0.330 211 Y C 1.820 177.771 175.900 0.085 0.000 1.136 211 Y CA 0.832 59.037 58.100 0.174 0.000 1.417 211 Y CB 1.250 39.792 38.460 0.137 0.000 1.229 211 Y HN 0.251 nan 8.280 nan 0.000 0.532 212 S N -0.482 115.320 115.700 0.169 0.000 2.540 212 S HA 0.078 4.548 4.470 -0.000 0.000 0.218 212 S C 0.052 174.713 174.600 0.102 0.000 0.977 212 S CA -0.209 58.049 58.200 0.097 0.000 0.918 212 S CB 0.228 63.454 63.200 0.044 0.000 0.806 212 S HN 0.660 nan 8.310 nan 0.000 0.496 213 D N 1.463 121.950 120.400 0.145 0.000 2.513 213 D HA 0.418 5.058 4.640 -0.000 0.000 0.295 213 D C -1.135 175.255 176.300 0.150 0.000 1.202 213 D CA -0.276 53.797 54.000 0.123 0.000 0.849 213 D CB 0.241 41.105 40.800 0.107 0.000 1.116 213 D HN 0.342 nan 8.370 nan 0.000 0.502 214 I N 1.089 121.730 120.570 0.119 0.000 2.378 214 I HA 0.353 4.523 4.170 -0.000 0.000 0.291 214 I C -0.020 176.127 176.117 0.050 0.000 0.992 214 I CA -0.411 60.953 61.300 0.106 0.000 1.154 214 I CB 2.227 40.276 38.000 0.082 0.000 1.315 214 I HN -0.076 nan 8.210 nan 0.000 0.448 215 T N 6.625 121.198 114.554 0.033 0.000 2.881 215 T HA 0.585 4.935 4.350 -0.000 0.000 0.290 215 T C -0.323 174.198 174.700 -0.297 0.000 1.000 215 T CA -0.400 61.597 62.100 -0.171 0.000 0.978 215 T CB 1.598 70.315 68.868 -0.251 0.000 0.997 215 T HN 0.261 nan 8.240 nan 0.000 0.443 216 I N 3.161 123.531 120.570 -0.334 0.000 2.339 216 I HA 0.423 4.593 4.170 -0.000 0.000 0.290 216 I C -0.893 175.003 176.117 -0.367 0.000 0.994 216 I CA -0.760 60.410 61.300 -0.216 0.000 1.191 216 I CB 1.008 38.967 38.000 -0.068 0.000 1.343 216 I HN 0.544 nan 8.210 nan 0.000 0.458 217 F N 4.528 124.491 119.950 0.021 0.000 2.385 217 F HA 0.342 4.868 4.527 -0.000 0.000 0.360 217 F C 0.421 176.220 175.800 -0.002 0.000 1.122 217 F CA -0.619 57.383 58.000 0.004 0.000 1.090 217 F CB 1.083 40.072 39.000 -0.018 0.000 1.150 217 F HN 0.395 nan 8.300 nan 0.000 0.472 218 E N 3.621 123.892 120.200 0.118 0.000 2.158 218 E HA 0.224 4.574 4.350 -0.000 0.000 0.271 218 E C 0.699 177.305 176.600 0.010 0.000 0.911 218 E CA -0.594 55.833 56.400 0.044 0.000 0.767 218 E CB 1.520 31.217 29.700 -0.004 0.000 1.120 218 E HN 0.542 nan 8.360 nan 0.000 0.405 219 K N 3.150 123.540 120.400 -0.018 0.000 2.009 219 K HA -0.110 4.210 4.320 -0.000 0.000 0.210 219 K C 0.430 176.961 176.600 -0.115 0.000 1.049 219 K CA 1.094 57.354 56.287 -0.045 0.000 0.929 219 K CB 0.090 32.566 32.500 -0.039 0.000 0.714 219 K HN 0.553 nan 8.250 nan 0.000 0.440 220 Q N 0.373 120.026 119.800 -0.245 0.000 2.526 220 Q HA -0.060 4.280 4.340 -0.000 0.000 0.207 220 Q C 1.122 176.913 176.000 -0.347 0.000 1.078 220 Q CA 0.574 56.116 55.803 -0.435 0.000 1.041 220 Q CB 0.767 28.845 28.738 -1.101 0.000 1.228 220 Q HN 0.526 nan 8.270 nan 0.000 0.603 221 E N -0.521 119.482 120.200 -0.328 0.000 2.385 221 E HA -0.055 4.295 4.350 -0.000 0.000 0.194 221 E C -0.215 176.340 176.600 -0.076 0.000 1.013 221 E CA 0.236 56.558 56.400 -0.131 0.000 0.866 221 E CB -0.092 29.584 29.700 -0.039 0.000 0.832 221 E HN 0.485 nan 8.360 nan 0.000 0.500 222 Y N 0.401 120.704 120.300 0.005 0.000 2.453 222 Y HA 0.578 5.128 4.550 -0.000 0.000 0.326 222 Y C -0.086 175.843 175.900 0.049 0.000 1.186 222 Y CA -1.897 56.211 58.100 0.013 0.000 1.200 222 Y CB 0.812 39.251 38.460 -0.035 0.000 1.247 222 Y HN -0.114 nan 8.280 nan 0.000 0.482 223 V N -1.406 118.709 119.914 0.336 0.000 3.019 223 V HA 0.956 5.076 4.120 -0.000 0.000 0.317 223 V C 0.568 176.839 176.094 0.295 0.000 1.094 223 V CA -0.467 61.980 62.300 0.245 0.000 1.000 223 V CB 0.898 32.808 31.823 0.144 0.000 1.060 223 V HN 1.694 nan 8.190 nan 0.000 0.443 224 G N -0.503 108.416 108.800 0.197 0.000 2.201 224 G HA2 0.244 4.204 3.960 -0.000 0.000 0.212 224 G HA3 0.244 4.204 3.960 -0.000 0.000 0.212 224 G C 1.490 176.477 174.900 0.146 0.000 0.994 224 G CA 0.485 45.677 45.100 0.152 0.000 0.644 224 G HN 2.816 nan 8.290 nan 0.000 0.508 225 G N 0.079 109.000 108.800 0.201 0.000 2.566 225 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.280 225 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.280 225 G C 1.143 176.119 174.900 0.127 0.000 1.225 225 G CA 0.609 45.814 45.100 0.175 0.000 0.966 225 G HN 1.210 nan 8.290 nan 0.000 0.560 226 L N 0.725 121.994 121.223 0.078 0.000 2.261 226 L HA -0.085 4.255 4.340 -0.000 0.000 0.216 226 L C 3.131 180.001 176.870 -0.000 0.000 1.114 226 L CA 1.799 56.657 54.840 0.030 0.000 0.777 226 L CB -0.520 41.554 42.059 0.025 0.000 0.910 226 L HN 0.524 nan 8.230 nan 0.000 0.440 227 S N -1.055 114.656 115.700 0.019 0.000 2.419 227 S HA -0.140 4.330 4.470 -0.000 0.000 0.233 227 S C 1.923 176.524 174.600 0.003 0.000 1.016 227 S CA 1.689 59.892 58.200 0.006 0.000 0.974 227 S CB -0.116 63.096 63.200 0.019 0.000 0.786 227 S HN 0.485 nan 8.310 nan 0.000 0.492 228 T N 1.194 115.755 114.554 0.010 0.000 2.988 228 T HA 0.022 4.372 4.350 -0.000 0.000 0.240 228 T C 2.278 176.839 174.700 -0.231 0.000 1.014 228 T CA 1.017 63.103 62.100 -0.023 0.000 1.155 228 T CB -0.275 68.622 68.868 0.048 0.000 0.872 228 T HN 0.564 nan 8.240 nan 0.000 0.440 229 S N 1.211 116.744 115.700 -0.278 0.000 2.461 229 S HA 0.075 4.545 4.470 -0.000 0.000 0.228 229 S C 1.547 176.019 174.600 -0.213 0.000 1.005 229 S CA 0.797 58.785 58.200 -0.353 0.000 0.942 229 S CB -0.107 62.953 63.200 -0.233 0.000 0.776 229 S HN 0.542 nan 8.310 nan 0.000 0.514 230 E N -0.183 119.930 120.200 -0.144 0.000 2.502 230 E HA 0.354 4.704 4.350 -0.000 0.000 0.206 230 E C -0.231 176.287 176.600 -0.137 0.000 0.821 230 E CA -0.241 56.082 56.400 -0.129 0.000 1.354 230 E CB 0.406 30.063 29.700 -0.071 0.000 1.336 230 E HN 0.420 nan 8.360 nan 0.000 0.675 231 I N 4.792 125.291 120.570 -0.117 0.000 2.662 231 I HA 0.033 4.203 4.170 -0.000 0.000 0.285 231 I C -2.267 173.715 176.117 -0.225 0.000 1.161 231 I CA -1.675 59.544 61.300 -0.135 0.000 1.415 231 I CB 0.007 37.954 38.000 -0.090 0.000 1.385 231 I HN -0.213 nan 8.210 nan 0.000 0.552 232 P HA -0.091 nan 4.420 nan 0.000 0.265 232 P C 0.264 177.258 177.300 -0.509 0.000 1.187 232 P CA 0.006 62.713 63.100 -0.655 0.000 0.766 232 P CB 0.542 31.332 31.700 -1.517 0.000 0.820 233 Q N 3.292 122.900 119.800 -0.321 0.000 2.234 233 Q HA -0.169 4.171 4.340 -0.000 0.000 0.206 233 Q C 1.165 177.181 176.000 0.027 0.000 0.980 233 Q CA 1.876 57.621 55.803 -0.097 0.000 0.869 233 Q CB -0.906 27.794 28.738 -0.064 0.000 0.912 233 Q HN 0.585 nan 8.270 nan 0.000 0.436 234 F N -2.017 118.040 119.950 0.179 0.000 2.802 234 F HA 0.340 4.867 4.527 -0.000 0.000 0.300 234 F C 1.376 177.211 175.800 0.058 0.000 1.168 234 F CA 0.035 58.106 58.000 0.118 0.000 1.433 234 F CB -0.016 39.032 39.000 0.080 0.000 1.115 234 F HN -0.030 nan 8.300 nan 0.000 0.582 235 R N -0.214 120.292 120.500 0.010 0.000 2.350 235 R HA 0.351 4.691 4.340 -0.000 0.000 0.199 235 R C -0.638 175.664 176.300 0.002 0.000 0.876 235 R CA -0.079 56.042 56.100 0.034 0.000 1.062 235 R CB 0.434 30.717 30.300 -0.029 0.000 1.263 235 R HN 0.230 nan 8.270 nan 0.000 0.641 236 L N 2.567 123.766 121.223 -0.041 0.000 2.485 236 L HA 0.483 4.823 4.340 -0.000 0.000 0.260 236 L C -2.916 173.949 176.870 -0.009 0.000 0.998 236 L CA -2.157 52.671 54.840 -0.020 0.000 0.883 236 L CB 1.717 43.757 42.059 -0.032 0.000 1.196 236 L HN -0.191 nan 8.230 nan 0.000 0.443 237 P HA 0.016 nan 4.420 nan 0.000 0.265 237 P C -0.026 177.291 177.300 0.030 0.000 1.193 237 P CA 0.166 63.285 63.100 0.030 0.000 0.765 237 P CB 0.296 32.012 31.700 0.027 0.000 0.823 238 Y N 3.745 124.016 120.300 -0.048 0.000 2.256 238 Y HA -0.289 4.261 4.550 -0.000 0.000 0.288 238 Y C 1.939 177.838 175.900 -0.002 0.000 1.155 238 Y CA 1.947 60.021 58.100 -0.044 0.000 1.203 238 Y CB -0.570 37.845 38.460 -0.075 0.000 0.980 238 Y HN 0.345 nan 8.280 nan 0.000 0.530 239 D N -0.399 119.934 120.400 -0.111 0.000 2.190 239 D HA -0.173 4.467 4.640 -0.000 0.000 0.200 239 D C 2.105 178.330 176.300 -0.125 0.000 0.992 239 D CA 1.404 55.328 54.000 -0.126 0.000 0.854 239 D CB -0.171 40.617 40.800 -0.021 0.000 0.936 239 D HN 0.308 nan 8.370 nan 0.000 0.462 240 V N -0.242 119.619 119.914 -0.087 0.000 2.307 240 V HA -0.198 3.922 4.120 -0.000 0.000 0.245 240 V C 2.747 178.859 176.094 0.029 0.000 1.045 240 V CA 1.255 63.567 62.300 0.021 0.000 1.024 240 V CB -0.338 31.499 31.823 0.023 0.000 0.651 240 V HN 0.107 nan 8.190 nan 0.000 0.449 241 V N 0.821 120.645 119.914 -0.149 0.000 2.332 241 V HA -0.311 3.809 4.120 -0.000 0.000 0.248 241 V C 2.350 178.315 176.094 -0.215 0.000 1.055 241 V CA 2.454 64.646 62.300 -0.180 0.000 1.038 241 V CB -0.983 30.691 31.823 -0.248 0.000 0.651 241 V HN 0.698 nan 8.190 nan 0.000 0.450 242 N N -0.199 118.264 118.700 -0.394 0.000 2.166 242 N HA -0.227 4.513 4.740 -0.000 0.000 0.186 242 N C 2.021 177.497 175.510 -0.058 0.000 1.019 242 N CA 1.795 54.698 53.050 -0.245 0.000 0.856 242 N CB -0.142 38.176 38.487 -0.282 0.000 0.993 242 N HN 0.500 nan 8.380 nan 0.000 0.426 243 F N 2.092 121.957 119.950 -0.143 0.000 2.102 243 F HA -0.086 4.441 4.527 -0.000 0.000 0.298 243 F C 2.077 177.858 175.800 -0.030 0.000 1.105 243 F CA 1.508 59.456 58.000 -0.086 0.000 1.239 243 F CB -0.482 38.471 39.000 -0.077 0.000 0.991 243 F HN 0.056 nan 8.300 nan 0.000 0.474 244 E N 0.183 120.179 120.200 -0.340 0.000 2.152 244 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 244 E C 2.333 178.809 176.600 -0.208 0.000 0.983 244 E CA 0.999 57.181 56.400 -0.364 0.000 0.818 244 E CB -0.091 29.555 29.700 -0.091 0.000 0.758 244 E HN 0.382 nan 8.360 nan 0.000 0.467 245 I N 1.544 122.034 120.570 -0.132 0.000 2.252 245 I HA -0.194 3.976 4.170 -0.000 0.000 0.245 245 I C 2.183 178.249 176.117 -0.084 0.000 1.102 245 I CA 1.255 62.508 61.300 -0.077 0.000 1.385 245 I CB -0.848 37.128 38.000 -0.040 0.000 1.064 245 I HN 0.087 nan 8.210 nan 0.000 0.414 246 E N 0.715 120.853 120.200 -0.102 0.000 2.150 246 E HA -0.123 4.227 4.350 -0.000 0.000 0.193 246 E C 2.436 178.972 176.600 -0.106 0.000 0.985 246 E CA 0.691 57.041 56.400 -0.083 0.000 0.814 246 E CB -0.240 29.425 29.700 -0.059 0.000 0.752 246 E HN 0.467 nan 8.360 nan 0.000 0.466 247 L N 0.362 121.472 121.223 -0.187 0.000 2.046 247 L HA -0.141 4.199 4.340 -0.000 0.000 0.208 247 L C 2.680 179.516 176.870 -0.057 0.000 1.077 247 L CA 1.099 55.856 54.840 -0.138 0.000 0.747 247 L CB -0.340 41.585 42.059 -0.224 0.000 0.896 247 L HN 0.197 nan 8.230 nan 0.000 0.432 248 M N -0.108 119.454 119.600 -0.064 0.000 2.132 248 M HA -0.235 4.245 4.480 -0.000 0.000 0.263 248 M C 2.142 178.421 176.300 -0.035 0.000 1.065 248 M CA 1.775 57.051 55.300 -0.040 0.000 1.122 248 M CB -0.052 32.523 32.600 -0.041 0.000 1.365 248 M HN 0.044 nan 8.290 nan 0.000 0.411 249 K N 0.162 120.539 120.400 -0.039 0.000 2.280 249 K HA -0.147 4.173 4.320 -0.000 0.000 0.202 249 K C 1.261 177.844 176.600 -0.029 0.000 1.047 249 K CA 1.218 57.487 56.287 -0.029 0.000 0.942 249 K CB -0.230 32.254 32.500 -0.026 0.000 0.739 249 K HN 0.434 nan 8.250 nan 0.000 0.457 250 D N 0.925 121.303 120.400 -0.037 0.000 2.263 250 D HA -0.121 4.519 4.640 -0.000 0.000 0.208 250 D C 1.340 177.617 176.300 -0.039 0.000 0.971 250 D CA 0.960 54.937 54.000 -0.039 0.000 0.867 250 D CB 0.103 40.874 40.800 -0.048 0.000 0.929 250 D HN 0.216 nan 8.370 nan 0.000 0.492 251 L N -0.874 120.328 121.223 -0.035 0.000 2.611 251 L HA 0.220 4.560 4.340 -0.000 0.000 0.229 251 L C 1.530 178.392 176.870 -0.014 0.000 1.137 251 L CA 0.246 55.067 54.840 -0.031 0.000 0.901 251 L CB 0.127 42.169 42.059 -0.029 0.000 1.098 251 L HN 0.081 nan 8.230 nan 0.000 0.456 252 G N -0.244 108.548 108.800 -0.012 0.000 2.195 252 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.246 252 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.246 252 G C 0.371 175.274 174.900 0.004 0.000 0.984 252 G CA -0.004 45.095 45.100 -0.002 0.000 0.633 252 G HN 0.083 nan 8.290 nan 0.000 0.525 253 V N 1.499 121.414 119.914 0.001 0.000 2.617 253 V HA 0.259 4.379 4.120 -0.000 0.000 0.304 253 V C 0.894 176.978 176.094 -0.016 0.000 1.040 253 V CA 0.778 63.077 62.300 -0.001 0.000 1.149 253 V CB 1.015 32.834 31.823 -0.007 0.000 0.914 253 V HN 0.393 nan 8.190 nan 0.000 0.487 254 K N 5.364 125.747 120.400 -0.029 0.000 2.138 254 K HA 0.712 5.032 4.320 -0.000 0.000 0.263 254 K C -0.869 175.671 176.600 -0.100 0.000 0.965 254 K CA -0.517 55.738 56.287 -0.053 0.000 0.868 254 K CB 1.883 34.353 32.500 -0.050 0.000 1.083 254 K HN 0.501 nan 8.250 nan 0.000 0.443 255 I N 3.746 124.263 120.570 -0.088 0.000 2.466 255 I HA 0.386 4.556 4.170 -0.000 0.000 0.289 255 I C -0.698 175.361 176.117 -0.096 0.000 1.026 255 I CA -0.725 60.512 61.300 -0.104 0.000 1.078 255 I CB 1.579 39.552 38.000 -0.045 0.000 1.249 255 I HN 0.407 nan 8.210 nan 0.000 0.429 256 I N 5.290 125.777 120.570 -0.138 0.000 2.411 256 I HA 0.349 4.519 4.170 -0.000 0.000 0.284 256 I C -0.256 175.876 176.117 0.025 0.000 1.012 256 I CA -0.370 60.906 61.300 -0.041 0.000 1.119 256 I CB 1.591 39.585 38.000 -0.010 0.000 1.261 256 I HN 0.575 nan 8.210 nan 0.000 0.448 257 C N 3.413 122.727 119.300 0.024 0.000 2.403 257 C HA 0.629 5.089 4.460 -0.000 0.000 0.361 257 C C 1.577 176.586 174.990 0.031 0.000 1.274 257 C CA 0.564 59.590 59.018 0.014 0.000 2.433 257 C CB 0.758 28.489 27.740 -0.015 0.000 2.323 257 C HN 1.101 nan 8.230 nan 0.000 0.614 258 G N 1.093 109.896 108.800 0.004 0.000 2.148 258 G HA2 -0.171 3.788 3.960 -0.000 0.000 0.254 258 G HA3 -0.171 3.788 3.960 -0.000 0.000 0.254 258 G C -0.304 174.618 174.900 0.036 0.000 0.981 258 G CA 0.070 45.176 45.100 0.010 0.000 0.670 258 G HN 0.603 nan 8.290 nan 0.000 0.528 259 K N 0.868 121.310 120.400 0.070 0.000 2.358 259 K HA 0.662 4.982 4.320 -0.000 0.000 0.260 259 K C -0.388 176.244 176.600 0.054 0.000 0.956 259 K CA -0.375 55.962 56.287 0.084 0.000 0.834 259 K CB 1.838 34.472 32.500 0.223 0.000 1.102 259 K HN 0.141 nan 8.250 nan 0.000 0.431 260 S N 1.723 117.425 115.700 0.003 0.000 2.578 260 S HA 0.450 4.920 4.470 -0.000 0.000 0.301 260 S C -0.672 173.906 174.600 -0.037 0.000 1.091 260 S CA -0.815 57.380 58.200 -0.007 0.000 1.032 260 S CB 1.471 64.665 63.200 -0.010 0.000 1.064 260 S HN 0.463 nan 8.310 nan 0.000 0.508 261 L N 2.765 123.972 121.223 -0.027 0.000 2.260 261 L HA 0.743 5.083 4.340 -0.000 0.000 0.289 261 L C -0.223 176.632 176.870 -0.026 0.000 1.057 261 L CA 0.749 55.564 54.840 -0.042 0.000 0.811 261 L CB 0.463 42.503 42.059 -0.032 0.000 1.184 261 L HN 0.664 nan 8.230 nan 0.000 0.429 262 S N 3.142 118.824 115.700 -0.030 0.000 2.614 262 S HA 0.200 4.670 4.470 -0.000 0.000 0.280 262 S C -1.201 173.387 174.600 -0.020 0.000 1.111 262 S CA -0.849 57.340 58.200 -0.019 0.000 0.847 262 S CB 0.617 63.809 63.200 -0.014 0.000 1.079 262 S HN 0.808 nan 8.310 nan 0.000 0.452 263 E N 2.208 122.400 120.200 -0.015 0.000 2.529 263 E HA 0.033 4.383 4.350 -0.000 0.000 0.259 263 E C 0.037 176.629 176.600 -0.013 0.000 0.966 263 E CA 0.612 57.005 56.400 -0.013 0.000 0.937 263 E CB 0.046 29.738 29.700 -0.013 0.000 0.923 263 E HN 0.626 nan 8.360 nan 0.000 0.468 264 N N 2.665 121.357 118.700 -0.013 0.000 2.782 264 N HA -0.180 4.560 4.740 -0.000 0.000 0.251 264 N C -0.531 174.969 175.510 -0.017 0.000 1.101 264 N CA 1.540 54.582 53.050 -0.012 0.000 0.764 264 N CB -0.766 37.716 38.487 -0.009 0.000 1.122 264 N HN 0.671 nan 8.380 nan 0.000 0.561 265 E N -0.454 119.730 120.200 -0.027 0.000 4.452 265 E HA 0.446 4.796 4.350 -0.000 0.000 0.189 265 E C -0.103 176.458 176.600 -0.066 0.000 1.163 265 E CA -0.635 55.741 56.400 -0.040 0.000 0.841 265 E CB 0.713 30.391 29.700 -0.037 0.000 2.367 265 E HN 0.004 nan 8.360 nan 0.000 0.483 266 I N 2.176 122.690 120.570 -0.094 0.000 2.359 266 I HA 0.268 4.438 4.170 -0.000 0.000 0.294 266 I C -0.110 175.951 176.117 -0.092 0.000 0.987 266 I CA -0.191 61.023 61.300 -0.145 0.000 1.225 266 I CB 1.531 39.374 38.000 -0.262 0.000 1.366 266 I HN 0.445 nan 8.210 nan 0.000 0.466 267 T N 2.513 117.028 114.554 -0.065 0.000 2.865 267 T HA 0.477 4.826 4.350 -0.000 0.000 0.294 267 T C 0.842 175.559 174.700 0.029 0.000 1.119 267 T CA -0.879 61.211 62.100 -0.017 0.000 1.007 267 T CB 1.415 70.288 68.868 0.008 0.000 1.225 267 T HN 0.396 nan 8.240 nan 0.000 0.515 268 L N 0.758 122.022 121.223 0.067 0.000 2.083 268 L HA -0.074 4.266 4.340 -0.000 0.000 0.209 268 L C 2.581 179.645 176.870 0.324 0.000 1.083 268 L CA 1.112 56.070 54.840 0.197 0.000 0.752 268 L CB -0.622 41.507 42.059 0.117 0.000 0.899 268 L HN 0.661 nan 8.230 nan 0.000 0.433 269 N N -0.260 118.548 118.700 0.179 0.000 2.142 269 N HA -0.148 4.592 4.740 -0.000 0.000 0.186 269 N C 1.997 177.565 175.510 0.096 0.000 1.023 269 N CA 2.094 55.224 53.050 0.133 0.000 0.852 269 N CB -0.503 38.032 38.487 0.080 0.000 0.998 269 N HN 0.444 nan 8.380 nan 0.000 0.424 270 T N -0.253 114.343 114.554 0.070 0.000 2.821 270 T HA -0.005 4.345 4.350 -0.000 0.000 0.267 270 T C 2.225 176.978 174.700 0.089 0.000 1.046 270 T CA 0.659 62.789 62.100 0.049 0.000 1.139 270 T CB -0.545 68.325 68.868 0.004 0.000 0.871 270 T HN 0.066 nan 8.240 nan 0.000 0.454 271 L N 0.701 121.992 121.223 0.113 0.000 2.056 271 L HA 0.010 4.350 4.340 -0.000 0.000 0.207 271 L C 3.009 180.045 176.870 0.277 0.000 1.078 271 L CA 1.707 56.665 54.840 0.197 0.000 0.749 271 L CB -0.496 41.653 42.059 0.149 0.000 0.901 271 L HN 0.295 nan 8.230 nan 0.000 0.433 272 K N 0.618 121.095 120.400 0.129 0.000 2.057 272 K HA -0.215 4.105 4.320 -0.000 0.000 0.207 272 K C 1.877 178.444 176.600 -0.055 0.000 1.049 272 K CA 1.596 57.792 56.287 -0.153 0.000 0.931 272 K CB 0.026 32.365 32.500 -0.268 0.000 0.714 272 K HN 0.263 nan 8.250 nan 0.000 0.440 273 E N 0.190 120.398 120.200 0.013 0.000 2.268 273 E HA -0.130 4.220 4.350 -0.000 0.000 0.195 273 E C 1.298 177.917 176.600 0.033 0.000 0.995 273 E CA 0.894 57.300 56.400 0.011 0.000 0.836 273 E CB 0.197 29.910 29.700 0.021 0.000 0.763 273 E HN 0.401 nan 8.360 nan 0.000 0.491 274 E N -0.860 119.399 120.200 0.098 0.000 2.489 274 E HA 0.029 4.379 4.350 -0.000 0.000 0.193 274 E C 0.957 177.560 176.600 0.004 0.000 1.057 274 E CA 0.346 56.809 56.400 0.105 0.000 0.866 274 E CB 0.598 30.450 29.700 0.253 0.000 0.916 274 E HN 0.363 nan 8.360 nan 0.000 0.500 275 G N 0.764 109.563 108.800 -0.003 0.000 2.179 275 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.220 275 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.220 275 G C -0.154 174.693 174.900 -0.088 0.000 0.990 275 G CA -0.430 44.621 45.100 -0.081 0.000 0.646 275 G HN 0.216 nan 8.290 nan 0.000 0.517 276 Y N 1.467 121.798 120.300 0.052 0.000 2.620 276 Y HA 0.323 4.873 4.550 -0.000 0.000 0.330 276 Y C 1.822 177.779 175.900 0.095 0.000 1.186 276 Y CA 0.510 58.691 58.100 0.134 0.000 1.467 276 Y CB 0.748 39.352 38.460 0.241 0.000 1.262 276 Y HN -0.060 nan 8.280 nan 0.000 0.550 277 K N 2.080 122.665 120.400 0.309 0.000 2.323 277 K HA 0.356 4.676 4.320 -0.000 0.000 0.197 277 K C 0.190 177.131 176.600 0.569 0.000 1.043 277 K CA 0.532 57.007 56.287 0.313 0.000 0.997 277 K CB 0.356 33.037 32.500 0.301 0.000 0.807 277 K HN 0.588 nan 8.250 nan 0.000 0.497 278 A N 0.317 123.507 122.820 0.617 0.000 2.594 278 A HA 0.757 5.077 4.320 -0.000 0.000 0.295 278 A C -1.642 176.235 177.584 0.488 0.000 1.071 278 A CA -0.437 51.970 52.037 0.617 0.000 0.685 278 A CB 1.746 20.983 19.000 0.395 0.000 1.285 278 A HN 0.055 nan 8.150 nan 0.000 0.405 279 A N 0.530 123.525 122.820 0.291 0.000 2.455 279 A HA 0.765 5.084 4.320 -0.000 0.000 0.300 279 A C -1.519 176.146 177.584 0.134 0.000 1.040 279 A CA -0.366 51.754 52.037 0.138 0.000 0.697 279 A CB 0.978 19.934 19.000 -0.074 0.000 1.265 279 A HN 1.741 nan 8.150 nan 0.000 0.407 280 F N 3.833 123.800 119.950 0.027 0.000 2.467 280 F HA 0.659 5.186 4.527 -0.000 0.000 0.336 280 F C -0.810 174.997 175.800 0.011 0.000 1.123 280 F CA -1.247 56.774 58.000 0.034 0.000 0.964 280 F CB 1.127 40.143 39.000 0.028 0.000 1.136 280 F HN 0.375 nan 8.300 nan 0.000 0.447 281 I N 5.763 125.838 120.570 -0.825 0.000 2.297 281 I HA 0.332 4.502 4.170 -0.000 0.000 0.291 281 I C 0.688 176.363 176.117 -0.736 0.000 1.033 281 I CA -0.470 60.483 61.300 -0.579 0.000 1.253 281 I CB 0.452 38.207 38.000 -0.408 0.000 1.396 281 I HN 0.851 nan 8.210 nan 0.000 0.476 282 G N 6.379 115.002 108.800 -0.295 0.000 4.904 282 G HA2 0.341 4.301 3.960 -0.000 0.000 0.265 282 G HA3 0.341 4.301 3.960 -0.000 0.000 0.265 282 G C 0.741 175.657 174.900 0.027 0.000 1.227 282 G CA -0.201 44.868 45.100 -0.051 0.000 0.926 282 G HN 0.693 nan 8.290 nan 0.000 0.581 283 I N -2.046 118.512 120.570 -0.019 0.000 3.684 283 I HA 0.428 4.598 4.170 -0.000 0.000 0.304 283 I C 1.235 177.368 176.117 0.027 0.000 1.278 283 I CA 0.301 61.610 61.300 0.015 0.000 1.272 283 I CB -0.107 37.895 38.000 0.003 0.000 1.029 283 I HN 0.337 nan 8.210 nan 0.000 0.458 284 G N 2.807 111.620 108.800 0.022 0.000 2.575 284 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.267 284 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.267 284 G C -0.334 174.585 174.900 0.032 0.000 1.264 284 G CA 0.163 45.282 45.100 0.033 0.000 0.935 284 G HN 0.367 nan 8.290 nan 0.000 0.568 285 L N 2.328 123.574 121.223 0.038 0.000 2.435 285 L HA 0.318 4.658 4.340 -0.000 0.000 0.253 285 L C -0.996 175.901 176.870 0.045 0.000 1.087 285 L CA -1.398 53.468 54.840 0.042 0.000 0.950 285 L CB 1.752 43.834 42.059 0.038 0.000 1.304 285 L HN 0.487 nan 8.230 nan 0.000 0.453 286 P HA -0.127 nan 4.420 nan 0.000 0.223 286 P C 0.077 177.405 177.300 0.048 0.000 1.144 286 P CA 1.074 64.202 63.100 0.048 0.000 0.783 286 P CB 0.528 32.254 31.700 0.042 0.000 0.771 287 E N 0.990 121.220 120.200 0.049 0.000 2.227 287 E HA 0.367 4.717 4.350 -0.000 0.000 0.268 287 E C -2.489 174.144 176.600 0.054 0.000 0.907 287 E CA -2.883 53.548 56.400 0.051 0.000 0.786 287 E CB 1.474 31.205 29.700 0.051 0.000 1.191 287 E HN 0.130 nan 8.360 nan 0.000 0.411 288 P HA 0.012 nan 4.420 nan 0.000 0.275 288 P C -0.971 176.378 177.300 0.082 0.000 1.227 288 P CA -0.278 62.855 63.100 0.055 0.000 0.781 288 P CB 0.770 32.492 31.700 0.037 0.000 0.906 289 K N 2.422 122.886 120.400 0.106 0.000 2.316 289 K HA 0.210 4.530 4.320 -0.000 0.000 0.289 289 K C 0.374 177.100 176.600 0.210 0.000 1.070 289 K CA -0.211 56.168 56.287 0.153 0.000 0.928 289 K CB 0.143 32.751 32.500 0.179 0.000 1.039 289 K HN 0.516 nan 8.250 nan 0.000 0.480 290 T N 0.402 115.076 114.554 0.200 0.000 2.884 290 T HA 0.356 4.706 4.350 -0.000 0.000 0.277 290 T C -0.459 174.434 174.700 0.321 0.000 0.976 290 T CA -0.869 61.381 62.100 0.249 0.000 0.956 290 T CB 1.523 70.501 68.868 0.183 0.000 1.113 290 T HN 0.566 nan 8.240 nan 0.000 0.554 291 D N -1.241 119.383 120.400 0.372 0.000 2.859 291 D HA 0.222 4.862 4.640 -0.000 0.000 0.223 291 D C -0.008 176.338 176.300 0.076 0.000 1.218 291 D CA -0.401 53.761 54.000 0.269 0.000 0.850 291 D CB 2.551 43.613 40.800 0.436 0.000 1.656 291 D HN 0.487 nan 8.370 nan 0.000 0.484 292 D N 1.665 122.050 120.400 -0.025 0.000 2.204 292 D HA -0.219 4.421 4.640 -0.000 0.000 0.189 292 D C 1.945 178.115 176.300 -0.217 0.000 1.006 292 D CA 2.573 56.515 54.000 -0.097 0.000 0.855 292 D CB -0.255 40.486 40.800 -0.098 0.000 0.946 292 D HN 0.676 nan 8.370 nan 0.000 0.448 293 I N -2.547 117.787 120.570 -0.394 0.000 2.761 293 I HA -0.217 3.953 4.170 -0.000 0.000 0.266 293 I C 0.986 176.680 176.117 -0.705 0.000 1.239 293 I CA 1.245 62.194 61.300 -0.584 0.000 1.451 293 I CB -0.675 36.882 38.000 -0.740 0.000 1.096 293 I HN -0.050 nan 8.210 nan 0.000 0.465 294 F N 0.716 120.515 119.950 -0.251 0.000 2.653 294 F HA 0.317 4.844 4.527 -0.000 0.000 0.304 294 F C 1.266 176.803 175.800 -0.437 0.000 1.092 294 F CA -0.550 57.131 58.000 -0.532 0.000 1.279 294 F CB -0.039 38.490 39.000 -0.785 0.000 1.044 294 F HN 0.043 nan 8.300 nan 0.000 0.564 295 Q N 0.648 120.365 119.800 -0.138 0.000 2.300 295 Q HA 0.263 4.603 4.340 -0.000 0.000 0.280 295 Q C 1.327 177.264 176.000 -0.105 0.000 1.033 295 Q CA 1.236 56.983 55.803 -0.093 0.000 0.903 295 Q CB 0.696 29.390 28.738 -0.072 0.000 1.195 295 Q HN 0.609 nan 8.270 nan 0.000 0.386 296 G N 2.744 111.499 108.800 -0.075 0.000 2.284 296 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.247 296 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.247 296 G C 0.123 174.980 174.900 -0.073 0.000 1.012 296 G CA 0.064 45.127 45.100 -0.062 0.000 0.618 296 G HN 0.552 nan 8.290 nan 0.000 0.521 297 L N 2.374 123.513 121.223 -0.139 0.000 2.490 297 L HA 0.466 4.806 4.340 -0.000 0.000 0.274 297 L C 1.332 178.199 176.870 -0.007 0.000 1.201 297 L CA 0.769 55.524 54.840 -0.142 0.000 0.869 297 L CB 0.579 42.383 42.059 -0.426 0.000 1.123 297 L HN 0.536 nan 8.230 nan 0.000 0.484 298 T N -1.232 113.336 114.554 0.024 0.000 2.910 298 T HA 0.274 4.624 4.350 -0.000 0.000 0.287 298 T C 0.535 175.191 174.700 -0.073 0.000 1.050 298 T CA -0.818 61.286 62.100 0.007 0.000 1.011 298 T CB 1.665 70.520 68.868 -0.021 0.000 1.195 298 T HN 0.564 nan 8.240 nan 0.000 0.540 299 Q N -0.100 119.572 119.800 -0.213 0.000 2.119 299 Q HA -0.099 4.241 4.340 -0.000 0.000 0.201 299 Q C 1.616 177.481 176.000 -0.225 0.000 0.972 299 Q CA 1.513 57.028 55.803 -0.480 0.000 0.847 299 Q CB -0.107 28.346 28.738 -0.475 0.000 0.903 299 Q HN 0.654 nan 8.270 nan 0.000 0.433 300 D N 0.702 121.044 120.400 -0.097 0.000 2.182 300 D HA -0.183 4.457 4.640 -0.000 0.000 0.201 300 D C 1.621 177.914 176.300 -0.012 0.000 0.986 300 D CA 1.244 55.226 54.000 -0.031 0.000 0.847 300 D CB 0.022 40.813 40.800 -0.014 0.000 0.942 300 D HN 0.434 nan 8.370 nan 0.000 0.467 301 Q N -0.738 119.052 119.800 -0.017 0.000 2.389 301 Q HA 0.169 4.509 4.340 -0.000 0.000 0.204 301 Q C 1.222 177.241 176.000 0.032 0.000 0.944 301 Q CA 0.727 56.537 55.803 0.012 0.000 0.908 301 Q CB 0.741 29.489 28.738 0.016 0.000 1.002 301 Q HN 0.301 nan 8.270 nan 0.000 0.493 302 G N 0.860 109.661 108.800 0.003 0.000 2.148 302 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.157 302 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.157 302 G C -0.576 174.367 174.900 0.072 0.000 1.012 302 G CA -0.472 44.665 45.100 0.062 0.000 0.677 302 G HN 0.282 nan 8.290 nan 0.000 0.506 303 F N 1.436 121.262 119.950 -0.207 0.000 2.443 303 F HA 0.833 5.360 4.527 -0.000 0.000 0.335 303 F C -0.457 175.129 175.800 -0.358 0.000 1.104 303 F CA -1.325 56.564 58.000 -0.186 0.000 1.013 303 F CB 1.020 39.929 39.000 -0.152 0.000 1.136 303 F HN 0.057 nan 8.300 nan 0.000 0.470 304 Y N 1.379 120.873 120.300 -1.343 0.000 2.597 304 Y HA 0.491 5.041 4.550 -0.000 0.000 0.340 304 Y C -0.023 175.159 175.900 -1.197 0.000 1.097 304 Y CA -1.054 56.481 58.100 -0.943 0.000 1.037 304 Y CB 1.924 40.122 38.460 -0.436 0.000 1.305 304 Y HN 0.675 nan 8.280 nan 0.000 0.463 305 T N -3.083 111.201 114.554 -0.450 0.000 2.948 305 T HA 0.338 4.688 4.350 -0.000 0.000 0.285 305 T C 0.987 175.595 174.700 -0.154 0.000 1.019 305 T CA -0.112 61.773 62.100 -0.358 0.000 1.013 305 T CB 1.429 70.200 68.868 -0.162 0.000 1.117 305 T HN 0.719 nan 8.240 nan 0.000 0.533 306 S N 0.558 116.182 115.700 -0.126 0.000 2.383 306 S HA -0.126 4.344 4.470 -0.000 0.000 0.229 306 S C 1.745 176.352 174.600 0.012 0.000 1.030 306 S CA 0.450 58.635 58.200 -0.025 0.000 1.002 306 S CB -0.581 62.602 63.200 -0.029 0.000 0.829 306 S HN 0.642 nan 8.310 nan 0.000 0.467 307 K N 1.225 121.625 120.400 0.000 0.000 2.280 307 K HA -0.026 4.294 4.320 -0.000 0.000 0.202 307 K C 1.142 177.764 176.600 0.037 0.000 1.047 307 K CA 1.177 57.475 56.287 0.019 0.000 0.942 307 K CB -0.305 32.211 32.500 0.026 0.000 0.739 307 K HN 0.577 nan 8.250 nan 0.000 0.457 308 D N -0.614 119.824 120.400 0.063 0.000 2.369 308 D HA -0.061 4.579 4.640 -0.000 0.000 0.231 308 D C 1.733 178.141 176.300 0.180 0.000 0.967 308 D CA 0.350 54.425 54.000 0.125 0.000 0.905 308 D CB -0.294 40.600 40.800 0.155 0.000 1.044 308 D HN 0.023 nan 8.370 nan 0.000 0.487 309 F N 2.334 122.275 119.950 -0.016 0.000 2.039 309 F HA -0.068 4.458 4.527 -0.000 0.000 0.294 309 F C 2.258 177.967 175.800 -0.152 0.000 1.130 309 F CA 1.155 59.038 58.000 -0.195 0.000 1.189 309 F CB -0.662 38.109 39.000 -0.383 0.000 0.983 309 F HN -0.195 nan 8.300 nan 0.000 0.471 310 L N 0.221 121.278 121.223 -0.276 0.000 2.043 310 L HA -0.207 4.133 4.340 -0.000 0.000 0.212 310 L C -0.465 176.214 176.870 -0.318 0.000 1.075 310 L CA 1.662 56.281 54.840 -0.368 0.000 0.752 310 L CB -2.190 39.775 42.059 -0.155 0.000 0.891 310 L HN 0.162 nan 8.230 nan 0.000 0.432 311 P HA -0.156 nan 4.420 nan 0.000 0.218 311 P C 1.902 179.075 177.300 -0.213 0.000 1.149 311 P CA 1.238 64.224 63.100 -0.190 0.000 0.817 311 P CB 0.101 31.749 31.700 -0.087 0.000 0.785 312 L N -1.338 119.761 121.223 -0.206 0.000 2.027 312 L HA -0.137 4.203 4.340 -0.000 0.000 0.206 312 L C 2.282 178.997 176.870 -0.259 0.000 1.074 312 L CA 1.332 56.063 54.840 -0.182 0.000 0.745 312 L CB -1.050 40.942 42.059 -0.112 0.000 0.898 312 L HN -0.128 nan 8.230 nan 0.000 0.433 313 V N -0.028 119.653 119.914 -0.389 0.000 2.358 313 V HA -0.264 3.856 4.120 -0.000 0.000 0.246 313 V C 2.733 178.642 176.094 -0.309 0.000 1.047 313 V CA 1.708 63.809 62.300 -0.331 0.000 1.035 313 V CB -0.990 30.585 31.823 -0.413 0.000 0.658 313 V HN 0.464 nan 8.190 nan 0.000 0.452 314 A N 0.172 122.798 122.820 -0.324 0.000 1.858 314 A HA -0.242 4.078 4.320 -0.000 0.000 0.216 314 A C 2.290 179.653 177.584 -0.369 0.000 1.190 314 A CA 2.036 53.869 52.037 -0.339 0.000 0.617 314 A CB -0.493 18.311 19.000 -0.328 0.000 0.827 314 A HN 0.533 nan 8.150 nan 0.000 0.443 315 K N -0.373 119.826 120.400 -0.334 0.000 2.152 315 K HA -0.118 4.202 4.320 -0.000 0.000 0.206 315 K C 2.316 178.706 176.600 -0.351 0.000 1.048 315 K CA 1.423 57.520 56.287 -0.317 0.000 0.933 315 K CB -0.171 32.196 32.500 -0.221 0.000 0.721 315 K HN 0.466 nan 8.250 nan 0.000 0.447 316 S N 0.366 115.856 115.700 -0.351 0.000 2.425 316 S HA -0.052 4.418 4.470 -0.000 0.000 0.225 316 S C 1.812 176.114 174.600 -0.497 0.000 1.024 316 S CA 1.196 59.153 58.200 -0.405 0.000 0.951 316 S CB 0.058 63.106 63.200 -0.253 0.000 0.796 316 S HN 0.368 nan 8.310 nan 0.000 0.498 317 S N -0.075 115.278 115.700 -0.578 0.000 2.517 317 S HA 0.337 4.807 4.470 -0.000 0.000 0.214 317 S C 0.292 174.578 174.600 -0.523 0.000 0.991 317 S CA -0.426 57.293 58.200 -0.802 0.000 0.906 317 S CB -0.083 62.106 63.200 -1.684 0.000 0.789 317 S HN 0.323 nan 8.310 nan 0.000 0.513 318 K N 2.562 122.712 120.400 -0.416 0.000 2.354 318 K HA 0.581 4.901 4.320 -0.000 0.000 0.257 318 K C -0.669 175.748 176.600 -0.305 0.000 1.062 318 K CA -0.311 55.791 56.287 -0.308 0.000 0.971 318 K CB 1.348 33.648 32.500 -0.333 0.000 1.305 318 K HN 0.307 nan 8.250 nan 0.000 0.449 319 A N 1.750 124.466 122.820 -0.172 0.000 2.492 319 A HA 0.439 4.759 4.320 -0.000 0.000 0.254 319 A C 1.276 178.813 177.584 -0.078 0.000 1.091 319 A CA 0.936 52.909 52.037 -0.107 0.000 0.768 319 A CB -0.294 18.694 19.000 -0.021 0.000 1.028 319 A HN 0.972 nan 8.150 nan 0.000 0.498 320 G N 1.851 110.576 108.800 -0.124 0.000 2.259 320 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.217 320 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.217 320 G C 1.101 175.798 174.900 -0.337 0.000 1.001 320 G CA 0.729 45.789 45.100 -0.066 0.000 0.627 320 G HN 0.886 nan 8.290 nan 0.000 0.501 321 M N 0.271 119.428 119.600 -0.737 0.000 2.059 321 M HA 0.149 4.629 4.480 -0.000 0.000 0.259 321 M C 0.823 176.955 176.300 -0.280 0.000 1.072 321 M CA 2.076 56.899 55.300 -0.796 0.000 1.117 321 M CB -0.064 32.064 32.600 -0.786 0.000 1.320 321 M HN 0.389 nan 8.290 nan 0.000 0.408 322 C N -0.138 119.036 119.300 -0.210 0.000 2.561 322 C HA 0.639 5.099 4.460 -0.000 0.000 0.319 322 C C 1.661 176.617 174.990 -0.055 0.000 1.198 322 C CA -0.862 58.109 59.018 -0.079 0.000 1.665 322 C CB 1.218 28.921 27.740 -0.062 0.000 2.258 322 C HN 0.660 nan 8.230 nan 0.000 0.493 323 A N 0.563 123.376 122.820 -0.012 0.000 1.940 323 A HA -0.082 4.238 4.320 -0.000 0.000 0.219 323 A C 0.998 178.589 177.584 0.012 0.000 1.176 323 A CA 1.385 53.425 52.037 0.005 0.000 0.631 323 A CB -0.518 18.491 19.000 0.015 0.000 0.814 323 A HN 0.889 nan 8.150 nan 0.000 0.446 324 C N 0.390 119.695 119.300 0.009 0.000 2.527 324 C HA 0.368 4.828 4.460 -0.000 0.000 0.396 324 C C 0.476 175.482 174.990 0.027 0.000 1.289 324 C CA -0.554 58.480 59.018 0.027 0.000 2.047 324 C CB -0.402 27.351 27.740 0.021 0.000 2.568 324 C HN 0.543 nan 8.230 nan 0.000 0.573 325 H N 3.033 122.084 119.070 -0.033 0.000 2.787 325 H HA 0.283 4.839 4.556 -0.000 0.000 0.275 325 H C 0.097 175.403 175.328 -0.037 0.000 1.183 325 H CA 0.008 56.029 56.048 -0.045 0.000 1.290 325 H CB 0.584 30.324 29.762 -0.036 0.000 1.438 325 H HN 0.815 nan 8.280 nan 0.000 0.487 326 S N 4.843 120.514 115.700 -0.049 0.000 2.617 326 S HA 0.445 4.915 4.470 -0.000 0.000 0.269 326 S C -2.646 171.976 174.600 0.037 0.000 1.292 326 S CA -1.439 56.769 58.200 0.012 0.000 1.010 326 S CB 1.578 64.749 63.200 -0.049 0.000 0.944 326 S HN 0.458 nan 8.310 nan 0.000 0.536 327 P HA 0.306 nan 4.420 nan 0.000 0.276 327 P C -0.763 176.561 177.300 0.039 0.000 1.244 327 P CA -0.760 62.394 63.100 0.089 0.000 0.801 327 P CB 0.332 32.081 31.700 0.082 0.000 1.006 328 L N 4.645 125.904 121.223 0.060 0.000 2.367 328 L HA 0.332 4.672 4.340 -0.000 0.000 0.275 328 L C -2.172 174.740 176.870 0.070 0.000 1.129 328 L CA -1.954 52.918 54.840 0.053 0.000 0.839 328 L CB -0.484 41.641 42.059 0.110 0.000 1.133 328 L HN 0.294 nan 8.230 nan 0.000 0.453 329 P HA -0.040 nan 4.420 nan 0.000 0.260 329 P C -0.760 176.616 177.300 0.126 0.000 1.172 329 P CA 0.269 63.434 63.100 0.109 0.000 0.760 329 P CB 0.371 32.135 31.700 0.106 0.000 0.773 330 S N 4.816 120.593 115.700 0.127 0.000 2.700 330 S HA 0.202 4.672 4.470 -0.000 0.000 0.321 330 S C 0.030 174.698 174.600 0.114 0.000 1.161 330 S CA -0.506 57.759 58.200 0.108 0.000 1.078 330 S CB -1.061 62.196 63.200 0.094 0.000 1.302 330 S HN 0.166 nan 8.310 nan 0.000 0.540 331 I N 6.627 127.256 120.570 0.099 0.000 2.359 331 I HA 0.488 4.658 4.170 -0.000 0.000 0.284 331 I C 0.151 176.302 176.117 0.056 0.000 1.018 331 I CA -0.520 60.823 61.300 0.073 0.000 1.173 331 I CB 0.810 38.839 38.000 0.048 0.000 1.326 331 I HN 0.431 nan 8.210 nan 0.000 0.462 332 R N 3.675 124.208 120.500 0.055 0.000 2.750 332 R HA 0.802 5.142 4.340 -0.000 0.000 0.281 332 R C 0.274 176.603 176.300 0.049 0.000 0.972 332 R CA -0.469 55.659 56.100 0.048 0.000 0.912 332 R CB 2.130 32.458 30.300 0.048 0.000 1.187 332 R HN 0.843 nan 8.270 nan 0.000 0.464 333 G N 0.652 109.481 108.800 0.049 0.000 2.545 333 G HA2 -0.095 3.865 3.960 -0.000 0.000 0.216 333 G HA3 -0.095 3.865 3.960 -0.000 0.000 0.216 333 G C -0.926 174.021 174.900 0.079 0.000 1.314 333 G CA -0.378 44.759 45.100 0.061 0.000 0.906 333 G HN 0.776 nan 8.290 nan 0.000 0.563 334 A N -0.834 122.048 122.820 0.104 0.000 2.409 334 A HA 0.653 4.973 4.320 -0.000 0.000 0.262 334 A C 0.289 177.951 177.584 0.130 0.000 1.113 334 A CA 0.389 52.526 52.037 0.168 0.000 0.790 334 A CB 0.786 19.891 19.000 0.174 0.000 1.046 334 A HN 1.836 nan 8.150 nan 0.000 0.496 335 V N 4.289 124.294 119.914 0.152 0.000 2.495 335 V HA 0.416 4.536 4.120 -0.000 0.000 0.298 335 V C -0.135 176.031 176.094 0.120 0.000 1.031 335 V CA -0.277 62.061 62.300 0.063 0.000 0.871 335 V CB 1.518 33.317 31.823 -0.040 0.000 0.988 335 V HN 0.752 nan 8.190 nan 0.000 0.432 336 I N 4.485 125.088 120.570 0.055 0.000 2.406 336 I HA 0.455 4.625 4.170 -0.000 0.000 0.290 336 I C -0.738 175.370 176.117 -0.015 0.000 0.999 336 I CA -0.757 60.590 61.300 0.080 0.000 1.124 336 I CB 2.098 40.175 38.000 0.128 0.000 1.289 336 I HN 0.274 nan 8.210 nan 0.000 0.441 337 V N 7.519 127.410 119.914 -0.038 0.000 2.370 337 V HA 0.371 4.491 4.120 -0.000 0.000 0.283 337 V C 0.072 176.148 176.094 -0.031 0.000 1.023 337 V CA -0.545 61.685 62.300 -0.116 0.000 0.857 337 V CB 1.622 33.330 31.823 -0.191 0.000 0.985 337 V HN 0.472 nan 8.190 nan 0.000 0.443 338 L N 5.261 126.484 121.223 0.000 0.000 2.265 338 L HA 0.853 5.193 4.340 -0.000 0.000 0.288 338 L C 0.733 177.754 176.870 0.251 0.000 1.058 338 L CA 0.142 55.103 54.840 0.201 0.000 0.809 338 L CB 1.031 43.281 42.059 0.319 0.000 1.179 338 L HN 0.918 nan 8.230 nan 0.000 0.429 339 G N 2.403 111.352 108.800 0.248 0.000 2.484 339 G HA2 0.204 4.164 3.960 -0.000 0.000 0.685 339 G HA3 0.204 4.164 3.960 -0.000 0.000 0.685 339 G C -0.509 174.363 174.900 -0.047 0.000 1.294 339 G CA -0.269 44.929 45.100 0.163 0.000 0.879 339 G HN 0.801 nan 8.290 nan 0.000 0.646 340 A N 0.088 122.840 122.820 -0.112 0.000 2.610 340 A HA 0.783 5.103 4.320 -0.000 0.000 0.291 340 A C 1.212 178.771 177.584 -0.041 0.000 1.116 340 A CA 1.248 53.117 52.037 -0.281 0.000 0.963 340 A CB -0.059 18.613 19.000 -0.546 0.000 1.220 340 A HN 2.209 nan 8.150 nan 0.000 0.530 341 G N -0.962 107.828 108.800 -0.017 0.000 2.588 341 G HA2 0.333 4.293 3.960 -0.000 0.000 0.281 341 G HA3 0.333 4.293 3.960 -0.000 0.000 0.281 341 G C 0.161 175.184 174.900 0.205 0.000 1.236 341 G CA -0.079 45.062 45.100 0.069 0.000 0.969 341 G HN 0.152 nan 8.290 nan 0.000 0.504 342 D N -0.497 120.011 120.400 0.180 0.000 2.219 342 D HA -0.092 4.548 4.640 -0.000 0.000 0.205 342 D C 2.457 178.878 176.300 0.202 0.000 0.970 342 D CA 1.350 55.492 54.000 0.237 0.000 0.851 342 D CB 0.040 40.896 40.800 0.094 0.000 0.943 342 D HN 0.320 nan 8.370 nan 0.000 0.488 343 T N 0.813 115.428 114.554 0.100 0.000 2.821 343 T HA -0.071 4.279 4.350 -0.000 0.000 0.267 343 T C 2.077 176.789 174.700 0.019 0.000 1.046 343 T CA 1.107 63.240 62.100 0.055 0.000 1.139 343 T CB -0.079 68.805 68.868 0.028 0.000 0.871 343 T HN 0.173 nan 8.240 nan 0.000 0.454 344 A N 0.978 123.763 122.820 -0.058 0.000 1.908 344 A HA -0.052 4.268 4.320 -0.000 0.000 0.218 344 A C 1.906 179.309 177.584 -0.301 0.000 1.181 344 A CA 1.444 53.340 52.037 -0.234 0.000 0.627 344 A CB -1.013 17.745 19.000 -0.403 0.000 0.818 344 A HN 0.528 nan 8.150 nan 0.000 0.445 345 F N 0.186 120.117 119.950 -0.030 0.000 2.293 345 F HA -0.101 4.426 4.527 -0.000 0.000 0.300 345 F C 2.006 177.831 175.800 0.041 0.000 1.086 345 F CA 1.270 59.261 58.000 -0.015 0.000 1.375 345 F CB -0.155 38.841 39.000 -0.006 0.000 1.045 345 F HN 0.182 nan 8.300 nan 0.000 0.516 346 D N -0.660 119.858 120.400 0.195 0.000 2.224 346 D HA -0.097 4.543 4.640 -0.000 0.000 0.205 346 D C 2.253 178.660 176.300 0.178 0.000 0.965 346 D CA 0.863 54.968 54.000 0.176 0.000 0.852 346 D CB -0.352 40.501 40.800 0.088 0.000 0.947 346 D HN 0.265 nan 8.370 nan 0.000 0.494 347 C N 0.948 120.322 119.300 0.123 0.000 2.466 347 C HA 0.039 4.499 4.460 -0.000 0.000 0.278 347 C C 2.888 177.951 174.990 0.121 0.000 1.288 347 C CA 0.682 59.806 59.018 0.177 0.000 1.722 347 C CB -0.810 26.936 27.740 0.011 0.000 2.017 347 C HN 0.345 nan 8.230 nan 0.000 0.488 348 A N 1.441 124.266 122.820 0.008 0.000 1.858 348 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 348 A C 2.308 179.919 177.584 0.046 0.000 1.190 348 A CA 2.876 54.895 52.037 -0.030 0.000 0.617 348 A CB -1.375 17.562 19.000 -0.105 0.000 0.827 348 A HN 0.665 nan 8.150 nan 0.000 0.443 349 T N -2.662 111.960 114.554 0.114 0.000 2.788 349 T HA -0.109 4.241 4.350 -0.000 0.000 0.268 349 T C 1.979 176.763 174.700 0.140 0.000 1.044 349 T CA 1.861 64.013 62.100 0.087 0.000 1.139 349 T CB -0.605 68.350 68.868 0.146 0.000 0.867 349 T HN 0.280 nan 8.240 nan 0.000 0.454 350 S N 1.847 117.744 115.700 0.328 0.000 2.383 350 S HA 0.179 4.649 4.470 -0.000 0.000 0.227 350 S C 2.644 177.416 174.600 0.286 0.000 1.026 350 S CA 0.784 59.193 58.200 0.349 0.000 0.981 350 S CB -0.792 62.561 63.200 0.256 0.000 0.818 350 S HN 0.765 nan 8.310 nan 0.000 0.472 351 A N 1.832 124.836 122.820 0.307 0.000 1.908 351 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 351 A C 2.080 179.715 177.584 0.086 0.000 1.181 351 A CA 1.261 53.422 52.037 0.207 0.000 0.627 351 A CB -0.824 18.162 19.000 -0.023 0.000 0.818 351 A HN 0.466 nan 8.150 nan 0.000 0.445 352 L N -1.560 119.674 121.223 0.018 0.000 2.079 352 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 352 L C 2.735 179.562 176.870 -0.071 0.000 1.081 352 L CA 1.417 56.232 54.840 -0.042 0.000 0.752 352 L CB -0.403 41.603 42.059 -0.088 0.000 0.896 352 L HN 0.229 nan 8.230 nan 0.000 0.433 353 R N -0.850 119.587 120.500 -0.105 0.000 2.189 353 R HA -0.059 4.281 4.340 -0.000 0.000 0.223 353 R C 2.061 178.340 176.300 -0.036 0.000 1.092 353 R CA 0.920 56.896 56.100 -0.206 0.000 0.989 353 R CB -0.837 29.176 30.300 -0.478 0.000 0.876 353 R HN 0.341 nan 8.270 nan 0.000 0.457 354 C N -1.310 118.025 119.300 0.059 0.000 2.618 354 C HA 0.378 4.838 4.460 -0.000 0.000 0.264 354 C C 1.502 176.535 174.990 0.072 0.000 1.334 354 C CA 0.570 59.651 59.018 0.105 0.000 1.731 354 C CB -0.611 27.232 27.740 0.171 0.000 1.852 354 C HN 0.721 nan 8.230 nan 0.000 0.566 355 G N -0.023 108.800 108.800 0.038 0.000 2.175 355 G HA2 0.040 4.000 3.960 -0.000 0.000 0.182 355 G HA3 0.040 4.000 3.960 -0.000 0.000 0.182 355 G C 0.160 175.075 174.900 0.025 0.000 1.003 355 G CA 0.011 45.129 45.100 0.030 0.000 0.666 355 G HN 0.826 nan 8.290 nan 0.000 0.506 356 A N 0.307 123.140 122.820 0.021 0.000 2.540 356 A HA 0.560 4.880 4.320 -0.000 0.000 0.239 356 A C 1.390 178.981 177.584 0.012 0.000 1.061 356 A CA 1.358 53.403 52.037 0.015 0.000 0.758 356 A CB 0.187 19.186 19.000 -0.002 0.000 0.991 356 A HN 0.582 nan 8.150 nan 0.000 0.502 357 R N 1.011 121.527 120.500 0.025 0.000 2.075 357 R HA 0.046 4.386 4.340 -0.000 0.000 0.226 357 R C 0.303 176.614 176.300 0.017 0.000 1.114 357 R CA 1.026 57.142 56.100 0.027 0.000 0.972 357 R CB 0.090 30.416 30.300 0.044 0.000 0.869 357 R HN 0.813 nan 8.270 nan 0.000 0.437 358 R N -0.543 119.970 120.500 0.022 0.000 2.643 358 R HA 0.378 4.718 4.340 -0.000 0.000 0.269 358 R C -1.791 174.476 176.300 -0.054 0.000 1.037 358 R CA -0.729 55.344 56.100 -0.045 0.000 0.894 358 R CB 2.865 33.150 30.300 -0.024 0.000 1.238 358 R HN -0.096 nan 8.270 nan 0.000 0.459 359 V N 3.216 123.006 119.914 -0.207 0.000 2.531 359 V HA 0.547 4.667 4.120 -0.000 0.000 0.301 359 V C -1.163 174.741 176.094 -0.318 0.000 1.034 359 V CA -0.689 61.525 62.300 -0.144 0.000 0.865 359 V CB 1.655 33.409 31.823 -0.115 0.000 0.995 359 V HN 0.512 nan 8.190 nan 0.000 0.424 360 F N 4.478 124.386 119.950 -0.071 0.000 2.482 360 F HA 0.641 5.168 4.527 -0.000 0.000 0.331 360 F C -0.092 175.617 175.800 -0.150 0.000 1.115 360 F CA -0.717 57.233 58.000 -0.084 0.000 0.955 360 F CB 1.701 40.671 39.000 -0.050 0.000 1.136 360 F HN 0.193 nan 8.300 nan 0.000 0.452 361 L N 4.415 125.590 121.223 -0.079 0.000 2.262 361 L HA 0.572 4.912 4.340 -0.000 0.000 0.288 361 L C -0.892 175.982 176.870 0.006 0.000 1.035 361 L CA -0.640 54.100 54.840 -0.166 0.000 0.820 361 L CB 1.167 42.905 42.059 -0.535 0.000 1.204 361 L HN 0.327 nan 8.230 nan 0.000 0.424 362 V N 4.522 124.448 119.914 0.021 0.000 2.384 362 V HA 0.494 4.614 4.120 -0.000 0.000 0.287 362 V C -0.314 175.813 176.094 0.055 0.000 1.020 362 V CA -0.559 61.678 62.300 -0.105 0.000 0.850 362 V CB 1.024 32.719 31.823 -0.213 0.000 0.987 362 V HN 0.480 nan 8.190 nan 0.000 0.436 363 F N 2.400 122.316 119.950 -0.055 0.000 2.577 363 F HA 0.672 5.199 4.527 -0.000 0.000 0.318 363 F C 1.084 176.832 175.800 -0.086 0.000 1.065 363 F CA -1.390 56.568 58.000 -0.070 0.000 0.929 363 F CB 1.532 40.451 39.000 -0.135 0.000 1.237 363 F HN 0.451 nan 8.300 nan 0.000 0.468 364 R N 0.395 120.920 120.500 0.041 0.000 2.307 364 R HA 0.282 4.622 4.340 -0.000 0.000 0.199 364 R C -0.268 175.900 176.300 -0.219 0.000 1.000 364 R CA 0.448 56.512 56.100 -0.060 0.000 1.023 364 R CB -0.062 30.188 30.300 -0.083 0.000 0.908 364 R HN 0.657 nan 8.270 nan 0.000 0.473 365 K N 0.047 120.288 120.400 -0.266 0.000 2.296 365 K HA 0.448 4.768 4.320 -0.000 0.000 0.243 365 K C 0.020 176.326 176.600 -0.490 0.000 1.082 365 K CA -0.691 55.241 56.287 -0.591 0.000 0.929 365 K CB 1.206 33.245 32.500 -0.767 0.000 1.353 365 K HN 0.107 nan 8.250 nan 0.000 0.536 366 G N -0.155 108.387 108.800 -0.429 0.000 2.557 366 G HA2 0.170 4.130 3.960 -0.000 0.000 0.292 366 G HA3 0.170 4.130 3.960 -0.000 0.000 0.292 366 G C 0.084 175.134 174.900 0.251 0.000 1.237 366 G CA -0.275 44.653 45.100 -0.286 0.000 0.978 366 G HN 0.437 nan 8.290 nan 0.000 0.498 367 F N -0.076 120.048 119.950 0.290 0.000 2.134 367 F HA -0.130 4.397 4.527 -0.000 0.000 0.299 367 F C 2.900 178.757 175.800 0.094 0.000 1.097 367 F CA 1.808 59.948 58.000 0.233 0.000 1.264 367 F CB -0.078 39.056 39.000 0.225 0.000 1.001 367 F HN 0.129 nan 8.300 nan 0.000 0.479 368 V N -1.572 118.523 119.914 0.302 0.000 2.720 368 V HA -0.239 3.881 4.120 -0.000 0.000 0.256 368 V C 1.191 177.346 176.094 0.103 0.000 1.082 368 V CA 1.985 64.397 62.300 0.188 0.000 1.101 368 V CB -1.264 30.678 31.823 0.198 0.000 0.693 368 V HN 0.311 nan 8.190 nan 0.000 0.479 369 N N 0.101 118.846 118.700 0.075 0.000 2.412 369 N HA 0.266 5.006 4.740 -0.000 0.000 0.184 369 N C 0.372 175.817 175.510 -0.109 0.000 1.101 369 N CA 0.057 53.109 53.050 0.003 0.000 0.881 369 N CB -0.127 38.359 38.487 -0.001 0.000 0.969 369 N HN 0.461 nan 8.380 nan 0.000 0.459 370 I N 1.375 121.833 120.570 -0.187 0.000 2.662 370 I HA -0.048 4.122 4.170 -0.000 0.000 0.285 370 I C 0.834 176.877 176.117 -0.123 0.000 1.161 370 I CA 0.462 61.616 61.300 -0.243 0.000 1.415 370 I CB 0.661 38.462 38.000 -0.331 0.000 1.385 370 I HN 0.080 nan 8.210 nan 0.000 0.552 371 R N 4.635 125.080 120.500 -0.093 0.000 2.432 371 R HA 0.336 4.676 4.340 -0.000 0.000 0.260 371 R C 0.419 176.686 176.300 -0.056 0.000 0.935 371 R CA -0.290 55.772 56.100 -0.063 0.000 1.080 371 R CB 0.493 30.762 30.300 -0.052 0.000 1.155 371 R HN 0.700 nan 8.270 nan 0.000 0.531 372 A N 1.373 124.157 122.820 -0.059 0.000 2.407 372 A HA 0.245 4.565 4.320 -0.000 0.000 0.248 372 A C 0.546 178.047 177.584 -0.139 0.000 1.082 372 A CA -0.445 51.548 52.037 -0.073 0.000 0.785 372 A CB 0.442 19.397 19.000 -0.074 0.000 1.020 372 A HN 0.172 nan 8.150 nan 0.000 0.489 373 V N 2.392 122.238 119.914 -0.114 0.000 2.617 373 V HA 0.103 4.223 4.120 -0.000 0.000 0.304 373 V C -1.476 174.526 176.094 -0.154 0.000 1.040 373 V CA -0.459 61.778 62.300 -0.105 0.000 1.149 373 V CB 0.478 32.260 31.823 -0.070 0.000 0.914 373 V HN 0.795 nan 8.190 nan 0.000 0.487 374 P HA -0.149 nan 4.420 nan 0.000 0.216 374 P C 1.357 178.591 177.300 -0.109 0.000 1.154 374 P CA 1.873 64.907 63.100 -0.110 0.000 0.865 374 P CB 0.201 31.870 31.700 -0.052 0.000 0.789 375 E N -0.664 119.491 120.200 -0.076 0.000 2.118 375 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 375 E C 1.973 178.512 176.600 -0.103 0.000 0.992 375 E CA 1.269 57.633 56.400 -0.060 0.000 0.804 375 E CB -0.721 28.959 29.700 -0.033 0.000 0.741 375 E HN 0.357 nan 8.360 nan 0.000 0.458 376 E N 0.111 120.226 120.200 -0.141 0.000 2.072 376 E HA -0.096 4.254 4.350 -0.000 0.000 0.190 376 E C 1.877 178.304 176.600 -0.288 0.000 0.982 376 E CA 0.901 57.205 56.400 -0.161 0.000 0.803 376 E CB -0.112 29.497 29.700 -0.152 0.000 0.755 376 E HN 0.082 nan 8.360 nan 0.000 0.453 377 V N 1.061 120.678 119.914 -0.496 0.000 2.332 377 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 377 V C 2.433 178.442 176.094 -0.142 0.000 1.055 377 V CA 2.198 64.128 62.300 -0.615 0.000 1.038 377 V CB -0.743 30.765 31.823 -0.526 0.000 0.651 377 V HN 0.396 nan 8.190 nan 0.000 0.450 378 E N 0.551 120.692 120.200 -0.097 0.000 2.085 378 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 378 E C 2.058 178.673 176.600 0.025 0.000 0.994 378 E CA 1.660 58.056 56.400 -0.007 0.000 0.801 378 E CB -0.368 29.338 29.700 0.010 0.000 0.743 378 E HN 0.582 nan 8.360 nan 0.000 0.453 379 L N 0.039 121.249 121.223 -0.022 0.000 2.046 379 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 379 L C 2.619 179.522 176.870 0.056 0.000 1.077 379 L CA 1.197 56.025 54.840 -0.020 0.000 0.747 379 L CB -0.600 41.435 42.059 -0.040 0.000 0.896 379 L HN 0.280 nan 8.230 nan 0.000 0.432 380 A N -0.061 122.845 122.820 0.142 0.000 1.930 380 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 380 A C 2.408 180.155 177.584 0.271 0.000 1.175 380 A CA 1.734 53.910 52.037 0.232 0.000 0.627 380 A CB -0.385 18.878 19.000 0.439 0.000 0.815 380 A HN 0.331 nan 8.150 nan 0.000 0.443 381 K N 0.499 121.081 120.400 0.304 0.000 2.057 381 K HA -0.201 4.119 4.320 -0.000 0.000 0.207 381 K C 1.881 178.557 176.600 0.128 0.000 1.049 381 K CA 1.689 58.130 56.287 0.256 0.000 0.931 381 K CB -0.203 32.368 32.500 0.118 0.000 0.714 381 K HN 0.748 nan 8.250 nan 0.000 0.440 382 E N -0.065 120.186 120.200 0.085 0.000 2.358 382 E HA -0.130 4.220 4.350 -0.000 0.000 0.195 382 E C 0.647 177.262 176.600 0.024 0.000 1.010 382 E CA 0.735 57.162 56.400 0.046 0.000 0.856 382 E CB 0.086 29.824 29.700 0.063 0.000 0.795 382 E HN 0.402 nan 8.360 nan 0.000 0.504 383 E N 1.125 121.344 120.200 0.032 0.000 2.437 383 E HA 0.033 4.383 4.350 -0.000 0.000 0.189 383 E C -0.473 176.135 176.600 0.013 0.000 1.054 383 E CA -0.217 56.181 56.400 -0.004 0.000 0.874 383 E CB 0.279 29.955 29.700 -0.040 0.000 1.011 383 E HN 0.057 nan 8.360 nan 0.000 0.474 384 K N -0.280 120.147 120.400 0.046 0.000 3.125 384 K HA -0.160 4.160 4.320 -0.000 0.000 0.268 384 K C -0.647 175.982 176.600 0.049 0.000 1.078 384 K CA 0.302 56.623 56.287 0.055 0.000 0.775 384 K CB -3.138 29.381 32.500 0.031 0.000 1.253 384 K HN 0.238 nan 8.250 nan 0.000 0.486 385 C N 0.900 120.266 119.300 0.109 0.000 2.536 385 C HA 0.330 4.790 4.460 -0.000 0.000 0.396 385 C C 1.326 176.394 174.990 0.129 0.000 1.279 385 C CA -0.589 58.439 59.018 0.016 0.000 2.148 385 C CB 0.885 28.609 27.740 -0.026 0.000 2.584 385 C HN 0.404 nan 8.230 nan 0.000 0.579 386 E N 0.935 121.081 120.200 -0.090 0.000 2.313 386 E HA 0.564 4.914 4.350 -0.000 0.000 0.272 386 E C -1.417 175.321 176.600 0.231 0.000 1.038 386 E CA -0.219 56.244 56.400 0.106 0.000 0.863 386 E CB 0.424 29.991 29.700 -0.223 0.000 1.060 386 E HN 0.389 nan 8.360 nan 0.000 0.402 387 F N 3.129 123.240 119.950 0.267 0.000 2.467 387 F HA 0.435 4.962 4.527 -0.000 0.000 0.336 387 F C -0.541 175.424 175.800 0.275 0.000 1.123 387 F CA -0.714 57.524 58.000 0.396 0.000 0.964 387 F CB 1.047 40.480 39.000 0.721 0.000 1.136 387 F HN 0.239 nan 8.300 nan 0.000 0.447 388 L N 6.248 127.545 121.223 0.124 0.000 2.345 388 L HA 0.467 4.807 4.340 -0.000 0.000 0.274 388 L C -2.467 174.000 176.870 -0.672 0.000 0.999 388 L CA -1.779 52.986 54.840 -0.124 0.000 0.849 388 L CB 1.954 43.930 42.059 -0.140 0.000 1.220 388 L HN 0.324 nan 8.230 nan 0.000 0.422 389 P HA 0.299 nan 4.420 nan 0.000 0.281 389 P C -0.094 177.135 177.300 -0.119 0.000 1.281 389 P CA -0.475 62.226 63.100 -0.664 0.000 0.811 389 P CB 0.722 32.442 31.700 0.034 0.000 1.154 390 F N -2.637 117.273 119.950 -0.066 0.000 3.004 390 F HA -0.200 4.327 4.527 -0.000 0.000 0.264 390 F C -0.054 175.752 175.800 0.011 0.000 0.979 390 F CA 0.676 58.718 58.000 0.070 0.000 0.896 390 F CB -1.934 37.153 39.000 0.144 0.000 0.813 390 F HN 0.125 nan 8.300 nan 0.000 0.804 391 L N 0.159 121.406 121.223 0.041 0.000 2.439 391 L HA 0.506 4.846 4.340 -0.000 0.000 0.270 391 L C -0.033 176.960 176.870 0.204 0.000 0.972 391 L CA -0.614 54.264 54.840 0.063 0.000 0.836 391 L CB 2.211 44.127 42.059 -0.239 0.000 1.255 391 L HN 0.085 nan 8.230 nan 0.000 0.404 392 S N 5.008 120.886 115.700 0.296 0.000 2.449 392 S HA 0.595 5.065 4.470 -0.000 0.000 0.310 392 S C -2.447 172.311 174.600 0.263 0.000 1.096 392 S CA -1.541 56.810 58.200 0.252 0.000 1.095 392 S CB 1.399 64.672 63.200 0.121 0.000 1.007 392 S HN 0.304 nan 8.310 nan 0.000 0.474 393 P HA 0.232 nan 4.420 nan 0.000 0.268 393 P C -0.279 176.882 177.300 -0.232 0.000 1.208 393 P CA -0.064 62.869 63.100 -0.280 0.000 0.777 393 P CB 0.881 32.552 31.700 -0.049 0.000 0.875 394 R N 0.561 120.853 120.500 -0.348 0.000 2.769 394 R HA 0.315 4.655 4.340 -0.000 0.000 0.191 394 R C 0.151 176.283 176.300 -0.281 0.000 0.881 394 R CA 0.815 56.768 56.100 -0.245 0.000 1.133 394 R CB 0.506 30.713 30.300 -0.156 0.000 1.607 394 R HN 0.398 nan 8.270 nan 0.000 0.613 395 K N -0.304 119.902 120.400 -0.322 0.000 2.527 395 K HA 0.496 4.816 4.320 -0.000 0.000 0.260 395 K C -1.514 174.931 176.600 -0.258 0.000 0.937 395 K CA -0.693 55.434 56.287 -0.268 0.000 0.826 395 K CB 2.816 35.198 32.500 -0.198 0.000 1.359 395 K HN -0.208 nan 8.250 nan 0.000 0.434 396 V N 5.102 124.903 119.914 -0.188 0.000 2.266 396 V HA 0.256 4.376 4.120 -0.000 0.000 0.271 396 V C -0.060 175.986 176.094 -0.081 0.000 1.032 396 V CA -0.897 61.341 62.300 -0.104 0.000 0.806 396 V CB 0.595 32.400 31.823 -0.030 0.000 1.052 396 V HN 0.611 nan 8.190 nan 0.000 0.449 397 I N 4.839 125.361 120.570 -0.081 0.000 2.662 397 I HA 0.088 4.258 4.170 -0.000 0.000 0.285 397 I C 0.205 176.314 176.117 -0.014 0.000 1.161 397 I CA 0.690 61.965 61.300 -0.041 0.000 1.415 397 I CB 0.551 38.538 38.000 -0.021 0.000 1.385 397 I HN 0.187 nan 8.210 nan 0.000 0.552 398 V N 7.961 127.868 119.914 -0.011 0.000 2.487 398 V HA 0.463 4.583 4.120 -0.000 0.000 0.298 398 V C 0.001 176.097 176.094 0.004 0.000 1.028 398 V CA -0.869 61.430 62.300 -0.002 0.000 0.860 398 V CB 2.071 33.887 31.823 -0.011 0.000 0.991 398 V HN 0.651 nan 8.190 nan 0.000 0.427 399 K N 2.870 123.276 120.400 0.011 0.000 2.637 399 K HA 0.600 4.920 4.320 -0.000 0.000 0.248 399 K C 0.379 176.987 176.600 0.013 0.000 0.971 399 K CA -0.152 56.142 56.287 0.012 0.000 0.858 399 K CB 1.825 34.336 32.500 0.018 0.000 1.170 399 K HN 1.056 nan 8.250 nan 0.000 0.443 400 G N 1.385 110.191 108.800 0.009 0.000 2.140 400 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.211 400 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.211 400 G C 0.641 175.547 174.900 0.010 0.000 1.013 400 G CA 0.212 45.319 45.100 0.010 0.000 0.705 400 G HN 1.143 nan 8.290 nan 0.000 0.508 401 G N -0.948 107.856 108.800 0.007 0.000 2.148 401 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.254 401 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.254 401 G C 0.260 175.166 174.900 0.010 0.000 0.981 401 G CA 1.369 46.473 45.100 0.006 0.000 0.670 401 G HN 2.030 nan 8.290 nan 0.000 0.528 402 R N -1.117 119.392 120.500 0.015 0.000 2.680 402 R HA 0.716 5.056 4.340 -0.000 0.000 0.269 402 R C -0.207 176.109 176.300 0.026 0.000 1.026 402 R CA -1.400 54.714 56.100 0.023 0.000 0.889 402 R CB 1.201 31.518 30.300 0.028 0.000 1.241 402 R HN 0.115 nan 8.270 nan 0.000 0.463 403 I N 2.323 122.915 120.570 0.037 0.000 2.648 403 I HA -0.033 4.137 4.170 -0.000 0.000 0.284 403 I C 1.345 177.486 176.117 0.039 0.000 1.153 403 I CA -0.137 61.187 61.300 0.040 0.000 1.426 403 I CB 1.367 39.406 38.000 0.065 0.000 1.381 403 I HN 0.663 nan 8.210 nan 0.000 0.571 404 V N 2.317 122.252 119.914 0.034 0.000 3.548 404 V HA 0.708 4.828 4.120 -0.000 0.000 0.279 404 V C 0.396 176.514 176.094 0.040 0.000 1.446 404 V CA 0.491 62.813 62.300 0.038 0.000 1.023 404 V CB 0.052 31.898 31.823 0.038 0.000 0.820 404 V HN 0.850 nan 8.190 nan 0.000 0.438 405 A N -0.656 122.182 122.820 0.029 0.000 2.490 405 A HA 0.764 5.084 4.320 -0.000 0.000 0.292 405 A C -1.570 176.001 177.584 -0.022 0.000 1.047 405 A CA -0.051 51.997 52.037 0.019 0.000 0.632 405 A CB 1.348 20.371 19.000 0.037 0.000 1.323 405 A HN 0.675 nan 8.150 nan 0.000 0.448 406 V N 0.783 120.678 119.914 -0.031 0.000 2.709 406 V HA 0.587 4.707 4.120 -0.000 0.000 0.308 406 V C -0.257 175.679 176.094 -0.263 0.000 1.062 406 V CA -0.452 61.758 62.300 -0.149 0.000 0.901 406 V CB 1.766 33.532 31.823 -0.095 0.000 1.003 406 V HN 0.924 nan 8.190 nan 0.000 0.425 407 Q N 2.685 122.216 119.800 -0.449 0.000 2.278 407 Q HA 0.653 4.993 4.340 -0.000 0.000 0.257 407 Q C -1.780 173.959 176.000 -0.436 0.000 0.928 407 Q CA -0.277 55.297 55.803 -0.382 0.000 0.932 407 Q CB 1.172 29.702 28.738 -0.346 0.000 1.221 407 Q HN 0.612 nan 8.270 nan 0.000 0.434 408 F N 1.520 121.429 119.950 -0.069 0.000 2.661 408 F HA 0.706 5.233 4.527 -0.000 0.000 0.347 408 F C -0.432 175.371 175.800 0.005 0.000 1.086 408 F CA -0.947 57.043 58.000 -0.016 0.000 1.016 408 F CB 1.585 40.585 39.000 -0.000 0.000 1.368 408 F HN 0.281 nan 8.300 nan 0.000 0.505 409 V N 1.545 121.607 119.914 0.247 0.000 2.760 409 V HA 0.499 4.619 4.120 -0.000 0.000 0.309 409 V C -0.652 175.544 176.094 0.170 0.000 1.077 409 V CA -0.894 61.501 62.300 0.157 0.000 0.910 409 V CB 1.989 33.870 31.823 0.098 0.000 1.008 409 V HN 0.654 nan 8.190 nan 0.000 0.424 410 R N 2.739 123.324 120.500 0.143 0.000 2.679 410 R HA 0.442 4.782 4.340 -0.000 0.000 0.268 410 R C 0.094 176.511 176.300 0.194 0.000 1.044 410 R CA 0.417 56.612 56.100 0.157 0.000 1.105 410 R CB 0.706 31.071 30.300 0.109 0.000 0.989 410 R HN 0.884 nan 8.270 nan 0.000 0.447 411 T N -1.311 113.418 114.554 0.292 0.000 2.930 411 T HA 0.635 4.985 4.350 -0.000 0.000 0.290 411 T C -0.665 174.312 174.700 0.461 0.000 1.052 411 T CA -0.932 61.401 62.100 0.389 0.000 1.017 411 T CB 2.383 71.530 68.868 0.466 0.000 1.137 411 T HN 0.634 nan 8.240 nan 0.000 0.511 412 E N -0.391 120.067 120.200 0.430 0.000 2.388 412 E HA 0.315 4.665 4.350 -0.000 0.000 0.281 412 E C -1.818 174.727 176.600 -0.092 0.000 1.046 412 E CA -0.503 56.004 56.400 0.178 0.000 0.825 412 E CB 2.026 31.740 29.700 0.024 0.000 1.243 412 E HN 0.749 nan 8.360 nan 0.000 0.438 413 Q N 1.897 121.457 119.800 -0.401 0.000 2.256 413 Q HA 0.319 4.659 4.340 -0.000 0.000 0.257 413 Q C -0.961 174.859 176.000 -0.300 0.000 0.936 413 Q CA -0.680 54.743 55.803 -0.634 0.000 0.903 413 Q CB 1.079 29.246 28.738 -0.953 0.000 1.263 413 Q HN 0.595 nan 8.270 nan 0.000 0.440 414 D N 0.381 120.647 120.400 -0.224 0.000 2.539 414 D HA -0.003 4.637 4.640 -0.000 0.000 0.280 414 D C 0.799 177.031 176.300 -0.113 0.000 1.208 414 D CA -0.362 53.563 54.000 -0.126 0.000 1.088 414 D CB 0.318 41.072 40.800 -0.076 0.000 1.149 414 D HN 0.623 nan 8.370 nan 0.000 0.596 415 E N -0.780 119.377 120.200 -0.070 0.000 2.005 415 E HA -0.275 4.075 4.350 -0.000 0.000 0.198 415 E C 1.818 178.389 176.600 -0.048 0.000 1.010 415 E CA 2.477 58.845 56.400 -0.052 0.000 0.825 415 E CB -0.600 29.080 29.700 -0.033 0.000 0.769 415 E HN 0.619 nan 8.360 nan 0.000 0.456 416 T N -2.494 112.038 114.554 -0.036 0.000 2.848 416 T HA -0.106 4.244 4.350 -0.000 0.000 0.269 416 T C 1.471 176.154 174.700 -0.028 0.000 1.081 416 T CA 1.333 63.420 62.100 -0.022 0.000 1.125 416 T CB -0.658 68.204 68.868 -0.009 0.000 0.848 416 T HN 0.628 nan 8.240 nan 0.000 0.503 417 G N 0.588 109.346 108.800 -0.070 0.000 2.141 417 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.195 417 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.195 417 G C -0.231 174.602 174.900 -0.111 0.000 1.012 417 G CA 0.044 45.084 45.100 -0.100 0.000 0.696 417 G HN 0.822 nan 8.290 nan 0.000 0.508 418 K N -0.588 119.743 120.400 -0.116 0.000 2.110 418 K HA 0.569 4.888 4.320 -0.000 0.000 0.263 418 K C -0.448 176.078 176.600 -0.123 0.000 0.975 418 K CA -1.003 55.267 56.287 -0.028 0.000 0.895 418 K CB 0.817 33.329 32.500 0.020 0.000 1.060 418 K HN 0.123 nan 8.250 nan 0.000 0.448 419 W N 2.543 123.876 121.300 0.055 0.000 2.390 419 W HA 0.343 5.003 4.660 -0.000 0.000 0.312 419 W C -0.002 176.553 176.519 0.060 0.000 1.123 419 W CA -0.504 56.883 57.345 0.070 0.000 1.202 419 W CB 0.968 30.469 29.460 0.068 0.000 1.251 419 W HN 0.421 nan 8.180 nan 0.000 0.511 420 N N 2.128 120.984 118.700 0.260 0.000 2.292 420 N HA 0.349 5.089 4.740 -0.000 0.000 0.303 420 N C -1.284 174.343 175.510 0.195 0.000 1.140 420 N CA -0.890 52.264 53.050 0.174 0.000 0.788 420 N CB 2.123 40.666 38.487 0.093 0.000 1.361 420 N HN 0.471 nan 8.380 nan 0.000 0.489 421 E N 0.407 120.692 120.200 0.142 0.000 2.267 421 E HA 0.096 4.446 4.350 -0.000 0.000 0.248 421 E C -1.366 175.289 176.600 0.092 0.000 0.899 421 E CA -0.614 55.864 56.400 0.132 0.000 0.764 421 E CB 1.467 31.235 29.700 0.114 0.000 1.227 421 E HN 0.335 nan 8.360 nan 0.000 0.421 422 D N 3.153 123.606 120.400 0.088 0.000 2.346 422 D HA -0.037 4.603 4.640 -0.000 0.000 0.267 422 D C 0.750 177.085 176.300 0.058 0.000 1.320 422 D CA 0.419 54.457 54.000 0.063 0.000 0.951 422 D CB 0.591 41.423 40.800 0.054 0.000 1.079 422 D HN 0.358 nan 8.370 nan 0.000 0.509 423 E N 2.282 122.509 120.200 0.046 0.000 2.401 423 E HA -0.148 4.202 4.350 -0.000 0.000 0.199 423 E C 0.585 177.207 176.600 0.036 0.000 1.023 423 E CA 0.611 57.034 56.400 0.038 0.000 0.859 423 E CB 0.313 30.029 29.700 0.026 0.000 0.780 423 E HN 0.549 nan 8.360 nan 0.000 0.523 424 D N 0.984 121.405 120.400 0.036 0.000 2.162 424 D HA -0.066 4.574 4.640 -0.000 0.000 0.203 424 D C 0.472 176.797 176.300 0.042 0.000 0.967 424 D CA 0.738 54.758 54.000 0.033 0.000 0.840 424 D CB -0.005 40.811 40.800 0.026 0.000 0.972 424 D HN 0.179 nan 8.370 nan 0.000 0.482 425 Q N 1.384 121.213 119.800 0.049 0.000 2.534 425 Q HA 0.242 4.582 4.340 -0.000 0.000 0.223 425 Q C 0.000 176.048 176.000 0.079 0.000 1.239 425 Q CA -0.059 55.779 55.803 0.058 0.000 0.936 425 Q CB 0.218 28.989 28.738 0.055 0.000 1.457 425 Q HN 0.324 nan 8.270 nan 0.000 0.547 426 I N -0.573 120.049 120.570 0.086 0.000 2.581 426 I HA 0.393 4.563 4.170 -0.000 0.000 0.288 426 I C -0.031 176.177 176.117 0.152 0.000 1.047 426 I CA -1.111 60.258 61.300 0.116 0.000 1.374 426 I CB 0.870 38.944 38.000 0.124 0.000 1.423 426 I HN 0.012 nan 8.210 nan 0.000 0.549 427 V N 3.720 123.745 119.914 0.185 0.000 2.531 427 V HA 0.291 4.411 4.120 -0.000 0.000 0.301 427 V C -0.855 175.376 176.094 0.229 0.000 1.034 427 V CA -0.626 61.796 62.300 0.203 0.000 0.865 427 V CB 1.389 33.316 31.823 0.174 0.000 0.995 427 V HN 0.600 nan 8.190 nan 0.000 0.424 428 H N 4.343 123.473 119.070 0.100 0.000 2.597 428 H HA 0.661 5.217 4.556 -0.000 0.000 0.303 428 H C -0.649 174.720 175.328 0.068 0.000 1.057 428 H CA -0.118 55.984 56.048 0.090 0.000 1.261 428 H CB 1.136 30.924 29.762 0.043 0.000 1.397 428 H HN 0.509 nan 8.280 nan 0.000 0.461 429 L N 3.532 124.833 121.223 0.131 0.000 2.341 429 L HA 0.375 4.715 4.340 -0.000 0.000 0.278 429 L C 0.210 177.090 176.870 0.017 0.000 1.005 429 L CA -0.821 54.040 54.840 0.034 0.000 0.818 429 L CB 1.704 43.768 42.059 0.009 0.000 1.259 429 L HN 0.452 nan 8.230 nan 0.000 0.418 430 K N 2.444 122.818 120.400 -0.043 0.000 2.258 430 K HA 0.701 5.021 4.320 -0.000 0.000 0.264 430 K C -0.710 175.866 176.600 -0.039 0.000 1.007 430 K CA -0.114 56.161 56.287 -0.019 0.000 0.941 430 K CB 1.072 33.561 32.500 -0.018 0.000 0.966 430 K HN 0.734 nan 8.250 nan 0.000 0.480 431 A N 3.099 125.926 122.820 0.012 0.000 2.585 431 A HA 0.217 4.537 4.320 -0.000 0.000 0.299 431 A C -1.281 176.333 177.584 0.049 0.000 1.047 431 A CA -0.758 51.299 52.037 0.033 0.000 0.723 431 A CB 0.982 20.009 19.000 0.046 0.000 1.275 431 A HN 0.795 nan 8.150 nan 0.000 0.408 432 D N -0.201 120.233 120.400 0.056 0.000 2.388 432 D HA 0.351 4.991 4.640 -0.000 0.000 0.208 432 D C 0.096 176.434 176.300 0.063 0.000 1.035 432 D CA 0.965 54.999 54.000 0.057 0.000 0.875 432 D CB 0.926 41.760 40.800 0.057 0.000 0.984 432 D HN 0.345 nan 8.370 nan 0.000 0.508 433 V N 0.667 120.613 119.914 0.054 0.000 2.888 433 V HA 0.465 4.585 4.120 -0.000 0.000 0.309 433 V C -0.899 175.204 176.094 0.015 0.000 1.114 433 V CA -0.911 61.417 62.300 0.047 0.000 0.940 433 V CB 2.871 34.697 31.823 0.005 0.000 1.021 433 V HN -0.273 nan 8.190 nan 0.000 0.426 434 V N 5.318 125.243 119.914 0.018 0.000 2.577 434 V HA 0.596 4.716 4.120 -0.000 0.000 0.303 434 V C -0.691 175.249 176.094 -0.257 0.000 1.042 434 V CA -0.391 61.892 62.300 -0.029 0.000 0.872 434 V CB 1.948 33.856 31.823 0.142 0.000 0.998 434 V HN 0.709 nan 8.190 nan 0.000 0.423 435 I N 3.890 124.252 120.570 -0.346 0.000 2.439 435 I HA 0.436 4.606 4.170 -0.000 0.000 0.285 435 I C 0.170 175.991 176.117 -0.494 0.000 1.021 435 I CA -0.367 60.626 61.300 -0.513 0.000 1.091 435 I CB 2.249 39.928 38.000 -0.536 0.000 1.242 435 I HN 0.685 nan 8.210 nan 0.000 0.439 436 S N 4.765 120.050 115.700 -0.692 0.000 2.499 436 S HA 0.747 5.217 4.470 -0.000 0.000 0.279 436 S C 0.039 174.313 174.600 -0.543 0.000 1.219 436 S CA -0.541 57.180 58.200 -0.798 0.000 1.062 436 S CB 1.735 64.203 63.200 -1.220 0.000 0.978 436 S HN 0.727 nan 8.310 nan 0.000 0.489 437 A N 3.733 126.336 122.820 -0.362 0.000 3.248 437 A HA 0.529 4.849 4.320 -0.000 0.000 0.315 437 A C 0.042 177.727 177.584 0.169 0.000 0.974 437 A CA -0.777 51.203 52.037 -0.096 0.000 0.939 437 A CB -0.610 18.349 19.000 -0.068 0.000 1.061 437 A HN 0.926 nan 8.150 nan 0.000 0.481 438 F N 0.711 120.656 119.950 -0.008 0.000 2.797 438 F HA 0.351 4.878 4.527 -0.000 0.000 0.302 438 F C 1.586 177.388 175.800 0.002 0.000 1.130 438 F CA 0.466 58.473 58.000 0.012 0.000 1.387 438 F CB 0.446 39.479 39.000 0.055 0.000 1.107 438 F HN 0.661 nan 8.300 nan 0.000 0.577 439 G N 0.366 109.267 108.800 0.168 0.000 2.409 439 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.421 439 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.421 439 G C -1.134 173.812 174.900 0.076 0.000 1.259 439 G CA -0.848 44.307 45.100 0.092 0.000 1.011 439 G HN 0.069 nan 8.290 nan 0.000 0.497 440 S N -1.536 114.196 115.700 0.054 0.000 2.627 440 S HA 0.941 5.411 4.470 -0.000 0.000 0.283 440 S C -0.016 174.612 174.600 0.048 0.000 1.127 440 S CA 0.046 58.277 58.200 0.051 0.000 0.863 440 S CB 1.952 65.176 63.200 0.040 0.000 1.121 440 S HN 2.154 nan 8.310 nan 0.000 0.479 441 V N -0.925 119.021 119.914 0.054 0.000 3.203 441 V HA 0.811 4.931 4.120 -0.000 0.000 0.305 441 V C -2.017 174.114 176.094 0.063 0.000 1.361 441 V CA -1.047 61.288 62.300 0.058 0.000 1.066 441 V CB 1.708 33.569 31.823 0.064 0.000 1.085 441 V HN 0.696 nan 8.190 nan 0.000 0.456 442 L N 1.103 122.372 121.223 0.076 0.000 2.318 442 L HA 0.725 5.065 4.340 -0.000 0.000 0.277 442 L C 0.496 177.412 176.870 0.077 0.000 1.008 442 L CA 0.274 55.163 54.840 0.082 0.000 0.846 442 L CB 1.067 43.194 42.059 0.113 0.000 1.220 442 L HN 0.789 nan 8.230 nan 0.000 0.423 443 R N 1.083 121.616 120.500 0.054 0.000 2.350 443 R HA 0.182 4.522 4.340 -0.000 0.000 0.199 443 R C -0.246 176.064 176.300 0.017 0.000 0.876 443 R CA -0.441 55.680 56.100 0.036 0.000 1.062 443 R CB 0.277 30.600 30.300 0.038 0.000 1.263 443 R HN 0.617 nan 8.270 nan 0.000 0.641 444 D N 2.811 123.224 120.400 0.021 0.000 2.661 444 D HA -0.063 4.577 4.640 -0.000 0.000 0.244 444 D C -1.742 174.555 176.300 -0.006 0.000 1.196 444 D CA -0.657 53.349 54.000 0.010 0.000 0.881 444 D CB 1.139 41.949 40.800 0.015 0.000 1.141 444 D HN -0.015 nan 8.370 nan 0.000 0.530 445 P HA -0.121 nan 4.420 nan 0.000 0.218 445 P C 1.121 178.400 177.300 -0.035 0.000 1.149 445 P CA 1.188 64.264 63.100 -0.040 0.000 0.817 445 P CB 0.261 31.939 31.700 -0.036 0.000 0.785 446 K N -0.778 119.611 120.400 -0.019 0.000 2.147 446 K HA -0.060 4.260 4.320 -0.000 0.000 0.205 446 K C 1.822 178.415 176.600 -0.011 0.000 1.049 446 K CA 1.100 57.378 56.287 -0.015 0.000 0.936 446 K CB -0.577 31.917 32.500 -0.009 0.000 0.722 446 K HN 0.071 nan 8.250 nan 0.000 0.446 447 V N 1.455 121.367 119.914 -0.004 0.000 2.346 447 V HA -0.175 3.945 4.120 -0.000 0.000 0.244 447 V C 1.948 178.054 176.094 0.020 0.000 1.037 447 V CA 1.489 63.795 62.300 0.009 0.000 1.029 447 V CB -0.301 31.535 31.823 0.022 0.000 0.663 447 V HN 0.223 nan 8.190 nan 0.000 0.454 448 K N 0.133 120.536 120.400 0.004 0.000 2.103 448 K HA -0.262 4.058 4.320 -0.000 0.000 0.207 448 K C 2.165 178.732 176.600 -0.056 0.000 1.048 448 K CA 1.865 58.135 56.287 -0.029 0.000 0.930 448 K CB -0.156 32.228 32.500 -0.193 0.000 0.716 448 K HN 0.392 nan 8.250 nan 0.000 0.444 449 E N 0.856 121.022 120.200 -0.057 0.000 2.153 449 E HA -0.120 4.229 4.350 -0.000 0.000 0.194 449 E C 1.615 178.208 176.600 -0.011 0.000 0.988 449 E CA 1.211 57.584 56.400 -0.046 0.000 0.811 449 E CB -0.066 29.611 29.700 -0.039 0.000 0.746 449 E HN 0.313 nan 8.360 nan 0.000 0.466 450 A N -0.065 122.755 122.820 -0.001 0.000 2.172 450 A HA -0.016 4.304 4.320 -0.000 0.000 0.216 450 A C 1.806 179.399 177.584 0.015 0.000 1.154 450 A CA 0.654 52.693 52.037 0.003 0.000 0.701 450 A CB -0.320 18.676 19.000 -0.008 0.000 0.789 450 A HN 0.327 nan 8.150 nan 0.000 0.465 451 L N -0.423 120.826 121.223 0.043 0.000 2.592 451 L HA 0.107 4.447 4.340 -0.000 0.000 0.227 451 L C 1.161 178.078 176.870 0.078 0.000 1.127 451 L CA -0.222 54.658 54.840 0.066 0.000 0.884 451 L CB 0.027 42.196 42.059 0.183 0.000 1.065 451 L HN 0.308 nan 8.230 nan 0.000 0.457 452 S N 1.594 117.327 115.700 0.055 0.000 2.560 452 S HA 0.120 4.590 4.470 -0.000 0.000 0.284 452 S C -1.638 172.995 174.600 0.055 0.000 1.327 452 S CA -0.825 57.403 58.200 0.048 0.000 1.055 452 S CB 0.621 63.833 63.200 0.021 0.000 0.868 452 S HN 0.078 nan 8.310 nan 0.000 0.506 453 P HA 0.249 nan 4.420 nan 0.000 0.270 453 P C 0.219 177.548 177.300 0.049 0.000 1.754 453 P CA -0.349 62.780 63.100 0.048 0.000 1.202 453 P CB -0.631 31.095 31.700 0.042 0.000 1.592 454 I N -2.432 118.164 120.570 0.044 0.000 2.813 454 I HA 0.197 4.367 4.170 -0.000 0.000 0.287 454 I C 0.257 176.439 176.117 0.108 0.000 1.196 454 I CA -0.426 60.874 61.300 -0.000 0.000 1.421 454 I CB 0.640 38.572 38.000 -0.114 0.000 1.365 454 I HN -0.183 nan 8.210 nan 0.000 0.591 455 K N 4.372 124.785 120.400 0.021 0.000 2.298 455 K HA 0.336 4.656 4.320 -0.000 0.000 0.280 455 K C -1.339 175.300 176.600 0.065 0.000 1.032 455 K CA -0.366 55.965 56.287 0.073 0.000 0.958 455 K CB 0.575 33.064 32.500 -0.018 0.000 0.978 455 K HN 0.499 nan 8.250 nan 0.000 0.472 456 F N 2.557 122.460 119.950 -0.079 0.000 2.470 456 F HA 0.262 4.789 4.527 -0.000 0.000 0.329 456 F C 0.611 176.354 175.800 -0.095 0.000 1.072 456 F CA -0.728 57.228 58.000 -0.073 0.000 0.989 456 F CB 1.303 40.277 39.000 -0.044 0.000 1.193 456 F HN 0.667 nan 8.300 nan 0.000 0.481 457 N N 0.510 119.214 118.700 0.007 0.000 2.566 457 N HA 0.355 5.095 4.740 -0.000 0.000 0.299 457 N C 0.542 176.017 175.510 -0.058 0.000 1.277 457 N CA -0.655 52.320 53.050 -0.124 0.000 0.965 457 N CB 0.447 38.717 38.487 -0.363 0.000 1.142 457 N HN 0.432 nan 8.380 nan 0.000 0.596 458 R N -1.457 118.945 120.500 -0.163 0.000 2.193 458 R HA -0.034 4.306 4.340 -0.000 0.000 0.229 458 R C 0.535 176.923 176.300 0.146 0.000 1.110 458 R CA 1.111 57.192 56.100 -0.032 0.000 0.988 458 R CB -0.216 30.054 30.300 -0.051 0.000 0.871 458 R HN 0.604 nan 8.270 nan 0.000 0.458 459 W N 0.658 121.983 121.300 0.041 0.000 3.077 459 W HA 0.046 4.706 4.660 -0.000 0.000 0.245 459 W C -0.018 176.544 176.519 0.073 0.000 1.316 459 W CA -0.363 57.007 57.345 0.042 0.000 1.537 459 W CB -0.464 29.010 29.460 0.024 0.000 1.131 459 W HN 0.119 nan 8.180 nan 0.000 0.695 460 D N -0.336 120.240 120.400 0.293 0.000 2.947 460 D HA -0.162 4.478 4.640 -0.000 0.000 0.224 460 D C -0.505 176.063 176.300 0.446 0.000 1.132 460 D CA 0.822 55.004 54.000 0.303 0.000 0.801 460 D CB -1.471 39.446 40.800 0.196 0.000 1.097 460 D HN 0.087 nan 8.370 nan 0.000 0.431 461 L N -0.324 121.106 121.223 0.345 0.000 2.354 461 L HA 0.566 4.906 4.340 -0.000 0.000 0.264 461 L C -2.071 174.556 176.870 -0.405 0.000 1.008 461 L CA -2.106 52.796 54.840 0.103 0.000 0.819 461 L CB 2.194 44.345 42.059 0.154 0.000 1.339 461 L HN -0.258 nan 8.230 nan 0.000 0.420 462 P HA -0.022 nan 4.420 nan 0.000 0.264 462 P C -0.949 176.064 177.300 -0.479 0.000 1.193 462 P CA -0.010 62.471 63.100 -1.032 0.000 0.763 462 P CB 0.816 32.022 31.700 -0.824 0.000 0.810 463 E N 3.276 123.238 120.200 -0.398 0.000 2.259 463 E HA 0.374 4.724 4.350 -0.000 0.000 0.281 463 E C -0.656 175.800 176.600 -0.240 0.000 1.027 463 E CA -0.669 55.571 56.400 -0.267 0.000 0.838 463 E CB 0.551 30.117 29.700 -0.224 0.000 1.066 463 E HN 0.323 nan 8.360 nan 0.000 0.401 464 V N 1.239 121.038 119.914 -0.192 0.000 3.078 464 V HA 0.517 4.637 4.120 -0.000 0.000 0.311 464 V C -0.419 175.593 176.094 -0.136 0.000 1.138 464 V CA -1.189 61.007 62.300 -0.173 0.000 1.007 464 V CB 1.948 33.689 31.823 -0.135 0.000 1.045 464 V HN 0.700 nan 8.190 nan 0.000 0.432 465 D N 4.004 124.320 120.400 -0.141 0.000 2.371 465 D HA 0.266 4.906 4.640 -0.000 0.000 0.256 465 D C -1.390 174.859 176.300 -0.085 0.000 1.193 465 D CA -1.546 52.382 54.000 -0.120 0.000 0.881 465 D CB 2.114 42.826 40.800 -0.147 0.000 1.143 465 D HN 0.529 nan 8.370 nan 0.000 0.473 466 P HA -0.168 nan 4.420 nan 0.000 0.223 466 P C 0.831 178.118 177.300 -0.021 0.000 1.144 466 P CA 0.970 64.057 63.100 -0.022 0.000 0.783 466 P CB 0.586 32.280 31.700 -0.010 0.000 0.771 467 E N 0.511 120.670 120.200 -0.068 0.000 2.166 467 E HA -0.064 4.286 4.350 -0.000 0.000 0.192 467 E C 1.886 178.353 176.600 -0.222 0.000 0.967 467 E CA 1.594 57.940 56.400 -0.091 0.000 0.840 467 E CB -0.862 28.776 29.700 -0.102 0.000 0.795 467 E HN 0.201 nan 8.360 nan 0.000 0.470 468 T N -2.459 111.889 114.554 -0.344 0.000 3.037 468 T HA 0.151 4.501 4.350 -0.000 0.000 0.251 468 T C 0.799 175.551 174.700 0.086 0.000 1.079 468 T CA 0.466 62.272 62.100 -0.491 0.000 1.067 468 T CB 0.124 68.667 68.868 -0.541 0.000 0.948 468 T HN 0.092 nan 8.240 nan 0.000 0.496 469 M N -0.031 119.608 119.600 0.064 0.000 2.899 469 M HA -0.150 4.330 4.480 -0.000 0.000 0.195 469 M C 0.024 176.393 176.300 0.114 0.000 0.603 469 M CA 0.494 55.894 55.300 0.168 0.000 0.712 469 M CB -2.849 29.957 32.600 0.344 0.000 2.569 469 M HN 0.665 nan 8.290 nan 0.000 0.406 470 Q N 1.436 121.139 119.800 -0.161 0.000 2.261 470 Q HA 0.473 4.813 4.340 -0.000 0.000 0.252 470 Q C 0.793 176.506 176.000 -0.478 0.000 0.915 470 Q CA 0.348 55.728 55.803 -0.706 0.000 0.915 470 Q CB 1.360 29.636 28.738 -0.769 0.000 1.204 470 Q HN 0.465 nan 8.270 nan 0.000 0.421 471 T N -0.735 113.495 114.554 -0.541 0.000 2.833 471 T HA 0.133 4.483 4.350 -0.000 0.000 0.292 471 T C 1.303 175.809 174.700 -0.323 0.000 1.031 471 T CA -0.004 61.867 62.100 -0.381 0.000 0.937 471 T CB 0.630 69.269 68.868 -0.382 0.000 1.256 471 T HN 0.699 nan 8.240 nan 0.000 0.551 472 S N -0.697 114.860 115.700 -0.238 0.000 2.442 472 S HA -0.029 4.441 4.470 -0.000 0.000 0.236 472 S C 0.512 175.020 174.600 -0.154 0.000 1.007 472 S CA 0.382 58.483 58.200 -0.164 0.000 0.965 472 S CB -0.479 62.656 63.200 -0.109 0.000 0.773 472 S HN 0.696 nan 8.310 nan 0.000 0.504 473 E N 2.200 122.271 120.200 -0.216 0.000 2.081 473 E HA 0.312 4.662 4.350 -0.000 0.000 0.281 473 E C -2.007 174.413 176.600 -0.301 0.000 0.986 473 E CA -2.706 53.588 56.400 -0.177 0.000 0.796 473 E CB 1.316 30.884 29.700 -0.221 0.000 1.085 473 E HN 0.099 nan 8.360 nan 0.000 0.398 474 P HA -0.196 nan 4.420 nan 0.000 0.218 474 P C 1.135 178.047 177.300 -0.646 0.000 1.154 474 P CA 1.484 64.424 63.100 -0.266 0.000 0.872 474 P CB -0.036 31.697 31.700 0.055 0.000 0.790 475 W N -1.548 119.379 121.300 -0.621 0.000 3.256 475 W HA 0.293 4.953 4.660 -0.000 0.000 0.269 475 W C -0.834 175.587 176.519 -0.162 0.000 1.310 475 W CA 0.135 57.111 57.345 -0.616 0.000 1.673 475 W CB -0.807 28.559 29.460 -0.156 0.000 1.115 475 W HN -0.292 nan 8.180 nan 0.000 0.686 476 V N 2.641 122.078 119.914 -0.796 0.000 2.417 476 V HA 0.420 4.540 4.120 -0.000 0.000 0.291 476 V C -0.868 174.930 176.094 -0.493 0.000 1.024 476 V CA -0.460 61.438 62.300 -0.670 0.000 0.861 476 V CB 0.993 32.273 31.823 -0.905 0.000 0.985 476 V HN -0.190 nan 8.190 nan 0.000 0.436 477 F N 2.147 121.939 119.950 -0.263 0.000 2.579 477 F HA 0.918 5.445 4.527 -0.000 0.000 0.324 477 F C 0.370 175.979 175.800 -0.318 0.000 1.058 477 F CA -0.717 57.198 58.000 -0.141 0.000 0.944 477 F CB 2.138 41.208 39.000 0.117 0.000 1.245 477 F HN 0.596 nan 8.300 nan 0.000 0.477 478 A N 0.335 123.076 122.820 -0.132 0.000 2.556 478 A HA 0.959 5.279 4.320 -0.000 0.000 0.294 478 A C -0.754 176.722 177.584 -0.180 0.000 1.091 478 A CA -0.231 51.529 52.037 -0.462 0.000 0.704 478 A CB 1.796 20.589 19.000 -0.345 0.000 1.300 478 A HN 1.242 nan 8.150 nan 0.000 0.406 479 G N -1.245 107.415 108.800 -0.235 0.000 2.576 479 G HA2 0.830 4.790 3.960 -0.000 0.000 0.290 479 G HA3 0.830 4.790 3.960 -0.000 0.000 0.290 479 G C 0.113 175.108 174.900 0.159 0.000 1.442 479 G CA 0.636 45.848 45.100 0.187 0.000 0.792 479 G HN 2.638 nan 8.290 nan 0.000 0.491 480 G N 0.159 109.056 108.800 0.160 0.000 2.545 480 G HA2 -0.065 3.895 3.960 -0.000 0.000 0.216 480 G HA3 -0.065 3.895 3.960 -0.000 0.000 0.216 480 G C 0.507 175.446 174.900 0.065 0.000 1.314 480 G CA 0.750 45.921 45.100 0.119 0.000 0.906 480 G HN 0.863 nan 8.290 nan 0.000 0.563 481 D N -0.543 119.888 120.400 0.052 0.000 2.158 481 D HA -0.078 4.562 4.640 -0.000 0.000 0.197 481 D C 2.424 178.738 176.300 0.024 0.000 0.995 481 D CA 1.435 55.455 54.000 0.033 0.000 0.846 481 D CB -0.111 40.709 40.800 0.033 0.000 0.941 481 D HN 0.465 nan 8.370 nan 0.000 0.456 482 I N 0.062 120.638 120.570 0.010 0.000 2.423 482 I HA -0.205 3.965 4.170 -0.000 0.000 0.254 482 I C 1.830 177.939 176.117 -0.014 0.000 1.151 482 I CA 0.979 62.271 61.300 -0.014 0.000 1.421 482 I CB 0.075 38.035 38.000 -0.067 0.000 1.079 482 I HN -0.135 nan 8.210 nan 0.000 0.431 483 V N 0.736 120.652 119.914 0.002 0.000 3.129 483 V HA 0.159 4.279 4.120 -0.000 0.000 0.259 483 V C 1.932 178.105 176.094 0.133 0.000 1.116 483 V CA 1.029 63.350 62.300 0.035 0.000 1.127 483 V CB -0.926 30.918 31.823 0.034 0.000 0.742 483 V HN 0.689 nan 8.190 nan 0.000 0.474 484 G N -0.434 108.415 108.800 0.082 0.000 2.179 484 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.260 484 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.260 484 G C 0.705 175.594 174.900 -0.018 0.000 0.977 484 G CA 0.916 46.035 45.100 0.031 0.000 0.641 484 G HN 0.421 nan 8.290 nan 0.000 0.533 485 M N 0.103 119.738 119.600 0.058 0.000 2.557 485 M HA 0.427 4.907 4.480 -0.000 0.000 0.262 485 M C 1.830 178.140 176.300 0.017 0.000 1.168 485 M CA 1.000 56.328 55.300 0.047 0.000 1.194 485 M CB 0.190 32.852 32.600 0.102 0.000 1.311 485 M HN 0.457 nan 8.290 nan 0.000 0.489 486 A N 1.266 124.104 122.820 0.031 0.000 2.498 486 A HA 0.118 4.438 4.320 -0.000 0.000 0.239 486 A C 0.100 177.687 177.584 0.006 0.000 1.068 486 A CA 0.226 52.278 52.037 0.025 0.000 0.766 486 A CB -0.228 18.797 19.000 0.042 0.000 1.003 486 A HN 0.632 nan 8.150 nan 0.000 0.497 487 N N -0.836 117.866 118.700 0.003 0.000 2.143 487 N HA 0.135 4.875 4.740 -0.000 0.000 0.222 487 N C -0.404 175.106 175.510 0.001 0.000 1.264 487 N CA 0.544 53.591 53.050 -0.006 0.000 0.897 487 N CB 0.973 39.450 38.487 -0.016 0.000 1.092 487 N HN 0.832 nan 8.380 nan 0.000 0.516 488 T N -4.511 110.048 114.554 0.008 0.000 2.812 488 T HA 0.266 4.616 4.350 -0.000 0.000 0.294 488 T C 0.834 175.543 174.700 0.014 0.000 1.159 488 T CA -0.570 61.534 62.100 0.008 0.000 1.008 488 T CB 1.645 70.515 68.868 0.003 0.000 1.289 488 T HN -0.259 nan 8.240 nan 0.000 0.514 489 T N 0.622 115.182 114.554 0.009 0.000 2.737 489 T HA -0.088 4.262 4.350 -0.000 0.000 0.265 489 T C 2.007 176.712 174.700 0.009 0.000 1.038 489 T CA 1.370 63.475 62.100 0.010 0.000 1.144 489 T CB -0.347 68.520 68.868 -0.001 0.000 0.866 489 T HN 0.500 nan 8.240 nan 0.000 0.434 490 V N 1.422 121.336 119.914 -0.000 0.000 2.407 490 V HA -0.165 3.955 4.120 -0.000 0.000 0.248 490 V C 2.303 178.406 176.094 0.014 0.000 1.055 490 V CA 1.891 64.189 62.300 -0.002 0.000 1.049 490 V CB -0.408 31.410 31.823 -0.008 0.000 0.662 490 V HN 0.530 nan 8.190 nan 0.000 0.455 491 E N -0.456 119.757 120.200 0.020 0.000 2.150 491 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 491 E C 2.368 178.996 176.600 0.046 0.000 0.985 491 E CA 1.336 57.755 56.400 0.031 0.000 0.814 491 E CB -0.116 29.601 29.700 0.028 0.000 0.752 491 E HN 0.576 nan 8.360 nan 0.000 0.466 492 S N 0.294 116.024 115.700 0.050 0.000 2.368 492 S HA -0.101 4.369 4.470 -0.000 0.000 0.224 492 S C 2.166 176.813 174.600 0.078 0.000 1.029 492 S CA 0.631 58.876 58.200 0.076 0.000 0.988 492 S CB -0.005 63.239 63.200 0.073 0.000 0.838 492 S HN 0.059 nan 8.310 nan 0.000 0.462 493 V N 2.621 122.567 119.914 0.052 0.000 2.343 493 V HA -0.177 3.943 4.120 -0.000 0.000 0.247 493 V C 2.263 178.386 176.094 0.049 0.000 1.051 493 V CA 1.911 64.241 62.300 0.051 0.000 1.036 493 V CB -0.844 30.997 31.823 0.030 0.000 0.654 493 V HN 0.460 nan 8.190 nan 0.000 0.451 494 N N 0.315 119.036 118.700 0.034 0.000 2.188 494 N HA -0.170 4.570 4.740 -0.000 0.000 0.184 494 N C 1.493 177.015 175.510 0.019 0.000 1.018 494 N CA 1.490 54.547 53.050 0.011 0.000 0.858 494 N CB -0.225 38.271 38.487 0.016 0.000 0.989 494 N HN 0.401 nan 8.380 nan 0.000 0.426 495 D N -0.737 119.701 120.400 0.064 0.000 2.104 495 D HA -0.087 4.553 4.640 -0.000 0.000 0.194 495 D C 1.812 178.174 176.300 0.102 0.000 0.994 495 D CA 1.471 55.541 54.000 0.117 0.000 0.830 495 D CB -0.854 40.049 40.800 0.173 0.000 0.959 495 D HN 0.463 nan 8.370 nan 0.000 0.452 496 G N 0.399 109.214 108.800 0.024 0.000 2.408 496 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.217 496 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.217 496 G C 1.536 176.333 174.900 -0.172 0.000 1.150 496 G CA 0.865 45.828 45.100 -0.228 0.000 0.776 496 G HN 0.274 nan 8.290 nan 0.000 0.542 497 K N -0.176 120.157 120.400 -0.111 0.000 2.025 497 K HA -0.132 4.188 4.320 -0.000 0.000 0.207 497 K C 2.521 178.975 176.600 -0.242 0.000 1.049 497 K CA 1.624 57.705 56.287 -0.343 0.000 0.933 497 K CB -0.164 32.066 32.500 -0.450 0.000 0.714 497 K HN 0.275 nan 8.250 nan 0.000 0.438 498 Q N 0.535 120.290 119.800 -0.075 0.000 2.061 498 Q HA -0.115 4.225 4.340 -0.000 0.000 0.204 498 Q C 1.789 177.917 176.000 0.213 0.000 0.984 498 Q CA 2.200 58.053 55.803 0.083 0.000 0.846 498 Q CB -0.416 28.394 28.738 0.120 0.000 0.902 498 Q HN 0.423 nan 8.270 nan 0.000 0.421 499 A N -0.120 122.786 122.820 0.145 0.000 1.933 499 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 499 A C 2.253 179.802 177.584 -0.059 0.000 1.175 499 A CA 2.105 54.229 52.037 0.144 0.000 0.628 499 A CB -1.146 17.966 19.000 0.187 0.000 0.814 499 A HN 0.621 nan 8.150 nan 0.000 0.444 500 S N -1.280 114.361 115.700 -0.098 0.000 2.374 500 S HA -0.266 4.204 4.470 -0.000 0.000 0.227 500 S C 1.933 176.519 174.600 -0.023 0.000 1.037 500 S CA 1.367 59.510 58.200 -0.095 0.000 1.024 500 S CB -0.953 62.251 63.200 0.007 0.000 0.861 500 S HN 0.772 nan 8.310 nan 0.000 0.456 501 W N 1.297 122.521 121.300 -0.127 0.000 2.381 501 W HA -0.151 4.509 4.660 -0.000 0.000 0.301 501 W C 1.533 177.933 176.519 -0.198 0.000 1.205 501 W CA 1.180 58.427 57.345 -0.164 0.000 1.285 501 W CB -0.341 28.927 29.460 -0.319 0.000 1.133 501 W HN 0.393 nan 8.180 nan 0.000 0.521 502 Y N 0.276 120.550 120.300 -0.044 0.000 2.457 502 Y HA -0.072 4.478 4.550 -0.000 0.000 0.292 502 Y C 2.456 178.245 175.900 -0.185 0.000 1.125 502 Y CA 1.113 59.182 58.100 -0.051 0.000 1.254 502 Y CB -0.618 38.003 38.460 0.268 0.000 1.012 502 Y HN -0.158 nan 8.280 nan 0.000 0.555 503 I N -0.821 119.492 120.570 -0.428 0.000 2.286 503 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 503 I C 2.471 178.472 176.117 -0.194 0.000 1.104 503 I CA 1.460 62.415 61.300 -0.575 0.000 1.397 503 I CB -0.280 37.319 38.000 -0.668 0.000 1.072 503 I HN 0.267 nan 8.210 nan 0.000 0.417 504 H N 1.579 120.436 119.070 -0.355 0.000 2.321 504 H HA -0.226 4.330 4.556 -0.000 0.000 0.300 504 H C 2.212 177.362 175.328 -0.296 0.000 1.087 504 H CA 2.106 57.971 56.048 -0.306 0.000 1.319 504 H CB -0.074 29.485 29.762 -0.338 0.000 1.379 504 H HN 0.096 nan 8.280 nan 0.000 0.501 505 K N -1.029 119.027 120.400 -0.572 0.000 2.063 505 K HA -0.236 4.084 4.320 -0.000 0.000 0.208 505 K C 2.209 178.708 176.600 -0.168 0.000 1.048 505 K CA 1.593 57.593 56.287 -0.478 0.000 0.928 505 K CB -0.476 31.802 32.500 -0.370 0.000 0.713 505 K HN 0.389 nan 8.250 nan 0.000 0.442 506 Y N 1.501 121.767 120.300 -0.057 0.000 2.114 506 Y HA -0.221 4.329 4.550 -0.000 0.000 0.284 506 Y C 1.813 177.742 175.900 0.050 0.000 1.143 506 Y CA 1.844 59.996 58.100 0.087 0.000 1.135 506 Y CB -0.302 38.330 38.460 0.288 0.000 0.980 506 Y HN 0.017 nan 8.280 nan 0.000 0.499 507 I N 0.186 120.715 120.570 -0.069 0.000 2.127 507 I HA -0.374 3.796 4.170 -0.000 0.000 0.241 507 I C 2.467 178.523 176.117 -0.102 0.000 1.075 507 I CA 1.504 62.757 61.300 -0.079 0.000 1.334 507 I CB -0.598 37.419 38.000 0.029 0.000 1.040 507 I HN 0.338 nan 8.210 nan 0.000 0.405 508 Q N 0.614 120.284 119.800 -0.216 0.000 2.096 508 Q HA -0.207 4.133 4.340 -0.000 0.000 0.204 508 Q C 2.438 178.362 176.000 -0.128 0.000 0.982 508 Q CA 1.979 57.641 55.803 -0.235 0.000 0.850 508 Q CB -0.569 27.926 28.738 -0.405 0.000 0.901 508 Q HN 0.605 nan 8.270 nan 0.000 0.422 509 A N 0.951 123.667 122.820 -0.174 0.000 1.933 509 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 509 A C 2.037 179.534 177.584 -0.146 0.000 1.175 509 A CA 1.138 53.093 52.037 -0.137 0.000 0.628 509 A CB -0.298 18.622 19.000 -0.132 0.000 0.814 509 A HN 0.233 nan 8.150 nan 0.000 0.444 510 Q N -1.483 118.180 119.800 -0.229 0.000 2.291 510 Q HA -0.129 4.211 4.340 -0.000 0.000 0.206 510 Q C 0.500 176.383 176.000 -0.197 0.000 0.976 510 Q CA 1.172 56.829 55.803 -0.243 0.000 0.875 510 Q CB -0.259 28.286 28.738 -0.321 0.000 0.927 510 Q HN 0.870 nan 8.270 nan 0.000 0.450 511 Y N -0.709 119.497 120.300 -0.157 0.000 2.571 511 Y HA 0.282 4.832 4.550 -0.000 0.000 0.275 511 Y C 1.319 177.166 175.900 -0.088 0.000 1.179 511 Y CA 0.229 58.264 58.100 -0.108 0.000 1.242 511 Y CB 0.508 38.905 38.460 -0.105 0.000 1.126 511 Y HN 0.192 nan 8.280 nan 0.000 0.524 512 G N 0.278 109.083 108.800 0.008 0.000 2.160 512 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.251 512 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.251 512 G C 0.131 175.032 174.900 0.002 0.000 1.008 512 G CA 0.195 45.292 45.100 -0.005 0.000 0.724 512 G HN 0.646 nan 8.290 nan 0.000 0.514 513 A N -0.534 122.281 122.820 -0.008 0.000 2.356 513 A HA 0.962 5.282 4.320 -0.000 0.000 0.323 513 A C 0.381 177.933 177.584 -0.053 0.000 1.119 513 A CA 0.587 52.611 52.037 -0.022 0.000 0.790 513 A CB 1.496 20.479 19.000 -0.029 0.000 1.273 513 A HN 1.816 nan 8.150 nan 0.000 0.452 514 S N -0.110 115.571 115.700 -0.032 0.000 2.718 514 S HA 0.828 5.298 4.470 -0.000 0.000 0.300 514 S C -0.020 174.558 174.600 -0.036 0.000 1.117 514 S CA 0.021 58.201 58.200 -0.033 0.000 1.002 514 S CB 1.138 64.342 63.200 0.008 0.000 1.092 514 S HN 2.014 nan 8.310 nan 0.000 0.542 515 V N -1.378 118.523 119.914 -0.022 0.000 3.001 515 V HA 0.814 4.934 4.120 -0.000 0.000 0.314 515 V C 0.096 176.293 176.094 0.172 0.000 1.099 515 V CA -0.820 61.504 62.300 0.040 0.000 0.989 515 V CB 1.121 32.858 31.823 -0.143 0.000 1.040 515 V HN 1.255 nan 8.190 nan 0.000 0.434 516 S N 1.761 117.627 115.700 0.276 0.000 2.558 516 S HA 0.310 4.780 4.470 -0.000 0.000 0.291 516 S C 1.340 176.104 174.600 0.272 0.000 1.306 516 S CA 0.168 58.516 58.200 0.248 0.000 1.056 516 S CB 0.822 64.166 63.200 0.240 0.000 0.836 516 S HN 1.981 nan 8.310 nan 0.000 0.504 517 A N 2.252 125.174 122.820 0.169 0.000 1.969 517 A HA 0.016 4.336 4.320 -0.000 0.000 0.218 517 A C 1.156 178.810 177.584 0.117 0.000 1.169 517 A CA 1.128 53.256 52.037 0.151 0.000 0.635 517 A CB -0.330 18.730 19.000 0.100 0.000 0.810 517 A HN 0.844 nan 8.150 nan 0.000 0.445 518 K N 0.879 121.312 120.400 0.056 0.000 2.227 518 K HA 0.364 4.684 4.320 -0.000 0.000 0.280 518 K C -2.902 173.554 176.600 -0.241 0.000 1.041 518 K CA -2.449 53.801 56.287 -0.062 0.000 0.905 518 K CB 0.795 33.266 32.500 -0.048 0.000 1.068 518 K HN -0.037 nan 8.250 nan 0.000 0.470 519 P HA -0.069 nan 4.420 nan 0.000 0.262 519 P C -1.228 175.521 177.300 -0.919 0.000 1.182 519 P CA 0.499 62.775 63.100 -1.373 0.000 0.761 519 P CB 0.384 31.387 31.700 -1.161 0.000 0.795 520 E N 2.888 122.463 120.200 -1.040 0.000 3.786 520 E HA 0.181 4.531 4.350 -0.000 0.000 0.215 520 E C -0.382 176.193 176.600 -0.041 0.000 1.188 520 E CA -0.313 55.919 56.400 -0.280 0.000 1.248 520 E CB 0.276 29.979 29.700 0.005 0.000 1.260 520 E HN 0.392 nan 8.360 nan 0.000 0.426 521 L N 2.347 123.514 121.223 -0.094 0.000 2.410 521 L HA 0.224 4.564 4.340 -0.000 0.000 0.273 521 L C -1.912 175.070 176.870 0.187 0.000 1.152 521 L CA -1.619 53.302 54.840 0.136 0.000 0.855 521 L CB -0.116 41.966 42.059 0.038 0.000 1.129 521 L HN 0.012 nan 8.230 nan 0.000 0.463 522 P HA 0.167 nan 4.420 nan 0.000 0.272 522 P C -0.272 177.183 177.300 0.260 0.000 1.230 522 P CA -0.345 62.907 63.100 0.252 0.000 0.788 522 P CB 0.628 32.471 31.700 0.239 0.000 0.949 523 L N 0.400 121.750 121.223 0.211 0.000 2.543 523 L HA 0.381 4.721 4.340 -0.000 0.000 0.231 523 L C 0.550 177.395 176.870 -0.041 0.000 1.194 523 L CA -0.638 54.212 54.840 0.016 0.000 0.823 523 L CB 0.011 41.944 42.059 -0.211 0.000 1.374 523 L HN 0.279 nan 8.230 nan 0.000 0.507 524 F N 0.010 119.759 119.950 -0.335 0.000 2.408 524 F HA 0.441 4.968 4.527 -0.000 0.000 0.344 524 F C -0.847 174.680 175.800 -0.454 0.000 1.112 524 F CA -0.361 57.481 58.000 -0.263 0.000 1.096 524 F CB 0.458 39.345 39.000 -0.188 0.000 1.129 524 F HN 0.040 nan 8.300 nan 0.000 0.486 525 Y N 2.457 122.421 120.300 -0.560 0.000 2.536 525 Y HA 0.618 5.168 4.550 -0.000 0.000 0.347 525 Y C 0.223 175.809 175.900 -0.524 0.000 1.000 525 Y CA -0.737 57.133 58.100 -0.383 0.000 1.051 525 Y CB 2.253 40.590 38.460 -0.204 0.000 1.259 525 Y HN 0.676 nan 8.280 nan 0.000 0.468 526 T N -2.461 112.056 114.554 -0.061 0.000 2.812 526 T HA 0.399 4.749 4.350 -0.000 0.000 0.294 526 T C -2.669 171.995 174.700 -0.060 0.000 1.159 526 T CA -2.403 59.657 62.100 -0.067 0.000 1.008 526 T CB 1.909 70.829 68.868 0.086 0.000 1.289 526 T HN 0.196 nan 8.240 nan 0.000 0.514 527 P HA 0.001 nan 4.420 nan 0.000 0.221 527 P C 1.662 178.825 177.300 -0.228 0.000 1.145 527 P CA 0.403 63.434 63.100 -0.115 0.000 0.795 527 P CB -0.121 31.558 31.700 -0.035 0.000 0.775 528 V N 0.511 120.130 119.914 -0.492 0.000 2.392 528 V HA -0.240 3.880 4.120 -0.000 0.000 0.249 528 V C 1.726 177.705 176.094 -0.191 0.000 1.059 528 V CA 2.039 63.986 62.300 -0.589 0.000 1.051 528 V CB -1.188 30.016 31.823 -1.031 0.000 0.658 528 V HN 0.161 nan 8.190 nan 0.000 0.455 529 D N 0.080 120.457 120.400 -0.038 0.000 2.351 529 D HA -0.083 4.557 4.640 -0.000 0.000 0.216 529 D C 1.837 178.174 176.300 0.061 0.000 0.968 529 D CA 0.940 54.993 54.000 0.088 0.000 0.899 529 D CB -0.057 40.872 40.800 0.215 0.000 0.907 529 D HN 0.399 nan 8.370 nan 0.000 0.514 530 L N 0.284 121.521 121.223 0.023 0.000 2.509 530 L HA 0.054 4.394 4.340 -0.000 0.000 0.222 530 L C 0.560 177.455 176.870 0.041 0.000 1.123 530 L CA -0.080 54.776 54.840 0.027 0.000 0.856 530 L CB 0.211 42.279 42.059 0.015 0.000 0.985 530 L HN -0.219 nan 8.230 nan 0.000 0.456 531 V N 1.234 121.176 119.914 0.048 0.000 2.599 531 V HA -0.101 4.019 4.120 -0.000 0.000 0.300 531 V C 0.381 176.512 176.094 0.061 0.000 1.034 531 V CA 0.140 62.479 62.300 0.066 0.000 1.115 531 V CB 0.557 32.428 31.823 0.079 0.000 0.934 531 V HN 0.139 nan 8.190 nan 0.000 0.485 532 D N 5.298 125.731 120.400 0.055 0.000 2.317 532 D HA 0.206 4.846 4.640 -0.000 0.000 0.252 532 D C 0.533 176.866 176.300 0.055 0.000 1.174 532 D CA -0.295 53.736 54.000 0.052 0.000 0.866 532 D CB 1.065 41.889 40.800 0.040 0.000 1.127 532 D HN 0.610 nan 8.370 nan 0.000 0.467 533 I N 1.009 121.620 120.570 0.068 0.000 3.762 533 I HA 0.198 4.368 4.170 -0.000 0.000 0.333 533 I C 0.358 176.511 176.117 0.060 0.000 1.566 533 I CA -0.749 60.590 61.300 0.066 0.000 1.129 533 I CB 0.148 38.210 38.000 0.103 0.000 1.218 533 I HN 0.065 nan 8.210 nan 0.000 0.456 534 S N 0.894 116.630 115.700 0.061 0.000 2.632 534 S HA 0.694 5.164 4.470 -0.000 0.000 0.267 534 S C -0.300 174.332 174.600 0.054 0.000 1.276 534 S CA -0.458 57.787 58.200 0.076 0.000 0.998 534 S CB 2.504 65.748 63.200 0.073 0.000 0.953 534 S HN 0.317 nan 8.310 nan 0.000 0.547 535 V N 0.469 120.432 119.914 0.081 0.000 3.048 535 V HA 0.520 4.640 4.120 -0.000 0.000 0.303 535 V C -1.690 174.479 176.094 0.124 0.000 1.214 535 V CA -0.667 61.659 62.300 0.044 0.000 0.984 535 V CB 2.176 33.964 31.823 -0.058 0.000 1.054 535 V HN 1.092 nan 8.190 nan 0.000 0.430 536 E N 5.143 125.391 120.200 0.081 0.000 2.183 536 E HA 0.644 4.994 4.350 -0.000 0.000 0.271 536 E C -0.918 175.732 176.600 0.082 0.000 0.919 536 E CA -0.632 55.840 56.400 0.120 0.000 0.781 536 E CB 2.245 31.986 29.700 0.068 0.000 1.140 536 E HN 0.681 nan 8.360 nan 0.000 0.402 537 M N 1.674 121.367 119.600 0.155 0.000 2.284 537 M HA 0.383 4.863 4.480 -0.000 0.000 0.281 537 M C -1.192 175.197 176.300 0.150 0.000 1.083 537 M CA -0.083 55.262 55.300 0.075 0.000 0.965 537 M CB 1.676 34.226 32.600 -0.083 0.000 1.717 537 M HN 0.716 nan 8.290 nan 0.000 0.479 538 A N 2.980 125.858 122.820 0.097 0.000 2.783 538 A HA -0.016 4.304 4.320 -0.000 0.000 0.292 538 A C 1.177 178.818 177.584 0.094 0.000 1.495 538 A CA 1.687 53.794 52.037 0.117 0.000 0.787 538 A CB -2.615 16.537 19.000 0.253 0.000 1.017 538 A HN 2.524 nan 8.150 nan 0.000 0.516 539 G N -3.067 105.775 108.800 0.070 0.000 2.184 539 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.264 539 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.264 539 G C 0.103 175.023 174.900 0.032 0.000 0.975 539 G CA 0.654 45.781 45.100 0.044 0.000 0.642 539 G HN 1.490 nan 8.290 nan 0.000 0.536 540 L N -0.057 121.203 121.223 0.061 0.000 2.322 540 L HA 0.578 4.918 4.340 -0.000 0.000 0.279 540 L C 0.356 177.199 176.870 -0.044 0.000 1.036 540 L CA -0.861 53.949 54.840 -0.049 0.000 0.807 540 L CB 1.566 43.554 42.059 -0.117 0.000 1.226 540 L HN -0.024 nan 8.230 nan 0.000 0.433 541 K N 2.969 123.266 120.400 -0.171 0.000 2.293 541 K HA 0.502 4.822 4.320 -0.000 0.000 0.267 541 K C -1.404 175.085 176.600 -0.184 0.000 1.010 541 K CA -0.362 55.886 56.287 -0.064 0.000 0.875 541 K CB 1.285 33.763 32.500 -0.037 0.000 1.106 541 K HN 0.196 nan 8.250 nan 0.000 0.450 542 F N 3.159 123.098 119.950 -0.020 0.000 2.436 542 F HA 0.255 4.782 4.527 -0.000 0.000 0.340 542 F C 1.674 177.493 175.800 0.032 0.000 1.113 542 F CA -1.131 56.875 58.000 0.010 0.000 1.022 542 F CB 0.804 39.797 39.000 -0.011 0.000 1.128 542 F HN 0.476 nan 8.300 nan 0.000 0.466 543 I N 0.072 120.757 120.570 0.191 0.000 2.493 543 I HA -0.036 4.134 4.170 -0.000 0.000 0.254 543 I C -0.137 176.079 176.117 0.164 0.000 1.160 543 I CA 0.742 62.124 61.300 0.137 0.000 1.445 543 I CB -0.366 37.689 38.000 0.093 0.000 1.086 543 I HN 0.656 nan 8.210 nan 0.000 0.433 544 N N -0.463 118.375 118.700 0.230 0.000 2.591 544 N HA 0.375 5.115 4.740 -0.000 0.000 0.263 544 N C -2.616 173.014 175.510 0.201 0.000 1.308 544 N CA -1.679 51.496 53.050 0.208 0.000 0.837 544 N CB 0.998 39.644 38.487 0.266 0.000 1.548 544 N HN -0.286 nan 8.380 nan 0.000 0.493 545 P HA 0.138 nan 4.420 nan 0.000 0.245 545 P C -0.871 176.337 177.300 -0.154 0.000 1.212 545 P CA 0.352 63.318 63.100 -0.223 0.000 0.774 545 P CB -0.188 31.242 31.700 -0.451 0.000 0.999 546 F N 0.823 120.912 119.950 0.231 0.000 2.408 546 F HA 0.632 5.159 4.527 -0.000 0.000 0.344 546 F C 1.319 177.211 175.800 0.153 0.000 1.112 546 F CA -0.321 57.795 58.000 0.192 0.000 1.096 546 F CB 1.584 40.615 39.000 0.052 0.000 1.129 546 F HN -0.140 nan 8.300 nan 0.000 0.486 547 G N 2.689 111.441 108.800 -0.081 0.000 2.672 547 G HA2 0.633 4.593 3.960 -0.000 0.000 0.292 547 G HA3 0.633 4.593 3.960 -0.000 0.000 0.292 547 G C -1.704 172.916 174.900 -0.466 0.000 1.375 547 G CA -0.998 43.547 45.100 -0.924 0.000 0.890 547 G HN 0.522 nan 8.290 nan 0.000 0.476 548 L N 1.387 122.272 121.223 -0.562 0.000 2.319 548 L HA 0.524 4.864 4.340 -0.000 0.000 0.280 548 L C 1.136 177.859 176.870 -0.244 0.000 1.099 548 L CA -0.631 53.919 54.840 -0.484 0.000 0.828 548 L CB 1.251 42.969 42.059 -0.568 0.000 1.150 548 L HN 0.674 nan 8.230 nan 0.000 0.442 549 A N 2.764 125.500 122.820 -0.141 0.000 2.346 549 A HA 0.212 4.532 4.320 -0.000 0.000 0.252 549 A C 0.473 178.028 177.584 -0.048 0.000 1.089 549 A CA -0.263 51.745 52.037 -0.047 0.000 0.797 549 A CB 0.584 19.568 19.000 -0.027 0.000 1.047 549 A HN 0.651 nan 8.150 nan 0.000 0.494 550 S N 0.052 115.742 115.700 -0.016 0.000 2.466 550 S HA 0.495 4.965 4.470 -0.000 0.000 0.286 550 S C 0.132 174.714 174.600 -0.031 0.000 1.221 550 S CA 0.525 58.704 58.200 -0.035 0.000 1.091 550 S CB -1.054 62.129 63.200 -0.028 0.000 0.956 550 S HN 2.063 nan 8.310 nan 0.000 0.501 551 A N 4.119 126.919 122.820 -0.032 0.000 2.526 551 A HA 0.740 5.060 4.320 -0.000 0.000 0.306 551 A C 0.830 178.403 177.584 -0.018 0.000 1.088 551 A CA -0.126 51.896 52.037 -0.025 0.000 0.600 551 A CB -0.593 18.384 19.000 -0.039 0.000 1.423 551 A HN 1.312 nan 8.150 nan 0.000 0.582 552 A N -0.510 122.287 122.820 -0.040 0.000 1.948 552 A HA 0.058 4.378 4.320 -0.000 0.000 0.220 552 A C -0.479 177.084 177.584 -0.035 0.000 1.177 552 A CA 2.630 54.641 52.037 -0.043 0.000 0.636 552 A CB -1.728 17.213 19.000 -0.099 0.000 0.815 552 A HN 0.481 nan 8.150 nan 0.000 0.449 553 P HA -0.038 nan 4.420 nan 0.000 0.230 553 P C 0.733 178.082 177.300 0.083 0.000 1.158 553 P CA 1.670 64.765 63.100 -0.009 0.000 0.769 553 P CB -0.024 31.659 31.700 -0.028 0.000 0.807 554 T N -6.599 107.982 114.554 0.046 0.000 3.293 554 T HA 0.184 4.534 4.350 -0.000 0.000 0.276 554 T C 1.113 175.952 174.700 0.233 0.000 1.003 554 T CA -0.227 61.930 62.100 0.094 0.000 0.916 554 T CB -0.946 67.924 68.868 0.004 0.000 1.134 554 T HN -0.168 nan 8.240 nan 0.000 0.530 555 T N 2.186 116.853 114.554 0.188 0.000 2.759 555 T HA 0.022 4.372 4.350 -0.000 0.000 0.269 555 T C 0.676 175.564 174.700 0.315 0.000 1.042 555 T CA 0.992 63.225 62.100 0.221 0.000 1.140 555 T CB -0.044 68.880 68.868 0.094 0.000 0.864 555 T HN 0.519 nan 8.240 nan 0.000 0.455 556 S N -0.034 115.815 115.700 0.247 0.000 2.548 556 S HA 0.359 4.829 4.470 -0.000 0.000 0.286 556 S C 1.173 175.874 174.600 0.169 0.000 1.098 556 S CA -0.654 57.639 58.200 0.155 0.000 0.930 556 S CB 2.027 65.263 63.200 0.060 0.000 1.070 556 S HN 0.370 nan 8.310 nan 0.000 0.480 557 S N 1.381 117.097 115.700 0.027 0.000 2.419 557 S HA -0.142 4.328 4.470 -0.000 0.000 0.233 557 S C 1.909 176.484 174.600 -0.043 0.000 1.016 557 S CA 1.314 59.503 58.200 -0.018 0.000 0.974 557 S CB -0.661 62.381 63.200 -0.264 0.000 0.786 557 S HN 0.805 nan 8.310 nan 0.000 0.492 558 S N 2.014 117.707 115.700 -0.011 0.000 2.423 558 S HA -0.007 4.462 4.470 -0.000 0.000 0.231 558 S C 1.864 176.461 174.600 -0.006 0.000 1.014 558 S CA 1.129 59.327 58.200 -0.003 0.000 0.965 558 S CB -0.711 62.502 63.200 0.022 0.000 0.785 558 S HN 0.534 nan 8.310 nan 0.000 0.495 559 M N 0.802 120.416 119.600 0.023 0.000 2.200 559 M HA 0.186 4.666 4.480 -0.000 0.000 0.265 559 M C 2.065 178.246 176.300 -0.198 0.000 1.066 559 M CA 1.190 56.539 55.300 0.081 0.000 1.127 559 M CB -0.503 32.220 32.600 0.205 0.000 1.379 559 M HN 0.279 nan 8.290 nan 0.000 0.420 560 I N -0.292 120.110 120.570 -0.281 0.000 2.252 560 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 560 I C 2.669 178.280 176.117 -0.844 0.000 1.102 560 I CA 1.178 62.095 61.300 -0.637 0.000 1.385 560 I CB -0.486 37.201 38.000 -0.522 0.000 1.064 560 I HN 0.313 nan 8.210 nan 0.000 0.414 561 R N 1.440 121.654 120.500 -0.477 0.000 2.083 561 R HA -0.187 4.153 4.340 -0.000 0.000 0.237 561 R C 2.449 178.556 176.300 -0.321 0.000 1.137 561 R CA 1.659 57.543 56.100 -0.360 0.000 0.951 561 R CB -0.170 30.120 30.300 -0.016 0.000 0.851 561 R HN 0.254 nan 8.270 nan 0.000 0.434 562 R N -0.220 120.155 120.500 -0.209 0.000 2.120 562 R HA -0.072 4.268 4.340 -0.000 0.000 0.234 562 R C 2.311 178.457 176.300 -0.256 0.000 1.123 562 R CA 1.199 57.235 56.100 -0.106 0.000 0.975 562 R CB -0.259 30.078 30.300 0.062 0.000 0.866 562 R HN 0.320 nan 8.270 nan 0.000 0.446 563 A N 0.745 123.152 122.820 -0.689 0.000 1.898 563 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 563 A C 1.740 179.283 177.584 -0.069 0.000 1.181 563 A CA 1.053 52.621 52.037 -0.782 0.000 0.620 563 A CB -0.419 17.704 19.000 -1.462 0.000 0.819 563 A HN 0.142 nan 8.150 nan 0.000 0.442 564 F N 0.375 120.105 119.950 -0.365 0.000 2.186 564 F HA -0.049 4.478 4.527 -0.000 0.000 0.299 564 F C 2.333 178.006 175.800 -0.212 0.000 1.090 564 F CA 1.044 58.821 58.000 -0.371 0.000 1.307 564 F CB -1.059 37.357 39.000 -0.973 0.000 1.019 564 F HN 0.365 nan 8.300 nan 0.000 0.489 565 E N -0.133 120.076 120.200 0.015 0.000 2.153 565 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 565 E C 2.329 179.011 176.600 0.136 0.000 0.988 565 E CA 0.993 57.485 56.400 0.153 0.000 0.811 565 E CB -0.225 29.573 29.700 0.164 0.000 0.746 565 E HN 0.302 nan 8.360 nan 0.000 0.466 566 A N -0.034 122.861 122.820 0.126 0.000 2.014 566 A HA 0.096 4.416 4.320 -0.000 0.000 0.218 566 A C 1.891 179.523 177.584 0.079 0.000 1.163 566 A CA 1.410 53.524 52.037 0.129 0.000 0.652 566 A CB -0.060 19.066 19.000 0.209 0.000 0.808 566 A HN 0.384 nan 8.150 nan 0.000 0.449 567 G N -3.803 105.068 108.800 0.118 0.000 2.273 567 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.162 567 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.162 567 G C -0.241 174.691 174.900 0.054 0.000 1.006 567 G CA -0.361 44.771 45.100 0.053 0.000 0.704 567 G HN 0.293 nan 8.290 nan 0.000 0.487 568 W N 1.200 122.546 121.300 0.077 0.000 2.295 568 W HA 0.449 5.109 4.660 -0.000 0.000 0.335 568 W C 1.597 178.211 176.519 0.158 0.000 1.351 568 W CA 1.095 58.513 57.345 0.121 0.000 1.273 568 W CB 0.851 30.351 29.460 0.066 0.000 1.214 568 W HN 0.200 nan 8.180 nan 0.000 0.563 569 G N 2.712 111.756 108.800 0.408 0.000 2.418 569 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.217 569 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.217 569 G C -0.075 175.122 174.900 0.494 0.000 1.158 569 G CA 0.935 46.280 45.100 0.408 0.000 0.771 569 G HN 0.536 nan 8.290 nan 0.000 0.545 570 F N -2.458 117.756 119.950 0.439 0.000 2.745 570 F HA 0.809 5.336 4.527 -0.000 0.000 0.316 570 F C -0.683 175.422 175.800 0.509 0.000 1.155 570 F CA -1.286 56.976 58.000 0.436 0.000 0.937 570 F CB 1.271 40.550 39.000 0.464 0.000 1.361 570 F HN 0.249 nan 8.300 nan 0.000 0.472 571 A N 1.586 124.719 122.820 0.522 0.000 2.604 571 A HA 0.696 5.016 4.320 -0.000 0.000 0.295 571 A C -2.337 175.395 177.584 0.247 0.000 1.067 571 A CA -0.753 51.371 52.037 0.146 0.000 0.683 571 A CB 1.729 20.670 19.000 -0.098 0.000 1.281 571 A HN 0.788 nan 8.150 nan 0.000 0.407 572 L N 2.050 123.338 121.223 0.109 0.000 2.325 572 L HA 0.582 4.922 4.340 -0.000 0.000 0.278 572 L C 1.079 177.937 176.870 -0.020 0.000 1.023 572 L CA -0.147 54.758 54.840 0.108 0.000 0.811 572 L CB 1.683 43.800 42.059 0.097 0.000 1.249 572 L HN 1.068 nan 8.230 nan 0.000 0.431 573 T N -0.101 114.404 114.554 -0.082 0.000 2.828 573 T HA 0.239 4.589 4.350 -0.000 0.000 0.290 573 T C 0.166 174.605 174.700 -0.436 0.000 1.019 573 T CA -0.701 61.160 62.100 -0.398 0.000 1.031 573 T CB 1.344 69.841 68.868 -0.619 0.000 1.001 573 T HN 0.374 nan 8.240 nan 0.000 0.531 574 K N 0.956 120.983 120.400 -0.621 0.000 2.380 574 K HA 0.183 4.503 4.320 -0.000 0.000 0.267 574 K C 0.045 176.455 176.600 -0.318 0.000 0.990 574 K CA 0.130 56.253 56.287 -0.274 0.000 0.946 574 K CB -0.166 32.325 32.500 -0.015 0.000 0.937 574 K HN 0.737 nan 8.250 nan 0.000 0.491 575 T N 5.095 119.562 114.554 -0.144 0.000 2.867 575 T HA 0.217 4.567 4.350 -0.000 0.000 0.297 575 T C -0.240 174.426 174.700 -0.057 0.000 0.989 575 T CA 0.259 62.274 62.100 -0.142 0.000 1.159 575 T CB -0.534 68.282 68.868 -0.086 0.000 0.928 575 T HN 0.425 nan 8.240 nan 0.000 0.538 576 F N 0.648 120.477 119.950 -0.202 0.000 2.618 576 F HA 0.886 5.413 4.527 -0.000 0.000 0.332 576 F C 0.167 175.931 175.800 -0.060 0.000 1.061 576 F CA -1.247 56.702 58.000 -0.086 0.000 0.974 576 F CB 1.335 40.317 39.000 -0.030 0.000 1.310 576 F HN 0.546 nan 8.300 nan 0.000 0.491 577 S N 0.563 116.383 115.700 0.200 0.000 2.794 577 S HA 0.681 5.151 4.470 -0.000 0.000 0.299 577 S C -1.017 173.646 174.600 0.106 0.000 1.179 577 S CA -1.137 57.074 58.200 0.019 0.000 0.838 577 S CB 1.049 64.216 63.200 -0.054 0.000 1.206 577 S HN 0.852 nan 8.310 nan 0.000 0.523 578 L N 1.362 122.584 121.223 -0.001 0.000 2.473 578 L HA 0.236 4.576 4.340 -0.000 0.000 0.268 578 L C 0.995 177.883 176.870 0.031 0.000 1.215 578 L CA -0.370 54.480 54.840 0.017 0.000 0.823 578 L CB 0.063 42.096 42.059 -0.043 0.000 1.099 578 L HN 0.726 nan 8.230 nan 0.000 0.483 579 D N 0.352 120.773 120.400 0.035 0.000 2.158 579 D HA -0.193 4.447 4.640 -0.000 0.000 0.197 579 D C 1.891 178.199 176.300 0.013 0.000 0.995 579 D CA 1.530 55.548 54.000 0.030 0.000 0.846 579 D CB 0.018 40.831 40.800 0.023 0.000 0.941 579 D HN 0.528 nan 8.370 nan 0.000 0.456 580 K N 0.056 120.456 120.400 -0.000 0.000 2.362 580 K HA -0.077 4.243 4.320 -0.000 0.000 0.200 580 K C 0.322 176.919 176.600 -0.006 0.000 1.046 580 K CA 1.097 57.380 56.287 -0.006 0.000 0.952 580 K CB 0.174 32.665 32.500 -0.015 0.000 0.753 580 K HN 0.011 nan 8.250 nan 0.000 0.466 581 D N 0.993 121.388 120.400 -0.008 0.000 2.388 581 D HA 0.085 4.725 4.640 -0.000 0.000 0.221 581 D C 0.018 176.324 176.300 0.011 0.000 1.133 581 D CA -0.385 53.610 54.000 -0.008 0.000 0.831 581 D CB 0.013 40.792 40.800 -0.035 0.000 0.962 581 D HN 0.144 nan 8.370 nan 0.000 0.502 582 I N 2.107 122.689 120.570 0.021 0.000 2.845 582 I HA -0.127 4.043 4.170 -0.000 0.000 0.296 582 I C 0.126 176.258 176.117 0.026 0.000 1.216 582 I CA 0.056 61.376 61.300 0.032 0.000 1.438 582 I CB 0.509 38.525 38.000 0.027 0.000 1.342 582 I HN -0.145 nan 8.210 nan 0.000 0.577 583 V N 3.914 123.848 119.914 0.034 0.000 3.103 583 V HA 0.810 4.930 4.120 -0.000 0.000 0.318 583 V C -0.243 175.865 176.094 0.023 0.000 1.114 583 V CA -0.444 61.873 62.300 0.029 0.000 1.020 583 V CB 1.893 33.737 31.823 0.036 0.000 1.085 583 V HN 0.768 nan 8.190 nan 0.000 0.446 584 T N 2.582 117.147 114.554 0.018 0.000 2.949 584 T HA 0.443 4.793 4.350 -0.000 0.000 0.300 584 T C -0.510 174.196 174.700 0.011 0.000 0.988 584 T CA -0.438 61.669 62.100 0.011 0.000 0.993 584 T CB 0.817 69.687 68.868 0.004 0.000 0.984 584 T HN 0.822 nan 8.240 nan 0.000 0.442 585 N N 1.688 120.393 118.700 0.009 0.000 2.444 585 N HA 0.422 5.162 4.740 -0.000 0.000 0.255 585 N C 0.418 175.923 175.510 -0.008 0.000 1.255 585 N CA -0.280 52.773 53.050 0.005 0.000 0.933 585 N CB 1.092 39.581 38.487 0.003 0.000 1.143 585 N HN 0.529 nan 8.380 nan 0.000 0.453 586 V N -1.985 117.918 119.914 -0.018 0.000 3.267 586 V HA 0.883 5.003 4.120 -0.000 0.000 0.317 586 V C 0.054 176.122 176.094 -0.042 0.000 1.131 586 V CA -0.820 61.462 62.300 -0.030 0.000 1.031 586 V CB 1.480 33.279 31.823 -0.040 0.000 1.159 586 V HN 0.788 nan 8.190 nan 0.000 0.454 587 S N -0.007 115.665 115.700 -0.047 0.000 2.533 587 S HA 0.707 5.177 4.470 -0.000 0.000 0.271 587 S C -2.900 171.662 174.600 -0.062 0.000 1.143 587 S CA -0.955 57.211 58.200 -0.056 0.000 0.891 587 S CB 1.448 64.632 63.200 -0.027 0.000 1.105 587 S HN 1.044 nan 8.310 nan 0.000 0.468 588 P HA 0.427 nan 4.420 nan 0.000 0.274 588 P C -0.207 176.963 177.300 -0.217 0.000 1.237 588 P CA -0.578 62.421 63.100 -0.169 0.000 0.793 588 P CB 0.714 32.235 31.700 -0.298 0.000 0.977 589 R N 0.022 120.411 120.500 -0.186 0.000 2.551 589 R HA 0.413 4.753 4.340 -0.000 0.000 0.316 589 R C 0.065 176.273 176.300 -0.153 0.000 0.934 589 R CA -0.184 55.812 56.100 -0.172 0.000 1.117 589 R CB 0.153 30.391 30.300 -0.104 0.000 1.626 589 R HN 0.271 nan 8.270 nan 0.000 0.513 590 I N 2.792 123.286 120.570 -0.127 0.000 2.468 590 I HA 0.386 4.556 4.170 -0.000 0.000 0.285 590 I C -0.549 175.568 176.117 0.001 0.000 1.039 590 I CA -1.392 59.875 61.300 -0.054 0.000 1.074 590 I CB 2.299 40.272 38.000 -0.046 0.000 1.228 590 I HN -0.057 nan 8.210 nan 0.000 0.436 591 V N 3.055 122.997 119.914 0.046 0.000 3.046 591 V HA 0.687 4.807 4.120 -0.000 0.000 0.316 591 V C -0.130 176.121 176.094 0.261 0.000 1.104 591 V CA -1.073 61.308 62.300 0.136 0.000 1.006 591 V CB 1.853 33.642 31.823 -0.057 0.000 1.058 591 V HN 0.872 nan 8.190 nan 0.000 0.440 592 R N 1.819 122.456 120.500 0.229 0.000 2.641 592 R HA 0.628 4.968 4.340 -0.000 0.000 0.269 592 R C 0.387 176.638 176.300 -0.081 0.000 1.074 592 R CA 0.147 56.233 56.100 -0.022 0.000 1.133 592 R CB 0.319 30.591 30.300 -0.047 0.000 1.029 592 R HN 1.152 nan 8.270 nan 0.000 0.488 593 G N -0.187 108.460 108.800 -0.255 0.000 2.539 593 G HA2 0.231 4.191 3.960 -0.000 0.000 0.258 593 G HA3 0.231 4.191 3.960 -0.000 0.000 0.258 593 G C 0.410 175.227 174.900 -0.137 0.000 1.202 593 G CA -0.432 44.576 45.100 -0.154 0.000 0.851 593 G HN 0.759 nan 8.290 nan 0.000 0.556 594 T N -2.732 111.774 114.554 -0.079 0.000 3.174 594 T HA 0.080 4.430 4.350 -0.000 0.000 0.269 594 T C 1.812 176.469 174.700 -0.071 0.000 1.017 594 T CA 0.563 62.616 62.100 -0.079 0.000 0.899 594 T CB 0.005 68.858 68.868 -0.026 0.000 1.077 594 T HN 0.540 nan 8.240 nan 0.000 0.552 595 T N 0.191 114.700 114.554 -0.075 0.000 3.051 595 T HA -0.021 4.329 4.350 -0.000 0.000 0.269 595 T C 1.470 176.134 174.700 -0.061 0.000 1.127 595 T CA 0.864 62.930 62.100 -0.057 0.000 1.107 595 T CB -0.470 68.368 68.868 -0.050 0.000 0.898 595 T HN 0.566 nan 8.240 nan 0.000 0.517 596 S N -0.384 115.266 115.700 -0.085 0.000 2.902 596 S HA 0.621 5.091 4.470 -0.000 0.000 0.250 596 S C 0.835 175.383 174.600 -0.087 0.000 1.046 596 S CA -0.293 57.862 58.200 -0.076 0.000 1.069 596 S CB -0.005 63.150 63.200 -0.075 0.000 0.967 596 S HN 1.166 nan 8.310 nan 0.000 0.530 597 G N 2.851 111.598 108.800 -0.088 0.000 2.725 597 G HA2 -0.120 3.840 3.960 -0.000 0.000 0.220 597 G HA3 -0.120 3.840 3.960 -0.000 0.000 0.220 597 G C -2.749 172.065 174.900 -0.144 0.000 1.357 597 G CA -0.480 44.569 45.100 -0.085 0.000 0.866 597 G HN 0.354 nan 8.290 nan 0.000 0.548 598 P HA 0.316 nan 4.420 nan 0.000 0.226 598 P C -0.293 176.948 177.300 -0.099 0.000 1.783 598 P CA 0.236 63.275 63.100 -0.101 0.000 0.980 598 P CB -0.104 31.664 31.700 0.113 0.000 1.967 599 M N 2.343 121.774 119.600 -0.282 0.000 2.114 599 M HA 0.363 4.843 4.480 -0.000 0.000 0.332 599 M C -1.022 175.102 176.300 -0.293 0.000 1.014 599 M CA -0.715 54.501 55.300 -0.141 0.000 0.956 599 M CB 0.828 33.365 32.600 -0.104 0.000 1.551 599 M HN -0.048 nan 8.290 nan 0.000 0.427 600 Y N 2.619 122.905 120.300 -0.024 0.000 2.534 600 Y HA 0.879 5.429 4.550 -0.000 0.000 0.329 600 Y C 1.054 176.948 175.900 -0.009 0.000 1.154 600 Y CA 0.084 58.173 58.100 -0.017 0.000 1.192 600 Y CB 1.413 39.864 38.460 -0.014 0.000 1.275 600 Y HN 0.872 nan 8.280 nan 0.000 0.491 601 G N 0.728 109.621 108.800 0.156 0.000 2.513 601 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.227 601 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.227 601 G C -2.708 172.229 174.900 0.061 0.000 1.176 601 G CA -0.818 44.341 45.100 0.098 0.000 0.967 601 G HN 0.614 nan 8.290 nan 0.000 0.587 602 P HA 0.367 nan 4.420 nan 0.000 0.267 602 P C 0.849 178.164 177.300 0.026 0.000 1.200 602 P CA 1.948 65.073 63.100 0.041 0.000 0.772 602 P CB 0.331 32.048 31.700 0.029 0.000 0.855 603 G N 1.009 109.833 108.800 0.040 0.000 2.295 603 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.287 603 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.287 603 G C 0.182 175.061 174.900 -0.034 0.000 1.055 603 G CA -0.317 44.797 45.100 0.024 0.000 0.922 603 G HN 0.609 nan 8.290 nan 0.000 0.503 604 Q N 0.166 119.915 119.800 -0.085 0.000 2.315 604 Q HA 0.220 4.560 4.340 -0.000 0.000 0.289 604 Q C 1.844 177.707 176.000 -0.228 0.000 1.044 604 Q CA 0.819 56.469 55.803 -0.254 0.000 0.920 604 Q CB 0.870 29.270 28.738 -0.563 0.000 1.214 604 Q HN 0.760 nan 8.270 nan 0.000 0.392 605 S N 0.305 115.886 115.700 -0.198 0.000 2.561 605 S HA 0.049 4.519 4.470 -0.000 0.000 0.225 605 S C 0.589 175.116 174.600 -0.122 0.000 0.977 605 S CA 0.386 58.515 58.200 -0.118 0.000 0.926 605 S CB 0.034 63.182 63.200 -0.085 0.000 0.769 605 S HN 0.638 nan 8.310 nan 0.000 0.533 606 S N -1.044 114.500 115.700 -0.261 0.000 2.656 606 S HA 0.700 5.170 4.470 -0.000 0.000 0.265 606 S C -1.627 172.704 174.600 -0.448 0.000 1.110 606 S CA -1.169 56.919 58.200 -0.186 0.000 0.821 606 S CB 0.127 63.289 63.200 -0.063 0.000 1.099 606 S HN 0.188 nan 8.310 nan 0.000 0.471 607 F N -0.050 119.912 119.950 0.021 0.000 2.626 607 F HA 0.795 5.322 4.527 -0.000 0.000 0.311 607 F C -0.822 174.986 175.800 0.014 0.000 1.088 607 F CA -0.863 57.148 58.000 0.017 0.000 0.949 607 F CB 2.078 41.088 39.000 0.017 0.000 1.322 607 F HN 0.787 nan 8.300 nan 0.000 0.461 608 L N 2.825 124.168 121.223 0.200 0.000 2.385 608 L HA 0.656 4.996 4.340 -0.000 0.000 0.273 608 L C -1.474 175.424 176.870 0.047 0.000 0.990 608 L CA -0.328 54.569 54.840 0.096 0.000 0.821 608 L CB 1.774 43.858 42.059 0.042 0.000 1.279 608 L HN 0.840 nan 8.230 nan 0.000 0.412 609 N N 3.822 122.534 118.700 0.019 0.000 2.262 609 N HA 0.547 5.287 4.740 -0.000 0.000 0.295 609 N C -0.542 174.838 175.510 -0.216 0.000 1.161 609 N CA -0.886 52.138 53.050 -0.044 0.000 0.767 609 N CB 1.791 40.294 38.487 0.027 0.000 1.499 609 N HN 0.630 nan 8.380 nan 0.000 0.476 610 I N -2.921 117.476 120.570 -0.288 0.000 3.326 610 I HA 0.427 4.597 4.170 -0.000 0.000 0.336 610 I C -0.110 175.925 176.117 -0.136 0.000 1.543 610 I CA -0.619 60.347 61.300 -0.555 0.000 1.013 610 I CB 0.114 37.882 38.000 -0.385 0.000 1.468 610 I HN 0.566 nan 8.210 nan 0.000 0.515 611 E N 1.749 121.988 120.200 0.064 0.000 2.349 611 E HA 0.501 4.851 4.350 -0.000 0.000 0.265 611 E C -0.557 176.171 176.600 0.214 0.000 1.064 611 E CA -0.493 55.971 56.400 0.107 0.000 0.886 611 E CB 1.406 31.144 29.700 0.064 0.000 1.036 611 E HN 0.451 nan 8.360 nan 0.000 0.413 612 L N 3.048 124.342 121.223 0.118 0.000 2.902 612 L HA 0.451 4.791 4.340 -0.000 0.000 0.229 612 L C 1.036 177.940 176.870 0.058 0.000 1.324 612 L CA -1.069 53.825 54.840 0.091 0.000 1.230 612 L CB 0.045 42.145 42.059 0.068 0.000 2.134 612 L HN 0.627 nan 8.230 nan 0.000 0.567 613 I N -2.407 118.188 120.570 0.042 0.000 3.394 613 I HA 0.202 4.372 4.170 -0.000 0.000 0.264 613 I C 0.748 176.912 176.117 0.077 0.000 1.184 613 I CA -0.399 60.926 61.300 0.041 0.000 0.890 613 I CB 0.610 38.625 38.000 0.024 0.000 1.619 613 I HN 0.404 nan 8.210 nan 0.000 0.820 614 S N -0.016 115.754 115.700 0.116 0.000 2.560 614 S HA 0.019 4.489 4.470 -0.000 0.000 0.284 614 S C 0.721 175.424 174.600 0.172 0.000 1.327 614 S CA -0.083 58.239 58.200 0.203 0.000 1.055 614 S CB 0.216 63.653 63.200 0.395 0.000 0.868 614 S HN 0.691 nan 8.310 nan 0.000 0.506 615 E N 2.141 122.415 120.200 0.124 0.000 2.474 615 E HA 0.073 4.423 4.350 -0.000 0.000 0.194 615 E C 0.022 176.638 176.600 0.025 0.000 1.041 615 E CA 0.299 56.733 56.400 0.057 0.000 0.874 615 E CB 0.295 30.002 29.700 0.011 0.000 0.914 615 E HN 0.524 nan 8.360 nan 0.000 0.498 616 K N 1.625 122.056 120.400 0.053 0.000 2.144 616 K HA 0.134 4.454 4.320 -0.000 0.000 0.270 616 K C 0.329 176.982 176.600 0.089 0.000 1.005 616 K CA -0.269 55.945 56.287 -0.121 0.000 0.932 616 K CB 1.240 33.396 32.500 -0.573 0.000 1.021 616 K HN -0.017 nan 8.250 nan 0.000 0.462 617 T N -1.390 113.169 114.554 0.009 0.000 2.813 617 T HA 0.138 4.488 4.350 -0.000 0.000 0.297 617 T C 1.325 176.119 174.700 0.158 0.000 1.036 617 T CA -0.267 61.894 62.100 0.102 0.000 1.044 617 T CB 1.226 70.120 68.868 0.043 0.000 0.993 617 T HN 0.584 nan 8.240 nan 0.000 0.535 618 A N 1.193 124.111 122.820 0.163 0.000 1.969 618 A HA 0.225 4.545 4.320 -0.000 0.000 0.218 618 A C 2.625 180.201 177.584 -0.014 0.000 1.169 618 A CA 1.573 53.664 52.037 0.089 0.000 0.635 618 A CB -1.462 17.705 19.000 0.279 0.000 0.810 618 A HN 1.218 nan 8.150 nan 0.000 0.445 619 A N -1.047 121.789 122.820 0.027 0.000 1.877 619 A HA -0.119 4.201 4.320 -0.000 0.000 0.216 619 A C 2.136 179.694 177.584 -0.044 0.000 1.186 619 A CA 1.646 53.683 52.037 0.000 0.000 0.620 619 A CB -0.883 18.125 19.000 0.013 0.000 0.822 619 A HN 0.800 nan 8.150 nan 0.000 0.443 620 Y N -1.231 118.951 120.300 -0.197 0.000 2.145 620 Y HA -0.266 4.284 4.550 -0.000 0.000 0.286 620 Y C 2.167 177.824 175.900 -0.405 0.000 1.145 620 Y CA 1.968 59.875 58.100 -0.321 0.000 1.148 620 Y CB -0.524 37.671 38.460 -0.442 0.000 0.981 620 Y HN 0.429 nan 8.280 nan 0.000 0.507 621 W N -0.626 120.513 121.300 -0.267 0.000 2.358 621 W HA -0.191 4.469 4.660 -0.000 0.000 0.303 621 W C 2.685 178.930 176.519 -0.456 0.000 1.208 621 W CA 1.265 58.289 57.345 -0.536 0.000 1.274 621 W CB -0.758 28.033 29.460 -1.114 0.000 1.138 621 W HN 0.112 nan 8.180 nan 0.000 0.515 622 C N -1.147 118.065 119.300 -0.146 0.000 2.446 622 C HA -0.185 4.275 4.460 -0.000 0.000 0.277 622 C C 2.622 177.579 174.990 -0.055 0.000 1.275 622 C CA 1.155 60.152 59.018 -0.036 0.000 1.727 622 C CB -1.240 26.509 27.740 0.015 0.000 2.010 622 C HN 0.420 nan 8.230 nan 0.000 0.486 623 Q N 0.749 120.475 119.800 -0.125 0.000 2.119 623 Q HA -0.158 4.182 4.340 -0.000 0.000 0.201 623 Q C 2.240 178.143 176.000 -0.163 0.000 0.972 623 Q CA 1.697 57.424 55.803 -0.127 0.000 0.847 623 Q CB -0.061 28.588 28.738 -0.148 0.000 0.903 623 Q HN 0.620 nan 8.270 nan 0.000 0.433 624 S N -0.241 115.279 115.700 -0.301 0.000 2.368 624 S HA -0.124 4.346 4.470 -0.000 0.000 0.225 624 S C 1.926 176.489 174.600 -0.061 0.000 1.030 624 S CA 1.239 59.263 58.200 -0.294 0.000 0.999 624 S CB -0.172 62.675 63.200 -0.589 0.000 0.844 624 S HN 0.241 nan 8.310 nan 0.000 0.459 625 V N 1.690 121.615 119.914 0.020 0.000 2.343 625 V HA -0.169 3.951 4.120 -0.000 0.000 0.247 625 V C 2.487 178.637 176.094 0.092 0.000 1.051 625 V CA 2.022 64.387 62.300 0.110 0.000 1.036 625 V CB -1.260 30.652 31.823 0.149 0.000 0.654 625 V HN 0.511 nan 8.190 nan 0.000 0.451 626 T N -0.373 114.209 114.554 0.047 0.000 2.746 626 T HA -0.207 4.142 4.350 -0.000 0.000 0.267 626 T C 1.785 176.512 174.700 0.045 0.000 1.039 626 T CA 1.746 63.871 62.100 0.042 0.000 1.142 626 T CB -0.212 68.665 68.868 0.015 0.000 0.866 626 T HN 0.602 nan 8.240 nan 0.000 0.444 627 E N 0.816 121.031 120.200 0.026 0.000 2.031 627 E HA -0.071 4.279 4.350 -0.000 0.000 0.193 627 E C 2.289 178.956 176.600 0.113 0.000 0.994 627 E CA 0.973 57.395 56.400 0.036 0.000 0.800 627 E CB -0.346 29.353 29.700 -0.002 0.000 0.752 627 E HN 0.385 nan 8.360 nan 0.000 0.447 628 L N 0.913 122.238 121.223 0.169 0.000 2.012 628 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 628 L C 2.407 179.502 176.870 0.374 0.000 1.073 628 L CA 1.013 56.060 54.840 0.346 0.000 0.748 628 L CB -0.414 41.828 42.059 0.305 0.000 0.891 628 L HN 0.028 nan 8.230 nan 0.000 0.431 629 K N 0.052 120.591 120.400 0.232 0.000 2.211 629 K HA -0.031 4.289 4.320 -0.000 0.000 0.203 629 K C 2.114 178.777 176.600 0.104 0.000 1.050 629 K CA 1.253 57.643 56.287 0.172 0.000 0.945 629 K CB -0.359 32.213 32.500 0.121 0.000 0.732 629 K HN 0.286 nan 8.250 nan 0.000 0.451 630 A N 1.594 124.459 122.820 0.074 0.000 1.897 630 A HA -0.135 4.185 4.320 -0.000 0.000 0.215 630 A C 1.562 179.119 177.584 -0.045 0.000 1.181 630 A CA 1.623 53.668 52.037 0.014 0.000 0.620 630 A CB -0.158 18.846 19.000 0.005 0.000 0.821 630 A HN 0.153 nan 8.150 nan 0.000 0.443 631 D N -1.616 118.741 120.400 -0.072 0.000 2.305 631 D HA 0.104 4.744 4.640 -0.000 0.000 0.206 631 D C -0.469 175.424 176.300 -0.678 0.000 0.974 631 D CA 0.723 54.501 54.000 -0.370 0.000 0.871 631 D CB 0.049 40.576 40.800 -0.456 0.000 0.947 631 D HN 0.440 nan 8.370 nan 0.000 0.516 632 F N 0.653 120.643 119.950 0.067 0.000 2.584 632 F HA 0.253 4.780 4.527 -0.000 0.000 0.328 632 F C -1.665 174.107 175.800 -0.046 0.000 1.407 632 F CA -1.713 56.294 58.000 0.012 0.000 1.145 632 F CB 1.648 40.670 39.000 0.038 0.000 1.440 632 F HN -0.204 nan 8.300 nan 0.000 0.580 633 P HA -0.163 nan 4.420 nan 0.000 0.219 633 P C 0.531 177.825 177.300 -0.011 0.000 1.146 633 P CA 1.532 64.644 63.100 0.020 0.000 0.808 633 P CB 0.470 32.168 31.700 -0.004 0.000 0.779 634 D N -0.857 119.533 120.400 -0.016 0.000 2.354 634 D HA 0.024 4.664 4.640 -0.000 0.000 0.209 634 D C 0.199 176.429 176.300 -0.117 0.000 1.015 634 D CA 0.374 54.343 54.000 -0.051 0.000 0.867 634 D CB -0.426 40.361 40.800 -0.020 0.000 0.933 634 D HN 0.277 nan 8.370 nan 0.000 0.520 635 N N 0.924 119.502 118.700 -0.204 0.000 2.434 635 N HA 0.151 4.891 4.740 -0.000 0.000 0.272 635 N C -0.148 175.186 175.510 -0.294 0.000 1.040 635 N CA -0.390 52.383 53.050 -0.461 0.000 0.956 635 N CB 1.508 39.187 38.487 -1.346 0.000 1.108 635 N HN -0.119 nan 8.380 nan 0.000 0.481 636 I N 2.354 122.835 120.570 -0.148 0.000 2.471 636 I HA 0.102 4.272 4.170 -0.000 0.000 0.286 636 I C -0.058 176.211 176.117 0.253 0.000 1.079 636 I CA -0.244 61.031 61.300 -0.042 0.000 1.398 636 I CB 0.245 38.059 38.000 -0.309 0.000 1.403 636 I HN 0.208 nan 8.210 nan 0.000 0.530 637 V N 8.208 128.266 119.914 0.241 0.000 2.409 637 V HA 0.447 4.567 4.120 -0.000 0.000 0.291 637 V C 0.185 176.438 176.094 0.266 0.000 1.020 637 V CA -0.526 61.975 62.300 0.335 0.000 0.848 637 V CB 1.925 33.938 31.823 0.316 0.000 0.990 637 V HN 0.423 nan 8.190 nan 0.000 0.430 638 I N 4.169 124.918 120.570 0.299 0.000 2.362 638 I HA 0.636 4.806 4.170 -0.000 0.000 0.289 638 I C 0.488 176.729 176.117 0.207 0.000 0.994 638 I CA -0.598 60.861 61.300 0.264 0.000 1.158 638 I CB 1.834 40.033 38.000 0.333 0.000 1.315 638 I HN 0.642 nan 8.210 nan 0.000 0.451 639 A N 4.704 127.635 122.820 0.184 0.000 2.309 639 A HA 0.446 4.766 4.320 -0.000 0.000 0.290 639 A C 0.091 177.685 177.584 0.016 0.000 1.206 639 A CA -0.215 51.922 52.037 0.167 0.000 0.850 639 A CB 0.691 19.849 19.000 0.263 0.000 1.118 639 A HN 0.653 nan 8.150 nan 0.000 0.523 640 S N 2.736 118.385 115.700 -0.085 0.000 2.475 640 S HA 0.663 5.133 4.470 -0.000 0.000 0.281 640 S C -0.183 174.141 174.600 -0.460 0.000 1.198 640 S CA -0.563 57.544 58.200 -0.154 0.000 1.063 640 S CB -0.318 62.822 63.200 -0.100 0.000 0.972 640 S HN 0.834 nan 8.310 nan 0.000 0.486 641 I N 2.148 122.507 120.570 -0.352 0.000 2.934 641 I HA 0.716 4.886 4.170 -0.000 0.000 0.306 641 I C -1.020 174.959 176.117 -0.231 0.000 1.110 641 I CA -1.216 59.778 61.300 -0.511 0.000 1.019 641 I CB 2.349 40.030 38.000 -0.533 0.000 1.227 641 I HN 0.680 nan 8.210 nan 0.000 0.434 642 M N 4.094 123.463 119.600 -0.386 0.000 2.371 642 M HA 0.684 5.164 4.480 -0.000 0.000 0.287 642 M C -2.140 173.744 176.300 -0.694 0.000 1.149 642 M CA -0.017 55.059 55.300 -0.373 0.000 0.929 642 M CB 2.046 34.580 32.600 -0.110 0.000 1.683 642 M HN 0.953 nan 8.290 nan 0.000 0.470 643 C N 0.806 119.482 119.300 -1.039 0.000 3.171 643 C HA 0.767 5.227 4.460 -0.000 0.000 0.308 643 C C 0.293 175.164 174.990 -0.199 0.000 1.334 643 C CA -0.669 57.828 59.018 -0.868 0.000 1.473 643 C CB 2.324 29.076 27.740 -1.647 0.000 1.866 643 C HN 0.997 nan 8.230 nan 0.000 0.465 644 S N 0.054 115.731 115.700 -0.038 0.000 2.641 644 S HA 0.266 4.736 4.470 -0.000 0.000 0.261 644 S C -0.421 174.458 174.600 0.465 0.000 1.257 644 S CA -0.165 58.157 58.200 0.205 0.000 0.983 644 S CB -0.030 63.245 63.200 0.126 0.000 0.990 644 S HN 0.716 nan 8.310 nan 0.000 0.572 645 Y N 2.659 123.168 120.300 0.348 0.000 2.518 645 Y HA 0.278 4.828 4.550 -0.000 0.000 0.337 645 Y C 0.155 176.302 175.900 0.411 0.000 1.261 645 Y CA -0.308 58.078 58.100 0.476 0.000 1.856 645 Y CB -0.948 37.699 38.460 0.312 0.000 1.798 645 Y HN 0.700 nan 8.280 nan 0.000 0.440 646 N N 3.924 122.770 118.700 0.243 0.000 2.500 646 N HA 0.099 4.839 4.740 -0.000 0.000 0.291 646 N C 0.525 175.782 175.510 -0.422 0.000 1.092 646 N CA -0.345 52.627 53.050 -0.129 0.000 0.890 646 N CB 1.417 39.871 38.487 -0.055 0.000 1.466 646 N HN 0.590 nan 8.380 nan 0.000 0.507 647 K N 3.134 122.824 120.400 -1.183 0.000 2.032 647 K HA -0.099 4.221 4.320 -0.000 0.000 0.209 647 K C 0.963 177.219 176.600 -0.574 0.000 1.048 647 K CA 1.416 56.790 56.287 -1.523 0.000 0.927 647 K CB 0.138 31.599 32.500 -1.732 0.000 0.712 647 K HN 0.464 nan 8.250 nan 0.000 0.441 648 N N 1.405 119.868 118.700 -0.396 0.000 2.120 648 N HA -0.159 4.581 4.740 -0.000 0.000 0.188 648 N C 1.338 176.761 175.510 -0.145 0.000 1.024 648 N CA 1.505 54.423 53.050 -0.219 0.000 0.852 648 N CB -0.474 37.911 38.487 -0.171 0.000 1.003 648 N HN 0.294 nan 8.380 nan 0.000 0.424 649 D N -0.033 120.274 120.400 -0.154 0.000 2.084 649 D HA -0.135 4.505 4.640 -0.000 0.000 0.194 649 D C 1.901 178.106 176.300 -0.159 0.000 0.990 649 D CA 0.801 54.701 54.000 -0.167 0.000 0.826 649 D CB -0.535 40.130 40.800 -0.224 0.000 0.971 649 D HN 0.349 nan 8.370 nan 0.000 0.453 650 W N 0.849 122.102 121.300 -0.079 0.000 2.342 650 W HA -0.081 4.579 4.660 -0.000 0.000 0.297 650 W C 2.651 179.134 176.519 -0.060 0.000 1.213 650 W CA 0.714 58.044 57.345 -0.026 0.000 1.251 650 W CB -0.304 29.223 29.460 0.111 0.000 1.136 650 W HN -0.043 nan 8.180 nan 0.000 0.526 651 M N -0.660 119.014 119.600 0.123 0.000 2.175 651 M HA -0.173 4.307 4.480 -0.000 0.000 0.264 651 M C 2.069 178.374 176.300 0.009 0.000 1.063 651 M CA 1.635 56.961 55.300 0.042 0.000 1.119 651 M CB -0.719 31.868 32.600 -0.021 0.000 1.377 651 M HN 0.077 nan 8.290 nan 0.000 0.415 652 E N 0.864 121.053 120.200 -0.019 0.000 2.028 652 E HA -0.227 4.123 4.350 -0.000 0.000 0.191 652 E C 1.986 178.583 176.600 -0.006 0.000 0.988 652 E CA 1.146 57.533 56.400 -0.021 0.000 0.799 652 E CB 0.014 29.689 29.700 -0.041 0.000 0.755 652 E HN 0.267 nan 8.360 nan 0.000 0.447 653 L N 1.074 122.277 121.223 -0.033 0.000 2.017 653 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 653 L C 2.546 179.422 176.870 0.010 0.000 1.073 653 L CA 2.376 57.200 54.840 -0.026 0.000 0.745 653 L CB -0.763 41.206 42.059 -0.150 0.000 0.894 653 L HN 0.243 nan 8.230 nan 0.000 0.432 654 S N -0.921 114.790 115.700 0.018 0.000 2.382 654 S HA -0.233 4.237 4.470 -0.000 0.000 0.228 654 S C 2.161 176.780 174.600 0.032 0.000 1.027 654 S CA 1.158 59.373 58.200 0.024 0.000 0.991 654 S CB -0.611 62.597 63.200 0.014 0.000 0.823 654 S HN 0.500 nan 8.310 nan 0.000 0.469 655 R N 1.185 121.702 120.500 0.029 0.000 2.115 655 R HA 0.111 4.451 4.340 -0.000 0.000 0.226 655 R C 2.568 178.899 176.300 0.052 0.000 1.100 655 R CA 1.296 57.415 56.100 0.032 0.000 0.980 655 R CB -0.232 30.080 30.300 0.020 0.000 0.875 655 R HN 0.518 nan 8.270 nan 0.000 0.445 656 K N 0.558 120.998 120.400 0.066 0.000 2.057 656 K HA -0.082 4.238 4.320 -0.000 0.000 0.206 656 K C 1.968 178.647 176.600 0.131 0.000 1.050 656 K CA 1.317 57.659 56.287 0.091 0.000 0.935 656 K CB -0.023 32.543 32.500 0.109 0.000 0.715 656 K HN 0.140 nan 8.250 nan 0.000 0.439 657 A N 1.374 124.292 122.820 0.165 0.000 1.898 657 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 657 A C 2.010 179.680 177.584 0.143 0.000 1.181 657 A CA 1.695 53.863 52.037 0.218 0.000 0.620 657 A CB -0.580 18.550 19.000 0.216 0.000 0.819 657 A HN 0.585 nan 8.150 nan 0.000 0.442 658 E N 0.059 120.317 120.200 0.096 0.000 2.085 658 E HA -0.158 4.191 4.350 -0.000 0.000 0.194 658 E C 2.035 178.675 176.600 0.067 0.000 0.994 658 E CA 1.170 57.614 56.400 0.073 0.000 0.801 658 E CB -0.278 29.451 29.700 0.050 0.000 0.743 658 E HN 0.512 nan 8.360 nan 0.000 0.453 659 A N 0.829 123.687 122.820 0.063 0.000 2.019 659 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 659 A C 2.265 179.882 177.584 0.055 0.000 1.164 659 A CA 1.676 53.744 52.037 0.051 0.000 0.644 659 A CB -0.622 18.404 19.000 0.044 0.000 0.805 659 A HN 0.446 nan 8.150 nan 0.000 0.449 660 S N -1.919 113.825 115.700 0.073 0.000 2.515 660 S HA 0.309 4.779 4.470 -0.000 0.000 0.231 660 S C 1.434 176.076 174.600 0.070 0.000 0.987 660 S CA 1.246 59.488 58.200 0.069 0.000 0.936 660 S CB -0.287 62.967 63.200 0.089 0.000 0.766 660 S HN 1.875 nan 8.310 nan 0.000 0.528 661 G N 0.362 109.206 108.800 0.074 0.000 2.168 661 G HA2 0.041 4.001 3.960 -0.000 0.000 0.197 661 G HA3 0.041 4.001 3.960 -0.000 0.000 0.197 661 G C 0.200 175.152 174.900 0.087 0.000 0.997 661 G CA -0.189 44.953 45.100 0.070 0.000 0.658 661 G HN 1.211 nan 8.290 nan 0.000 0.513 662 A N 0.444 123.329 122.820 0.109 0.000 2.531 662 A HA 0.457 4.777 4.320 -0.000 0.000 0.236 662 A C 1.280 178.921 177.584 0.095 0.000 1.062 662 A CA 0.999 53.112 52.037 0.127 0.000 0.760 662 A CB 0.256 19.348 19.000 0.154 0.000 0.995 662 A HN 0.247 nan 8.150 nan 0.000 0.501 663 D N 0.642 121.098 120.400 0.093 0.000 2.224 663 D HA 0.235 4.875 4.640 -0.000 0.000 0.205 663 D C 0.774 177.110 176.300 0.061 0.000 0.965 663 D CA 1.871 55.903 54.000 0.053 0.000 0.852 663 D CB 0.163 40.971 40.800 0.013 0.000 0.947 663 D HN 0.781 nan 8.370 nan 0.000 0.494 664 A N -0.513 122.367 122.820 0.099 0.000 2.540 664 A HA 0.615 4.935 4.320 -0.000 0.000 0.291 664 A C -1.754 175.898 177.584 0.113 0.000 1.083 664 A CA -0.689 51.392 52.037 0.073 0.000 0.650 664 A CB 0.635 19.699 19.000 0.107 0.000 1.292 664 A HN 0.021 nan 8.150 nan 0.000 0.435 665 L N -0.067 121.203 121.223 0.079 0.000 2.333 665 L HA 0.762 5.102 4.340 -0.000 0.000 0.263 665 L C -0.221 176.762 176.870 0.188 0.000 1.014 665 L CA -0.545 54.369 54.840 0.122 0.000 0.820 665 L CB 2.192 44.303 42.059 0.087 0.000 1.352 665 L HN 0.874 nan 8.230 nan 0.000 0.421 666 E N 1.511 121.822 120.200 0.186 0.000 2.218 666 E HA 0.417 4.767 4.350 -0.000 0.000 0.263 666 E C -1.676 175.028 176.600 0.173 0.000 0.879 666 E CA -0.830 55.707 56.400 0.229 0.000 0.762 666 E CB 1.667 31.493 29.700 0.209 0.000 1.166 666 E HN 0.309 nan 8.360 nan 0.000 0.415 667 L N 4.485 125.834 121.223 0.210 0.000 2.283 667 L HA 0.225 4.565 4.340 -0.000 0.000 0.287 667 L C 0.185 177.167 176.870 0.186 0.000 1.073 667 L CA -0.266 54.704 54.840 0.217 0.000 0.822 667 L CB 0.429 42.545 42.059 0.096 0.000 1.186 667 L HN 0.446 nan 8.230 nan 0.000 0.436 668 N N 4.694 123.518 118.700 0.207 0.000 2.448 668 N HA 0.113 4.853 4.740 -0.000 0.000 0.250 668 N C -0.120 175.495 175.510 0.176 0.000 1.136 668 N CA 0.113 53.246 53.050 0.139 0.000 0.953 668 N CB 0.339 38.869 38.487 0.072 0.000 1.251 668 N HN 0.559 nan 8.380 nan 0.000 0.502 669 L N 1.872 123.167 121.223 0.120 0.000 3.110 669 L HA 0.210 4.550 4.340 -0.000 0.000 0.266 669 L C 0.622 177.527 176.870 0.058 0.000 1.257 669 L CA -0.133 54.767 54.840 0.100 0.000 1.038 669 L CB 0.086 42.173 42.059 0.048 0.000 1.395 669 L HN 0.430 nan 8.230 nan 0.000 0.566 670 S N -2.821 112.906 115.700 0.045 0.000 3.053 670 S HA 0.051 4.521 4.470 -0.000 0.000 0.255 670 S C 0.180 174.770 174.600 -0.017 0.000 0.976 670 S CA -0.507 57.704 58.200 0.018 0.000 1.159 670 S CB -0.306 62.908 63.200 0.023 0.000 1.110 670 S HN 0.299 nan 8.310 nan 0.000 0.633 671 C N 5.955 125.232 119.300 -0.039 0.000 2.657 671 C HA 0.352 4.812 4.460 -0.000 0.000 0.404 671 C C -0.736 174.157 174.990 -0.161 0.000 1.369 671 C CA -1.309 57.627 59.018 -0.136 0.000 1.665 671 C CB 0.286 27.941 27.740 -0.143 0.000 2.453 671 C HN 0.455 nan 8.230 nan 0.000 0.599 672 P HA 0.022 nan 4.420 nan 0.000 0.242 672 P C -0.440 176.860 177.300 0.000 0.000 1.197 672 P CA 1.108 64.169 63.100 -0.065 0.000 0.765 672 P CB -0.139 31.584 31.700 0.039 0.000 0.936 673 H N -5.864 113.241 119.070 0.057 0.000 3.037 673 H HA 0.505 5.061 4.556 -0.000 0.000 0.336 673 H C 0.807 176.159 175.328 0.040 0.000 1.323 673 H CA -0.214 55.868 56.048 0.058 0.000 1.159 673 H CB 0.433 30.233 29.762 0.062 0.000 1.882 673 H HN -0.012 nan 8.280 nan 0.000 0.535 674 G N 0.672 109.589 108.800 0.196 0.000 4.754 674 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.222 674 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.222 674 G C 1.138 176.077 174.900 0.064 0.000 1.377 674 G CA 0.897 46.076 45.100 0.132 0.000 0.942 674 G HN 0.625 nan 8.290 nan 0.000 0.671 675 M N 2.013 121.631 119.600 0.030 0.000 2.358 675 M HA 0.073 4.553 4.480 -0.000 0.000 0.264 675 M C 2.659 178.979 176.300 0.034 0.000 1.064 675 M CA 1.819 57.132 55.300 0.023 0.000 1.093 675 M CB -1.855 30.747 32.600 0.003 0.000 1.401 675 M HN 0.568 nan 8.290 nan 0.000 0.440 676 G N 0.446 109.267 108.800 0.035 0.000 2.422 676 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.218 676 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.218 676 G C 1.496 176.425 174.900 0.047 0.000 1.146 676 G CA 0.508 45.634 45.100 0.044 0.000 0.769 676 G HN 0.523 nan 8.290 nan 0.000 0.547 677 E N 0.023 120.251 120.200 0.047 0.000 2.347 677 E HA -0.004 4.345 4.350 -0.000 0.000 0.196 677 E C 2.191 178.814 176.600 0.039 0.000 1.008 677 E CA 0.218 56.642 56.400 0.041 0.000 0.852 677 E CB 0.040 29.763 29.700 0.038 0.000 0.783 677 E HN 0.385 nan 8.360 nan 0.000 0.505 678 R N -0.314 120.211 120.500 0.041 0.000 2.359 678 R HA 0.158 4.498 4.340 -0.000 0.000 0.231 678 R C 0.656 176.987 176.300 0.051 0.000 0.913 678 R CA 0.456 56.579 56.100 0.039 0.000 1.075 678 R CB 0.749 31.067 30.300 0.031 0.000 1.087 678 R HN 0.118 nan 8.270 nan 0.000 0.515 679 G N 1.672 110.508 108.800 0.060 0.000 2.204 679 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.244 679 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.244 679 G C -0.065 174.902 174.900 0.110 0.000 1.062 679 G CA 0.291 45.440 45.100 0.082 0.000 0.798 679 G HN 0.216 nan 8.290 nan 0.000 0.496 680 M N -1.871 117.785 119.600 0.093 0.000 3.053 680 M HA 0.712 5.192 4.480 -0.000 0.000 0.281 680 M C 1.325 177.677 176.300 0.087 0.000 1.304 680 M CA -0.093 55.278 55.300 0.118 0.000 0.767 680 M CB 1.049 33.706 32.600 0.096 0.000 1.730 680 M HN 1.551 nan 8.290 nan 0.000 0.437 681 G N 0.574 109.431 108.800 0.095 0.000 2.543 681 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.286 681 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.286 681 G C 0.460 175.389 174.900 0.049 0.000 1.153 681 G CA 0.413 45.544 45.100 0.052 0.000 0.968 681 G HN 0.647 nan 8.290 nan 0.000 0.544 682 L N 0.968 122.205 121.223 0.023 0.000 2.017 682 L HA 0.011 4.351 4.340 -0.000 0.000 0.208 682 L C 3.634 180.514 176.870 0.017 0.000 1.073 682 L CA 2.216 57.067 54.840 0.018 0.000 0.745 682 L CB -1.162 40.905 42.059 0.014 0.000 0.894 682 L HN 0.869 nan 8.230 nan 0.000 0.432 683 A N -0.371 122.463 122.820 0.022 0.000 1.929 683 A HA -0.324 3.996 4.320 -0.000 0.000 0.221 683 A C 2.332 179.909 177.584 -0.011 0.000 1.211 683 A CA 2.508 54.550 52.037 0.009 0.000 0.657 683 A CB -1.325 17.687 19.000 0.021 0.000 0.827 683 A HN 0.600 nan 8.150 nan 0.000 0.462 684 C N -1.765 117.546 119.300 0.017 0.000 2.485 684 C HA 0.246 4.706 4.460 -0.000 0.000 0.277 684 C C 2.662 177.645 174.990 -0.012 0.000 1.376 684 C CA 0.223 59.243 59.018 0.004 0.000 1.759 684 C CB -1.215 26.592 27.740 0.111 0.000 1.970 684 C HN 0.734 nan 8.230 nan 0.000 0.509 685 G N -0.553 108.251 108.800 0.007 0.000 3.042 685 G HA2 0.011 3.971 3.960 -0.000 0.000 0.212 685 G HA3 0.011 3.971 3.960 -0.000 0.000 0.212 685 G C 1.398 176.292 174.900 -0.010 0.000 1.166 685 G CA 0.082 45.182 45.100 -0.000 0.000 0.767 685 G HN 0.650 nan 8.290 nan 0.000 0.546 686 Q N -0.411 119.378 119.800 -0.018 0.000 2.352 686 Q HA 0.094 4.434 4.340 -0.000 0.000 0.212 686 Q C -0.304 175.677 176.000 -0.033 0.000 0.888 686 Q CA -0.101 55.690 55.803 -0.019 0.000 0.934 686 Q CB 0.885 29.614 28.738 -0.014 0.000 1.093 686 Q HN 0.209 nan 8.270 nan 0.000 0.523 687 D N 0.632 121.002 120.400 -0.051 0.000 2.392 687 D HA 0.153 4.793 4.640 -0.000 0.000 0.228 687 D C -2.042 174.215 176.300 -0.072 0.000 1.074 687 D CA -2.259 51.701 54.000 -0.066 0.000 0.838 687 D CB 1.809 42.552 40.800 -0.095 0.000 1.067 687 D HN -0.190 nan 8.370 nan 0.000 0.511 688 P HA -0.192 nan 4.420 nan 0.000 0.216 688 P C 1.137 178.391 177.300 -0.078 0.000 1.154 688 P CA 1.131 64.194 63.100 -0.061 0.000 0.865 688 P CB 0.396 32.066 31.700 -0.051 0.000 0.789 689 E N -0.276 119.877 120.200 -0.079 0.000 2.058 689 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 689 E C 1.894 178.428 176.600 -0.110 0.000 0.997 689 E CA 1.125 57.474 56.400 -0.084 0.000 0.801 689 E CB -0.557 29.101 29.700 -0.071 0.000 0.746 689 E HN 0.140 nan 8.360 nan 0.000 0.450 690 L N 0.364 121.501 121.223 -0.143 0.000 2.056 690 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 690 L C 2.619 179.402 176.870 -0.144 0.000 1.078 690 L CA 0.664 55.405 54.840 -0.166 0.000 0.749 690 L CB -0.498 41.382 42.059 -0.298 0.000 0.901 690 L HN 0.106 nan 8.230 nan 0.000 0.433 691 V N 0.126 119.959 119.914 -0.134 0.000 2.332 691 V HA -0.311 3.809 4.120 -0.000 0.000 0.248 691 V C 2.750 178.737 176.094 -0.178 0.000 1.055 691 V CA 1.966 64.182 62.300 -0.139 0.000 1.038 691 V CB -0.676 31.098 31.823 -0.081 0.000 0.651 691 V HN 0.458 nan 8.190 nan 0.000 0.450 692 R N 0.195 120.601 120.500 -0.155 0.000 2.073 692 R HA -0.182 4.158 4.340 -0.000 0.000 0.234 692 R C 2.224 178.365 176.300 -0.265 0.000 1.134 692 R CA 1.984 57.989 56.100 -0.158 0.000 0.952 692 R CB -0.255 29.974 30.300 -0.118 0.000 0.850 692 R HN 0.545 nan 8.270 nan 0.000 0.433 693 N N 0.625 119.104 118.700 -0.369 0.000 2.142 693 N HA -0.129 4.611 4.740 -0.000 0.000 0.186 693 N C 1.892 176.640 175.510 -1.272 0.000 1.023 693 N CA 1.316 53.942 53.050 -0.707 0.000 0.852 693 N CB -0.193 37.909 38.487 -0.641 0.000 0.998 693 N HN 0.293 nan 8.380 nan 0.000 0.424 694 I N 0.527 120.465 120.570 -1.053 0.000 2.226 694 I HA -0.276 3.894 4.170 -0.000 0.000 0.245 694 I C 2.063 177.797 176.117 -0.637 0.000 1.100 694 I CA 0.790 61.465 61.300 -1.040 0.000 1.374 694 I CB -0.213 37.249 38.000 -0.898 0.000 1.057 694 I HN 0.134 nan 8.210 nan 0.000 0.413 695 C N 0.363 119.433 119.300 -0.383 0.000 2.425 695 C HA -0.111 4.349 4.460 -0.000 0.000 0.277 695 C C 2.884 177.855 174.990 -0.031 0.000 1.280 695 C CA 0.666 59.645 59.018 -0.065 0.000 1.744 695 C CB -1.234 26.578 27.740 0.120 0.000 1.989 695 C HN 0.415 nan 8.230 nan 0.000 0.491 696 R N -0.448 119.960 120.500 -0.152 0.000 2.081 696 R HA -0.129 4.211 4.340 -0.000 0.000 0.235 696 R C 2.179 178.503 176.300 0.041 0.000 1.131 696 R CA 1.566 57.632 56.100 -0.057 0.000 0.960 696 R CB -0.240 29.992 30.300 -0.112 0.000 0.856 696 R HN 0.569 nan 8.270 nan 0.000 0.436 697 W N 0.032 121.257 121.300 -0.127 0.000 2.358 697 W HA -0.104 4.556 4.660 -0.000 0.000 0.303 697 W C 2.038 178.461 176.519 -0.159 0.000 1.208 697 W CA 0.415 57.684 57.345 -0.127 0.000 1.274 697 W CB -1.071 28.304 29.460 -0.142 0.000 1.138 697 W HN -0.092 nan 8.180 nan 0.000 0.515 698 V N 0.587 120.454 119.914 -0.078 0.000 2.379 698 V HA -0.244 3.876 4.120 -0.000 0.000 0.245 698 V C 2.495 178.372 176.094 -0.362 0.000 1.044 698 V CA 2.092 64.176 62.300 -0.359 0.000 1.036 698 V CB -0.838 30.443 31.823 -0.904 0.000 0.664 698 V HN -0.036 nan 8.190 nan 0.000 0.453 699 R N 0.853 121.235 120.500 -0.197 0.000 2.105 699 R HA -0.225 4.115 4.340 -0.000 0.000 0.239 699 R C 2.292 178.634 176.300 0.071 0.000 1.135 699 R CA 2.204 58.385 56.100 0.135 0.000 0.967 699 R CB -0.651 29.809 30.300 0.266 0.000 0.861 699 R HN 0.657 nan 8.270 nan 0.000 0.442 700 Q N -1.127 118.702 119.800 0.049 0.000 2.311 700 Q HA -0.001 4.338 4.340 -0.000 0.000 0.203 700 Q C 1.521 177.537 176.000 0.027 0.000 0.954 700 Q CA 1.229 57.062 55.803 0.050 0.000 0.885 700 Q CB 0.001 28.781 28.738 0.071 0.000 0.963 700 Q HN 0.437 nan 8.270 nan 0.000 0.471 701 A N 0.492 123.315 122.820 0.005 0.000 1.984 701 A HA 0.178 4.498 4.320 -0.000 0.000 0.214 701 A C 0.944 178.526 177.584 -0.004 0.000 1.173 701 A CA 0.792 52.827 52.037 -0.003 0.000 0.673 701 A CB 0.148 19.144 19.000 -0.006 0.000 0.830 701 A HN 0.315 nan 8.150 nan 0.000 0.453 702 V N -4.477 115.429 119.914 -0.013 0.000 3.074 702 V HA 0.503 4.622 4.120 -0.000 0.000 0.314 702 V C 0.053 176.171 176.094 0.040 0.000 1.117 702 V CA -0.754 61.551 62.300 0.009 0.000 1.014 702 V CB 1.669 33.489 31.823 -0.005 0.000 1.057 702 V HN 0.242 nan 8.190 nan 0.000 0.438 703 Q N 1.476 121.302 119.800 0.042 0.000 2.396 703 Q HA 0.320 4.660 4.340 -0.000 0.000 0.220 703 Q C 0.941 176.971 176.000 0.051 0.000 0.900 703 Q CA 0.605 56.436 55.803 0.047 0.000 0.925 703 Q CB 0.588 29.346 28.738 0.033 0.000 1.065 703 Q HN 0.925 nan 8.270 nan 0.000 0.535 704 I N 0.703 121.302 120.570 0.048 0.000 2.938 704 I HA 0.227 4.397 4.170 -0.000 0.000 0.285 704 I C -2.125 174.013 176.117 0.035 0.000 1.182 704 I CA -2.044 59.276 61.300 0.034 0.000 1.388 704 I CB -0.160 37.859 38.000 0.032 0.000 1.390 704 I HN -0.195 nan 8.210 nan 0.000 0.600 705 P HA 0.232 nan 4.420 nan 0.000 0.274 705 P C -1.127 175.986 177.300 -0.311 0.000 1.237 705 P CA 0.140 63.115 63.100 -0.208 0.000 0.793 705 P CB 0.645 32.186 31.700 -0.266 0.000 0.977 706 F N -0.787 118.758 119.950 -0.675 0.000 2.619 706 F HA 0.733 5.260 4.527 -0.000 0.000 0.308 706 F C -1.810 173.509 175.800 -0.802 0.000 1.097 706 F CA -1.413 56.190 58.000 -0.661 0.000 0.953 706 F CB 1.141 39.990 39.000 -0.251 0.000 1.287 706 F HN 0.048 nan 8.300 nan 0.000 0.446 707 F N 1.599 121.596 119.950 0.078 0.000 2.551 707 F HA 0.801 5.328 4.527 -0.000 0.000 0.316 707 F C 0.064 175.911 175.800 0.079 0.000 1.089 707 F CA -1.425 56.545 58.000 -0.050 0.000 0.915 707 F CB 2.145 41.097 39.000 -0.080 0.000 1.186 707 F HN 0.863 nan 8.300 nan 0.000 0.456 708 A N 2.635 125.581 122.820 0.210 0.000 2.276 708 A HA 0.435 4.755 4.320 -0.000 0.000 0.300 708 A C -0.311 177.349 177.584 0.127 0.000 1.235 708 A CA -0.693 51.441 52.037 0.161 0.000 0.867 708 A CB 0.450 19.520 19.000 0.117 0.000 1.137 708 A HN 0.777 nan 8.150 nan 0.000 0.527 709 K N 3.871 124.338 120.400 0.113 0.000 2.284 709 K HA 0.461 4.781 4.320 -0.000 0.000 0.287 709 K C -0.832 175.804 176.600 0.060 0.000 1.081 709 K CA -0.189 56.146 56.287 0.080 0.000 0.910 709 K CB 0.121 32.667 32.500 0.076 0.000 1.088 709 K HN 0.715 nan 8.250 nan 0.000 0.478 710 L N 2.652 123.905 121.223 0.050 0.000 2.399 710 L HA 0.287 4.627 4.340 -0.000 0.000 0.266 710 L C 0.753 177.644 176.870 0.034 0.000 1.114 710 L CA -0.713 54.152 54.840 0.042 0.000 0.804 710 L CB 1.453 43.540 42.059 0.046 0.000 1.146 710 L HN 0.586 nan 8.230 nan 0.000 0.451 711 T N 1.493 116.064 114.554 0.028 0.000 2.909 711 T HA 0.363 4.713 4.350 -0.000 0.000 0.286 711 T C -1.720 172.995 174.700 0.026 0.000 1.002 711 T CA -1.745 60.369 62.100 0.024 0.000 1.074 711 T CB 1.390 70.268 68.868 0.017 0.000 0.984 711 T HN 0.484 nan 8.240 nan 0.000 0.495 712 P HA 0.119 nan 4.420 nan 0.000 0.251 712 P C 0.031 177.342 177.300 0.019 0.000 1.223 712 P CA 0.057 63.175 63.100 0.029 0.000 0.796 712 P CB 0.312 32.035 31.700 0.038 0.000 1.068 713 N N 1.476 120.184 118.700 0.014 0.000 3.243 713 N HA 0.151 4.891 4.740 -0.000 0.000 0.310 713 N C 0.148 175.658 175.510 0.000 0.000 1.313 713 N CA 0.302 53.354 53.050 0.004 0.000 1.204 713 N CB 0.273 38.761 38.487 0.002 0.000 1.483 713 N HN 0.164 nan 8.380 nan 0.000 0.553 714 V N -3.851 116.064 119.914 0.002 0.000 3.147 714 V HA 0.379 4.499 4.120 -0.000 0.000 0.306 714 V C 1.183 177.276 176.094 -0.002 0.000 1.209 714 V CA -0.870 61.429 62.300 -0.002 0.000 1.023 714 V CB 1.487 33.310 31.823 -0.001 0.000 1.059 714 V HN -0.010 nan 8.190 nan 0.000 0.435 715 T N 0.702 115.253 114.554 -0.006 0.000 2.746 715 T HA -0.069 4.281 4.350 -0.000 0.000 0.267 715 T C 0.416 175.115 174.700 -0.002 0.000 1.039 715 T CA 2.499 64.596 62.100 -0.006 0.000 1.142 715 T CB -0.246 68.617 68.868 -0.008 0.000 0.866 715 T HN 0.951 nan 8.240 nan 0.000 0.444 716 D N -0.513 119.885 120.400 -0.003 0.000 2.358 716 D HA 0.280 4.920 4.640 -0.000 0.000 0.253 716 D C 0.470 176.771 176.300 0.002 0.000 1.288 716 D CA -0.400 53.600 54.000 -0.000 0.000 0.950 716 D CB 0.362 41.159 40.800 -0.005 0.000 1.197 716 D HN 0.081 nan 8.370 nan 0.000 0.550 717 I N 3.034 123.610 120.570 0.011 0.000 2.614 717 I HA -0.164 4.006 4.170 -0.000 0.000 0.258 717 I C 1.400 177.528 176.117 0.019 0.000 1.189 717 I CA 0.744 62.054 61.300 0.018 0.000 1.462 717 I CB 0.452 38.469 38.000 0.029 0.000 1.092 717 I HN 0.272 nan 8.210 nan 0.000 0.442 718 V N 0.825 120.747 119.914 0.013 0.000 2.407 718 V HA -0.268 3.852 4.120 -0.000 0.000 0.248 718 V C 2.633 178.722 176.094 -0.009 0.000 1.055 718 V CA 1.980 64.284 62.300 0.008 0.000 1.049 718 V CB -0.823 31.001 31.823 0.002 0.000 0.662 718 V HN 0.687 nan 8.190 nan 0.000 0.455 719 S N 1.543 117.235 115.700 -0.013 0.000 2.382 719 S HA -0.192 4.278 4.470 -0.000 0.000 0.228 719 S C 1.972 176.556 174.600 -0.026 0.000 1.027 719 S CA 1.854 60.039 58.200 -0.024 0.000 0.991 719 S CB -0.746 62.440 63.200 -0.023 0.000 0.823 719 S HN 0.739 nan 8.310 nan 0.000 0.469 720 I N -0.254 120.308 120.570 -0.013 0.000 2.617 720 I HA 0.245 4.415 4.170 -0.000 0.000 0.256 720 I C 2.624 178.744 176.117 0.005 0.000 1.167 720 I CA 0.809 62.102 61.300 -0.011 0.000 1.469 720 I CB -0.798 37.200 38.000 -0.004 0.000 1.098 720 I HN 0.329 nan 8.210 nan 0.000 0.436 721 A N 2.078 124.912 122.820 0.024 0.000 1.873 721 A HA -0.180 4.140 4.320 -0.000 0.000 0.215 721 A C 2.613 180.191 177.584 -0.010 0.000 1.186 721 A CA 1.699 53.778 52.037 0.070 0.000 0.616 721 A CB -0.694 18.365 19.000 0.099 0.000 0.823 721 A HN 0.482 nan 8.150 nan 0.000 0.442 722 R N -0.310 120.148 120.500 -0.071 0.000 2.096 722 R HA -0.085 4.255 4.340 -0.000 0.000 0.235 722 R C 2.223 178.443 176.300 -0.132 0.000 1.127 722 R CA 1.409 57.419 56.100 -0.149 0.000 0.968 722 R CB -0.392 29.840 30.300 -0.113 0.000 0.861 722 R HN 0.425 nan 8.270 nan 0.000 0.440 723 A N 0.701 123.473 122.820 -0.080 0.000 1.933 723 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 723 A C 2.340 179.884 177.584 -0.066 0.000 1.175 723 A CA 1.624 53.616 52.037 -0.074 0.000 0.628 723 A CB -0.709 18.253 19.000 -0.063 0.000 0.814 723 A HN 0.541 nan 8.150 nan 0.000 0.444 724 A N -0.275 122.526 122.820 -0.031 0.000 1.898 724 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 724 A C 2.143 179.732 177.584 0.009 0.000 1.181 724 A CA 1.925 53.974 52.037 0.021 0.000 0.620 724 A CB -0.443 18.620 19.000 0.105 0.000 0.819 724 A HN 0.540 nan 8.150 nan 0.000 0.442 725 K N -0.096 120.240 120.400 -0.107 0.000 2.057 725 K HA -0.181 4.139 4.320 -0.000 0.000 0.207 725 K C 1.833 178.331 176.600 -0.171 0.000 1.049 725 K CA 1.678 57.789 56.287 -0.292 0.000 0.931 725 K CB -0.182 31.785 32.500 -0.888 0.000 0.714 725 K HN 0.630 nan 8.250 nan 0.000 0.440 726 E N -0.807 119.304 120.200 -0.148 0.000 2.204 726 E HA -0.119 4.231 4.350 -0.000 0.000 0.194 726 E C 1.796 178.360 176.600 -0.060 0.000 0.989 726 E CA 0.941 57.281 56.400 -0.100 0.000 0.824 726 E CB -0.043 29.601 29.700 -0.093 0.000 0.756 726 E HN 0.503 nan 8.360 nan 0.000 0.477 727 G N -0.143 108.629 108.800 -0.047 0.000 2.650 727 G HA2 0.087 4.047 3.960 -0.000 0.000 0.214 727 G HA3 0.087 4.047 3.960 -0.000 0.000 0.214 727 G C 1.054 175.984 174.900 0.051 0.000 1.136 727 G CA 0.389 45.477 45.100 -0.019 0.000 0.789 727 G HN 0.413 nan 8.290 nan 0.000 0.536 728 G N -1.534 107.284 108.800 0.031 0.000 2.168 728 G HA2 0.183 4.143 3.960 -0.000 0.000 0.197 728 G HA3 0.183 4.143 3.960 -0.000 0.000 0.197 728 G C 0.482 175.315 174.900 -0.112 0.000 0.997 728 G CA 0.143 45.270 45.100 0.045 0.000 0.658 728 G HN 1.223 nan 8.290 nan 0.000 0.513 729 A N 0.263 122.955 122.820 -0.212 0.000 2.445 729 A HA 0.519 4.839 4.320 -0.000 0.000 0.242 729 A C 1.030 178.399 177.584 -0.358 0.000 1.075 729 A CA 0.795 52.405 52.037 -0.711 0.000 0.777 729 A CB 0.278 19.123 19.000 -0.259 0.000 1.013 729 A HN 0.236 nan 8.150 nan 0.000 0.493 730 D N 0.613 120.654 120.400 -0.598 0.000 2.340 730 D HA 0.295 4.935 4.640 -0.000 0.000 0.220 730 D C 0.788 176.958 176.300 -0.216 0.000 1.039 730 D CA 1.433 55.266 54.000 -0.278 0.000 0.866 730 D CB 0.432 41.007 40.800 -0.375 0.000 0.913 730 D HN 0.820 nan 8.370 nan 0.000 0.523 731 G N 0.063 108.675 108.800 -0.313 0.000 2.315 731 G HA2 0.347 4.307 3.960 -0.000 0.000 0.294 731 G HA3 0.347 4.307 3.960 -0.000 0.000 0.294 731 G C -1.580 173.168 174.900 -0.254 0.000 1.300 731 G CA -0.331 44.343 45.100 -0.709 0.000 0.843 731 G HN 0.089 nan 8.290 nan 0.000 0.527 732 V N -3.080 116.656 119.914 -0.297 0.000 3.007 732 V HA 0.921 5.041 4.120 -0.000 0.000 0.311 732 V C -0.310 175.724 176.094 -0.099 0.000 1.120 732 V CA -0.791 61.482 62.300 -0.046 0.000 0.980 732 V CB 1.628 33.498 31.823 0.078 0.000 1.033 732 V HN 0.974 nan 8.190 nan 0.000 0.429 733 T N 3.193 117.731 114.554 -0.027 0.000 2.749 733 T HA 0.787 5.137 4.350 -0.000 0.000 0.287 733 T C -0.032 174.662 174.700 -0.010 0.000 0.970 733 T CA 0.198 62.267 62.100 -0.053 0.000 0.980 733 T CB 1.123 69.984 68.868 -0.011 0.000 0.924 733 T HN 1.412 nan 8.240 nan 0.000 0.456 734 A N 3.393 126.202 122.820 -0.018 0.000 2.332 734 A HA 0.817 5.137 4.320 -0.000 0.000 0.300 734 A C 0.286 177.877 177.584 0.010 0.000 1.153 734 A CA -0.746 51.303 52.037 0.019 0.000 0.764 734 A CB 0.906 19.934 19.000 0.047 0.000 1.174 734 A HN 0.844 nan 8.150 nan 0.000 0.467 735 T N -0.525 114.038 114.554 0.016 0.000 2.778 735 T HA 0.518 4.868 4.350 -0.000 0.000 0.293 735 T C -0.167 174.546 174.700 0.022 0.000 1.144 735 T CA -0.871 61.246 62.100 0.028 0.000 1.010 735 T CB 1.149 70.045 68.868 0.046 0.000 1.325 735 T HN 0.454 nan 8.240 nan 0.000 0.515 736 N N 0.455 119.171 118.700 0.027 0.000 2.374 736 N HA 0.343 5.082 4.740 -0.000 0.000 0.284 736 N C 0.191 175.722 175.510 0.035 0.000 1.280 736 N CA 0.157 53.222 53.050 0.025 0.000 0.963 736 N CB 1.190 39.688 38.487 0.018 0.000 1.141 736 N HN 0.973 nan 8.380 nan 0.000 0.565 737 T N -1.674 112.905 114.554 0.041 0.000 2.856 737 T HA 0.248 4.598 4.350 -0.000 0.000 0.306 737 T C 0.444 175.179 174.700 0.059 0.000 1.062 737 T CA -0.647 61.490 62.100 0.061 0.000 1.083 737 T CB 0.328 69.249 68.868 0.089 0.000 0.984 737 T HN 0.118 nan 8.240 nan 0.000 0.542 738 V N 2.364 122.316 119.914 0.062 0.000 2.465 738 V HA 0.341 4.461 4.120 -0.000 0.000 0.279 738 V C 0.875 177.001 176.094 0.054 0.000 1.045 738 V CA -0.665 61.664 62.300 0.048 0.000 0.938 738 V CB 1.389 33.236 31.823 0.040 0.000 0.986 738 V HN 1.115 nan 8.190 nan 0.000 0.467 739 S N 3.428 119.149 115.700 0.035 0.000 2.516 739 S HA 0.599 5.069 4.470 -0.000 0.000 0.282 739 S C 0.270 174.862 174.600 -0.013 0.000 1.286 739 S CA 0.411 58.629 58.200 0.031 0.000 1.066 739 S CB -0.073 63.122 63.200 -0.010 0.000 0.884 739 S HN 1.201 nan 8.310 nan 0.000 0.491 740 G N 2.745 111.557 108.800 0.020 0.000 2.606 740 G HA2 0.545 4.505 3.960 -0.000 0.000 0.300 740 G HA3 0.545 4.505 3.960 -0.000 0.000 0.300 740 G C -2.201 172.750 174.900 0.085 0.000 1.360 740 G CA -0.720 44.383 45.100 0.005 0.000 0.783 740 G HN 0.731 nan 8.290 nan 0.000 0.484 741 L N 0.420 121.694 121.223 0.084 0.000 2.404 741 L HA 0.591 4.931 4.340 -0.000 0.000 0.272 741 L C 1.034 177.950 176.870 0.077 0.000 0.980 741 L CA -0.717 54.200 54.840 0.129 0.000 0.836 741 L CB 1.964 44.133 42.059 0.183 0.000 1.238 741 L HN 0.597 nan 8.230 nan 0.000 0.408 742 M N 2.964 122.604 119.600 0.067 0.000 2.476 742 M HA 0.438 4.918 4.480 -0.000 0.000 0.262 742 M C 0.597 176.942 176.300 0.075 0.000 1.079 742 M CA 0.861 56.198 55.300 0.061 0.000 1.104 742 M CB -0.479 32.157 32.600 0.060 0.000 1.409 742 M HN 0.696 nan 8.290 nan 0.000 0.467 743 G N -0.991 107.862 108.800 0.089 0.000 2.359 743 G HA2 0.296 4.256 3.960 -0.000 0.000 0.314 743 G HA3 0.296 4.256 3.960 -0.000 0.000 0.314 743 G C -1.966 173.001 174.900 0.111 0.000 1.364 743 G CA -0.939 44.215 45.100 0.090 0.000 0.978 743 G HN 0.258 nan 8.290 nan 0.000 0.615 744 L N -0.051 121.226 121.223 0.089 0.000 2.350 744 L HA 0.621 4.961 4.340 -0.000 0.000 0.260 744 L C 0.395 177.304 176.870 0.065 0.000 1.015 744 L CA -1.347 53.545 54.840 0.087 0.000 0.821 744 L CB 2.153 44.250 42.059 0.063 0.000 1.370 744 L HN 0.469 nan 8.230 nan 0.000 0.416 745 K N 0.450 120.885 120.400 0.057 0.000 2.118 745 K HA 0.356 4.676 4.320 -0.000 0.000 0.240 745 K C 0.890 177.500 176.600 0.017 0.000 1.035 745 K CA -0.065 56.236 56.287 0.022 0.000 0.899 745 K CB 0.925 33.428 32.500 0.004 0.000 1.085 745 K HN 0.749 nan 8.250 nan 0.000 0.498 746 A N 1.207 124.029 122.820 0.004 0.000 2.070 746 A HA -0.171 4.149 4.320 -0.000 0.000 0.220 746 A C 1.264 178.850 177.584 0.005 0.000 1.159 746 A CA 1.972 54.010 52.037 0.003 0.000 0.656 746 A CB -0.552 18.445 19.000 -0.005 0.000 0.800 746 A HN 0.791 nan 8.150 nan 0.000 0.453 747 D N -2.519 117.884 120.400 0.005 0.000 2.340 747 D HA 0.279 4.919 4.640 -0.000 0.000 0.220 747 D C 1.179 177.487 176.300 0.014 0.000 1.039 747 D CA 0.935 54.940 54.000 0.007 0.000 0.866 747 D CB -0.447 40.355 40.800 0.003 0.000 0.913 747 D HN 0.702 nan 8.370 nan 0.000 0.523 748 G N 0.133 108.945 108.800 0.021 0.000 2.217 748 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.246 748 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.246 748 G C 0.529 175.451 174.900 0.037 0.000 0.990 748 G CA 0.375 45.491 45.100 0.026 0.000 0.627 748 G HN 0.789 nan 8.290 nan 0.000 0.522 749 T N 0.919 115.499 114.554 0.043 0.000 2.913 749 T HA 0.623 4.973 4.350 -0.000 0.000 0.297 749 T C -1.633 173.124 174.700 0.096 0.000 1.029 749 T CA -0.743 61.394 62.100 0.062 0.000 1.104 749 T CB 2.610 71.517 68.868 0.066 0.000 0.964 749 T HN 0.312 nan 8.240 nan 0.000 0.532 750 P HA 0.286 nan 4.420 nan 0.000 0.282 750 P C -1.172 176.297 177.300 0.283 0.000 1.287 750 P CA -0.896 62.290 63.100 0.143 0.000 0.792 750 P CB 1.131 32.874 31.700 0.071 0.000 1.163 751 W N 1.792 123.097 121.300 0.008 0.000 3.036 751 W HA 0.258 4.918 4.660 -0.000 0.000 0.337 751 W C -2.685 173.842 176.519 0.013 0.000 1.055 751 W CA -2.194 55.158 57.345 0.012 0.000 1.248 751 W CB 2.258 31.730 29.460 0.021 0.000 1.335 751 W HN 0.274 nan 8.180 nan 0.000 0.446 752 P HA 0.268 nan 4.420 nan 0.000 0.272 752 P C -0.937 176.170 177.300 -0.321 0.000 1.223 752 P CA 0.069 62.617 63.100 -0.920 0.000 0.784 752 P CB 1.598 32.851 31.700 -0.744 0.000 0.923 753 A N 2.592 125.292 122.820 -0.199 0.000 2.335 753 A HA 0.535 4.855 4.320 -0.000 0.000 0.304 753 A C -0.664 176.914 177.584 -0.011 0.000 1.118 753 A CA -0.660 51.396 52.037 0.031 0.000 0.757 753 A CB 1.069 20.211 19.000 0.237 0.000 1.188 753 A HN 0.307 nan 8.150 nan 0.000 0.460 754 V N 2.480 122.375 119.914 -0.032 0.000 2.435 754 V HA 0.761 4.881 4.120 -0.000 0.000 0.290 754 V C 0.968 177.062 176.094 -0.001 0.000 1.030 754 V CA 0.783 63.066 62.300 -0.029 0.000 0.881 754 V CB 0.564 32.354 31.823 -0.055 0.000 0.983 754 V HN 2.120 nan 8.190 nan 0.000 0.445 755 G N 4.166 112.972 108.800 0.011 0.000 2.796 755 G HA2 0.112 4.072 3.960 -0.000 0.000 0.226 755 G HA3 0.112 4.072 3.960 -0.000 0.000 0.226 755 G C 0.788 175.703 174.900 0.025 0.000 1.381 755 G CA 0.025 45.134 45.100 0.015 0.000 0.867 755 G HN 1.496 nan 8.290 nan 0.000 0.552 756 A N -0.668 122.164 122.820 0.019 0.000 2.015 756 A HA 0.322 4.642 4.320 -0.000 0.000 0.219 756 A C 2.706 180.301 177.584 0.020 0.000 1.163 756 A CA 2.354 54.403 52.037 0.021 0.000 0.646 756 A CB -0.652 18.357 19.000 0.014 0.000 0.806 756 A HN 2.329 nan 8.150 nan 0.000 0.448 757 G N -0.993 107.816 108.800 0.014 0.000 2.744 757 G HA2 0.103 4.063 3.960 -0.000 0.000 0.211 757 G HA3 0.103 4.063 3.960 -0.000 0.000 0.211 757 G C 0.614 175.524 174.900 0.017 0.000 1.143 757 G CA 0.344 45.451 45.100 0.011 0.000 0.788 757 G HN 0.539 nan 8.290 nan 0.000 0.534 758 K N -0.021 120.395 120.400 0.028 0.000 3.278 758 K HA -0.190 4.130 4.320 -0.000 0.000 0.270 758 K C 0.252 176.866 176.600 0.024 0.000 0.955 758 K CA 0.423 56.737 56.287 0.044 0.000 0.723 758 K CB -0.938 31.598 32.500 0.059 0.000 1.382 758 K HN 0.464 nan 8.250 nan 0.000 0.461 759 R N -0.057 120.443 120.500 0.000 0.000 2.549 759 R HA 0.541 4.881 4.340 -0.000 0.000 0.267 759 R C 0.486 176.758 176.300 -0.047 0.000 1.045 759 R CA -0.432 55.653 56.100 -0.024 0.000 1.115 759 R CB 1.699 31.980 30.300 -0.032 0.000 1.121 759 R HN 0.203 nan 8.270 nan 0.000 0.543 760 T N -1.033 113.477 114.554 -0.073 0.000 2.711 760 T HA 0.366 4.716 4.350 -0.000 0.000 0.302 760 T C -1.441 173.170 174.700 -0.147 0.000 1.373 760 T CA -0.388 61.650 62.100 -0.104 0.000 1.000 760 T CB 2.058 70.872 68.868 -0.090 0.000 1.483 760 T HN 0.544 nan 8.240 nan 0.000 0.499 761 T N 0.243 114.694 114.554 -0.171 0.000 2.843 761 T HA 0.616 4.966 4.350 -0.000 0.000 0.302 761 T C -1.433 173.162 174.700 -0.175 0.000 1.232 761 T CA -0.507 61.450 62.100 -0.239 0.000 1.009 761 T CB 0.665 69.445 68.868 -0.147 0.000 1.254 761 T HN 0.518 nan 8.240 nan 0.000 0.504 762 Y N 1.075 121.365 120.300 -0.016 0.000 2.717 762 Y HA 0.391 4.941 4.550 -0.000 0.000 0.330 762 Y C 1.424 177.300 175.900 -0.039 0.000 1.217 762 Y CA 0.091 58.188 58.100 -0.005 0.000 1.506 762 Y CB 0.480 38.961 38.460 0.035 0.000 1.268 762 Y HN 0.761 nan 8.280 nan 0.000 0.561 763 G N 1.036 109.900 108.800 0.106 0.000 2.938 763 G HA2 0.593 4.553 3.960 -0.000 0.000 0.258 763 G HA3 0.593 4.553 3.960 -0.000 0.000 0.258 763 G C -0.699 174.305 174.900 0.174 0.000 1.356 763 G CA -0.711 44.348 45.100 -0.069 0.000 1.052 763 G HN 0.801 nan 8.290 nan 0.000 0.550 764 G N -1.034 107.886 108.800 0.201 0.000 2.417 764 G HA2 0.504 4.464 3.960 -0.000 0.000 0.320 764 G HA3 0.504 4.464 3.960 -0.000 0.000 0.320 764 G C -0.804 174.176 174.900 0.134 0.000 1.204 764 G CA -0.234 44.996 45.100 0.216 0.000 0.923 764 G HN 0.562 nan 8.290 nan 0.000 0.466 765 V N 2.171 122.148 119.914 0.105 0.000 2.465 765 V HA 0.617 4.737 4.120 -0.000 0.000 0.279 765 V C 0.547 176.703 176.094 0.103 0.000 1.045 765 V CA -0.334 62.023 62.300 0.094 0.000 0.938 765 V CB 0.877 32.739 31.823 0.065 0.000 0.986 765 V HN 0.998 nan 8.190 nan 0.000 0.467 766 S N 2.860 118.640 115.700 0.133 0.000 2.704 766 S HA 1.022 5.492 4.470 -0.000 0.000 0.296 766 S C -0.074 174.623 174.600 0.162 0.000 1.138 766 S CA -0.119 58.165 58.200 0.140 0.000 0.875 766 S CB 2.019 65.310 63.200 0.151 0.000 1.151 766 S HN 2.097 nan 8.310 nan 0.000 0.500 767 G N 0.347 109.240 108.800 0.155 0.000 2.566 767 G HA2 0.002 3.962 3.960 -0.000 0.000 0.599 767 G HA3 0.002 3.962 3.960 -0.000 0.000 0.599 767 G C 0.559 175.521 174.900 0.103 0.000 1.292 767 G CA 0.566 45.755 45.100 0.149 0.000 0.922 767 G HN 1.925 nan 8.290 nan 0.000 0.514 768 T N -1.841 112.764 114.554 0.086 0.000 2.929 768 T HA 0.189 4.539 4.350 -0.000 0.000 0.271 768 T C 2.554 177.290 174.700 0.060 0.000 1.085 768 T CA 2.450 64.597 62.100 0.079 0.000 1.125 768 T CB -0.323 68.582 68.868 0.062 0.000 0.874 768 T HN 2.101 nan 8.240 nan 0.000 0.494 769 A N 2.029 124.873 122.820 0.039 0.000 2.070 769 A HA 0.190 4.510 4.320 -0.000 0.000 0.220 769 A C 2.277 179.887 177.584 0.044 0.000 1.159 769 A CA 1.283 53.336 52.037 0.027 0.000 0.656 769 A CB -0.802 18.201 19.000 0.006 0.000 0.800 769 A HN 0.903 nan 8.150 nan 0.000 0.453 770 I N -4.543 116.066 120.570 0.064 0.000 3.956 770 I HA 0.258 4.428 4.170 -0.000 0.000 0.333 770 I C 1.810 177.991 176.117 0.106 0.000 1.302 770 I CA 0.154 61.499 61.300 0.074 0.000 1.122 770 I CB -0.035 38.010 38.000 0.075 0.000 1.013 770 I HN 0.169 nan 8.210 nan 0.000 0.405 771 R N 2.194 122.770 120.500 0.126 0.000 2.091 771 R HA -0.089 4.251 4.340 -0.000 0.000 0.238 771 R C -0.536 175.841 176.300 0.130 0.000 1.136 771 R CA 2.079 58.297 56.100 0.196 0.000 0.959 771 R CB -1.210 29.205 30.300 0.191 0.000 0.856 771 R HN 0.314 nan 8.270 nan 0.000 0.437 772 P HA -0.125 nan 4.420 nan 0.000 0.218 772 P C 1.022 178.343 177.300 0.036 0.000 1.148 772 P CA 1.294 64.409 63.100 0.026 0.000 0.822 772 P CB 0.001 31.713 31.700 0.020 0.000 0.784 773 I N -1.079 119.527 120.570 0.060 0.000 2.353 773 I HA -0.161 4.009 4.170 -0.000 0.000 0.248 773 I C 2.277 178.448 176.117 0.090 0.000 1.119 773 I CA 1.184 62.520 61.300 0.060 0.000 1.417 773 I CB -0.663 37.370 38.000 0.056 0.000 1.078 773 I HN -0.091 nan 8.210 nan 0.000 0.421 774 A N 0.833 123.743 122.820 0.150 0.000 1.897 774 A HA -0.099 4.221 4.320 -0.000 0.000 0.215 774 A C 2.311 180.060 177.584 0.275 0.000 1.181 774 A CA 1.096 53.278 52.037 0.242 0.000 0.620 774 A CB -0.714 18.488 19.000 0.337 0.000 0.821 774 A HN 0.332 nan 8.150 nan 0.000 0.443 775 L N -0.853 120.437 121.223 0.111 0.000 2.046 775 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 775 L C 2.849 179.688 176.870 -0.051 0.000 1.077 775 L CA 1.776 56.510 54.840 -0.177 0.000 0.747 775 L CB -0.381 41.472 42.059 -0.343 0.000 0.896 775 L HN 0.516 nan 8.230 nan 0.000 0.432 776 R N 0.137 120.635 120.500 -0.004 0.000 2.081 776 R HA -0.190 4.150 4.340 -0.000 0.000 0.235 776 R C 2.264 178.584 176.300 0.032 0.000 1.131 776 R CA 1.498 57.603 56.100 0.009 0.000 0.960 776 R CB -0.239 30.071 30.300 0.017 0.000 0.856 776 R HN 0.335 nan 8.270 nan 0.000 0.436 777 A N 0.485 123.340 122.820 0.058 0.000 1.877 777 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 777 A C 2.307 179.937 177.584 0.076 0.000 1.186 777 A CA 1.695 53.772 52.037 0.067 0.000 0.620 777 A CB -0.674 18.374 19.000 0.080 0.000 0.822 777 A HN 0.234 nan 8.150 nan 0.000 0.443 778 V N 0.705 120.684 119.914 0.108 0.000 2.295 778 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 778 V C 3.069 179.201 176.094 0.065 0.000 1.049 778 V CA 2.614 64.981 62.300 0.111 0.000 1.024 778 V CB -1.522 30.425 31.823 0.206 0.000 0.648 778 V HN 0.863 nan 8.190 nan 0.000 0.447 779 T N -1.036 113.538 114.554 0.035 0.000 2.746 779 T HA -0.238 4.112 4.350 -0.000 0.000 0.267 779 T C 1.928 176.644 174.700 0.026 0.000 1.039 779 T CA 2.197 64.309 62.100 0.020 0.000 1.142 779 T CB -1.009 67.859 68.868 -0.001 0.000 0.866 779 T HN 0.642 nan 8.240 nan 0.000 0.444 780 T N 0.883 115.454 114.554 0.028 0.000 2.788 780 T HA 0.051 4.401 4.350 -0.000 0.000 0.268 780 T C 2.078 176.797 174.700 0.033 0.000 1.044 780 T CA 1.077 63.192 62.100 0.026 0.000 1.139 780 T CB -0.808 68.075 68.868 0.025 0.000 0.867 780 T HN 0.459 nan 8.240 nan 0.000 0.454 781 I N 1.862 122.461 120.570 0.048 0.000 2.252 781 I HA -0.062 4.108 4.170 -0.000 0.000 0.245 781 I C 3.234 179.394 176.117 0.072 0.000 1.102 781 I CA 1.113 62.453 61.300 0.067 0.000 1.385 781 I CB -0.624 37.433 38.000 0.094 0.000 1.064 781 I HN 0.335 nan 8.210 nan 0.000 0.414 782 A N 0.961 123.818 122.820 0.062 0.000 1.940 782 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 782 A C 2.382 179.988 177.584 0.037 0.000 1.176 782 A CA 1.521 53.591 52.037 0.055 0.000 0.631 782 A CB -0.523 18.501 19.000 0.041 0.000 0.814 782 A HN 0.348 nan 8.150 nan 0.000 0.446 783 R N -0.807 119.707 120.500 0.025 0.000 2.093 783 R HA 0.069 4.409 4.340 -0.000 0.000 0.224 783 R C 2.418 178.722 176.300 0.006 0.000 1.101 783 R CA 1.030 57.136 56.100 0.010 0.000 0.979 783 R CB -0.337 29.966 30.300 0.005 0.000 0.877 783 R HN 0.490 nan 8.270 nan 0.000 0.441 784 A N 0.961 123.786 122.820 0.010 0.000 1.930 784 A HA 0.048 4.368 4.320 -0.000 0.000 0.215 784 A C 1.221 178.796 177.584 -0.015 0.000 1.176 784 A CA 0.737 52.771 52.037 -0.004 0.000 0.632 784 A CB 0.146 19.142 19.000 -0.005 0.000 0.819 784 A HN 0.140 nan 8.150 nan 0.000 0.445 785 L N 1.553 122.780 121.223 0.005 0.000 2.637 785 L HA 0.270 4.610 4.340 -0.000 0.000 0.241 785 L C -2.586 174.320 176.870 0.060 0.000 1.398 785 L CA -1.873 52.964 54.840 -0.006 0.000 0.895 785 L CB 1.095 43.126 42.059 -0.047 0.000 1.183 785 L HN 0.102 nan 8.230 nan 0.000 0.497 786 P HA 0.003 nan 4.420 nan 0.000 0.262 786 P C 0.982 178.322 177.300 0.066 0.000 1.182 786 P CA 1.203 64.328 63.100 0.041 0.000 0.761 786 P CB 1.316 33.024 31.700 0.014 0.000 0.795 787 G N 2.555 111.397 108.800 0.071 0.000 2.253 787 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.251 787 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.251 787 G C -0.088 174.893 174.900 0.136 0.000 0.998 787 G CA -0.192 44.953 45.100 0.076 0.000 0.621 787 G HN 0.543 nan 8.290 nan 0.000 0.524 788 F N 3.999 123.937 119.950 -0.019 0.000 2.502 788 F HA 0.543 5.070 4.527 -0.000 0.000 0.371 788 F C -1.589 174.196 175.800 -0.024 0.000 1.083 788 F CA -2.796 55.192 58.000 -0.019 0.000 1.174 788 F CB 0.587 39.574 39.000 -0.021 0.000 1.096 788 F HN -0.065 nan 8.300 nan 0.000 0.545 789 P HA 0.082 nan 4.420 nan 0.000 0.262 789 P C -0.748 176.280 177.300 -0.454 0.000 1.182 789 P CA 0.708 63.588 63.100 -0.366 0.000 0.761 789 P CB 0.268 31.782 31.700 -0.310 0.000 0.795 790 I N 3.925 124.309 120.570 -0.310 0.000 2.466 790 I HA 0.256 4.426 4.170 -0.000 0.000 0.289 790 I C -0.607 175.336 176.117 -0.290 0.000 1.026 790 I CA -0.895 60.252 61.300 -0.255 0.000 1.078 790 I CB 1.722 39.658 38.000 -0.106 0.000 1.249 790 I HN 0.026 nan 8.210 nan 0.000 0.429 791 L N 6.194 127.224 121.223 -0.321 0.000 2.265 791 L HA 0.621 4.961 4.340 -0.000 0.000 0.289 791 L C 0.430 177.192 176.870 -0.180 0.000 1.033 791 L CA -0.016 54.637 54.840 -0.312 0.000 0.814 791 L CB 1.387 43.214 42.059 -0.387 0.000 1.203 791 L HN 0.640 nan 8.230 nan 0.000 0.423 792 A N 2.232 124.948 122.820 -0.173 0.000 2.316 792 A HA 0.784 5.104 4.320 -0.000 0.000 0.284 792 A C 0.120 177.523 177.584 -0.301 0.000 1.115 792 A CA -0.221 51.681 52.037 -0.226 0.000 0.812 792 A CB 0.941 19.763 19.000 -0.297 0.000 1.064 792 A HN 0.617 nan 8.150 nan 0.000 0.489 793 T N -0.591 113.768 114.554 -0.326 0.000 3.193 793 T HA 0.580 4.930 4.350 -0.000 0.000 0.332 793 T C -0.569 174.009 174.700 -0.204 0.000 1.208 793 T CA 0.521 62.473 62.100 -0.245 0.000 1.080 793 T CB 0.709 69.520 68.868 -0.094 0.000 1.180 793 T HN 2.477 nan 8.240 nan 0.000 0.469 794 G N 1.564 110.256 108.800 -0.181 0.000 2.220 794 G HA2 0.472 4.432 3.960 -0.000 0.000 0.221 794 G HA3 0.472 4.432 3.960 -0.000 0.000 0.221 794 G C 0.779 175.710 174.900 0.053 0.000 2.189 794 G CA 0.521 45.608 45.100 -0.022 0.000 1.153 794 G HN 2.145 nan 8.290 nan 0.000 0.621 795 G N -0.051 108.787 108.800 0.063 0.000 2.132 795 G HA2 -0.205 3.754 3.960 -0.000 0.000 0.234 795 G HA3 -0.205 3.754 3.960 -0.000 0.000 0.234 795 G C 0.486 175.456 174.900 0.117 0.000 0.989 795 G CA 0.248 45.419 45.100 0.118 0.000 0.676 795 G HN 1.368 nan 8.290 nan 0.000 0.522 796 I N 1.871 122.453 120.570 0.021 0.000 2.379 796 I HA 0.305 4.475 4.170 -0.000 0.000 0.290 796 I C 0.561 176.684 176.117 0.011 0.000 1.063 796 I CA 0.332 61.635 61.300 0.005 0.000 1.351 796 I CB 0.851 38.782 38.000 -0.115 0.000 1.410 796 I HN 0.279 nan 8.210 nan 0.000 0.505 797 D N 3.708 124.103 120.400 -0.008 0.000 2.636 797 D HA 0.121 4.761 4.640 -0.000 0.000 0.270 797 D C -0.219 176.061 176.300 -0.033 0.000 1.430 797 D CA -0.168 53.856 54.000 0.039 0.000 0.796 797 D CB 0.340 41.217 40.800 0.129 0.000 1.117 797 D HN 0.468 nan 8.370 nan 0.000 0.480 798 S N -2.175 113.331 115.700 -0.325 0.000 2.627 798 S HA 0.580 5.050 4.470 -0.000 0.000 0.268 798 S C 0.777 175.232 174.600 -0.242 0.000 1.130 798 S CA -0.390 57.678 58.200 -0.220 0.000 0.819 798 S CB 0.960 64.172 63.200 0.021 0.000 1.100 798 S HN 0.131 nan 8.310 nan 0.000 0.465 799 A N 0.938 123.726 122.820 -0.053 0.000 1.902 799 A HA -0.047 4.273 4.320 -0.000 0.000 0.217 799 A C 1.980 179.622 177.584 0.096 0.000 1.181 799 A CA 1.832 53.932 52.037 0.105 0.000 0.623 799 A CB -1.084 18.001 19.000 0.141 0.000 0.818 799 A HN 0.921 nan 8.150 nan 0.000 0.443 800 E N 0.903 121.137 120.200 0.056 0.000 2.038 800 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 800 E C 2.273 178.907 176.600 0.056 0.000 1.000 800 E CA 2.157 58.587 56.400 0.050 0.000 0.803 800 E CB -0.272 29.450 29.700 0.037 0.000 0.750 800 E HN 0.666 nan 8.360 nan 0.000 0.448 801 S N -0.354 115.385 115.700 0.065 0.000 2.402 801 S HA -0.033 4.437 4.470 -0.000 0.000 0.229 801 S C 2.227 176.945 174.600 0.196 0.000 1.021 801 S CA 1.081 59.350 58.200 0.115 0.000 0.974 801 S CB -0.759 62.519 63.200 0.130 0.000 0.800 801 S HN 0.372 nan 8.310 nan 0.000 0.484 802 G N 2.040 110.925 108.800 0.141 0.000 2.418 802 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.217 802 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.217 802 G C 1.351 176.301 174.900 0.084 0.000 1.158 802 G CA 0.968 46.157 45.100 0.149 0.000 0.771 802 G HN 0.481 nan 8.290 nan 0.000 0.545 803 L N 0.559 121.792 121.223 0.017 0.000 2.131 803 L HA -0.056 4.284 4.340 -0.000 0.000 0.210 803 L C 2.810 179.581 176.870 -0.165 0.000 1.092 803 L CA 1.838 56.596 54.840 -0.137 0.000 0.759 803 L CB -0.612 41.354 42.059 -0.153 0.000 0.903 803 L HN 0.336 nan 8.230 nan 0.000 0.435 804 Q N -1.452 118.336 119.800 -0.020 0.000 2.084 804 Q HA -0.213 4.127 4.340 -0.000 0.000 0.202 804 Q C 2.171 178.127 176.000 -0.073 0.000 0.978 804 Q CA 1.998 57.786 55.803 -0.024 0.000 0.844 804 Q CB -0.276 28.415 28.738 -0.078 0.000 0.898 804 Q HN 0.515 nan 8.270 nan 0.000 0.426 805 F N 0.340 120.275 119.950 -0.024 0.000 2.259 805 F HA -0.117 4.410 4.527 -0.000 0.000 0.298 805 F C 1.992 177.764 175.800 -0.046 0.000 1.088 805 F CA 0.746 58.730 58.000 -0.027 0.000 1.358 805 F CB -0.047 38.928 39.000 -0.043 0.000 1.040 805 F HN 0.005 nan 8.300 nan 0.000 0.505 806 L N -0.975 120.289 121.223 0.069 0.000 2.017 806 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 806 L C 2.295 179.192 176.870 0.045 0.000 1.073 806 L CA 1.638 56.467 54.840 -0.018 0.000 0.745 806 L CB -0.977 41.007 42.059 -0.125 0.000 0.894 806 L HN 0.211 nan 8.230 nan 0.000 0.432 807 H N -1.134 117.943 119.070 0.011 0.000 2.457 807 H HA -0.119 4.437 4.556 -0.000 0.000 0.297 807 H C 2.247 177.575 175.328 -0.000 0.000 1.092 807 H CA 0.964 57.017 56.048 0.009 0.000 1.309 807 H CB 0.237 30.008 29.762 0.014 0.000 1.382 807 H HN 0.246 nan 8.280 nan 0.000 0.535 808 S N -1.140 114.624 115.700 0.106 0.000 2.561 808 S HA 0.069 4.539 4.470 -0.000 0.000 0.225 808 S C 1.649 176.277 174.600 0.046 0.000 0.977 808 S CA 0.658 58.880 58.200 0.038 0.000 0.926 808 S CB 0.620 63.788 63.200 -0.052 0.000 0.769 808 S HN 0.789 nan 8.310 nan 0.000 0.533 809 G N 0.492 109.324 108.800 0.053 0.000 2.260 809 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.179 809 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.179 809 G C 0.123 175.028 174.900 0.008 0.000 1.002 809 G CA -0.261 44.858 45.100 0.032 0.000 0.677 809 G HN 0.722 nan 8.290 nan 0.000 0.486 810 A N 0.331 123.164 122.820 0.022 0.000 2.304 810 A HA 0.819 5.139 4.320 -0.000 0.000 0.271 810 A C 1.322 178.845 177.584 -0.103 0.000 1.091 810 A CA 1.095 53.110 52.037 -0.036 0.000 0.812 810 A CB 0.942 19.953 19.000 0.017 0.000 1.056 810 A HN 0.739 nan 8.150 nan 0.000 0.489 811 S N -0.998 114.585 115.700 -0.195 0.000 2.545 811 S HA 0.223 4.693 4.470 -0.000 0.000 0.232 811 S C 0.654 175.041 174.600 -0.354 0.000 1.070 811 S CA 0.731 58.781 58.200 -0.249 0.000 0.923 811 S CB 0.053 63.085 63.200 -0.280 0.000 0.806 811 S HN 1.180 nan 8.310 nan 0.000 0.506 812 V N -0.056 119.607 119.914 -0.419 0.000 3.074 812 V HA 0.729 4.849 4.120 -0.000 0.000 0.314 812 V C -1.415 174.548 176.094 -0.219 0.000 1.117 812 V CA -1.170 60.866 62.300 -0.439 0.000 1.014 812 V CB 1.647 32.948 31.823 -0.870 0.000 1.057 812 V HN 0.170 nan 8.190 nan 0.000 0.438 813 L N 2.016 123.195 121.223 -0.074 0.000 2.372 813 L HA 0.599 4.939 4.340 -0.000 0.000 0.274 813 L C -0.241 176.693 176.870 0.107 0.000 0.988 813 L CA -0.425 54.380 54.840 -0.059 0.000 0.833 813 L CB 1.692 43.647 42.059 -0.174 0.000 1.236 813 L HN 0.705 nan 8.230 nan 0.000 0.410 814 Q N 2.348 122.178 119.800 0.050 0.000 2.235 814 Q HA 0.679 5.019 4.340 -0.000 0.000 0.250 814 Q C -0.992 175.019 176.000 0.019 0.000 0.909 814 Q CA -0.665 55.162 55.803 0.041 0.000 0.910 814 Q CB 3.050 31.819 28.738 0.052 0.000 1.223 814 Q HN 0.402 nan 8.270 nan 0.000 0.432 815 V N 1.172 121.117 119.914 0.051 0.000 2.709 815 V HA 0.310 4.430 4.120 -0.000 0.000 0.308 815 V C -0.253 175.854 176.094 0.021 0.000 1.062 815 V CA -0.595 61.766 62.300 0.102 0.000 0.901 815 V CB 1.643 33.678 31.823 0.353 0.000 1.003 815 V HN 1.118 nan 8.190 nan 0.000 0.425 816 C N 2.251 121.572 119.300 0.036 0.000 3.066 816 C HA 0.104 4.564 4.460 -0.000 0.000 0.277 816 C C 2.608 177.602 174.990 0.007 0.000 2.279 816 C CA 1.275 60.288 59.018 -0.008 0.000 1.720 816 C CB 0.525 28.251 27.740 -0.023 0.000 1.478 816 C HN 0.827 nan 8.230 nan 0.000 0.723 817 S N 1.772 117.504 115.700 0.053 0.000 2.387 817 S HA -0.119 4.350 4.470 -0.000 0.000 0.230 817 S C 1.978 176.690 174.600 0.187 0.000 1.035 817 S CA 1.778 60.052 58.200 0.124 0.000 1.014 817 S CB -0.619 62.763 63.200 0.303 0.000 0.836 817 S HN 0.884 nan 8.310 nan 0.000 0.466 818 A N 0.767 123.702 122.820 0.192 0.000 1.972 818 A HA -0.029 4.291 4.320 -0.000 0.000 0.219 818 A C 2.292 179.993 177.584 0.195 0.000 1.169 818 A CA 1.374 53.550 52.037 0.231 0.000 0.635 818 A CB -0.629 18.558 19.000 0.311 0.000 0.810 818 A HN 0.375 nan 8.150 nan 0.000 0.446 819 V N -0.306 119.695 119.914 0.145 0.000 2.488 819 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 819 V C 2.507 178.568 176.094 -0.055 0.000 1.046 819 V CA 1.894 64.228 62.300 0.057 0.000 1.053 819 V CB -0.753 31.078 31.823 0.013 0.000 0.679 819 V HN 0.625 nan 8.190 nan 0.000 0.458 820 Q N -0.081 119.662 119.800 -0.096 0.000 2.226 820 Q HA -0.175 4.165 4.340 -0.000 0.000 0.204 820 Q C 1.893 177.869 176.000 -0.041 0.000 0.975 820 Q CA 1.199 56.880 55.803 -0.204 0.000 0.866 820 Q CB -0.202 28.211 28.738 -0.541 0.000 0.915 820 Q HN 0.569 nan 8.270 nan 0.000 0.440 821 N N -0.492 118.277 118.700 0.114 0.000 2.446 821 N HA -0.065 4.675 4.740 -0.000 0.000 0.179 821 N C 1.001 176.568 175.510 0.095 0.000 1.054 821 N CA 0.738 53.907 53.050 0.198 0.000 0.905 821 N CB 0.530 39.159 38.487 0.238 0.000 0.973 821 N HN 0.189 nan 8.380 nan 0.000 0.448 822 Q N -0.104 119.722 119.800 0.044 0.000 2.209 822 Q HA 0.190 4.530 4.340 -0.000 0.000 0.201 822 Q C -1.452 174.517 176.000 -0.051 0.000 0.732 822 Q CA 0.085 55.895 55.803 0.011 0.000 0.555 822 Q CB 0.583 29.341 28.738 0.034 0.000 2.685 822 Q HN 0.206 nan 8.270 nan 0.000 0.224 823 D N -2.329 118.041 120.400 -0.050 0.000 2.738 823 D HA 0.183 4.823 4.640 -0.000 0.000 0.308 823 D C -0.277 176.035 176.300 0.020 0.000 1.311 823 D CA -0.608 53.310 54.000 -0.137 0.000 0.799 823 D CB -0.569 40.173 40.800 -0.098 0.000 1.332 823 D HN 0.236 nan 8.370 nan 0.000 0.441 824 F N -0.285 119.725 119.950 0.099 0.000 2.333 824 F HA -0.085 4.442 4.527 -0.000 0.000 0.300 824 F C 2.556 178.513 175.800 0.261 0.000 1.083 824 F CA 1.129 59.290 58.000 0.270 0.000 1.395 824 F CB -0.067 39.054 39.000 0.201 0.000 1.056 824 F HN 0.551 nan 8.300 nan 0.000 0.529 825 T N -1.931 112.765 114.554 0.237 0.000 3.025 825 T HA -0.131 4.219 4.350 -0.000 0.000 0.270 825 T C 1.855 176.481 174.700 -0.123 0.000 1.126 825 T CA 1.029 63.163 62.100 0.057 0.000 1.105 825 T CB -1.188 67.691 68.868 0.018 0.000 0.884 825 T HN 0.270 nan 8.240 nan 0.000 0.522 826 V N -0.510 119.304 119.914 -0.167 0.000 2.688 826 V HA -0.061 4.059 4.120 -0.000 0.000 0.256 826 V C 2.328 177.799 176.094 -1.039 0.000 1.084 826 V CA 1.179 63.153 62.300 -0.543 0.000 1.103 826 V CB -1.404 30.087 31.823 -0.552 0.000 0.688 826 V HN 0.447 nan 8.190 nan 0.000 0.480 827 I N 0.960 121.005 120.570 -0.874 0.000 2.264 827 I HA -0.236 3.934 4.170 -0.000 0.000 0.248 827 I C 2.529 178.249 176.117 -0.662 0.000 1.111 827 I CA 2.153 62.777 61.300 -1.126 0.000 1.382 827 I CB -0.662 36.504 38.000 -1.390 0.000 1.060 827 I HN 0.480 nan 8.210 nan 0.000 0.418 828 Q N 0.387 119.934 119.800 -0.421 0.000 2.084 828 Q HA -0.295 4.045 4.340 -0.000 0.000 0.202 828 Q C 1.887 177.756 176.000 -0.220 0.000 0.978 828 Q CA 2.461 58.120 55.803 -0.239 0.000 0.844 828 Q CB -0.496 28.154 28.738 -0.147 0.000 0.898 828 Q HN 0.691 nan 8.270 nan 0.000 0.426 829 D N -0.916 119.309 120.400 -0.291 0.000 2.117 829 D HA -0.159 4.481 4.640 -0.000 0.000 0.198 829 D C 1.841 178.082 176.300 -0.098 0.000 0.982 829 D CA 1.379 55.274 54.000 -0.175 0.000 0.828 829 D CB -0.304 40.389 40.800 -0.179 0.000 0.967 829 D HN 0.455 nan 8.370 nan 0.000 0.464 830 Y N -0.302 119.753 120.300 -0.409 0.000 2.181 830 Y HA -0.187 4.363 4.550 -0.000 0.000 0.288 830 Y C 2.774 178.388 175.900 -0.476 0.000 1.146 830 Y CA 0.385 58.079 58.100 -0.677 0.000 1.164 830 Y CB -0.259 37.270 38.460 -1.551 0.000 0.982 830 Y HN 0.191 nan 8.280 nan 0.000 0.515 831 C N -0.179 119.000 119.300 -0.201 0.000 2.476 831 C HA -0.158 4.302 4.460 -0.000 0.000 0.278 831 C C 2.968 178.014 174.990 0.094 0.000 1.274 831 C CA 1.773 60.808 59.018 0.028 0.000 1.713 831 C CB -1.201 26.541 27.740 0.003 0.000 2.039 831 C HN 0.671 nan 8.230 nan 0.000 0.484 832 T N -0.720 113.879 114.554 0.075 0.000 2.867 832 T HA -0.026 4.324 4.350 -0.000 0.000 0.268 832 T C 1.901 176.735 174.700 0.223 0.000 1.057 832 T CA 1.783 63.993 62.100 0.184 0.000 1.136 832 T CB -0.703 68.273 68.868 0.180 0.000 0.874 832 T HN 0.523 nan 8.240 nan 0.000 0.466 833 G N 1.357 110.252 108.800 0.157 0.000 2.402 833 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.216 833 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.216 833 G C 1.432 176.422 174.900 0.149 0.000 1.162 833 G CA 0.796 45.989 45.100 0.156 0.000 0.777 833 G HN 0.459 nan 8.290 nan 0.000 0.539 834 L N 0.575 121.904 121.223 0.177 0.000 2.093 834 L HA 0.146 4.485 4.340 -0.000 0.000 0.208 834 L C 2.688 179.635 176.870 0.129 0.000 1.085 834 L CA 1.766 56.716 54.840 0.184 0.000 0.755 834 L CB -0.439 41.800 42.059 0.301 0.000 0.904 834 L HN 0.116 nan 8.230 nan 0.000 0.435 835 K N -0.572 119.901 120.400 0.120 0.000 2.057 835 K HA -0.130 4.190 4.320 -0.000 0.000 0.207 835 K C 2.084 178.703 176.600 0.032 0.000 1.049 835 K CA 1.390 57.721 56.287 0.072 0.000 0.931 835 K CB -0.402 32.130 32.500 0.052 0.000 0.714 835 K HN 0.466 nan 8.250 nan 0.000 0.440 836 A N 1.441 124.258 122.820 -0.006 0.000 1.902 836 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 836 A C 2.143 179.781 177.584 0.090 0.000 1.181 836 A CA 1.226 53.232 52.037 -0.051 0.000 0.623 836 A CB -0.645 18.350 19.000 -0.008 0.000 0.818 836 A HN 0.156 nan 8.150 nan 0.000 0.443 837 L N -0.603 120.681 121.223 0.102 0.000 2.046 837 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 837 L C 2.513 179.438 176.870 0.092 0.000 1.077 837 L CA 1.106 56.009 54.840 0.105 0.000 0.747 837 L CB -0.462 41.652 42.059 0.091 0.000 0.896 837 L HN 0.389 nan 8.230 nan 0.000 0.432 838 L N -2.076 119.199 121.223 0.087 0.000 2.109 838 L HA -0.218 4.122 4.340 -0.000 0.000 0.207 838 L C 2.566 179.477 176.870 0.070 0.000 1.086 838 L CA 1.011 55.892 54.840 0.070 0.000 0.760 838 L CB -0.657 41.440 42.059 0.064 0.000 0.910 838 L HN 0.194 nan 8.230 nan 0.000 0.437 839 Y N 1.161 121.441 120.300 -0.033 0.000 2.145 839 Y HA -0.228 4.322 4.550 -0.000 0.000 0.286 839 Y C 2.363 178.230 175.900 -0.055 0.000 1.145 839 Y CA 1.532 59.599 58.100 -0.055 0.000 1.148 839 Y CB -0.199 38.200 38.460 -0.100 0.000 0.981 839 Y HN -0.022 nan 8.280 nan 0.000 0.507 840 L N 0.293 121.560 121.223 0.074 0.000 2.261 840 L HA -0.235 4.105 4.340 -0.000 0.000 0.216 840 L C 2.115 178.920 176.870 -0.108 0.000 1.114 840 L CA 1.398 56.218 54.840 -0.035 0.000 0.777 840 L CB -0.510 41.575 42.059 0.044 0.000 0.910 840 L HN 0.196 nan 8.230 nan 0.000 0.440 841 K N -0.209 120.150 120.400 -0.068 0.000 2.442 841 K HA -0.079 4.241 4.320 -0.000 0.000 0.198 841 K C 2.000 178.530 176.600 -0.117 0.000 1.042 841 K CA 1.295 57.546 56.287 -0.060 0.000 0.958 841 K CB -0.011 32.484 32.500 -0.008 0.000 0.766 841 K HN 0.364 nan 8.250 nan 0.000 0.474 842 S N -0.067 115.512 115.700 -0.202 0.000 2.540 842 S HA 0.137 4.607 4.470 -0.000 0.000 0.218 842 S C 0.562 175.007 174.600 -0.258 0.000 0.977 842 S CA -0.417 57.648 58.200 -0.226 0.000 0.918 842 S CB 0.230 63.264 63.200 -0.275 0.000 0.806 842 S HN -0.042 nan 8.310 nan 0.000 0.496 843 I N 3.084 123.486 120.570 -0.281 0.000 2.291 843 I HA 0.323 4.493 4.170 -0.000 0.000 0.292 843 I C 1.405 177.358 176.117 -0.275 0.000 1.064 843 I CA -0.181 60.951 61.300 -0.279 0.000 1.269 843 I CB 0.586 38.429 38.000 -0.262 0.000 1.418 843 I HN 0.412 nan 8.210 nan 0.000 0.485 844 E N 5.549 125.591 120.200 -0.264 0.000 2.118 844 E HA -0.207 4.143 4.350 -0.000 0.000 0.195 844 E C 1.247 177.670 176.600 -0.296 0.000 0.992 844 E CA 1.309 57.567 56.400 -0.237 0.000 0.804 844 E CB 0.455 30.037 29.700 -0.197 0.000 0.741 844 E HN 0.615 nan 8.360 nan 0.000 0.458 845 E N 0.221 120.132 120.200 -0.482 0.000 2.511 845 E HA -0.119 4.231 4.350 -0.000 0.000 0.196 845 E C 1.242 177.583 176.600 -0.432 0.000 1.066 845 E CA 0.432 56.504 56.400 -0.546 0.000 0.871 845 E CB 0.052 29.136 29.700 -1.028 0.000 0.863 845 E HN 0.408 nan 8.360 nan 0.000 0.520 846 L N 0.876 121.843 121.223 -0.427 0.000 3.110 846 L HA 0.205 4.545 4.340 -0.000 0.000 0.266 846 L C 1.631 178.348 176.870 -0.255 0.000 1.257 846 L CA -0.123 54.399 54.840 -0.529 0.000 1.038 846 L CB 0.222 41.758 42.059 -0.872 0.000 1.395 846 L HN -0.089 nan 8.230 nan 0.000 0.566 847 Q N 0.340 120.069 119.800 -0.118 0.000 2.369 847 Q HA -0.034 4.306 4.340 -0.000 0.000 0.206 847 Q C 2.032 178.081 176.000 0.081 0.000 0.963 847 Q CA 1.116 56.906 55.803 -0.023 0.000 0.894 847 Q CB 0.141 28.853 28.738 -0.044 0.000 0.965 847 Q HN 0.620 nan 8.270 nan 0.000 0.475 848 G N -0.401 108.493 108.800 0.157 0.000 2.813 848 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.209 848 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.209 848 G C -0.331 174.763 174.900 0.323 0.000 1.150 848 G CA -0.383 44.843 45.100 0.209 0.000 0.785 848 G HN 0.094 nan 8.290 nan 0.000 0.535 849 W N 0.363 121.682 121.300 0.032 0.000 2.237 849 W HA 0.477 5.137 4.660 -0.000 0.000 0.335 849 W C -0.472 176.080 176.519 0.055 0.000 1.230 849 W CA -1.453 55.926 57.345 0.056 0.000 1.253 849 W CB 0.781 30.286 29.460 0.075 0.000 1.129 849 W HN -0.081 nan 8.180 nan 0.000 0.590 850 D N 0.987 121.549 120.400 0.269 0.000 2.473 850 D HA 0.417 5.057 4.640 -0.000 0.000 0.226 850 D C 0.864 177.295 176.300 0.217 0.000 1.089 850 D CA 0.823 54.932 54.000 0.182 0.000 0.883 850 D CB 0.078 40.944 40.800 0.110 0.000 1.029 850 D HN 0.552 nan 8.370 nan 0.000 0.517 851 G N 3.913 112.847 108.800 0.224 0.000 2.561 851 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.289 851 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.289 851 G C 0.743 175.847 174.900 0.341 0.000 1.169 851 G CA 0.338 45.569 45.100 0.217 0.000 0.980 851 G HN 0.543 nan 8.290 nan 0.000 0.550 852 Q N 0.489 120.474 119.800 0.308 0.000 2.403 852 Q HA 0.311 4.651 4.340 -0.000 0.000 0.203 852 Q C 0.516 176.842 176.000 0.544 0.000 0.932 852 Q CA 0.489 56.571 55.803 0.465 0.000 0.945 852 Q CB 0.377 29.272 28.738 0.262 0.000 1.045 852 Q HN 0.299 nan 8.270 nan 0.000 0.511 853 S N 2.522 118.438 115.700 0.359 0.000 2.422 853 S HA 0.307 4.777 4.470 -0.000 0.000 0.298 853 S C -2.310 172.105 174.600 -0.309 0.000 1.118 853 S CA -1.179 57.111 58.200 0.150 0.000 1.083 853 S CB 1.037 64.347 63.200 0.184 0.000 0.971 853 S HN 0.029 nan 8.310 nan 0.000 0.478 854 P HA 0.159 nan 4.420 nan 0.000 0.272 854 P C 0.251 177.178 177.300 -0.621 0.000 1.230 854 P CA -0.255 61.874 63.100 -1.617 0.000 0.788 854 P CB 0.362 31.257 31.700 -1.342 0.000 0.949 855 G N 0.826 109.374 108.800 -0.421 0.000 2.340 855 G HA2 0.156 4.116 3.960 -0.000 0.000 0.245 855 G HA3 0.156 4.116 3.960 -0.000 0.000 0.245 855 G C -0.243 174.584 174.900 -0.121 0.000 1.294 855 G CA -0.083 44.936 45.100 -0.135 0.000 0.896 855 G HN 0.355 nan 8.290 nan 0.000 0.522 856 T N 3.093 117.610 114.554 -0.061 0.000 2.853 856 T HA 0.153 4.503 4.350 -0.000 0.000 0.298 856 T C 0.226 174.932 174.700 0.010 0.000 0.978 856 T CA 0.149 62.230 62.100 -0.031 0.000 1.152 856 T CB 0.791 69.667 68.868 0.013 0.000 0.914 856 T HN 0.468 nan 8.240 nan 0.000 0.539 857 E N 2.117 122.326 120.200 0.016 0.000 2.242 857 E HA 0.284 4.634 4.350 -0.000 0.000 0.275 857 E C 0.002 176.683 176.600 0.136 0.000 1.002 857 E CA -0.542 55.890 56.400 0.053 0.000 0.841 857 E CB 1.271 30.990 29.700 0.031 0.000 1.109 857 E HN 0.477 nan 8.360 nan 0.000 0.394 858 S N 3.035 118.799 115.700 0.107 0.000 2.575 858 S HA 0.040 4.510 4.470 -0.000 0.000 0.295 858 S C 0.221 174.912 174.600 0.152 0.000 1.267 858 S CA 0.212 58.474 58.200 0.103 0.000 1.074 858 S CB -0.243 62.984 63.200 0.045 0.000 0.829 858 S HN 0.500 nan 8.310 nan 0.000 0.497 859 H N 1.369 120.448 119.070 0.015 0.000 2.960 859 H HA 0.539 5.095 4.556 -0.000 0.000 0.323 859 H C -1.592 173.749 175.328 0.020 0.000 1.326 859 H CA -1.090 54.969 56.048 0.018 0.000 1.124 859 H CB 1.075 30.847 29.762 0.017 0.000 1.853 859 H HN 0.407 nan 8.280 nan 0.000 0.536 860 Q N 0.788 120.554 119.800 -0.057 0.000 2.263 860 Q HA 0.231 4.571 4.340 -0.000 0.000 0.266 860 Q C -0.648 175.416 176.000 0.107 0.000 1.002 860 Q CA -0.504 55.257 55.803 -0.071 0.000 0.790 860 Q CB 2.328 31.051 28.738 -0.025 0.000 1.272 860 Q HN 0.848 nan 8.270 nan 0.000 0.435 861 K N 0.903 121.386 120.400 0.138 0.000 3.160 861 K HA -0.293 4.027 4.320 -0.000 0.000 0.280 861 K C 0.729 177.440 176.600 0.185 0.000 1.154 861 K CA 0.750 57.122 56.287 0.143 0.000 0.822 861 K CB -1.460 31.090 32.500 0.084 0.000 1.239 861 K HN 1.139 nan 8.250 nan 0.000 0.489 862 G N -0.102 108.922 108.800 0.373 0.000 2.205 862 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.261 862 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.261 862 G C -0.099 174.859 174.900 0.097 0.000 0.980 862 G CA 0.836 45.988 45.100 0.088 0.000 0.632 862 G HN 0.319 nan 8.290 nan 0.000 0.533 863 K N 2.206 122.702 120.400 0.161 0.000 2.234 863 K HA 0.419 4.739 4.320 -0.000 0.000 0.277 863 K C -2.324 174.360 176.600 0.140 0.000 1.038 863 K CA -1.800 54.558 56.287 0.119 0.000 0.888 863 K CB 1.766 34.325 32.500 0.099 0.000 1.091 863 K HN 0.110 nan 8.250 nan 0.000 0.467 864 P HA -0.091 nan 4.420 nan 0.000 0.262 864 P C -0.068 177.281 177.300 0.082 0.000 1.182 864 P CA -0.045 63.117 63.100 0.103 0.000 0.761 864 P CB 0.464 32.205 31.700 0.068 0.000 0.795 865 V N 6.525 126.483 119.914 0.072 0.000 2.637 865 V HA 0.067 4.187 4.120 -0.000 0.000 0.296 865 V C -1.613 174.504 176.094 0.038 0.000 1.046 865 V CA -1.029 61.297 62.300 0.044 0.000 1.066 865 V CB -0.295 31.543 31.823 0.024 0.000 0.968 865 V HN 0.577 nan 8.190 nan 0.000 0.483 866 P HA 0.200 nan 4.420 nan 0.000 0.268 866 P C -0.147 177.169 177.300 0.025 0.000 1.204 866 P CA -0.063 63.056 63.100 0.032 0.000 0.768 866 P CB 0.280 31.996 31.700 0.028 0.000 0.842 867 R N 2.934 123.450 120.500 0.028 0.000 4.394 867 R HA 0.277 4.617 4.340 -0.000 0.000 0.257 867 R C -0.005 176.307 176.300 0.020 0.000 1.727 867 R CA -0.275 55.839 56.100 0.023 0.000 1.497 867 R CB -0.471 29.845 30.300 0.026 0.000 1.406 867 R HN 0.504 nan 8.270 nan 0.000 0.745 868 I N 0.453 121.033 120.570 0.017 0.000 2.395 868 I HA 0.093 4.263 4.170 -0.000 0.000 0.289 868 I C 1.526 177.649 176.117 0.010 0.000 1.023 868 I CA -0.224 61.085 61.300 0.015 0.000 1.350 868 I CB 1.691 39.700 38.000 0.014 0.000 1.409 868 I HN 0.320 nan 8.210 nan 0.000 0.507 869 A N 4.848 127.674 122.820 0.010 0.000 1.908 869 A HA -0.188 4.132 4.320 -0.000 0.000 0.218 869 A C 1.860 179.446 177.584 0.003 0.000 1.181 869 A CA 1.556 53.597 52.037 0.007 0.000 0.627 869 A CB -0.490 18.514 19.000 0.007 0.000 0.818 869 A HN 0.817 nan 8.150 nan 0.000 0.445 870 E N -0.650 119.552 120.200 0.003 0.000 2.515 870 E HA 0.044 4.394 4.350 -0.000 0.000 0.201 870 E C 1.364 177.962 176.600 -0.003 0.000 1.071 870 E CA 0.388 56.789 56.400 0.001 0.000 0.880 870 E CB -0.093 29.608 29.700 0.001 0.000 0.828 870 E HN 0.670 nan 8.360 nan 0.000 0.540 871 L N -0.802 120.419 121.223 -0.003 0.000 2.624 871 L HA 0.179 4.519 4.340 -0.000 0.000 0.222 871 L C 0.252 177.114 176.870 -0.012 0.000 1.046 871 L CA -0.271 54.564 54.840 -0.008 0.000 0.872 871 L CB 0.170 42.225 42.059 -0.006 0.000 1.190 871 L HN 0.170 nan 8.230 nan 0.000 0.487 872 M N 1.000 120.596 119.600 -0.007 0.000 2.269 872 M HA 0.134 4.614 4.480 -0.000 0.000 0.350 872 M C 1.227 177.520 176.300 -0.011 0.000 1.429 872 M CA 0.583 55.879 55.300 -0.008 0.000 1.063 872 M CB -0.948 31.651 32.600 -0.001 0.000 1.841 872 M HN 0.323 nan 8.290 nan 0.000 0.455 873 G N 3.439 112.229 108.800 -0.016 0.000 2.273 873 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.280 873 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.280 873 G C 0.701 175.587 174.900 -0.024 0.000 1.047 873 G CA 0.052 45.141 45.100 -0.018 0.000 0.869 873 G HN 0.674 nan 8.290 nan 0.000 0.502 874 K N 0.042 120.422 120.400 -0.033 0.000 2.374 874 K HA 0.151 4.471 4.320 -0.000 0.000 0.202 874 K C 1.227 177.791 176.600 -0.060 0.000 1.040 874 K CA 0.145 56.411 56.287 -0.035 0.000 1.085 874 K CB 0.325 32.809 32.500 -0.026 0.000 0.873 874 K HN 0.542 nan 8.250 nan 0.000 0.539 875 K N 1.095 121.443 120.400 -0.085 0.000 3.244 875 K HA -0.168 4.152 4.320 -0.000 0.000 0.270 875 K C -0.546 175.910 176.600 -0.240 0.000 1.016 875 K CA 0.524 56.723 56.287 -0.147 0.000 0.754 875 K CB -2.134 30.287 32.500 -0.132 0.000 1.326 875 K HN 0.209 nan 8.250 nan 0.000 0.465 876 L N 1.902 123.006 121.223 -0.198 0.000 2.371 876 L HA 0.260 4.600 4.340 -0.000 0.000 0.262 876 L C -1.486 175.216 176.870 -0.280 0.000 1.054 876 L CA -1.752 52.956 54.840 -0.219 0.000 0.924 876 L CB 0.811 42.825 42.059 -0.076 0.000 1.295 876 L HN -0.020 nan 8.230 nan 0.000 0.441 877 P HA 0.005 nan 4.420 nan 0.000 0.273 877 P C -0.588 176.506 177.300 -0.343 0.000 1.250 877 P CA -0.372 62.470 63.100 -0.430 0.000 0.793 877 P CB 0.830 32.132 31.700 -0.664 0.000 1.011 878 N N 0.787 119.420 118.700 -0.112 0.000 3.091 878 N HA 0.181 4.921 4.740 -0.000 0.000 0.301 878 N C -0.393 175.202 175.510 0.142 0.000 1.325 878 N CA 0.257 53.308 53.050 0.003 0.000 1.143 878 N CB -0.826 37.694 38.487 0.055 0.000 1.450 878 N HN 0.391 nan 8.380 nan 0.000 0.542 879 F N -3.152 116.831 119.950 0.055 0.000 2.773 879 F HA 0.625 5.152 4.527 -0.000 0.000 0.314 879 F C 0.700 176.490 175.800 -0.016 0.000 1.160 879 F CA -0.763 57.259 58.000 0.036 0.000 0.920 879 F CB 0.408 39.453 39.000 0.074 0.000 1.323 879 F HN 0.105 nan 8.300 nan 0.000 0.457 880 G N 1.034 109.957 108.800 0.205 0.000 2.582 880 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.300 880 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.300 880 G C -1.544 173.209 174.900 -0.245 0.000 1.300 880 G CA 0.162 45.216 45.100 -0.078 0.000 0.959 880 G HN 0.831 nan 8.290 nan 0.000 0.548 881 P HA -0.128 nan 4.420 nan 0.000 0.219 881 P C 1.343 178.393 177.300 -0.416 0.000 1.146 881 P CA 2.303 65.147 63.100 -0.426 0.000 0.808 881 P CB -0.178 31.215 31.700 -0.511 0.000 0.779 882 Y N -0.293 119.820 120.300 -0.312 0.000 2.242 882 Y HA -0.116 4.434 4.550 -0.000 0.000 0.291 882 Y C 2.636 178.397 175.900 -0.231 0.000 1.137 882 Y CA 0.235 58.150 58.100 -0.308 0.000 1.181 882 Y CB -1.275 36.891 38.460 -0.491 0.000 0.989 882 Y HN -0.116 nan 8.280 nan 0.000 0.527 883 L N 0.661 121.838 121.223 -0.076 0.000 2.046 883 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 883 L C 2.145 178.992 176.870 -0.039 0.000 1.077 883 L CA 1.763 56.577 54.840 -0.045 0.000 0.747 883 L CB -0.703 41.347 42.059 -0.015 0.000 0.896 883 L HN 0.210 nan 8.230 nan 0.000 0.432 884 E N -1.058 119.106 120.200 -0.059 0.000 2.085 884 E HA -0.278 4.072 4.350 -0.000 0.000 0.194 884 E C 2.147 178.726 176.600 -0.035 0.000 0.994 884 E CA 1.520 57.896 56.400 -0.041 0.000 0.801 884 E CB -0.026 29.640 29.700 -0.056 0.000 0.743 884 E HN 0.655 nan 8.360 nan 0.000 0.453 885 Q N -0.216 119.554 119.800 -0.049 0.000 2.079 885 Q HA -0.132 4.208 4.340 -0.000 0.000 0.200 885 Q C 2.247 178.235 176.000 -0.019 0.000 0.974 885 Q CA 1.048 56.831 55.803 -0.033 0.000 0.840 885 Q CB -0.023 28.697 28.738 -0.031 0.000 0.898 885 Q HN 0.169 nan 8.270 nan 0.000 0.430 886 R N 0.781 121.269 120.500 -0.019 0.000 2.083 886 R HA -0.133 4.207 4.340 -0.000 0.000 0.237 886 R C 2.203 178.497 176.300 -0.009 0.000 1.137 886 R CA 1.346 57.437 56.100 -0.014 0.000 0.951 886 R CB -0.145 30.144 30.300 -0.019 0.000 0.851 886 R HN 0.147 nan 8.270 nan 0.000 0.434 887 K N 0.690 121.085 120.400 -0.009 0.000 2.057 887 K HA -0.180 4.140 4.320 -0.000 0.000 0.207 887 K C 2.127 178.726 176.600 -0.002 0.000 1.049 887 K CA 1.276 57.561 56.287 -0.004 0.000 0.931 887 K CB -0.088 32.412 32.500 -0.001 0.000 0.714 887 K HN 0.077 nan 8.250 nan 0.000 0.440 888 K N 1.343 121.741 120.400 -0.004 0.000 2.026 888 K HA -0.124 4.196 4.320 -0.000 0.000 0.208 888 K C 1.993 178.591 176.600 -0.003 0.000 1.048 888 K CA 1.259 57.544 56.287 -0.004 0.000 0.929 888 K CB -0.044 32.450 32.500 -0.009 0.000 0.713 888 K HN 0.051 nan 8.250 nan 0.000 0.439 889 I N 0.886 121.454 120.570 -0.004 0.000 2.315 889 I HA -0.262 3.908 4.170 -0.000 0.000 0.248 889 I C 2.169 178.289 176.117 0.004 0.000 1.117 889 I CA 1.034 62.334 61.300 -0.001 0.000 1.404 889 I CB -0.153 37.845 38.000 -0.002 0.000 1.071 889 I HN 0.203 nan 8.210 nan 0.000 0.419 890 I N 0.724 121.297 120.570 0.004 0.000 2.252 890 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 890 I C 2.800 178.922 176.117 0.009 0.000 1.102 890 I CA 1.256 62.561 61.300 0.008 0.000 1.385 890 I CB -0.446 37.558 38.000 0.007 0.000 1.064 890 I HN 0.164 nan 8.210 nan 0.000 0.414 891 A N 0.192 123.013 122.820 0.003 0.000 1.902 891 A HA -0.248 4.072 4.320 -0.000 0.000 0.217 891 A C 2.280 179.868 177.584 0.007 0.000 1.181 891 A CA 1.732 53.769 52.037 0.000 0.000 0.623 891 A CB -0.588 18.410 19.000 -0.004 0.000 0.818 891 A HN 0.438 nan 8.150 nan 0.000 0.443 892 E N -0.695 119.509 120.200 0.007 0.000 2.077 892 E HA -0.256 4.094 4.350 -0.000 0.000 0.193 892 E C 2.017 178.626 176.600 0.016 0.000 0.989 892 E CA 1.413 57.819 56.400 0.009 0.000 0.800 892 E CB -0.061 29.643 29.700 0.006 0.000 0.746 892 E HN 0.631 nan 8.360 nan 0.000 0.452 893 E N 0.765 120.976 120.200 0.018 0.000 2.110 893 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 893 E C 1.727 178.348 176.600 0.035 0.000 0.988 893 E CA 1.292 57.706 56.400 0.024 0.000 0.804 893 E CB 0.090 29.804 29.700 0.024 0.000 0.745 893 E HN 0.005 nan 8.360 nan 0.000 0.458 894 K N -0.185 120.237 120.400 0.036 0.000 2.057 894 K HA -0.066 4.253 4.320 -0.000 0.000 0.206 894 K C 1.958 178.590 176.600 0.055 0.000 1.050 894 K CA 1.124 57.443 56.287 0.053 0.000 0.935 894 K CB -0.310 32.215 32.500 0.042 0.000 0.715 894 K HN 0.300 nan 8.250 nan 0.000 0.439 895 M N 0.367 119.990 119.600 0.038 0.000 2.175 895 M HA -0.089 4.391 4.480 -0.000 0.000 0.264 895 M C 2.172 178.494 176.300 0.037 0.000 1.063 895 M CA 1.298 56.620 55.300 0.037 0.000 1.119 895 M CB -0.876 31.739 32.600 0.025 0.000 1.377 895 M HN 0.151 nan 8.290 nan 0.000 0.415 896 R N 0.653 121.172 120.500 0.032 0.000 2.075 896 R HA -0.096 4.244 4.340 -0.000 0.000 0.232 896 R C 2.089 178.408 176.300 0.033 0.000 1.126 896 R CA 1.204 57.321 56.100 0.028 0.000 0.963 896 R CB -0.272 30.042 30.300 0.023 0.000 0.858 896 R HN 0.329 nan 8.270 nan 0.000 0.435 897 L N 0.871 122.120 121.223 0.043 0.000 2.201 897 L HA -0.103 4.237 4.340 -0.000 0.000 0.212 897 L C 2.644 179.549 176.870 0.058 0.000 1.105 897 L CA 1.234 56.104 54.840 0.050 0.000 0.775 897 L CB -0.353 41.745 42.059 0.064 0.000 0.913 897 L HN 0.256 nan 8.230 nan 0.000 0.440 898 K N 0.544 120.983 120.400 0.066 0.000 2.283 898 K HA -0.162 4.158 4.320 -0.000 0.000 0.202 898 K C 1.707 178.335 176.600 0.048 0.000 1.048 898 K CA 1.084 57.416 56.287 0.074 0.000 0.948 898 K CB 0.165 32.713 32.500 0.079 0.000 0.742 898 K HN 0.362 nan 8.250 nan 0.000 0.458 899 E N 0.035 120.255 120.200 0.033 0.000 2.299 899 E HA -0.054 4.296 4.350 -0.000 0.000 0.193 899 E C 0.339 176.942 176.600 0.004 0.000 0.998 899 E CA 0.249 56.660 56.400 0.018 0.000 0.851 899 E CB 0.344 30.055 29.700 0.017 0.000 0.795 899 E HN 0.370 nan 8.360 nan 0.000 0.492 909 R N 3.018 123.522 120.500 0.007 0.000 2.267 909 R HA 0.276 4.616 4.340 -0.000 0.000 0.319 909 R C -0.775 175.506 176.300 -0.031 0.000 1.067 909 R CA 0.116 56.204 56.100 -0.020 0.000 0.936 909 R CB 0.559 30.853 30.300 -0.010 0.000 1.006 909 R HN 0.298 nan 8.270 nan 0.000 0.452 910 K N 5.721 126.088 120.400 -0.056 0.000 2.378 910 K HA 0.412 4.732 4.320 -0.000 0.000 0.252 910 K C -2.455 174.072 176.600 -0.122 0.000 0.931 910 K CA -1.974 54.288 56.287 -0.042 0.000 0.794 910 K CB 2.388 34.901 32.500 0.021 0.000 1.181 910 K HN 0.500 nan 8.250 nan 0.000 0.425 911 P HA 0.142 nan 4.420 nan 0.000 0.278 911 P C -0.722 176.591 177.300 0.023 0.000 1.238 911 P CA -0.136 62.885 63.100 -0.132 0.000 0.794 911 P CB 0.497 32.162 31.700 -0.059 0.000 0.955 912 F N 1.604 121.532 119.950 -0.037 0.000 2.429 912 F HA 0.317 4.844 4.527 -0.000 0.000 0.348 912 F C 1.127 176.904 175.800 -0.039 0.000 1.109 912 F CA -0.811 57.156 58.000 -0.055 0.000 1.232 912 F CB 0.718 39.661 39.000 -0.093 0.000 1.157 912 F HN 0.010 nan 8.300 nan 0.000 0.564 913 I N 4.090 124.744 120.570 0.138 0.000 2.404 913 I HA 0.269 4.439 4.170 -0.000 0.000 0.293 913 I C -2.375 173.713 176.117 -0.049 0.000 0.992 913 I CA -2.422 58.903 61.300 0.042 0.000 1.149 913 I CB 1.770 39.786 38.000 0.027 0.000 1.315 913 I HN 0.245 nan 8.210 nan 0.000 0.446 914 P HA 0.024 nan 4.420 nan 0.000 0.261 914 P C -0.418 176.811 177.300 -0.119 0.000 1.203 914 P CA 0.158 63.148 63.100 -0.185 0.000 0.767 914 P CB 0.248 31.820 31.700 -0.213 0.000 0.785 915 K N 3.190 123.514 120.400 -0.126 0.000 2.500 915 K HA 0.123 4.442 4.320 -0.000 0.000 0.206 915 K C 0.495 177.043 176.600 -0.086 0.000 1.034 915 K CA -0.021 56.209 56.287 -0.094 0.000 1.179 915 K CB 0.164 32.605 32.500 -0.099 0.000 0.884 915 K HN 0.396 nan 8.250 nan 0.000 0.493 916 K N 0.869 121.213 120.400 -0.093 0.000 2.639 916 K HA 0.201 4.520 4.320 -0.000 0.000 0.279 916 K C -3.156 173.397 176.600 -0.078 0.000 0.976 916 K CA -1.343 54.898 56.287 -0.076 0.000 0.861 916 K CB 1.622 34.076 32.500 -0.077 0.000 1.436 916 K HN -0.254 nan 8.250 nan 0.000 0.400 917 P HA 0.037 nan 4.420 nan 0.000 0.266 917 P C 0.012 177.282 177.300 -0.050 0.000 1.195 917 P CA -0.230 62.844 63.100 -0.044 0.000 0.768 917 P CB 0.247 31.930 31.700 -0.028 0.000 0.838 918 I N 5.042 125.586 120.570 -0.043 0.000 2.517 918 I HA 0.086 4.256 4.170 -0.000 0.000 0.285 918 I C -1.272 174.840 176.117 -0.008 0.000 1.106 918 I CA -1.945 59.334 61.300 -0.034 0.000 1.402 918 I CB -0.278 37.724 38.000 0.002 0.000 1.399 918 I HN 0.282 nan 8.210 nan 0.000 0.535 919 P HA 0.220 nan 4.420 nan 0.000 0.271 919 P C -0.618 176.692 177.300 0.017 0.000 1.218 919 P CA -0.363 62.743 63.100 0.010 0.000 0.780 919 P CB 1.164 32.876 31.700 0.020 0.000 0.901 920 A N 2.581 125.410 122.820 0.015 0.000 2.269 920 A HA 0.363 4.683 4.320 -0.000 0.000 0.319 920 A C 1.704 179.293 177.584 0.008 0.000 1.110 920 A CA -0.735 51.311 52.037 0.014 0.000 0.847 920 A CB 0.110 19.117 19.000 0.012 0.000 1.161 920 A HN 0.440 nan 8.150 nan 0.000 0.497 921 I N 0.718 121.286 120.570 -0.002 0.000 2.185 921 I HA -0.317 3.853 4.170 -0.000 0.000 0.246 921 I C 2.441 178.547 176.117 -0.019 0.000 1.088 921 I CA 2.416 63.701 61.300 -0.025 0.000 1.347 921 I CB -1.231 36.739 38.000 -0.051 0.000 1.041 921 I HN 0.953 nan 8.210 nan 0.000 0.415 922 K N 0.519 120.912 120.400 -0.012 0.000 2.281 922 K HA -0.181 4.139 4.320 -0.000 0.000 0.203 922 K C 1.129 177.732 176.600 0.004 0.000 1.046 922 K CA 1.642 57.924 56.287 -0.008 0.000 0.938 922 K CB -0.318 32.180 32.500 -0.004 0.000 0.737 922 K HN 0.310 nan 8.250 nan 0.000 0.458 923 D N 1.247 121.653 120.400 0.011 0.000 2.323 923 D HA -0.070 4.570 4.640 -0.000 0.000 0.209 923 D C 1.917 178.243 176.300 0.043 0.000 0.973 923 D CA 1.208 55.220 54.000 0.020 0.000 0.874 923 D CB 0.549 41.359 40.800 0.017 0.000 0.930 923 D HN 0.341 nan 8.370 nan 0.000 0.521 924 V N -1.579 118.371 119.914 0.059 0.000 3.565 924 V HA 0.218 4.338 4.120 -0.000 0.000 0.260 924 V C 1.009 177.202 176.094 0.164 0.000 1.231 924 V CA -0.248 62.137 62.300 0.142 0.000 1.100 924 V CB -0.216 31.686 31.823 0.133 0.000 0.807 924 V HN -0.104 nan 8.190 nan 0.000 0.454 925 I N 3.206 123.815 120.570 0.065 0.000 2.742 925 I HA 0.368 4.538 4.170 -0.000 0.000 0.287 925 I C 1.627 177.777 176.117 0.056 0.000 1.186 925 I CA 1.539 62.866 61.300 0.046 0.000 1.417 925 I CB 0.021 38.018 38.000 -0.005 0.000 1.377 925 I HN 0.531 nan 8.210 nan 0.000 0.556 926 G N 5.117 113.961 108.800 0.072 0.000 2.184 926 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.264 926 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.264 926 G C 1.146 176.060 174.900 0.023 0.000 0.975 926 G CA -0.135 44.991 45.100 0.043 0.000 0.642 926 G HN 0.598 nan 8.290 nan 0.000 0.536 927 K N 0.229 120.654 120.400 0.042 0.000 2.442 927 K HA 0.230 4.550 4.320 -0.000 0.000 0.198 927 K C 2.515 179.068 176.600 -0.078 0.000 1.042 927 K CA 1.283 57.546 56.287 -0.040 0.000 0.958 927 K CB -0.279 32.194 32.500 -0.044 0.000 0.766 927 K HN 0.749 nan 8.250 nan 0.000 0.474 928 A N 0.498 123.308 122.820 -0.018 0.000 2.095 928 A HA 0.070 4.390 4.320 -0.000 0.000 0.212 928 A C 2.041 179.666 177.584 0.069 0.000 1.162 928 A CA 0.123 52.214 52.037 0.091 0.000 0.753 928 A CB -0.218 18.829 19.000 0.079 0.000 0.840 928 A HN 0.152 nan 8.150 nan 0.000 0.468 929 L N 0.443 121.661 121.223 -0.009 0.000 2.189 929 L HA -0.309 4.031 4.340 -0.000 0.000 0.214 929 L C 2.857 179.669 176.870 -0.096 0.000 1.097 929 L CA 1.751 56.574 54.840 -0.030 0.000 0.764 929 L CB -0.765 41.278 42.059 -0.028 0.000 0.900 929 L HN 0.711 nan 8.230 nan 0.000 0.436 930 Q N -0.360 119.302 119.800 -0.230 0.000 2.226 930 Q HA -0.224 4.116 4.340 -0.000 0.000 0.204 930 Q C 1.643 177.419 176.000 -0.373 0.000 0.975 930 Q CA 1.787 57.378 55.803 -0.354 0.000 0.866 930 Q CB -0.512 27.907 28.738 -0.531 0.000 0.915 930 Q HN 0.549 nan 8.270 nan 0.000 0.440 931 Y N 0.616 120.884 120.300 -0.053 0.000 2.523 931 Y HA 0.249 4.799 4.550 -0.000 0.000 0.279 931 Y C 0.793 176.665 175.900 -0.046 0.000 1.139 931 Y CA -0.425 57.644 58.100 -0.053 0.000 1.296 931 Y CB 0.495 38.919 38.460 -0.060 0.000 1.045 931 Y HN 0.008 nan 8.280 nan 0.000 0.538 932 L N 0.139 121.405 121.223 0.071 0.000 2.350 932 L HA 0.572 4.911 4.340 -0.000 0.000 0.275 932 L C 0.646 177.523 176.870 0.011 0.000 1.099 932 L CA -0.009 54.854 54.840 0.039 0.000 0.808 932 L CB 1.129 43.205 42.059 0.027 0.000 1.149 932 L HN 0.237 nan 8.230 nan 0.000 0.442 933 G N 0.434 109.242 108.800 0.013 0.000 2.494 933 G HA2 0.385 4.345 3.960 -0.000 0.000 0.308 933 G HA3 0.385 4.345 3.960 -0.000 0.000 0.308 933 G C -0.847 174.066 174.900 0.021 0.000 1.263 933 G CA -0.018 45.085 45.100 0.006 0.000 0.840 933 G HN 0.534 nan 8.290 nan 0.000 0.479 934 T N -1.956 112.612 114.554 0.024 0.000 2.816 934 T HA 0.419 4.769 4.350 -0.000 0.000 0.282 934 T C 1.104 175.848 174.700 0.072 0.000 0.993 934 T CA 0.074 62.211 62.100 0.061 0.000 0.994 934 T CB 1.174 70.077 68.868 0.059 0.000 1.025 934 T HN 0.586 nan 8.240 nan 0.000 0.529 935 F N 1.205 121.156 119.950 0.001 0.000 2.186 935 F HA 0.153 4.680 4.527 -0.000 0.000 0.299 935 F C 2.381 178.182 175.800 0.002 0.000 1.090 935 F CA 1.836 59.837 58.000 0.001 0.000 1.307 935 F CB -0.844 38.157 39.000 0.002 0.000 1.019 935 F HN 0.750 nan 8.300 nan 0.000 0.489 936 G N -0.434 108.441 108.800 0.125 0.000 2.448 936 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.219 936 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.219 936 G C 1.378 176.249 174.900 -0.048 0.000 1.127 936 G CA 0.699 45.829 45.100 0.051 0.000 0.766 936 G HN 0.474 nan 8.290 nan 0.000 0.552 937 E N -0.366 119.797 120.200 -0.061 0.000 2.511 937 E HA 0.139 4.489 4.350 -0.000 0.000 0.196 937 E C 0.269 176.800 176.600 -0.114 0.000 1.066 937 E CA -0.294 56.066 56.400 -0.067 0.000 0.871 937 E CB 0.079 29.754 29.700 -0.041 0.000 0.863 937 E HN 0.374 nan 8.360 nan 0.000 0.520 938 L N 0.934 122.028 121.223 -0.215 0.000 2.350 938 L HA 0.185 4.525 4.340 -0.000 0.000 0.275 938 L C 0.471 177.207 176.870 -0.224 0.000 1.099 938 L CA -0.578 54.105 54.840 -0.261 0.000 0.808 938 L CB 1.420 43.201 42.059 -0.464 0.000 1.149 938 L HN -0.116 nan 8.230 nan 0.000 0.442 939 S N 1.465 117.073 115.700 -0.155 0.000 2.499 939 S HA 0.110 4.580 4.470 -0.000 0.000 0.275 939 S C 0.690 175.221 174.600 -0.114 0.000 1.257 939 S CA -0.736 57.399 58.200 -0.109 0.000 1.050 939 S CB 0.299 63.455 63.200 -0.074 0.000 0.937 939 S HN 0.745 nan 8.310 nan 0.000 0.490 940 N N 4.610 123.266 118.700 -0.073 0.000 2.230 940 N HA 0.094 4.834 4.740 -0.000 0.000 0.202 940 N C 0.945 176.450 175.510 -0.009 0.000 1.119 940 N CA 0.147 53.170 53.050 -0.043 0.000 0.851 940 N CB -0.360 38.138 38.487 0.019 0.000 0.990 940 N HN 0.732 nan 8.380 nan 0.000 0.497 941 I N -3.621 116.940 120.570 -0.015 0.000 3.708 941 I HA 0.294 4.464 4.170 -0.000 0.000 0.302 941 I C -0.069 176.036 176.117 -0.020 0.000 1.255 941 I CA -0.035 61.271 61.300 0.010 0.000 1.362 941 I CB -0.016 37.992 38.000 0.015 0.000 1.100 941 I HN -0.129 nan 8.210 nan 0.000 0.434 942 E N 3.837 124.007 120.200 -0.050 0.000 1.979 942 E HA 0.179 4.529 4.350 -0.000 0.000 0.285 942 E C -0.315 176.226 176.600 -0.098 0.000 1.188 942 E CA -0.283 56.081 56.400 -0.059 0.000 1.214 942 E CB 0.295 29.963 29.700 -0.055 0.000 1.210 942 E HN 0.398 nan 8.360 nan 0.000 0.477 943 Q N 0.668 120.392 119.800 -0.126 0.000 2.256 943 Q HA 0.390 4.730 4.340 -0.000 0.000 0.232 943 Q C 0.268 176.180 176.000 -0.148 0.000 0.965 943 Q CA -0.417 55.258 55.803 -0.213 0.000 0.908 943 Q CB 1.898 30.404 28.738 -0.388 0.000 1.209 943 Q HN 0.284 nan 8.270 nan 0.000 0.489 944 V N -2.366 117.452 119.914 -0.159 0.000 3.141 944 V HA 0.899 5.019 4.120 -0.000 0.000 0.312 944 V C -0.251 175.784 176.094 -0.099 0.000 1.157 944 V CA -0.991 61.248 62.300 -0.102 0.000 1.041 944 V CB 1.795 33.570 31.823 -0.080 0.000 1.071 944 V HN 0.596 nan 8.190 nan 0.000 0.441 945 V N -1.742 118.137 119.914 -0.058 0.000 3.078 945 V HA 1.030 5.150 4.120 -0.000 0.000 0.311 945 V C 0.156 176.237 176.094 -0.021 0.000 1.138 945 V CA -0.524 61.752 62.300 -0.040 0.000 1.007 945 V CB 1.318 33.129 31.823 -0.020 0.000 1.045 945 V HN 1.942 nan 8.190 nan 0.000 0.432 946 A N 1.372 124.187 122.820 -0.008 0.000 2.327 946 A HA 0.804 5.124 4.320 -0.000 0.000 0.283 946 A C -0.333 177.259 177.584 0.013 0.000 1.127 946 A CA -0.355 51.684 52.037 0.004 0.000 0.810 946 A CB 1.199 20.207 19.000 0.014 0.000 1.066 946 A HN 1.996 nan 8.150 nan 0.000 0.492 947 V N 4.543 124.465 119.914 0.013 0.000 2.577 947 V HA 0.587 4.707 4.120 -0.000 0.000 0.303 947 V C -0.844 175.262 176.094 0.020 0.000 1.042 947 V CA -0.634 61.676 62.300 0.017 0.000 0.872 947 V CB 1.358 33.188 31.823 0.012 0.000 0.998 947 V HN 0.737 nan 8.190 nan 0.000 0.423 948 I N 5.508 126.093 120.570 0.025 0.000 2.359 948 I HA 0.398 4.568 4.170 -0.000 0.000 0.294 948 I C -0.424 175.705 176.117 0.020 0.000 0.987 948 I CA -0.447 60.869 61.300 0.027 0.000 1.225 948 I CB 1.634 39.658 38.000 0.040 0.000 1.366 948 I HN 0.570 nan 8.210 nan 0.000 0.466 949 D N 6.389 126.799 120.400 0.017 0.000 2.393 949 D HA 0.062 4.702 4.640 -0.000 0.000 0.232 949 D C 0.954 177.256 176.300 0.003 0.000 1.192 949 D CA 0.037 54.042 54.000 0.009 0.000 0.882 949 D CB 0.787 41.593 40.800 0.009 0.000 1.038 949 D HN 0.502 nan 8.370 nan 0.000 0.499 950 E N 2.077 122.277 120.200 0.001 0.000 2.267 950 E HA -0.171 4.179 4.350 -0.000 0.000 0.197 950 E C 0.951 177.539 176.600 -0.020 0.000 0.998 950 E CA 0.737 57.133 56.400 -0.006 0.000 0.830 950 E CB 0.404 30.093 29.700 -0.019 0.000 0.751 950 E HN 0.530 nan 8.360 nan 0.000 0.491 951 E N -0.277 119.909 120.200 -0.024 0.000 2.358 951 E HA -0.048 4.302 4.350 -0.000 0.000 0.195 951 E C 1.677 178.240 176.600 -0.062 0.000 1.010 951 E CA 0.715 57.094 56.400 -0.035 0.000 0.856 951 E CB 0.100 29.786 29.700 -0.022 0.000 0.795 951 E HN 0.399 nan 8.360 nan 0.000 0.504 952 M N -0.474 119.086 119.600 -0.068 0.000 2.461 952 M HA 0.067 4.547 4.480 -0.000 0.000 0.255 952 M C 1.121 177.363 176.300 -0.097 0.000 1.137 952 M CA -0.191 55.026 55.300 -0.139 0.000 1.086 952 M CB 0.685 33.218 32.600 -0.110 0.000 1.356 952 M HN -0.075 nan 8.290 nan 0.000 0.487 953 C N 2.838 122.120 119.300 -0.029 0.000 2.657 953 C HA 0.109 4.569 4.460 -0.000 0.000 0.420 953 C C 1.612 176.625 174.990 0.039 0.000 1.323 953 C CA -0.311 58.718 59.018 0.018 0.000 1.894 953 C CB -0.436 27.335 27.740 0.051 0.000 2.681 953 C HN 0.637 nan 8.230 nan 0.000 0.613 954 I N 1.378 121.983 120.570 0.058 0.000 3.877 954 I HA 0.367 4.537 4.170 -0.000 0.000 0.332 954 I C 0.464 176.663 176.117 0.137 0.000 1.525 954 I CA -0.284 61.067 61.300 0.084 0.000 1.146 954 I CB -0.931 37.097 38.000 0.047 0.000 1.137 954 I HN 0.830 nan 8.210 nan 0.000 0.424 955 N N 0.245 119.056 118.700 0.185 0.000 2.714 955 N HA -0.255 4.485 4.740 -0.000 0.000 0.250 955 N C 1.195 176.848 175.510 0.239 0.000 1.117 955 N CA 1.147 54.369 53.050 0.286 0.000 0.719 955 N CB -2.278 36.434 38.487 0.375 0.000 1.081 955 N HN 0.876 nan 8.380 nan 0.000 0.557 956 C N -2.669 116.694 119.300 0.104 0.000 2.446 956 C HA 0.459 4.919 4.460 -0.000 0.000 0.279 956 C C 2.183 177.086 174.990 -0.145 0.000 1.366 956 C CA 0.473 59.489 59.018 -0.005 0.000 1.763 956 C CB -0.983 26.743 27.740 -0.024 0.000 1.929 956 C HN 1.039 nan 8.230 nan 0.000 0.509 957 G N 0.765 109.401 108.800 -0.274 0.000 2.143 957 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.248 957 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.248 957 G C 0.807 175.493 174.900 -0.357 0.000 0.991 957 G CA 0.675 45.304 45.100 -0.785 0.000 0.689 957 G HN 0.647 nan 8.290 nan 0.000 0.522 958 K N -0.373 119.917 120.400 -0.184 0.000 2.097 958 K HA -0.055 4.265 4.320 -0.000 0.000 0.205 958 K C 2.945 179.493 176.600 -0.087 0.000 1.050 958 K CA 1.711 57.928 56.287 -0.116 0.000 0.938 958 K CB -0.438 32.018 32.500 -0.073 0.000 0.718 958 K HN 0.827 nan 8.250 nan 0.000 0.442 959 C N -0.355 118.909 119.300 -0.061 0.000 2.429 959 C HA -0.132 4.328 4.460 -0.000 0.000 0.277 959 C C 2.503 177.496 174.990 0.005 0.000 1.262 959 C CA 0.238 59.248 59.018 -0.014 0.000 1.733 959 C CB -1.385 26.365 27.740 0.017 0.000 2.010 959 C HN 0.444 nan 8.230 nan 0.000 0.483 960 Y N 1.887 122.069 120.300 -0.198 0.000 2.114 960 Y HA -0.164 4.386 4.550 -0.000 0.000 0.284 960 Y C 2.708 178.511 175.900 -0.161 0.000 1.143 960 Y CA 2.195 60.175 58.100 -0.201 0.000 1.135 960 Y CB -0.367 37.835 38.460 -0.430 0.000 0.980 960 Y HN 0.192 nan 8.280 nan 0.000 0.499 961 M N -0.548 118.900 119.600 -0.254 0.000 2.159 961 M HA -0.207 4.273 4.480 -0.000 0.000 0.263 961 M C 1.921 178.101 176.300 -0.201 0.000 1.063 961 M CA 2.077 57.200 55.300 -0.295 0.000 1.110 961 M CB -0.416 32.066 32.600 -0.196 0.000 1.374 961 M HN 0.245 nan 8.290 nan 0.000 0.411 962 T N -0.483 113.994 114.554 -0.127 0.000 2.777 962 T HA -0.163 4.187 4.350 -0.000 0.000 0.266 962 T C 1.884 176.538 174.700 -0.076 0.000 1.040 962 T CA 1.280 63.329 62.100 -0.085 0.000 1.141 962 T CB -0.564 68.275 68.868 -0.048 0.000 0.868 962 T HN 0.525 nan 8.240 nan 0.000 0.444 963 C N 1.988 121.250 119.300 -0.063 0.000 2.446 963 C HA 0.004 4.464 4.460 -0.000 0.000 0.279 963 C C 2.530 177.469 174.990 -0.086 0.000 1.366 963 C CA 0.406 59.411 59.018 -0.021 0.000 1.763 963 C CB -1.473 26.291 27.740 0.040 0.000 1.929 963 C HN 0.436 nan 8.230 nan 0.000 0.509 964 N N 1.287 119.876 118.700 -0.185 0.000 2.135 964 N HA -0.043 4.697 4.740 -0.000 0.000 0.186 964 N C 0.962 176.369 175.510 -0.172 0.000 1.027 964 N CA 1.542 54.458 53.050 -0.223 0.000 0.849 964 N CB -0.452 37.796 38.487 -0.398 0.000 1.002 964 N HN 0.544 nan 8.380 nan 0.000 0.425 965 D N -1.131 119.171 120.400 -0.162 0.000 2.369 965 D HA 0.193 4.833 4.640 -0.000 0.000 0.211 965 D C 0.238 176.470 176.300 -0.115 0.000 1.077 965 D CA 0.328 54.250 54.000 -0.129 0.000 0.842 965 D CB 0.411 41.139 40.800 -0.118 0.000 0.947 965 D HN 0.004 nan 8.370 nan 0.000 0.509 966 S N -0.965 114.667 115.700 -0.113 0.000 2.893 966 S HA 0.427 4.897 4.470 -0.000 0.000 0.258 966 S C 0.731 175.266 174.600 -0.108 0.000 1.034 966 S CA -0.213 57.928 58.200 -0.098 0.000 1.167 966 S CB 1.864 65.026 63.200 -0.063 0.000 1.137 966 S HN 0.302 nan 8.310 nan 0.000 0.650 967 G N 0.472 109.186 108.800 -0.144 0.000 3.366 967 G HA2 0.474 4.434 3.960 -0.000 0.000 0.179 967 G HA3 0.474 4.434 3.960 -0.000 0.000 0.179 967 G C -0.877 173.761 174.900 -0.436 0.000 1.143 967 G CA -0.272 44.741 45.100 -0.145 0.000 0.810 967 G HN 0.256 nan 8.290 nan 0.000 0.697 968 Y N 0.496 120.795 120.300 -0.002 0.000 2.706 968 Y HA 0.342 4.892 4.550 -0.000 0.000 0.255 968 Y C 0.552 176.459 175.900 0.012 0.000 1.163 968 Y CA -0.634 57.473 58.100 0.011 0.000 1.174 968 Y CB 0.643 39.122 38.460 0.032 0.000 1.200 968 Y HN 0.302 nan 8.280 nan 0.000 0.544 969 Q N -0.157 119.684 119.800 0.069 0.000 2.434 969 Q HA -0.247 4.093 4.340 -0.000 0.000 0.299 969 Q C 1.020 177.088 176.000 0.113 0.000 1.286 969 Q CA 0.893 56.727 55.803 0.051 0.000 0.872 969 Q CB -1.699 27.054 28.738 0.025 0.000 1.193 969 Q HN 0.577 nan 8.270 nan 0.000 0.466 970 A N -0.835 122.069 122.820 0.140 0.000 2.308 970 A HA 0.392 4.712 4.320 -0.000 0.000 0.217 970 A C 0.504 178.172 177.584 0.140 0.000 1.216 970 A CA -0.008 52.110 52.037 0.136 0.000 0.864 970 A CB 0.538 19.616 19.000 0.131 0.000 0.902 970 A HN 0.408 nan 8.150 nan 0.000 0.499 971 I N 0.697 121.377 120.570 0.183 0.000 2.404 971 I HA 0.205 4.375 4.170 -0.000 0.000 0.293 971 I C -0.431 175.858 176.117 0.287 0.000 0.992 971 I CA -0.432 61.001 61.300 0.222 0.000 1.149 971 I CB 1.835 39.982 38.000 0.245 0.000 1.315 971 I HN 0.220 nan 8.210 nan 0.000 0.446 972 Q N 5.098 125.007 119.800 0.181 0.000 2.257 972 Q HA 0.384 4.724 4.340 -0.000 0.000 0.255 972 Q C -1.265 174.777 176.000 0.069 0.000 0.920 972 Q CA -0.474 55.407 55.803 0.130 0.000 0.927 972 Q CB 2.213 31.003 28.738 0.086 0.000 1.229 972 Q HN 0.410 nan 8.270 nan 0.000 0.433 973 F N 2.605 122.341 119.950 -0.357 0.000 2.382 973 F HA 0.197 4.724 4.527 -0.000 0.000 0.361 973 F C -0.388 175.286 175.800 -0.210 0.000 1.109 973 F CA -1.624 56.089 58.000 -0.477 0.000 1.031 973 F CB 0.899 39.145 39.000 -1.257 0.000 1.234 973 F HN 0.492 nan 8.300 nan 0.000 0.445 974 D N 8.011 128.222 120.400 -0.315 0.000 2.450 974 D HA 0.104 4.744 4.640 -0.000 0.000 0.247 974 D C -1.481 174.697 176.300 -0.203 0.000 1.162 974 D CA -1.013 52.865 54.000 -0.204 0.000 0.879 974 D CB 1.245 41.959 40.800 -0.144 0.000 1.163 974 D HN 0.292 nan 8.370 nan 0.000 0.472 975 P HA -0.105 nan 4.420 nan 0.000 0.226 975 P C 0.365 177.767 177.300 0.171 0.000 1.153 975 P CA 0.859 64.012 63.100 0.089 0.000 0.777 975 P CB 0.501 32.256 31.700 0.091 0.000 0.794 976 E N -0.479 119.788 120.200 0.112 0.000 2.206 976 E HA 0.000 4.350 4.350 -0.000 0.000 0.195 976 E C 1.928 178.705 176.600 0.296 0.000 0.935 976 E CA 1.586 58.101 56.400 0.193 0.000 0.875 976 E CB -0.729 29.059 29.700 0.148 0.000 0.841 976 E HN 0.348 nan 8.360 nan 0.000 0.477 977 T N -3.068 111.514 114.554 0.046 0.000 3.044 977 T HA 0.054 4.404 4.350 -0.000 0.000 0.250 977 T C 0.494 175.297 174.700 0.171 0.000 1.081 977 T CA 0.155 62.177 62.100 -0.130 0.000 1.040 977 T CB -0.304 68.313 68.868 -0.418 0.000 0.962 977 T HN 0.280 nan 8.240 nan 0.000 0.506 978 H N 0.493 119.492 119.070 -0.118 0.000 2.791 978 H HA -0.094 4.462 4.556 -0.000 0.000 0.302 978 H C -0.811 174.318 175.328 -0.332 0.000 1.198 978 H CA -0.139 55.586 56.048 -0.540 0.000 1.145 978 H CB -1.704 28.025 29.762 -0.055 0.000 1.385 978 H HN 0.425 nan 8.280 nan 0.000 0.409 979 L N 1.977 123.100 121.223 -0.167 0.000 2.307 979 L HA 0.441 4.781 4.340 -0.000 0.000 0.284 979 L C -1.978 174.928 176.870 0.060 0.000 1.023 979 L CA -1.742 53.099 54.840 0.001 0.000 0.810 979 L CB 1.547 43.576 42.059 -0.050 0.000 1.231 979 L HN -0.036 nan 8.230 nan 0.000 0.423 980 P HA 0.307 nan 4.420 nan 0.000 0.287 980 P C -1.119 176.249 177.300 0.112 0.000 1.270 980 P CA -0.460 62.775 63.100 0.225 0.000 0.844 980 P CB 1.936 33.779 31.700 0.238 0.000 1.068 981 T N 1.166 115.781 114.554 0.101 0.000 2.949 981 T HA 0.231 4.581 4.350 -0.000 0.000 0.300 981 T C -0.231 174.518 174.700 0.082 0.000 0.988 981 T CA -0.382 61.760 62.100 0.071 0.000 0.993 981 T CB 0.871 69.769 68.868 0.049 0.000 0.984 981 T HN 0.069 nan 8.240 nan 0.000 0.442 982 V N 4.955 124.910 119.914 0.070 0.000 2.470 982 V HA 0.317 4.437 4.120 -0.000 0.000 0.276 982 V C 1.313 177.443 176.094 0.060 0.000 1.040 982 V CA -0.288 62.054 62.300 0.069 0.000 1.008 982 V CB 0.566 32.420 31.823 0.053 0.000 0.990 982 V HN 1.075 nan 8.190 nan 0.000 0.477 983 T N 0.799 115.394 114.554 0.069 0.000 2.849 983 T HA 0.190 4.540 4.350 -0.000 0.000 0.276 983 T C 0.907 175.638 174.700 0.051 0.000 0.971 983 T CA -0.094 62.041 62.100 0.060 0.000 0.949 983 T CB 1.017 69.926 68.868 0.069 0.000 1.093 983 T HN 0.748 nan 8.240 nan 0.000 0.545 984 D N -0.382 120.045 120.400 0.046 0.000 2.336 984 D HA -0.070 4.570 4.640 -0.000 0.000 0.229 984 D C 1.369 177.697 176.300 0.046 0.000 1.061 984 D CA 0.614 54.639 54.000 0.042 0.000 0.875 984 D CB -0.558 40.263 40.800 0.036 0.000 0.904 984 D HN 0.682 nan 8.370 nan 0.000 0.525 985 T N -1.784 112.803 114.554 0.055 0.000 3.129 985 T HA 0.051 4.401 4.350 -0.000 0.000 0.251 985 T C 1.240 175.967 174.700 0.045 0.000 1.117 985 T CA -0.494 61.643 62.100 0.061 0.000 1.034 985 T CB -1.129 67.790 68.868 0.085 0.000 0.968 985 T HN 0.277 nan 8.240 nan 0.000 0.526 986 C N 3.981 123.301 119.300 0.033 0.000 2.642 986 C HA 0.365 4.825 4.460 -0.000 0.000 0.420 986 C C 2.112 177.058 174.990 -0.074 0.000 1.349 986 C CA 0.573 59.587 59.018 -0.007 0.000 1.821 986 C CB -0.094 27.651 27.740 0.008 0.000 2.637 986 C HN 0.704 nan 8.230 nan 0.000 0.605 987 T N 1.122 115.546 114.554 -0.218 0.000 3.054 987 T HA 0.321 4.671 4.350 -0.000 0.000 0.255 987 T C 1.272 175.816 174.700 -0.259 0.000 1.035 987 T CA 0.887 62.818 62.100 -0.283 0.000 0.941 987 T CB -0.027 68.448 68.868 -0.655 0.000 1.026 987 T HN 2.206 nan 8.240 nan 0.000 0.533 988 G N 1.265 109.965 108.800 -0.165 0.000 2.160 988 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.251 988 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.251 988 G C 1.276 176.121 174.900 -0.092 0.000 1.008 988 G CA 0.441 45.467 45.100 -0.123 0.000 0.724 988 G HN 1.214 nan 8.290 nan 0.000 0.514 989 C N -2.001 117.261 119.300 -0.064 0.000 2.411 989 C HA 0.233 4.693 4.460 -0.000 0.000 0.279 989 C C 2.283 177.282 174.990 0.014 0.000 1.288 989 C CA 1.601 60.624 59.018 0.008 0.000 1.764 989 C CB -1.135 26.678 27.740 0.121 0.000 1.974 989 C HN 1.680 nan 8.230 nan 0.000 0.498 990 T N -0.326 114.233 114.554 0.008 0.000 5.686 990 T HA -0.212 4.138 4.350 -0.000 0.000 0.270 990 T C 0.559 175.269 174.700 0.017 0.000 2.203 990 T CA 1.002 63.106 62.100 0.006 0.000 3.730 990 T CB -1.992 66.873 68.868 -0.005 0.000 0.770 990 T HN 0.699 nan 8.240 nan 0.000 1.144 991 L N 0.855 122.097 121.223 0.031 0.000 2.046 991 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 991 L C 3.099 179.978 176.870 0.014 0.000 1.077 991 L CA 2.309 57.163 54.840 0.023 0.000 0.747 991 L CB -0.493 41.584 42.059 0.030 0.000 0.896 991 L HN 0.869 nan 8.230 nan 0.000 0.432 992 C N -1.140 118.172 119.300 0.020 0.000 2.413 992 C HA -0.210 4.250 4.460 -0.000 0.000 0.276 992 C C 2.564 177.561 174.990 0.010 0.000 1.236 992 C CA 0.565 59.592 59.018 0.015 0.000 1.735 992 C CB -1.309 26.448 27.740 0.028 0.000 2.031 992 C HN 0.577 nan 8.230 nan 0.000 0.474 993 L N 1.601 122.831 121.223 0.012 0.000 2.131 993 L HA -0.087 4.253 4.340 -0.000 0.000 0.210 993 L C 2.618 179.492 176.870 0.007 0.000 1.092 993 L CA 1.935 56.780 54.840 0.010 0.000 0.759 993 L CB -0.388 41.675 42.059 0.007 0.000 0.903 993 L HN 0.414 nan 8.230 nan 0.000 0.435 994 S N -0.815 114.888 115.700 0.005 0.000 2.447 994 S HA -0.098 4.372 4.470 -0.000 0.000 0.233 994 S C 1.570 176.169 174.600 -0.001 0.000 1.006 994 S CA 1.252 59.454 58.200 0.003 0.000 0.957 994 S CB -0.033 63.169 63.200 0.003 0.000 0.773 994 S HN 0.580 nan 8.310 nan 0.000 0.507 995 V N -1.969 117.942 119.914 -0.004 0.000 3.643 995 V HA 0.357 4.477 4.120 -0.000 0.000 0.280 995 V C 0.837 176.925 176.094 -0.010 0.000 1.351 995 V CA -0.759 61.534 62.300 -0.011 0.000 1.073 995 V CB -0.957 30.854 31.823 -0.020 0.000 0.863 995 V HN 0.430 nan 8.190 nan 0.000 0.436 996 C N 4.628 123.927 119.300 -0.002 0.000 2.634 996 C HA 0.351 4.811 4.460 -0.000 0.000 0.418 996 C C 0.494 175.487 174.990 0.005 0.000 1.373 996 C CA -0.243 58.776 59.018 0.002 0.000 1.756 996 C CB 0.736 28.483 27.740 0.011 0.000 2.589 996 C HN 0.597 nan 8.230 nan 0.000 0.602 997 P HA 0.038 nan 4.420 nan 0.000 0.229 997 P C 0.162 177.475 177.300 0.021 0.000 1.160 997 P CA 0.981 64.086 63.100 0.008 0.000 0.777 997 P CB -0.007 31.695 31.700 0.003 0.000 0.814 998 I N 1.763 122.349 120.570 0.027 0.000 2.304 998 I HA 0.211 4.381 4.170 -0.000 0.000 0.291 998 I C 1.002 177.153 176.117 0.056 0.000 1.018 998 I CA -1.896 59.432 61.300 0.047 0.000 1.260 998 I CB 0.559 38.573 38.000 0.023 0.000 1.390 998 I HN -0.161 nan 8.210 nan 0.000 0.475 999 I N 6.613 127.225 120.570 0.071 0.000 2.741 999 I HA -0.074 4.096 4.170 -0.000 0.000 0.288 999 I C 0.712 176.871 176.117 0.069 0.000 1.192 999 I CA 0.586 61.921 61.300 0.058 0.000 1.426 999 I CB 0.010 38.038 38.000 0.047 0.000 1.367 999 I HN 0.602 nan 8.210 nan 0.000 0.563 1000 D N 2.771 123.199 120.400 0.046 0.000 3.079 1000 D HA -0.228 4.412 4.640 -0.000 0.000 0.214 1000 D C 1.198 177.523 176.300 0.042 0.000 1.145 1000 D CA 1.050 55.075 54.000 0.042 0.000 0.958 1000 D CB -1.322 39.504 40.800 0.043 0.000 1.117 1000 D HN 0.837 nan 8.370 nan 0.000 0.416 1001 C N 0.332 119.656 119.300 0.040 0.000 2.446 1001 C HA 0.062 4.522 4.460 -0.000 0.000 0.277 1001 C C 1.227 176.231 174.990 0.023 0.000 1.275 1001 C CA 0.286 59.320 59.018 0.026 0.000 1.727 1001 C CB -0.481 27.269 27.740 0.017 0.000 2.010 1001 C HN 0.333 nan 8.230 nan 0.000 0.486 1002 I N 1.228 121.812 120.570 0.023 0.000 2.412 1002 I HA 0.462 4.632 4.170 -0.000 0.000 0.296 1002 I C -0.107 176.019 176.117 0.016 0.000 0.987 1002 I CA -0.231 61.081 61.300 0.020 0.000 1.180 1002 I CB 1.126 39.138 38.000 0.020 0.000 1.340 1002 I HN 0.225 nan 8.210 nan 0.000 0.455 1003 R N 5.482 125.990 120.500 0.012 0.000 2.795 1003 R HA 0.628 4.968 4.340 -0.000 0.000 0.275 1003 R C -1.239 175.061 176.300 -0.000 0.000 0.981 1003 R CA -1.095 55.008 56.100 0.006 0.000 0.917 1003 R CB 2.228 32.533 30.300 0.008 0.000 1.202 1003 R HN 0.387 nan 8.270 nan 0.000 0.469 1004 M N 2.827 122.422 119.600 -0.008 0.000 2.157 1004 M HA 0.301 4.781 4.480 -0.000 0.000 0.354 1004 M C -0.240 176.048 176.300 -0.019 0.000 1.170 1004 M CA -0.755 54.535 55.300 -0.017 0.000 1.060 1004 M CB 0.979 33.563 32.600 -0.027 0.000 1.615 1004 M HN 0.476 nan 8.290 nan 0.000 0.460 1005 V N 0.333 120.235 119.914 -0.020 0.000 2.960 1005 V HA 0.691 4.811 4.120 -0.000 0.000 0.315 1005 V C 0.252 176.331 176.094 -0.026 0.000 1.087 1005 V CA -0.923 61.366 62.300 -0.018 0.000 0.982 1005 V CB 1.706 33.523 31.823 -0.009 0.000 1.039 1005 V HN 0.784 nan 8.190 nan 0.000 0.437 1006 S N 2.095 117.781 115.700 -0.024 0.000 2.552 1006 S HA 0.181 4.651 4.470 -0.000 0.000 0.289 1006 S C 0.339 174.926 174.600 -0.021 0.000 1.304 1006 S CA -0.065 58.118 58.200 -0.028 0.000 1.063 1006 S CB -0.100 63.087 63.200 -0.021 0.000 0.848 1006 S HN 0.848 nan 8.310 nan 0.000 0.499 1007 R N 1.467 121.951 120.500 -0.027 0.000 2.442 1007 R HA 0.091 4.431 4.340 -0.000 0.000 0.291 1007 R C 1.302 177.603 176.300 0.003 0.000 1.069 1007 R CA 0.342 56.435 56.100 -0.011 0.000 1.022 1007 R CB 0.316 30.607 30.300 -0.015 0.000 0.976 1007 R HN 0.849 nan 8.270 nan 0.000 0.443 1008 T N -1.219 113.341 114.554 0.010 0.000 3.037 1008 T HA 0.011 4.360 4.350 -0.000 0.000 0.251 1008 T C 0.801 175.513 174.700 0.020 0.000 1.079 1008 T CA 0.297 62.405 62.100 0.012 0.000 1.067 1008 T CB 0.054 68.928 68.868 0.010 0.000 0.948 1008 T HN 0.648 nan 8.240 nan 0.000 0.496 1009 T N 0.978 115.549 114.554 0.028 0.000 2.928 1009 T HA 0.585 4.935 4.350 -0.000 0.000 0.284 1009 T C -3.100 171.631 174.700 0.052 0.000 1.008 1009 T CA -2.103 60.018 62.100 0.034 0.000 1.057 1009 T CB 0.949 69.838 68.868 0.035 0.000 1.018 1009 T HN -0.104 nan 8.240 nan 0.000 0.493 1010 P HA 0.156 nan 4.420 nan 0.000 0.271 1010 P C -1.212 176.138 177.300 0.082 0.000 1.226 1010 P CA -0.334 62.798 63.100 0.054 0.000 0.765 1010 P CB -0.034 31.680 31.700 0.022 0.000 0.835 1011 Y N 3.081 123.372 120.300 -0.015 0.000 2.319 1011 Y HA 0.287 4.837 4.550 -0.000 0.000 0.328 1011 Y C 0.114 176.005 175.900 -0.015 0.000 1.133 1011 Y CA -0.124 57.963 58.100 -0.021 0.000 1.265 1011 Y CB 0.828 39.272 38.460 -0.028 0.000 1.218 1011 Y HN 0.379 nan 8.280 nan 0.000 0.508 1012 E N 7.495 127.201 120.200 -0.825 0.000 2.265 1012 E HA 0.302 4.652 4.350 -0.000 0.000 0.262 1012 E C -2.635 173.484 176.600 -0.801 0.000 0.889 1012 E CA -2.227 53.775 56.400 -0.663 0.000 0.789 1012 E CB 1.477 31.008 29.700 -0.282 0.000 1.221 1012 E HN 0.537 nan 8.360 nan 0.000 0.414 1013 P HA 0.023 nan 4.420 nan 0.000 0.268 1013 P C -0.944 176.267 177.300 -0.148 0.000 1.205 1013 P CA -0.038 62.864 63.100 -0.330 0.000 0.771 1013 P CB 0.527 32.156 31.700 -0.118 0.000 0.858 1014 K N 3.354 123.730 120.400 -0.040 0.000 2.284 1014 K HA 0.160 4.480 4.320 -0.000 0.000 0.287 1014 K C 1.047 177.664 176.600 0.028 0.000 1.081 1014 K CA -0.405 55.889 56.287 0.010 0.000 0.910 1014 K CB 0.764 33.312 32.500 0.080 0.000 1.088 1014 K HN 0.234 nan 8.250 nan 0.000 0.478 1015 R N 1.657 122.161 120.500 0.007 0.000 2.280 1015 R HA 0.059 4.399 4.340 -0.000 0.000 0.195 1015 R C 1.379 177.687 176.300 0.014 0.000 0.935 1015 R CA 0.706 56.812 56.100 0.011 0.000 1.033 1015 R CB 0.069 30.368 30.300 -0.001 0.000 0.964 1015 R HN 1.060 nan 8.270 nan 0.000 0.489 1016 G N 1.007 109.816 108.800 0.016 0.000 2.990 1016 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.225 1016 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.225 1016 G C 0.121 175.025 174.900 0.006 0.000 1.304 1016 G CA 0.197 45.304 45.100 0.013 0.000 0.816 1016 G HN 0.263 nan 8.290 nan 0.000 0.528 1017 L N 1.293 122.518 121.223 0.004 0.000 2.431 1017 L HA 0.489 4.829 4.340 -0.000 0.000 0.266 1017 L C -2.231 174.639 176.870 -0.001 0.000 0.978 1017 L CA -2.011 52.829 54.840 0.001 0.000 0.822 1017 L CB 2.394 44.454 42.059 0.001 0.000 1.310 1017 L HN 0.039 nan 8.230 nan 0.000 0.409 1018 P HA 0.123 nan 4.420 nan 0.000 0.269 1018 P C -0.811 176.487 177.300 -0.003 0.000 1.211 1018 P CA -0.058 63.039 63.100 -0.004 0.000 0.781 1018 P CB 0.537 32.235 31.700 -0.005 0.000 0.877 1019 L N 0.648 121.869 121.223 -0.004 0.000 2.399 1019 L HA 0.609 4.949 4.340 -0.000 0.000 0.265 1019 L C 0.709 177.578 176.870 -0.002 0.000 1.089 1019 L CA -0.706 54.133 54.840 -0.002 0.000 0.802 1019 L CB 1.068 43.126 42.059 -0.002 0.000 1.180 1019 L HN 0.420 nan 8.230 nan 0.000 0.454 1020 A N 0.000 122.819 122.820 -0.001 0.000 2.254 1020 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 1020 A CA 0.000 52.036 52.037 -0.001 0.000 0.836 1020 A CB 0.000 19.000 19.000 -0.001 0.000 0.831 1020 A HN 0.000 nan 8.150 nan 0.000 0.486