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 1h7w_1_D DATA FIRST_RESID 2 DATA SEQUENCE APVLSKDVAD IESILALNPR TQSHAALHST LAKKLDKKHW KRNPDKNCFH DATA SEQUENCE CEKLENNFDD IKHTTLGERG ALREAMRCLK CADAPCQKSC PTHLDIKSFI DATA SEQUENCE TSISNKNYYG AAKMIFSDNP LGLTCGMVCP TSDLCVGGCN LYATEEGSIN DATA SEQUENCE IGGLQQFASE VFKAMNIPQI RNPCLPSQEK MPEAYSAKIA LLGAGPASIS DATA SEQUENCE CASFLARLGY SDITIFEKQE YVGGLSTSEI PQFRLPYDVV NFEIELMKDL DATA SEQUENCE GVKIICGKSL SENEITLNTL KEEGYKAAFI GIGLPEPKTD DIFQGLTQDQ DATA SEQUENCE GFYTSKDFLP LVAKSSKAGM CACHSPLPSI RGAVIVLGAG DTAFDCATSA DATA SEQUENCE LRCGARRVFL VFRKGFVNIR AVPEEVELAK EEKCEFLPFL SPRKVIVKGG DATA SEQUENCE RIVAVQFVRT EQDETGKWNE DEDQIVHLKA DVVISAFGSV LRDPKVKEAL DATA SEQUENCE SPIKFNRWDL PEVDPETMQT SEPWVFAGGD IVGMANTTVE SVNDGKQASW DATA SEQUENCE YIHKYIQAQY GASVSAKPEL PLFYTPVDLV DISVEMAGLK FINPFGLASA DATA SEQUENCE APTTSSSMIR RAFEAGWGFA LTKTFSLDKD IVTNVSPRIV RGTTSGPMYG DATA SEQUENCE PGQSSFLNIE LISEKTAAYW CQSVTELKAD FPDNIVIASI MCSYNKNDWM DATA SEQUENCE ELSRKAEASG ADALELNLSC PHGMGERGMG LACGQDPELV RNICRWVRQA DATA SEQUENCE VQIPFFAKLT PNVTDIVSIA RAAKEGGADG VTATNTVSGL MGLKADGTPW DATA SEQUENCE PAVGAGKRTT YGGVSGTAIR PIALRAVTTI ARALPGFPIL ATGGIDSAES DATA SEQUENCE GLQFLHSGAS VLQVCSAVQN QDFTVIQDYC TGLKALLYLK SIEELQGWDG DATA SEQUENCE QSPGTESHQK GKPVPRIAEL MGKKLPNFGP YLEQRKKIIA EEKMRLKEQN DATA SEQUENCE AAFPPLERKP FIPKKPIPAI KDVIGKALQY LGTFGELSNI EQVVAVIDEE DATA SEQUENCE MCINCGKCYM TCNDSGYQAI QFDPETHLPT VTDTCTGCTL CLSVCPIIDC DATA SEQUENCE IRMVSRTTPY EPKRGLPL VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.584 177.584 -0.000 0.000 1.274 2 A CA 0.000 52.037 52.037 -0.000 0.000 0.836 2 A CB 0.000 19.000 19.000 -0.001 0.000 0.831 3 P HA 0.244 nan 4.420 nan 0.000 0.272 3 P C -0.423 176.877 177.300 -0.000 0.000 1.210 3 P CA -0.368 62.732 63.100 0.001 0.000 0.789 3 P CB 0.204 31.905 31.700 0.002 0.000 0.849 4 V N 2.847 122.761 119.914 -0.000 0.000 2.370 4 V HA 0.001 4.122 4.120 0.001 0.000 0.257 4 V C 1.706 177.799 176.094 -0.003 0.000 1.064 4 V CA 0.093 62.392 62.300 -0.002 0.000 0.975 4 V CB -0.067 31.755 31.823 -0.002 0.000 1.067 4 V HN 0.519 nan 8.190 nan 0.000 0.485 5 L N 3.679 124.900 121.223 -0.004 0.000 2.079 5 L HA -0.128 4.213 4.340 0.001 0.000 0.210 5 L C 2.267 179.132 176.870 -0.008 0.000 1.081 5 L CA 1.749 56.586 54.840 -0.005 0.000 0.752 5 L CB -0.389 41.667 42.059 -0.005 0.000 0.896 5 L HN 0.836 nan 8.230 nan 0.000 0.433 6 S N -1.577 114.117 115.700 -0.010 0.000 2.754 6 S HA 0.094 4.564 4.470 0.001 0.000 0.223 6 S C 0.423 175.015 174.600 -0.013 0.000 0.951 6 S CA -0.157 58.035 58.200 -0.014 0.000 0.954 6 S CB -0.206 62.986 63.200 -0.015 0.000 0.780 6 S HN 0.253 nan 8.310 nan 0.000 0.509 7 K N 1.219 121.613 120.400 -0.009 0.000 2.371 7 K HA 0.307 4.628 4.320 0.001 0.000 0.251 7 K C -1.440 175.158 176.600 -0.004 0.000 0.934 7 K CA -0.703 55.580 56.287 -0.007 0.000 0.798 7 K CB 1.168 33.666 32.500 -0.003 0.000 1.204 7 K HN 0.126 nan 8.250 nan 0.000 0.427 8 D N 2.722 123.120 120.400 -0.004 0.000 2.390 8 D HA 0.041 4.682 4.640 0.001 0.000 0.249 8 D C 0.474 176.779 176.300 0.008 0.000 1.144 8 D CA -0.058 53.943 54.000 0.001 0.000 0.880 8 D CB 1.153 41.954 40.800 0.001 0.000 1.182 8 D HN 0.282 nan 8.370 nan 0.000 0.451 9 V N 0.034 119.955 119.914 0.012 0.000 3.319 9 V HA 0.329 4.450 4.120 0.001 0.000 0.303 9 V C 1.608 177.714 176.094 0.020 0.000 1.094 9 V CA -0.098 62.211 62.300 0.015 0.000 1.106 9 V CB 0.590 32.422 31.823 0.015 0.000 1.099 9 V HN 0.608 nan 8.190 nan 0.000 0.476 10 A N 1.586 124.418 122.820 0.020 0.000 1.903 10 A HA -0.264 4.057 4.320 0.001 0.000 0.219 10 A C 1.746 179.349 177.584 0.032 0.000 1.191 10 A CA 2.460 54.512 52.037 0.025 0.000 0.638 10 A CB -1.197 17.817 19.000 0.022 0.000 0.823 10 A HN 1.197 nan 8.150 nan 0.000 0.451 11 D N -0.098 120.322 120.400 0.033 0.000 2.219 11 D HA -0.135 4.506 4.640 0.001 0.000 0.205 11 D C 1.541 177.871 176.300 0.050 0.000 0.970 11 D CA 1.114 55.139 54.000 0.041 0.000 0.851 11 D CB -0.477 40.345 40.800 0.038 0.000 0.943 11 D HN 0.393 nan 8.370 nan 0.000 0.488 12 I N 0.953 121.549 120.570 0.043 0.000 2.406 12 I HA -0.079 4.092 4.170 0.001 0.000 0.249 12 I C 2.183 178.329 176.117 0.048 0.000 1.122 12 I CA 0.613 61.940 61.300 0.046 0.000 1.431 12 I CB -0.954 37.064 38.000 0.030 0.000 1.087 12 I HN 0.094 nan 8.210 nan 0.000 0.424 13 E N 0.662 120.886 120.200 0.040 0.000 2.110 13 E HA -0.166 4.185 4.350 0.001 0.000 0.193 13 E C 2.347 178.985 176.600 0.063 0.000 0.988 13 E CA 1.458 57.883 56.400 0.042 0.000 0.804 13 E CB -0.016 29.704 29.700 0.034 0.000 0.745 13 E HN 0.309 nan 8.360 nan 0.000 0.458 14 S N 0.857 116.596 115.700 0.066 0.000 2.356 14 S HA -0.126 4.345 4.470 0.001 0.000 0.223 14 S C 1.994 176.663 174.600 0.115 0.000 1.032 14 S CA 0.643 58.891 58.200 0.080 0.000 1.005 14 S CB -0.152 63.088 63.200 0.067 0.000 0.867 14 S HN 0.231 nan 8.310 nan 0.000 0.449 15 I N 1.103 121.746 120.570 0.122 0.000 2.361 15 I HA -0.131 4.039 4.170 0.001 0.000 0.251 15 I C 1.136 177.416 176.117 0.271 0.000 1.133 15 I CA 1.130 62.541 61.300 0.184 0.000 1.413 15 I CB 0.014 38.109 38.000 0.158 0.000 1.073 15 I HN 0.247 nan 8.210 nan 0.000 0.424 16 L N 0.126 121.449 121.223 0.166 0.000 2.612 16 L HA 0.079 4.420 4.340 0.001 0.000 0.230 16 L C 2.449 179.424 176.870 0.174 0.000 1.140 16 L CA 0.168 55.083 54.840 0.125 0.000 0.896 16 L CB -0.517 41.554 42.059 0.020 0.000 1.065 16 L HN 0.181 nan 8.230 nan 0.000 0.447 17 A N 0.501 123.442 122.820 0.201 0.000 1.927 17 A HA -0.205 4.116 4.320 0.001 0.000 0.220 17 A C 1.838 179.543 177.584 0.201 0.000 1.185 17 A CA 1.760 53.899 52.037 0.169 0.000 0.639 17 A CB -0.353 18.735 19.000 0.146 0.000 0.820 17 A HN 0.359 nan 8.150 nan 0.000 0.451 18 L N -0.225 121.190 121.223 0.320 0.000 2.653 18 L HA 0.224 4.565 4.340 0.001 0.000 0.231 18 L C 0.518 177.610 176.870 0.371 0.000 1.153 18 L CA -0.121 54.918 54.840 0.332 0.000 0.933 18 L CB -0.990 41.280 42.059 0.352 0.000 1.175 18 L HN 0.333 nan 8.230 nan 0.000 0.473 19 N N 1.487 120.335 118.700 0.248 0.000 2.513 19 N HA 0.105 4.846 4.740 0.001 0.000 0.268 19 N C -2.317 173.197 175.510 0.007 0.000 1.180 19 N CA -1.309 51.741 53.050 -0.000 0.000 0.948 19 N CB 0.617 39.006 38.487 -0.164 0.000 1.083 19 N HN -0.057 nan 8.380 nan 0.000 0.455 20 P HA 0.082 nan 4.420 nan 0.000 0.265 20 P C -1.041 176.245 177.300 -0.025 0.000 1.193 20 P CA 0.463 63.549 63.100 -0.022 0.000 0.765 20 P CB 0.502 32.175 31.700 -0.045 0.000 0.823 21 R N 1.184 121.680 120.500 -0.007 0.000 2.522 21 R HA 0.314 4.655 4.340 0.001 0.000 0.283 21 R C -0.396 175.905 176.300 0.000 0.000 1.074 21 R CA -0.615 55.482 56.100 -0.005 0.000 0.925 21 R CB 1.700 32.004 30.300 0.006 0.000 1.205 21 R HN 0.340 nan 8.270 nan 0.000 0.436 22 T N 3.549 118.099 114.554 -0.007 0.000 2.888 22 T HA 0.037 4.388 4.350 0.001 0.000 0.301 22 T C 0.221 174.923 174.700 0.004 0.000 1.001 22 T CA -0.241 61.855 62.100 -0.006 0.000 1.147 22 T CB 0.578 69.436 68.868 -0.017 0.000 0.931 22 T HN 0.175 nan 8.240 nan 0.000 0.541 23 Q N 1.826 121.633 119.800 0.012 0.000 2.259 23 Q HA 0.262 4.603 4.340 0.001 0.000 0.246 23 Q C 1.126 177.124 176.000 -0.003 0.000 0.920 23 Q CA -0.267 55.555 55.803 0.031 0.000 0.895 23 Q CB 1.366 30.136 28.738 0.053 0.000 1.220 23 Q HN 0.846 nan 8.270 nan 0.000 0.439 24 S N 0.583 116.278 115.700 -0.007 0.000 2.548 24 S HA 0.099 4.570 4.470 0.001 0.000 0.215 24 S C -0.000 174.319 174.600 -0.468 0.000 0.976 24 S CA 0.144 58.224 58.200 -0.200 0.000 0.908 24 S CB 0.054 63.122 63.200 -0.219 0.000 0.781 24 S HN 0.626 nan 8.310 nan 0.000 0.519 25 H N 0.098 119.167 119.070 -0.001 0.000 2.977 25 H HA 0.753 5.310 4.556 0.001 0.000 0.350 25 H C -0.235 175.093 175.328 -0.000 0.000 1.238 25 H CA -0.472 55.575 56.048 -0.003 0.000 1.124 25 H CB 1.058 30.816 29.762 -0.007 0.000 1.866 25 H HN 0.249 nan 8.280 nan 0.000 0.550 26 A N 0.781 123.681 122.820 0.134 0.000 2.386 26 A HA 0.631 4.952 4.320 0.001 0.000 0.248 26 A C 0.203 177.825 177.584 0.063 0.000 1.082 26 A CA 0.121 52.202 52.037 0.074 0.000 0.789 26 A CB -0.181 18.851 19.000 0.052 0.000 1.025 26 A HN 0.793 nan 8.150 nan 0.000 0.490 27 A N 0.430 123.283 122.820 0.055 0.000 2.302 27 A HA 0.592 4.913 4.320 0.001 0.000 0.285 27 A C -0.544 177.012 177.584 -0.048 0.000 1.105 27 A CA -0.313 51.738 52.037 0.024 0.000 0.816 27 A CB 0.370 19.460 19.000 0.150 0.000 1.067 27 A HN 1.247 nan 8.150 nan 0.000 0.489 28 L N 2.899 123.976 121.223 -0.244 0.000 2.342 28 L HA 0.518 4.858 4.340 0.001 0.000 0.276 28 L C -1.151 175.425 176.870 -0.492 0.000 0.997 28 L CA 0.157 54.855 54.840 -0.237 0.000 0.838 28 L CB 0.791 42.749 42.059 -0.169 0.000 1.224 28 L HN 0.739 nan 8.230 nan 0.000 0.416 29 H N 2.522 121.602 119.070 0.017 0.000 3.017 29 H HA 0.331 4.888 4.556 0.001 0.000 0.340 29 H C -0.433 174.907 175.328 0.020 0.000 1.014 29 H CA -0.587 55.473 56.048 0.021 0.000 1.341 29 H CB 1.920 31.698 29.762 0.026 0.000 1.739 29 H HN 0.627 nan 8.280 nan 0.000 0.506 30 S N 1.805 117.572 115.700 0.111 0.000 2.576 30 S HA -0.003 4.467 4.470 0.001 0.000 0.272 30 S C 1.177 175.822 174.600 0.076 0.000 1.352 30 S CA 0.059 58.301 58.200 0.071 0.000 1.021 30 S CB 1.093 64.322 63.200 0.048 0.000 0.887 30 S HN 0.581 nan 8.310 nan 0.000 0.542 31 T N 1.729 116.316 114.554 0.054 0.000 2.788 31 T HA -0.102 4.249 4.350 0.001 0.000 0.268 31 T C 1.629 176.355 174.700 0.044 0.000 1.044 31 T CA 1.430 63.558 62.100 0.047 0.000 1.139 31 T CB -0.524 68.365 68.868 0.035 0.000 0.867 31 T HN 0.545 nan 8.240 nan 0.000 0.454 32 L N 1.493 122.740 121.223 0.040 0.000 2.017 32 L HA 0.084 4.425 4.340 0.001 0.000 0.208 32 L C 2.601 179.496 176.870 0.041 0.000 1.073 32 L CA 1.928 56.789 54.840 0.035 0.000 0.745 32 L CB -1.076 41.000 42.059 0.029 0.000 0.894 32 L HN 0.211 nan 8.230 nan 0.000 0.432 33 A N -0.787 122.065 122.820 0.053 0.000 1.902 33 A HA -0.189 4.132 4.320 0.001 0.000 0.217 33 A C 2.293 179.913 177.584 0.060 0.000 1.181 33 A CA 1.660 53.734 52.037 0.062 0.000 0.623 33 A CB -0.505 18.551 19.000 0.093 0.000 0.818 33 A HN 0.387 nan 8.150 nan 0.000 0.443 34 K N 0.150 120.587 120.400 0.062 0.000 2.057 34 K HA -0.088 4.233 4.320 0.001 0.000 0.206 34 K C 1.917 178.548 176.600 0.052 0.000 1.050 34 K CA 1.500 57.817 56.287 0.050 0.000 0.935 34 K CB -0.356 32.172 32.500 0.047 0.000 0.715 34 K HN 0.539 nan 8.250 nan 0.000 0.439 35 K N 0.672 121.098 120.400 0.044 0.000 2.103 35 K HA -0.157 4.164 4.320 0.001 0.000 0.207 35 K C 2.213 178.836 176.600 0.038 0.000 1.048 35 K CA 0.965 57.275 56.287 0.038 0.000 0.930 35 K CB -0.207 32.311 32.500 0.031 0.000 0.716 35 K HN -0.023 nan 8.250 nan 0.000 0.444 36 L N 1.408 122.652 121.223 0.035 0.000 2.005 36 L HA -0.186 4.155 4.340 0.001 0.000 0.207 36 L C 1.935 178.824 176.870 0.032 0.000 1.072 36 L CA 1.845 56.700 54.840 0.024 0.000 0.744 36 L CB -0.363 41.707 42.059 0.018 0.000 0.895 36 L HN 0.083 nan 8.230 nan 0.000 0.433 37 D N -0.730 119.705 120.400 0.059 0.000 2.178 37 D HA -0.247 4.394 4.640 0.001 0.000 0.201 37 D C 2.213 178.619 176.300 0.176 0.000 0.980 37 D CA 1.036 55.101 54.000 0.109 0.000 0.842 37 D CB 0.019 40.912 40.800 0.154 0.000 0.948 37 D HN 0.208 nan 8.370 nan 0.000 0.472 38 K N 0.351 120.841 120.400 0.149 0.000 2.074 38 K HA -0.226 4.095 4.320 0.001 0.000 0.209 38 K C 1.835 178.510 176.600 0.125 0.000 1.048 38 K CA 1.430 57.817 56.287 0.166 0.000 0.926 38 K CB 0.064 32.620 32.500 0.094 0.000 0.713 38 K HN 0.090 nan 8.250 nan 0.000 0.444 39 K N -0.942 119.490 120.400 0.053 0.000 2.147 39 K HA -0.213 4.108 4.320 0.001 0.000 0.205 39 K C 2.076 178.643 176.600 -0.055 0.000 1.049 39 K CA 1.618 57.907 56.287 0.003 0.000 0.936 39 K CB -0.303 32.187 32.500 -0.017 0.000 0.722 39 K HN 0.319 nan 8.250 nan 0.000 0.446 40 H N -0.630 118.288 119.070 -0.253 0.000 2.423 40 H HA -0.125 4.432 4.556 0.001 0.000 0.297 40 H C 0.815 175.842 175.328 -0.503 0.000 1.075 40 H CA 1.634 57.368 56.048 -0.524 0.000 1.342 40 H CB 0.089 29.324 29.762 -0.879 0.000 1.395 40 H HN 0.287 nan 8.280 nan 0.000 0.530 41 W N 0.267 121.592 121.300 0.042 0.000 3.220 41 W HA 0.222 4.882 4.660 0.001 0.000 0.328 41 W C 0.421 176.903 176.519 -0.061 0.000 1.205 41 W CA -0.753 56.508 57.345 -0.139 0.000 1.773 41 W CB 0.291 29.634 29.460 -0.194 0.000 1.086 41 W HN -0.157 nan 8.180 nan 0.000 0.622 42 K N 2.090 122.584 120.400 0.158 0.000 2.473 42 K HA -0.058 4.263 4.320 0.001 0.000 0.277 42 K C 1.159 177.849 176.600 0.149 0.000 1.052 42 K CA 0.676 57.035 56.287 0.120 0.000 1.114 42 K CB 0.449 32.987 32.500 0.064 0.000 0.869 42 K HN -0.051 nan 8.250 nan 0.000 0.481 43 R N 2.044 122.615 120.500 0.119 0.000 2.121 43 R HA 0.057 4.398 4.340 0.001 0.000 0.206 43 R C 0.484 176.831 176.300 0.078 0.000 1.094 43 R CA 0.416 56.590 56.100 0.123 0.000 1.055 43 R CB -0.538 29.824 30.300 0.103 0.000 0.964 43 R HN 0.821 nan 8.270 nan 0.000 0.473 44 N N 2.012 120.747 118.700 0.057 0.000 2.405 44 N HA 0.201 4.942 4.740 0.001 0.000 0.269 44 N C -2.637 172.888 175.510 0.025 0.000 1.249 44 N CA -1.651 51.423 53.050 0.041 0.000 0.974 44 N CB -0.767 37.742 38.487 0.038 0.000 1.204 44 N HN -0.237 nan 8.380 nan 0.000 0.565 45 P HA 0.068 nan 4.420 nan 0.000 0.268 45 P C -0.743 176.547 177.300 -0.016 0.000 1.205 45 P CA 0.148 63.246 63.100 -0.004 0.000 0.771 45 P CB 0.284 31.984 31.700 -0.001 0.000 0.858 46 D N 2.235 122.614 120.400 -0.035 0.000 2.316 46 D HA 0.012 4.652 4.640 0.001 0.000 0.245 46 D C 1.107 177.353 176.300 -0.089 0.000 1.171 46 D CA -0.318 53.652 54.000 -0.050 0.000 0.856 46 D CB 0.848 41.617 40.800 -0.052 0.000 1.090 46 D HN 0.343 nan 8.370 nan 0.000 0.476 47 K N 2.944 123.294 120.400 -0.084 0.000 2.360 47 K HA -0.113 4.208 4.320 0.001 0.000 0.201 47 K C 0.458 176.927 176.600 -0.217 0.000 1.046 47 K CA 0.971 57.189 56.287 -0.115 0.000 0.940 47 K CB 0.112 32.566 32.500 -0.077 0.000 0.748 47 K HN 0.168 nan 8.250 nan 0.000 0.465 48 N N 0.359 118.922 118.700 -0.228 0.000 2.336 48 N HA -0.017 4.724 4.740 0.001 0.000 0.189 48 N C -0.346 174.834 175.510 -0.551 0.000 1.113 48 N CA 0.109 52.937 53.050 -0.370 0.000 0.858 48 N CB 0.231 38.618 38.487 -0.167 0.000 0.970 48 N HN 0.196 nan 8.380 nan 0.000 0.471 49 C N 1.620 120.708 119.300 -0.353 0.000 2.322 49 C HA 0.281 4.742 4.460 0.001 0.000 0.343 49 C C 1.500 176.336 174.990 -0.257 0.000 1.190 49 C CA -0.638 58.248 59.018 -0.221 0.000 1.704 49 C CB -2.040 25.644 27.740 -0.094 0.000 2.293 49 C HN 0.279 nan 8.230 nan 0.000 0.523 50 F N 2.720 122.693 119.950 0.038 0.000 2.407 50 F HA 0.104 4.632 4.527 0.001 0.000 0.299 50 F C 1.640 177.497 175.800 0.094 0.000 1.097 50 F CA 1.013 59.046 58.000 0.055 0.000 1.422 50 F CB -0.238 38.794 39.000 0.053 0.000 1.067 50 F HN 0.674 nan 8.300 nan 0.000 0.539 51 H N -0.521 118.628 119.070 0.133 0.000 3.179 51 H HA 0.273 4.830 4.556 0.001 0.000 0.331 51 H C -0.888 174.455 175.328 0.024 0.000 1.013 51 H CA -1.160 54.922 56.048 0.057 0.000 1.430 51 H CB 0.865 30.654 29.762 0.045 0.000 1.895 51 H HN -0.033 nan 8.280 nan 0.000 0.468 52 C N 2.455 121.506 119.300 -0.414 0.000 2.574 52 C HA 0.169 4.629 4.460 0.001 0.000 0.335 52 C C 0.838 175.670 174.990 -0.263 0.000 1.493 52 C CA -0.598 58.268 59.018 -0.254 0.000 2.217 52 C CB 0.425 28.055 27.740 -0.184 0.000 2.056 52 C HN 0.744 nan 8.230 nan 0.000 0.607 53 E N 1.145 121.269 120.200 -0.126 0.000 2.537 53 E HA -0.049 4.302 4.350 0.001 0.000 0.269 53 E C -0.083 176.480 176.600 -0.063 0.000 1.038 53 E CA 0.448 56.807 56.400 -0.068 0.000 0.977 53 E CB 0.219 29.882 29.700 -0.061 0.000 0.973 53 E HN 0.478 nan 8.360 nan 0.000 0.456 54 K N 1.637 122.033 120.400 -0.006 0.000 2.355 54 K HA 0.047 4.368 4.320 0.001 0.000 0.270 54 K C 0.401 176.967 176.600 -0.058 0.000 1.003 54 K CA 0.157 56.444 56.287 0.001 0.000 0.957 54 K CB 0.278 32.784 32.500 0.010 0.000 0.939 54 K HN 0.407 nan 8.250 nan 0.000 0.482 55 L N 2.431 123.608 121.223 -0.078 0.000 3.298 55 L HA 0.214 4.555 4.340 0.001 0.000 0.296 55 L C -0.089 176.685 176.870 -0.160 0.000 1.237 55 L CA -0.343 54.408 54.840 -0.148 0.000 1.038 55 L CB 0.562 42.495 42.059 -0.210 0.000 1.423 55 L HN 0.746 nan 8.230 nan 0.000 0.605 56 E N 1.556 121.704 120.200 -0.087 0.000 2.417 56 E HA -0.123 4.228 4.350 0.001 0.000 0.261 56 E C 0.540 177.105 176.600 -0.058 0.000 1.000 56 E CA 0.203 56.566 56.400 -0.062 0.000 0.919 56 E CB 0.245 29.938 29.700 -0.013 0.000 0.955 56 E HN 0.252 nan 8.360 nan 0.000 0.455 57 N N 3.016 121.686 118.700 -0.050 0.000 2.708 57 N HA -0.253 4.488 4.740 0.001 0.000 0.251 57 N C -1.400 174.110 175.510 0.000 0.000 1.123 57 N CA 0.896 53.997 53.050 0.085 0.000 0.739 57 N CB -0.977 37.596 38.487 0.144 0.000 1.113 57 N HN 0.465 nan 8.380 nan 0.000 0.561 58 N N 0.495 119.022 118.700 -0.288 0.000 2.527 58 N HA 0.226 4.967 4.740 0.001 0.000 0.236 58 N C -0.656 174.605 175.510 -0.415 0.000 0.999 58 N CA -0.232 52.689 53.050 -0.216 0.000 0.935 58 N CB -0.146 38.229 38.487 -0.187 0.000 1.132 58 N HN 0.189 nan 8.380 nan 0.000 0.511 59 F N 0.660 120.669 119.950 0.098 0.000 2.772 59 F HA 0.284 4.812 4.527 0.002 0.000 0.302 59 F C 0.378 176.282 175.800 0.172 0.000 1.136 59 F CA -0.716 57.405 58.000 0.202 0.000 1.322 59 F CB 0.243 39.355 39.000 0.185 0.000 0.967 59 F HN 0.186 nan 8.300 nan 0.000 0.513 60 D N 0.797 121.301 120.400 0.173 0.000 2.423 60 D HA -0.067 4.574 4.640 0.001 0.000 0.238 60 D C 0.038 176.426 176.300 0.146 0.000 1.142 60 D CA 0.176 54.254 54.000 0.129 0.000 0.884 60 D CB 0.567 41.398 40.800 0.052 0.000 1.199 60 D HN 0.069 nan 8.370 nan 0.000 0.438 61 D N 0.772 121.251 120.400 0.131 0.000 2.472 61 D HA -0.049 4.592 4.640 0.001 0.000 0.248 61 D C 1.005 177.355 176.300 0.083 0.000 1.174 61 D CA 0.129 54.209 54.000 0.133 0.000 0.883 61 D CB 0.207 41.062 40.800 0.093 0.000 1.149 61 D HN 0.432 nan 8.370 nan 0.000 0.488 62 I N -0.101 120.540 120.570 0.118 0.000 4.018 62 I HA 0.229 4.399 4.170 0.001 0.000 0.337 62 I C 0.219 176.367 176.117 0.052 0.000 1.327 62 I CA -0.689 60.634 61.300 0.037 0.000 1.100 62 I CB 0.040 38.047 38.000 0.011 0.000 1.025 62 I HN -0.016 nan 8.210 nan 0.000 0.396 63 K N 1.896 122.356 120.400 0.100 0.000 2.448 63 K HA 0.093 4.414 4.320 0.001 0.000 0.278 63 K C 0.365 177.008 176.600 0.072 0.000 1.009 63 K CA -0.043 56.321 56.287 0.129 0.000 0.995 63 K CB 0.559 33.127 32.500 0.114 0.000 0.917 63 K HN 0.325 nan 8.250 nan 0.000 0.481 64 H N 0.745 119.843 119.070 0.047 0.000 2.548 64 H HA -0.052 4.504 4.556 0.001 0.000 0.268 64 H C 1.493 176.842 175.328 0.036 0.000 0.975 64 H CA 1.359 57.429 56.048 0.037 0.000 1.195 64 H CB 0.483 30.263 29.762 0.031 0.000 1.397 64 H HN 0.688 nan 8.280 nan 0.000 0.572 65 T N -1.672 112.971 114.554 0.148 0.000 3.081 65 T HA 0.004 4.355 4.350 0.001 0.000 0.250 65 T C 1.049 175.793 174.700 0.074 0.000 1.100 65 T CA -0.118 62.041 62.100 0.099 0.000 1.038 65 T CB -0.256 68.665 68.868 0.088 0.000 0.962 65 T HN -0.052 nan 8.240 nan 0.000 0.516 66 T N 3.125 117.719 114.554 0.067 0.000 2.908 66 T HA 0.391 4.741 4.350 0.001 0.000 0.301 66 T C -0.235 174.490 174.700 0.042 0.000 1.019 66 T CA 0.180 62.314 62.100 0.058 0.000 1.152 66 T CB 0.122 69.020 68.868 0.050 0.000 0.966 66 T HN 0.289 nan 8.240 nan 0.000 0.540 67 L N 2.085 123.336 121.223 0.046 0.000 2.370 67 L HA 0.704 5.045 4.340 0.001 0.000 0.266 67 L C 0.864 177.715 176.870 -0.032 0.000 1.002 67 L CA -1.040 53.787 54.840 -0.021 0.000 0.818 67 L CB 2.073 44.086 42.059 -0.076 0.000 1.325 67 L HN 0.743 nan 8.230 nan 0.000 0.418 68 G N -0.258 108.457 108.800 -0.142 0.000 2.531 68 G HA2 0.236 4.197 3.960 0.001 0.000 0.313 68 G HA3 0.236 4.197 3.960 0.001 0.000 0.313 68 G C 0.390 174.993 174.900 -0.496 0.000 1.238 68 G CA -0.252 44.735 45.100 -0.188 0.000 0.994 68 G HN 0.786 nan 8.290 nan 0.000 0.493 69 E N -0.641 119.314 120.200 -0.407 0.000 2.077 69 E HA -0.179 4.171 4.350 0.001 0.000 0.193 69 E C 2.282 178.650 176.600 -0.387 0.000 0.989 69 E CA 1.021 57.070 56.400 -0.584 0.000 0.800 69 E CB -0.059 29.589 29.700 -0.086 0.000 0.746 69 E HN 0.502 nan 8.360 nan 0.000 0.452 70 R N -0.091 120.282 120.500 -0.211 0.000 2.080 70 R HA -0.143 4.198 4.340 0.001 0.000 0.236 70 R C 2.354 178.574 176.300 -0.134 0.000 1.137 70 R CA 1.860 57.895 56.100 -0.107 0.000 0.943 70 R CB -0.720 29.569 30.300 -0.018 0.000 0.846 70 R HN 0.290 nan 8.270 nan 0.000 0.431 71 G N -0.307 108.397 108.800 -0.161 0.000 2.408 71 G HA2 -0.206 3.755 3.960 0.001 0.000 0.217 71 G HA3 -0.206 3.755 3.960 0.001 0.000 0.217 71 G C 1.519 176.304 174.900 -0.191 0.000 1.150 71 G CA 0.705 45.724 45.100 -0.136 0.000 0.776 71 G HN 0.505 nan 8.290 nan 0.000 0.542 72 A N 0.573 123.167 122.820 -0.376 0.000 1.898 72 A HA 0.150 4.471 4.320 0.001 0.000 0.216 72 A C 2.406 179.858 177.584 -0.220 0.000 1.181 72 A CA 1.052 52.841 52.037 -0.414 0.000 0.620 72 A CB -0.364 18.004 19.000 -1.055 0.000 0.819 72 A HN 0.342 nan 8.150 nan 0.000 0.442 73 L N -1.295 119.811 121.223 -0.194 0.000 2.046 73 L HA -0.161 4.180 4.340 0.001 0.000 0.208 73 L C 2.822 179.677 176.870 -0.025 0.000 1.077 73 L CA 1.608 56.423 54.840 -0.042 0.000 0.747 73 L CB -0.431 41.626 42.059 -0.003 0.000 0.896 73 L HN 0.408 nan 8.230 nan 0.000 0.432 74 R N 0.072 120.544 120.500 -0.047 0.000 2.073 74 R HA -0.222 4.119 4.340 0.001 0.000 0.234 74 R C 2.268 178.556 176.300 -0.021 0.000 1.134 74 R CA 1.716 57.800 56.100 -0.027 0.000 0.952 74 R CB -0.005 30.277 30.300 -0.030 0.000 0.850 74 R HN 0.180 nan 8.270 nan 0.000 0.433 75 E N 0.032 120.212 120.200 -0.032 0.000 2.106 75 E HA -0.081 4.270 4.350 0.001 0.000 0.192 75 E C 1.607 178.201 176.600 -0.010 0.000 0.984 75 E CA 1.424 57.812 56.400 -0.019 0.000 0.806 75 E CB -0.080 29.608 29.700 -0.020 0.000 0.750 75 E HN 0.405 nan 8.360 nan 0.000 0.458 76 A N 0.180 122.998 122.820 -0.003 0.000 1.930 76 A HA -0.142 4.179 4.320 0.001 0.000 0.217 76 A C 2.209 179.800 177.584 0.011 0.000 1.175 76 A CA 1.622 53.667 52.037 0.014 0.000 0.627 76 A CB -0.482 18.555 19.000 0.061 0.000 0.815 76 A HN 0.335 nan 8.150 nan 0.000 0.443 77 M N -1.615 117.994 119.600 0.015 0.000 2.319 77 M HA -0.058 4.423 4.480 0.001 0.000 0.265 77 M C 2.284 178.588 176.300 0.008 0.000 1.068 77 M CA 1.272 56.581 55.300 0.016 0.000 1.118 77 M CB -0.148 32.462 32.600 0.016 0.000 1.395 77 M HN 0.435 nan 8.290 nan 0.000 0.435 78 R N -0.007 120.494 120.500 0.001 0.000 2.115 78 R HA -0.034 4.307 4.340 0.001 0.000 0.226 78 R C 0.782 177.080 176.300 -0.003 0.000 1.100 78 R CA 0.403 56.504 56.100 0.001 0.000 0.980 78 R CB -0.043 30.256 30.300 -0.001 0.000 0.875 78 R HN 0.433 nan 8.270 nan 0.000 0.445 79 C N 1.320 120.612 119.300 -0.014 0.000 2.596 79 C HA 0.031 4.492 4.460 0.001 0.000 0.414 79 C C 1.919 176.897 174.990 -0.020 0.000 1.396 79 C CA -0.437 58.564 59.018 -0.029 0.000 1.698 79 C CB -0.502 27.201 27.740 -0.062 0.000 2.572 79 C HN 0.567 nan 8.230 nan 0.000 0.604 80 L N 3.816 125.029 121.223 -0.017 0.000 2.376 80 L HA 0.019 4.360 4.340 0.001 0.000 0.219 80 L C 1.585 178.445 176.870 -0.016 0.000 1.133 80 L CA 0.596 55.432 54.840 -0.006 0.000 0.816 80 L CB -0.633 41.425 42.059 -0.001 0.000 0.933 80 L HN 0.830 nan 8.230 nan 0.000 0.449 81 K N -0.200 120.175 120.400 -0.041 0.000 3.419 81 K HA -0.169 4.152 4.320 0.001 0.000 0.272 81 K C -0.097 176.477 176.600 -0.042 0.000 0.973 81 K CA -0.061 56.194 56.287 -0.055 0.000 0.749 81 K CB -2.311 30.165 32.500 -0.039 0.000 1.403 81 K HN 0.314 nan 8.250 nan 0.000 0.456 82 C N 0.743 120.016 119.300 -0.044 0.000 2.703 82 C HA 0.358 4.819 4.460 0.001 0.000 0.411 82 C C 1.640 176.609 174.990 -0.035 0.000 1.290 82 C CA -0.423 58.576 59.018 -0.033 0.000 2.054 82 C CB -0.075 27.647 27.740 -0.030 0.000 2.732 82 C HN 0.654 nan 8.230 nan 0.000 0.650 83 A N 1.311 124.116 122.820 -0.025 0.000 2.371 83 A HA 0.449 4.770 4.320 0.001 0.000 0.257 83 A C 0.681 178.253 177.584 -0.020 0.000 1.089 83 A CA 0.084 52.108 52.037 -0.022 0.000 0.794 83 A CB -0.104 18.886 19.000 -0.017 0.000 1.029 83 A HN 1.097 nan 8.150 nan 0.000 0.488 84 D N -0.058 120.332 120.400 -0.016 0.000 2.702 84 D HA -0.132 4.509 4.640 0.001 0.000 0.233 84 D C 0.498 176.785 176.300 -0.022 0.000 1.164 84 D CA 1.045 55.039 54.000 -0.010 0.000 0.638 84 D CB -1.134 39.667 40.800 0.002 0.000 1.041 84 D HN 1.125 nan 8.370 nan 0.000 0.422 85 A N 0.864 123.659 122.820 -0.043 0.000 2.580 85 A HA 0.163 4.484 4.320 0.001 0.000 0.244 85 A C -0.463 177.092 177.584 -0.049 0.000 1.045 85 A CA -0.033 51.973 52.037 -0.052 0.000 0.761 85 A CB 0.378 19.331 19.000 -0.078 0.000 0.962 85 A HN 0.338 nan 8.150 nan 0.000 0.512 86 P HA -0.135 nan 4.420 nan 0.000 0.223 86 P C 1.578 178.858 177.300 -0.033 0.000 1.151 86 P CA 1.596 64.682 63.100 -0.024 0.000 0.787 86 P CB -0.422 31.268 31.700 -0.016 0.000 0.788 87 C N -0.558 118.715 119.300 -0.045 0.000 2.446 87 C HA -0.101 4.360 4.460 0.001 0.000 0.277 87 C C 2.992 177.947 174.990 -0.057 0.000 1.275 87 C CA 0.921 59.912 59.018 -0.045 0.000 1.727 87 C CB -2.188 25.520 27.740 -0.053 0.000 2.010 87 C HN 0.212 nan 8.230 nan 0.000 0.486 88 Q N 1.235 120.976 119.800 -0.099 0.000 2.079 88 Q HA -0.161 4.180 4.340 0.001 0.000 0.200 88 Q C 2.234 178.147 176.000 -0.145 0.000 0.974 88 Q CA 1.404 57.101 55.803 -0.177 0.000 0.840 88 Q CB -0.131 28.427 28.738 -0.300 0.000 0.898 88 Q HN 0.622 nan 8.270 nan 0.000 0.430 89 K N 0.094 120.457 120.400 -0.062 0.000 2.147 89 K HA -0.057 4.264 4.320 0.001 0.000 0.205 89 K C 1.879 178.507 176.600 0.047 0.000 1.049 89 K CA 1.288 57.604 56.287 0.049 0.000 0.936 89 K CB -0.043 32.480 32.500 0.037 0.000 0.722 89 K HN 0.112 nan 8.250 nan 0.000 0.446 90 S N 0.466 116.170 115.700 0.007 0.000 2.593 90 S HA -0.012 4.458 4.470 0.001 0.000 0.217 90 S C 0.755 175.360 174.600 0.009 0.000 0.966 90 S CA -0.274 57.929 58.200 0.004 0.000 0.914 90 S CB -0.183 63.008 63.200 -0.014 0.000 0.776 90 S HN 0.334 nan 8.310 nan 0.000 0.523 91 C N 3.422 122.731 119.300 0.016 0.000 2.285 91 C HA 0.451 4.912 4.460 0.001 0.000 0.335 91 C C -1.562 173.456 174.990 0.046 0.000 1.267 91 C CA -2.171 56.859 59.018 0.021 0.000 1.762 91 C CB 0.523 28.269 27.740 0.010 0.000 2.365 91 C HN 0.242 nan 8.230 nan 0.000 0.527 92 P HA -0.085 nan 4.420 nan 0.000 0.219 92 P C 1.220 178.544 177.300 0.040 0.000 1.146 92 P CA 1.802 64.921 63.100 0.032 0.000 0.808 92 P CB 0.057 31.767 31.700 0.016 0.000 0.779 93 T N -6.495 108.085 114.554 0.043 0.000 3.145 93 T HA 0.160 4.511 4.350 0.001 0.000 0.255 93 T C 0.371 175.140 174.700 0.115 0.000 1.039 93 T CA -0.303 61.826 62.100 0.048 0.000 0.928 93 T CB -1.058 67.824 68.868 0.023 0.000 1.029 93 T HN 0.069 nan 8.240 nan 0.000 0.554 94 H N -0.237 118.825 119.070 -0.013 0.000 2.713 94 H HA -0.118 4.439 4.556 0.001 0.000 0.311 94 H C -0.364 174.969 175.328 0.008 0.000 1.175 94 H CA -0.165 55.879 56.048 -0.007 0.000 1.143 94 H CB -2.254 27.495 29.762 -0.021 0.000 1.434 94 H HN 0.387 nan 8.280 nan 0.000 0.418 95 L N 1.075 122.295 121.223 -0.006 0.000 2.525 95 L HA 0.046 4.387 4.340 0.001 0.000 0.278 95 L C 0.850 177.705 176.870 -0.026 0.000 1.218 95 L CA 0.812 55.660 54.840 0.014 0.000 0.878 95 L CB 0.370 42.471 42.059 0.071 0.000 1.127 95 L HN 0.382 nan 8.230 nan 0.000 0.492 96 D N 4.094 124.505 120.400 0.018 0.000 2.551 96 D HA 0.054 4.694 4.640 0.001 0.000 0.223 96 D C 1.307 177.625 176.300 0.030 0.000 1.144 96 D CA 0.216 54.204 54.000 -0.019 0.000 1.025 96 D CB 0.096 40.896 40.800 -0.000 0.000 1.085 96 D HN 0.444 nan 8.370 nan 0.000 0.506 97 I N 1.993 122.529 120.570 -0.058 0.000 2.208 97 I HA -0.264 3.907 4.170 0.001 0.000 0.245 97 I C 2.481 178.310 176.117 -0.480 0.000 1.097 97 I CA 0.876 61.973 61.300 -0.338 0.000 1.363 97 I CB -0.119 37.730 38.000 -0.251 0.000 1.051 97 I HN 0.313 nan 8.210 nan 0.000 0.413 98 K N 1.024 121.276 120.400 -0.247 0.000 2.020 98 K HA -0.212 4.108 4.320 0.001 0.000 0.212 98 K C 2.237 178.740 176.600 -0.163 0.000 1.050 98 K CA 2.194 58.367 56.287 -0.190 0.000 0.929 98 K CB -0.079 32.354 32.500 -0.113 0.000 0.714 98 K HN 0.177 nan 8.250 nan 0.000 0.443 99 S N 0.655 116.295 115.700 -0.100 0.000 2.355 99 S HA -0.117 4.354 4.470 0.001 0.000 0.222 99 S C 1.638 176.252 174.600 0.022 0.000 1.031 99 S CA 1.377 59.555 58.200 -0.036 0.000 0.993 99 S CB -0.464 62.732 63.200 -0.007 0.000 0.859 99 S HN 0.558 nan 8.310 nan 0.000 0.453 100 F N 1.823 121.758 119.950 -0.026 0.000 2.234 100 F HA 0.142 4.670 4.527 0.002 0.000 0.299 100 F C 1.692 177.512 175.800 0.032 0.000 1.087 100 F CA 0.630 58.626 58.000 -0.008 0.000 1.340 100 F CB -0.754 38.231 39.000 -0.024 0.000 1.031 100 F HN 0.103 nan 8.300 nan 0.000 0.500 101 I N 0.491 120.805 120.570 -0.427 0.000 2.353 101 I HA -0.211 3.960 4.170 0.001 0.000 0.248 101 I C 2.237 178.338 176.117 -0.028 0.000 1.119 101 I CA 1.461 62.613 61.300 -0.246 0.000 1.417 101 I CB -0.854 36.885 38.000 -0.434 0.000 1.078 101 I HN 0.218 nan 8.210 nan 0.000 0.421 102 T N 0.206 114.735 114.554 -0.042 0.000 2.746 102 T HA -0.159 4.192 4.350 0.001 0.000 0.267 102 T C 2.146 176.889 174.700 0.071 0.000 1.039 102 T CA 1.804 63.911 62.100 0.011 0.000 1.142 102 T CB -0.143 68.718 68.868 -0.011 0.000 0.866 102 T HN 0.269 nan 8.240 nan 0.000 0.444 103 S N 1.000 116.758 115.700 0.096 0.000 2.370 103 S HA -0.020 4.451 4.470 0.001 0.000 0.226 103 S C 2.041 176.757 174.600 0.193 0.000 1.033 103 S CA 0.939 59.218 58.200 0.131 0.000 1.011 103 S CB -0.432 62.850 63.200 0.138 0.000 0.852 103 S HN 0.424 nan 8.310 nan 0.000 0.457 104 I N 1.924 122.663 120.570 0.283 0.000 2.226 104 I HA -0.206 3.965 4.170 0.001 0.000 0.245 104 I C 2.684 178.981 176.117 0.301 0.000 1.100 104 I CA 1.448 63.000 61.300 0.419 0.000 1.374 104 I CB -0.590 37.657 38.000 0.413 0.000 1.057 104 I HN 0.385 nan 8.210 nan 0.000 0.413 105 S N 0.916 116.722 115.700 0.178 0.000 2.419 105 S HA -0.142 4.329 4.470 0.001 0.000 0.233 105 S C 1.478 176.147 174.600 0.114 0.000 1.016 105 S CA 1.229 59.504 58.200 0.124 0.000 0.974 105 S CB -0.434 62.814 63.200 0.079 0.000 0.786 105 S HN 0.418 nan 8.310 nan 0.000 0.492 106 N N 1.483 120.249 118.700 0.110 0.000 2.268 106 N HA 0.227 4.968 4.740 0.001 0.000 0.204 106 N C -0.215 175.304 175.510 0.015 0.000 1.124 106 N CA 0.128 53.228 53.050 0.083 0.000 0.838 106 N CB -0.043 38.516 38.487 0.120 0.000 0.994 106 N HN 0.530 nan 8.380 nan 0.000 0.489 107 K N -0.727 119.660 120.400 -0.022 0.000 3.341 107 K HA -0.207 4.114 4.320 0.001 0.000 0.305 107 K C -0.236 175.989 176.600 -0.625 0.000 1.270 107 K CA 0.494 56.570 56.287 -0.353 0.000 0.897 107 K CB -1.611 30.777 32.500 -0.186 0.000 1.264 107 K HN 0.136 nan 8.250 nan 0.000 0.468 108 N N 0.873 119.430 118.700 -0.239 0.000 3.083 108 N HA 0.104 4.845 4.740 0.001 0.000 0.260 108 N C 0.401 175.944 175.510 0.056 0.000 1.163 108 N CA -0.244 52.756 53.050 -0.082 0.000 1.060 108 N CB 0.151 38.670 38.487 0.053 0.000 1.345 108 N HN 0.083 nan 8.380 nan 0.000 0.515 109 Y N 0.728 121.159 120.300 0.219 0.000 2.293 109 Y HA -0.131 4.420 4.550 0.001 0.000 0.291 109 Y C 1.786 177.784 175.900 0.164 0.000 1.137 109 Y CA 0.693 58.906 58.100 0.189 0.000 1.202 109 Y CB -1.034 37.526 38.460 0.167 0.000 0.990 109 Y HN 0.543 nan 8.280 nan 0.000 0.537 110 Y N 0.584 121.027 120.300 0.237 0.000 2.114 110 Y HA -0.092 4.459 4.550 0.001 0.000 0.284 110 Y C 2.557 178.484 175.900 0.045 0.000 1.143 110 Y CA 1.512 59.705 58.100 0.155 0.000 1.135 110 Y CB -0.805 37.747 38.460 0.153 0.000 0.980 110 Y HN 0.050 nan 8.280 nan 0.000 0.499 111 G N 0.024 108.785 108.800 -0.065 0.000 2.442 111 G HA2 -0.293 3.668 3.960 0.001 0.000 0.219 111 G HA3 -0.293 3.668 3.960 0.001 0.000 0.219 111 G C 1.810 176.625 174.900 -0.142 0.000 1.141 111 G CA 1.196 46.203 45.100 -0.155 0.000 0.763 111 G HN 0.654 nan 8.290 nan 0.000 0.554 112 A N 1.219 124.039 122.820 0.000 0.000 1.877 112 A HA 0.271 4.591 4.320 0.001 0.000 0.216 112 A C 2.858 180.373 177.584 -0.114 0.000 1.186 112 A CA 2.360 54.440 52.037 0.071 0.000 0.620 112 A CB -0.925 18.219 19.000 0.241 0.000 0.822 112 A HN 0.830 nan 8.150 nan 0.000 0.443 113 A N -0.134 122.580 122.820 -0.178 0.000 1.902 113 A HA -0.201 4.119 4.320 0.001 0.000 0.217 113 A C 2.152 179.490 177.584 -0.411 0.000 1.181 113 A CA 2.129 54.006 52.037 -0.267 0.000 0.623 113 A CB -0.520 18.270 19.000 -0.350 0.000 0.818 113 A HN 0.583 nan 8.150 nan 0.000 0.443 114 K N -1.326 118.717 120.400 -0.594 0.000 2.063 114 K HA -0.215 4.106 4.320 0.001 0.000 0.208 114 K C 2.029 178.475 176.600 -0.256 0.000 1.048 114 K CA 1.982 57.986 56.287 -0.471 0.000 0.928 114 K CB -0.251 31.883 32.500 -0.611 0.000 0.713 114 K HN 0.363 nan 8.250 nan 0.000 0.442 115 M N 1.204 120.681 119.600 -0.204 0.000 2.117 115 M HA -0.071 4.409 4.480 0.001 0.000 0.262 115 M C 1.701 177.927 176.300 -0.124 0.000 1.065 115 M CA 1.459 56.698 55.300 -0.103 0.000 1.114 115 M CB -0.154 32.444 32.600 -0.004 0.000 1.361 115 M HN 0.227 nan 8.290 nan 0.000 0.408 116 I N -0.950 119.487 120.570 -0.223 0.000 2.142 116 I HA -0.298 3.873 4.170 0.001 0.000 0.240 116 I C 1.804 177.688 176.117 -0.388 0.000 1.078 116 I CA 1.397 62.485 61.300 -0.354 0.000 1.343 116 I CB -0.477 37.203 38.000 -0.534 0.000 1.046 116 I HN 0.161 nan 8.210 nan 0.000 0.405 117 F N 0.508 120.147 119.950 -0.518 0.000 2.365 117 F HA -0.139 4.389 4.527 0.001 0.000 0.300 117 F C 2.692 178.243 175.800 -0.415 0.000 1.090 117 F CA 0.907 58.511 58.000 -0.660 0.000 1.408 117 F CB -0.587 37.549 39.000 -1.440 0.000 1.060 117 F HN -0.048 nan 8.300 nan 0.000 0.534 118 S N -0.582 115.058 115.700 -0.100 0.000 2.368 118 S HA -0.184 4.287 4.470 0.001 0.000 0.225 118 S C 1.596 176.264 174.600 0.113 0.000 1.030 118 S CA 1.558 59.780 58.200 0.036 0.000 0.999 118 S CB -0.189 63.009 63.200 -0.003 0.000 0.844 118 S HN 0.380 nan 8.310 nan 0.000 0.459 119 D N 0.134 120.568 120.400 0.057 0.000 2.389 119 D HA 0.125 4.766 4.640 0.001 0.000 0.206 119 D C 0.130 176.511 176.300 0.134 0.000 1.055 119 D CA 0.279 54.363 54.000 0.140 0.000 0.856 119 D CB 0.197 41.039 40.800 0.071 0.000 0.957 119 D HN 0.161 nan 8.370 nan 0.000 0.509 120 N N 0.384 119.056 118.700 -0.046 0.000 2.607 120 N HA 0.154 4.895 4.740 0.001 0.000 0.271 120 N C -2.405 172.900 175.510 -0.341 0.000 1.142 120 N CA -1.531 51.440 53.050 -0.132 0.000 0.810 120 N CB 2.120 40.479 38.487 -0.214 0.000 1.306 120 N HN -0.306 nan 8.380 nan 0.000 0.536 121 P HA -0.010 nan 4.420 nan 0.000 0.223 121 P C 0.299 177.483 177.300 -0.193 0.000 1.144 121 P CA 0.876 63.875 63.100 -0.168 0.000 0.783 121 P CB 0.366 31.980 31.700 -0.143 0.000 0.771 122 L N -1.460 119.607 121.223 -0.260 0.000 3.108 122 L HA 0.365 4.706 4.340 0.001 0.000 0.251 122 L C 1.880 178.529 176.870 -0.367 0.000 1.315 122 L CA 0.077 54.792 54.840 -0.209 0.000 1.048 122 L CB -0.740 41.264 42.059 -0.090 0.000 1.432 122 L HN -0.102 nan 8.230 nan 0.000 0.543 123 G N -0.111 108.168 108.800 -0.868 0.000 2.469 123 G HA2 -0.275 3.686 3.960 0.001 0.000 0.220 123 G HA3 -0.275 3.686 3.960 0.001 0.000 0.220 123 G C 1.458 176.107 174.900 -0.419 0.000 1.136 123 G CA 0.814 45.394 45.100 -0.867 0.000 0.759 123 G HN 0.368 nan 8.290 nan 0.000 0.562 124 L N 0.750 121.876 121.223 -0.162 0.000 2.044 124 L HA 0.087 4.427 4.340 0.001 0.000 0.205 124 L C 2.898 179.775 176.870 0.011 0.000 1.075 124 L CA 2.432 57.307 54.840 0.058 0.000 0.747 124 L CB -1.125 41.115 42.059 0.302 0.000 0.903 124 L HN 0.165 nan 8.230 nan 0.000 0.435 125 T N -0.921 113.639 114.554 0.010 0.000 2.652 125 T HA -0.245 4.106 4.350 0.001 0.000 0.267 125 T C 2.001 176.687 174.700 -0.023 0.000 1.039 125 T CA 1.916 64.018 62.100 0.002 0.000 1.153 125 T CB -0.725 68.144 68.868 0.000 0.000 0.863 125 T HN 0.489 nan 8.240 nan 0.000 0.428 126 C N 1.239 120.501 119.300 -0.063 0.000 2.429 126 C HA 0.042 4.503 4.460 0.001 0.000 0.277 126 C C 3.088 178.052 174.990 -0.043 0.000 1.262 126 C CA 0.365 59.348 59.018 -0.058 0.000 1.733 126 C CB -1.598 26.087 27.740 -0.091 0.000 2.010 126 C HN 0.744 nan 8.230 nan 0.000 0.483 127 G N 0.068 108.831 108.800 -0.062 0.000 2.442 127 G HA2 -0.241 3.720 3.960 0.001 0.000 0.219 127 G HA3 -0.241 3.720 3.960 0.001 0.000 0.219 127 G C 1.602 176.508 174.900 0.009 0.000 1.141 127 G CA 0.841 45.924 45.100 -0.028 0.000 0.763 127 G HN 0.524 nan 8.290 nan 0.000 0.554 128 M N 0.049 119.655 119.600 0.010 0.000 2.287 128 M HA 0.057 4.538 4.480 0.001 0.000 0.266 128 M C 2.447 178.766 176.300 0.032 0.000 1.079 128 M CA 1.097 56.415 55.300 0.029 0.000 1.146 128 M CB 0.244 32.863 32.600 0.031 0.000 1.374 128 M HN 0.253 nan 8.290 nan 0.000 0.435 129 V N -4.233 115.691 119.914 0.018 0.000 3.645 129 V HA 0.200 4.320 4.120 0.001 0.000 0.275 129 V C 0.797 176.899 176.094 0.012 0.000 1.356 129 V CA -0.642 61.669 62.300 0.019 0.000 1.051 129 V CB -0.758 31.073 31.823 0.014 0.000 0.828 129 V HN 0.267 nan 8.190 nan 0.000 0.441 130 C N 4.408 123.712 119.300 0.006 0.000 2.596 130 C HA 0.260 4.721 4.460 0.001 0.000 0.414 130 C C -1.285 173.707 174.990 0.003 0.000 1.396 130 C CA -0.030 58.989 59.018 0.002 0.000 1.698 130 C CB 0.101 27.840 27.740 -0.001 0.000 2.572 130 C HN 0.544 nan 8.230 nan 0.000 0.604 131 P HA 0.095 nan 4.420 nan 0.000 0.225 131 P C 0.987 178.278 177.300 -0.016 0.000 1.813 131 P CA 0.257 63.348 63.100 -0.015 0.000 1.013 131 P CB -0.054 31.632 31.700 -0.023 0.000 1.961 132 T N -1.101 113.449 114.554 -0.006 0.000 2.760 132 T HA -0.238 4.113 4.350 0.001 0.000 0.269 132 T C 1.841 176.531 174.700 -0.018 0.000 1.047 132 T CA 1.995 64.093 62.100 -0.004 0.000 1.139 132 T CB -1.153 67.723 68.868 0.013 0.000 0.855 132 T HN 0.320 nan 8.240 nan 0.000 0.471 133 S N 1.160 116.844 115.700 -0.027 0.000 2.442 133 S HA -0.126 4.345 4.470 0.001 0.000 0.236 133 S C 1.587 176.152 174.600 -0.059 0.000 1.007 133 S CA 1.345 59.519 58.200 -0.044 0.000 0.965 133 S CB -0.530 62.642 63.200 -0.047 0.000 0.773 133 S HN 0.602 nan 8.310 nan 0.000 0.504 134 D N -0.339 120.033 120.400 -0.048 0.000 2.395 134 D HA 0.396 5.037 4.640 0.001 0.000 0.213 134 D C 0.635 176.913 176.300 -0.037 0.000 1.110 134 D CA -0.006 53.965 54.000 -0.047 0.000 0.835 134 D CB 0.202 40.976 40.800 -0.044 0.000 0.965 134 D HN 0.433 nan 8.370 nan 0.000 0.505 135 L N -1.209 119.996 121.223 -0.031 0.000 2.910 135 L HA 0.220 4.561 4.340 0.001 0.000 0.222 135 L C 2.318 179.175 176.870 -0.020 0.000 1.846 135 L CA -0.323 54.505 54.840 -0.020 0.000 2.581 135 L CB -0.660 41.393 42.059 -0.010 0.000 2.436 135 L HN 0.052 nan 8.230 nan 0.000 0.659 136 C N -0.169 119.126 119.300 -0.009 0.000 2.376 136 C HA -0.134 4.327 4.460 0.001 0.000 0.275 136 C C 2.399 177.380 174.990 -0.016 0.000 1.200 136 C CA 0.601 59.614 59.018 -0.008 0.000 1.756 136 C CB -1.364 26.382 27.740 0.010 0.000 2.050 136 C HN 0.489 nan 8.230 nan 0.000 0.460 137 V N 2.207 122.116 119.914 -0.009 0.000 2.594 137 V HA -0.024 4.097 4.120 0.001 0.000 0.253 137 V C 2.963 179.034 176.094 -0.038 0.000 1.069 137 V CA 2.221 64.516 62.300 -0.008 0.000 1.082 137 V CB -1.589 30.238 31.823 0.006 0.000 0.680 137 V HN 0.793 nan 8.190 nan 0.000 0.469 138 G N -0.187 108.576 108.800 -0.063 0.000 2.498 138 G HA2 -0.062 3.899 3.960 0.001 0.000 0.219 138 G HA3 -0.062 3.899 3.960 0.001 0.000 0.219 138 G C 1.288 176.114 174.900 -0.123 0.000 1.119 138 G CA 0.820 45.850 45.100 -0.117 0.000 0.766 138 G HN 0.626 nan 8.290 nan 0.000 0.552 139 G N -1.174 107.584 108.800 -0.070 0.000 3.192 139 G HA2 0.170 4.131 3.960 0.001 0.000 0.239 139 G HA3 0.170 4.131 3.960 0.001 0.000 0.239 139 G C 0.430 175.314 174.900 -0.026 0.000 1.084 139 G CA 0.028 45.097 45.100 -0.053 0.000 0.784 139 G HN 0.372 nan 8.290 nan 0.000 0.540 140 C N 1.768 121.060 119.300 -0.012 0.000 2.633 140 C HA 0.141 4.601 4.460 0.001 0.000 0.415 140 C C 1.863 176.886 174.990 0.055 0.000 1.393 140 C CA -0.448 58.581 59.018 0.018 0.000 1.700 140 C CB -0.521 27.238 27.740 0.031 0.000 2.541 140 C HN 0.465 nan 8.230 nan 0.000 0.603 141 N N 3.349 122.070 118.700 0.035 0.000 2.272 141 N HA -0.104 4.637 4.740 0.001 0.000 0.185 141 N C 1.430 176.978 175.510 0.062 0.000 1.014 141 N CA 1.283 54.360 53.050 0.046 0.000 0.870 141 N CB -0.148 38.351 38.487 0.020 0.000 0.975 141 N HN 0.774 nan 8.380 nan 0.000 0.433 142 L N 0.012 121.267 121.223 0.055 0.000 2.622 142 L HA -0.102 4.239 4.340 0.001 0.000 0.233 142 L C 1.830 178.736 176.870 0.059 0.000 1.156 142 L CA 0.236 55.101 54.840 0.041 0.000 0.866 142 L CB -0.372 41.701 42.059 0.024 0.000 0.980 142 L HN 0.140 nan 8.230 nan 0.000 0.448 143 Y N 0.770 121.063 120.300 -0.012 0.000 2.421 143 Y HA -0.158 4.393 4.550 0.001 0.000 0.292 143 Y C 2.193 178.087 175.900 -0.010 0.000 1.136 143 Y CA 0.855 58.948 58.100 -0.010 0.000 1.255 143 Y CB 0.025 38.479 38.460 -0.011 0.000 0.991 143 Y HN 0.135 nan 8.280 nan 0.000 0.552 144 A N -0.039 122.799 122.820 0.030 0.000 2.276 144 A HA 0.167 4.488 4.320 0.001 0.000 0.212 144 A C 0.822 178.360 177.584 -0.076 0.000 1.230 144 A CA 0.686 52.708 52.037 -0.026 0.000 0.844 144 A CB -1.125 17.893 19.000 0.030 0.000 0.860 144 A HN 0.388 nan 8.150 nan 0.000 0.486 145 T N -4.821 109.671 114.554 -0.104 0.000 2.924 145 T HA 0.529 4.879 4.350 0.001 0.000 0.291 145 T C 0.384 175.009 174.700 -0.125 0.000 1.045 145 T CA -0.437 61.611 62.100 -0.087 0.000 1.015 145 T CB 1.447 70.287 68.868 -0.048 0.000 1.103 145 T HN 0.097 nan 8.240 nan 0.000 0.496 146 E N 0.733 120.876 120.200 -0.095 0.000 2.077 146 E HA -0.159 4.192 4.350 0.001 0.000 0.193 146 E C 2.132 178.681 176.600 -0.084 0.000 0.989 146 E CA 1.552 57.894 56.400 -0.096 0.000 0.800 146 E CB -0.072 29.589 29.700 -0.065 0.000 0.746 146 E HN 0.845 nan 8.360 nan 0.000 0.452 147 E N 0.661 120.826 120.200 -0.058 0.000 2.268 147 E HA -0.057 4.294 4.350 0.001 0.000 0.195 147 E C 1.104 177.680 176.600 -0.041 0.000 0.995 147 E CA 0.964 57.340 56.400 -0.039 0.000 0.836 147 E CB -0.404 29.283 29.700 -0.021 0.000 0.763 147 E HN 0.136 nan 8.360 nan 0.000 0.491 148 G N 0.570 109.331 108.800 -0.066 0.000 2.757 148 G HA2 -0.210 3.751 3.960 0.001 0.000 0.638 148 G HA3 -0.210 3.751 3.960 0.001 0.000 0.638 148 G C -0.356 174.554 174.900 0.016 0.000 1.344 148 G CA -0.210 44.859 45.100 -0.051 0.000 0.855 148 G HN 0.268 nan 8.290 nan 0.000 0.537 149 S N -0.170 115.582 115.700 0.086 0.000 2.576 149 S HA 0.390 4.861 4.470 0.001 0.000 0.272 149 S C 1.223 175.854 174.600 0.051 0.000 1.352 149 S CA -0.331 57.925 58.200 0.095 0.000 1.021 149 S CB 0.427 63.714 63.200 0.145 0.000 0.887 149 S HN 0.604 nan 8.310 nan 0.000 0.542 150 I N 2.599 123.189 120.570 0.033 0.000 2.638 150 I HA 0.063 4.234 4.170 0.001 0.000 0.286 150 I C 0.844 176.978 176.117 0.028 0.000 1.088 150 I CA -0.188 61.122 61.300 0.017 0.000 1.397 150 I CB 0.097 38.093 38.000 -0.008 0.000 1.414 150 I HN 0.561 nan 8.210 nan 0.000 0.566 151 N N 6.274 124.994 118.700 0.033 0.000 2.895 151 N HA 0.139 4.880 4.740 0.001 0.000 0.277 151 N C 0.987 176.538 175.510 0.068 0.000 1.185 151 N CA 0.031 53.110 53.050 0.048 0.000 1.106 151 N CB -0.074 38.441 38.487 0.046 0.000 1.422 151 N HN 0.484 nan 8.380 nan 0.000 0.521 152 I N 0.239 120.851 120.570 0.070 0.000 2.179 152 I HA -0.176 3.995 4.170 0.001 0.000 0.242 152 I C 2.301 178.525 176.117 0.179 0.000 1.088 152 I CA 1.215 62.588 61.300 0.122 0.000 1.357 152 I CB -0.441 37.613 38.000 0.091 0.000 1.051 152 I HN 0.477 nan 8.210 nan 0.000 0.409 153 G N 0.772 109.638 108.800 0.111 0.000 2.446 153 G HA2 -0.219 3.742 3.960 0.001 0.000 0.217 153 G HA3 -0.219 3.742 3.960 0.001 0.000 0.217 153 G C 1.725 176.681 174.900 0.094 0.000 1.168 153 G CA 0.937 46.090 45.100 0.087 0.000 0.771 153 G HN 0.506 nan 8.290 nan 0.000 0.551 154 G N 0.652 109.510 108.800 0.097 0.000 2.422 154 G HA2 -0.119 3.842 3.960 0.001 0.000 0.218 154 G HA3 -0.119 3.842 3.960 0.001 0.000 0.218 154 G C 1.817 176.802 174.900 0.141 0.000 1.146 154 G CA 0.732 45.892 45.100 0.099 0.000 0.769 154 G HN 0.430 nan 8.290 nan 0.000 0.547 155 L N -0.269 121.061 121.223 0.178 0.000 2.056 155 L HA -0.069 4.272 4.340 0.001 0.000 0.207 155 L C 2.955 179.998 176.870 0.287 0.000 1.078 155 L CA 1.419 56.421 54.840 0.270 0.000 0.749 155 L CB -0.411 41.838 42.059 0.316 0.000 0.901 155 L HN 0.312 nan 8.230 nan 0.000 0.433 156 Q N 0.020 119.934 119.800 0.190 0.000 2.084 156 Q HA -0.296 4.045 4.340 0.001 0.000 0.202 156 Q C 2.257 178.208 176.000 -0.081 0.000 0.978 156 Q CA 1.871 57.577 55.803 -0.162 0.000 0.844 156 Q CB -0.061 28.563 28.738 -0.190 0.000 0.898 156 Q HN 0.463 nan 8.270 nan 0.000 0.426 157 Q N -0.591 119.219 119.800 0.017 0.000 2.050 157 Q HA -0.217 4.123 4.340 0.001 0.000 0.202 157 Q C 1.908 177.925 176.000 0.029 0.000 0.980 157 Q CA 1.658 57.476 55.803 0.025 0.000 0.840 157 Q CB -0.283 28.487 28.738 0.054 0.000 0.898 157 Q HN 0.483 nan 8.270 nan 0.000 0.424 158 F N 0.800 120.721 119.950 -0.048 0.000 2.069 158 F HA -0.184 4.344 4.527 0.001 0.000 0.298 158 F C 2.100 177.832 175.800 -0.115 0.000 1.113 158 F CA 1.788 59.730 58.000 -0.097 0.000 1.214 158 F CB -0.696 38.234 39.000 -0.116 0.000 0.978 158 F HN 0.164 nan 8.300 nan 0.000 0.474 159 A N -0.559 122.192 122.820 -0.115 0.000 1.902 159 A HA -0.173 4.148 4.320 0.001 0.000 0.217 159 A C 2.340 179.865 177.584 -0.098 0.000 1.181 159 A CA 2.097 54.051 52.037 -0.139 0.000 0.623 159 A CB -1.285 17.751 19.000 0.060 0.000 0.818 159 A HN 0.461 nan 8.150 nan 0.000 0.443 160 S N -0.334 115.345 115.700 -0.034 0.000 2.383 160 S HA -0.117 4.354 4.470 0.001 0.000 0.227 160 S C 1.867 176.465 174.600 -0.003 0.000 1.026 160 S CA 1.169 59.453 58.200 0.140 0.000 0.981 160 S CB -0.245 63.088 63.200 0.222 0.000 0.818 160 S HN 0.586 nan 8.310 nan 0.000 0.472 161 E N 0.855 120.958 120.200 -0.162 0.000 2.106 161 E HA -0.067 4.284 4.350 0.001 0.000 0.192 161 E C 2.253 178.685 176.600 -0.280 0.000 0.984 161 E CA 0.781 57.029 56.400 -0.254 0.000 0.806 161 E CB -0.325 29.227 29.700 -0.247 0.000 0.750 161 E HN 0.329 nan 8.360 nan 0.000 0.458 162 V N 1.268 120.971 119.914 -0.351 0.000 2.358 162 V HA -0.229 3.892 4.120 0.001 0.000 0.246 162 V C 2.163 178.313 176.094 0.094 0.000 1.047 162 V CA 1.652 63.830 62.300 -0.203 0.000 1.035 162 V CB -0.606 31.017 31.823 -0.333 0.000 0.658 162 V HN 0.167 nan 8.190 nan 0.000 0.452 163 F N 1.537 121.465 119.950 -0.037 0.000 2.134 163 F HA -0.197 4.331 4.527 0.001 0.000 0.299 163 F C 2.433 178.184 175.800 -0.083 0.000 1.097 163 F CA 2.251 60.272 58.000 0.034 0.000 1.264 163 F CB -0.368 38.642 39.000 0.017 0.000 1.001 163 F HN 0.059 nan 8.300 nan 0.000 0.479 164 K N 0.364 120.477 120.400 -0.478 0.000 2.057 164 K HA -0.147 4.174 4.320 0.001 0.000 0.207 164 K C 2.181 178.477 176.600 -0.507 0.000 1.049 164 K CA 1.307 57.038 56.287 -0.926 0.000 0.931 164 K CB -0.464 31.275 32.500 -1.269 0.000 0.714 164 K HN 0.291 nan 8.250 nan 0.000 0.440 165 A N 1.002 123.685 122.820 -0.228 0.000 2.015 165 A HA -0.104 4.217 4.320 0.001 0.000 0.219 165 A C 2.015 179.624 177.584 0.043 0.000 1.163 165 A CA 1.390 53.435 52.037 0.013 0.000 0.646 165 A CB -0.434 18.712 19.000 0.243 0.000 0.806 165 A HN 0.382 nan 8.150 nan 0.000 0.448 166 M N -0.975 118.606 119.600 -0.032 0.000 2.374 166 M HA -0.053 4.428 4.480 0.001 0.000 0.264 166 M C 0.059 176.189 176.300 -0.285 0.000 1.067 166 M CA 0.482 55.691 55.300 -0.151 0.000 1.103 166 M CB -0.320 32.254 32.600 -0.042 0.000 1.402 166 M HN 0.410 nan 8.290 nan 0.000 0.444 167 N N 1.854 120.269 118.700 -0.474 0.000 2.714 167 N HA -0.159 4.582 4.740 0.001 0.000 0.253 167 N C -1.113 174.166 175.510 -0.385 0.000 1.024 167 N CA 0.769 53.456 53.050 -0.604 0.000 0.726 167 N CB -1.102 36.592 38.487 -1.321 0.000 0.908 167 N HN 0.388 nan 8.380 nan 0.000 0.542 168 I N 1.248 121.613 120.570 -0.341 0.000 2.377 168 I HA 0.371 4.542 4.170 0.001 0.000 0.293 168 I C -1.722 174.345 176.117 -0.084 0.000 0.987 168 I CA -1.707 59.514 61.300 -0.132 0.000 1.185 168 I CB 1.840 39.826 38.000 -0.024 0.000 1.341 168 I HN -0.082 nan 8.210 nan 0.000 0.455 169 P HA 0.161 nan 4.420 nan 0.000 0.282 169 P C -1.346 175.959 177.300 0.008 0.000 1.259 169 P CA -0.642 62.456 63.100 -0.003 0.000 0.826 169 P CB 1.194 32.881 31.700 -0.022 0.000 1.064 170 Q N 1.083 120.859 119.800 -0.040 0.000 2.299 170 Q HA 0.490 4.831 4.340 0.001 0.000 0.246 170 Q C -0.297 175.600 176.000 -0.171 0.000 0.935 170 Q CA -0.622 55.047 55.803 -0.223 0.000 0.887 170 Q CB 0.473 29.070 28.738 -0.236 0.000 1.223 170 Q HN 0.483 nan 8.270 nan 0.000 0.439 171 I N -1.029 119.418 120.570 -0.204 0.000 3.002 171 I HA 0.584 4.755 4.170 0.001 0.000 0.310 171 I C -0.515 175.525 176.117 -0.128 0.000 1.087 171 I CA -1.417 59.806 61.300 -0.128 0.000 1.017 171 I CB 1.857 39.799 38.000 -0.097 0.000 1.226 171 I HN 0.599 nan 8.210 nan 0.000 0.443 172 R N 2.506 122.939 120.500 -0.113 0.000 2.679 172 R HA 0.035 4.376 4.340 0.001 0.000 0.268 172 R C 0.193 176.385 176.300 -0.180 0.000 1.044 172 R CA -0.192 55.836 56.100 -0.120 0.000 1.105 172 R CB 0.321 30.555 30.300 -0.110 0.000 0.989 172 R HN 0.797 nan 8.270 nan 0.000 0.447 173 N N 3.899 122.478 118.700 -0.203 0.000 2.365 173 N HA -0.051 4.690 4.740 0.001 0.000 0.265 173 N C -1.937 173.340 175.510 -0.389 0.000 1.288 173 N CA -1.214 51.602 53.050 -0.391 0.000 0.869 173 N CB 1.003 39.337 38.487 -0.256 0.000 1.071 173 N HN 0.407 nan 8.380 nan 0.000 0.480 174 P HA -0.113 nan 4.420 nan 0.000 0.214 174 P C 0.895 178.056 177.300 -0.232 0.000 1.163 174 P CA 1.308 64.210 63.100 -0.330 0.000 0.889 174 P CB 0.150 31.641 31.700 -0.349 0.000 0.790 175 C N -1.692 117.464 119.300 -0.241 0.000 2.539 175 C HA 0.100 4.561 4.460 0.001 0.000 0.271 175 C C 1.356 176.261 174.990 -0.141 0.000 1.412 175 C CA -0.521 58.407 59.018 -0.150 0.000 1.729 175 C CB -1.836 25.837 27.740 -0.112 0.000 1.739 175 C HN 0.175 nan 8.230 nan 0.000 0.570 176 L N 2.066 123.183 121.223 -0.176 0.000 2.456 176 L HA 0.178 4.519 4.340 0.001 0.000 0.272 176 L C -1.796 174.979 176.870 -0.158 0.000 1.189 176 L CA -1.033 53.702 54.840 -0.175 0.000 0.846 176 L CB 0.301 42.239 42.059 -0.201 0.000 1.111 176 L HN 0.014 nan 8.230 nan 0.000 0.475 177 P HA 0.028 nan 4.420 nan 0.000 0.269 177 P C -0.607 176.612 177.300 -0.136 0.000 1.217 177 P CA -0.260 62.759 63.100 -0.136 0.000 0.783 177 P CB 0.416 32.029 31.700 -0.143 0.000 0.898 178 S N 0.938 116.575 115.700 -0.104 0.000 2.566 178 S HA -0.051 4.419 4.470 0.001 0.000 0.280 178 S C 1.446 175.985 174.600 -0.102 0.000 1.343 178 S CA -0.357 57.787 58.200 -0.093 0.000 1.036 178 S CB 0.088 63.246 63.200 -0.069 0.000 0.866 178 S HN 0.455 nan 8.310 nan 0.000 0.526 179 Q N 1.306 121.051 119.800 -0.092 0.000 2.156 179 Q HA -0.271 4.070 4.340 0.001 0.000 0.211 179 Q C 2.290 178.246 176.000 -0.073 0.000 0.995 179 Q CA 2.056 57.806 55.803 -0.087 0.000 0.877 179 Q CB -0.241 28.460 28.738 -0.063 0.000 0.920 179 Q HN 0.906 nan 8.270 nan 0.000 0.416 180 E N 0.570 120.736 120.200 -0.057 0.000 2.208 180 E HA -0.162 4.189 4.350 0.001 0.000 0.193 180 E C 1.127 177.700 176.600 -0.046 0.000 0.988 180 E CA 0.890 57.265 56.400 -0.043 0.000 0.828 180 E CB -0.059 29.621 29.700 -0.033 0.000 0.763 180 E HN 0.229 nan 8.360 nan 0.000 0.478 181 K N 0.029 120.392 120.400 -0.061 0.000 2.404 181 K HA 0.158 4.479 4.320 0.001 0.000 0.194 181 K C 0.319 176.872 176.600 -0.078 0.000 1.023 181 K CA -0.189 56.062 56.287 -0.060 0.000 1.094 181 K CB 0.250 32.713 32.500 -0.062 0.000 0.841 181 K HN 0.145 nan 8.250 nan 0.000 0.523 182 M N 1.785 121.324 119.600 -0.103 0.000 2.228 182 M HA 0.168 4.649 4.480 0.001 0.000 0.351 182 M C -2.171 174.107 176.300 -0.037 0.000 1.233 182 M CA -2.328 52.885 55.300 -0.144 0.000 1.129 182 M CB -0.305 32.166 32.600 -0.215 0.000 1.604 182 M HN -0.189 nan 8.290 nan 0.000 0.457 183 P HA -0.010 nan 4.420 nan 0.000 0.268 183 P C 0.686 178.022 177.300 0.060 0.000 1.208 183 P CA -0.006 63.144 63.100 0.084 0.000 0.777 183 P CB 0.439 32.231 31.700 0.154 0.000 0.875 184 E N 2.114 122.315 120.200 0.002 0.000 2.209 184 E HA -0.269 4.082 4.350 0.001 0.000 0.196 184 E C 1.590 178.021 176.600 -0.281 0.000 0.993 184 E CA 1.352 57.729 56.400 -0.038 0.000 0.819 184 E CB -0.330 29.406 29.700 0.060 0.000 0.745 184 E HN 0.483 nan 8.360 nan 0.000 0.477 185 A N 0.229 122.714 122.820 -0.559 0.000 1.978 185 A HA -0.179 4.142 4.320 0.001 0.000 0.220 185 A C 1.547 178.687 177.584 -0.741 0.000 1.170 185 A CA 1.272 52.547 52.037 -1.271 0.000 0.636 185 A CB -0.822 17.599 19.000 -0.964 0.000 0.810 185 A HN 0.476 nan 8.150 nan 0.000 0.448 186 Y N 0.685 120.752 120.300 -0.388 0.000 2.578 186 Y HA -0.041 4.509 4.550 0.001 0.000 0.297 186 Y C 2.453 178.283 175.900 -0.117 0.000 1.176 186 Y CA 0.945 58.804 58.100 -0.402 0.000 1.315 186 Y CB -0.015 38.144 38.460 -0.501 0.000 1.031 186 Y HN 0.444 nan 8.280 nan 0.000 0.524 187 S N -0.929 114.770 115.700 -0.001 0.000 2.556 187 S HA 0.388 4.859 4.470 0.001 0.000 0.216 187 S C 0.988 175.633 174.600 0.075 0.000 0.970 187 S CA -0.233 57.997 58.200 0.049 0.000 0.912 187 S CB -0.313 62.903 63.200 0.026 0.000 0.790 187 S HN 0.198 nan 8.310 nan 0.000 0.504 188 A N 2.279 125.142 122.820 0.072 0.000 2.567 188 A HA 0.221 4.542 4.320 0.001 0.000 0.240 188 A C 0.296 177.967 177.584 0.144 0.000 1.053 188 A CA -0.057 52.066 52.037 0.143 0.000 0.755 188 A CB -0.107 18.992 19.000 0.164 0.000 0.978 188 A HN 0.547 nan 8.150 nan 0.000 0.507 189 K N 2.064 122.516 120.400 0.087 0.000 2.412 189 K HA 0.305 4.626 4.320 0.001 0.000 0.284 189 K C -0.728 176.010 176.600 0.229 0.000 1.046 189 K CA 0.682 56.986 56.287 0.028 0.000 0.999 189 K CB 0.307 32.609 32.500 -0.330 0.000 0.941 189 K HN 0.596 nan 8.250 nan 0.000 0.474 190 I N 2.264 123.017 120.570 0.306 0.000 2.474 190 I HA 0.391 4.562 4.170 0.001 0.000 0.294 190 I C -0.383 176.009 176.117 0.458 0.000 1.005 190 I CA -0.799 60.712 61.300 0.352 0.000 1.113 190 I CB 2.009 40.098 38.000 0.148 0.000 1.289 190 I HN 0.581 nan 8.210 nan 0.000 0.436 191 A N 6.957 130.040 122.820 0.438 0.000 2.355 191 A HA 0.920 5.241 4.320 0.001 0.000 0.317 191 A C -1.237 176.510 177.584 0.272 0.000 1.094 191 A CA -0.428 51.816 52.037 0.345 0.000 0.764 191 A CB 1.208 20.271 19.000 0.105 0.000 1.230 191 A HN 0.561 nan 8.150 nan 0.000 0.448 192 L N 2.273 123.658 121.223 0.270 0.000 2.386 192 L HA 0.524 4.865 4.340 0.001 0.000 0.271 192 L C -0.828 176.200 176.870 0.264 0.000 0.993 192 L CA -0.352 54.655 54.840 0.278 0.000 0.819 192 L CB 1.907 44.114 42.059 0.248 0.000 1.294 192 L HN 0.474 nan 8.230 nan 0.000 0.414 193 L N 2.823 124.166 121.223 0.200 0.000 2.287 193 L HA 0.789 5.130 4.340 0.001 0.000 0.287 193 L C 0.465 177.406 176.870 0.118 0.000 1.022 193 L CA -0.212 54.715 54.840 0.145 0.000 0.814 193 L CB 0.578 42.664 42.059 0.045 0.000 1.217 193 L HN 0.773 nan 8.230 nan 0.000 0.420 194 G N 3.000 111.869 108.800 0.115 0.000 3.190 194 G HA2 0.081 4.042 3.960 0.001 0.000 0.686 194 G HA3 0.081 4.042 3.960 0.001 0.000 0.686 194 G C -0.118 174.845 174.900 0.105 0.000 1.033 194 G CA -0.331 44.824 45.100 0.091 0.000 0.797 194 G HN 0.988 nan 8.290 nan 0.000 0.567 195 A N 1.939 124.807 122.820 0.079 0.000 3.282 195 A HA 0.774 5.094 4.320 0.001 0.000 0.287 195 A C 1.256 178.896 177.584 0.092 0.000 1.366 195 A CA 1.074 53.157 52.037 0.077 0.000 1.069 195 A CB -0.256 18.776 19.000 0.053 0.000 1.109 195 A HN 2.103 nan 8.150 nan 0.000 0.638 196 G N -0.311 108.553 108.800 0.106 0.000 2.642 196 G HA2 0.511 4.472 3.960 0.001 0.000 0.291 196 G HA3 0.511 4.472 3.960 0.001 0.000 0.291 196 G C -1.653 173.305 174.900 0.097 0.000 1.345 196 G CA -1.463 43.699 45.100 0.104 0.000 1.043 196 G HN 0.092 nan 8.290 nan 0.000 0.528 197 P HA -0.159 nan 4.420 nan 0.000 0.216 197 P C 2.107 179.460 177.300 0.087 0.000 1.154 197 P CA 2.441 65.582 63.100 0.069 0.000 0.865 197 P CB 0.141 31.876 31.700 0.058 0.000 0.789 198 A N -0.861 122.043 122.820 0.139 0.000 1.858 198 A HA -0.194 4.127 4.320 0.001 0.000 0.216 198 A C 2.379 180.053 177.584 0.150 0.000 1.190 198 A CA 2.410 54.573 52.037 0.210 0.000 0.617 198 A CB -1.527 17.691 19.000 0.365 0.000 0.827 198 A HN 0.139 nan 8.150 nan 0.000 0.443 199 S N -0.340 115.505 115.700 0.241 0.000 2.387 199 S HA -0.038 4.433 4.470 0.001 0.000 0.226 199 S C 1.788 176.391 174.600 0.005 0.000 1.026 199 S CA 1.243 59.524 58.200 0.134 0.000 0.972 199 S CB -0.465 62.884 63.200 0.248 0.000 0.814 199 S HN 0.511 nan 8.310 nan 0.000 0.477 200 I N 1.026 121.616 120.570 0.034 0.000 2.226 200 I HA -0.181 3.989 4.170 0.001 0.000 0.245 200 I C 2.673 178.782 176.117 -0.013 0.000 1.100 200 I CA 1.106 62.410 61.300 0.007 0.000 1.374 200 I CB -0.361 37.648 38.000 0.014 0.000 1.057 200 I HN 0.296 nan 8.210 nan 0.000 0.413 201 S N -0.184 115.520 115.700 0.008 0.000 2.345 201 S HA -0.246 4.225 4.470 0.001 0.000 0.220 201 S C 2.323 176.987 174.600 0.107 0.000 1.031 201 S CA 1.654 59.897 58.200 0.073 0.000 0.996 201 S CB -0.571 62.704 63.200 0.124 0.000 0.882 201 S HN 0.618 nan 8.310 nan 0.000 0.445 202 C N 1.634 120.873 119.300 -0.101 0.000 2.413 202 C HA 0.037 4.498 4.460 0.001 0.000 0.276 202 C C 3.012 177.941 174.990 -0.101 0.000 1.236 202 C CA 1.270 60.146 59.018 -0.237 0.000 1.735 202 C CB -1.770 25.453 27.740 -0.862 0.000 2.031 202 C HN 0.685 nan 8.230 nan 0.000 0.474 203 A N -0.184 122.577 122.820 -0.098 0.000 1.902 203 A HA -0.120 4.201 4.320 0.001 0.000 0.217 203 A C 2.358 179.935 177.584 -0.011 0.000 1.181 203 A CA 2.395 54.410 52.037 -0.038 0.000 0.623 203 A CB -0.977 18.009 19.000 -0.024 0.000 0.818 203 A HN 0.657 nan 8.150 nan 0.000 0.443 204 S N -0.765 114.910 115.700 -0.041 0.000 2.356 204 S HA -0.117 4.354 4.470 0.001 0.000 0.223 204 S C 1.609 176.130 174.600 -0.131 0.000 1.032 204 S CA 1.587 59.720 58.200 -0.112 0.000 1.005 204 S CB -0.538 62.533 63.200 -0.215 0.000 0.867 204 S HN 0.543 nan 8.310 nan 0.000 0.449 205 F N 1.524 121.482 119.950 0.012 0.000 2.186 205 F HA 0.047 4.575 4.527 0.001 0.000 0.299 205 F C 1.996 177.827 175.800 0.051 0.000 1.090 205 F CA 0.637 58.658 58.000 0.035 0.000 1.307 205 F CB -0.538 38.472 39.000 0.017 0.000 1.019 205 F HN 0.116 nan 8.300 nan 0.000 0.489 206 L N -0.737 120.598 121.223 0.186 0.000 2.056 206 L HA -0.190 4.150 4.340 0.001 0.000 0.207 206 L C 2.694 179.720 176.870 0.259 0.000 1.078 206 L CA 1.116 56.064 54.840 0.180 0.000 0.749 206 L CB -0.966 41.105 42.059 0.020 0.000 0.901 206 L HN 0.128 nan 8.230 nan 0.000 0.433 207 A N 0.079 122.985 122.820 0.144 0.000 1.933 207 A HA -0.192 4.129 4.320 0.001 0.000 0.218 207 A C 2.362 179.989 177.584 0.072 0.000 1.175 207 A CA 1.316 53.417 52.037 0.107 0.000 0.628 207 A CB -0.439 18.585 19.000 0.040 0.000 0.814 207 A HN 0.320 nan 8.150 nan 0.000 0.444 208 R N -0.595 119.944 120.500 0.064 0.000 2.096 208 R HA -0.027 4.314 4.340 0.001 0.000 0.235 208 R C 1.764 178.098 176.300 0.057 0.000 1.127 208 R CA 1.321 57.454 56.100 0.054 0.000 0.968 208 R CB -0.488 29.863 30.300 0.085 0.000 0.861 208 R HN 0.494 nan 8.270 nan 0.000 0.440 209 L N -0.687 120.600 121.223 0.106 0.000 2.465 209 L HA 0.001 4.342 4.340 0.001 0.000 0.224 209 L C 1.375 178.201 176.870 -0.072 0.000 1.145 209 L CA 0.937 55.807 54.840 0.050 0.000 0.834 209 L CB 0.018 42.126 42.059 0.081 0.000 0.944 209 L HN 0.563 nan 8.230 nan 0.000 0.451 210 G N -2.267 106.496 108.800 -0.061 0.000 2.211 210 G HA2 -0.255 3.706 3.960 0.001 0.000 0.201 210 G HA3 -0.255 3.706 3.960 0.001 0.000 0.201 210 G C -0.044 174.788 174.900 -0.113 0.000 0.997 210 G CA -0.686 44.279 45.100 -0.225 0.000 0.652 210 G HN 0.143 nan 8.290 nan 0.000 0.500 211 Y N 2.142 122.558 120.300 0.193 0.000 2.544 211 Y HA 0.335 4.886 4.550 0.001 0.000 0.330 211 Y C 1.841 177.788 175.900 0.079 0.000 1.136 211 Y CA 0.875 59.076 58.100 0.168 0.000 1.417 211 Y CB 1.221 39.752 38.460 0.118 0.000 1.229 211 Y HN 0.259 nan 8.280 nan 0.000 0.532 212 S N -0.543 115.256 115.700 0.165 0.000 2.540 212 S HA 0.079 4.550 4.470 0.001 0.000 0.218 212 S C 0.055 174.711 174.600 0.093 0.000 0.977 212 S CA -0.168 58.087 58.200 0.091 0.000 0.918 212 S CB 0.244 63.468 63.200 0.041 0.000 0.806 212 S HN 0.651 nan 8.310 nan 0.000 0.496 213 D N 1.408 121.887 120.400 0.131 0.000 2.443 213 D HA 0.420 5.061 4.640 0.001 0.000 0.281 213 D C -1.183 175.196 176.300 0.131 0.000 1.210 213 D CA -0.298 53.765 54.000 0.105 0.000 0.875 213 D CB 0.209 41.061 40.800 0.086 0.000 1.125 213 D HN 0.341 nan 8.370 nan 0.000 0.503 214 I N 1.296 121.931 120.570 0.107 0.000 2.406 214 I HA 0.335 4.506 4.170 0.001 0.000 0.290 214 I C -0.080 176.065 176.117 0.047 0.000 0.999 214 I CA -0.413 60.947 61.300 0.100 0.000 1.124 214 I CB 2.215 40.262 38.000 0.077 0.000 1.289 214 I HN -0.061 nan 8.210 nan 0.000 0.441 215 T N 6.746 121.325 114.554 0.041 0.000 2.841 215 T HA 0.578 4.929 4.350 0.001 0.000 0.285 215 T C -0.259 174.276 174.700 -0.274 0.000 0.991 215 T CA -0.385 61.614 62.100 -0.167 0.000 0.966 215 T CB 1.489 70.193 68.868 -0.274 0.000 0.962 215 T HN 0.258 nan 8.240 nan 0.000 0.438 216 I N 3.338 123.728 120.570 -0.300 0.000 2.321 216 I HA 0.408 4.579 4.170 0.001 0.000 0.291 216 I C -0.842 175.078 176.117 -0.328 0.000 0.998 216 I CA -0.722 60.472 61.300 -0.177 0.000 1.227 216 I CB 0.875 38.844 38.000 -0.052 0.000 1.368 216 I HN 0.528 nan 8.210 nan 0.000 0.466 217 F N 4.571 124.538 119.950 0.028 0.000 2.385 217 F HA 0.352 4.880 4.527 0.001 0.000 0.360 217 F C 0.409 176.210 175.800 0.000 0.000 1.122 217 F CA -0.636 57.368 58.000 0.008 0.000 1.090 217 F CB 1.063 40.055 39.000 -0.015 0.000 1.150 217 F HN 0.388 nan 8.300 nan 0.000 0.472 218 E N 3.425 123.695 120.200 0.115 0.000 2.171 218 E HA 0.236 4.587 4.350 0.001 0.000 0.271 218 E C 0.710 177.316 176.600 0.010 0.000 0.916 218 E CA -0.595 55.830 56.400 0.042 0.000 0.774 218 E CB 1.527 31.223 29.700 -0.008 0.000 1.128 218 E HN 0.532 nan 8.360 nan 0.000 0.403 219 K N 3.043 123.433 120.400 -0.018 0.000 2.026 219 K HA -0.099 4.222 4.320 0.001 0.000 0.208 219 K C 0.368 176.903 176.600 -0.107 0.000 1.048 219 K CA 1.066 57.328 56.287 -0.042 0.000 0.929 219 K CB 0.135 32.613 32.500 -0.037 0.000 0.713 219 K HN 0.554 nan 8.250 nan 0.000 0.439 220 Q N 0.516 120.179 119.800 -0.229 0.000 2.414 220 Q HA 0.016 4.357 4.340 0.001 0.000 0.206 220 Q C 1.032 176.836 176.000 -0.326 0.000 1.058 220 Q CA 0.215 55.776 55.803 -0.402 0.000 1.025 220 Q CB 0.658 28.799 28.738 -0.996 0.000 1.196 220 Q HN 0.247 nan 8.270 nan 0.000 0.586 221 E N 0.318 120.334 120.200 -0.306 0.000 2.385 221 E HA -0.013 4.337 4.350 0.001 0.000 0.194 221 E C 0.138 176.704 176.600 -0.057 0.000 1.013 221 E CA 0.366 56.695 56.400 -0.117 0.000 0.866 221 E CB 0.132 29.816 29.700 -0.027 0.000 0.832 221 E HN 0.468 nan 8.360 nan 0.000 0.500 222 Y N -0.457 119.844 120.300 0.002 0.000 2.567 222 Y HA 0.545 5.096 4.550 0.001 0.000 0.333 222 Y C 0.135 176.062 175.900 0.045 0.000 1.106 222 Y CA -1.895 56.214 58.100 0.014 0.000 1.157 222 Y CB 0.585 39.026 38.460 -0.032 0.000 1.277 222 Y HN -0.260 nan 8.280 nan 0.000 0.490 223 V N -1.872 118.232 119.914 0.316 0.000 3.019 223 V HA 0.966 5.087 4.120 0.001 0.000 0.317 223 V C 0.487 176.751 176.094 0.284 0.000 1.094 223 V CA -0.440 61.993 62.300 0.221 0.000 1.000 223 V CB 0.946 32.845 31.823 0.126 0.000 1.060 223 V HN 1.727 nan 8.190 nan 0.000 0.443 224 G N -0.582 108.334 108.800 0.193 0.000 2.231 224 G HA2 0.285 4.246 3.960 0.001 0.000 0.206 224 G HA3 0.285 4.246 3.960 0.001 0.000 0.206 224 G C 1.515 176.509 174.900 0.156 0.000 0.996 224 G CA 0.515 45.713 45.100 0.164 0.000 0.645 224 G HN 2.843 nan 8.290 nan 0.000 0.498 225 G N 0.084 109.002 108.800 0.198 0.000 2.566 225 G HA2 -0.235 3.726 3.960 0.001 0.000 0.280 225 G HA3 -0.235 3.726 3.960 0.001 0.000 0.280 225 G C 1.136 176.127 174.900 0.151 0.000 1.225 225 G CA 0.563 45.765 45.100 0.171 0.000 0.966 225 G HN 1.191 nan 8.290 nan 0.000 0.560 226 L N 0.622 121.906 121.223 0.101 0.000 2.187 226 L HA -0.094 4.247 4.340 0.001 0.000 0.213 226 L C 3.189 180.079 176.870 0.034 0.000 1.100 226 L CA 1.900 56.777 54.840 0.062 0.000 0.765 226 L CB -0.600 41.490 42.059 0.053 0.000 0.904 226 L HN 0.550 nan 8.230 nan 0.000 0.437 227 S N -0.940 114.790 115.700 0.050 0.000 2.400 227 S HA -0.170 4.301 4.470 0.001 0.000 0.232 227 S C 1.937 176.561 174.600 0.041 0.000 1.025 227 S CA 1.843 60.066 58.200 0.039 0.000 0.993 227 S CB -0.177 63.054 63.200 0.050 0.000 0.808 227 S HN 0.489 nan 8.310 nan 0.000 0.478 228 T N 1.204 115.790 114.554 0.053 0.000 2.988 228 T HA 0.020 4.371 4.350 0.001 0.000 0.240 228 T C 2.318 176.895 174.700 -0.204 0.000 1.014 228 T CA 1.042 63.148 62.100 0.009 0.000 1.155 228 T CB -0.264 68.661 68.868 0.095 0.000 0.872 228 T HN 0.581 nan 8.240 nan 0.000 0.440 229 S N 1.282 116.863 115.700 -0.198 0.000 2.428 229 S HA 0.065 4.536 4.470 0.001 0.000 0.230 229 S C 1.606 176.105 174.600 -0.170 0.000 1.014 229 S CA 0.818 58.855 58.200 -0.271 0.000 0.957 229 S CB -0.104 63.052 63.200 -0.073 0.000 0.784 229 S HN 0.542 nan 8.310 nan 0.000 0.499 230 E N -0.084 120.055 120.200 -0.103 0.000 2.502 230 E HA 0.357 4.708 4.350 0.001 0.000 0.206 230 E C -0.165 176.375 176.600 -0.100 0.000 0.821 230 E CA -0.259 56.087 56.400 -0.091 0.000 1.354 230 E CB 0.345 30.026 29.700 -0.031 0.000 1.336 230 E HN 0.399 nan 8.360 nan 0.000 0.675 231 I N 4.766 125.289 120.570 -0.078 0.000 2.668 231 I HA 0.010 4.181 4.170 0.001 0.000 0.285 231 I C -2.264 173.742 176.117 -0.185 0.000 1.168 231 I CA -1.572 59.672 61.300 -0.095 0.000 1.424 231 I CB -0.009 37.961 38.000 -0.051 0.000 1.377 231 I HN -0.195 nan 8.210 nan 0.000 0.560 232 P HA -0.063 nan 4.420 nan 0.000 0.266 232 P C 0.227 177.237 177.300 -0.483 0.000 1.195 232 P CA -0.063 62.678 63.100 -0.597 0.000 0.768 232 P CB 0.575 31.445 31.700 -1.382 0.000 0.838 233 Q N 3.184 122.794 119.800 -0.317 0.000 2.181 233 Q HA -0.173 4.168 4.340 0.001 0.000 0.205 233 Q C 1.190 177.211 176.000 0.035 0.000 0.980 233 Q CA 1.913 57.659 55.803 -0.095 0.000 0.862 233 Q CB -0.901 27.788 28.738 -0.081 0.000 0.905 233 Q HN 0.582 nan 8.270 nan 0.000 0.429 234 F N -2.036 118.047 119.950 0.221 0.000 2.802 234 F HA 0.306 4.833 4.527 0.001 0.000 0.300 234 F C 1.449 177.308 175.800 0.098 0.000 1.168 234 F CA 0.126 58.218 58.000 0.154 0.000 1.433 234 F CB -0.042 39.027 39.000 0.114 0.000 1.115 234 F HN -0.033 nan 8.300 nan 0.000 0.582 235 R N -0.296 120.233 120.500 0.047 0.000 2.350 235 R HA 0.341 4.682 4.340 0.001 0.000 0.199 235 R C -0.620 175.702 176.300 0.038 0.000 0.876 235 R CA -0.091 56.059 56.100 0.084 0.000 1.062 235 R CB 0.402 30.727 30.300 0.042 0.000 1.263 235 R HN 0.213 nan 8.270 nan 0.000 0.641 236 L N 2.607 123.823 121.223 -0.012 0.000 2.485 236 L HA 0.482 4.823 4.340 0.001 0.000 0.260 236 L C -2.890 173.990 176.870 0.017 0.000 0.998 236 L CA -2.254 52.590 54.840 0.007 0.000 0.883 236 L CB 1.640 43.697 42.059 -0.003 0.000 1.196 236 L HN -0.190 nan 8.230 nan 0.000 0.443 237 P HA 0.011 nan 4.420 nan 0.000 0.265 237 P C -0.032 177.306 177.300 0.065 0.000 1.193 237 P CA 0.164 63.296 63.100 0.053 0.000 0.765 237 P CB 0.308 32.035 31.700 0.045 0.000 0.823 238 Y N 4.519 124.798 120.300 -0.034 0.000 2.256 238 Y HA -0.273 4.278 4.550 0.001 0.000 0.288 238 Y C 1.674 177.578 175.900 0.007 0.000 1.155 238 Y CA 2.255 60.336 58.100 -0.032 0.000 1.203 238 Y CB -0.644 37.778 38.460 -0.064 0.000 0.980 238 Y HN 0.389 nan 8.280 nan 0.000 0.530 239 D N -1.066 119.271 120.400 -0.106 0.000 2.263 239 D HA -0.158 4.483 4.640 0.001 0.000 0.208 239 D C 1.992 178.226 176.300 -0.110 0.000 0.971 239 D CA 1.277 55.185 54.000 -0.153 0.000 0.867 239 D CB -0.959 39.816 40.800 -0.041 0.000 0.929 239 D HN 0.315 nan 8.370 nan 0.000 0.492 240 V N 0.385 120.263 119.914 -0.059 0.000 2.307 240 V HA -0.212 3.909 4.120 0.001 0.000 0.245 240 V C 2.753 178.879 176.094 0.054 0.000 1.045 240 V CA 1.282 63.614 62.300 0.052 0.000 1.024 240 V CB -0.323 31.531 31.823 0.052 0.000 0.651 240 V HN 0.164 nan 8.190 nan 0.000 0.449 241 V N 0.844 120.700 119.914 -0.098 0.000 2.287 241 V HA -0.315 3.806 4.120 0.001 0.000 0.248 241 V C 2.394 178.384 176.094 -0.173 0.000 1.053 241 V CA 2.477 64.703 62.300 -0.124 0.000 1.027 241 V CB -0.957 30.776 31.823 -0.150 0.000 0.646 241 V HN 0.690 nan 8.190 nan 0.000 0.447 242 N N -0.148 118.340 118.700 -0.353 0.000 2.149 242 N HA -0.230 4.511 4.740 0.001 0.000 0.188 242 N C 2.008 177.481 175.510 -0.063 0.000 1.019 242 N CA 1.907 54.811 53.050 -0.243 0.000 0.857 242 N CB -0.181 38.112 38.487 -0.323 0.000 0.997 242 N HN 0.496 nan 8.380 nan 0.000 0.426 243 F N 2.123 121.986 119.950 -0.144 0.000 2.095 243 F HA -0.102 4.426 4.527 0.001 0.000 0.298 243 F C 2.096 177.875 175.800 -0.036 0.000 1.104 243 F CA 1.551 59.496 58.000 -0.092 0.000 1.232 243 F CB -0.510 38.441 39.000 -0.082 0.000 0.987 243 F HN 0.075 nan 8.300 nan 0.000 0.475 244 E N 0.226 120.224 120.200 -0.336 0.000 2.150 244 E HA -0.167 4.184 4.350 0.001 0.000 0.193 244 E C 2.356 178.828 176.600 -0.212 0.000 0.985 244 E CA 1.141 57.324 56.400 -0.362 0.000 0.814 244 E CB -0.124 29.522 29.700 -0.090 0.000 0.752 244 E HN 0.394 nan 8.360 nan 0.000 0.466 245 I N 1.541 122.032 120.570 -0.133 0.000 2.252 245 I HA -0.189 3.981 4.170 0.001 0.000 0.245 245 I C 2.174 178.238 176.117 -0.089 0.000 1.102 245 I CA 1.199 62.451 61.300 -0.080 0.000 1.385 245 I CB -0.829 37.145 38.000 -0.044 0.000 1.064 245 I HN 0.090 nan 8.210 nan 0.000 0.414 246 E N 0.829 120.964 120.200 -0.108 0.000 2.153 246 E HA -0.133 4.218 4.350 0.001 0.000 0.194 246 E C 2.433 178.968 176.600 -0.107 0.000 0.988 246 E CA 0.762 57.110 56.400 -0.086 0.000 0.811 246 E CB -0.264 29.399 29.700 -0.062 0.000 0.746 246 E HN 0.476 nan 8.360 nan 0.000 0.466 247 L N 0.346 121.458 121.223 -0.186 0.000 2.046 247 L HA -0.136 4.205 4.340 0.001 0.000 0.208 247 L C 2.697 179.532 176.870 -0.059 0.000 1.077 247 L CA 1.093 55.852 54.840 -0.135 0.000 0.747 247 L CB -0.344 41.584 42.059 -0.217 0.000 0.896 247 L HN 0.186 nan 8.230 nan 0.000 0.432 248 M N -0.099 119.460 119.600 -0.067 0.000 2.117 248 M HA -0.236 4.245 4.480 0.001 0.000 0.262 248 M C 2.153 178.429 176.300 -0.040 0.000 1.065 248 M CA 1.781 57.055 55.300 -0.045 0.000 1.114 248 M CB -0.051 32.521 32.600 -0.046 0.000 1.361 248 M HN 0.065 nan 8.290 nan 0.000 0.408 249 K N 0.124 120.499 120.400 -0.043 0.000 2.280 249 K HA -0.149 4.172 4.320 0.001 0.000 0.202 249 K C 1.275 177.855 176.600 -0.033 0.000 1.047 249 K CA 1.230 57.497 56.287 -0.033 0.000 0.942 249 K CB -0.210 32.271 32.500 -0.031 0.000 0.739 249 K HN 0.417 nan 8.250 nan 0.000 0.457 250 D N 0.945 121.321 120.400 -0.040 0.000 2.263 250 D HA -0.120 4.521 4.640 0.001 0.000 0.208 250 D C 1.387 177.661 176.300 -0.042 0.000 0.971 250 D CA 0.959 54.934 54.000 -0.042 0.000 0.867 250 D CB 0.087 40.857 40.800 -0.050 0.000 0.929 250 D HN 0.208 nan 8.370 nan 0.000 0.492 251 L N -0.863 120.337 121.223 -0.039 0.000 2.611 251 L HA 0.205 4.546 4.340 0.001 0.000 0.229 251 L C 1.517 178.376 176.870 -0.019 0.000 1.137 251 L CA 0.302 55.121 54.840 -0.035 0.000 0.901 251 L CB 0.086 42.125 42.059 -0.033 0.000 1.098 251 L HN 0.095 nan 8.230 nan 0.000 0.456 252 G N -0.265 108.525 108.800 -0.017 0.000 2.175 252 G HA2 -0.249 3.712 3.960 0.001 0.000 0.244 252 G HA3 -0.249 3.712 3.960 0.001 0.000 0.244 252 G C 0.318 175.217 174.900 -0.001 0.000 0.982 252 G CA -0.054 45.042 45.100 -0.007 0.000 0.641 252 G HN 0.076 nan 8.290 nan 0.000 0.527 253 V N 1.524 121.435 119.914 -0.005 0.000 2.599 253 V HA 0.293 4.414 4.120 0.001 0.000 0.300 253 V C 0.851 176.932 176.094 -0.023 0.000 1.034 253 V CA 0.605 62.901 62.300 -0.008 0.000 1.115 253 V CB 1.059 32.874 31.823 -0.013 0.000 0.934 253 V HN 0.376 nan 8.190 nan 0.000 0.485 254 K N 5.453 125.832 120.400 -0.035 0.000 2.138 254 K HA 0.712 5.033 4.320 0.001 0.000 0.263 254 K C -0.883 175.654 176.600 -0.105 0.000 0.965 254 K CA -0.501 55.751 56.287 -0.059 0.000 0.868 254 K CB 1.898 34.364 32.500 -0.057 0.000 1.083 254 K HN 0.500 nan 8.250 nan 0.000 0.443 255 I N 3.738 124.251 120.570 -0.094 0.000 2.466 255 I HA 0.370 4.541 4.170 0.001 0.000 0.289 255 I C -0.696 175.357 176.117 -0.106 0.000 1.026 255 I CA -0.712 60.521 61.300 -0.110 0.000 1.078 255 I CB 1.553 39.523 38.000 -0.050 0.000 1.249 255 I HN 0.408 nan 8.210 nan 0.000 0.429 256 I N 5.405 125.882 120.570 -0.154 0.000 2.382 256 I HA 0.346 4.517 4.170 0.001 0.000 0.285 256 I C -0.272 175.849 176.117 0.006 0.000 1.007 256 I CA -0.373 60.889 61.300 -0.063 0.000 1.142 256 I CB 1.474 39.441 38.000 -0.055 0.000 1.289 256 I HN 0.562 nan 8.210 nan 0.000 0.453 257 C N 3.566 122.873 119.300 0.012 0.000 2.422 257 C HA 0.638 5.098 4.460 0.001 0.000 0.364 257 C C 1.477 176.481 174.990 0.023 0.000 1.251 257 C CA 0.404 59.425 59.018 0.005 0.000 2.441 257 C CB 0.734 28.462 27.740 -0.021 0.000 2.393 257 C HN 1.098 nan 8.230 nan 0.000 0.606 258 G N 1.463 110.263 108.800 0.000 0.000 2.147 258 G HA2 -0.160 3.801 3.960 0.001 0.000 0.244 258 G HA3 -0.160 3.801 3.960 0.001 0.000 0.244 258 G C -0.405 174.517 174.900 0.036 0.000 1.005 258 G CA -0.039 45.065 45.100 0.007 0.000 0.713 258 G HN 0.598 nan 8.290 nan 0.000 0.515 259 K N 0.631 121.070 120.400 0.066 0.000 2.463 259 K HA 0.659 4.980 4.320 0.001 0.000 0.255 259 K C -0.511 176.122 176.600 0.055 0.000 0.942 259 K CA -0.457 55.881 56.287 0.086 0.000 0.814 259 K CB 1.900 34.533 32.500 0.223 0.000 1.122 259 K HN 0.128 nan 8.250 nan 0.000 0.425 260 S N 1.770 117.475 115.700 0.007 0.000 2.537 260 S HA 0.405 4.875 4.470 0.001 0.000 0.301 260 S C -0.620 173.959 174.600 -0.035 0.000 1.092 260 S CA -0.802 57.395 58.200 -0.005 0.000 1.048 260 S CB 1.456 64.652 63.200 -0.007 0.000 1.053 260 S HN 0.484 nan 8.310 nan 0.000 0.501 261 L N 3.303 124.508 121.223 -0.029 0.000 2.342 261 L HA 0.662 5.003 4.340 0.001 0.000 0.285 261 L C -0.177 176.677 176.870 -0.027 0.000 1.095 261 L CA 0.840 55.652 54.840 -0.046 0.000 0.843 261 L CB -0.034 42.003 42.059 -0.035 0.000 1.201 261 L HN 0.607 nan 8.230 nan 0.000 0.445 262 S N 2.820 118.501 115.700 -0.031 0.000 2.565 262 S HA 0.340 4.811 4.470 0.001 0.000 0.274 262 S C -1.187 173.400 174.600 -0.020 0.000 1.144 262 S CA -0.796 57.393 58.200 -0.018 0.000 0.849 262 S CB 1.043 64.235 63.200 -0.013 0.000 1.103 262 S HN 0.673 nan 8.310 nan 0.000 0.455 263 E N 2.038 122.229 120.200 -0.015 0.000 2.452 263 E HA 0.275 4.626 4.350 0.001 0.000 0.261 263 E C 0.861 177.453 176.600 -0.013 0.000 0.987 263 E CA 1.527 57.919 56.400 -0.013 0.000 0.926 263 E CB 0.184 29.876 29.700 -0.013 0.000 0.934 263 E HN 0.700 nan 8.360 nan 0.000 0.452 264 N N 1.534 120.227 118.700 -0.012 0.000 2.962 264 N HA -0.198 4.543 4.740 0.001 0.000 0.206 264 N C -0.470 175.030 175.510 -0.015 0.000 0.907 264 N CA 2.023 55.066 53.050 -0.010 0.000 1.029 264 N CB -0.794 37.689 38.487 -0.007 0.000 1.009 264 N HN 0.654 nan 8.380 nan 0.000 0.587 265 E N -0.431 119.755 120.200 -0.024 0.000 4.266 265 E HA 0.458 4.809 4.350 0.001 0.000 0.262 265 E C -0.047 176.516 176.600 -0.062 0.000 0.941 265 E CA -0.652 55.726 56.400 -0.037 0.000 1.317 265 E CB 0.477 30.157 29.700 -0.034 0.000 2.138 265 E HN 0.112 nan 8.360 nan 0.000 0.463 266 I N 2.326 122.838 120.570 -0.097 0.000 2.395 266 I HA 0.179 4.350 4.170 0.001 0.000 0.289 266 I C 0.093 176.149 176.117 -0.103 0.000 1.023 266 I CA -0.098 61.110 61.300 -0.154 0.000 1.350 266 I CB 1.053 38.883 38.000 -0.283 0.000 1.409 266 I HN 0.446 nan 8.210 nan 0.000 0.507 267 T N 2.663 117.172 114.554 -0.075 0.000 2.865 267 T HA 0.470 4.821 4.350 0.001 0.000 0.294 267 T C 0.860 175.567 174.700 0.012 0.000 1.119 267 T CA -0.901 61.183 62.100 -0.027 0.000 1.007 267 T CB 1.432 70.300 68.868 0.000 0.000 1.225 267 T HN 0.400 nan 8.240 nan 0.000 0.515 268 L N 0.762 122.016 121.223 0.052 0.000 2.131 268 L HA -0.081 4.260 4.340 0.001 0.000 0.210 268 L C 2.517 179.574 176.870 0.311 0.000 1.092 268 L CA 1.107 56.052 54.840 0.175 0.000 0.759 268 L CB -0.632 41.483 42.059 0.093 0.000 0.903 268 L HN 0.657 nan 8.230 nan 0.000 0.435 269 N N -0.286 118.519 118.700 0.174 0.000 2.142 269 N HA -0.143 4.598 4.740 0.001 0.000 0.186 269 N C 2.002 177.567 175.510 0.092 0.000 1.023 269 N CA 2.031 55.161 53.050 0.133 0.000 0.852 269 N CB -0.451 38.084 38.487 0.081 0.000 0.998 269 N HN 0.446 nan 8.380 nan 0.000 0.424 270 T N -0.597 113.995 114.554 0.063 0.000 2.821 270 T HA 0.024 4.374 4.350 0.001 0.000 0.267 270 T C 2.198 176.941 174.700 0.072 0.000 1.046 270 T CA 0.584 62.708 62.100 0.040 0.000 1.139 270 T CB -0.491 68.374 68.868 -0.004 0.000 0.871 270 T HN 0.062 nan 8.240 nan 0.000 0.454 271 L N 0.664 121.938 121.223 0.086 0.000 2.027 271 L HA 0.001 4.341 4.340 0.001 0.000 0.206 271 L C 3.019 180.046 176.870 0.261 0.000 1.074 271 L CA 1.738 56.664 54.840 0.143 0.000 0.745 271 L CB -0.516 41.601 42.059 0.097 0.000 0.898 271 L HN 0.281 nan 8.230 nan 0.000 0.433 272 K N 0.387 120.856 120.400 0.116 0.000 2.057 272 K HA -0.265 4.055 4.320 0.001 0.000 0.207 272 K C 2.068 178.634 176.600 -0.057 0.000 1.049 272 K CA 1.683 57.863 56.287 -0.178 0.000 0.931 272 K CB 0.026 32.315 32.500 -0.351 0.000 0.714 272 K HN 0.068 nan 8.250 nan 0.000 0.440 273 E N 1.320 121.527 120.200 0.011 0.000 2.118 273 E HA -0.190 4.160 4.350 0.001 0.000 0.195 273 E C 1.070 177.695 176.600 0.042 0.000 0.992 273 E CA 1.712 58.122 56.400 0.016 0.000 0.804 273 E CB 0.002 29.719 29.700 0.029 0.000 0.741 273 E HN 0.417 nan 8.360 nan 0.000 0.458 274 E N -1.382 118.886 120.200 0.113 0.000 2.502 274 E HA 0.114 4.465 4.350 0.001 0.000 0.194 274 E C 0.709 177.342 176.600 0.055 0.000 1.062 274 E CA 0.378 56.859 56.400 0.136 0.000 0.867 274 E CB 0.122 29.994 29.700 0.286 0.000 0.888 274 E HN 0.462 nan 8.360 nan 0.000 0.510 275 G N 0.699 109.520 108.800 0.034 0.000 2.159 275 G HA2 -0.273 3.688 3.960 0.001 0.000 0.227 275 G HA3 -0.273 3.688 3.960 0.001 0.000 0.227 275 G C -0.234 174.623 174.900 -0.072 0.000 0.986 275 G CA -0.398 44.670 45.100 -0.053 0.000 0.651 275 G HN 0.216 nan 8.290 nan 0.000 0.523 276 Y N 0.987 121.321 120.300 0.055 0.000 2.511 276 Y HA 0.393 4.944 4.550 0.001 0.000 0.332 276 Y C 1.772 177.740 175.900 0.113 0.000 1.177 276 Y CA 0.240 58.426 58.100 0.143 0.000 1.422 276 Y CB 0.833 39.442 38.460 0.248 0.000 1.271 276 Y HN -0.076 nan 8.280 nan 0.000 0.550 277 K N 1.980 122.568 120.400 0.313 0.000 2.323 277 K HA 0.369 4.690 4.320 0.001 0.000 0.197 277 K C 0.134 177.078 176.600 0.574 0.000 1.043 277 K CA 0.535 57.015 56.287 0.320 0.000 0.997 277 K CB 0.365 33.042 32.500 0.295 0.000 0.807 277 K HN 0.598 nan 8.250 nan 0.000 0.497 278 A N 0.293 123.485 122.820 0.620 0.000 2.594 278 A HA 0.752 5.073 4.320 0.001 0.000 0.295 278 A C -1.659 176.226 177.584 0.502 0.000 1.071 278 A CA -0.431 51.986 52.037 0.633 0.000 0.685 278 A CB 1.713 20.958 19.000 0.408 0.000 1.285 278 A HN 0.055 nan 8.150 nan 0.000 0.405 279 A N 0.421 123.423 122.820 0.304 0.000 2.449 279 A HA 0.782 5.103 4.320 0.001 0.000 0.302 279 A C -1.528 176.152 177.584 0.159 0.000 1.048 279 A CA -0.375 51.752 52.037 0.150 0.000 0.708 279 A CB 1.020 19.967 19.000 -0.088 0.000 1.274 279 A HN 1.768 nan 8.150 nan 0.000 0.410 280 F N 3.776 123.747 119.950 0.034 0.000 2.449 280 F HA 0.633 5.161 4.527 0.001 0.000 0.342 280 F C -0.820 174.987 175.800 0.011 0.000 1.127 280 F CA -1.175 56.849 58.000 0.039 0.000 0.975 280 F CB 1.097 40.119 39.000 0.036 0.000 1.146 280 F HN 0.379 nan 8.300 nan 0.000 0.444 281 I N 5.890 126.046 120.570 -0.691 0.000 2.291 281 I HA 0.301 4.472 4.170 0.001 0.000 0.292 281 I C 0.776 176.458 176.117 -0.726 0.000 1.064 281 I CA -0.239 60.748 61.300 -0.522 0.000 1.269 281 I CB 0.455 38.222 38.000 -0.389 0.000 1.418 281 I HN 0.871 nan 8.210 nan 0.000 0.485 282 G N 6.368 114.979 108.800 -0.315 0.000 4.864 282 G HA2 0.308 4.269 3.960 0.001 0.000 0.280 282 G HA3 0.308 4.269 3.960 0.001 0.000 0.280 282 G C 0.829 175.735 174.900 0.010 0.000 1.239 282 G CA -0.191 44.852 45.100 -0.094 0.000 0.951 282 G HN 0.707 nan 8.290 nan 0.000 0.583 283 I N -2.039 118.510 120.570 -0.034 0.000 3.564 283 I HA 0.402 4.573 4.170 0.001 0.000 0.294 283 I C 1.248 177.377 176.117 0.020 0.000 1.289 283 I CA 0.290 61.594 61.300 0.007 0.000 1.325 283 I CB -0.241 37.757 38.000 -0.002 0.000 1.039 283 I HN 0.293 nan 8.210 nan 0.000 0.474 284 G N 2.685 111.493 108.800 0.013 0.000 2.575 284 G HA2 -0.272 3.688 3.960 0.001 0.000 0.267 284 G HA3 -0.272 3.688 3.960 0.001 0.000 0.267 284 G C -0.355 174.563 174.900 0.031 0.000 1.264 284 G CA 0.190 45.307 45.100 0.028 0.000 0.935 284 G HN 0.375 nan 8.290 nan 0.000 0.568 285 L N 2.243 123.494 121.223 0.047 0.000 2.387 285 L HA 0.328 4.669 4.340 0.001 0.000 0.259 285 L C -1.066 175.842 176.870 0.064 0.000 1.050 285 L CA -1.442 53.432 54.840 0.057 0.000 0.922 285 L CB 1.989 44.086 42.059 0.064 0.000 1.280 285 L HN 0.498 nan 8.230 nan 0.000 0.449 286 P HA -0.092 nan 4.420 nan 0.000 0.225 286 P C 0.101 177.441 177.300 0.067 0.000 1.148 286 P CA 0.956 64.093 63.100 0.061 0.000 0.779 286 P CB 0.588 32.318 31.700 0.050 0.000 0.780 287 E N 0.877 121.120 120.200 0.073 0.000 2.221 287 E HA 0.390 4.741 4.350 0.001 0.000 0.268 287 E C -2.505 174.151 176.600 0.095 0.000 0.933 287 E CA -2.739 53.709 56.400 0.080 0.000 0.809 287 E CB 1.489 31.234 29.700 0.076 0.000 1.190 287 E HN 0.124 nan 8.360 nan 0.000 0.406 288 P HA 0.071 nan 4.420 nan 0.000 0.278 288 P C -1.049 176.345 177.300 0.158 0.000 1.238 288 P CA -0.453 62.724 63.100 0.128 0.000 0.794 288 P CB 0.851 32.626 31.700 0.126 0.000 0.955 289 K N 1.864 122.380 120.400 0.193 0.000 2.349 289 K HA 0.235 4.556 4.320 0.001 0.000 0.288 289 K C 0.210 176.992 176.600 0.302 0.000 1.058 289 K CA -0.093 56.324 56.287 0.216 0.000 0.953 289 K CB 0.136 32.777 32.500 0.236 0.000 0.997 289 K HN 0.527 nan 8.250 nan 0.000 0.477 290 T N 0.223 114.922 114.554 0.242 0.000 2.952 290 T HA 0.324 4.675 4.350 0.001 0.000 0.286 290 T C -0.669 174.174 174.700 0.238 0.000 1.024 290 T CA -1.014 61.266 62.100 0.300 0.000 1.029 290 T CB 1.681 70.684 68.868 0.225 0.000 1.094 290 T HN 0.481 nan 8.240 nan 0.000 0.515 291 D N -0.194 120.394 120.400 0.314 0.000 2.649 291 D HA 0.231 4.872 4.640 0.001 0.000 0.249 291 D C 0.456 176.758 176.300 0.004 0.000 1.112 291 D CA -0.463 53.607 54.000 0.116 0.000 0.850 291 D CB 2.298 43.183 40.800 0.141 0.000 1.399 291 D HN 0.602 nan 8.370 nan 0.000 0.503 292 D N 2.783 123.137 120.400 -0.076 0.000 2.172 292 D HA -0.202 4.439 4.640 0.001 0.000 0.196 292 D C 1.957 178.145 176.300 -0.188 0.000 0.999 292 D CA 1.324 55.263 54.000 -0.101 0.000 0.856 292 D CB -0.037 40.704 40.800 -0.098 0.000 0.934 292 D HN 0.710 nan 8.370 nan 0.000 0.453 293 I N -3.006 117.354 120.570 -0.349 0.000 2.567 293 I HA -0.168 4.003 4.170 0.001 0.000 0.257 293 I C 1.082 176.870 176.117 -0.550 0.000 1.184 293 I CA 0.983 61.983 61.300 -0.500 0.000 1.451 293 I CB -0.581 36.989 38.000 -0.717 0.000 1.089 293 I HN -0.189 nan 8.210 nan 0.000 0.441 294 F N 2.004 121.822 119.950 -0.221 0.000 2.727 294 F HA 0.215 4.743 4.527 0.001 0.000 0.302 294 F C 1.336 176.890 175.800 -0.411 0.000 1.097 294 F CA -0.985 56.725 58.000 -0.482 0.000 1.330 294 F CB -0.719 37.822 39.000 -0.766 0.000 1.084 294 F HN 0.221 nan 8.300 nan 0.000 0.578 295 Q N 0.198 119.944 119.800 -0.089 0.000 2.315 295 Q HA 0.361 4.702 4.340 0.001 0.000 0.289 295 Q C 1.219 177.178 176.000 -0.069 0.000 1.044 295 Q CA 0.827 56.597 55.803 -0.054 0.000 0.920 295 Q CB 0.714 29.430 28.738 -0.036 0.000 1.214 295 Q HN 0.433 nan 8.270 nan 0.000 0.392 296 G N 2.369 111.145 108.800 -0.039 0.000 2.284 296 G HA2 -0.287 3.674 3.960 0.001 0.000 0.247 296 G HA3 -0.287 3.674 3.960 0.001 0.000 0.247 296 G C 0.128 175.008 174.900 -0.034 0.000 1.012 296 G CA 0.092 45.174 45.100 -0.030 0.000 0.618 296 G HN 0.596 nan 8.290 nan 0.000 0.521 297 L N 2.379 123.550 121.223 -0.087 0.000 2.490 297 L HA 0.462 4.803 4.340 0.001 0.000 0.274 297 L C 1.376 178.280 176.870 0.058 0.000 1.201 297 L CA 0.693 55.493 54.840 -0.068 0.000 0.869 297 L CB 0.633 42.531 42.059 -0.269 0.000 1.123 297 L HN 0.510 nan 8.230 nan 0.000 0.484 298 T N -1.169 113.415 114.554 0.050 0.000 2.949 298 T HA 0.262 4.613 4.350 0.001 0.000 0.287 298 T C 0.564 175.227 174.700 -0.062 0.000 1.034 298 T CA -0.819 61.291 62.100 0.018 0.000 1.018 298 T CB 1.734 70.597 68.868 -0.009 0.000 1.135 298 T HN 0.585 nan 8.240 nan 0.000 0.532 299 Q N -0.128 119.553 119.800 -0.199 0.000 2.167 299 Q HA -0.107 4.234 4.340 0.001 0.000 0.202 299 Q C 1.481 177.336 176.000 -0.241 0.000 0.970 299 Q CA 1.477 56.991 55.803 -0.481 0.000 0.855 299 Q CB -0.072 28.354 28.738 -0.520 0.000 0.911 299 Q HN 0.661 nan 8.270 nan 0.000 0.438 300 D N 0.522 120.860 120.400 -0.103 0.000 2.178 300 D HA -0.152 4.489 4.640 0.001 0.000 0.201 300 D C 1.555 177.846 176.300 -0.015 0.000 0.980 300 D CA 1.105 55.084 54.000 -0.035 0.000 0.842 300 D CB 0.018 40.810 40.800 -0.014 0.000 0.948 300 D HN 0.357 nan 8.370 nan 0.000 0.472 301 Q N -0.797 118.993 119.800 -0.018 0.000 2.378 301 Q HA 0.141 4.482 4.340 0.001 0.000 0.205 301 Q C 1.137 177.154 176.000 0.028 0.000 0.954 301 Q CA 0.798 56.608 55.803 0.011 0.000 0.901 301 Q CB 0.628 29.378 28.738 0.020 0.000 0.981 301 Q HN 0.333 nan 8.270 nan 0.000 0.483 302 G N 0.414 109.213 108.800 -0.000 0.000 2.175 302 G HA2 -0.232 3.729 3.960 0.001 0.000 0.182 302 G HA3 -0.232 3.729 3.960 0.001 0.000 0.182 302 G C -0.523 174.415 174.900 0.063 0.000 1.003 302 G CA -0.496 44.634 45.100 0.051 0.000 0.666 302 G HN 0.271 nan 8.290 nan 0.000 0.506 303 F N 1.734 121.567 119.950 -0.194 0.000 2.420 303 F HA 0.812 5.340 4.527 0.001 0.000 0.342 303 F C -0.482 175.122 175.800 -0.326 0.000 1.113 303 F CA -1.418 56.470 58.000 -0.186 0.000 1.059 303 F CB 0.895 39.802 39.000 -0.156 0.000 1.128 303 F HN 0.048 nan 8.300 nan 0.000 0.475 304 Y N 1.790 121.374 120.300 -1.192 0.000 2.553 304 Y HA 0.472 5.023 4.550 0.001 0.000 0.347 304 Y C 0.087 175.350 175.900 -1.063 0.000 1.019 304 Y CA -1.077 56.525 58.100 -0.830 0.000 1.032 304 Y CB 2.022 40.234 38.460 -0.413 0.000 1.284 304 Y HN 0.661 nan 8.280 nan 0.000 0.466 305 T N -2.874 111.460 114.554 -0.367 0.000 2.944 305 T HA 0.303 4.654 4.350 0.001 0.000 0.284 305 T C 1.058 175.718 174.700 -0.065 0.000 1.010 305 T CA -0.114 61.849 62.100 -0.228 0.000 1.025 305 T CB 1.451 70.308 68.868 -0.019 0.000 1.079 305 T HN 0.724 nan 8.240 nan 0.000 0.516 306 S N 0.794 116.469 115.700 -0.042 0.000 2.400 306 S HA -0.134 4.337 4.470 0.001 0.000 0.232 306 S C 1.735 176.378 174.600 0.072 0.000 1.025 306 S CA 0.456 58.679 58.200 0.038 0.000 0.993 306 S CB -0.554 62.660 63.200 0.022 0.000 0.808 306 S HN 0.655 nan 8.310 nan 0.000 0.478 307 K N 1.262 121.698 120.400 0.061 0.000 2.283 307 K HA -0.011 4.310 4.320 0.001 0.000 0.202 307 K C 1.230 177.876 176.600 0.077 0.000 1.048 307 K CA 1.140 57.467 56.287 0.068 0.000 0.948 307 K CB -0.325 32.220 32.500 0.074 0.000 0.742 307 K HN 0.581 nan 8.250 nan 0.000 0.458 308 D N -0.421 120.042 120.400 0.105 0.000 2.290 308 D HA -0.071 4.569 4.640 0.001 0.000 0.224 308 D C 1.770 178.184 176.300 0.191 0.000 0.967 308 D CA 0.417 54.506 54.000 0.148 0.000 0.893 308 D CB -0.322 40.587 40.800 0.181 0.000 1.037 308 D HN 0.022 nan 8.370 nan 0.000 0.477 309 F N 2.297 122.265 119.950 0.030 0.000 2.051 309 F HA -0.100 4.428 4.527 0.001 0.000 0.296 309 F C 2.279 178.020 175.800 -0.098 0.000 1.122 309 F CA 1.190 59.124 58.000 -0.109 0.000 1.201 309 F CB -0.621 38.212 39.000 -0.278 0.000 0.978 309 F HN -0.179 nan 8.300 nan 0.000 0.472 310 L N 0.097 121.193 121.223 -0.211 0.000 2.042 310 L HA -0.193 4.148 4.340 0.001 0.000 0.210 310 L C -0.465 176.234 176.870 -0.285 0.000 1.076 310 L CA 1.585 56.235 54.840 -0.317 0.000 0.749 310 L CB -2.135 39.857 42.059 -0.112 0.000 0.893 310 L HN 0.151 nan 8.230 nan 0.000 0.432 311 P HA -0.147 nan 4.420 nan 0.000 0.218 311 P C 1.910 179.092 177.300 -0.197 0.000 1.149 311 P CA 1.193 64.190 63.100 -0.171 0.000 0.817 311 P CB 0.110 31.769 31.700 -0.068 0.000 0.785 312 L N -1.279 119.833 121.223 -0.184 0.000 2.046 312 L HA -0.146 4.195 4.340 0.001 0.000 0.208 312 L C 2.270 179.000 176.870 -0.233 0.000 1.077 312 L CA 1.387 56.131 54.840 -0.160 0.000 0.747 312 L CB -1.019 40.987 42.059 -0.089 0.000 0.896 312 L HN -0.121 nan 8.230 nan 0.000 0.432 313 V N -0.147 119.546 119.914 -0.368 0.000 2.358 313 V HA -0.243 3.878 4.120 0.001 0.000 0.246 313 V C 2.716 178.628 176.094 -0.302 0.000 1.047 313 V CA 1.661 63.769 62.300 -0.320 0.000 1.035 313 V CB -0.915 30.666 31.823 -0.403 0.000 0.658 313 V HN 0.461 nan 8.190 nan 0.000 0.452 314 A N -0.003 122.627 122.820 -0.317 0.000 1.877 314 A HA -0.226 4.095 4.320 0.001 0.000 0.216 314 A C 2.293 179.662 177.584 -0.359 0.000 1.186 314 A CA 1.885 53.718 52.037 -0.339 0.000 0.620 314 A CB -0.448 18.353 19.000 -0.331 0.000 0.822 314 A HN 0.521 nan 8.150 nan 0.000 0.443 315 K N -0.381 119.828 120.400 -0.317 0.000 2.209 315 K HA -0.099 4.222 4.320 0.001 0.000 0.204 315 K C 2.300 178.750 176.600 -0.250 0.000 1.048 315 K CA 1.323 57.435 56.287 -0.291 0.000 0.940 315 K CB -0.151 32.222 32.500 -0.212 0.000 0.729 315 K HN 0.476 nan 8.250 nan 0.000 0.451 316 S N 0.606 116.167 115.700 -0.231 0.000 2.406 316 S HA -0.063 4.408 4.470 0.001 0.000 0.224 316 S C 1.889 176.331 174.600 -0.264 0.000 1.030 316 S CA 1.316 59.404 58.200 -0.188 0.000 0.958 316 S CB 0.047 63.167 63.200 -0.132 0.000 0.811 316 S HN 0.367 nan 8.310 nan 0.000 0.489 317 S N -0.086 115.352 115.700 -0.437 0.000 2.517 317 S HA 0.324 4.795 4.470 0.001 0.000 0.214 317 S C 0.332 174.675 174.600 -0.428 0.000 0.991 317 S CA -0.381 57.430 58.200 -0.648 0.000 0.906 317 S CB -0.124 62.193 63.200 -1.473 0.000 0.789 317 S HN 0.339 nan 8.310 nan 0.000 0.513 318 K N 2.593 122.782 120.400 -0.351 0.000 2.354 318 K HA 0.571 4.892 4.320 0.001 0.000 0.257 318 K C -0.611 175.830 176.600 -0.265 0.000 1.062 318 K CA -0.318 55.797 56.287 -0.286 0.000 0.971 318 K CB 1.292 33.556 32.500 -0.394 0.000 1.305 318 K HN 0.319 nan 8.250 nan 0.000 0.449 319 A N 1.763 124.519 122.820 -0.107 0.000 2.522 319 A HA 0.376 4.697 4.320 0.001 0.000 0.256 319 A C 1.281 178.853 177.584 -0.020 0.000 1.086 319 A CA 0.967 52.978 52.037 -0.043 0.000 0.763 319 A CB -0.456 18.580 19.000 0.059 0.000 1.024 319 A HN 0.986 nan 8.150 nan 0.000 0.502 320 G N 1.678 110.419 108.800 -0.099 0.000 2.176 320 G HA2 -0.285 3.676 3.960 0.001 0.000 0.232 320 G HA3 -0.285 3.676 3.960 0.001 0.000 0.232 320 G C 0.749 175.538 174.900 -0.185 0.000 0.986 320 G CA 0.687 45.775 45.100 -0.020 0.000 0.643 320 G HN 0.925 nan 8.290 nan 0.000 0.522 321 M N -0.315 118.970 119.600 -0.525 0.000 2.257 321 M HA 0.327 4.808 4.480 0.001 0.000 0.260 321 M C 1.516 177.649 176.300 -0.278 0.000 1.102 321 M CA 1.336 56.237 55.300 -0.666 0.000 1.169 321 M CB 0.159 32.235 32.600 -0.874 0.000 1.323 321 M HN 0.468 nan 8.290 nan 0.000 0.447 322 C N 1.076 120.214 119.300 -0.270 0.000 2.366 322 C HA 0.680 5.141 4.460 0.001 0.000 0.345 322 C C 1.792 176.673 174.990 -0.182 0.000 1.209 322 C CA -0.240 58.684 59.018 -0.157 0.000 2.050 322 C CB 1.065 28.706 27.740 -0.165 0.000 2.359 322 C HN 0.644 nan 8.230 nan 0.000 0.527 323 A N 2.731 125.489 122.820 -0.103 0.000 2.067 323 A HA 0.071 4.392 4.320 0.001 0.000 0.219 323 A C 0.902 178.400 177.584 -0.144 0.000 1.158 323 A CA 0.988 52.962 52.037 -0.104 0.000 0.661 323 A CB -0.456 18.521 19.000 -0.038 0.000 0.801 323 A HN 0.864 nan 8.150 nan 0.000 0.452 324 C N 0.211 119.429 119.300 -0.136 0.000 2.329 324 C HA 0.607 5.068 4.460 0.001 0.000 0.329 324 C C 0.044 174.936 174.990 -0.163 0.000 1.275 324 C CA -0.928 58.035 59.018 -0.092 0.000 1.726 324 C CB -0.268 27.456 27.740 -0.027 0.000 2.291 324 C HN 0.621 nan 8.230 nan 0.000 0.514 325 H N 1.054 120.091 119.070 -0.055 0.000 2.547 325 H HA 0.552 5.109 4.556 0.001 0.000 0.362 325 H C 0.446 175.743 175.328 -0.052 0.000 1.181 325 H CA 0.577 56.586 56.048 -0.065 0.000 1.376 325 H CB 0.747 30.470 29.762 -0.066 0.000 1.488 325 H HN 0.794 nan 8.280 nan 0.000 0.583 326 S N 1.315 117.049 115.700 0.057 0.000 2.543 326 S HA 0.422 4.892 4.470 0.001 0.000 0.274 326 S C -3.138 171.469 174.600 0.011 0.000 1.149 326 S CA -1.463 56.751 58.200 0.022 0.000 0.866 326 S CB 2.146 65.341 63.200 -0.009 0.000 1.111 326 S HN 0.451 nan 8.310 nan 0.000 0.457 327 P HA 0.427 nan 4.420 nan 0.000 0.277 327 P C -0.514 176.800 177.300 0.025 0.000 1.271 327 P CA -0.752 62.365 63.100 0.029 0.000 0.795 327 P CB 0.587 32.310 31.700 0.037 0.000 1.101 328 L N 0.738 121.990 121.223 0.047 0.000 2.436 328 L HA 0.261 4.602 4.340 0.001 0.000 0.265 328 L C -1.803 175.106 176.870 0.065 0.000 1.168 328 L CA -1.824 53.049 54.840 0.056 0.000 0.815 328 L CB -0.507 41.623 42.059 0.119 0.000 1.109 328 L HN 0.259 nan 8.230 nan 0.000 0.462 329 P HA -0.041 nan 4.420 nan 0.000 0.266 329 P C -0.608 176.763 177.300 0.118 0.000 1.195 329 P CA 0.019 63.185 63.100 0.111 0.000 0.768 329 P CB 0.611 32.391 31.700 0.132 0.000 0.838 330 S N 3.848 119.619 115.700 0.119 0.000 2.681 330 S HA 0.237 4.708 4.470 0.001 0.000 0.313 330 S C -0.050 174.607 174.600 0.096 0.000 1.137 330 S CA -0.543 57.714 58.200 0.096 0.000 1.045 330 S CB -1.058 62.191 63.200 0.082 0.000 1.208 330 S HN 0.150 nan 8.310 nan 0.000 0.523 331 I N 6.503 127.119 120.570 0.077 0.000 2.306 331 I HA 0.459 4.630 4.170 0.001 0.000 0.288 331 I C 0.270 176.403 176.117 0.026 0.000 1.036 331 I CA -0.409 60.915 61.300 0.040 0.000 1.221 331 I CB 0.589 38.590 38.000 0.002 0.000 1.385 331 I HN 0.426 nan 8.210 nan 0.000 0.472 332 R N 3.865 124.381 120.500 0.027 0.000 2.670 332 R HA 0.774 5.115 4.340 0.001 0.000 0.289 332 R C 0.401 176.709 176.300 0.012 0.000 0.965 332 R CA -0.386 55.725 56.100 0.018 0.000 0.899 332 R CB 2.022 32.336 30.300 0.025 0.000 1.173 332 R HN 0.861 nan 8.270 nan 0.000 0.456 333 G N 1.036 109.837 108.800 0.002 0.000 2.508 333 G HA2 -0.127 3.834 3.960 0.001 0.000 0.220 333 G HA3 -0.127 3.834 3.960 0.001 0.000 0.220 333 G C -1.004 173.901 174.900 0.009 0.000 1.287 333 G CA -0.333 44.771 45.100 0.008 0.000 0.916 333 G HN 0.781 nan 8.290 nan 0.000 0.574 334 A N -0.815 122.031 122.820 0.043 0.000 2.328 334 A HA 0.713 5.034 4.320 0.001 0.000 0.284 334 A C 0.115 177.748 177.584 0.080 0.000 1.160 334 A CA 0.215 52.309 52.037 0.095 0.000 0.818 334 A CB 1.174 20.297 19.000 0.205 0.000 1.087 334 A HN 1.798 nan 8.150 nan 0.000 0.504 335 V N 4.066 124.019 119.914 0.064 0.000 2.495 335 V HA 0.390 4.511 4.120 0.001 0.000 0.298 335 V C -0.196 175.937 176.094 0.065 0.000 1.031 335 V CA -0.275 62.026 62.300 0.001 0.000 0.871 335 V CB 1.565 33.321 31.823 -0.111 0.000 0.988 335 V HN 0.759 nan 8.190 nan 0.000 0.432 336 I N 4.681 125.265 120.570 0.023 0.000 2.362 336 I HA 0.451 4.622 4.170 0.001 0.000 0.289 336 I C -0.706 175.366 176.117 -0.075 0.000 0.994 336 I CA -0.660 60.663 61.300 0.038 0.000 1.158 336 I CB 1.925 39.979 38.000 0.091 0.000 1.315 336 I HN 0.274 nan 8.210 nan 0.000 0.451 337 V N 7.648 127.491 119.914 -0.119 0.000 2.384 337 V HA 0.393 4.514 4.120 0.001 0.000 0.287 337 V C -0.015 175.976 176.094 -0.171 0.000 1.020 337 V CA -0.572 61.610 62.300 -0.198 0.000 0.850 337 V CB 1.757 33.438 31.823 -0.237 0.000 0.987 337 V HN 0.468 nan 8.190 nan 0.000 0.436 338 L N 5.269 126.364 121.223 -0.214 0.000 2.265 338 L HA 0.919 5.260 4.340 0.001 0.000 0.289 338 L C 0.629 177.340 176.870 -0.264 0.000 1.033 338 L CA 0.023 54.757 54.840 -0.177 0.000 0.814 338 L CB 1.102 43.025 42.059 -0.227 0.000 1.203 338 L HN 0.891 nan 8.230 nan 0.000 0.423 339 G N 2.090 110.910 108.800 0.034 0.000 2.345 339 G HA2 0.369 4.329 3.960 0.001 0.000 0.310 339 G HA3 0.369 4.329 3.960 0.001 0.000 0.310 339 G C -0.764 174.255 174.900 0.198 0.000 1.476 339 G CA -0.054 45.114 45.100 0.114 0.000 0.978 339 G HN 0.604 nan 8.290 nan 0.000 0.656 340 A N -0.655 122.244 122.820 0.132 0.000 2.635 340 A HA 0.787 5.108 4.320 0.001 0.000 0.279 340 A C 0.975 178.667 177.584 0.179 0.000 1.122 340 A CA 1.299 53.347 52.037 0.019 0.000 0.965 340 A CB 0.090 18.923 19.000 -0.278 0.000 1.221 340 A HN 2.053 nan 8.150 nan 0.000 0.566 341 G N -1.101 107.819 108.800 0.201 0.000 2.753 341 G HA2 0.431 4.392 3.960 0.001 0.000 0.285 341 G HA3 0.431 4.392 3.960 0.001 0.000 0.285 341 G C -0.052 175.040 174.900 0.320 0.000 1.344 341 G CA -0.051 45.169 45.100 0.200 0.000 1.050 341 G HN -0.044 nan 8.290 nan 0.000 0.532 342 D N -0.342 120.176 120.400 0.197 0.000 2.158 342 D HA -0.115 4.526 4.640 0.001 0.000 0.197 342 D C 2.594 179.019 176.300 0.210 0.000 0.995 342 D CA 1.766 55.885 54.000 0.198 0.000 0.846 342 D CB -0.318 40.542 40.800 0.099 0.000 0.941 342 D HN 0.313 nan 8.370 nan 0.000 0.456 343 T N 0.795 115.437 114.554 0.147 0.000 2.684 343 T HA -0.164 4.187 4.350 0.001 0.000 0.267 343 T C 2.043 176.796 174.700 0.089 0.000 1.036 343 T CA 1.756 63.918 62.100 0.103 0.000 1.148 343 T CB -0.342 68.570 68.868 0.074 0.000 0.863 343 T HN 0.234 nan 8.240 nan 0.000 0.436 344 A N 0.855 123.715 122.820 0.067 0.000 1.877 344 A HA -0.007 4.314 4.320 0.001 0.000 0.216 344 A C 2.004 179.524 177.584 -0.108 0.000 1.186 344 A CA 1.406 53.402 52.037 -0.068 0.000 0.620 344 A CB -1.036 17.881 19.000 -0.138 0.000 0.822 344 A HN 0.481 nan 8.150 nan 0.000 0.443 345 F N 0.461 120.458 119.950 0.078 0.000 2.234 345 F HA -0.131 4.397 4.527 0.001 0.000 0.299 345 F C 2.035 177.904 175.800 0.115 0.000 1.087 345 F CA 1.516 59.572 58.000 0.093 0.000 1.340 345 F CB -0.229 38.837 39.000 0.109 0.000 1.031 345 F HN 0.192 nan 8.300 nan 0.000 0.500 346 D N -0.788 119.774 120.400 0.269 0.000 2.183 346 D HA -0.112 4.529 4.640 0.001 0.000 0.203 346 D C 2.322 178.758 176.300 0.227 0.000 0.969 346 D CA 0.908 55.051 54.000 0.237 0.000 0.842 346 D CB -0.519 40.365 40.800 0.141 0.000 0.957 346 D HN 0.252 nan 8.370 nan 0.000 0.484 347 C N 0.924 120.325 119.300 0.169 0.000 2.446 347 C HA 0.009 4.470 4.460 0.001 0.000 0.277 347 C C 2.878 177.953 174.990 0.140 0.000 1.275 347 C CA 0.746 59.892 59.018 0.214 0.000 1.727 347 C CB -0.849 26.923 27.740 0.053 0.000 2.010 347 C HN 0.355 nan 8.230 nan 0.000 0.486 348 A N 1.255 124.089 122.820 0.023 0.000 1.858 348 A HA -0.202 4.119 4.320 0.001 0.000 0.216 348 A C 2.296 179.900 177.584 0.033 0.000 1.190 348 A CA 2.760 54.770 52.037 -0.045 0.000 0.617 348 A CB -1.293 17.618 19.000 -0.147 0.000 0.827 348 A HN 0.667 nan 8.150 nan 0.000 0.443 349 T N -2.800 111.827 114.554 0.121 0.000 2.821 349 T HA -0.093 4.258 4.350 0.001 0.000 0.267 349 T C 1.987 176.773 174.700 0.143 0.000 1.046 349 T CA 1.769 63.924 62.100 0.092 0.000 1.139 349 T CB -0.558 68.403 68.868 0.155 0.000 0.871 349 T HN 0.263 nan 8.240 nan 0.000 0.454 350 S N 1.779 117.690 115.700 0.352 0.000 2.402 350 S HA 0.178 4.649 4.470 0.001 0.000 0.229 350 S C 2.607 177.393 174.600 0.310 0.000 1.021 350 S CA 0.779 59.208 58.200 0.382 0.000 0.974 350 S CB -0.739 62.645 63.200 0.306 0.000 0.800 350 S HN 0.755 nan 8.310 nan 0.000 0.484 351 A N 1.555 124.554 122.820 0.299 0.000 1.940 351 A HA -0.027 4.294 4.320 0.001 0.000 0.219 351 A C 2.042 179.668 177.584 0.070 0.000 1.176 351 A CA 1.099 53.244 52.037 0.181 0.000 0.631 351 A CB -0.686 18.277 19.000 -0.061 0.000 0.814 351 A HN 0.470 nan 8.150 nan 0.000 0.446 352 L N -1.575 119.657 121.223 0.014 0.000 2.093 352 L HA -0.149 4.192 4.340 0.001 0.000 0.208 352 L C 2.698 179.533 176.870 -0.059 0.000 1.085 352 L CA 1.204 56.022 54.840 -0.037 0.000 0.755 352 L CB -0.364 41.647 42.059 -0.081 0.000 0.904 352 L HN 0.213 nan 8.230 nan 0.000 0.435 353 R N -0.768 119.681 120.500 -0.084 0.000 2.189 353 R HA -0.054 4.287 4.340 0.001 0.000 0.223 353 R C 1.959 178.257 176.300 -0.003 0.000 1.092 353 R CA 0.859 56.861 56.100 -0.163 0.000 0.989 353 R CB -0.797 29.273 30.300 -0.383 0.000 0.876 353 R HN 0.328 nan 8.270 nan 0.000 0.457 354 C N -0.926 118.419 119.300 0.075 0.000 2.626 354 C HA 0.396 4.857 4.460 0.001 0.000 0.266 354 C C 1.413 176.441 174.990 0.063 0.000 1.317 354 C CA 0.418 59.500 59.018 0.106 0.000 1.716 354 C CB -0.740 27.104 27.740 0.173 0.000 1.819 354 C HN 0.722 nan 8.230 nan 0.000 0.578 355 G N 0.305 109.123 108.800 0.029 0.000 2.163 355 G HA2 -0.005 3.956 3.960 0.001 0.000 0.213 355 G HA3 -0.005 3.956 3.960 0.001 0.000 0.213 355 G C 0.162 175.063 174.900 0.002 0.000 0.991 355 G CA 0.040 45.149 45.100 0.015 0.000 0.653 355 G HN 0.870 nan 8.290 nan 0.000 0.518 356 A N 0.240 123.057 122.820 -0.004 0.000 2.540 356 A HA 0.585 4.906 4.320 0.001 0.000 0.239 356 A C 1.409 178.971 177.584 -0.037 0.000 1.061 356 A CA 1.323 53.345 52.037 -0.025 0.000 0.758 356 A CB 0.202 19.175 19.000 -0.044 0.000 0.991 356 A HN 0.805 nan 8.150 nan 0.000 0.502 357 R N 1.321 121.790 120.500 -0.052 0.000 2.093 357 R HA 0.051 4.392 4.340 0.001 0.000 0.224 357 R C 0.784 177.003 176.300 -0.135 0.000 1.101 357 R CA 1.260 57.305 56.100 -0.092 0.000 0.979 357 R CB 0.105 30.359 30.300 -0.077 0.000 0.877 357 R HN 0.774 nan 8.270 nan 0.000 0.441 358 R N -0.136 120.294 120.500 -0.116 0.000 2.604 358 R HA 0.351 4.692 4.340 0.001 0.000 0.270 358 R C -2.016 174.149 176.300 -0.224 0.000 1.052 358 R CA -0.672 55.310 56.100 -0.196 0.000 0.902 358 R CB 2.410 32.571 30.300 -0.232 0.000 1.233 358 R HN 0.003 nan 8.270 nan 0.000 0.455 359 V N 4.297 124.009 119.914 -0.337 0.000 2.588 359 V HA 0.558 4.679 4.120 0.001 0.000 0.304 359 V C -1.125 174.683 176.094 -0.477 0.000 1.042 359 V CA -0.611 61.511 62.300 -0.296 0.000 0.877 359 V CB 1.707 33.405 31.823 -0.209 0.000 0.996 359 V HN 0.568 nan 8.190 nan 0.000 0.425 360 F N 4.437 124.267 119.950 -0.199 0.000 2.444 360 F HA 0.612 5.140 4.527 0.001 0.000 0.342 360 F C -0.035 175.551 175.800 -0.356 0.000 1.121 360 F CA -0.571 57.276 58.000 -0.256 0.000 0.997 360 F CB 1.642 40.527 39.000 -0.192 0.000 1.130 360 F HN 0.191 nan 8.300 nan 0.000 0.454 361 L N 4.685 125.687 121.223 -0.369 0.000 2.265 361 L HA 0.533 4.874 4.340 0.001 0.000 0.289 361 L C -0.851 175.586 176.870 -0.722 0.000 1.033 361 L CA -0.751 53.757 54.840 -0.554 0.000 0.814 361 L CB 1.205 42.790 42.059 -0.790 0.000 1.203 361 L HN 0.325 nan 8.230 nan 0.000 0.423 362 V N 4.109 123.731 119.914 -0.487 0.000 2.370 362 V HA 0.421 4.542 4.120 0.001 0.000 0.283 362 V C -0.328 175.634 176.094 -0.220 0.000 1.023 362 V CA -0.484 61.548 62.300 -0.447 0.000 0.857 362 V CB 1.122 32.777 31.823 -0.280 0.000 0.985 362 V HN 0.317 nan 8.190 nan 0.000 0.443 363 F N 3.198 123.136 119.950 -0.020 0.000 2.450 363 F HA 0.585 5.112 4.527 0.001 0.000 0.332 363 F C 1.162 176.932 175.800 -0.050 0.000 1.093 363 F CA -1.534 56.449 58.000 -0.029 0.000 1.003 363 F CB 1.444 40.404 39.000 -0.066 0.000 1.151 363 F HN 0.424 nan 8.300 nan 0.000 0.474 364 R N 1.142 121.728 120.500 0.143 0.000 2.153 364 R HA 0.060 4.401 4.340 0.001 0.000 0.218 364 R C 0.143 176.342 176.300 -0.169 0.000 1.072 364 R CA 1.148 57.263 56.100 0.024 0.000 0.990 364 R CB 0.237 30.520 30.300 -0.028 0.000 0.889 364 R HN 0.665 nan 8.270 nan 0.000 0.452 365 K N -0.948 119.245 120.400 -0.344 0.000 2.531 365 K HA 0.398 4.719 4.320 0.001 0.000 0.265 365 K C 0.085 176.224 176.600 -0.769 0.000 1.045 365 K CA -0.585 55.296 56.287 -0.677 0.000 1.040 365 K CB 0.607 32.612 32.500 -0.825 0.000 1.436 365 K HN 0.113 nan 8.250 nan 0.000 0.571 366 G N -0.179 108.202 108.800 -0.698 0.000 2.535 366 G HA2 0.158 4.119 3.960 0.001 0.000 0.303 366 G HA3 0.158 4.119 3.960 0.001 0.000 0.303 366 G C 0.030 174.907 174.900 -0.038 0.000 1.237 366 G CA -0.359 44.382 45.100 -0.599 0.000 0.986 366 G HN 0.450 nan 8.290 nan 0.000 0.494 367 F N 0.280 120.253 119.950 0.038 0.000 2.161 367 F HA -0.164 4.364 4.527 0.001 0.000 0.300 367 F C 2.859 178.655 175.800 -0.006 0.000 1.089 367 F CA 2.088 60.129 58.000 0.068 0.000 1.282 367 F CB -0.033 39.036 39.000 0.116 0.000 1.010 367 F HN 0.143 nan 8.300 nan 0.000 0.485 368 V N -2.010 118.028 119.914 0.207 0.000 2.759 368 V HA -0.198 3.923 4.120 0.001 0.000 0.256 368 V C 1.144 177.248 176.094 0.017 0.000 1.080 368 V CA 2.088 64.457 62.300 0.115 0.000 1.101 368 V CB -1.225 30.697 31.823 0.164 0.000 0.698 368 V HN 0.312 nan 8.190 nan 0.000 0.477 369 N N 0.350 119.035 118.700 -0.024 0.000 2.322 369 N HA 0.340 5.081 4.740 0.001 0.000 0.194 369 N C 0.304 175.694 175.510 -0.201 0.000 1.126 369 N CA -0.039 52.966 53.050 -0.075 0.000 0.845 369 N CB -0.199 38.249 38.487 -0.065 0.000 0.976 369 N HN 0.489 nan 8.380 nan 0.000 0.475 370 I N 1.055 121.438 120.570 -0.312 0.000 2.845 370 I HA -0.131 4.039 4.170 0.001 0.000 0.296 370 I C 1.745 177.731 176.117 -0.219 0.000 1.216 370 I CA 0.316 61.379 61.300 -0.395 0.000 1.438 370 I CB 0.766 38.472 38.000 -0.490 0.000 1.342 370 I HN 0.201 nan 8.210 nan 0.000 0.577 371 R N 4.620 125.027 120.500 -0.154 0.000 2.100 371 R HA 0.115 4.455 4.340 0.001 0.000 0.220 371 R C 0.854 177.101 176.300 -0.088 0.000 1.091 371 R CA 0.580 56.630 56.100 -0.084 0.000 0.986 371 R CB 0.156 30.438 30.300 -0.031 0.000 0.888 371 R HN 0.811 nan 8.270 nan 0.000 0.444 372 A N 1.023 123.778 122.820 -0.109 0.000 2.425 372 A HA 0.275 4.596 4.320 0.001 0.000 0.242 372 A C 0.389 177.834 177.584 -0.232 0.000 1.077 372 A CA -0.273 51.656 52.037 -0.179 0.000 0.781 372 A CB 0.245 19.045 19.000 -0.333 0.000 1.020 372 A HN 0.214 nan 8.150 nan 0.000 0.494 373 V N -0.167 119.638 119.914 -0.181 0.000 3.096 373 V HA 0.179 4.300 4.120 0.001 0.000 0.306 373 V C -1.741 174.230 176.094 -0.206 0.000 1.088 373 V CA -0.913 61.293 62.300 -0.157 0.000 1.129 373 V CB -0.137 31.624 31.823 -0.104 0.000 1.014 373 V HN 0.730 nan 8.190 nan 0.000 0.486 374 P HA -0.132 nan 4.420 nan 0.000 0.216 374 P C 1.377 178.582 177.300 -0.158 0.000 1.150 374 P CA 1.578 64.583 63.100 -0.159 0.000 0.843 374 P CB 0.166 31.806 31.700 -0.100 0.000 0.787 375 E N -0.675 119.448 120.200 -0.128 0.000 2.110 375 E HA -0.206 4.145 4.350 0.001 0.000 0.193 375 E C 1.976 178.512 176.600 -0.108 0.000 0.988 375 E CA 1.182 57.515 56.400 -0.111 0.000 0.804 375 E CB -0.661 29.000 29.700 -0.065 0.000 0.745 375 E HN 0.334 nan 8.360 nan 0.000 0.458 376 E N 0.128 120.238 120.200 -0.149 0.000 2.046 376 E HA -0.098 4.253 4.350 0.001 0.000 0.190 376 E C 1.884 178.318 176.600 -0.277 0.000 0.982 376 E CA 0.908 57.211 56.400 -0.161 0.000 0.800 376 E CB -0.129 29.449 29.700 -0.204 0.000 0.756 376 E HN 0.069 nan 8.360 nan 0.000 0.449 377 V N 1.135 120.749 119.914 -0.500 0.000 2.392 377 V HA -0.252 3.868 4.120 0.001 0.000 0.249 377 V C 2.396 178.475 176.094 -0.025 0.000 1.059 377 V CA 2.115 64.112 62.300 -0.505 0.000 1.051 377 V CB -0.732 30.818 31.823 -0.454 0.000 0.658 377 V HN 0.338 nan 8.190 nan 0.000 0.455 378 E N 0.584 120.745 120.200 -0.065 0.000 2.118 378 E HA -0.216 4.135 4.350 0.001 0.000 0.195 378 E C 1.982 178.626 176.600 0.073 0.000 0.992 378 E CA 1.562 57.954 56.400 -0.014 0.000 0.804 378 E CB -0.431 29.188 29.700 -0.134 0.000 0.741 378 E HN 0.598 nan 8.360 nan 0.000 0.458 379 L N -0.394 120.885 121.223 0.094 0.000 2.046 379 L HA -0.141 4.200 4.340 0.001 0.000 0.208 379 L C 2.517 179.492 176.870 0.175 0.000 1.077 379 L CA 1.236 56.168 54.840 0.153 0.000 0.747 379 L CB -0.628 41.534 42.059 0.172 0.000 0.896 379 L HN 0.220 nan 8.230 nan 0.000 0.432 380 A N -0.131 122.856 122.820 0.280 0.000 1.929 380 A HA -0.197 4.123 4.320 0.001 0.000 0.216 380 A C 2.402 180.173 177.584 0.312 0.000 1.176 380 A CA 1.531 53.748 52.037 0.299 0.000 0.628 380 A CB -0.336 18.958 19.000 0.491 0.000 0.816 380 A HN 0.297 nan 8.150 nan 0.000 0.444 381 K N 0.471 121.138 120.400 0.444 0.000 2.026 381 K HA -0.216 4.104 4.320 0.001 0.000 0.208 381 K C 2.029 178.757 176.600 0.214 0.000 1.048 381 K CA 1.734 58.278 56.287 0.429 0.000 0.929 381 K CB -0.223 32.456 32.500 0.297 0.000 0.713 381 K HN 0.732 nan 8.250 nan 0.000 0.439 382 E N 0.223 120.509 120.200 0.143 0.000 2.268 382 E HA -0.183 4.168 4.350 0.001 0.000 0.195 382 E C 0.589 177.202 176.600 0.022 0.000 0.995 382 E CA 1.087 57.535 56.400 0.080 0.000 0.836 382 E CB -0.003 29.758 29.700 0.101 0.000 0.763 382 E HN 0.426 nan 8.360 nan 0.000 0.491 383 E N 0.808 121.020 120.200 0.020 0.000 2.403 383 E HA 0.035 4.386 4.350 0.001 0.000 0.188 383 E C -0.402 176.151 176.600 -0.078 0.000 1.056 383 E CA -0.197 56.164 56.400 -0.065 0.000 0.892 383 E CB 0.336 29.990 29.700 -0.077 0.000 1.049 383 E HN 0.082 nan 8.360 nan 0.000 0.465 384 K N -0.674 119.722 120.400 -0.007 0.000 3.192 384 K HA -0.158 4.163 4.320 0.001 0.000 0.278 384 K C -0.453 176.155 176.600 0.014 0.000 1.164 384 K CA 0.304 56.604 56.287 0.022 0.000 0.816 384 K CB -3.207 29.273 32.500 -0.034 0.000 1.256 384 K HN 0.254 nan 8.250 nan 0.000 0.497 385 C N 1.252 120.545 119.300 -0.012 0.000 2.644 385 C HA 0.258 4.719 4.460 0.001 0.000 0.417 385 C C 1.338 176.197 174.990 -0.217 0.000 1.304 385 C CA -0.434 58.465 59.018 -0.198 0.000 2.035 385 C CB 0.550 28.099 27.740 -0.318 0.000 2.673 385 C HN 0.325 nan 8.230 nan 0.000 0.602 386 E N 1.056 121.059 120.200 -0.328 0.000 2.216 386 E HA 0.529 4.880 4.350 0.001 0.000 0.279 386 E C -1.344 175.133 176.600 -0.204 0.000 0.997 386 E CA -0.235 56.091 56.400 -0.124 0.000 0.817 386 E CB 0.366 29.952 29.700 -0.189 0.000 1.096 386 E HN 0.377 nan 8.360 nan 0.000 0.393 387 F N 4.199 124.194 119.950 0.075 0.000 2.427 387 F HA 0.398 4.926 4.527 0.001 0.000 0.346 387 F C -0.268 175.516 175.800 -0.027 0.000 1.120 387 F CA -0.733 57.268 58.000 0.001 0.000 1.033 387 F CB 0.824 40.063 39.000 0.399 0.000 1.126 387 F HN 0.235 nan 8.300 nan 0.000 0.462 388 L N 6.280 127.422 121.223 -0.135 0.000 2.353 388 L HA 0.436 4.776 4.340 0.001 0.000 0.270 388 L C -2.442 174.352 176.870 -0.127 0.000 1.003 388 L CA -1.874 52.916 54.840 -0.083 0.000 0.862 388 L CB 1.491 43.445 42.059 -0.174 0.000 1.221 388 L HN 0.332 nan 8.230 nan 0.000 0.430 389 P HA 0.280 nan 4.420 nan 0.000 0.278 389 P C -0.154 177.291 177.300 0.242 0.000 1.266 389 P CA -0.415 62.797 63.100 0.186 0.000 0.807 389 P CB 0.753 32.636 31.700 0.305 0.000 1.094 390 F N -2.636 117.451 119.950 0.228 0.000 3.027 390 F HA -0.199 4.328 4.527 0.001 0.000 0.276 390 F C -0.106 175.776 175.800 0.137 0.000 0.967 390 F CA 0.686 58.813 58.000 0.211 0.000 0.929 390 F CB -2.015 37.126 39.000 0.234 0.000 0.873 390 F HN 0.137 nan 8.300 nan 0.000 0.787 391 L N -0.015 121.320 121.223 0.186 0.000 2.408 391 L HA 0.631 4.971 4.340 0.001 0.000 0.268 391 L C -0.033 176.988 176.870 0.251 0.000 0.986 391 L CA -0.743 54.178 54.840 0.136 0.000 0.820 391 L CB 2.343 44.286 42.059 -0.193 0.000 1.303 391 L HN 0.084 nan 8.230 nan 0.000 0.411 392 S N 4.117 120.031 115.700 0.357 0.000 2.552 392 S HA 0.599 5.070 4.470 0.001 0.000 0.314 392 S C -2.617 172.214 174.600 0.385 0.000 1.099 392 S CA -1.529 56.873 58.200 0.335 0.000 1.070 392 S CB 1.628 64.941 63.200 0.188 0.000 0.998 392 S HN 0.288 nan 8.310 nan 0.000 0.474 393 P HA 0.238 nan 4.420 nan 0.000 0.268 393 P C -0.202 176.977 177.300 -0.201 0.000 1.204 393 P CA -0.187 62.805 63.100 -0.180 0.000 0.768 393 P CB 0.726 32.400 31.700 -0.044 0.000 0.842 394 R N 1.624 121.950 120.500 -0.290 0.000 2.470 394 R HA 0.274 4.615 4.340 0.001 0.000 0.210 394 R C 0.504 176.663 176.300 -0.235 0.000 0.873 394 R CA 0.516 56.496 56.100 -0.200 0.000 1.015 394 R CB 0.570 30.812 30.300 -0.098 0.000 1.348 394 R HN 0.511 nan 8.270 nan 0.000 0.650 395 K N 0.275 120.515 120.400 -0.267 0.000 2.557 395 K HA 0.339 4.660 4.320 0.001 0.000 0.261 395 K C -1.588 174.900 176.600 -0.186 0.000 0.932 395 K CA -0.435 55.729 56.287 -0.205 0.000 0.829 395 K CB 2.544 34.973 32.500 -0.119 0.000 1.358 395 K HN -0.228 nan 8.250 nan 0.000 0.430 396 V N 5.101 124.941 119.914 -0.123 0.000 2.334 396 V HA 0.359 4.480 4.120 0.001 0.000 0.281 396 V C -0.051 176.023 176.094 -0.033 0.000 1.016 396 V CA -0.942 61.328 62.300 -0.049 0.000 0.832 396 V CB 1.137 32.981 31.823 0.035 0.000 0.999 396 V HN 0.581 nan 8.190 nan 0.000 0.439 397 I N 5.987 126.543 120.570 -0.022 0.000 2.379 397 I HA 0.271 4.442 4.170 0.001 0.000 0.290 397 I C 0.069 176.194 176.117 0.013 0.000 1.063 397 I CA 0.033 61.339 61.300 0.010 0.000 1.351 397 I CB 1.104 39.140 38.000 0.059 0.000 1.410 397 I HN 0.235 nan 8.210 nan 0.000 0.505 398 V N 7.982 127.903 119.914 0.010 0.000 2.409 398 V HA 0.430 4.551 4.120 0.001 0.000 0.291 398 V C 0.091 176.193 176.094 0.014 0.000 1.020 398 V CA -0.810 61.497 62.300 0.012 0.000 0.848 398 V CB 1.909 33.735 31.823 0.004 0.000 0.990 398 V HN 0.634 nan 8.190 nan 0.000 0.430 399 K N 2.655 123.067 120.400 0.019 0.000 2.443 399 K HA 0.604 4.925 4.320 0.001 0.000 0.252 399 K C 0.676 177.286 176.600 0.016 0.000 0.933 399 K CA -0.305 55.992 56.287 0.018 0.000 0.792 399 K CB 2.014 34.528 32.500 0.024 0.000 1.185 399 K HN 0.970 nan 8.250 nan 0.000 0.425 400 G N 1.482 110.289 108.800 0.012 0.000 2.283 400 G HA2 -0.254 3.707 3.960 0.001 0.000 0.280 400 G HA3 -0.254 3.707 3.960 0.001 0.000 0.280 400 G C 0.741 175.648 174.900 0.012 0.000 1.029 400 G CA 0.823 45.930 45.100 0.012 0.000 0.840 400 G HN 1.170 nan 8.290 nan 0.000 0.505 401 G N -1.887 106.919 108.800 0.010 0.000 2.162 401 G HA2 -0.257 3.704 3.960 0.001 0.000 0.260 401 G HA3 -0.257 3.704 3.960 0.001 0.000 0.260 401 G C 0.301 175.209 174.900 0.014 0.000 0.976 401 G CA 1.123 46.229 45.100 0.010 0.000 0.655 401 G HN 1.150 nan 8.290 nan 0.000 0.533 402 R N -0.796 119.714 120.500 0.017 0.000 2.744 402 R HA 0.609 4.950 4.340 0.001 0.000 0.279 402 R C 0.272 176.588 176.300 0.026 0.000 0.977 402 R CA -1.092 55.023 56.100 0.023 0.000 0.906 402 R CB 1.571 31.886 30.300 0.025 0.000 1.197 402 R HN 0.192 nan 8.270 nan 0.000 0.463 403 I N 2.551 123.141 120.570 0.033 0.000 2.648 403 I HA -0.051 4.120 4.170 0.001 0.000 0.284 403 I C 1.410 177.543 176.117 0.027 0.000 1.153 403 I CA 0.194 61.514 61.300 0.034 0.000 1.426 403 I CB 0.969 39.001 38.000 0.053 0.000 1.381 403 I HN 0.550 nan 8.210 nan 0.000 0.571 404 V N 2.256 122.180 119.914 0.017 0.000 3.485 404 V HA 0.691 4.812 4.120 0.001 0.000 0.280 404 V C 0.345 176.425 176.094 -0.023 0.000 1.495 404 V CA 0.377 62.685 62.300 0.015 0.000 1.018 404 V CB 0.113 31.957 31.823 0.035 0.000 0.818 404 V HN 0.818 nan 8.190 nan 0.000 0.436 405 A N -0.594 122.191 122.820 -0.059 0.000 2.567 405 A HA 0.762 5.082 4.320 0.001 0.000 0.291 405 A C -1.582 175.909 177.584 -0.155 0.000 1.048 405 A CA -0.172 51.758 52.037 -0.178 0.000 0.661 405 A CB 1.539 20.267 19.000 -0.453 0.000 1.288 405 A HN 0.617 nan 8.150 nan 0.000 0.424 406 V N 1.338 121.141 119.914 -0.184 0.000 2.638 406 V HA 0.564 4.685 4.120 0.001 0.000 0.306 406 V C -0.163 175.762 176.094 -0.281 0.000 1.052 406 V CA -0.437 61.728 62.300 -0.226 0.000 0.885 406 V CB 1.707 33.388 31.823 -0.237 0.000 0.999 406 V HN 0.924 nan 8.190 nan 0.000 0.424 407 Q N 3.463 123.087 119.800 -0.294 0.000 2.278 407 Q HA 0.621 4.961 4.340 0.001 0.000 0.257 407 Q C -1.799 174.047 176.000 -0.257 0.000 0.928 407 Q CA -0.293 55.441 55.803 -0.115 0.000 0.932 407 Q CB 1.180 29.920 28.738 0.004 0.000 1.221 407 Q HN 0.598 nan 8.270 nan 0.000 0.434 408 F N 1.603 121.567 119.950 0.023 0.000 2.594 408 F HA 0.612 5.140 4.527 0.001 0.000 0.335 408 F C -0.086 175.742 175.800 0.047 0.000 1.058 408 F CA -0.924 57.098 58.000 0.037 0.000 0.981 408 F CB 1.557 40.583 39.000 0.043 0.000 1.289 408 F HN 0.363 nan 8.300 nan 0.000 0.490 409 V N -0.946 119.136 119.914 0.280 0.000 2.823 409 V HA 0.637 4.758 4.120 0.001 0.000 0.312 409 V C -0.428 175.786 176.094 0.200 0.000 1.072 409 V CA -1.239 61.171 62.300 0.184 0.000 0.937 409 V CB 1.672 33.570 31.823 0.125 0.000 1.013 409 V HN 0.854 nan 8.190 nan 0.000 0.430 410 R N 1.730 122.328 120.500 0.164 0.000 2.641 410 R HA 0.573 4.914 4.340 0.001 0.000 0.269 410 R C 0.033 176.461 176.300 0.214 0.000 1.074 410 R CA 0.601 56.809 56.100 0.181 0.000 1.133 410 R CB 0.991 31.368 30.300 0.129 0.000 1.029 410 R HN 1.154 nan 8.270 nan 0.000 0.488 411 T N -0.122 114.616 114.554 0.306 0.000 2.916 411 T HA 0.557 4.908 4.350 0.001 0.000 0.292 411 T C -0.811 174.153 174.700 0.440 0.000 1.055 411 T CA -0.879 61.455 62.100 0.389 0.000 1.009 411 T CB 1.937 71.090 68.868 0.475 0.000 1.118 411 T HN 0.799 nan 8.240 nan 0.000 0.497 412 E N 0.432 120.877 120.200 0.409 0.000 2.439 412 E HA 0.408 4.758 4.350 0.001 0.000 0.279 412 E C -1.628 174.922 176.600 -0.083 0.000 1.077 412 E CA -1.128 55.370 56.400 0.164 0.000 0.849 412 E CB 1.410 31.107 29.700 -0.005 0.000 1.408 412 E HN 0.670 nan 8.360 nan 0.000 0.457 413 Q N 0.795 120.369 119.800 -0.377 0.000 2.337 413 Q HA 0.262 4.603 4.340 0.001 0.000 0.266 413 Q C -1.547 174.278 176.000 -0.292 0.000 1.023 413 Q CA -0.900 54.558 55.803 -0.576 0.000 0.829 413 Q CB 1.704 29.883 28.738 -0.933 0.000 1.306 413 Q HN 0.555 nan 8.270 nan 0.000 0.449 414 D N 1.362 121.632 120.400 -0.217 0.000 2.225 414 D HA 0.032 4.673 4.640 0.001 0.000 0.249 414 D C 0.252 176.481 176.300 -0.117 0.000 1.052 414 D CA -0.339 53.585 54.000 -0.126 0.000 0.909 414 D CB 0.864 41.620 40.800 -0.073 0.000 1.186 414 D HN 0.544 nan 8.370 nan 0.000 0.431 415 E N 0.176 120.326 120.200 -0.083 0.000 2.461 415 E HA -0.272 4.079 4.350 0.001 0.000 0.210 415 E C 1.078 177.646 176.600 -0.052 0.000 1.079 415 E CA 1.724 58.086 56.400 -0.064 0.000 0.880 415 E CB -0.383 29.291 29.700 -0.043 0.000 0.799 415 E HN 0.767 nan 8.360 nan 0.000 0.548 416 T N -4.939 109.582 114.554 -0.055 0.000 3.015 416 T HA 0.325 4.675 4.350 0.001 0.000 0.250 416 T C 1.493 176.170 174.700 -0.039 0.000 1.057 416 T CA 0.423 62.502 62.100 -0.034 0.000 1.066 416 T CB 1.042 69.898 68.868 -0.020 0.000 0.959 416 T HN 0.248 nan 8.240 nan 0.000 0.488 417 G N 1.245 109.992 108.800 -0.088 0.000 2.205 417 G HA2 -0.125 3.836 3.960 0.001 0.000 0.180 417 G HA3 -0.125 3.836 3.960 0.001 0.000 0.180 417 G C -0.174 174.646 174.900 -0.134 0.000 1.004 417 G CA -0.522 44.511 45.100 -0.112 0.000 0.670 417 G HN 0.590 nan 8.290 nan 0.000 0.496 418 K N 0.153 120.499 120.400 -0.091 0.000 2.234 418 K HA 0.398 4.719 4.320 0.001 0.000 0.282 418 K C -0.470 176.102 176.600 -0.046 0.000 1.039 418 K CA -0.584 55.706 56.287 0.006 0.000 0.928 418 K CB 0.829 33.352 32.500 0.039 0.000 1.039 418 K HN 0.190 nan 8.250 nan 0.000 0.470 419 W N 2.737 124.076 121.300 0.065 0.000 2.311 419 W HA 0.174 4.835 4.660 0.001 0.000 0.310 419 W C 0.385 176.946 176.519 0.070 0.000 1.274 419 W CA -0.335 57.060 57.345 0.083 0.000 1.215 419 W CB 0.446 29.963 29.460 0.096 0.000 1.227 419 W HN 0.450 nan 8.180 nan 0.000 0.523 420 N N 2.190 121.051 118.700 0.268 0.000 2.381 420 N HA 0.376 5.117 4.740 0.001 0.000 0.294 420 N C -1.127 174.500 175.510 0.196 0.000 1.216 420 N CA -0.965 52.193 53.050 0.179 0.000 0.803 420 N CB 1.837 40.382 38.487 0.096 0.000 1.372 420 N HN 0.442 nan 8.380 nan 0.000 0.500 421 E N 0.453 120.738 120.200 0.142 0.000 2.176 421 E HA 0.256 4.607 4.350 0.001 0.000 0.267 421 E C -1.277 175.382 176.600 0.098 0.000 0.893 421 E CA -0.693 55.788 56.400 0.135 0.000 0.761 421 E CB 1.571 31.341 29.700 0.115 0.000 1.133 421 E HN 0.308 nan 8.360 nan 0.000 0.409 422 D N 3.889 124.348 120.400 0.099 0.000 2.411 422 D HA 0.029 4.670 4.640 0.001 0.000 0.225 422 D C 0.735 177.075 176.300 0.067 0.000 1.156 422 D CA -0.119 53.923 54.000 0.071 0.000 0.874 422 D CB 1.067 41.905 40.800 0.064 0.000 1.034 422 D HN 0.387 nan 8.370 nan 0.000 0.502 423 E N 1.458 121.689 120.200 0.052 0.000 2.110 423 E HA -0.153 4.198 4.350 0.001 0.000 0.193 423 E C 1.194 177.818 176.600 0.040 0.000 0.988 423 E CA 0.928 57.354 56.400 0.044 0.000 0.804 423 E CB 0.126 29.844 29.700 0.030 0.000 0.745 423 E HN 0.593 nan 8.360 nan 0.000 0.458 424 D N 0.429 120.850 120.400 0.035 0.000 2.363 424 D HA -0.122 4.519 4.640 0.001 0.000 0.226 424 D C 0.105 176.427 176.300 0.037 0.000 1.020 424 D CA 0.240 54.258 54.000 0.030 0.000 0.892 424 D CB -0.134 40.680 40.800 0.022 0.000 0.900 424 D HN 0.171 nan 8.370 nan 0.000 0.531 425 Q N 1.175 121.004 119.800 0.049 0.000 2.456 425 Q HA 0.456 4.797 4.340 0.001 0.000 0.252 425 Q C -0.052 175.996 176.000 0.079 0.000 1.042 425 Q CA -0.456 55.381 55.803 0.057 0.000 0.766 425 Q CB 1.798 30.569 28.738 0.055 0.000 1.196 425 Q HN 0.392 nan 8.270 nan 0.000 0.504 426 I N -1.815 118.802 120.570 0.079 0.000 2.982 426 I HA 0.827 4.998 4.170 0.001 0.000 0.312 426 I C -0.686 175.504 176.117 0.121 0.000 1.041 426 I CA -1.371 59.994 61.300 0.107 0.000 1.053 426 I CB 1.834 39.891 38.000 0.094 0.000 1.248 426 I HN 0.060 nan 8.210 nan 0.000 0.471 427 V N 1.995 122.012 119.914 0.171 0.000 2.638 427 V HA 0.287 4.408 4.120 0.001 0.000 0.306 427 V C -1.160 175.077 176.094 0.239 0.000 1.052 427 V CA -0.440 61.965 62.300 0.174 0.000 0.885 427 V CB 1.379 33.286 31.823 0.140 0.000 0.999 427 V HN 0.820 nan 8.190 nan 0.000 0.424 428 H N 4.427 123.549 119.070 0.087 0.000 2.643 428 H HA 0.588 5.145 4.556 0.001 0.000 0.259 428 H C -0.874 174.482 175.328 0.046 0.000 1.298 428 H CA -0.469 55.620 56.048 0.069 0.000 1.301 428 H CB 0.995 30.776 29.762 0.033 0.000 1.422 428 H HN 0.549 nan 8.280 nan 0.000 0.521 429 L N 4.390 125.550 121.223 -0.106 0.000 2.260 429 L HA 0.315 4.656 4.340 0.001 0.000 0.289 429 L C -0.392 176.335 176.870 -0.237 0.000 1.057 429 L CA -0.282 54.457 54.840 -0.168 0.000 0.811 429 L CB 0.399 42.377 42.059 -0.136 0.000 1.184 429 L HN 0.483 nan 8.230 nan 0.000 0.429 430 K N 4.314 124.595 120.400 -0.198 0.000 2.401 430 K HA 0.598 4.919 4.320 0.001 0.000 0.278 430 K C -0.558 175.993 176.600 -0.081 0.000 1.018 430 K CA 0.225 56.441 56.287 -0.119 0.000 0.981 430 K CB 0.618 33.101 32.500 -0.028 0.000 0.933 430 K HN 0.792 nan 8.250 nan 0.000 0.477 431 A N 2.860 125.659 122.820 -0.035 0.000 2.605 431 A HA 0.280 4.601 4.320 0.001 0.000 0.294 431 A C -1.055 176.544 177.584 0.024 0.000 1.062 431 A CA -0.815 51.231 52.037 0.014 0.000 0.682 431 A CB 1.169 20.178 19.000 0.015 0.000 1.278 431 A HN 0.751 nan 8.150 nan 0.000 0.410 432 D N -0.562 119.860 120.400 0.037 0.000 2.423 432 D HA 0.349 4.990 4.640 0.001 0.000 0.212 432 D C -0.097 176.230 176.300 0.044 0.000 1.060 432 D CA 0.642 54.664 54.000 0.037 0.000 0.872 432 D CB 0.987 41.808 40.800 0.035 0.000 1.012 432 D HN 0.287 nan 8.370 nan 0.000 0.503 433 V N 1.048 120.981 119.914 0.032 0.000 2.760 433 V HA 0.468 4.589 4.120 0.001 0.000 0.309 433 V C -0.830 175.259 176.094 -0.009 0.000 1.077 433 V CA -0.908 61.407 62.300 0.026 0.000 0.910 433 V CB 2.739 34.550 31.823 -0.020 0.000 1.008 433 V HN -0.234 nan 8.190 nan 0.000 0.424 434 V N 5.481 125.393 119.914 -0.003 0.000 2.531 434 V HA 0.575 4.696 4.120 0.001 0.000 0.301 434 V C -0.619 175.317 176.094 -0.264 0.000 1.034 434 V CA -0.373 61.891 62.300 -0.061 0.000 0.865 434 V CB 1.934 33.801 31.823 0.072 0.000 0.995 434 V HN 0.707 nan 8.190 nan 0.000 0.424 435 I N 4.054 124.411 120.570 -0.354 0.000 2.411 435 I HA 0.373 4.544 4.170 0.001 0.000 0.284 435 I C 0.288 176.124 176.117 -0.469 0.000 1.012 435 I CA -0.380 60.627 61.300 -0.489 0.000 1.119 435 I CB 2.131 39.819 38.000 -0.519 0.000 1.261 435 I HN 0.675 nan 8.210 nan 0.000 0.448 436 S N 4.681 120.046 115.700 -0.559 0.000 2.499 436 S HA 0.659 5.130 4.470 0.001 0.000 0.275 436 S C 0.258 174.585 174.600 -0.456 0.000 1.257 436 S CA -0.506 57.351 58.200 -0.572 0.000 1.050 436 S CB 1.551 64.552 63.200 -0.332 0.000 0.937 436 S HN 0.738 nan 8.310 nan 0.000 0.490 437 A N 3.267 125.753 122.820 -0.556 0.000 3.129 437 A HA 0.578 4.899 4.320 0.001 0.000 0.282 437 A C 0.104 177.592 177.584 -0.160 0.000 0.948 437 A CA -0.626 51.259 52.037 -0.254 0.000 1.027 437 A CB -0.610 18.292 19.000 -0.163 0.000 1.123 437 A HN 0.740 nan 8.150 nan 0.000 0.485 438 F N 0.386 120.386 119.950 0.084 0.000 2.456 438 F HA 0.358 4.885 4.527 0.001 0.000 0.298 438 F C 1.672 177.519 175.800 0.078 0.000 1.104 438 F CA 0.791 58.845 58.000 0.091 0.000 1.435 438 F CB -0.074 38.995 39.000 0.114 0.000 1.078 438 F HN 0.585 nan 8.300 nan 0.000 0.546 439 G N -1.053 107.884 108.800 0.228 0.000 2.293 439 G HA2 0.238 4.199 3.960 0.001 0.000 0.282 439 G HA3 0.238 4.199 3.960 0.001 0.000 0.282 439 G C -1.090 173.898 174.900 0.146 0.000 1.299 439 G CA -0.585 44.613 45.100 0.163 0.000 1.018 439 G HN 0.059 nan 8.290 nan 0.000 0.478 440 S N -1.490 114.283 115.700 0.122 0.000 2.632 440 S HA 0.933 5.404 4.470 0.001 0.000 0.289 440 S C -0.149 174.514 174.600 0.104 0.000 1.115 440 S CA -0.024 58.242 58.200 0.109 0.000 0.889 440 S CB 1.878 65.132 63.200 0.090 0.000 1.116 440 S HN 2.083 nan 8.310 nan 0.000 0.486 441 V N -0.947 119.026 119.914 0.098 0.000 3.203 441 V HA 0.813 4.934 4.120 0.001 0.000 0.305 441 V C -1.936 174.211 176.094 0.087 0.000 1.361 441 V CA -1.070 61.288 62.300 0.096 0.000 1.066 441 V CB 1.678 33.560 31.823 0.099 0.000 1.085 441 V HN 0.704 nan 8.190 nan 0.000 0.456 442 L N 1.543 122.822 121.223 0.093 0.000 2.298 442 L HA 0.763 5.103 4.340 0.001 0.000 0.284 442 L C 0.376 177.295 176.870 0.082 0.000 1.013 442 L CA 0.150 55.044 54.840 0.090 0.000 0.824 442 L CB 1.122 43.250 42.059 0.115 0.000 1.221 442 L HN 0.931 nan 8.230 nan 0.000 0.418 443 R N 2.106 122.642 120.500 0.061 0.000 2.526 443 R HA 0.174 4.515 4.340 0.001 0.000 0.346 443 R C -0.457 175.856 176.300 0.022 0.000 0.926 443 R CA -0.322 55.803 56.100 0.041 0.000 1.147 443 R CB 0.459 30.787 30.300 0.047 0.000 1.629 443 R HN 0.683 nan 8.270 nan 0.000 0.516 444 D N 2.670 123.085 120.400 0.025 0.000 2.346 444 D HA 0.034 4.674 4.640 0.001 0.000 0.260 444 D C -1.465 174.830 176.300 -0.007 0.000 1.252 444 D CA -1.725 52.282 54.000 0.013 0.000 0.895 444 D CB 1.779 42.590 40.800 0.019 0.000 1.097 444 D HN 0.128 nan 8.370 nan 0.000 0.489 445 P HA -0.147 nan 4.420 nan 0.000 0.220 445 P C 0.889 178.165 177.300 -0.041 0.000 1.148 445 P CA 0.978 64.052 63.100 -0.045 0.000 0.803 445 P CB 0.458 32.133 31.700 -0.041 0.000 0.782 446 K N -0.416 119.971 120.400 -0.022 0.000 2.155 446 K HA -0.012 4.309 4.320 0.001 0.000 0.203 446 K C 2.081 178.673 176.600 -0.013 0.000 1.052 446 K CA 0.831 57.107 56.287 -0.018 0.000 0.948 446 K CB -0.389 32.105 32.500 -0.010 0.000 0.728 446 K HN 0.034 nan 8.250 nan 0.000 0.448 447 V N 1.774 121.685 119.914 -0.005 0.000 2.407 447 V HA -0.185 3.936 4.120 0.001 0.000 0.245 447 V C 1.933 178.039 176.094 0.020 0.000 1.041 447 V CA 1.547 63.853 62.300 0.009 0.000 1.040 447 V CB -0.281 31.556 31.823 0.023 0.000 0.671 447 V HN 0.249 nan 8.190 nan 0.000 0.455 448 K N -0.016 120.381 120.400 -0.006 0.000 2.097 448 K HA -0.214 4.107 4.320 0.001 0.000 0.206 448 K C 2.180 178.734 176.600 -0.076 0.000 1.049 448 K CA 1.591 57.845 56.287 -0.056 0.000 0.933 448 K CB -0.151 32.209 32.500 -0.234 0.000 0.717 448 K HN 0.476 nan 8.250 nan 0.000 0.442 449 E N 0.623 120.782 120.200 -0.068 0.000 2.150 449 E HA -0.143 4.208 4.350 0.001 0.000 0.193 449 E C 1.797 178.390 176.600 -0.011 0.000 0.985 449 E CA 0.741 57.111 56.400 -0.051 0.000 0.814 449 E CB 0.024 29.698 29.700 -0.043 0.000 0.752 449 E HN 0.327 nan 8.360 nan 0.000 0.466 450 A N 0.418 123.237 122.820 -0.002 0.000 2.121 450 A HA -0.068 4.252 4.320 0.001 0.000 0.218 450 A C 1.843 179.439 177.584 0.019 0.000 1.154 450 A CA 0.631 52.670 52.037 0.004 0.000 0.679 450 A CB -0.209 18.786 19.000 -0.008 0.000 0.795 450 A HN 0.237 nan 8.150 nan 0.000 0.458 451 L N -0.187 121.067 121.223 0.051 0.000 2.592 451 L HA 0.096 4.436 4.340 0.001 0.000 0.227 451 L C 1.200 178.127 176.870 0.095 0.000 1.127 451 L CA -0.210 54.676 54.840 0.078 0.000 0.884 451 L CB -0.028 42.151 42.059 0.200 0.000 1.065 451 L HN 0.333 nan 8.230 nan 0.000 0.457 452 S N 1.799 117.540 115.700 0.069 0.000 2.558 452 S HA 0.097 4.568 4.470 0.001 0.000 0.288 452 S C -1.610 173.033 174.600 0.073 0.000 1.318 452 S CA -0.792 57.447 58.200 0.064 0.000 1.056 452 S CB 0.579 63.799 63.200 0.034 0.000 0.853 452 S HN 0.090 nan 8.310 nan 0.000 0.505 453 P HA 0.256 nan 4.420 nan 0.000 0.270 453 P C 0.213 177.556 177.300 0.072 0.000 1.754 453 P CA -0.382 62.760 63.100 0.069 0.000 1.202 453 P CB -0.630 31.106 31.700 0.060 0.000 1.592 454 I N -2.406 118.203 120.570 0.065 0.000 2.813 454 I HA 0.193 4.364 4.170 0.001 0.000 0.287 454 I C 0.102 176.290 176.117 0.118 0.000 1.196 454 I CA -0.332 60.976 61.300 0.013 0.000 1.421 454 I CB 0.471 38.404 38.000 -0.112 0.000 1.365 454 I HN -0.226 nan 8.210 nan 0.000 0.591 455 K N 4.262 124.682 120.400 0.033 0.000 2.326 455 K HA 0.356 4.677 4.320 0.001 0.000 0.275 455 K C -1.158 175.485 176.600 0.073 0.000 1.018 455 K CA -0.116 56.228 56.287 0.095 0.000 0.962 455 K CB 0.646 33.157 32.500 0.018 0.000 0.953 455 K HN 0.376 nan 8.250 nan 0.000 0.475 456 F N 2.207 122.148 119.950 -0.015 0.000 2.480 456 F HA 0.181 4.709 4.527 0.001 0.000 0.329 456 F C 0.739 176.561 175.800 0.037 0.000 1.091 456 F CA -1.031 56.972 58.000 0.004 0.000 0.972 456 F CB 1.171 40.175 39.000 0.007 0.000 1.150 456 F HN 0.588 nan 8.300 nan 0.000 0.467 457 N N 1.370 120.181 118.700 0.185 0.000 2.374 457 N HA 0.190 4.931 4.740 0.001 0.000 0.284 457 N C 1.044 176.718 175.510 0.273 0.000 1.280 457 N CA -0.543 52.639 53.050 0.220 0.000 0.963 457 N CB 0.236 38.862 38.487 0.232 0.000 1.141 457 N HN 0.606 nan 8.380 nan 0.000 0.565 458 R N -1.122 119.567 120.500 0.316 0.000 2.152 458 R HA -0.013 4.328 4.340 0.001 0.000 0.232 458 R C 0.559 176.835 176.300 -0.040 0.000 1.117 458 R CA 1.032 57.167 56.100 0.059 0.000 0.981 458 R CB -0.145 30.043 30.300 -0.187 0.000 0.870 458 R HN 0.719 nan 8.270 nan 0.000 0.451 459 W N 1.003 122.326 121.300 0.039 0.000 3.345 459 W HA 0.067 4.728 4.660 0.001 0.000 0.282 459 W C -0.046 176.516 176.519 0.072 0.000 1.302 459 W CA -0.017 57.352 57.345 0.041 0.000 1.724 459 W CB 0.020 29.495 29.460 0.026 0.000 1.104 459 W HN 0.237 nan 8.180 nan 0.000 0.694 460 D N 0.917 121.492 120.400 0.291 0.000 2.800 460 D HA -0.188 4.453 4.640 0.001 0.000 0.232 460 D C -0.652 175.911 176.300 0.438 0.000 1.137 460 D CA 0.801 54.985 54.000 0.306 0.000 0.718 460 D CB -1.284 39.613 40.800 0.163 0.000 1.084 460 D HN 0.050 nan 8.370 nan 0.000 0.432 461 L N -0.903 120.515 121.223 0.325 0.000 2.323 461 L HA 0.618 4.959 4.340 0.001 0.000 0.265 461 L C -2.050 174.618 176.870 -0.336 0.000 1.012 461 L CA -2.400 52.491 54.840 0.084 0.000 0.820 461 L CB 1.961 44.047 42.059 0.044 0.000 1.334 461 L HN -0.219 nan 8.230 nan 0.000 0.427 462 P HA -0.028 nan 4.420 nan 0.000 0.263 462 P C -0.945 176.085 177.300 -0.449 0.000 1.195 462 P CA 0.129 62.688 63.100 -0.902 0.000 0.762 462 P CB 0.375 31.665 31.700 -0.684 0.000 0.799 463 E N 3.240 123.223 120.200 -0.363 0.000 2.289 463 E HA 0.353 4.704 4.350 0.001 0.000 0.278 463 E C -0.640 175.830 176.600 -0.217 0.000 1.032 463 E CA -0.755 55.519 56.400 -0.210 0.000 0.854 463 E CB 0.494 30.119 29.700 -0.124 0.000 1.046 463 E HN 0.253 nan 8.360 nan 0.000 0.409 464 V N 1.359 121.163 119.914 -0.183 0.000 3.007 464 V HA 0.394 4.515 4.120 0.001 0.000 0.311 464 V C -0.411 175.598 176.094 -0.141 0.000 1.120 464 V CA -1.189 61.005 62.300 -0.177 0.000 0.980 464 V CB 1.832 33.559 31.823 -0.160 0.000 1.033 464 V HN 0.778 nan 8.190 nan 0.000 0.429 465 D N 4.423 124.735 120.400 -0.146 0.000 2.383 465 D HA 0.245 4.886 4.640 0.001 0.000 0.252 465 D C -1.473 174.765 176.300 -0.103 0.000 1.166 465 D CA -1.342 52.583 54.000 -0.126 0.000 0.879 465 D CB 2.249 42.958 40.800 -0.152 0.000 1.164 465 D HN 0.551 nan 8.370 nan 0.000 0.462 466 P HA -0.142 nan 4.420 nan 0.000 0.225 466 P C 0.797 178.069 177.300 -0.047 0.000 1.148 466 P CA 0.916 63.978 63.100 -0.063 0.000 0.779 466 P CB 0.554 32.216 31.700 -0.064 0.000 0.780 467 E N 0.636 120.788 120.200 -0.080 0.000 2.201 467 E HA -0.059 4.292 4.350 0.001 0.000 0.193 467 E C 1.858 178.350 176.600 -0.179 0.000 0.957 467 E CA 1.537 57.888 56.400 -0.082 0.000 0.858 467 E CB -0.864 28.779 29.700 -0.096 0.000 0.816 467 E HN 0.181 nan 8.360 nan 0.000 0.475 468 T N -2.409 111.947 114.554 -0.331 0.000 3.022 468 T HA 0.165 4.515 4.350 0.001 0.000 0.250 468 T C 0.807 175.559 174.700 0.086 0.000 1.060 468 T CA 0.430 62.232 62.100 -0.496 0.000 1.013 468 T CB 0.114 68.619 68.868 -0.606 0.000 0.982 468 T HN 0.088 nan 8.240 nan 0.000 0.508 469 M N -0.177 119.457 119.600 0.056 0.000 2.908 469 M HA -0.160 4.321 4.480 0.001 0.000 0.191 469 M C 0.068 176.415 176.300 0.078 0.000 0.619 469 M CA 0.525 55.913 55.300 0.146 0.000 0.709 469 M CB -2.830 29.967 32.600 0.328 0.000 2.554 469 M HN 0.657 nan 8.290 nan 0.000 0.356 470 Q N 1.523 121.221 119.800 -0.171 0.000 2.288 470 Q HA 0.429 4.770 4.340 0.001 0.000 0.254 470 Q C 0.858 176.577 176.000 -0.467 0.000 0.932 470 Q CA 0.429 55.825 55.803 -0.679 0.000 0.902 470 Q CB 1.252 29.561 28.738 -0.715 0.000 1.203 470 Q HN 0.469 nan 8.270 nan 0.000 0.415 471 T N -0.730 113.506 114.554 -0.530 0.000 2.833 471 T HA 0.123 4.473 4.350 0.001 0.000 0.292 471 T C 1.306 175.815 174.700 -0.319 0.000 1.031 471 T CA -0.004 61.871 62.100 -0.375 0.000 0.937 471 T CB 0.585 69.224 68.868 -0.382 0.000 1.256 471 T HN 0.697 nan 8.240 nan 0.000 0.551 472 S N -0.778 114.784 115.700 -0.229 0.000 2.474 472 S HA -0.016 4.455 4.470 0.001 0.000 0.235 472 S C 0.506 175.019 174.600 -0.145 0.000 0.997 472 S CA 0.317 58.425 58.200 -0.153 0.000 0.949 472 S CB -0.474 62.672 63.200 -0.091 0.000 0.766 472 S HN 0.684 nan 8.310 nan 0.000 0.517 473 E N 2.139 122.214 120.200 -0.207 0.000 2.109 473 E HA 0.313 4.664 4.350 0.001 0.000 0.278 473 E C -2.031 174.395 176.600 -0.291 0.000 0.954 473 E CA -2.678 53.627 56.400 -0.158 0.000 0.779 473 E CB 1.451 31.038 29.700 -0.188 0.000 1.093 473 E HN 0.093 nan 8.360 nan 0.000 0.401 474 P HA -0.176 nan 4.420 nan 0.000 0.217 474 P C 1.142 178.032 177.300 -0.683 0.000 1.151 474 P CA 1.377 64.293 63.100 -0.307 0.000 0.849 474 P CB -0.022 31.677 31.700 -0.001 0.000 0.787 475 W N -1.424 119.508 121.300 -0.612 0.000 3.256 475 W HA 0.300 4.961 4.660 0.001 0.000 0.269 475 W C -0.861 175.588 176.519 -0.116 0.000 1.310 475 W CA 0.117 57.148 57.345 -0.524 0.000 1.673 475 W CB -0.725 28.689 29.460 -0.077 0.000 1.115 475 W HN -0.302 nan 8.180 nan 0.000 0.686 476 V N 2.629 122.083 119.914 -0.768 0.000 2.448 476 V HA 0.425 4.546 4.120 0.001 0.000 0.295 476 V C -0.810 174.968 176.094 -0.527 0.000 1.025 476 V CA -0.474 61.427 62.300 -0.664 0.000 0.859 476 V CB 1.065 32.344 31.823 -0.908 0.000 0.988 476 V HN -0.185 nan 8.190 nan 0.000 0.431 477 F N 2.034 121.834 119.950 -0.250 0.000 2.618 477 F HA 0.938 5.466 4.527 0.001 0.000 0.332 477 F C 0.380 176.003 175.800 -0.295 0.000 1.061 477 F CA -0.740 57.180 58.000 -0.133 0.000 0.974 477 F CB 2.090 41.157 39.000 0.111 0.000 1.310 477 F HN 0.606 nan 8.300 nan 0.000 0.491 478 A N 0.072 122.813 122.820 -0.132 0.000 2.594 478 A HA 0.915 5.235 4.320 0.001 0.000 0.295 478 A C -0.882 176.543 177.584 -0.265 0.000 1.071 478 A CA -0.176 51.555 52.037 -0.510 0.000 0.685 478 A CB 1.714 20.485 19.000 -0.383 0.000 1.285 478 A HN 1.275 nan 8.150 nan 0.000 0.405 479 G N -1.129 107.453 108.800 -0.364 0.000 2.576 479 G HA2 0.858 4.818 3.960 0.001 0.000 0.290 479 G HA3 0.858 4.818 3.960 0.001 0.000 0.290 479 G C 0.128 175.077 174.900 0.081 0.000 1.442 479 G CA 0.619 45.774 45.100 0.092 0.000 0.792 479 G HN 2.670 nan 8.290 nan 0.000 0.491 480 G N 0.131 108.994 108.800 0.104 0.000 2.587 480 G HA2 -0.047 3.914 3.960 0.001 0.000 0.212 480 G HA3 -0.047 3.914 3.960 0.001 0.000 0.212 480 G C 0.479 175.393 174.900 0.023 0.000 1.327 480 G CA 0.660 45.808 45.100 0.078 0.000 0.898 480 G HN 0.824 nan 8.290 nan 0.000 0.551 481 D N -0.580 119.836 120.400 0.026 0.000 2.158 481 D HA -0.104 4.537 4.640 0.001 0.000 0.197 481 D C 2.418 178.714 176.300 -0.006 0.000 0.995 481 D CA 1.466 55.475 54.000 0.015 0.000 0.846 481 D CB -0.112 40.707 40.800 0.032 0.000 0.941 481 D HN 0.476 nan 8.370 nan 0.000 0.456 482 I N 0.239 120.794 120.570 -0.024 0.000 2.335 482 I HA -0.223 3.948 4.170 0.001 0.000 0.251 482 I C 1.881 177.949 176.117 -0.083 0.000 1.129 482 I CA 0.966 62.234 61.300 -0.052 0.000 1.402 482 I CB 0.047 37.988 38.000 -0.097 0.000 1.069 482 I HN -0.143 nan 8.210 nan 0.000 0.424 483 V N 1.041 120.900 119.914 -0.092 0.000 2.809 483 V HA 0.087 4.208 4.120 0.001 0.000 0.256 483 V C 1.935 177.960 176.094 -0.115 0.000 1.080 483 V CA 1.028 63.258 62.300 -0.117 0.000 1.102 483 V CB -1.410 30.353 31.823 -0.099 0.000 0.705 483 V HN 0.693 nan 8.190 nan 0.000 0.475 484 G N -0.057 108.695 108.800 -0.079 0.000 2.153 484 G HA2 -0.405 3.556 3.960 0.001 0.000 0.252 484 G HA3 -0.405 3.556 3.960 0.001 0.000 0.252 484 G C 0.734 175.556 174.900 -0.130 0.000 0.994 484 G CA 0.918 45.966 45.100 -0.087 0.000 0.698 484 G HN 0.459 nan 8.290 nan 0.000 0.521 485 M N -0.544 118.990 119.600 -0.110 0.000 2.429 485 M HA 0.613 5.094 4.480 0.001 0.000 0.265 485 M C 1.286 177.546 176.300 -0.067 0.000 1.120 485 M CA 1.638 56.871 55.300 -0.113 0.000 1.173 485 M CB 0.326 32.864 32.600 -0.103 0.000 1.343 485 M HN 0.746 nan 8.290 nan 0.000 0.464 486 A N 0.447 123.244 122.820 -0.039 0.000 2.435 486 A HA 0.604 4.925 4.320 0.001 0.000 0.296 486 A C -0.674 176.908 177.584 -0.003 0.000 1.147 486 A CA -0.659 51.367 52.037 -0.018 0.000 0.775 486 A CB 1.026 20.020 19.000 -0.009 0.000 1.340 486 A HN 0.404 nan 8.150 nan 0.000 0.427 487 N N 0.177 118.880 118.700 0.005 0.000 2.628 487 N HA 0.249 4.990 4.740 0.001 0.000 0.299 487 N C -0.949 174.572 175.510 0.018 0.000 1.834 487 N CA 0.510 53.570 53.050 0.016 0.000 0.871 487 N CB 0.797 39.296 38.487 0.020 0.000 1.377 487 N HN 0.921 nan 8.380 nan 0.000 0.493 488 T N -4.265 110.299 114.554 0.016 0.000 2.896 488 T HA 0.353 4.704 4.350 0.001 0.000 0.297 488 T C 1.093 175.804 174.700 0.019 0.000 1.108 488 T CA -0.439 61.670 62.100 0.015 0.000 1.004 488 T CB 1.301 70.173 68.868 0.007 0.000 1.159 488 T HN -0.105 nan 8.240 nan 0.000 0.499 489 T N 1.118 115.682 114.554 0.017 0.000 2.708 489 T HA -0.121 4.230 4.350 0.001 0.000 0.266 489 T C 2.024 176.732 174.700 0.014 0.000 1.037 489 T CA 1.465 63.576 62.100 0.018 0.000 1.146 489 T CB -0.332 68.542 68.868 0.010 0.000 0.865 489 T HN 0.539 nan 8.240 nan 0.000 0.435 490 V N 1.314 121.229 119.914 0.003 0.000 2.407 490 V HA -0.164 3.957 4.120 0.001 0.000 0.248 490 V C 2.283 178.385 176.094 0.012 0.000 1.055 490 V CA 1.894 64.193 62.300 -0.001 0.000 1.049 490 V CB -0.410 31.408 31.823 -0.008 0.000 0.662 490 V HN 0.533 nan 8.190 nan 0.000 0.455 491 E N -0.436 119.774 120.200 0.015 0.000 2.152 491 E HA -0.123 4.228 4.350 0.001 0.000 0.192 491 E C 2.366 178.987 176.600 0.036 0.000 0.983 491 E CA 1.298 57.710 56.400 0.020 0.000 0.818 491 E CB -0.101 29.607 29.700 0.012 0.000 0.758 491 E HN 0.591 nan 8.360 nan 0.000 0.467 492 S N 0.351 116.078 115.700 0.044 0.000 2.368 492 S HA -0.107 4.363 4.470 0.001 0.000 0.224 492 S C 2.175 176.824 174.600 0.082 0.000 1.029 492 S CA 0.642 58.885 58.200 0.072 0.000 0.988 492 S CB -0.053 63.191 63.200 0.072 0.000 0.838 492 S HN 0.056 nan 8.310 nan 0.000 0.462 493 V N 2.640 122.589 119.914 0.057 0.000 2.343 493 V HA -0.190 3.931 4.120 0.001 0.000 0.247 493 V C 2.284 178.413 176.094 0.058 0.000 1.051 493 V CA 1.964 64.300 62.300 0.060 0.000 1.036 493 V CB -0.840 31.005 31.823 0.038 0.000 0.654 493 V HN 0.463 nan 8.190 nan 0.000 0.451 494 N N 0.225 118.947 118.700 0.037 0.000 2.166 494 N HA -0.171 4.570 4.740 0.001 0.000 0.186 494 N C 1.465 176.986 175.510 0.018 0.000 1.019 494 N CA 1.469 54.525 53.050 0.010 0.000 0.856 494 N CB -0.201 38.291 38.487 0.008 0.000 0.993 494 N HN 0.426 nan 8.380 nan 0.000 0.426 495 D N -0.781 119.656 120.400 0.062 0.000 2.117 495 D HA -0.069 4.572 4.640 0.001 0.000 0.197 495 D C 1.840 178.214 176.300 0.125 0.000 0.987 495 D CA 1.381 55.450 54.000 0.115 0.000 0.829 495 D CB -0.833 40.063 40.800 0.160 0.000 0.961 495 D HN 0.451 nan 8.370 nan 0.000 0.460 496 G N 0.671 109.507 108.800 0.061 0.000 2.408 496 G HA2 -0.283 3.678 3.960 0.001 0.000 0.217 496 G HA3 -0.283 3.678 3.960 0.001 0.000 0.217 496 G C 1.550 176.367 174.900 -0.138 0.000 1.150 496 G CA 0.887 45.887 45.100 -0.167 0.000 0.776 496 G HN 0.270 nan 8.290 nan 0.000 0.542 497 K N -0.208 120.132 120.400 -0.100 0.000 2.002 497 K HA -0.162 4.159 4.320 0.001 0.000 0.209 497 K C 2.545 178.995 176.600 -0.251 0.000 1.048 497 K CA 1.726 57.793 56.287 -0.368 0.000 0.930 497 K CB -0.185 32.021 32.500 -0.490 0.000 0.714 497 K HN 0.273 nan 8.250 nan 0.000 0.438 498 Q N 0.467 120.218 119.800 -0.083 0.000 2.061 498 Q HA -0.125 4.216 4.340 0.001 0.000 0.204 498 Q C 1.792 177.910 176.000 0.197 0.000 0.984 498 Q CA 2.230 58.076 55.803 0.072 0.000 0.846 498 Q CB -0.442 28.367 28.738 0.118 0.000 0.902 498 Q HN 0.433 nan 8.270 nan 0.000 0.421 499 A N -0.174 122.734 122.820 0.148 0.000 1.933 499 A HA -0.208 4.113 4.320 0.001 0.000 0.218 499 A C 2.251 179.799 177.584 -0.059 0.000 1.175 499 A CA 2.119 54.249 52.037 0.154 0.000 0.628 499 A CB -1.133 17.995 19.000 0.214 0.000 0.814 499 A HN 0.615 nan 8.150 nan 0.000 0.444 500 S N -1.360 114.281 115.700 -0.098 0.000 2.370 500 S HA -0.255 4.215 4.470 0.001 0.000 0.226 500 S C 1.939 176.514 174.600 -0.040 0.000 1.033 500 S CA 1.334 59.474 58.200 -0.100 0.000 1.011 500 S CB -0.905 62.297 63.200 0.004 0.000 0.852 500 S HN 0.765 nan 8.310 nan 0.000 0.457 501 W N 1.176 122.381 121.300 -0.158 0.000 2.381 501 W HA -0.149 4.512 4.660 0.002 0.000 0.301 501 W C 1.521 177.906 176.519 -0.223 0.000 1.205 501 W CA 1.184 58.410 57.345 -0.198 0.000 1.285 501 W CB -0.336 28.898 29.460 -0.377 0.000 1.133 501 W HN 0.375 nan 8.180 nan 0.000 0.521 502 Y N 0.380 120.661 120.300 -0.031 0.000 2.457 502 Y HA -0.088 4.462 4.550 0.001 0.000 0.292 502 Y C 2.433 178.209 175.900 -0.207 0.000 1.125 502 Y CA 1.213 59.288 58.100 -0.042 0.000 1.254 502 Y CB -0.817 37.800 38.460 0.262 0.000 1.012 502 Y HN -0.134 nan 8.280 nan 0.000 0.555 503 I N -0.928 119.369 120.570 -0.454 0.000 2.286 503 I HA -0.299 3.872 4.170 0.001 0.000 0.245 503 I C 2.483 178.466 176.117 -0.223 0.000 1.104 503 I CA 1.526 62.460 61.300 -0.609 0.000 1.397 503 I CB -0.304 37.292 38.000 -0.673 0.000 1.072 503 I HN 0.242 nan 8.210 nan 0.000 0.417 504 H N 1.629 120.473 119.070 -0.377 0.000 2.319 504 H HA -0.228 4.329 4.556 0.001 0.000 0.299 504 H C 2.217 177.359 175.328 -0.310 0.000 1.092 504 H CA 2.113 57.964 56.048 -0.328 0.000 1.302 504 H CB -0.088 29.456 29.762 -0.362 0.000 1.373 504 H HN 0.107 nan 8.280 nan 0.000 0.497 505 K N -0.970 119.085 120.400 -0.574 0.000 2.032 505 K HA -0.244 4.077 4.320 0.001 0.000 0.209 505 K C 2.198 178.702 176.600 -0.161 0.000 1.048 505 K CA 1.645 57.655 56.287 -0.461 0.000 0.927 505 K CB -0.508 31.814 32.500 -0.297 0.000 0.712 505 K HN 0.402 nan 8.250 nan 0.000 0.441 506 Y N 1.608 121.870 120.300 -0.063 0.000 2.114 506 Y HA -0.209 4.342 4.550 0.001 0.000 0.284 506 Y C 1.860 177.788 175.900 0.047 0.000 1.143 506 Y CA 1.820 59.967 58.100 0.077 0.000 1.135 506 Y CB -0.277 38.344 38.460 0.269 0.000 0.980 506 Y HN 0.024 nan 8.280 nan 0.000 0.499 507 I N 0.067 120.567 120.570 -0.116 0.000 2.179 507 I HA -0.343 3.828 4.170 0.001 0.000 0.242 507 I C 2.418 178.479 176.117 -0.093 0.000 1.088 507 I CA 1.335 62.572 61.300 -0.106 0.000 1.357 507 I CB -0.566 37.430 38.000 -0.007 0.000 1.051 507 I HN 0.321 nan 8.210 nan 0.000 0.409 508 Q N 0.700 120.375 119.800 -0.207 0.000 2.096 508 Q HA -0.192 4.149 4.340 0.001 0.000 0.204 508 Q C 2.460 178.390 176.000 -0.116 0.000 0.982 508 Q CA 1.975 57.647 55.803 -0.219 0.000 0.850 508 Q CB -0.551 27.957 28.738 -0.382 0.000 0.901 508 Q HN 0.586 nan 8.270 nan 0.000 0.422 509 A N 0.967 123.691 122.820 -0.161 0.000 1.933 509 A HA -0.193 4.128 4.320 0.001 0.000 0.218 509 A C 2.059 179.560 177.584 -0.138 0.000 1.175 509 A CA 1.202 53.164 52.037 -0.125 0.000 0.628 509 A CB -0.324 18.609 19.000 -0.111 0.000 0.814 509 A HN 0.244 nan 8.150 nan 0.000 0.444 510 Q N -1.399 118.265 119.800 -0.227 0.000 2.226 510 Q HA -0.141 4.200 4.340 0.001 0.000 0.204 510 Q C 0.704 176.583 176.000 -0.202 0.000 0.975 510 Q CA 1.271 56.923 55.803 -0.251 0.000 0.866 510 Q CB -0.283 28.245 28.738 -0.349 0.000 0.915 510 Q HN 0.867 nan 8.270 nan 0.000 0.440 511 Y N -0.552 119.654 120.300 -0.156 0.000 2.532 511 Y HA 0.268 4.818 4.550 0.001 0.000 0.283 511 Y C 1.277 177.127 175.900 -0.085 0.000 1.181 511 Y CA 0.275 58.312 58.100 -0.105 0.000 1.256 511 Y CB 0.371 38.770 38.460 -0.101 0.000 1.112 511 Y HN 0.199 nan 8.280 nan 0.000 0.521 512 G N 0.375 109.183 108.800 0.013 0.000 2.176 512 G HA2 -0.119 3.842 3.960 0.001 0.000 0.252 512 G HA3 -0.119 3.842 3.960 0.001 0.000 0.252 512 G C 0.047 174.951 174.900 0.007 0.000 1.024 512 G CA 0.179 45.279 45.100 -0.001 0.000 0.755 512 G HN 0.648 nan 8.290 nan 0.000 0.507 513 A N -0.452 122.366 122.820 -0.004 0.000 2.374 513 A HA 0.948 5.269 4.320 0.001 0.000 0.317 513 A C 0.387 177.945 177.584 -0.043 0.000 1.094 513 A CA 0.540 52.567 52.037 -0.016 0.000 0.765 513 A CB 1.437 20.424 19.000 -0.022 0.000 1.268 513 A HN 1.832 nan 8.150 nan 0.000 0.438 514 S N 0.311 115.999 115.700 -0.020 0.000 2.687 514 S HA 0.790 5.260 4.470 0.001 0.000 0.283 514 S C 0.090 174.678 174.600 -0.021 0.000 1.170 514 S CA 0.021 58.211 58.200 -0.017 0.000 1.008 514 S CB 1.145 64.356 63.200 0.018 0.000 1.026 514 S HN 1.944 nan 8.310 nan 0.000 0.541 515 V N -1.214 118.694 119.914 -0.010 0.000 3.074 515 V HA 0.821 4.942 4.120 0.001 0.000 0.314 515 V C 0.179 176.377 176.094 0.174 0.000 1.117 515 V CA -0.828 61.496 62.300 0.041 0.000 1.014 515 V CB 1.124 32.858 31.823 -0.149 0.000 1.057 515 V HN 1.225 nan 8.190 nan 0.000 0.438 516 S N 1.680 117.555 115.700 0.290 0.000 2.558 516 S HA 0.382 4.852 4.470 0.001 0.000 0.288 516 S C 1.327 176.097 174.600 0.285 0.000 1.318 516 S CA 0.149 58.505 58.200 0.260 0.000 1.056 516 S CB 0.982 64.333 63.200 0.253 0.000 0.853 516 S HN 1.949 nan 8.310 nan 0.000 0.505 517 A N 2.554 125.480 122.820 0.176 0.000 1.933 517 A HA -0.006 4.315 4.320 0.001 0.000 0.218 517 A C 1.230 178.890 177.584 0.126 0.000 1.175 517 A CA 1.184 53.316 52.037 0.159 0.000 0.628 517 A CB -0.398 18.664 19.000 0.104 0.000 0.814 517 A HN 0.860 nan 8.150 nan 0.000 0.444 518 K N 0.965 121.399 120.400 0.056 0.000 2.276 518 K HA 0.324 4.645 4.320 0.001 0.000 0.285 518 K C -2.859 173.580 176.600 -0.269 0.000 1.062 518 K CA -2.349 53.896 56.287 -0.071 0.000 0.918 518 K CB 0.651 33.118 32.500 -0.055 0.000 1.055 518 K HN -0.009 nan 8.250 nan 0.000 0.477 519 P HA -0.066 nan 4.420 nan 0.000 0.262 519 P C -1.222 175.465 177.300 -1.021 0.000 1.182 519 P CA 0.502 62.702 63.100 -1.501 0.000 0.761 519 P CB 0.396 31.343 31.700 -1.255 0.000 0.795 520 E N 2.573 122.051 120.200 -1.204 0.000 3.898 520 E HA 0.188 4.538 4.350 0.001 0.000 0.219 520 E C -0.478 176.079 176.600 -0.072 0.000 1.207 520 E CA -0.275 55.916 56.400 -0.348 0.000 1.240 520 E CB 0.261 29.936 29.700 -0.042 0.000 1.239 520 E HN 0.369 nan 8.360 nan 0.000 0.422 521 L N 2.254 123.415 121.223 -0.103 0.000 2.410 521 L HA 0.258 4.599 4.340 0.001 0.000 0.273 521 L C -1.915 175.060 176.870 0.176 0.000 1.152 521 L CA -1.646 53.269 54.840 0.126 0.000 0.855 521 L CB -0.091 41.992 42.059 0.040 0.000 1.129 521 L HN 0.033 nan 8.230 nan 0.000 0.463 522 P HA 0.191 nan 4.420 nan 0.000 0.272 522 P C -0.297 177.153 177.300 0.251 0.000 1.230 522 P CA -0.378 62.869 63.100 0.245 0.000 0.788 522 P CB 0.639 32.480 31.700 0.235 0.000 0.949 523 L N 0.575 121.917 121.223 0.199 0.000 2.543 523 L HA 0.370 4.711 4.340 0.001 0.000 0.231 523 L C 0.546 177.371 176.870 -0.075 0.000 1.194 523 L CA -0.611 54.224 54.840 -0.008 0.000 0.823 523 L CB 0.011 41.922 42.059 -0.246 0.000 1.374 523 L HN 0.290 nan 8.230 nan 0.000 0.507 524 F N 0.075 119.811 119.950 -0.358 0.000 2.408 524 F HA 0.443 4.971 4.527 0.001 0.000 0.344 524 F C -0.848 174.675 175.800 -0.462 0.000 1.112 524 F CA -0.371 57.466 58.000 -0.271 0.000 1.096 524 F CB 0.453 39.340 39.000 -0.190 0.000 1.129 524 F HN 0.047 nan 8.300 nan 0.000 0.486 525 Y N 2.484 122.438 120.300 -0.578 0.000 2.570 525 Y HA 0.635 5.186 4.550 0.001 0.000 0.345 525 Y C 0.240 175.821 175.900 -0.531 0.000 1.014 525 Y CA -0.728 57.135 58.100 -0.394 0.000 1.063 525 Y CB 2.232 40.566 38.460 -0.209 0.000 1.272 525 Y HN 0.678 nan 8.280 nan 0.000 0.477 526 T N -2.651 111.867 114.554 -0.060 0.000 2.812 526 T HA 0.391 4.742 4.350 0.001 0.000 0.294 526 T C -2.664 171.998 174.700 -0.062 0.000 1.159 526 T CA -2.355 59.706 62.100 -0.065 0.000 1.008 526 T CB 1.860 70.788 68.868 0.099 0.000 1.289 526 T HN 0.190 nan 8.240 nan 0.000 0.514 527 P HA -0.008 nan 4.420 nan 0.000 0.221 527 P C 1.665 178.815 177.300 -0.251 0.000 1.145 527 P CA 0.441 63.464 63.100 -0.128 0.000 0.795 527 P CB -0.137 31.534 31.700 -0.049 0.000 0.775 528 V N 0.480 120.083 119.914 -0.519 0.000 2.469 528 V HA -0.232 3.889 4.120 0.001 0.000 0.251 528 V C 1.696 177.673 176.094 -0.194 0.000 1.064 528 V CA 1.991 63.935 62.300 -0.594 0.000 1.066 528 V CB -1.181 30.018 31.823 -1.041 0.000 0.667 528 V HN 0.169 nan 8.190 nan 0.000 0.461 529 D N 0.087 120.463 120.400 -0.040 0.000 2.350 529 D HA -0.054 4.586 4.640 0.001 0.000 0.216 529 D C 1.792 178.128 176.300 0.060 0.000 0.968 529 D CA 0.881 54.934 54.000 0.087 0.000 0.894 529 D CB 0.010 40.939 40.800 0.216 0.000 0.909 529 D HN 0.401 nan 8.370 nan 0.000 0.520 530 L N 0.330 121.566 121.223 0.020 0.000 2.567 530 L HA 0.076 4.417 4.340 0.001 0.000 0.225 530 L C 0.561 177.455 176.870 0.041 0.000 1.119 530 L CA -0.100 54.755 54.840 0.025 0.000 0.871 530 L CB 0.289 42.356 42.059 0.014 0.000 1.036 530 L HN -0.231 nan 8.230 nan 0.000 0.459 531 V N 1.163 121.106 119.914 0.048 0.000 2.599 531 V HA -0.082 4.039 4.120 0.001 0.000 0.300 531 V C 0.349 176.478 176.094 0.060 0.000 1.034 531 V CA 0.113 62.452 62.300 0.066 0.000 1.115 531 V CB 0.744 32.615 31.823 0.080 0.000 0.934 531 V HN 0.128 nan 8.190 nan 0.000 0.485 532 D N 5.155 125.587 120.400 0.053 0.000 2.325 532 D HA 0.204 4.845 4.640 0.001 0.000 0.251 532 D C 0.563 176.895 176.300 0.052 0.000 1.196 532 D CA -0.294 53.736 54.000 0.049 0.000 0.866 532 D CB 1.061 41.883 40.800 0.038 0.000 1.101 532 D HN 0.596 nan 8.370 nan 0.000 0.476 533 I N 1.017 121.626 120.570 0.065 0.000 3.816 533 I HA 0.200 4.371 4.170 0.001 0.000 0.334 533 I C 0.397 176.549 176.117 0.057 0.000 1.551 533 I CA -0.727 60.611 61.300 0.063 0.000 1.153 533 I CB 0.115 38.176 38.000 0.100 0.000 1.197 533 I HN 0.068 nan 8.210 nan 0.000 0.439 534 S N 0.868 116.603 115.700 0.059 0.000 2.614 534 S HA 0.677 5.148 4.470 0.001 0.000 0.265 534 S C -0.293 174.338 174.600 0.052 0.000 1.303 534 S CA -0.457 57.788 58.200 0.074 0.000 1.000 534 S CB 2.457 65.699 63.200 0.071 0.000 0.935 534 S HN 0.303 nan 8.310 nan 0.000 0.551 535 V N 0.378 120.341 119.914 0.082 0.000 3.048 535 V HA 0.563 4.684 4.120 0.001 0.000 0.303 535 V C -1.472 174.697 176.094 0.125 0.000 1.214 535 V CA -0.675 61.651 62.300 0.043 0.000 0.984 535 V CB 2.014 33.802 31.823 -0.059 0.000 1.054 535 V HN 1.134 nan 8.190 nan 0.000 0.430 536 E N 5.626 125.873 120.200 0.079 0.000 2.166 536 E HA 0.678 5.029 4.350 0.001 0.000 0.275 536 E C -1.134 175.512 176.600 0.077 0.000 0.941 536 E CA -0.726 55.743 56.400 0.116 0.000 0.784 536 E CB 1.714 31.452 29.700 0.063 0.000 1.115 536 E HN 0.769 nan 8.360 nan 0.000 0.399 537 M N 3.687 123.376 119.600 0.147 0.000 2.277 537 M HA 0.406 4.887 4.480 0.001 0.000 0.282 537 M C -0.976 175.404 176.300 0.134 0.000 1.074 537 M CA -0.018 55.318 55.300 0.060 0.000 0.954 537 M CB 1.695 34.228 32.600 -0.112 0.000 1.672 537 M HN 0.749 nan 8.290 nan 0.000 0.471 538 A N 2.953 125.824 122.820 0.085 0.000 2.783 538 A HA -0.034 4.287 4.320 0.001 0.000 0.292 538 A C 1.166 178.809 177.584 0.098 0.000 1.495 538 A CA 1.711 53.818 52.037 0.117 0.000 0.787 538 A CB -2.623 16.537 19.000 0.267 0.000 1.017 538 A HN 2.511 nan 8.150 nan 0.000 0.516 539 G N -3.127 105.715 108.800 0.071 0.000 2.184 539 G HA2 -0.218 3.743 3.960 0.001 0.000 0.264 539 G HA3 -0.218 3.743 3.960 0.001 0.000 0.264 539 G C 0.079 174.999 174.900 0.035 0.000 0.975 539 G CA 0.643 45.770 45.100 0.045 0.000 0.642 539 G HN 1.487 nan 8.290 nan 0.000 0.536 540 L N -0.102 121.160 121.223 0.065 0.000 2.325 540 L HA 0.581 4.922 4.340 0.001 0.000 0.278 540 L C 0.369 177.212 176.870 -0.044 0.000 1.023 540 L CA -0.896 53.921 54.840 -0.040 0.000 0.811 540 L CB 1.630 43.634 42.059 -0.091 0.000 1.249 540 L HN -0.039 nan 8.230 nan 0.000 0.431 541 K N 2.849 123.145 120.400 -0.173 0.000 2.293 541 K HA 0.492 4.813 4.320 0.001 0.000 0.267 541 K C -1.391 175.078 176.600 -0.218 0.000 1.010 541 K CA -0.359 55.881 56.287 -0.079 0.000 0.875 541 K CB 1.244 33.715 32.500 -0.048 0.000 1.106 541 K HN 0.205 nan 8.250 nan 0.000 0.450 542 F N 3.271 123.208 119.950 -0.020 0.000 2.427 542 F HA 0.242 4.770 4.527 0.001 0.000 0.346 542 F C 1.663 177.480 175.800 0.030 0.000 1.120 542 F CA -1.059 56.947 58.000 0.009 0.000 1.033 542 F CB 0.787 39.780 39.000 -0.013 0.000 1.126 542 F HN 0.475 nan 8.300 nan 0.000 0.462 543 I N 0.116 120.794 120.570 0.180 0.000 2.493 543 I HA -0.047 4.123 4.170 0.001 0.000 0.254 543 I C -0.145 176.069 176.117 0.162 0.000 1.160 543 I CA 0.743 62.122 61.300 0.132 0.000 1.445 543 I CB -0.382 37.672 38.000 0.090 0.000 1.086 543 I HN 0.648 nan 8.210 nan 0.000 0.433 544 N N -0.601 118.235 118.700 0.228 0.000 2.591 544 N HA 0.363 5.104 4.740 0.001 0.000 0.263 544 N C -2.606 173.020 175.510 0.194 0.000 1.308 544 N CA -1.684 51.487 53.050 0.201 0.000 0.837 544 N CB 0.946 39.588 38.487 0.258 0.000 1.548 544 N HN -0.286 nan 8.380 nan 0.000 0.493 545 P HA 0.128 nan 4.420 nan 0.000 0.245 545 P C -0.874 176.306 177.300 -0.199 0.000 1.212 545 P CA 0.379 63.332 63.100 -0.246 0.000 0.774 545 P CB -0.178 31.239 31.700 -0.471 0.000 0.999 546 F N 0.854 120.940 119.950 0.226 0.000 2.408 546 F HA 0.643 5.171 4.527 0.001 0.000 0.344 546 F C 1.325 177.174 175.800 0.082 0.000 1.112 546 F CA -0.239 57.860 58.000 0.164 0.000 1.096 546 F CB 1.537 40.543 39.000 0.009 0.000 1.129 546 F HN -0.135 nan 8.300 nan 0.000 0.486 547 G N 2.415 111.135 108.800 -0.133 0.000 2.690 547 G HA2 0.627 4.588 3.960 0.001 0.000 0.291 547 G HA3 0.627 4.588 3.960 0.001 0.000 0.291 547 G C -1.813 172.819 174.900 -0.446 0.000 1.403 547 G CA -0.994 43.536 45.100 -0.950 0.000 0.864 547 G HN 0.524 nan 8.290 nan 0.000 0.480 548 L N 1.328 122.224 121.223 -0.546 0.000 2.290 548 L HA 0.548 4.889 4.340 0.001 0.000 0.284 548 L C 1.135 177.876 176.870 -0.215 0.000 1.078 548 L CA -0.648 53.911 54.840 -0.467 0.000 0.815 548 L CB 1.318 43.036 42.059 -0.568 0.000 1.162 548 L HN 0.693 nan 8.230 nan 0.000 0.435 549 A N 2.636 125.385 122.820 -0.119 0.000 2.327 549 A HA 0.210 4.530 4.320 0.001 0.000 0.255 549 A C 0.466 178.028 177.584 -0.036 0.000 1.099 549 A CA -0.268 51.753 52.037 -0.027 0.000 0.801 549 A CB 0.551 19.543 19.000 -0.014 0.000 1.062 549 A HN 0.630 nan 8.150 nan 0.000 0.496 550 S N -0.084 115.611 115.700 -0.009 0.000 2.437 550 S HA 0.502 4.973 4.470 0.001 0.000 0.304 550 S C 0.132 174.712 174.600 -0.033 0.000 1.167 550 S CA 0.460 58.640 58.200 -0.034 0.000 1.106 550 S CB -1.181 62.002 63.200 -0.029 0.000 1.099 550 S HN 1.830 nan 8.310 nan 0.000 0.524 551 A N 4.104 126.901 122.820 -0.038 0.000 2.809 551 A HA 0.791 5.112 4.320 0.001 0.000 0.310 551 A C 0.923 178.492 177.584 -0.026 0.000 1.138 551 A CA -0.081 51.936 52.037 -0.034 0.000 0.610 551 A CB -0.530 18.443 19.000 -0.046 0.000 1.432 551 A HN 1.142 nan 8.150 nan 0.000 0.597 552 A N -0.388 122.402 122.820 -0.049 0.000 1.917 552 A HA 0.040 4.361 4.320 0.001 0.000 0.219 552 A C -0.478 177.083 177.584 -0.037 0.000 1.182 552 A CA 2.637 54.643 52.037 -0.052 0.000 0.633 552 A CB -1.841 17.094 19.000 -0.107 0.000 0.819 552 A HN 0.480 nan 8.150 nan 0.000 0.448 553 P HA -0.050 nan 4.420 nan 0.000 0.228 553 P C 0.774 178.121 177.300 0.078 0.000 1.151 553 P CA 1.687 64.785 63.100 -0.003 0.000 0.770 553 P CB -0.079 31.615 31.700 -0.011 0.000 0.786 554 T N -6.692 107.887 114.554 0.043 0.000 3.293 554 T HA 0.180 4.531 4.350 0.001 0.000 0.276 554 T C 1.175 176.021 174.700 0.243 0.000 1.003 554 T CA -0.198 61.959 62.100 0.094 0.000 0.916 554 T CB -0.962 67.910 68.868 0.007 0.000 1.134 554 T HN -0.151 nan 8.240 nan 0.000 0.530 555 T N 2.224 116.890 114.554 0.188 0.000 2.759 555 T HA 0.011 4.362 4.350 0.001 0.000 0.269 555 T C 0.684 175.565 174.700 0.302 0.000 1.042 555 T CA 1.040 63.272 62.100 0.219 0.000 1.140 555 T CB -0.058 68.863 68.868 0.087 0.000 0.864 555 T HN 0.503 nan 8.240 nan 0.000 0.455 556 S N -0.054 115.783 115.700 0.227 0.000 2.548 556 S HA 0.353 4.824 4.470 0.001 0.000 0.286 556 S C 1.167 175.852 174.600 0.141 0.000 1.098 556 S CA -0.665 57.612 58.200 0.129 0.000 0.930 556 S CB 2.025 65.254 63.200 0.049 0.000 1.070 556 S HN 0.385 nan 8.310 nan 0.000 0.480 557 S N 1.417 117.120 115.700 0.004 0.000 2.442 557 S HA -0.141 4.330 4.470 0.001 0.000 0.236 557 S C 1.894 176.465 174.600 -0.048 0.000 1.007 557 S CA 1.287 59.468 58.200 -0.032 0.000 0.965 557 S CB -0.644 62.397 63.200 -0.265 0.000 0.773 557 S HN 0.792 nan 8.310 nan 0.000 0.504 558 S N 2.070 117.759 115.700 -0.017 0.000 2.419 558 S HA -0.013 4.458 4.470 0.001 0.000 0.233 558 S C 1.860 176.458 174.600 -0.003 0.000 1.016 558 S CA 1.148 59.345 58.200 -0.005 0.000 0.974 558 S CB -0.704 62.507 63.200 0.019 0.000 0.786 558 S HN 0.533 nan 8.310 nan 0.000 0.492 559 M N 0.885 120.500 119.600 0.025 0.000 2.156 559 M HA 0.168 4.648 4.480 0.001 0.000 0.264 559 M C 2.135 178.329 176.300 -0.176 0.000 1.067 559 M CA 1.268 56.624 55.300 0.093 0.000 1.131 559 M CB -0.544 32.175 32.600 0.197 0.000 1.368 559 M HN 0.262 nan 8.290 nan 0.000 0.416 560 I N -0.201 120.207 120.570 -0.269 0.000 2.286 560 I HA -0.301 3.870 4.170 0.001 0.000 0.248 560 I C 2.684 178.303 176.117 -0.830 0.000 1.115 560 I CA 1.244 62.167 61.300 -0.629 0.000 1.392 560 I CB -0.505 37.193 38.000 -0.503 0.000 1.065 560 I HN 0.326 nan 8.210 nan 0.000 0.418 561 R N 1.373 121.599 120.500 -0.457 0.000 2.083 561 R HA -0.175 4.166 4.340 0.001 0.000 0.237 561 R C 2.438 178.559 176.300 -0.299 0.000 1.137 561 R CA 1.575 57.471 56.100 -0.339 0.000 0.951 561 R CB -0.143 30.150 30.300 -0.012 0.000 0.851 561 R HN 0.260 nan 8.270 nan 0.000 0.434 562 R N -0.243 120.143 120.500 -0.191 0.000 2.115 562 R HA -0.047 4.294 4.340 0.001 0.000 0.230 562 R C 2.288 178.450 176.300 -0.231 0.000 1.111 562 R CA 1.108 57.159 56.100 -0.082 0.000 0.976 562 R CB -0.207 30.150 30.300 0.095 0.000 0.870 562 R HN 0.302 nan 8.270 nan 0.000 0.445 563 A N 0.813 123.228 122.820 -0.675 0.000 1.898 563 A HA -0.131 4.190 4.320 0.001 0.000 0.216 563 A C 1.738 179.253 177.584 -0.115 0.000 1.181 563 A CA 1.058 52.611 52.037 -0.806 0.000 0.620 563 A CB -0.449 17.646 19.000 -1.509 0.000 0.819 563 A HN 0.142 nan 8.150 nan 0.000 0.442 564 F N 0.441 120.165 119.950 -0.377 0.000 2.171 564 F HA -0.074 4.454 4.527 0.001 0.000 0.300 564 F C 2.340 178.018 175.800 -0.204 0.000 1.090 564 F CA 1.105 58.876 58.000 -0.381 0.000 1.293 564 F CB -1.045 37.349 39.000 -1.009 0.000 1.013 564 F HN 0.373 nan 8.300 nan 0.000 0.486 565 E N -0.214 120.003 120.200 0.027 0.000 2.153 565 E HA -0.139 4.212 4.350 0.001 0.000 0.194 565 E C 2.320 179.009 176.600 0.148 0.000 0.988 565 E CA 0.956 57.461 56.400 0.174 0.000 0.811 565 E CB -0.224 29.584 29.700 0.180 0.000 0.746 565 E HN 0.302 nan 8.360 nan 0.000 0.466 566 A N -0.031 122.870 122.820 0.135 0.000 2.014 566 A HA 0.109 4.430 4.320 0.001 0.000 0.218 566 A C 1.858 179.500 177.584 0.096 0.000 1.163 566 A CA 1.326 53.447 52.037 0.141 0.000 0.652 566 A CB -0.061 19.071 19.000 0.221 0.000 0.808 566 A HN 0.379 nan 8.150 nan 0.000 0.449 567 G N -3.712 105.170 108.800 0.136 0.000 2.227 567 G HA2 -0.168 3.793 3.960 0.001 0.000 0.168 567 G HA3 -0.168 3.793 3.960 0.001 0.000 0.168 567 G C -0.228 174.721 174.900 0.081 0.000 1.006 567 G CA -0.348 44.797 45.100 0.075 0.000 0.684 567 G HN 0.298 nan 8.290 nan 0.000 0.489 568 W N 1.086 122.430 121.300 0.073 0.000 2.223 568 W HA 0.458 5.119 4.660 0.001 0.000 0.334 568 W C 1.592 178.209 176.519 0.164 0.000 1.334 568 W CA 1.103 58.516 57.345 0.112 0.000 1.246 568 W CB 0.908 30.392 29.460 0.039 0.000 1.184 568 W HN 0.200 nan 8.180 nan 0.000 0.563 569 G N 2.551 111.596 108.800 0.407 0.000 2.408 569 G HA2 -0.005 3.956 3.960 0.001 0.000 0.217 569 G HA3 -0.005 3.956 3.960 0.001 0.000 0.217 569 G C -0.155 175.041 174.900 0.493 0.000 1.150 569 G CA 0.890 46.232 45.100 0.404 0.000 0.776 569 G HN 0.511 nan 8.290 nan 0.000 0.542 570 F N -2.461 117.757 119.950 0.447 0.000 2.779 570 F HA 0.809 5.337 4.527 0.001 0.000 0.316 570 F C -0.743 175.363 175.800 0.510 0.000 1.164 570 F CA -1.506 56.757 58.000 0.439 0.000 0.924 570 F CB 1.204 40.484 39.000 0.467 0.000 1.348 570 F HN 0.259 nan 8.300 nan 0.000 0.467 571 A N 1.701 124.863 122.820 0.569 0.000 2.589 571 A HA 0.684 5.005 4.320 0.001 0.000 0.296 571 A C -2.368 175.379 177.584 0.271 0.000 1.062 571 A CA -0.733 51.417 52.037 0.188 0.000 0.686 571 A CB 1.631 20.578 19.000 -0.089 0.000 1.282 571 A HN 0.799 nan 8.150 nan 0.000 0.404 572 L N 2.137 123.442 121.223 0.136 0.000 2.322 572 L HA 0.583 4.924 4.340 0.001 0.000 0.279 572 L C 1.157 178.023 176.870 -0.007 0.000 1.036 572 L CA -0.030 54.882 54.840 0.120 0.000 0.807 572 L CB 1.546 43.667 42.059 0.103 0.000 1.226 572 L HN 1.059 nan 8.230 nan 0.000 0.433 573 T N -0.069 114.444 114.554 -0.068 0.000 2.828 573 T HA 0.241 4.592 4.350 0.001 0.000 0.290 573 T C 0.144 174.580 174.700 -0.441 0.000 1.019 573 T CA -0.733 61.144 62.100 -0.372 0.000 1.031 573 T CB 1.260 69.792 68.868 -0.560 0.000 1.001 573 T HN 0.397 nan 8.240 nan 0.000 0.531 574 K N 1.195 121.205 120.400 -0.650 0.000 2.355 574 K HA 0.169 4.490 4.320 0.001 0.000 0.270 574 K C -0.029 176.350 176.600 -0.369 0.000 1.003 574 K CA 0.089 56.193 56.287 -0.305 0.000 0.957 574 K CB -0.293 32.184 32.500 -0.040 0.000 0.939 574 K HN 0.719 nan 8.250 nan 0.000 0.482 575 T N 5.393 119.838 114.554 -0.181 0.000 2.871 575 T HA 0.188 4.539 4.350 0.001 0.000 0.296 575 T C -0.171 174.465 174.700 -0.108 0.000 0.998 575 T CA 0.410 62.401 62.100 -0.181 0.000 1.162 575 T CB -0.598 68.210 68.868 -0.100 0.000 0.947 575 T HN 0.449 nan 8.240 nan 0.000 0.536 576 F N 0.479 120.300 119.950 -0.216 0.000 2.618 576 F HA 0.886 5.414 4.527 0.001 0.000 0.332 576 F C 0.123 175.887 175.800 -0.060 0.000 1.061 576 F CA -1.269 56.673 58.000 -0.096 0.000 0.974 576 F CB 1.345 40.320 39.000 -0.042 0.000 1.310 576 F HN 0.563 nan 8.300 nan 0.000 0.491 577 S N 0.425 116.254 115.700 0.216 0.000 2.776 577 S HA 0.680 5.151 4.470 0.001 0.000 0.292 577 S C -1.053 173.620 174.600 0.122 0.000 1.187 577 S CA -1.161 57.060 58.200 0.035 0.000 0.834 577 S CB 0.999 64.165 63.200 -0.057 0.000 1.199 577 S HN 0.854 nan 8.310 nan 0.000 0.514 578 L N 1.504 122.734 121.223 0.012 0.000 2.473 578 L HA 0.234 4.575 4.340 0.001 0.000 0.268 578 L C 1.004 177.894 176.870 0.033 0.000 1.215 578 L CA -0.422 54.434 54.840 0.026 0.000 0.823 578 L CB 0.072 42.110 42.059 -0.035 0.000 1.099 578 L HN 0.712 nan 8.230 nan 0.000 0.483 579 D N 0.638 121.059 120.400 0.036 0.000 2.133 579 D HA -0.205 4.436 4.640 0.001 0.000 0.195 579 D C 1.895 178.202 176.300 0.011 0.000 0.997 579 D CA 1.675 55.692 54.000 0.028 0.000 0.840 579 D CB -0.026 40.786 40.800 0.021 0.000 0.947 579 D HN 0.549 nan 8.370 nan 0.000 0.452 580 K N 0.183 120.582 120.400 -0.002 0.000 2.360 580 K HA -0.097 4.224 4.320 0.001 0.000 0.201 580 K C 0.312 176.905 176.600 -0.011 0.000 1.046 580 K CA 1.131 57.413 56.287 -0.009 0.000 0.945 580 K CB 0.130 32.619 32.500 -0.018 0.000 0.750 580 K HN 0.010 nan 8.250 nan 0.000 0.464 581 D N 1.269 121.661 120.400 -0.013 0.000 2.427 581 D HA 0.119 4.759 4.640 0.001 0.000 0.224 581 D C 0.272 176.573 176.300 0.001 0.000 1.157 581 D CA -0.263 53.727 54.000 -0.016 0.000 0.828 581 D CB 0.054 40.828 40.800 -0.043 0.000 0.974 581 D HN 0.280 nan 8.370 nan 0.000 0.498 582 I N 1.854 122.430 120.570 0.011 0.000 2.880 582 I HA -0.100 4.071 4.170 0.001 0.000 0.296 582 I C 0.107 176.231 176.117 0.012 0.000 1.220 582 I CA 0.127 61.438 61.300 0.020 0.000 1.435 582 I CB 0.463 38.472 38.000 0.015 0.000 1.339 582 I HN -0.204 nan 8.210 nan 0.000 0.583 583 V N 3.494 123.418 119.914 0.017 0.000 3.113 583 V HA 0.731 4.852 4.120 0.001 0.000 0.316 583 V C -0.392 175.705 176.094 0.005 0.000 1.125 583 V CA -0.427 61.879 62.300 0.009 0.000 1.026 583 V CB 1.945 33.775 31.823 0.012 0.000 1.080 583 V HN 0.751 nan 8.190 nan 0.000 0.444 584 T N 2.501 117.055 114.554 -0.001 0.000 2.937 584 T HA 0.459 4.810 4.350 0.001 0.000 0.297 584 T C -0.537 174.157 174.700 -0.010 0.000 0.991 584 T CA -0.431 61.665 62.100 -0.006 0.000 0.990 584 T CB 0.966 69.829 68.868 -0.009 0.000 0.991 584 T HN 0.821 nan 8.240 nan 0.000 0.440 585 N N 1.589 120.282 118.700 -0.012 0.000 2.424 585 N HA 0.480 5.221 4.740 0.001 0.000 0.257 585 N C 0.275 175.771 175.510 -0.023 0.000 1.250 585 N CA -0.309 52.731 53.050 -0.017 0.000 0.946 585 N CB 1.245 39.721 38.487 -0.018 0.000 1.175 585 N HN 0.535 nan 8.380 nan 0.000 0.477 586 V N -2.013 117.882 119.914 -0.031 0.000 3.177 586 V HA 0.889 5.010 4.120 0.001 0.000 0.319 586 V C -0.044 176.023 176.094 -0.045 0.000 1.125 586 V CA -0.795 61.484 62.300 -0.035 0.000 1.029 586 V CB 1.533 33.331 31.823 -0.042 0.000 1.119 586 V HN 0.780 nan 8.190 nan 0.000 0.452 587 S N 0.281 115.954 115.700 -0.046 0.000 2.536 587 S HA 0.726 5.196 4.470 0.001 0.000 0.271 587 S C -2.907 171.657 174.600 -0.060 0.000 1.134 587 S CA -1.015 57.152 58.200 -0.055 0.000 0.897 587 S CB 1.459 64.641 63.200 -0.029 0.000 1.094 587 S HN 1.041 nan 8.310 nan 0.000 0.473 588 P HA 0.401 nan 4.420 nan 0.000 0.272 588 P C -0.202 176.973 177.300 -0.209 0.000 1.230 588 P CA -0.557 62.441 63.100 -0.171 0.000 0.788 588 P CB 0.696 32.206 31.700 -0.317 0.000 0.949 589 R N 0.204 120.600 120.500 -0.174 0.000 2.551 589 R HA 0.411 4.751 4.340 0.001 0.000 0.316 589 R C 0.049 176.275 176.300 -0.124 0.000 0.934 589 R CA -0.187 55.826 56.100 -0.146 0.000 1.117 589 R CB 0.179 30.426 30.300 -0.089 0.000 1.626 589 R HN 0.278 nan 8.270 nan 0.000 0.513 590 I N 2.691 123.194 120.570 -0.112 0.000 2.478 590 I HA 0.400 4.571 4.170 0.001 0.000 0.287 590 I C -0.566 175.553 176.117 0.004 0.000 1.042 590 I CA -1.422 59.853 61.300 -0.041 0.000 1.067 590 I CB 2.331 40.310 38.000 -0.035 0.000 1.233 590 I HN -0.054 nan 8.210 nan 0.000 0.431 591 V N 3.069 123.016 119.914 0.055 0.000 3.001 591 V HA 0.685 4.806 4.120 0.001 0.000 0.314 591 V C -0.183 176.065 176.094 0.257 0.000 1.099 591 V CA -1.071 61.312 62.300 0.137 0.000 0.989 591 V CB 1.879 33.667 31.823 -0.059 0.000 1.040 591 V HN 0.883 nan 8.190 nan 0.000 0.434 592 R N 1.857 122.496 120.500 0.231 0.000 2.641 592 R HA 0.637 4.978 4.340 0.001 0.000 0.269 592 R C 0.364 176.624 176.300 -0.066 0.000 1.074 592 R CA 0.165 56.253 56.100 -0.020 0.000 1.133 592 R CB 0.365 30.653 30.300 -0.020 0.000 1.029 592 R HN 1.163 nan 8.270 nan 0.000 0.488 593 G N -0.211 108.445 108.800 -0.241 0.000 2.476 593 G HA2 0.241 4.201 3.960 0.001 0.000 0.269 593 G HA3 0.241 4.201 3.960 0.001 0.000 0.269 593 G C 0.443 175.268 174.900 -0.124 0.000 1.195 593 G CA -0.475 44.541 45.100 -0.140 0.000 0.843 593 G HN 0.759 nan 8.290 nan 0.000 0.545 594 T N -2.641 111.873 114.554 -0.068 0.000 3.134 594 T HA 0.053 4.404 4.350 0.001 0.000 0.260 594 T C 1.896 176.555 174.700 -0.069 0.000 1.027 594 T CA 0.615 62.672 62.100 -0.071 0.000 0.913 594 T CB -0.018 68.839 68.868 -0.018 0.000 1.046 594 T HN 0.552 nan 8.240 nan 0.000 0.553 595 T N 0.304 114.816 114.554 -0.070 0.000 3.025 595 T HA -0.033 4.318 4.350 0.001 0.000 0.270 595 T C 1.476 176.140 174.700 -0.060 0.000 1.126 595 T CA 0.893 62.961 62.100 -0.054 0.000 1.105 595 T CB -0.513 68.328 68.868 -0.045 0.000 0.884 595 T HN 0.577 nan 8.240 nan 0.000 0.522 596 S N -0.569 115.080 115.700 -0.085 0.000 2.977 596 S HA 0.613 5.084 4.470 0.001 0.000 0.250 596 S C 0.819 175.362 174.600 -0.094 0.000 1.005 596 S CA -0.234 57.919 58.200 -0.079 0.000 1.081 596 S CB -0.027 63.127 63.200 -0.077 0.000 1.018 596 S HN 1.223 nan 8.310 nan 0.000 0.539 597 G N 2.813 111.555 108.800 -0.097 0.000 2.760 597 G HA2 -0.108 3.852 3.960 0.001 0.000 0.246 597 G HA3 -0.108 3.852 3.960 0.001 0.000 0.246 597 G C -2.758 172.040 174.900 -0.171 0.000 1.359 597 G CA -0.471 44.569 45.100 -0.100 0.000 0.861 597 G HN 0.347 nan 8.290 nan 0.000 0.541 598 P HA 0.290 nan 4.420 nan 0.000 0.232 598 P C -0.152 177.014 177.300 -0.225 0.000 1.738 598 P CA 0.249 63.239 63.100 -0.183 0.000 0.948 598 P CB -0.871 30.862 31.700 0.055 0.000 1.943 599 M N 0.227 119.592 119.600 -0.392 0.000 2.125 599 M HA 0.517 4.998 4.480 0.001 0.000 0.321 599 M C -0.969 175.101 176.300 -0.383 0.000 0.983 599 M CA -0.855 54.313 55.300 -0.220 0.000 0.934 599 M CB 1.222 33.754 32.600 -0.114 0.000 1.542 599 M HN -0.215 nan 8.290 nan 0.000 0.424 600 Y N 1.498 121.785 120.300 -0.022 0.000 2.534 600 Y HA 0.951 5.502 4.550 0.001 0.000 0.329 600 Y C 1.159 177.055 175.900 -0.008 0.000 1.154 600 Y CA 0.189 58.280 58.100 -0.015 0.000 1.192 600 Y CB 1.596 40.049 38.460 -0.012 0.000 1.275 600 Y HN 1.098 nan 8.280 nan 0.000 0.491 601 G N 0.422 109.318 108.800 0.161 0.000 2.475 601 G HA2 -0.153 3.808 3.960 0.001 0.000 0.223 601 G HA3 -0.153 3.808 3.960 0.001 0.000 0.223 601 G C -2.776 172.164 174.900 0.065 0.000 1.201 601 G CA -0.856 44.304 45.100 0.100 0.000 0.962 601 G HN 0.607 nan 8.290 nan 0.000 0.586 602 P HA 0.373 nan 4.420 nan 0.000 0.269 602 P C 0.855 178.174 177.300 0.031 0.000 1.215 602 P CA 1.899 65.026 63.100 0.046 0.000 0.780 602 P CB 0.300 32.020 31.700 0.033 0.000 0.898 603 G N 0.817 109.645 108.800 0.047 0.000 2.295 603 G HA2 -0.204 3.756 3.960 0.001 0.000 0.287 603 G HA3 -0.204 3.756 3.960 0.001 0.000 0.287 603 G C 0.156 175.041 174.900 -0.025 0.000 1.055 603 G CA -0.297 44.822 45.100 0.032 0.000 0.922 603 G HN 0.602 nan 8.290 nan 0.000 0.503 604 Q N 0.160 119.918 119.800 -0.070 0.000 2.300 604 Q HA 0.242 4.583 4.340 0.001 0.000 0.280 604 Q C 1.855 177.727 176.000 -0.212 0.000 1.033 604 Q CA 0.749 56.409 55.803 -0.238 0.000 0.903 604 Q CB 0.939 29.358 28.738 -0.533 0.000 1.195 604 Q HN 0.738 nan 8.270 nan 0.000 0.386 605 S N 0.442 116.031 115.700 -0.186 0.000 2.515 605 S HA 0.013 4.483 4.470 0.001 0.000 0.231 605 S C 0.641 175.177 174.600 -0.106 0.000 0.987 605 S CA 0.446 58.582 58.200 -0.107 0.000 0.936 605 S CB 0.026 63.177 63.200 -0.081 0.000 0.766 605 S HN 0.647 nan 8.310 nan 0.000 0.528 606 S N -1.083 114.475 115.700 -0.237 0.000 2.656 606 S HA 0.707 5.178 4.470 0.001 0.000 0.265 606 S C -1.595 172.762 174.600 -0.405 0.000 1.110 606 S CA -1.168 56.938 58.200 -0.156 0.000 0.821 606 S CB 0.182 63.351 63.200 -0.051 0.000 1.099 606 S HN 0.172 nan 8.310 nan 0.000 0.471 607 F N -0.064 119.900 119.950 0.023 0.000 2.626 607 F HA 0.813 5.340 4.527 0.001 0.000 0.311 607 F C -0.763 175.046 175.800 0.015 0.000 1.088 607 F CA -0.877 57.136 58.000 0.021 0.000 0.949 607 F CB 2.052 41.062 39.000 0.017 0.000 1.322 607 F HN 0.783 nan 8.300 nan 0.000 0.461 608 L N 2.649 123.994 121.223 0.204 0.000 2.386 608 L HA 0.654 4.994 4.340 0.001 0.000 0.271 608 L C -1.458 175.455 176.870 0.070 0.000 0.993 608 L CA -0.298 54.605 54.840 0.106 0.000 0.819 608 L CB 1.796 43.892 42.059 0.062 0.000 1.294 608 L HN 0.845 nan 8.230 nan 0.000 0.414 609 N N 3.607 122.331 118.700 0.041 0.000 2.284 609 N HA 0.547 5.288 4.740 0.001 0.000 0.289 609 N C -0.585 174.919 175.510 -0.009 0.000 1.179 609 N CA -0.878 52.172 53.050 0.000 0.000 0.774 609 N CB 1.756 40.241 38.487 -0.002 0.000 1.548 609 N HN 0.617 nan 8.380 nan 0.000 0.473 610 I N -2.989 117.561 120.570 -0.035 0.000 3.326 610 I HA 0.426 4.596 4.170 0.001 0.000 0.336 610 I C -0.096 176.003 176.117 -0.030 0.000 1.543 610 I CA -0.621 60.661 61.300 -0.030 0.000 1.013 610 I CB 0.134 38.102 38.000 -0.052 0.000 1.468 610 I HN 0.558 nan 8.210 nan 0.000 0.515 611 E N 1.893 122.078 120.200 -0.024 0.000 2.349 611 E HA 0.490 4.841 4.350 0.001 0.000 0.265 611 E C -0.577 176.018 176.600 -0.008 0.000 1.064 611 E CA -0.472 55.916 56.400 -0.020 0.000 0.886 611 E CB 1.286 30.973 29.700 -0.021 0.000 1.036 611 E HN 0.453 nan 8.360 nan 0.000 0.413 612 L N 3.416 124.637 121.223 -0.004 0.000 2.751 612 L HA 0.444 4.785 4.340 0.001 0.000 0.241 612 L C 0.953 177.829 176.870 0.011 0.000 1.146 612 L CA -1.123 53.719 54.840 0.004 0.000 0.879 612 L CB 0.220 42.281 42.059 0.003 0.000 1.687 612 L HN 0.619 nan 8.230 nan 0.000 0.527 613 I N -2.329 118.250 120.570 0.015 0.000 3.433 613 I HA 0.138 4.309 4.170 0.001 0.000 0.265 613 I C 0.807 176.958 176.117 0.056 0.000 1.186 613 I CA -0.327 60.986 61.300 0.023 0.000 1.008 613 I CB 0.414 38.421 38.000 0.012 0.000 1.552 613 I HN 0.444 nan 8.210 nan 0.000 0.790 614 S N 0.238 115.997 115.700 0.098 0.000 2.558 614 S HA -0.020 4.451 4.470 0.001 0.000 0.293 614 S C 0.780 175.475 174.600 0.158 0.000 1.292 614 S CA -0.018 58.297 58.200 0.192 0.000 1.063 614 S CB 0.093 63.530 63.200 0.396 0.000 0.831 614 S HN 0.716 nan 8.310 nan 0.000 0.499 615 E N 2.346 122.610 120.200 0.108 0.000 2.478 615 E HA 0.063 4.414 4.350 0.001 0.000 0.194 615 E C 0.055 176.664 176.600 0.016 0.000 1.045 615 E CA 0.310 56.737 56.400 0.044 0.000 0.868 615 E CB 0.286 29.986 29.700 0.000 0.000 0.885 615 E HN 0.531 nan 8.360 nan 0.000 0.505 616 K N 1.638 122.064 120.400 0.043 0.000 2.144 616 K HA 0.125 4.446 4.320 0.001 0.000 0.270 616 K C 0.331 176.978 176.600 0.078 0.000 1.005 616 K CA -0.255 55.953 56.287 -0.132 0.000 0.932 616 K CB 1.175 33.323 32.500 -0.586 0.000 1.021 616 K HN -0.016 nan 8.250 nan 0.000 0.462 617 T N -1.322 113.232 114.554 0.000 0.000 2.860 617 T HA 0.132 4.483 4.350 0.001 0.000 0.299 617 T C 1.347 176.136 174.700 0.148 0.000 1.045 617 T CA -0.248 61.908 62.100 0.095 0.000 1.071 617 T CB 1.262 70.153 68.868 0.039 0.000 0.985 617 T HN 0.586 nan 8.240 nan 0.000 0.537 618 A N 1.570 124.477 122.820 0.145 0.000 1.972 618 A HA 0.178 4.499 4.320 0.001 0.000 0.219 618 A C 2.649 180.202 177.584 -0.051 0.000 1.169 618 A CA 1.727 53.791 52.037 0.044 0.000 0.635 618 A CB -1.493 17.649 19.000 0.238 0.000 0.810 618 A HN 1.253 nan 8.150 nan 0.000 0.446 619 A N -1.158 121.669 122.820 0.012 0.000 1.902 619 A HA -0.124 4.197 4.320 0.001 0.000 0.217 619 A C 2.139 179.694 177.584 -0.048 0.000 1.181 619 A CA 1.674 53.705 52.037 -0.009 0.000 0.623 619 A CB -0.863 18.141 19.000 0.008 0.000 0.818 619 A HN 0.808 nan 8.150 nan 0.000 0.443 620 Y N -1.224 118.958 120.300 -0.197 0.000 2.145 620 Y HA -0.259 4.292 4.550 0.001 0.000 0.286 620 Y C 2.147 177.808 175.900 -0.398 0.000 1.145 620 Y CA 1.946 59.856 58.100 -0.317 0.000 1.148 620 Y CB -0.527 37.675 38.460 -0.431 0.000 0.981 620 Y HN 0.428 nan 8.280 nan 0.000 0.507 621 W N -0.679 120.479 121.300 -0.237 0.000 2.381 621 W HA -0.177 4.484 4.660 0.001 0.000 0.301 621 W C 2.679 178.938 176.519 -0.433 0.000 1.205 621 W CA 1.282 58.337 57.345 -0.483 0.000 1.285 621 W CB -0.774 28.085 29.460 -1.003 0.000 1.133 621 W HN 0.103 nan 8.180 nan 0.000 0.521 622 C N -1.120 118.085 119.300 -0.159 0.000 2.440 622 C HA -0.189 4.272 4.460 0.001 0.000 0.278 622 C C 2.613 177.569 174.990 -0.056 0.000 1.295 622 C CA 1.207 60.198 59.018 -0.045 0.000 1.738 622 C CB -1.263 26.476 27.740 -0.001 0.000 1.987 622 C HN 0.429 nan 8.230 nan 0.000 0.492 623 Q N 0.765 120.490 119.800 -0.125 0.000 2.119 623 Q HA -0.151 4.190 4.340 0.001 0.000 0.201 623 Q C 2.195 178.098 176.000 -0.162 0.000 0.972 623 Q CA 1.638 57.364 55.803 -0.127 0.000 0.847 623 Q CB -0.047 28.601 28.738 -0.150 0.000 0.903 623 Q HN 0.616 nan 8.270 nan 0.000 0.433 624 S N -0.286 115.241 115.700 -0.289 0.000 2.368 624 S HA -0.113 4.358 4.470 0.001 0.000 0.225 624 S C 1.915 176.485 174.600 -0.052 0.000 1.030 624 S CA 1.200 59.230 58.200 -0.284 0.000 0.999 624 S CB -0.132 62.729 63.200 -0.565 0.000 0.844 624 S HN 0.246 nan 8.310 nan 0.000 0.459 625 V N 1.720 121.652 119.914 0.031 0.000 2.343 625 V HA -0.173 3.948 4.120 0.001 0.000 0.247 625 V C 2.501 178.652 176.094 0.096 0.000 1.051 625 V CA 2.038 64.409 62.300 0.119 0.000 1.036 625 V CB -1.301 30.616 31.823 0.157 0.000 0.654 625 V HN 0.502 nan 8.190 nan 0.000 0.451 626 T N -0.278 114.305 114.554 0.050 0.000 2.708 626 T HA -0.220 4.131 4.350 0.001 0.000 0.266 626 T C 1.796 176.524 174.700 0.046 0.000 1.037 626 T CA 1.835 63.960 62.100 0.043 0.000 1.146 626 T CB -0.238 68.639 68.868 0.015 0.000 0.865 626 T HN 0.608 nan 8.240 nan 0.000 0.435 627 E N 0.777 120.993 120.200 0.027 0.000 2.031 627 E HA -0.064 4.287 4.350 0.001 0.000 0.193 627 E C 2.293 178.961 176.600 0.113 0.000 0.994 627 E CA 0.935 57.357 56.400 0.037 0.000 0.800 627 E CB -0.334 29.363 29.700 -0.004 0.000 0.752 627 E HN 0.388 nan 8.360 nan 0.000 0.447 628 L N 0.964 122.288 121.223 0.169 0.000 2.042 628 L HA -0.203 4.138 4.340 0.001 0.000 0.210 628 L C 2.444 179.536 176.870 0.371 0.000 1.076 628 L CA 1.056 56.102 54.840 0.344 0.000 0.749 628 L CB -0.372 41.875 42.059 0.314 0.000 0.893 628 L HN 0.036 nan 8.230 nan 0.000 0.432 629 K N -0.029 120.508 120.400 0.230 0.000 2.211 629 K HA -0.049 4.272 4.320 0.001 0.000 0.203 629 K C 2.110 178.772 176.600 0.103 0.000 1.050 629 K CA 1.214 57.602 56.287 0.168 0.000 0.945 629 K CB -0.132 32.439 32.500 0.119 0.000 0.732 629 K HN 0.285 nan 8.250 nan 0.000 0.451 630 A N 1.613 124.479 122.820 0.076 0.000 1.929 630 A HA -0.131 4.190 4.320 0.001 0.000 0.216 630 A C 1.531 179.093 177.584 -0.037 0.000 1.176 630 A CA 1.505 53.552 52.037 0.017 0.000 0.628 630 A CB -0.093 18.912 19.000 0.008 0.000 0.816 630 A HN 0.138 nan 8.150 nan 0.000 0.444 631 D N -1.581 118.787 120.400 -0.055 0.000 2.271 631 D HA 0.108 4.748 4.640 0.001 0.000 0.206 631 D C -0.470 175.454 176.300 -0.627 0.000 0.967 631 D CA 0.737 54.538 54.000 -0.331 0.000 0.867 631 D CB 0.051 40.617 40.800 -0.391 0.000 0.960 631 D HN 0.433 nan 8.370 nan 0.000 0.509 632 F N 0.704 120.688 119.950 0.058 0.000 2.584 632 F HA 0.256 4.784 4.527 0.001 0.000 0.328 632 F C -1.669 174.095 175.800 -0.060 0.000 1.407 632 F CA -1.729 56.271 58.000 -0.001 0.000 1.145 632 F CB 1.640 40.650 39.000 0.015 0.000 1.440 632 F HN -0.200 nan 8.300 nan 0.000 0.580 633 P HA -0.160 nan 4.420 nan 0.000 0.219 633 P C 0.535 177.824 177.300 -0.018 0.000 1.146 633 P CA 1.506 64.614 63.100 0.014 0.000 0.808 633 P CB 0.486 32.182 31.700 -0.007 0.000 0.779 634 D N -0.786 119.600 120.400 -0.023 0.000 2.354 634 D HA 0.028 4.669 4.640 0.001 0.000 0.209 634 D C 0.180 176.405 176.300 -0.125 0.000 1.015 634 D CA 0.373 54.339 54.000 -0.057 0.000 0.867 634 D CB -0.344 40.442 40.800 -0.024 0.000 0.933 634 D HN 0.273 nan 8.370 nan 0.000 0.520 635 N N 0.882 119.454 118.700 -0.214 0.000 2.434 635 N HA 0.152 4.893 4.740 0.001 0.000 0.272 635 N C -0.151 175.166 175.510 -0.321 0.000 1.040 635 N CA -0.383 52.386 53.050 -0.469 0.000 0.956 635 N CB 1.541 39.223 38.487 -1.342 0.000 1.108 635 N HN -0.118 nan 8.380 nan 0.000 0.481 636 I N 2.362 122.829 120.570 -0.173 0.000 2.496 636 I HA 0.115 4.285 4.170 0.001 0.000 0.285 636 I C -0.071 176.180 176.117 0.223 0.000 1.080 636 I CA -0.260 61.003 61.300 -0.062 0.000 1.404 636 I CB 0.393 38.200 38.000 -0.322 0.000 1.403 636 I HN 0.209 nan 8.210 nan 0.000 0.539 637 V N 8.159 128.206 119.914 0.222 0.000 2.409 637 V HA 0.453 4.574 4.120 0.001 0.000 0.291 637 V C 0.151 176.400 176.094 0.259 0.000 1.020 637 V CA -0.541 61.954 62.300 0.326 0.000 0.848 637 V CB 1.967 33.980 31.823 0.317 0.000 0.990 637 V HN 0.417 nan 8.190 nan 0.000 0.430 638 I N 4.073 124.818 120.570 0.292 0.000 2.362 638 I HA 0.636 4.807 4.170 0.001 0.000 0.289 638 I C 0.490 176.730 176.117 0.204 0.000 0.994 638 I CA -0.625 60.828 61.300 0.256 0.000 1.158 638 I CB 1.854 40.047 38.000 0.321 0.000 1.315 638 I HN 0.646 nan 8.210 nan 0.000 0.451 639 A N 4.722 127.649 122.820 0.178 0.000 2.302 639 A HA 0.418 4.739 4.320 0.001 0.000 0.295 639 A C 0.127 177.715 177.584 0.006 0.000 1.235 639 A CA -0.195 51.936 52.037 0.157 0.000 0.876 639 A CB 0.603 19.753 19.000 0.250 0.000 1.133 639 A HN 0.658 nan 8.150 nan 0.000 0.533 640 S N 2.771 118.414 115.700 -0.095 0.000 2.475 640 S HA 0.639 5.110 4.470 0.001 0.000 0.281 640 S C -0.155 174.181 174.600 -0.441 0.000 1.198 640 S CA -0.540 57.567 58.200 -0.154 0.000 1.063 640 S CB -0.380 62.757 63.200 -0.105 0.000 0.972 640 S HN 0.813 nan 8.310 nan 0.000 0.486 641 I N 2.226 122.599 120.570 -0.328 0.000 2.934 641 I HA 0.718 4.889 4.170 0.001 0.000 0.306 641 I C -0.935 175.053 176.117 -0.214 0.000 1.110 641 I CA -1.190 59.822 61.300 -0.480 0.000 1.019 641 I CB 2.321 40.036 38.000 -0.475 0.000 1.227 641 I HN 0.659 nan 8.210 nan 0.000 0.434 642 M N 4.172 123.550 119.600 -0.369 0.000 2.371 642 M HA 0.676 5.157 4.480 0.001 0.000 0.287 642 M C -2.077 173.811 176.300 -0.686 0.000 1.149 642 M CA -0.039 55.027 55.300 -0.390 0.000 0.929 642 M CB 1.993 34.510 32.600 -0.138 0.000 1.683 642 M HN 0.952 nan 8.290 nan 0.000 0.470 643 C N 0.809 119.444 119.300 -1.108 0.000 3.080 643 C HA 0.782 5.243 4.460 0.001 0.000 0.307 643 C C 0.330 175.093 174.990 -0.378 0.000 1.311 643 C CA -0.678 57.773 59.018 -0.946 0.000 1.533 643 C CB 2.282 29.014 27.740 -1.681 0.000 1.970 643 C HN 0.982 nan 8.230 nan 0.000 0.467 644 S N 0.086 115.692 115.700 -0.157 0.000 2.641 644 S HA 0.267 4.738 4.470 0.001 0.000 0.261 644 S C -0.466 174.339 174.600 0.342 0.000 1.257 644 S CA -0.135 58.130 58.200 0.109 0.000 0.983 644 S CB -0.002 63.242 63.200 0.073 0.000 0.990 644 S HN 0.733 nan 8.310 nan 0.000 0.572 645 Y N 2.646 123.139 120.300 0.322 0.000 2.518 645 Y HA 0.298 4.848 4.550 0.001 0.000 0.337 645 Y C 0.178 176.315 175.900 0.397 0.000 1.261 645 Y CA -0.346 58.048 58.100 0.489 0.000 1.856 645 Y CB -0.896 37.789 38.460 0.375 0.000 1.798 645 Y HN 0.739 nan 8.280 nan 0.000 0.440 646 N N 4.163 122.956 118.700 0.155 0.000 2.454 646 N HA 0.096 4.836 4.740 0.001 0.000 0.291 646 N C 0.420 175.627 175.510 -0.505 0.000 1.079 646 N CA -0.341 52.581 53.050 -0.213 0.000 0.893 646 N CB 1.579 39.999 38.487 -0.110 0.000 1.512 646 N HN 0.593 nan 8.380 nan 0.000 0.497 647 K N 3.035 122.698 120.400 -1.228 0.000 2.009 647 K HA -0.119 4.202 4.320 0.001 0.000 0.210 647 K C 0.977 177.223 176.600 -0.589 0.000 1.049 647 K CA 1.591 56.960 56.287 -1.530 0.000 0.929 647 K CB 0.100 31.605 32.500 -1.658 0.000 0.714 647 K HN 0.469 nan 8.250 nan 0.000 0.440 648 N N 1.381 119.840 118.700 -0.401 0.000 2.166 648 N HA -0.151 4.590 4.740 0.001 0.000 0.186 648 N C 1.284 176.708 175.510 -0.145 0.000 1.019 648 N CA 1.469 54.387 53.050 -0.219 0.000 0.856 648 N CB -0.461 37.924 38.487 -0.171 0.000 0.993 648 N HN 0.297 nan 8.380 nan 0.000 0.426 649 D N -0.244 120.061 120.400 -0.157 0.000 2.084 649 D HA -0.115 4.526 4.640 0.001 0.000 0.194 649 D C 1.873 178.098 176.300 -0.125 0.000 0.990 649 D CA 0.779 54.685 54.000 -0.156 0.000 0.826 649 D CB -0.514 40.154 40.800 -0.221 0.000 0.971 649 D HN 0.341 nan 8.370 nan 0.000 0.453 650 W N 0.826 122.075 121.300 -0.085 0.000 2.342 650 W HA -0.084 4.577 4.660 0.001 0.000 0.297 650 W C 2.601 179.088 176.519 -0.054 0.000 1.213 650 W CA 0.697 58.027 57.345 -0.025 0.000 1.251 650 W CB -0.259 29.266 29.460 0.108 0.000 1.136 650 W HN -0.044 nan 8.180 nan 0.000 0.526 651 M N -0.641 119.045 119.600 0.143 0.000 2.175 651 M HA -0.173 4.308 4.480 0.001 0.000 0.264 651 M C 2.055 178.372 176.300 0.028 0.000 1.063 651 M CA 1.608 56.944 55.300 0.060 0.000 1.119 651 M CB -0.793 31.803 32.600 -0.007 0.000 1.377 651 M HN 0.090 nan 8.290 nan 0.000 0.415 652 E N 0.904 121.104 120.200 -0.000 0.000 2.028 652 E HA -0.227 4.124 4.350 0.001 0.000 0.191 652 E C 1.993 178.602 176.600 0.015 0.000 0.988 652 E CA 1.141 57.538 56.400 -0.004 0.000 0.799 652 E CB 0.019 29.702 29.700 -0.028 0.000 0.755 652 E HN 0.274 nan 8.360 nan 0.000 0.447 653 L N 1.021 122.242 121.223 -0.002 0.000 2.056 653 L HA -0.144 4.196 4.340 0.001 0.000 0.207 653 L C 2.488 179.384 176.870 0.044 0.000 1.078 653 L CA 2.309 57.154 54.840 0.009 0.000 0.749 653 L CB -0.697 41.301 42.059 -0.102 0.000 0.901 653 L HN 0.222 nan 8.230 nan 0.000 0.433 654 S N -0.901 114.833 115.700 0.056 0.000 2.382 654 S HA -0.216 4.255 4.470 0.001 0.000 0.228 654 S C 2.160 176.791 174.600 0.052 0.000 1.027 654 S CA 1.051 59.284 58.200 0.054 0.000 0.991 654 S CB -0.610 62.613 63.200 0.039 0.000 0.823 654 S HN 0.497 nan 8.310 nan 0.000 0.469 655 R N 1.228 121.756 120.500 0.047 0.000 2.092 655 R HA 0.088 4.429 4.340 0.001 0.000 0.231 655 R C 2.573 178.912 176.300 0.064 0.000 1.119 655 R CA 1.330 57.458 56.100 0.046 0.000 0.970 655 R CB -0.243 30.076 30.300 0.032 0.000 0.864 655 R HN 0.507 nan 8.270 nan 0.000 0.440 656 K N 0.554 121.003 120.400 0.081 0.000 2.057 656 K HA -0.099 4.222 4.320 0.001 0.000 0.206 656 K C 2.002 178.688 176.600 0.144 0.000 1.050 656 K CA 1.382 57.732 56.287 0.104 0.000 0.935 656 K CB -0.055 32.520 32.500 0.124 0.000 0.715 656 K HN 0.145 nan 8.250 nan 0.000 0.439 657 A N 1.330 124.262 122.820 0.186 0.000 1.898 657 A HA -0.207 4.114 4.320 0.001 0.000 0.216 657 A C 2.003 179.681 177.584 0.157 0.000 1.181 657 A CA 1.746 53.927 52.037 0.240 0.000 0.620 657 A CB -0.545 18.601 19.000 0.243 0.000 0.819 657 A HN 0.592 nan 8.150 nan 0.000 0.442 658 E N 0.035 120.300 120.200 0.108 0.000 2.077 658 E HA -0.125 4.226 4.350 0.001 0.000 0.193 658 E C 2.048 178.692 176.600 0.074 0.000 0.989 658 E CA 1.041 57.490 56.400 0.082 0.000 0.800 658 E CB -0.275 29.461 29.700 0.060 0.000 0.746 658 E HN 0.507 nan 8.360 nan 0.000 0.452 659 A N 0.910 123.772 122.820 0.070 0.000 2.070 659 A HA -0.164 4.157 4.320 0.001 0.000 0.220 659 A C 2.264 179.883 177.584 0.059 0.000 1.159 659 A CA 1.730 53.800 52.037 0.056 0.000 0.656 659 A CB -0.646 18.384 19.000 0.050 0.000 0.800 659 A HN 0.438 nan 8.150 nan 0.000 0.453 660 S N -1.877 113.869 115.700 0.078 0.000 2.515 660 S HA 0.323 4.794 4.470 0.001 0.000 0.231 660 S C 1.405 176.050 174.600 0.074 0.000 0.987 660 S CA 1.223 59.467 58.200 0.074 0.000 0.936 660 S CB -0.294 62.963 63.200 0.095 0.000 0.766 660 S HN 1.908 nan 8.310 nan 0.000 0.528 661 G N 0.365 109.212 108.800 0.077 0.000 2.148 661 G HA2 0.028 3.989 3.960 0.001 0.000 0.203 661 G HA3 0.028 3.989 3.960 0.001 0.000 0.203 661 G C 0.195 175.148 174.900 0.089 0.000 0.993 661 G CA -0.170 44.973 45.100 0.072 0.000 0.661 661 G HN 1.221 nan 8.290 nan 0.000 0.518 662 A N 0.300 123.186 122.820 0.110 0.000 2.498 662 A HA 0.481 4.802 4.320 0.001 0.000 0.239 662 A C 1.302 178.942 177.584 0.094 0.000 1.068 662 A CA 0.929 53.042 52.037 0.127 0.000 0.766 662 A CB 0.283 19.375 19.000 0.154 0.000 1.003 662 A HN 0.237 nan 8.150 nan 0.000 0.497 663 D N 0.622 121.077 120.400 0.091 0.000 2.183 663 D HA 0.200 4.841 4.640 0.001 0.000 0.203 663 D C 0.815 177.148 176.300 0.056 0.000 0.969 663 D CA 1.971 56.002 54.000 0.051 0.000 0.842 663 D CB 0.156 40.965 40.800 0.014 0.000 0.957 663 D HN 0.763 nan 8.370 nan 0.000 0.484 664 A N -0.544 122.331 122.820 0.091 0.000 2.564 664 A HA 0.639 4.960 4.320 0.001 0.000 0.291 664 A C -1.680 175.958 177.584 0.091 0.000 1.102 664 A CA -0.658 51.411 52.037 0.053 0.000 0.660 664 A CB 0.791 19.837 19.000 0.075 0.000 1.283 664 A HN 0.023 nan 8.150 nan 0.000 0.430 665 L N 0.088 121.338 121.223 0.045 0.000 2.341 665 L HA 0.724 5.065 4.340 0.001 0.000 0.267 665 L C -0.224 176.737 176.870 0.151 0.000 1.009 665 L CA -0.505 54.394 54.840 0.098 0.000 0.819 665 L CB 2.165 44.272 42.059 0.079 0.000 1.323 665 L HN 0.883 nan 8.230 nan 0.000 0.425 666 E N 2.214 122.514 120.200 0.168 0.000 2.218 666 E HA 0.442 4.793 4.350 0.001 0.000 0.263 666 E C -1.554 175.145 176.600 0.166 0.000 0.879 666 E CA -0.618 55.913 56.400 0.219 0.000 0.762 666 E CB 1.581 31.408 29.700 0.212 0.000 1.166 666 E HN 0.474 nan 8.360 nan 0.000 0.415 667 L N 4.457 125.800 121.223 0.200 0.000 2.260 667 L HA 0.305 4.646 4.340 0.001 0.000 0.289 667 L C 0.397 177.391 176.870 0.206 0.000 1.057 667 L CA -0.672 54.298 54.840 0.216 0.000 0.811 667 L CB 0.537 42.640 42.059 0.073 0.000 1.184 667 L HN 0.450 nan 8.230 nan 0.000 0.429 668 N N 5.011 123.853 118.700 0.236 0.000 2.408 668 N HA 0.175 4.915 4.740 0.001 0.000 0.257 668 N C -0.176 175.486 175.510 0.252 0.000 1.064 668 N CA -0.244 52.909 53.050 0.172 0.000 0.952 668 N CB 1.170 39.710 38.487 0.089 0.000 1.093 668 N HN 0.614 nan 8.380 nan 0.000 0.490 669 L N 2.964 124.296 121.223 0.182 0.000 2.978 669 L HA 0.129 4.470 4.340 0.001 0.000 0.239 669 L C 1.445 178.397 176.870 0.135 0.000 1.293 669 L CA -0.206 54.745 54.840 0.186 0.000 1.085 669 L CB -0.119 42.008 42.059 0.115 0.000 1.432 669 L HN 0.512 nan 8.230 nan 0.000 0.512 670 S N -2.527 113.243 115.700 0.116 0.000 2.575 670 S HA 0.003 4.474 4.470 0.001 0.000 0.215 670 S C 0.730 175.362 174.600 0.053 0.000 0.966 670 S CA -0.549 57.691 58.200 0.067 0.000 0.911 670 S CB -0.274 62.955 63.200 0.049 0.000 0.780 670 S HN 0.450 nan 8.310 nan 0.000 0.514 671 C N 5.399 124.754 119.300 0.092 0.000 2.629 671 C HA 0.415 4.876 4.460 0.001 0.000 0.410 671 C C -2.172 172.837 174.990 0.031 0.000 1.339 671 C CA -2.295 56.766 59.018 0.072 0.000 1.810 671 C CB -0.088 27.722 27.740 0.117 0.000 2.549 671 C HN 0.389 nan 8.230 nan 0.000 0.589 672 P HA 0.051 nan 4.420 nan 0.000 0.265 672 P C 0.389 177.643 177.300 -0.077 0.000 1.193 672 P CA 0.530 63.538 63.100 -0.154 0.000 0.765 672 P CB 0.224 31.866 31.700 -0.098 0.000 0.823 673 H N 1.441 120.539 119.070 0.045 0.000 2.512 673 H HA 0.088 4.644 4.556 0.001 0.000 0.279 673 H C 1.208 176.563 175.328 0.045 0.000 0.999 673 H CA 0.396 56.464 56.048 0.033 0.000 1.283 673 H CB -0.449 29.261 29.762 -0.087 0.000 1.421 673 H HN 0.632 nan 8.280 nan 0.000 0.554 674 G N 1.650 110.580 108.800 0.217 0.000 2.198 674 G HA2 -0.290 3.671 3.960 0.001 0.000 0.260 674 G HA3 -0.290 3.671 3.960 0.001 0.000 0.260 674 G C 0.088 175.100 174.900 0.187 0.000 1.025 674 G CA 0.495 45.698 45.100 0.171 0.000 0.769 674 G HN 0.430 nan 8.290 nan 0.000 0.507 675 M N 0.901 120.665 119.600 0.274 0.000 2.036 675 M HA 0.496 4.977 4.480 0.001 0.000 0.337 675 M C 1.623 177.956 176.300 0.055 0.000 1.012 675 M CA -0.186 55.164 55.300 0.084 0.000 0.962 675 M CB 1.078 33.635 32.600 -0.072 0.000 1.423 675 M HN 0.399 nan 8.290 nan 0.000 0.405 676 G N 3.434 112.266 108.800 0.054 0.000 3.451 676 G HA2 -0.290 3.671 3.960 0.001 0.000 0.371 676 G HA3 -0.290 3.671 3.960 0.001 0.000 0.371 676 G C 0.483 175.406 174.900 0.038 0.000 0.895 676 G CA 1.160 46.284 45.100 0.040 0.000 0.744 676 G HN 0.830 nan 8.290 nan 0.000 1.227 677 E N 0.038 120.243 120.200 0.009 0.000 2.789 677 E HA 0.231 4.582 4.350 0.001 0.000 0.208 677 E C 1.749 178.325 176.600 -0.040 0.000 0.988 677 E CA -0.325 56.075 56.400 -0.001 0.000 1.092 677 E CB 0.717 30.421 29.700 0.006 0.000 1.066 677 E HN 0.364 nan 8.360 nan 0.000 0.465 678 R N 0.546 121.006 120.500 -0.066 0.000 2.310 678 R HA 0.114 4.455 4.340 0.001 0.000 0.202 678 R C 0.511 176.698 176.300 -0.188 0.000 0.933 678 R CA 0.213 56.256 56.100 -0.096 0.000 1.054 678 R CB 0.702 30.957 30.300 -0.074 0.000 0.985 678 R HN -0.030 nan 8.270 nan 0.000 0.489 679 G N 0.713 109.353 108.800 -0.267 0.000 2.719 679 G HA2 0.271 4.232 3.960 0.001 0.000 0.284 679 G HA3 0.271 4.232 3.960 0.001 0.000 0.284 679 G C -0.413 174.346 174.900 -0.235 0.000 1.488 679 G CA -0.796 44.025 45.100 -0.466 0.000 1.139 679 G HN -0.006 nan 8.290 nan 0.000 0.552 680 M N 2.643 122.182 119.600 -0.102 0.000 2.409 680 M HA 0.249 4.730 4.480 0.001 0.000 0.376 680 M C 1.401 177.772 176.300 0.119 0.000 1.631 680 M CA 2.092 57.396 55.300 0.007 0.000 0.987 680 M CB -0.298 32.298 32.600 -0.007 0.000 2.090 680 M HN 1.311 nan 8.290 nan 0.000 0.474 681 G N 2.754 111.623 108.800 0.115 0.000 2.512 681 G HA2 -0.259 3.702 3.960 0.001 0.000 0.240 681 G HA3 -0.259 3.702 3.960 0.001 0.000 0.240 681 G C 0.093 175.093 174.900 0.167 0.000 1.246 681 G CA -0.168 45.002 45.100 0.116 0.000 0.919 681 G HN 0.642 nan 8.290 nan 0.000 0.577 682 L N 0.407 121.623 121.223 -0.011 0.000 2.730 682 L HA 0.564 4.905 4.340 0.001 0.000 0.236 682 L C 1.769 178.206 176.870 -0.722 0.000 1.061 682 L CA 0.758 55.431 54.840 -0.279 0.000 0.898 682 L CB -0.013 41.971 42.059 -0.124 0.000 1.270 682 L HN 0.939 nan 8.230 nan 0.000 0.500 683 A N -0.844 121.789 122.820 -0.311 0.000 2.304 683 A HA 0.222 4.543 4.320 0.001 0.000 0.301 683 A C 1.131 178.695 177.584 -0.032 0.000 1.132 683 A CA -0.473 51.447 52.037 -0.196 0.000 0.819 683 A CB 0.758 19.730 19.000 -0.047 0.000 1.094 683 A HN 0.284 nan 8.150 nan 0.000 0.492 684 C N 1.484 120.822 119.300 0.064 0.000 2.413 684 C HA -0.087 4.374 4.460 0.001 0.000 0.277 684 C C 2.675 177.723 174.990 0.097 0.000 1.265 684 C CA 1.353 60.467 59.018 0.160 0.000 1.752 684 C CB -1.435 26.422 27.740 0.196 0.000 1.998 684 C HN 1.007 nan 8.230 nan 0.000 0.489 685 G N -0.699 108.149 108.800 0.079 0.000 2.586 685 G HA2 -0.158 3.803 3.960 0.001 0.000 0.215 685 G HA3 -0.158 3.803 3.960 0.001 0.000 0.215 685 G C 1.471 176.399 174.900 0.046 0.000 1.128 685 G CA 0.296 45.430 45.100 0.057 0.000 0.774 685 G HN 0.736 nan 8.290 nan 0.000 0.543 686 Q N -0.576 119.258 119.800 0.056 0.000 2.282 686 Q HA 0.106 4.447 4.340 0.001 0.000 0.206 686 Q C -0.367 175.658 176.000 0.042 0.000 0.878 686 Q CA -0.125 55.707 55.803 0.049 0.000 0.944 686 Q CB 0.772 29.544 28.738 0.056 0.000 1.100 686 Q HN 0.238 nan 8.270 nan 0.000 0.509 687 D N -0.026 120.394 120.400 0.032 0.000 2.471 687 D HA 0.165 4.806 4.640 0.001 0.000 0.245 687 D C -2.182 174.093 176.300 -0.042 0.000 1.116 687 D CA -2.166 51.823 54.000 -0.019 0.000 0.853 687 D CB 1.988 42.749 40.800 -0.066 0.000 1.123 687 D HN -0.211 nan 8.370 nan 0.000 0.540 688 P HA -0.159 nan 4.420 nan 0.000 0.216 688 P C 1.113 178.369 177.300 -0.072 0.000 1.153 688 P CA 1.085 64.155 63.100 -0.049 0.000 0.858 688 P CB 0.438 32.112 31.700 -0.043 0.000 0.789 689 E N -0.229 119.921 120.200 -0.083 0.000 2.077 689 E HA -0.168 4.183 4.350 0.001 0.000 0.193 689 E C 1.873 178.402 176.600 -0.118 0.000 0.989 689 E CA 1.035 57.379 56.400 -0.094 0.000 0.800 689 E CB -0.603 29.042 29.700 -0.091 0.000 0.746 689 E HN 0.131 nan 8.360 nan 0.000 0.452 690 L N 0.332 121.465 121.223 -0.151 0.000 2.056 690 L HA -0.143 4.198 4.340 0.001 0.000 0.207 690 L C 2.583 179.383 176.870 -0.116 0.000 1.078 690 L CA 0.666 55.403 54.840 -0.172 0.000 0.749 690 L CB -0.418 41.475 42.059 -0.275 0.000 0.901 690 L HN 0.112 nan 8.230 nan 0.000 0.433 691 V N 0.025 119.876 119.914 -0.105 0.000 2.343 691 V HA -0.302 3.819 4.120 0.001 0.000 0.247 691 V C 2.716 178.710 176.094 -0.166 0.000 1.051 691 V CA 1.900 64.132 62.300 -0.113 0.000 1.036 691 V CB -0.684 31.107 31.823 -0.055 0.000 0.654 691 V HN 0.450 nan 8.190 nan 0.000 0.451 692 R N 0.349 120.759 120.500 -0.150 0.000 2.080 692 R HA -0.188 4.153 4.340 0.001 0.000 0.236 692 R C 2.294 178.425 176.300 -0.282 0.000 1.137 692 R CA 2.073 58.075 56.100 -0.162 0.000 0.943 692 R CB -0.303 29.922 30.300 -0.125 0.000 0.846 692 R HN 0.557 nan 8.270 nan 0.000 0.431 693 N N 0.792 119.262 118.700 -0.382 0.000 2.069 693 N HA -0.185 4.556 4.740 0.001 0.000 0.191 693 N C 1.949 176.685 175.510 -1.290 0.000 1.031 693 N CA 1.654 54.249 53.050 -0.759 0.000 0.852 693 N CB -0.358 37.715 38.487 -0.690 0.000 1.018 693 N HN 0.302 nan 8.380 nan 0.000 0.423 694 I N 0.749 120.697 120.570 -1.036 0.000 2.163 694 I HA -0.310 3.861 4.170 0.001 0.000 0.243 694 I C 2.197 177.926 176.117 -0.647 0.000 1.085 694 I CA 0.934 61.654 61.300 -0.966 0.000 1.347 694 I CB -0.319 37.182 38.000 -0.831 0.000 1.044 694 I HN 0.150 nan 8.210 nan 0.000 0.408 695 C N 0.369 119.426 119.300 -0.404 0.000 2.425 695 C HA -0.122 4.339 4.460 0.001 0.000 0.277 695 C C 2.894 177.830 174.990 -0.091 0.000 1.280 695 C CA 0.700 59.648 59.018 -0.117 0.000 1.744 695 C CB -1.268 26.542 27.740 0.117 0.000 1.989 695 C HN 0.412 nan 8.230 nan 0.000 0.491 696 R N -0.484 119.895 120.500 -0.202 0.000 2.081 696 R HA -0.131 4.210 4.340 0.001 0.000 0.235 696 R C 2.189 178.494 176.300 0.008 0.000 1.131 696 R CA 1.551 57.589 56.100 -0.103 0.000 0.960 696 R CB -0.225 29.971 30.300 -0.174 0.000 0.856 696 R HN 0.582 nan 8.270 nan 0.000 0.436 697 W N 0.020 121.237 121.300 -0.138 0.000 2.379 697 W HA -0.080 4.580 4.660 0.001 0.000 0.307 697 W C 2.065 178.485 176.519 -0.166 0.000 1.200 697 W CA 0.339 57.605 57.345 -0.131 0.000 1.297 697 W CB -1.096 28.283 29.460 -0.136 0.000 1.140 697 W HN -0.110 nan 8.180 nan 0.000 0.507 698 V N 0.767 120.626 119.914 -0.092 0.000 2.358 698 V HA -0.265 3.856 4.120 0.001 0.000 0.246 698 V C 2.485 178.381 176.094 -0.331 0.000 1.047 698 V CA 2.189 64.282 62.300 -0.345 0.000 1.035 698 V CB -0.891 30.406 31.823 -0.876 0.000 0.658 698 V HN -0.022 nan 8.190 nan 0.000 0.452 699 R N 0.853 121.231 120.500 -0.204 0.000 2.105 699 R HA -0.218 4.123 4.340 0.001 0.000 0.239 699 R C 2.304 178.650 176.300 0.076 0.000 1.135 699 R CA 2.130 58.309 56.100 0.131 0.000 0.967 699 R CB -0.616 29.844 30.300 0.267 0.000 0.861 699 R HN 0.680 nan 8.270 nan 0.000 0.442 700 Q N -1.161 118.671 119.800 0.054 0.000 2.378 700 Q HA 0.009 4.350 4.340 0.001 0.000 0.205 700 Q C 1.380 177.403 176.000 0.038 0.000 0.954 700 Q CA 1.181 57.019 55.803 0.058 0.000 0.901 700 Q CB 0.059 28.846 28.738 0.082 0.000 0.981 700 Q HN 0.420 nan 8.270 nan 0.000 0.483 701 A N 0.499 123.330 122.820 0.019 0.000 1.997 701 A HA 0.225 4.546 4.320 0.001 0.000 0.212 701 A C 0.892 178.483 177.584 0.011 0.000 1.178 701 A CA 0.667 52.711 52.037 0.012 0.000 0.698 701 A CB 0.261 19.267 19.000 0.010 0.000 0.842 701 A HN 0.317 nan 8.150 nan 0.000 0.458 702 V N -4.036 115.881 119.914 0.006 0.000 3.074 702 V HA 0.523 4.644 4.120 0.001 0.000 0.314 702 V C 0.011 176.138 176.094 0.055 0.000 1.117 702 V CA -0.634 61.681 62.300 0.026 0.000 1.014 702 V CB 1.523 33.356 31.823 0.017 0.000 1.057 702 V HN 0.299 nan 8.190 nan 0.000 0.438 703 Q N 1.257 121.089 119.800 0.053 0.000 2.350 703 Q HA 0.384 4.725 4.340 0.001 0.000 0.225 703 Q C 0.739 176.772 176.000 0.054 0.000 0.878 703 Q CA 0.254 56.089 55.803 0.055 0.000 0.935 703 Q CB 0.806 29.567 28.738 0.038 0.000 1.099 703 Q HN 0.887 nan 8.270 nan 0.000 0.527 704 I N -0.265 120.337 120.570 0.053 0.000 2.945 704 I HA 0.304 4.475 4.170 0.001 0.000 0.292 704 I C -2.212 173.925 176.117 0.032 0.000 1.093 704 I CA -2.398 58.923 61.300 0.035 0.000 1.336 704 I CB -0.009 38.011 38.000 0.034 0.000 1.435 704 I HN -0.211 nan 8.210 nan 0.000 0.593 705 P HA 0.217 nan 4.420 nan 0.000 0.274 705 P C -1.153 175.931 177.300 -0.359 0.000 1.231 705 P CA 0.180 63.142 63.100 -0.230 0.000 0.790 705 P CB 0.621 32.166 31.700 -0.258 0.000 0.951 706 F N -0.069 119.481 119.950 -0.666 0.000 2.601 706 F HA 0.744 5.272 4.527 0.001 0.000 0.309 706 F C -1.807 173.513 175.800 -0.800 0.000 1.089 706 F CA -1.477 56.120 58.000 -0.672 0.000 0.940 706 F CB 1.192 40.036 39.000 -0.261 0.000 1.273 706 F HN 0.001 nan 8.300 nan 0.000 0.450 707 F N 1.788 121.800 119.950 0.105 0.000 2.520 707 F HA 0.790 5.318 4.527 0.001 0.000 0.322 707 F C 0.107 175.973 175.800 0.111 0.000 1.103 707 F CA -1.534 56.456 58.000 -0.017 0.000 0.926 707 F CB 1.929 40.893 39.000 -0.061 0.000 1.154 707 F HN 0.878 nan 8.300 nan 0.000 0.453 708 A N 2.780 125.748 122.820 0.246 0.000 2.289 708 A HA 0.478 4.799 4.320 0.001 0.000 0.298 708 A C -0.185 177.488 177.584 0.149 0.000 1.208 708 A CA -0.706 51.444 52.037 0.188 0.000 0.845 708 A CB 0.379 19.469 19.000 0.149 0.000 1.125 708 A HN 0.765 nan 8.150 nan 0.000 0.517 709 K N 3.712 124.191 120.400 0.132 0.000 2.285 709 K HA 0.478 4.798 4.320 0.001 0.000 0.286 709 K C -0.850 175.799 176.600 0.081 0.000 1.072 709 K CA -0.208 56.139 56.287 0.099 0.000 0.913 709 K CB 0.175 32.732 32.500 0.094 0.000 1.067 709 K HN 0.711 nan 8.250 nan 0.000 0.479 710 L N 2.713 123.977 121.223 0.069 0.000 2.375 710 L HA 0.299 4.639 4.340 0.001 0.000 0.271 710 L C 0.681 177.583 176.870 0.052 0.000 1.107 710 L CA -0.735 54.142 54.840 0.061 0.000 0.806 710 L CB 1.484 43.581 42.059 0.062 0.000 1.146 710 L HN 0.600 nan 8.230 nan 0.000 0.447 711 T N 1.635 116.217 114.554 0.048 0.000 2.875 711 T HA 0.376 4.727 4.350 0.001 0.000 0.284 711 T C -1.694 173.028 174.700 0.038 0.000 0.995 711 T CA -1.798 60.326 62.100 0.041 0.000 1.060 711 T CB 1.447 70.337 68.868 0.036 0.000 0.967 711 T HN 0.482 nan 8.240 nan 0.000 0.476 712 P HA 0.106 nan 4.420 nan 0.000 0.245 712 P C 0.050 177.364 177.300 0.023 0.000 1.206 712 P CA 0.056 63.177 63.100 0.035 0.000 0.781 712 P CB 0.256 31.980 31.700 0.041 0.000 0.994 713 N N 1.328 120.039 118.700 0.018 0.000 3.243 713 N HA 0.140 4.881 4.740 0.001 0.000 0.310 713 N C 0.174 175.688 175.510 0.008 0.000 1.313 713 N CA 0.257 53.311 53.050 0.007 0.000 1.204 713 N CB 0.233 38.721 38.487 0.001 0.000 1.483 713 N HN 0.176 nan 8.380 nan 0.000 0.553 714 V N -3.996 115.924 119.914 0.011 0.000 3.147 714 V HA 0.413 4.533 4.120 0.001 0.000 0.306 714 V C 1.136 177.234 176.094 0.007 0.000 1.209 714 V CA -0.842 61.465 62.300 0.011 0.000 1.023 714 V CB 1.529 33.362 31.823 0.016 0.000 1.059 714 V HN -0.027 nan 8.190 nan 0.000 0.435 715 T N 0.528 115.085 114.554 0.004 0.000 2.777 715 T HA -0.040 4.311 4.350 0.001 0.000 0.266 715 T C 0.471 175.173 174.700 0.004 0.000 1.040 715 T CA 2.346 64.447 62.100 0.002 0.000 1.141 715 T CB -0.228 68.639 68.868 -0.001 0.000 0.868 715 T HN 0.943 nan 8.240 nan 0.000 0.444 716 D N -0.121 120.282 120.400 0.005 0.000 2.375 716 D HA 0.253 4.894 4.640 0.001 0.000 0.259 716 D C 0.621 176.927 176.300 0.011 0.000 1.235 716 D CA -0.390 53.614 54.000 0.006 0.000 0.924 716 D CB 0.114 40.914 40.800 0.000 0.000 1.143 716 D HN 0.123 nan 8.370 nan 0.000 0.529 717 I N 2.683 123.264 120.570 0.018 0.000 2.454 717 I HA -0.201 3.970 4.170 0.001 0.000 0.254 717 I C 1.451 177.585 176.117 0.027 0.000 1.156 717 I CA 0.824 62.140 61.300 0.027 0.000 1.433 717 I CB 0.478 38.499 38.000 0.037 0.000 1.082 717 I HN 0.223 nan 8.210 nan 0.000 0.432 718 V N 0.908 120.834 119.914 0.021 0.000 2.407 718 V HA -0.274 3.847 4.120 0.001 0.000 0.248 718 V C 2.629 178.722 176.094 -0.001 0.000 1.055 718 V CA 2.005 64.314 62.300 0.016 0.000 1.049 718 V CB -0.895 30.933 31.823 0.008 0.000 0.662 718 V HN 0.689 nan 8.190 nan 0.000 0.455 719 S N 0.245 115.942 115.700 -0.005 0.000 2.399 719 S HA -0.136 4.335 4.470 0.001 0.000 0.231 719 S C 1.909 176.498 174.600 -0.017 0.000 1.022 719 S CA 1.360 59.550 58.200 -0.017 0.000 0.983 719 S CB -0.396 62.794 63.200 -0.016 0.000 0.803 719 S HN 0.439 nan 8.310 nan 0.000 0.480 720 I N 2.640 123.210 120.570 -0.001 0.000 2.333 720 I HA 0.067 4.237 4.170 0.001 0.000 0.246 720 I C 3.060 179.188 176.117 0.018 0.000 1.106 720 I CA 0.992 62.296 61.300 0.006 0.000 1.411 720 I CB -2.032 35.981 38.000 0.021 0.000 1.082 720 I HN 0.412 nan 8.210 nan 0.000 0.420 721 A N 1.180 124.023 122.820 0.037 0.000 1.902 721 A HA -0.239 4.082 4.320 0.001 0.000 0.217 721 A C 2.558 180.134 177.584 -0.014 0.000 1.181 721 A CA 1.854 53.939 52.037 0.080 0.000 0.623 721 A CB -0.721 18.349 19.000 0.116 0.000 0.818 721 A HN 0.366 nan 8.150 nan 0.000 0.443 722 R N -0.366 120.093 120.500 -0.067 0.000 2.096 722 R HA -0.084 4.257 4.340 0.001 0.000 0.235 722 R C 2.223 178.446 176.300 -0.128 0.000 1.127 722 R CA 1.441 57.456 56.100 -0.141 0.000 0.968 722 R CB -0.401 29.836 30.300 -0.104 0.000 0.861 722 R HN 0.427 nan 8.270 nan 0.000 0.440 723 A N 0.656 123.431 122.820 -0.076 0.000 1.933 723 A HA -0.065 4.255 4.320 0.001 0.000 0.218 723 A C 2.336 179.882 177.584 -0.063 0.000 1.175 723 A CA 1.548 53.542 52.037 -0.070 0.000 0.628 723 A CB -0.679 18.287 19.000 -0.057 0.000 0.814 723 A HN 0.540 nan 8.150 nan 0.000 0.444 724 A N -0.233 122.570 122.820 -0.027 0.000 1.898 724 A HA -0.141 4.179 4.320 0.001 0.000 0.216 724 A C 2.133 179.720 177.584 0.006 0.000 1.181 724 A CA 1.921 53.975 52.037 0.027 0.000 0.620 724 A CB -0.434 18.635 19.000 0.115 0.000 0.819 724 A HN 0.539 nan 8.150 nan 0.000 0.442 725 K N -0.059 120.268 120.400 -0.122 0.000 2.057 725 K HA -0.181 4.139 4.320 0.001 0.000 0.207 725 K C 1.847 178.339 176.600 -0.180 0.000 1.049 725 K CA 1.683 57.783 56.287 -0.311 0.000 0.931 725 K CB -0.187 31.795 32.500 -0.863 0.000 0.714 725 K HN 0.629 nan 8.250 nan 0.000 0.440 726 E N -0.769 119.339 120.200 -0.153 0.000 2.153 726 E HA -0.129 4.222 4.350 0.001 0.000 0.194 726 E C 1.858 178.420 176.600 -0.063 0.000 0.988 726 E CA 0.971 57.309 56.400 -0.103 0.000 0.811 726 E CB -0.078 29.565 29.700 -0.095 0.000 0.746 726 E HN 0.515 nan 8.360 nan 0.000 0.466 727 G N -0.046 108.724 108.800 -0.050 0.000 2.572 727 G HA2 0.057 4.018 3.960 0.001 0.000 0.216 727 G HA3 0.057 4.018 3.960 0.001 0.000 0.216 727 G C 1.082 176.013 174.900 0.051 0.000 1.133 727 G CA 0.467 45.553 45.100 -0.024 0.000 0.791 727 G HN 0.430 nan 8.290 nan 0.000 0.538 728 G N -1.605 107.219 108.800 0.040 0.000 2.192 728 G HA2 0.204 4.165 3.960 0.001 0.000 0.193 728 G HA3 0.204 4.165 3.960 0.001 0.000 0.193 728 G C 0.462 175.303 174.900 -0.098 0.000 0.999 728 G CA 0.145 45.280 45.100 0.057 0.000 0.659 728 G HN 1.206 nan 8.290 nan 0.000 0.503 729 A N 0.357 123.069 122.820 -0.180 0.000 2.483 729 A HA 0.507 4.828 4.320 0.001 0.000 0.238 729 A C 1.059 178.435 177.584 -0.346 0.000 1.070 729 A CA 0.851 52.471 52.037 -0.694 0.000 0.770 729 A CB 0.267 19.165 19.000 -0.170 0.000 1.008 729 A HN 0.230 nan 8.150 nan 0.000 0.497 730 D N 0.726 120.771 120.400 -0.592 0.000 2.349 730 D HA 0.269 4.910 4.640 0.001 0.000 0.215 730 D C 0.823 177.034 176.300 -0.148 0.000 1.016 730 D CA 1.475 55.333 54.000 -0.236 0.000 0.870 730 D CB 0.449 41.044 40.800 -0.342 0.000 0.917 730 D HN 0.798 nan 8.370 nan 0.000 0.524 731 G N -0.013 108.653 108.800 -0.224 0.000 2.320 731 G HA2 0.381 4.342 3.960 0.001 0.000 0.296 731 G HA3 0.381 4.342 3.960 0.001 0.000 0.296 731 G C -1.614 173.133 174.900 -0.255 0.000 1.306 731 G CA -0.290 44.396 45.100 -0.690 0.000 0.836 731 G HN 0.081 nan 8.290 nan 0.000 0.517 732 V N -3.103 116.620 119.914 -0.319 0.000 2.925 732 V HA 0.912 5.033 4.120 0.001 0.000 0.311 732 V C -0.370 175.664 176.094 -0.101 0.000 1.104 732 V CA -0.788 61.485 62.300 -0.044 0.000 0.954 732 V CB 1.583 33.458 31.823 0.086 0.000 1.022 732 V HN 0.935 nan 8.190 nan 0.000 0.427 733 T N 3.221 117.764 114.554 -0.017 0.000 2.749 733 T HA 0.791 5.142 4.350 0.001 0.000 0.287 733 T C -0.032 174.666 174.700 -0.003 0.000 0.970 733 T CA 0.216 62.290 62.100 -0.044 0.000 0.980 733 T CB 1.140 70.010 68.868 0.004 0.000 0.924 733 T HN 1.433 nan 8.240 nan 0.000 0.456 734 A N 3.348 126.158 122.820 -0.016 0.000 2.332 734 A HA 0.804 5.125 4.320 0.001 0.000 0.300 734 A C 0.260 177.853 177.584 0.014 0.000 1.153 734 A CA -0.766 51.284 52.037 0.022 0.000 0.764 734 A CB 0.930 19.959 19.000 0.049 0.000 1.174 734 A HN 0.837 nan 8.150 nan 0.000 0.467 735 T N -0.522 114.046 114.554 0.023 0.000 2.804 735 T HA 0.526 4.877 4.350 0.001 0.000 0.290 735 T C -0.013 174.705 174.700 0.030 0.000 1.099 735 T CA -0.854 61.268 62.100 0.036 0.000 1.011 735 T CB 1.181 70.081 68.868 0.054 0.000 1.291 735 T HN 0.447 nan 8.240 nan 0.000 0.523 736 N N 0.418 119.140 118.700 0.037 0.000 2.381 736 N HA 0.314 5.055 4.740 0.001 0.000 0.289 736 N C 0.289 175.822 175.510 0.038 0.000 1.288 736 N CA 0.246 53.318 53.050 0.035 0.000 0.960 736 N CB 0.889 39.399 38.487 0.039 0.000 1.116 736 N HN 0.975 nan 8.380 nan 0.000 0.557 737 T N -1.746 112.830 114.554 0.038 0.000 2.813 737 T HA 0.311 4.661 4.350 0.001 0.000 0.297 737 T C 0.344 175.067 174.700 0.038 0.000 1.036 737 T CA -0.664 61.462 62.100 0.042 0.000 1.044 737 T CB 0.402 69.296 68.868 0.043 0.000 0.993 737 T HN 0.105 nan 8.240 nan 0.000 0.535 738 V N 2.206 122.144 119.914 0.039 0.000 2.439 738 V HA 0.391 4.512 4.120 0.001 0.000 0.282 738 V C 0.807 176.913 176.094 0.020 0.000 1.039 738 V CA -0.741 61.575 62.300 0.027 0.000 0.913 738 V CB 1.392 33.231 31.823 0.027 0.000 0.983 738 V HN 1.123 nan 8.190 nan 0.000 0.460 739 S N 3.382 119.084 115.700 0.003 0.000 2.549 739 S HA 0.626 5.097 4.470 0.001 0.000 0.283 739 S C 0.278 174.861 174.600 -0.028 0.000 1.320 739 S CA 0.476 58.671 58.200 -0.008 0.000 1.058 739 S CB 0.189 63.362 63.200 -0.045 0.000 0.882 739 S HN 1.241 nan 8.310 nan 0.000 0.498 740 G N 2.417 111.223 108.800 0.010 0.000 2.548 740 G HA2 0.509 4.470 3.960 0.001 0.000 0.301 740 G HA3 0.509 4.470 3.960 0.001 0.000 0.301 740 G C -2.237 172.731 174.900 0.112 0.000 1.349 740 G CA -0.735 44.375 45.100 0.017 0.000 0.792 740 G HN 0.770 nan 8.290 nan 0.000 0.481 741 L N 0.446 121.736 121.223 0.111 0.000 2.372 741 L HA 0.620 4.961 4.340 0.001 0.000 0.274 741 L C 1.104 178.030 176.870 0.093 0.000 0.988 741 L CA -0.738 54.190 54.840 0.148 0.000 0.833 741 L CB 1.944 44.122 42.059 0.199 0.000 1.236 741 L HN 0.620 nan 8.230 nan 0.000 0.410 742 M N 2.984 122.635 119.600 0.086 0.000 2.319 742 M HA 0.420 4.901 4.480 0.001 0.000 0.265 742 M C 0.637 176.989 176.300 0.086 0.000 1.068 742 M CA 1.080 56.426 55.300 0.077 0.000 1.118 742 M CB -0.360 32.289 32.600 0.082 0.000 1.395 742 M HN 0.704 nan 8.290 nan 0.000 0.435 743 G N -1.288 107.574 108.800 0.103 0.000 2.352 743 G HA2 0.373 4.334 3.960 0.001 0.000 0.302 743 G HA3 0.373 4.334 3.960 0.001 0.000 0.302 743 G C -2.065 172.906 174.900 0.118 0.000 1.370 743 G CA -0.983 44.176 45.100 0.098 0.000 0.918 743 G HN 0.216 nan 8.290 nan 0.000 0.610 744 L N -0.087 121.191 121.223 0.092 0.000 2.371 744 L HA 0.581 4.921 4.340 0.001 0.000 0.262 744 L C 0.446 177.354 176.870 0.065 0.000 1.006 744 L CA -1.157 53.736 54.840 0.088 0.000 0.818 744 L CB 2.372 44.470 42.059 0.064 0.000 1.354 744 L HN 0.522 nan 8.230 nan 0.000 0.415 745 K N 0.323 120.757 120.400 0.056 0.000 2.120 745 K HA 0.379 4.700 4.320 0.001 0.000 0.245 745 K C 0.910 177.519 176.600 0.016 0.000 1.024 745 K CA -0.058 56.240 56.287 0.020 0.000 0.906 745 K CB 0.826 33.326 32.500 -0.000 0.000 1.051 745 K HN 0.727 nan 8.250 nan 0.000 0.491 746 A N 1.444 124.266 122.820 0.002 0.000 2.024 746 A HA -0.180 4.141 4.320 0.001 0.000 0.220 746 A C 1.344 178.931 177.584 0.004 0.000 1.164 746 A CA 2.090 54.128 52.037 0.002 0.000 0.643 746 A CB -0.610 18.387 19.000 -0.006 0.000 0.806 746 A HN 0.850 nan 8.150 nan 0.000 0.451 747 D N -2.518 117.884 120.400 0.004 0.000 2.340 747 D HA 0.281 4.922 4.640 0.001 0.000 0.220 747 D C 1.170 177.479 176.300 0.014 0.000 1.039 747 D CA 0.939 54.943 54.000 0.007 0.000 0.866 747 D CB -0.481 40.321 40.800 0.003 0.000 0.913 747 D HN 0.741 nan 8.370 nan 0.000 0.523 748 G N 0.121 108.933 108.800 0.021 0.000 2.195 748 G HA2 -0.266 3.695 3.960 0.001 0.000 0.246 748 G HA3 -0.266 3.695 3.960 0.001 0.000 0.246 748 G C 0.507 175.430 174.900 0.038 0.000 0.984 748 G CA 0.374 45.490 45.100 0.028 0.000 0.633 748 G HN 0.783 nan 8.290 nan 0.000 0.525 749 T N 0.794 115.375 114.554 0.044 0.000 2.913 749 T HA 0.625 4.976 4.350 0.001 0.000 0.297 749 T C -1.676 173.083 174.700 0.098 0.000 1.029 749 T CA -0.827 61.311 62.100 0.064 0.000 1.104 749 T CB 2.601 71.508 68.868 0.066 0.000 0.964 749 T HN 0.290 nan 8.240 nan 0.000 0.532 750 P HA 0.264 nan 4.420 nan 0.000 0.279 750 P C -1.158 176.320 177.300 0.296 0.000 1.276 750 P CA -0.870 62.321 63.100 0.152 0.000 0.801 750 P CB 1.100 32.849 31.700 0.081 0.000 1.127 751 W N 2.171 123.483 121.300 0.020 0.000 3.036 751 W HA 0.257 4.918 4.660 0.001 0.000 0.337 751 W C -2.672 173.867 176.519 0.033 0.000 1.055 751 W CA -2.271 55.089 57.345 0.026 0.000 1.248 751 W CB 2.299 31.778 29.460 0.032 0.000 1.335 751 W HN 0.275 nan 8.180 nan 0.000 0.446 752 P HA 0.238 nan 4.420 nan 0.000 0.269 752 P C -0.870 176.282 177.300 -0.247 0.000 1.209 752 P CA 0.091 62.695 63.100 -0.827 0.000 0.776 752 P CB 1.564 32.854 31.700 -0.684 0.000 0.876 753 A N 2.993 125.750 122.820 -0.106 0.000 2.319 753 A HA 0.551 4.871 4.320 0.001 0.000 0.310 753 A C -0.564 177.031 177.584 0.018 0.000 1.152 753 A CA -0.642 51.442 52.037 0.078 0.000 0.783 753 A CB 0.952 20.109 19.000 0.262 0.000 1.184 753 A HN 0.327 nan 8.150 nan 0.000 0.474 754 V N 2.308 122.214 119.914 -0.012 0.000 2.513 754 V HA 0.799 4.920 4.120 0.001 0.000 0.299 754 V C 0.949 177.045 176.094 0.003 0.000 1.035 754 V CA 0.654 62.943 62.300 -0.018 0.000 0.889 754 V CB 0.810 32.605 31.823 -0.046 0.000 0.988 754 V HN 2.103 nan 8.190 nan 0.000 0.440 755 G N 3.747 112.552 108.800 0.010 0.000 2.804 755 G HA2 0.106 4.066 3.960 0.001 0.000 0.230 755 G HA3 0.106 4.066 3.960 0.001 0.000 0.230 755 G C 0.850 175.763 174.900 0.021 0.000 1.386 755 G CA 0.050 45.157 45.100 0.011 0.000 0.875 755 G HN 1.563 nan 8.290 nan 0.000 0.557 756 A N -0.736 122.093 122.820 0.015 0.000 1.972 756 A HA 0.272 4.593 4.320 0.001 0.000 0.219 756 A C 2.750 180.344 177.584 0.017 0.000 1.169 756 A CA 2.486 54.534 52.037 0.017 0.000 0.635 756 A CB -0.733 18.274 19.000 0.011 0.000 0.810 756 A HN 2.344 nan 8.150 nan 0.000 0.446 757 G N -1.285 107.523 108.800 0.012 0.000 2.848 757 G HA2 0.126 4.087 3.960 0.001 0.000 0.208 757 G HA3 0.126 4.087 3.960 0.001 0.000 0.208 757 G C 0.627 175.537 174.900 0.017 0.000 1.152 757 G CA 0.404 45.511 45.100 0.011 0.000 0.789 757 G HN 0.539 nan 8.290 nan 0.000 0.531 758 K N -0.206 120.211 120.400 0.028 0.000 3.148 758 K HA -0.181 4.140 4.320 0.001 0.000 0.267 758 K C 0.307 176.925 176.600 0.029 0.000 0.996 758 K CA 0.414 56.728 56.287 0.046 0.000 0.737 758 K CB -0.957 31.577 32.500 0.057 0.000 1.308 758 K HN 0.466 nan 8.250 nan 0.000 0.470 759 R N -0.094 120.410 120.500 0.006 0.000 2.546 759 R HA 0.533 4.874 4.340 0.001 0.000 0.266 759 R C 0.526 176.805 176.300 -0.036 0.000 1.086 759 R CA -0.371 55.718 56.100 -0.018 0.000 1.160 759 R CB 1.593 31.876 30.300 -0.028 0.000 1.138 759 R HN 0.172 nan 8.270 nan 0.000 0.567 760 T N -1.118 113.398 114.554 -0.063 0.000 2.711 760 T HA 0.362 4.712 4.350 0.001 0.000 0.302 760 T C -1.410 173.206 174.700 -0.140 0.000 1.373 760 T CA -0.385 61.662 62.100 -0.088 0.000 1.000 760 T CB 2.058 70.884 68.868 -0.070 0.000 1.483 760 T HN 0.545 nan 8.240 nan 0.000 0.499 761 T N 0.168 114.628 114.554 -0.156 0.000 2.816 761 T HA 0.637 4.988 4.350 0.001 0.000 0.299 761 T C -1.514 173.074 174.700 -0.186 0.000 1.230 761 T CA -0.459 61.495 62.100 -0.244 0.000 1.007 761 T CB 0.508 69.288 68.868 -0.146 0.000 1.289 761 T HN 0.434 nan 8.240 nan 0.000 0.508 762 Y N 1.056 121.351 120.300 -0.008 0.000 2.712 762 Y HA 0.458 5.009 4.550 0.001 0.000 0.333 762 Y C 1.255 177.149 175.900 -0.009 0.000 1.225 762 Y CA 0.438 58.535 58.100 -0.005 0.000 1.499 762 Y CB 0.151 38.610 38.460 -0.001 0.000 1.288 762 Y HN 0.756 nan 8.280 nan 0.000 0.575 763 G N 0.451 109.348 108.800 0.163 0.000 2.932 763 G HA2 0.603 4.563 3.960 0.001 0.000 0.283 763 G HA3 0.603 4.563 3.960 0.001 0.000 0.283 763 G C -0.583 174.362 174.900 0.076 0.000 1.336 763 G CA -0.752 44.397 45.100 0.082 0.000 1.056 763 G HN 0.849 nan 8.290 nan 0.000 0.522 764 G N -1.057 107.776 108.800 0.054 0.000 2.368 764 G HA2 0.504 4.465 3.960 0.001 0.000 0.320 764 G HA3 0.504 4.465 3.960 0.001 0.000 0.320 764 G C -0.728 174.209 174.900 0.061 0.000 1.158 764 G CA -0.242 44.888 45.100 0.051 0.000 0.912 764 G HN 0.582 nan 8.290 nan 0.000 0.456 765 V N 2.081 122.031 119.914 0.059 0.000 2.465 765 V HA 0.621 4.742 4.120 0.001 0.000 0.279 765 V C 0.550 176.692 176.094 0.081 0.000 1.045 765 V CA -0.360 61.982 62.300 0.071 0.000 0.938 765 V CB 0.887 32.741 31.823 0.052 0.000 0.986 765 V HN 1.005 nan 8.190 nan 0.000 0.467 766 S N 2.839 118.609 115.700 0.116 0.000 2.704 766 S HA 1.022 5.492 4.470 0.001 0.000 0.296 766 S C -0.067 174.627 174.600 0.156 0.000 1.138 766 S CA -0.100 58.176 58.200 0.127 0.000 0.875 766 S CB 2.008 65.287 63.200 0.132 0.000 1.151 766 S HN 2.127 nan 8.310 nan 0.000 0.500 767 G N 0.369 109.260 108.800 0.152 0.000 2.549 767 G HA2 -0.012 3.949 3.960 0.001 0.000 0.404 767 G HA3 -0.012 3.949 3.960 0.001 0.000 0.404 767 G C 0.573 175.538 174.900 0.109 0.000 1.292 767 G CA 0.579 45.771 45.100 0.154 0.000 0.935 767 G HN 1.933 nan 8.290 nan 0.000 0.512 768 T N -1.801 112.809 114.554 0.093 0.000 2.849 768 T HA 0.168 4.519 4.350 0.001 0.000 0.270 768 T C 2.573 177.311 174.700 0.063 0.000 1.066 768 T CA 2.512 64.662 62.100 0.083 0.000 1.130 768 T CB -0.362 68.546 68.868 0.066 0.000 0.864 768 T HN 2.112 nan 8.240 nan 0.000 0.481 769 A N 2.061 124.907 122.820 0.043 0.000 2.019 769 A HA 0.170 4.491 4.320 0.001 0.000 0.219 769 A C 2.275 179.885 177.584 0.044 0.000 1.164 769 A CA 1.326 53.381 52.037 0.029 0.000 0.644 769 A CB -0.817 18.189 19.000 0.010 0.000 0.805 769 A HN 0.908 nan 8.150 nan 0.000 0.449 770 I N -4.555 116.054 120.570 0.065 0.000 3.956 770 I HA 0.269 4.440 4.170 0.001 0.000 0.333 770 I C 1.774 177.954 176.117 0.105 0.000 1.302 770 I CA 0.121 61.465 61.300 0.073 0.000 1.122 770 I CB -0.008 38.036 38.000 0.074 0.000 1.013 770 I HN 0.165 nan 8.210 nan 0.000 0.405 771 R N 2.169 122.742 120.500 0.123 0.000 2.105 771 R HA -0.071 4.270 4.340 0.001 0.000 0.239 771 R C -0.567 175.804 176.300 0.119 0.000 1.135 771 R CA 1.925 58.136 56.100 0.185 0.000 0.967 771 R CB -1.129 29.278 30.300 0.178 0.000 0.861 771 R HN 0.323 nan 8.270 nan 0.000 0.442 772 P HA -0.105 nan 4.420 nan 0.000 0.218 772 P C 1.036 178.357 177.300 0.035 0.000 1.149 772 P CA 1.220 64.334 63.100 0.023 0.000 0.817 772 P CB 0.015 31.726 31.700 0.017 0.000 0.785 773 I N -0.803 119.802 120.570 0.058 0.000 2.286 773 I HA -0.183 3.988 4.170 0.001 0.000 0.245 773 I C 2.310 178.481 176.117 0.090 0.000 1.104 773 I CA 1.311 62.647 61.300 0.060 0.000 1.397 773 I CB -0.730 37.303 38.000 0.056 0.000 1.072 773 I HN -0.095 nan 8.210 nan 0.000 0.417 774 A N 0.765 123.673 122.820 0.147 0.000 1.930 774 A HA -0.114 4.207 4.320 0.001 0.000 0.217 774 A C 2.309 180.055 177.584 0.270 0.000 1.175 774 A CA 1.183 53.360 52.037 0.235 0.000 0.627 774 A CB -0.747 18.447 19.000 0.324 0.000 0.815 774 A HN 0.349 nan 8.150 nan 0.000 0.443 775 L N -0.928 120.364 121.223 0.114 0.000 2.046 775 L HA -0.184 4.157 4.340 0.001 0.000 0.208 775 L C 2.826 179.672 176.870 -0.040 0.000 1.077 775 L CA 1.714 56.463 54.840 -0.152 0.000 0.747 775 L CB -0.375 41.491 42.059 -0.322 0.000 0.896 775 L HN 0.509 nan 8.230 nan 0.000 0.432 776 R N 0.188 120.690 120.500 0.003 0.000 2.073 776 R HA -0.188 4.153 4.340 0.001 0.000 0.234 776 R C 2.287 178.609 176.300 0.037 0.000 1.134 776 R CA 1.500 57.609 56.100 0.014 0.000 0.952 776 R CB -0.250 30.062 30.300 0.020 0.000 0.850 776 R HN 0.325 nan 8.270 nan 0.000 0.433 777 A N 0.476 123.333 122.820 0.062 0.000 1.877 777 A HA -0.112 4.209 4.320 0.001 0.000 0.216 777 A C 2.307 179.939 177.584 0.080 0.000 1.186 777 A CA 1.709 53.788 52.037 0.071 0.000 0.620 777 A CB -0.683 18.367 19.000 0.083 0.000 0.822 777 A HN 0.237 nan 8.150 nan 0.000 0.443 778 V N 0.713 120.694 119.914 0.111 0.000 2.295 778 V HA -0.266 3.855 4.120 0.001 0.000 0.246 778 V C 3.047 179.183 176.094 0.069 0.000 1.049 778 V CA 2.581 64.950 62.300 0.115 0.000 1.024 778 V CB -1.488 30.462 31.823 0.212 0.000 0.648 778 V HN 0.860 nan 8.190 nan 0.000 0.447 779 T N -3.378 111.200 114.554 0.040 0.000 2.777 779 T HA -0.245 4.106 4.350 0.001 0.000 0.266 779 T C 1.922 176.639 174.700 0.029 0.000 1.040 779 T CA 2.089 64.204 62.100 0.025 0.000 1.141 779 T CB -0.702 68.169 68.868 0.004 0.000 0.868 779 T HN 0.412 nan 8.240 nan 0.000 0.444 780 T N 0.963 115.536 114.554 0.032 0.000 2.821 780 T HA 0.108 4.459 4.350 0.001 0.000 0.267 780 T C 1.895 176.617 174.700 0.037 0.000 1.046 780 T CA 0.973 63.091 62.100 0.030 0.000 1.139 780 T CB -0.590 68.295 68.868 0.029 0.000 0.871 780 T HN 0.480 nan 8.240 nan 0.000 0.454 781 I N 0.999 121.600 120.570 0.052 0.000 2.252 781 I HA -0.070 4.101 4.170 0.001 0.000 0.245 781 I C 2.890 179.053 176.117 0.077 0.000 1.102 781 I CA 1.076 62.419 61.300 0.071 0.000 1.385 781 I CB -0.462 37.597 38.000 0.098 0.000 1.064 781 I HN 0.236 nan 8.210 nan 0.000 0.414 782 A N 0.880 123.739 122.820 0.065 0.000 1.933 782 A HA -0.191 4.130 4.320 0.001 0.000 0.218 782 A C 2.372 179.980 177.584 0.040 0.000 1.175 782 A CA 1.477 53.548 52.037 0.057 0.000 0.628 782 A CB -0.501 18.524 19.000 0.042 0.000 0.814 782 A HN 0.336 nan 8.150 nan 0.000 0.444 783 R N -0.847 119.669 120.500 0.028 0.000 2.093 783 R HA 0.084 4.425 4.340 0.001 0.000 0.224 783 R C 2.388 178.694 176.300 0.010 0.000 1.101 783 R CA 1.003 57.111 56.100 0.013 0.000 0.979 783 R CB -0.293 30.012 30.300 0.008 0.000 0.877 783 R HN 0.489 nan 8.270 nan 0.000 0.441 784 A N 0.754 123.583 122.820 0.014 0.000 1.930 784 A HA 0.065 4.386 4.320 0.001 0.000 0.215 784 A C 1.125 178.704 177.584 -0.008 0.000 1.176 784 A CA 0.696 52.734 52.037 0.001 0.000 0.632 784 A CB 0.186 19.186 19.000 0.000 0.000 0.819 784 A HN 0.134 nan 8.150 nan 0.000 0.445 785 L N 0.758 121.989 121.223 0.015 0.000 2.581 785 L HA 0.293 4.634 4.340 0.001 0.000 0.241 785 L C -2.787 174.123 176.870 0.066 0.000 1.265 785 L CA -1.920 52.925 54.840 0.008 0.000 0.954 785 L CB 1.206 43.255 42.059 -0.015 0.000 1.269 785 L HN -0.014 nan 8.230 nan 0.000 0.475 786 P HA 0.043 nan 4.420 nan 0.000 0.261 786 P C 1.078 178.416 177.300 0.064 0.000 1.183 786 P CA 0.952 64.076 63.100 0.040 0.000 0.761 786 P CB 0.879 32.586 31.700 0.013 0.000 0.785 787 G N 2.673 111.514 108.800 0.068 0.000 2.253 787 G HA2 -0.303 3.658 3.960 0.001 0.000 0.251 787 G HA3 -0.303 3.658 3.960 0.001 0.000 0.251 787 G C 0.097 175.074 174.900 0.129 0.000 0.998 787 G CA -0.443 44.701 45.100 0.072 0.000 0.621 787 G HN 0.528 nan 8.290 nan 0.000 0.524 788 F N 4.008 123.944 119.950 -0.022 0.000 2.533 788 F HA 0.529 5.057 4.527 0.001 0.000 0.378 788 F C -1.550 174.231 175.800 -0.031 0.000 1.070 788 F CA -2.737 55.250 58.000 -0.023 0.000 1.172 788 F CB 0.518 39.505 39.000 -0.022 0.000 1.085 788 F HN -0.050 nan 8.300 nan 0.000 0.552 789 P HA 0.103 nan 4.420 nan 0.000 0.262 789 P C -0.750 176.244 177.300 -0.509 0.000 1.182 789 P CA 0.637 63.496 63.100 -0.402 0.000 0.761 789 P CB 0.306 31.803 31.700 -0.340 0.000 0.795 790 I N 3.748 124.109 120.570 -0.347 0.000 2.466 790 I HA 0.259 4.430 4.170 0.001 0.000 0.289 790 I C -0.640 175.289 176.117 -0.314 0.000 1.026 790 I CA -0.927 60.202 61.300 -0.286 0.000 1.078 790 I CB 1.714 39.638 38.000 -0.127 0.000 1.249 790 I HN 0.025 nan 8.210 nan 0.000 0.429 791 L N 6.076 127.094 121.223 -0.342 0.000 2.265 791 L HA 0.624 4.965 4.340 0.001 0.000 0.289 791 L C 0.448 177.204 176.870 -0.190 0.000 1.033 791 L CA -0.063 54.581 54.840 -0.325 0.000 0.814 791 L CB 1.400 43.223 42.059 -0.393 0.000 1.203 791 L HN 0.638 nan 8.230 nan 0.000 0.423 792 A N 2.588 125.296 122.820 -0.187 0.000 2.354 792 A HA 0.838 5.159 4.320 0.001 0.000 0.269 792 A C -0.071 177.322 177.584 -0.319 0.000 1.109 792 A CA -0.163 51.722 52.037 -0.253 0.000 0.800 792 A CB 0.412 19.193 19.000 -0.365 0.000 1.045 792 A HN 0.640 nan 8.150 nan 0.000 0.489 793 T N 0.238 114.594 114.554 -0.329 0.000 3.105 793 T HA 0.655 5.006 4.350 0.001 0.000 0.321 793 T C -0.303 174.280 174.700 -0.196 0.000 1.135 793 T CA 0.180 62.142 62.100 -0.231 0.000 1.053 793 T CB 1.724 70.542 68.868 -0.083 0.000 1.133 793 T HN 2.095 nan 8.240 nan 0.000 0.463 794 G N 0.787 109.493 108.800 -0.158 0.000 2.273 794 G HA2 0.457 4.418 3.960 0.001 0.000 0.208 794 G HA3 0.457 4.418 3.960 0.001 0.000 0.208 794 G C 0.616 175.561 174.900 0.075 0.000 1.779 794 G CA 0.135 45.233 45.100 -0.003 0.000 1.173 794 G HN 1.657 nan 8.290 nan 0.000 0.616 795 G N -0.066 108.781 108.800 0.078 0.000 2.143 795 G HA2 -0.214 3.747 3.960 0.001 0.000 0.248 795 G HA3 -0.214 3.747 3.960 0.001 0.000 0.248 795 G C 0.494 175.472 174.900 0.131 0.000 0.991 795 G CA 0.335 45.511 45.100 0.127 0.000 0.689 795 G HN 1.405 nan 8.290 nan 0.000 0.522 796 I N 1.639 122.239 120.570 0.049 0.000 2.379 796 I HA 0.318 4.488 4.170 0.001 0.000 0.290 796 I C 0.594 176.725 176.117 0.024 0.000 1.063 796 I CA 0.321 61.640 61.300 0.031 0.000 1.351 796 I CB 0.896 38.849 38.000 -0.079 0.000 1.410 796 I HN 0.280 nan 8.210 nan 0.000 0.505 797 D N 3.467 123.861 120.400 -0.010 0.000 2.651 797 D HA 0.121 4.762 4.640 0.001 0.000 0.280 797 D C -0.231 176.024 176.300 -0.076 0.000 1.496 797 D CA -0.176 53.838 54.000 0.024 0.000 0.792 797 D CB 0.276 41.151 40.800 0.124 0.000 1.144 797 D HN 0.453 nan 8.370 nan 0.000 0.470 798 S N -2.140 113.347 115.700 -0.356 0.000 2.627 798 S HA 0.606 5.077 4.470 0.001 0.000 0.268 798 S C 0.741 175.166 174.600 -0.292 0.000 1.130 798 S CA -0.413 57.626 58.200 -0.268 0.000 0.819 798 S CB 1.001 64.192 63.200 -0.015 0.000 1.100 798 S HN 0.135 nan 8.310 nan 0.000 0.465 799 A N 0.671 123.427 122.820 -0.108 0.000 1.930 799 A HA -0.001 4.320 4.320 0.001 0.000 0.217 799 A C 1.939 179.568 177.584 0.075 0.000 1.175 799 A CA 1.661 53.735 52.037 0.061 0.000 0.627 799 A CB -0.959 18.108 19.000 0.112 0.000 0.815 799 A HN 0.894 nan 8.150 nan 0.000 0.443 800 E N 0.902 121.125 120.200 0.039 0.000 2.051 800 E HA -0.187 4.163 4.350 0.001 0.000 0.192 800 E C 2.254 178.887 176.600 0.055 0.000 0.991 800 E CA 1.905 58.331 56.400 0.044 0.000 0.799 800 E CB -0.185 29.533 29.700 0.030 0.000 0.748 800 E HN 0.679 nan 8.360 nan 0.000 0.449 801 S N -0.373 115.363 115.700 0.060 0.000 2.402 801 S HA -0.035 4.436 4.470 0.001 0.000 0.229 801 S C 2.230 176.951 174.600 0.201 0.000 1.021 801 S CA 1.030 59.298 58.200 0.114 0.000 0.974 801 S CB -0.751 62.524 63.200 0.124 0.000 0.800 801 S HN 0.347 nan 8.310 nan 0.000 0.484 802 G N 2.001 110.890 108.800 0.148 0.000 2.418 802 G HA2 -0.128 3.833 3.960 0.001 0.000 0.217 802 G HA3 -0.128 3.833 3.960 0.001 0.000 0.217 802 G C 1.357 176.315 174.900 0.096 0.000 1.158 802 G CA 0.988 46.187 45.100 0.165 0.000 0.771 802 G HN 0.476 nan 8.290 nan 0.000 0.545 803 L N 0.483 121.723 121.223 0.028 0.000 2.131 803 L HA -0.004 4.337 4.340 0.001 0.000 0.210 803 L C 2.802 179.593 176.870 -0.133 0.000 1.092 803 L CA 1.713 56.479 54.840 -0.123 0.000 0.759 803 L CB -0.551 41.428 42.059 -0.135 0.000 0.903 803 L HN 0.329 nan 8.230 nan 0.000 0.435 804 Q N -1.497 118.308 119.800 0.009 0.000 2.084 804 Q HA -0.201 4.140 4.340 0.001 0.000 0.202 804 Q C 2.159 178.121 176.000 -0.063 0.000 0.978 804 Q CA 1.917 57.720 55.803 0.000 0.000 0.844 804 Q CB -0.260 28.431 28.738 -0.079 0.000 0.898 804 Q HN 0.489 nan 8.270 nan 0.000 0.426 805 F N 0.474 120.417 119.950 -0.011 0.000 2.186 805 F HA -0.138 4.390 4.527 0.001 0.000 0.299 805 F C 2.002 177.776 175.800 -0.044 0.000 1.090 805 F CA 0.873 58.860 58.000 -0.021 0.000 1.307 805 F CB -0.125 38.852 39.000 -0.038 0.000 1.019 805 F HN 0.007 nan 8.300 nan 0.000 0.489 806 L N -1.047 120.217 121.223 0.070 0.000 2.017 806 L HA -0.257 4.084 4.340 0.001 0.000 0.208 806 L C 2.275 179.162 176.870 0.027 0.000 1.073 806 L CA 1.618 56.442 54.840 -0.027 0.000 0.745 806 L CB -0.973 41.002 42.059 -0.140 0.000 0.894 806 L HN 0.214 nan 8.230 nan 0.000 0.432 807 H N -1.143 117.934 119.070 0.011 0.000 2.456 807 H HA -0.107 4.450 4.556 0.001 0.000 0.296 807 H C 2.191 177.519 175.328 0.001 0.000 1.079 807 H CA 0.949 57.002 56.048 0.008 0.000 1.322 807 H CB 0.248 30.017 29.762 0.011 0.000 1.388 807 H HN 0.247 nan 8.280 nan 0.000 0.538 808 S N -1.136 114.629 115.700 0.109 0.000 2.562 808 S HA 0.096 4.567 4.470 0.001 0.000 0.221 808 S C 1.625 176.255 174.600 0.049 0.000 0.975 808 S CA 0.621 58.847 58.200 0.044 0.000 0.918 808 S CB 0.739 63.916 63.200 -0.037 0.000 0.772 808 S HN 0.777 nan 8.310 nan 0.000 0.531 809 G N 0.601 109.433 108.800 0.053 0.000 2.229 809 G HA2 -0.047 3.914 3.960 0.001 0.000 0.189 809 G HA3 -0.047 3.914 3.960 0.001 0.000 0.189 809 G C 0.102 175.003 174.900 0.001 0.000 1.000 809 G CA -0.278 44.839 45.100 0.028 0.000 0.663 809 G HN 0.725 nan 8.290 nan 0.000 0.493 810 A N 0.291 123.120 122.820 0.015 0.000 2.322 810 A HA 0.830 5.151 4.320 0.001 0.000 0.269 810 A C 1.297 178.813 177.584 -0.114 0.000 1.094 810 A CA 1.029 53.038 52.037 -0.046 0.000 0.807 810 A CB 1.039 20.044 19.000 0.009 0.000 1.047 810 A HN 0.710 nan 8.150 nan 0.000 0.487 811 S N -0.891 114.684 115.700 -0.208 0.000 2.502 811 S HA 0.218 4.688 4.470 0.001 0.000 0.228 811 S C 0.672 175.052 174.600 -0.366 0.000 1.061 811 S CA 0.763 58.806 58.200 -0.262 0.000 0.935 811 S CB 0.013 63.037 63.200 -0.292 0.000 0.809 811 S HN 1.179 nan 8.310 nan 0.000 0.510 812 V N -0.265 119.392 119.914 -0.429 0.000 3.102 812 V HA 0.722 4.843 4.120 0.001 0.000 0.312 812 V C -1.444 174.515 176.094 -0.224 0.000 1.135 812 V CA -1.173 60.859 62.300 -0.446 0.000 1.022 812 V CB 1.696 32.993 31.823 -0.877 0.000 1.056 812 V HN 0.146 nan 8.190 nan 0.000 0.436 813 L N 1.946 123.127 121.223 -0.070 0.000 2.372 813 L HA 0.602 4.943 4.340 0.001 0.000 0.274 813 L C -0.259 176.687 176.870 0.126 0.000 0.988 813 L CA -0.410 54.400 54.840 -0.051 0.000 0.833 813 L CB 1.725 43.689 42.059 -0.158 0.000 1.236 813 L HN 0.713 nan 8.230 nan 0.000 0.410 814 Q N 2.314 122.155 119.800 0.068 0.000 2.230 814 Q HA 0.700 5.040 4.340 0.001 0.000 0.253 814 Q C -1.024 175.003 176.000 0.045 0.000 0.919 814 Q CA -0.701 55.143 55.803 0.068 0.000 0.908 814 Q CB 3.094 31.878 28.738 0.075 0.000 1.245 814 Q HN 0.395 nan 8.270 nan 0.000 0.437 815 V N 1.041 121.004 119.914 0.082 0.000 2.709 815 V HA 0.300 4.420 4.120 0.001 0.000 0.308 815 V C -0.290 175.827 176.094 0.040 0.000 1.062 815 V CA -0.614 61.765 62.300 0.132 0.000 0.901 815 V CB 1.630 33.693 31.823 0.399 0.000 1.003 815 V HN 1.117 nan 8.190 nan 0.000 0.425 816 C N 2.282 121.609 119.300 0.046 0.000 3.066 816 C HA 0.104 4.564 4.460 0.001 0.000 0.277 816 C C 2.621 177.614 174.990 0.006 0.000 2.279 816 C CA 1.298 60.312 59.018 -0.006 0.000 1.720 816 C CB 0.542 28.267 27.740 -0.026 0.000 1.478 816 C HN 0.836 nan 8.230 nan 0.000 0.723 817 S N 1.711 117.439 115.700 0.046 0.000 2.387 817 S HA -0.138 4.333 4.470 0.001 0.000 0.230 817 S C 1.965 176.670 174.600 0.174 0.000 1.035 817 S CA 1.830 60.094 58.200 0.107 0.000 1.014 817 S CB -0.618 62.750 63.200 0.280 0.000 0.836 817 S HN 0.880 nan 8.310 nan 0.000 0.466 818 A N 0.607 123.543 122.820 0.193 0.000 2.019 818 A HA -0.006 4.315 4.320 0.001 0.000 0.219 818 A C 2.258 179.961 177.584 0.199 0.000 1.164 818 A CA 1.241 53.419 52.037 0.234 0.000 0.644 818 A CB -0.538 18.654 19.000 0.319 0.000 0.805 818 A HN 0.376 nan 8.150 nan 0.000 0.449 819 V N -0.454 119.550 119.914 0.149 0.000 2.535 819 V HA -0.217 3.903 4.120 0.001 0.000 0.246 819 V C 2.497 178.561 176.094 -0.049 0.000 1.045 819 V CA 1.827 64.168 62.300 0.069 0.000 1.058 819 V CB -0.693 31.155 31.823 0.042 0.000 0.689 819 V HN 0.615 nan 8.190 nan 0.000 0.461 820 Q N -0.050 119.693 119.800 -0.095 0.000 2.170 820 Q HA -0.173 4.168 4.340 0.001 0.000 0.203 820 Q C 1.908 177.880 176.000 -0.046 0.000 0.976 820 Q CA 1.242 56.920 55.803 -0.208 0.000 0.858 820 Q CB -0.187 28.221 28.738 -0.550 0.000 0.907 820 Q HN 0.560 nan 8.270 nan 0.000 0.433 821 N N -0.480 118.285 118.700 0.109 0.000 2.494 821 N HA -0.073 4.667 4.740 0.001 0.000 0.182 821 N C 0.978 176.547 175.510 0.098 0.000 1.076 821 N CA 0.749 53.918 53.050 0.198 0.000 0.908 821 N CB 0.520 39.151 38.487 0.240 0.000 0.967 821 N HN 0.192 nan 8.380 nan 0.000 0.449 822 Q N -0.099 119.729 119.800 0.047 0.000 2.012 822 Q HA 0.177 4.518 4.340 0.001 0.000 0.206 822 Q C -1.488 174.484 176.000 -0.046 0.000 0.627 822 Q CA 0.125 55.937 55.803 0.015 0.000 0.597 822 Q CB 0.562 29.324 28.738 0.039 0.000 2.100 822 Q HN 0.206 nan 8.270 nan 0.000 0.196 823 D N -2.218 118.156 120.400 -0.043 0.000 2.738 823 D HA 0.208 4.849 4.640 0.001 0.000 0.308 823 D C -0.332 175.986 176.300 0.030 0.000 1.311 823 D CA -0.584 53.340 54.000 -0.127 0.000 0.799 823 D CB -0.514 40.227 40.800 -0.098 0.000 1.332 823 D HN 0.135 nan 8.370 nan 0.000 0.441 824 F N 0.142 120.141 119.950 0.083 0.000 2.333 824 F HA -0.024 4.504 4.527 0.001 0.000 0.300 824 F C 2.664 178.616 175.800 0.253 0.000 1.083 824 F CA 1.545 59.691 58.000 0.244 0.000 1.395 824 F CB -1.145 37.955 39.000 0.167 0.000 1.056 824 F HN 0.640 nan 8.300 nan 0.000 0.529 825 T N -2.038 112.659 114.554 0.238 0.000 3.077 825 T HA -0.099 4.251 4.350 0.001 0.000 0.269 825 T C 1.926 176.557 174.700 -0.115 0.000 1.146 825 T CA 1.049 63.186 62.100 0.062 0.000 1.091 825 T CB -1.267 67.615 68.868 0.023 0.000 0.892 825 T HN 0.219 nan 8.240 nan 0.000 0.533 826 V N -0.713 119.103 119.914 -0.163 0.000 2.720 826 V HA -0.015 4.105 4.120 0.001 0.000 0.256 826 V C 2.320 177.777 176.094 -1.062 0.000 1.082 826 V CA 1.037 63.014 62.300 -0.538 0.000 1.101 826 V CB -1.343 30.153 31.823 -0.545 0.000 0.693 826 V HN 0.439 nan 8.190 nan 0.000 0.479 827 I N 0.858 120.884 120.570 -0.908 0.000 2.335 827 I HA -0.237 3.934 4.170 0.001 0.000 0.251 827 I C 2.513 178.223 176.117 -0.678 0.000 1.129 827 I CA 2.056 62.651 61.300 -1.175 0.000 1.402 827 I CB -0.656 36.478 38.000 -1.443 0.000 1.069 827 I HN 0.451 nan 8.210 nan 0.000 0.424 828 Q N 0.221 119.767 119.800 -0.423 0.000 2.124 828 Q HA -0.283 4.058 4.340 0.001 0.000 0.202 828 Q C 1.882 177.757 176.000 -0.208 0.000 0.977 828 Q CA 2.330 57.992 55.803 -0.234 0.000 0.850 828 Q CB -0.348 28.307 28.738 -0.138 0.000 0.901 828 Q HN 0.696 nan 8.270 nan 0.000 0.429 829 D N -0.890 119.347 120.400 -0.271 0.000 2.117 829 D HA -0.177 4.464 4.640 0.001 0.000 0.198 829 D C 1.566 177.835 176.300 -0.053 0.000 0.982 829 D CA 1.127 55.045 54.000 -0.136 0.000 0.828 829 D CB -0.101 40.628 40.800 -0.119 0.000 0.967 829 D HN 0.248 nan 8.370 nan 0.000 0.464 830 Y N 0.433 120.488 120.300 -0.409 0.000 2.181 830 Y HA -0.105 4.446 4.550 0.001 0.000 0.288 830 Y C 2.756 178.375 175.900 -0.468 0.000 1.146 830 Y CA 0.174 57.862 58.100 -0.687 0.000 1.164 830 Y CB -1.240 36.291 38.460 -1.548 0.000 0.982 830 Y HN 0.222 nan 8.280 nan 0.000 0.515 831 C N -0.229 118.962 119.300 -0.181 0.000 2.453 831 C HA -0.151 4.310 4.460 0.001 0.000 0.277 831 C C 2.882 177.931 174.990 0.098 0.000 1.262 831 C CA 1.840 60.882 59.018 0.040 0.000 1.718 831 C CB -1.393 26.355 27.740 0.014 0.000 2.031 831 C HN 0.704 nan 8.230 nan 0.000 0.480 832 T N -0.700 113.902 114.554 0.080 0.000 2.867 832 T HA -0.026 4.325 4.350 0.001 0.000 0.268 832 T C 1.919 176.749 174.700 0.217 0.000 1.057 832 T CA 1.789 63.998 62.100 0.182 0.000 1.136 832 T CB -0.740 68.238 68.868 0.183 0.000 0.874 832 T HN 0.519 nan 8.240 nan 0.000 0.466 833 G N 1.365 110.258 108.800 0.155 0.000 2.402 833 G HA2 -0.053 3.908 3.960 0.001 0.000 0.216 833 G HA3 -0.053 3.908 3.960 0.001 0.000 0.216 833 G C 1.439 176.424 174.900 0.141 0.000 1.162 833 G CA 0.834 46.024 45.100 0.150 0.000 0.777 833 G HN 0.454 nan 8.290 nan 0.000 0.539 834 L N 0.594 121.917 121.223 0.166 0.000 2.056 834 L HA 0.138 4.479 4.340 0.001 0.000 0.207 834 L C 2.710 179.653 176.870 0.122 0.000 1.078 834 L CA 1.749 56.694 54.840 0.174 0.000 0.749 834 L CB -0.473 41.758 42.059 0.286 0.000 0.901 834 L HN 0.128 nan 8.230 nan 0.000 0.433 835 K N -0.630 119.838 120.400 0.115 0.000 2.063 835 K HA -0.141 4.179 4.320 0.001 0.000 0.208 835 K C 2.078 178.694 176.600 0.028 0.000 1.048 835 K CA 1.410 57.738 56.287 0.068 0.000 0.928 835 K CB -0.408 32.122 32.500 0.050 0.000 0.713 835 K HN 0.457 nan 8.250 nan 0.000 0.442 836 A N 1.475 124.291 122.820 -0.008 0.000 1.877 836 A HA -0.134 4.187 4.320 0.001 0.000 0.216 836 A C 2.156 179.791 177.584 0.085 0.000 1.186 836 A CA 1.248 53.255 52.037 -0.050 0.000 0.620 836 A CB -0.666 18.341 19.000 0.012 0.000 0.822 836 A HN 0.155 nan 8.150 nan 0.000 0.443 837 L N -0.616 120.666 121.223 0.098 0.000 2.046 837 L HA -0.196 4.145 4.340 0.001 0.000 0.208 837 L C 2.566 179.489 176.870 0.088 0.000 1.077 837 L CA 1.129 56.029 54.840 0.101 0.000 0.747 837 L CB -0.488 41.624 42.059 0.087 0.000 0.896 837 L HN 0.388 nan 8.230 nan 0.000 0.432 838 L N -1.968 119.304 121.223 0.082 0.000 2.072 838 L HA -0.237 4.104 4.340 0.001 0.000 0.205 838 L C 2.597 179.506 176.870 0.066 0.000 1.079 838 L CA 1.180 56.059 54.840 0.064 0.000 0.752 838 L CB -0.683 41.411 42.059 0.059 0.000 0.906 838 L HN 0.188 nan 8.230 nan 0.000 0.436 839 Y N 1.046 121.324 120.300 -0.037 0.000 2.128 839 Y HA -0.256 4.295 4.550 0.001 0.000 0.284 839 Y C 2.387 178.252 175.900 -0.058 0.000 1.154 839 Y CA 1.575 59.640 58.100 -0.057 0.000 1.149 839 Y CB -0.208 38.191 38.460 -0.102 0.000 0.976 839 Y HN -0.008 nan 8.280 nan 0.000 0.505 840 L N 0.203 121.477 121.223 0.085 0.000 2.261 840 L HA -0.244 4.097 4.340 0.001 0.000 0.216 840 L C 2.137 178.943 176.870 -0.106 0.000 1.114 840 L CA 1.449 56.276 54.840 -0.022 0.000 0.777 840 L CB -0.492 41.594 42.059 0.046 0.000 0.910 840 L HN 0.197 nan 8.230 nan 0.000 0.440 841 K N -0.259 120.100 120.400 -0.069 0.000 2.442 841 K HA -0.086 4.234 4.320 0.001 0.000 0.198 841 K C 2.051 178.577 176.600 -0.123 0.000 1.042 841 K CA 1.331 57.579 56.287 -0.065 0.000 0.958 841 K CB -0.039 32.453 32.500 -0.013 0.000 0.766 841 K HN 0.364 nan 8.250 nan 0.000 0.474 842 S N 0.056 115.630 115.700 -0.210 0.000 2.535 842 S HA 0.113 4.584 4.470 0.001 0.000 0.214 842 S C 0.627 175.068 174.600 -0.264 0.000 0.980 842 S CA -0.337 57.721 58.200 -0.237 0.000 0.907 842 S CB 0.173 63.191 63.200 -0.304 0.000 0.790 842 S HN -0.031 nan 8.310 nan 0.000 0.510 843 I N 3.074 123.473 120.570 -0.284 0.000 2.281 843 I HA 0.323 4.494 4.170 0.001 0.000 0.293 843 I C 1.400 177.346 176.117 -0.285 0.000 1.085 843 I CA -0.222 60.908 61.300 -0.284 0.000 1.257 843 I CB 0.408 38.249 38.000 -0.266 0.000 1.430 843 I HN 0.397 nan 8.210 nan 0.000 0.489 844 E N 5.436 125.473 120.200 -0.272 0.000 2.085 844 E HA -0.214 4.137 4.350 0.001 0.000 0.194 844 E C 1.323 177.740 176.600 -0.306 0.000 0.994 844 E CA 1.417 57.671 56.400 -0.244 0.000 0.801 844 E CB 0.423 30.003 29.700 -0.201 0.000 0.743 844 E HN 0.617 nan 8.360 nan 0.000 0.453 845 E N 0.225 120.128 120.200 -0.496 0.000 2.516 845 E HA -0.133 4.217 4.350 0.001 0.000 0.199 845 E C 1.314 177.638 176.600 -0.461 0.000 1.069 845 E CA 0.490 56.551 56.400 -0.565 0.000 0.876 845 E CB 0.031 29.106 29.700 -1.043 0.000 0.843 845 E HN 0.421 nan 8.360 nan 0.000 0.530 846 L N 0.639 121.594 121.223 -0.447 0.000 3.066 846 L HA 0.198 4.538 4.340 0.001 0.000 0.265 846 L C 1.785 178.503 176.870 -0.253 0.000 1.232 846 L CA -0.138 54.391 54.840 -0.518 0.000 1.031 846 L CB 0.142 41.703 42.059 -0.830 0.000 1.379 846 L HN -0.073 nan 8.230 nan 0.000 0.563 847 Q N 0.595 120.315 119.800 -0.134 0.000 2.291 847 Q HA -0.112 4.229 4.340 0.001 0.000 0.206 847 Q C 2.110 178.150 176.000 0.067 0.000 0.976 847 Q CA 1.406 57.187 55.803 -0.036 0.000 0.875 847 Q CB -0.000 28.709 28.738 -0.049 0.000 0.927 847 Q HN 0.640 nan 8.270 nan 0.000 0.450 848 G N -0.565 108.317 108.800 0.138 0.000 2.650 848 G HA2 -0.107 3.854 3.960 0.001 0.000 0.214 848 G HA3 -0.107 3.854 3.960 0.001 0.000 0.214 848 G C -0.284 174.809 174.900 0.321 0.000 1.136 848 G CA -0.351 44.871 45.100 0.203 0.000 0.789 848 G HN 0.102 nan 8.290 nan 0.000 0.536 849 W N 0.328 121.644 121.300 0.027 0.000 2.161 849 W HA 0.471 5.132 4.660 0.001 0.000 0.344 849 W C -0.380 176.168 176.519 0.048 0.000 1.262 849 W CA -1.346 56.030 57.345 0.051 0.000 1.270 849 W CB 0.634 30.136 29.460 0.070 0.000 1.126 849 W HN -0.073 nan 8.180 nan 0.000 0.598 850 D N 0.624 121.182 120.400 0.264 0.000 2.473 850 D HA 0.415 5.055 4.640 0.001 0.000 0.226 850 D C 0.836 177.259 176.300 0.204 0.000 1.089 850 D CA 0.716 54.820 54.000 0.173 0.000 0.883 850 D CB 0.103 40.964 40.800 0.102 0.000 1.029 850 D HN 0.547 nan 8.370 nan 0.000 0.517 851 G N 3.939 112.867 108.800 0.213 0.000 2.561 851 G HA2 -0.359 3.602 3.960 0.001 0.000 0.289 851 G HA3 -0.359 3.602 3.960 0.001 0.000 0.289 851 G C 0.728 175.821 174.900 0.322 0.000 1.169 851 G CA 0.379 45.601 45.100 0.204 0.000 0.980 851 G HN 0.545 nan 8.290 nan 0.000 0.550 852 Q N 0.522 120.488 119.800 0.277 0.000 2.320 852 Q HA 0.319 4.660 4.340 0.001 0.000 0.201 852 Q C 0.449 176.732 176.000 0.472 0.000 0.910 852 Q CA 0.473 56.529 55.803 0.423 0.000 0.946 852 Q CB 0.425 29.291 28.738 0.214 0.000 1.062 852 Q HN 0.311 nan 8.270 nan 0.000 0.503 853 S N 2.633 118.514 115.700 0.302 0.000 2.430 853 S HA 0.309 4.780 4.470 0.001 0.000 0.289 853 S C -2.315 172.078 174.600 -0.346 0.000 1.143 853 S CA -1.161 57.108 58.200 0.116 0.000 1.067 853 S CB 1.000 64.294 63.200 0.156 0.000 0.964 853 S HN 0.032 nan 8.310 nan 0.000 0.485 854 P HA 0.161 nan 4.420 nan 0.000 0.272 854 P C 0.293 177.204 177.300 -0.648 0.000 1.230 854 P CA -0.255 61.842 63.100 -1.672 0.000 0.788 854 P CB 0.352 31.227 31.700 -1.376 0.000 0.949 855 G N 0.785 109.319 108.800 -0.442 0.000 2.305 855 G HA2 0.246 4.207 3.960 0.001 0.000 0.243 855 G HA3 0.246 4.207 3.960 0.001 0.000 0.243 855 G C -0.051 174.779 174.900 -0.116 0.000 1.288 855 G CA -0.182 44.834 45.100 -0.140 0.000 0.901 855 G HN 0.542 nan 8.290 nan 0.000 0.516 856 T N 0.777 115.299 114.554 -0.053 0.000 2.784 856 T HA 0.241 4.592 4.350 0.001 0.000 0.291 856 T C -0.050 174.677 174.700 0.044 0.000 0.942 856 T CA -0.430 61.664 62.100 -0.010 0.000 1.161 856 T CB 1.156 70.055 68.868 0.051 0.000 0.885 856 T HN 0.427 nan 8.240 nan 0.000 0.534 857 E N 2.793 123.025 120.200 0.052 0.000 2.266 857 E HA 0.283 4.633 4.350 0.001 0.000 0.277 857 E C 0.122 176.856 176.600 0.224 0.000 1.018 857 E CA -0.546 55.909 56.400 0.092 0.000 0.840 857 E CB 1.446 31.173 29.700 0.046 0.000 1.082 857 E HN 0.704 nan 8.360 nan 0.000 0.395 858 S N 3.725 119.501 115.700 0.126 0.000 2.626 858 S HA 0.000 4.471 4.470 0.001 0.000 0.303 858 S C 0.222 174.893 174.600 0.117 0.000 1.256 858 S CA 0.331 58.571 58.200 0.067 0.000 1.069 858 S CB -0.303 62.904 63.200 0.012 0.000 0.807 858 S HN 0.471 nan 8.310 nan 0.000 0.500 859 H N 1.119 120.190 119.070 0.002 0.000 2.990 859 H HA 0.548 5.105 4.556 0.001 0.000 0.336 859 H C -1.472 173.859 175.328 0.004 0.000 1.306 859 H CA -1.170 54.880 56.048 0.003 0.000 1.118 859 H CB 1.068 30.832 29.762 0.002 0.000 1.856 859 H HN 0.401 nan 8.280 nan 0.000 0.538 860 Q N 0.928 120.759 119.800 0.052 0.000 2.269 860 Q HA 0.229 4.570 4.340 0.001 0.000 0.263 860 Q C -0.471 175.580 176.000 0.084 0.000 0.983 860 Q CA -0.501 55.311 55.803 0.014 0.000 0.777 860 Q CB 2.393 31.129 28.738 -0.003 0.000 1.273 860 Q HN 0.866 nan 8.270 nan 0.000 0.440 861 K N 0.918 121.379 120.400 0.102 0.000 3.160 861 K HA -0.288 4.033 4.320 0.001 0.000 0.280 861 K C 0.663 177.315 176.600 0.085 0.000 1.154 861 K CA 0.759 57.093 56.287 0.079 0.000 0.822 861 K CB -1.275 31.246 32.500 0.035 0.000 1.239 861 K HN 1.144 nan 8.250 nan 0.000 0.489 862 G N -0.152 108.743 108.800 0.158 0.000 2.179 862 G HA2 -0.346 3.615 3.960 0.001 0.000 0.260 862 G HA3 -0.346 3.615 3.960 0.001 0.000 0.260 862 G C -0.079 174.857 174.900 0.059 0.000 0.977 862 G CA 0.927 46.058 45.100 0.050 0.000 0.641 862 G HN 0.320 nan 8.290 nan 0.000 0.533 863 K N 0.966 121.421 120.400 0.092 0.000 2.138 863 K HA 0.493 4.814 4.320 0.001 0.000 0.263 863 K C -2.613 174.043 176.600 0.093 0.000 0.965 863 K CA -2.142 54.186 56.287 0.070 0.000 0.868 863 K CB 1.623 34.149 32.500 0.043 0.000 1.083 863 K HN -0.052 nan 8.250 nan 0.000 0.443 864 P HA -0.102 nan 4.420 nan 0.000 0.264 864 P C -0.538 176.794 177.300 0.052 0.000 1.183 864 P CA -0.299 62.842 63.100 0.068 0.000 0.763 864 P CB 0.340 32.069 31.700 0.049 0.000 0.807 865 V N 2.025 121.966 119.914 0.045 0.000 2.614 865 V HA 0.261 4.382 4.120 0.001 0.000 0.291 865 V C -1.905 174.198 176.094 0.015 0.000 1.049 865 V CA -1.896 60.415 62.300 0.019 0.000 1.038 865 V CB 0.139 31.963 31.823 0.002 0.000 0.980 865 V HN 0.406 nan 8.190 nan 0.000 0.481 866 P HA 0.001 nan 4.420 nan 0.000 0.261 866 P C 0.502 177.804 177.300 0.005 0.000 1.463 866 P CA 0.154 63.259 63.100 0.008 0.000 0.834 866 P CB -0.558 31.142 31.700 0.001 0.000 1.715 867 R N 1.733 122.237 120.500 0.007 0.000 4.626 867 R HA -0.081 4.260 4.340 0.001 0.000 0.202 867 R C -0.472 175.829 176.300 0.002 0.000 0.462 867 R CA 0.653 56.755 56.100 0.003 0.000 0.938 867 R CB -1.385 28.919 30.300 0.007 0.000 0.917 867 R HN 0.280 nan 8.270 nan 0.000 0.293 868 I N 2.299 122.867 120.570 -0.002 0.000 2.769 868 I HA 0.237 4.408 4.170 0.001 0.000 0.298 868 I C 0.944 177.057 176.117 -0.006 0.000 1.128 868 I CA -0.698 60.600 61.300 -0.002 0.000 1.031 868 I CB 2.088 40.088 38.000 -0.001 0.000 1.235 868 I HN 0.453 nan 8.210 nan 0.000 0.423 869 A N 3.288 126.105 122.820 -0.005 0.000 1.908 869 A HA -0.148 4.173 4.320 0.001 0.000 0.218 869 A C 1.705 179.283 177.584 -0.009 0.000 1.181 869 A CA 1.620 53.653 52.037 -0.007 0.000 0.627 869 A CB -0.505 18.492 19.000 -0.006 0.000 0.818 869 A HN 0.848 nan 8.150 nan 0.000 0.445 870 E N -0.855 119.340 120.200 -0.008 0.000 2.515 870 E HA 0.011 4.362 4.350 0.001 0.000 0.201 870 E C 1.226 177.818 176.600 -0.014 0.000 1.071 870 E CA 0.386 56.780 56.400 -0.010 0.000 0.880 870 E CB -0.079 29.616 29.700 -0.008 0.000 0.828 870 E HN 0.647 nan 8.360 nan 0.000 0.540 871 L N -0.709 120.504 121.223 -0.016 0.000 2.730 871 L HA 0.207 4.548 4.340 0.001 0.000 0.236 871 L C 0.617 177.471 176.870 -0.027 0.000 1.061 871 L CA -0.182 54.644 54.840 -0.022 0.000 0.898 871 L CB 0.301 42.347 42.059 -0.022 0.000 1.270 871 L HN 0.085 nan 8.230 nan 0.000 0.500 872 M N 0.616 120.204 119.600 -0.021 0.000 2.252 872 M HA 0.146 4.626 4.480 0.001 0.000 0.348 872 M C 1.225 177.510 176.300 -0.024 0.000 1.334 872 M CA 1.080 56.367 55.300 -0.022 0.000 1.071 872 M CB 0.101 32.692 32.600 -0.015 0.000 1.763 872 M HN 0.286 nan 8.290 nan 0.000 0.452 873 G N 2.481 111.264 108.800 -0.029 0.000 2.225 873 G HA2 -0.308 3.653 3.960 0.001 0.000 0.267 873 G HA3 -0.308 3.653 3.960 0.001 0.000 0.267 873 G C 0.587 175.466 174.900 -0.034 0.000 1.024 873 G CA 0.775 45.857 45.100 -0.030 0.000 0.784 873 G HN 0.818 nan 8.290 nan 0.000 0.507 874 K N 0.355 120.729 120.400 -0.042 0.000 2.358 874 K HA 0.265 4.586 4.320 0.001 0.000 0.197 874 K C 1.116 177.676 176.600 -0.067 0.000 1.025 874 K CA 0.043 56.304 56.287 -0.043 0.000 1.104 874 K CB -0.094 32.385 32.500 -0.035 0.000 0.855 874 K HN 0.326 nan 8.250 nan 0.000 0.531 875 K N 1.222 121.566 120.400 -0.092 0.000 3.451 875 K HA -0.173 4.148 4.320 0.001 0.000 0.273 875 K C -1.031 175.424 176.600 -0.242 0.000 0.944 875 K CA 0.430 56.625 56.287 -0.154 0.000 0.734 875 K CB -1.391 31.025 32.500 -0.139 0.000 1.437 875 K HN 0.265 nan 8.250 nan 0.000 0.454 876 L N 1.595 122.694 121.223 -0.206 0.000 2.356 876 L HA 0.322 4.662 4.340 0.001 0.000 0.264 876 L C -1.589 175.110 176.870 -0.285 0.000 1.029 876 L CA -1.937 52.768 54.840 -0.224 0.000 0.897 876 L CB 0.704 42.713 42.059 -0.083 0.000 1.256 876 L HN 0.032 nan 8.230 nan 0.000 0.444 877 P HA 0.037 nan 4.420 nan 0.000 0.273 877 P C -0.583 176.515 177.300 -0.336 0.000 1.250 877 P CA -0.443 62.400 63.100 -0.428 0.000 0.793 877 P CB 0.875 32.179 31.700 -0.659 0.000 1.011 878 N N 0.585 119.214 118.700 -0.117 0.000 2.843 878 N HA 0.167 4.908 4.740 0.001 0.000 0.284 878 N C -0.333 175.251 175.510 0.124 0.000 1.274 878 N CA 0.287 53.333 53.050 -0.007 0.000 1.045 878 N CB -0.876 37.639 38.487 0.047 0.000 1.370 878 N HN 0.391 nan 8.380 nan 0.000 0.525 879 F N -3.167 116.808 119.950 0.043 0.000 2.741 879 F HA 0.650 5.178 4.527 0.001 0.000 0.313 879 F C 0.750 176.535 175.800 -0.025 0.000 1.153 879 F CA -0.768 57.248 58.000 0.026 0.000 0.931 879 F CB 0.439 39.477 39.000 0.064 0.000 1.335 879 F HN 0.086 nan 8.300 nan 0.000 0.460 880 G N 1.055 109.985 108.800 0.217 0.000 2.582 880 G HA2 -0.258 3.703 3.960 0.001 0.000 0.300 880 G HA3 -0.258 3.703 3.960 0.001 0.000 0.300 880 G C -1.557 173.200 174.900 -0.238 0.000 1.300 880 G CA 0.172 45.236 45.100 -0.061 0.000 0.959 880 G HN 0.824 nan 8.290 nan 0.000 0.548 881 P HA -0.108 nan 4.420 nan 0.000 0.220 881 P C 1.311 178.354 177.300 -0.430 0.000 1.148 881 P CA 2.221 65.062 63.100 -0.432 0.000 0.803 881 P CB -0.146 31.246 31.700 -0.513 0.000 0.782 882 Y N -0.028 120.081 120.300 -0.319 0.000 2.200 882 Y HA -0.106 4.445 4.550 0.001 0.000 0.290 882 Y C 2.616 178.370 175.900 -0.243 0.000 1.137 882 Y CA 0.607 58.515 58.100 -0.320 0.000 1.163 882 Y CB -1.626 36.529 38.460 -0.509 0.000 0.988 882 Y HN -0.126 nan 8.280 nan 0.000 0.518 883 L N 0.600 121.769 121.223 -0.090 0.000 2.046 883 L HA -0.175 4.166 4.340 0.001 0.000 0.208 883 L C 2.021 178.855 176.870 -0.062 0.000 1.077 883 L CA 1.758 56.560 54.840 -0.063 0.000 0.747 883 L CB -0.707 41.332 42.059 -0.033 0.000 0.896 883 L HN 0.206 nan 8.230 nan 0.000 0.432 884 E N -0.892 119.258 120.200 -0.083 0.000 2.085 884 E HA -0.334 4.017 4.350 0.001 0.000 0.194 884 E C 2.127 178.690 176.600 -0.063 0.000 0.994 884 E CA 1.616 57.972 56.400 -0.072 0.000 0.801 884 E CB -0.142 29.504 29.700 -0.090 0.000 0.743 884 E HN 0.643 nan 8.360 nan 0.000 0.453 885 Q N 0.784 120.541 119.800 -0.072 0.000 2.050 885 Q HA -0.178 4.163 4.340 0.001 0.000 0.202 885 Q C 2.136 178.113 176.000 -0.038 0.000 0.980 885 Q CA 1.426 57.197 55.803 -0.053 0.000 0.840 885 Q CB 0.105 28.814 28.738 -0.049 0.000 0.898 885 Q HN 0.126 nan 8.270 nan 0.000 0.424 886 R N 0.138 120.615 120.500 -0.039 0.000 2.083 886 R HA -0.133 4.208 4.340 0.001 0.000 0.237 886 R C 2.352 178.633 176.300 -0.032 0.000 1.137 886 R CA 1.708 57.787 56.100 -0.034 0.000 0.951 886 R CB -0.179 30.098 30.300 -0.039 0.000 0.851 886 R HN 0.201 nan 8.270 nan 0.000 0.434 887 K N 0.761 121.139 120.400 -0.035 0.000 2.103 887 K HA -0.186 4.135 4.320 0.001 0.000 0.207 887 K C 2.139 178.721 176.600 -0.029 0.000 1.048 887 K CA 1.273 57.539 56.287 -0.035 0.000 0.930 887 K CB -0.099 32.377 32.500 -0.039 0.000 0.716 887 K HN 0.104 nan 8.250 nan 0.000 0.444 888 K N 1.359 121.742 120.400 -0.028 0.000 2.057 888 K HA -0.114 4.206 4.320 0.001 0.000 0.206 888 K C 2.039 178.628 176.600 -0.018 0.000 1.050 888 K CA 1.157 57.431 56.287 -0.022 0.000 0.935 888 K CB -0.034 32.452 32.500 -0.024 0.000 0.715 888 K HN 0.052 nan 8.250 nan 0.000 0.439 889 I N 1.055 121.613 120.570 -0.019 0.000 2.226 889 I HA -0.288 3.883 4.170 0.001 0.000 0.245 889 I C 2.253 178.364 176.117 -0.011 0.000 1.100 889 I CA 1.169 62.460 61.300 -0.014 0.000 1.374 889 I CB -0.202 37.788 38.000 -0.016 0.000 1.057 889 I HN 0.192 nan 8.210 nan 0.000 0.413 890 I N 0.778 121.340 120.570 -0.014 0.000 2.226 890 I HA -0.273 3.898 4.170 0.001 0.000 0.245 890 I C 2.821 178.933 176.117 -0.009 0.000 1.100 890 I CA 1.308 62.602 61.300 -0.010 0.000 1.374 890 I CB -0.507 37.483 38.000 -0.016 0.000 1.057 890 I HN 0.176 nan 8.210 nan 0.000 0.413 891 A N 0.564 123.375 122.820 -0.015 0.000 1.902 891 A HA -0.234 4.087 4.320 0.001 0.000 0.217 891 A C 2.194 179.776 177.584 -0.004 0.000 1.181 891 A CA 1.766 53.794 52.037 -0.014 0.000 0.623 891 A CB -0.584 18.405 19.000 -0.017 0.000 0.818 891 A HN 0.454 nan 8.150 nan 0.000 0.443 892 E N -0.875 119.323 120.200 -0.002 0.000 2.106 892 E HA -0.209 4.141 4.350 0.001 0.000 0.192 892 E C 2.035 178.640 176.600 0.009 0.000 0.984 892 E CA 1.216 57.618 56.400 0.003 0.000 0.806 892 E CB -0.080 29.619 29.700 -0.000 0.000 0.750 892 E HN 0.720 nan 8.360 nan 0.000 0.458 893 E N 1.354 121.560 120.200 0.009 0.000 2.077 893 E HA -0.191 4.160 4.350 0.001 0.000 0.193 893 E C 1.698 178.315 176.600 0.027 0.000 0.989 893 E CA 1.266 57.675 56.400 0.016 0.000 0.800 893 E CB 0.125 29.833 29.700 0.014 0.000 0.746 893 E HN -0.061 nan 8.360 nan 0.000 0.452 894 K N -0.105 120.311 120.400 0.027 0.000 2.063 894 K HA -0.100 4.221 4.320 0.001 0.000 0.208 894 K C 1.967 178.596 176.600 0.047 0.000 1.048 894 K CA 1.243 57.555 56.287 0.043 0.000 0.928 894 K CB -0.338 32.179 32.500 0.028 0.000 0.713 894 K HN 0.316 nan 8.250 nan 0.000 0.442 895 M N 0.127 119.746 119.600 0.032 0.000 2.229 895 M HA -0.067 4.414 4.480 0.001 0.000 0.264 895 M C 2.120 178.441 176.300 0.034 0.000 1.063 895 M CA 1.194 56.513 55.300 0.032 0.000 1.114 895 M CB -0.758 31.855 32.600 0.021 0.000 1.387 895 M HN 0.120 nan 8.290 nan 0.000 0.420 896 R N 0.429 120.947 120.500 0.030 0.000 2.066 896 R HA -0.048 4.292 4.340 0.001 0.000 0.232 896 R C 2.200 178.522 176.300 0.038 0.000 1.131 896 R CA 1.025 57.142 56.100 0.029 0.000 0.955 896 R CB -0.177 30.137 30.300 0.023 0.000 0.851 896 R HN 0.298 nan 8.270 nan 0.000 0.432 897 L N 0.903 122.153 121.223 0.046 0.000 2.127 897 L HA -0.205 4.136 4.340 0.001 0.000 0.211 897 L C 2.640 179.548 176.870 0.063 0.000 1.089 897 L CA 1.442 56.316 54.840 0.058 0.000 0.757 897 L CB -0.452 41.649 42.059 0.070 0.000 0.899 897 L HN 0.245 nan 8.230 nan 0.000 0.434 898 K N 0.600 121.039 120.400 0.064 0.000 2.147 898 K HA -0.188 4.133 4.320 0.001 0.000 0.205 898 K C 1.609 178.238 176.600 0.049 0.000 1.049 898 K CA 1.504 57.830 56.287 0.065 0.000 0.936 898 K CB 0.108 32.648 32.500 0.066 0.000 0.722 898 K HN 0.435 nan 8.250 nan 0.000 0.446 899 E N 0.034 120.259 120.200 0.042 0.000 2.447 899 E HA -0.006 4.345 4.350 0.001 0.000 0.195 899 E C 0.196 176.815 176.600 0.033 0.000 1.028 899 E CA -0.073 56.347 56.400 0.033 0.000 0.876 899 E CB 0.447 30.163 29.700 0.028 0.000 0.885 899 E HN 0.388 nan 8.360 nan 0.000 0.500 900 Q N 1.007 120.831 119.800 0.040 0.000 2.407 900 Q HA 0.175 4.515 4.340 0.001 0.000 0.214 900 Q C 0.405 176.434 176.000 0.049 0.000 1.043 900 Q CA -0.260 55.570 55.803 0.045 0.000 0.983 900 Q CB 0.410 29.178 28.738 0.050 0.000 1.211 900 Q HN 0.121 nan 8.270 nan 0.000 0.564 901 N N 0.399 119.137 118.700 0.063 0.000 2.482 901 N HA 0.074 4.815 4.740 0.001 0.000 0.220 901 N C -0.284 175.285 175.510 0.099 0.000 1.255 901 N CA -0.003 53.086 53.050 0.064 0.000 0.850 901 N CB -0.207 38.330 38.487 0.082 0.000 1.127 901 N HN 0.436 nan 8.380 nan 0.000 0.475 902 A N 0.787 123.668 122.820 0.102 0.000 2.586 902 A HA 0.364 4.685 4.320 0.001 0.000 0.231 902 A C 1.012 178.608 177.584 0.020 0.000 1.055 902 A CA 0.687 52.810 52.037 0.143 0.000 0.756 902 A CB 0.127 19.193 19.000 0.110 0.000 0.988 902 A HN 0.559 nan 8.150 nan 0.000 0.509 903 A N 0.779 123.630 122.820 0.052 0.000 2.126 903 A HA 0.302 4.622 4.320 0.001 0.000 0.228 903 A C -0.495 176.918 177.584 -0.284 0.000 2.886 903 A CA -0.393 51.546 52.037 -0.163 0.000 1.917 903 A CB -1.276 17.308 19.000 -0.692 0.000 0.205 903 A HN 0.957 nan 8.150 nan 0.000 0.806 904 F N 0.904 120.903 119.950 0.081 0.000 2.438 904 F HA 0.415 4.943 4.527 0.002 0.000 0.315 904 F C -2.016 173.831 175.800 0.078 0.000 1.258 904 F CA -2.014 56.029 58.000 0.072 0.000 1.180 904 F CB 0.490 39.516 39.000 0.043 0.000 1.412 904 F HN 0.077 nan 8.300 nan 0.000 0.544 905 P HA 0.008 nan 4.420 nan 0.000 0.266 905 P C -2.104 175.286 177.300 0.150 0.000 1.186 905 P CA -0.480 62.705 63.100 0.140 0.000 0.767 905 P CB 0.059 31.813 31.700 0.090 0.000 0.820 906 P HA -0.071 nan 4.420 nan 0.000 0.275 906 P C -0.635 176.721 177.300 0.094 0.000 1.239 906 P CA 0.452 63.614 63.100 0.104 0.000 0.820 906 P CB 0.240 31.988 31.700 0.081 0.000 0.909 907 L N 0.876 122.144 121.223 0.075 0.000 2.261 907 L HA 0.181 4.522 4.340 0.001 0.000 0.289 907 L C 0.599 177.498 176.870 0.048 0.000 1.059 907 L CA -0.412 54.468 54.840 0.067 0.000 0.816 907 L CB -0.241 41.856 42.059 0.064 0.000 1.191 907 L HN 0.404 nan 8.230 nan 0.000 0.431 908 E N 4.127 124.355 120.200 0.047 0.000 3.691 908 E HA -0.168 4.183 4.350 0.001 0.000 0.274 908 E C -0.106 176.505 176.600 0.017 0.000 0.807 908 E CA 0.269 56.689 56.400 0.033 0.000 0.979 908 E CB 0.096 29.816 29.700 0.033 0.000 0.904 908 E HN 0.339 nan 8.360 nan 0.000 0.568 909 R N 3.025 123.527 120.500 0.003 0.000 2.678 909 R HA 0.006 4.347 4.340 0.001 0.000 0.264 909 R C -0.017 176.265 176.300 -0.030 0.000 0.995 909 R CA 0.720 56.805 56.100 -0.025 0.000 1.098 909 R CB 0.294 30.579 30.300 -0.025 0.000 0.949 909 R HN 0.351 nan 8.270 nan 0.000 0.422 910 K N 2.931 123.291 120.400 -0.066 0.000 2.731 910 K HA 0.281 4.602 4.320 0.001 0.000 0.257 910 K C -2.602 173.930 176.600 -0.114 0.000 1.032 910 K CA -1.853 54.407 56.287 -0.044 0.000 0.983 910 K CB 1.858 34.369 32.500 0.019 0.000 1.248 910 K HN 0.317 nan 8.250 nan 0.000 0.484 911 P HA 0.080 nan 4.420 nan 0.000 0.266 911 P C -0.347 176.954 177.300 0.002 0.000 1.195 911 P CA -0.029 62.989 63.100 -0.137 0.000 0.768 911 P CB 0.260 31.928 31.700 -0.054 0.000 0.838 912 F N 2.045 121.974 119.950 -0.035 0.000 2.418 912 F HA 0.351 4.879 4.527 0.001 0.000 0.341 912 F C 0.945 176.725 175.800 -0.033 0.000 1.120 912 F CA -0.651 57.319 58.000 -0.051 0.000 1.232 912 F CB 0.002 38.949 39.000 -0.088 0.000 1.175 912 F HN 0.143 nan 8.300 nan 0.000 0.569 913 I N 4.345 125.001 120.570 0.144 0.000 2.465 913 I HA 0.375 4.546 4.170 0.001 0.000 0.291 913 I C -2.354 173.736 176.117 -0.045 0.000 1.014 913 I CA -2.506 58.823 61.300 0.048 0.000 1.093 913 I CB 2.111 40.132 38.000 0.034 0.000 1.267 913 I HN 0.321 nan 8.210 nan 0.000 0.431 914 P HA 0.044 nan 4.420 nan 0.000 0.262 914 P C -0.688 176.539 177.300 -0.120 0.000 1.182 914 P CA 0.261 63.250 63.100 -0.185 0.000 0.761 914 P CB 0.356 31.924 31.700 -0.220 0.000 0.795 915 K N 2.181 122.503 120.400 -0.130 0.000 2.373 915 K HA 0.099 4.420 4.320 0.001 0.000 0.202 915 K C 0.571 177.120 176.600 -0.086 0.000 1.025 915 K CA 0.085 56.314 56.287 -0.097 0.000 1.115 915 K CB 0.265 32.704 32.500 -0.102 0.000 0.858 915 K HN 0.459 nan 8.250 nan 0.000 0.525 916 K N 0.193 120.536 120.400 -0.096 0.000 2.579 916 K HA 0.370 4.691 4.320 0.001 0.000 0.284 916 K C -3.200 173.353 176.600 -0.078 0.000 0.990 916 K CA -1.762 54.479 56.287 -0.077 0.000 0.880 916 K CB 1.431 33.887 32.500 -0.073 0.000 1.488 916 K HN -0.336 nan 8.250 nan 0.000 0.425 917 P HA 0.019 nan 4.420 nan 0.000 0.267 917 P C -0.441 176.825 177.300 -0.057 0.000 1.200 917 P CA -0.255 62.817 63.100 -0.047 0.000 0.772 917 P CB 0.254 31.936 31.700 -0.030 0.000 0.855 918 I N 4.246 124.785 120.570 -0.051 0.000 2.452 918 I HA 0.109 4.280 4.170 0.001 0.000 0.287 918 I C -1.812 174.295 176.117 -0.016 0.000 1.079 918 I CA -1.981 59.290 61.300 -0.047 0.000 1.387 918 I CB -0.027 37.966 38.000 -0.012 0.000 1.404 918 I HN 0.218 nan 8.210 nan 0.000 0.522 919 P HA 0.159 nan 4.420 nan 0.000 0.266 919 P C -0.403 176.903 177.300 0.010 0.000 1.195 919 P CA -0.168 62.933 63.100 0.002 0.000 0.768 919 P CB 0.692 32.400 31.700 0.013 0.000 0.838 920 A N 2.713 125.538 122.820 0.008 0.000 2.269 920 A HA 0.354 4.675 4.320 0.001 0.000 0.319 920 A C 1.471 179.055 177.584 -0.000 0.000 1.110 920 A CA -0.575 51.467 52.037 0.008 0.000 0.847 920 A CB 0.100 19.104 19.000 0.007 0.000 1.161 920 A HN 0.466 nan 8.150 nan 0.000 0.497 921 I N 0.562 121.126 120.570 -0.010 0.000 2.194 921 I HA -0.293 3.878 4.170 0.001 0.000 0.246 921 I C 2.451 178.550 176.117 -0.030 0.000 1.093 921 I CA 2.367 63.646 61.300 -0.034 0.000 1.355 921 I CB -1.154 36.812 38.000 -0.057 0.000 1.046 921 I HN 0.952 nan 8.210 nan 0.000 0.413 922 K N 0.472 120.860 120.400 -0.020 0.000 2.211 922 K HA -0.183 4.138 4.320 0.001 0.000 0.204 922 K C 1.145 177.743 176.600 -0.003 0.000 1.047 922 K CA 1.625 57.903 56.287 -0.015 0.000 0.935 922 K CB -0.314 32.180 32.500 -0.009 0.000 0.728 922 K HN 0.291 nan 8.250 nan 0.000 0.452 923 D N 1.208 121.610 120.400 0.003 0.000 2.317 923 D HA -0.066 4.575 4.640 0.001 0.000 0.211 923 D C 1.876 178.198 176.300 0.037 0.000 0.966 923 D CA 1.199 55.208 54.000 0.014 0.000 0.876 923 D CB 0.590 41.397 40.800 0.012 0.000 0.927 923 D HN 0.346 nan 8.370 nan 0.000 0.519 924 V N -1.748 118.193 119.914 0.045 0.000 3.621 924 V HA 0.225 4.345 4.120 0.001 0.000 0.263 924 V C 1.019 177.196 176.094 0.139 0.000 1.272 924 V CA -0.266 62.105 62.300 0.118 0.000 1.080 924 V CB -0.145 31.719 31.823 0.069 0.000 0.816 924 V HN -0.107 nan 8.190 nan 0.000 0.451 925 I N 3.220 123.818 120.570 0.047 0.000 2.741 925 I HA 0.362 4.533 4.170 0.001 0.000 0.288 925 I C 1.629 177.778 176.117 0.053 0.000 1.192 925 I CA 1.546 62.866 61.300 0.033 0.000 1.426 925 I CB 0.032 38.023 38.000 -0.015 0.000 1.367 925 I HN 0.532 nan 8.210 nan 0.000 0.563 926 G N 5.109 113.951 108.800 0.070 0.000 2.184 926 G HA2 -0.285 3.676 3.960 0.001 0.000 0.264 926 G HA3 -0.285 3.676 3.960 0.001 0.000 0.264 926 G C 1.153 176.075 174.900 0.036 0.000 0.975 926 G CA -0.047 45.082 45.100 0.048 0.000 0.642 926 G HN 0.600 nan 8.290 nan 0.000 0.536 927 K N 0.265 120.707 120.400 0.070 0.000 2.280 927 K HA 0.170 4.491 4.320 0.001 0.000 0.202 927 K C 2.622 179.199 176.600 -0.039 0.000 1.047 927 K CA 1.445 57.732 56.287 -0.000 0.000 0.942 927 K CB -0.487 32.020 32.500 0.012 0.000 0.739 927 K HN 0.799 nan 8.250 nan 0.000 0.457 928 A N 0.794 123.620 122.820 0.010 0.000 2.123 928 A HA 0.046 4.367 4.320 0.001 0.000 0.214 928 A C 2.091 179.726 177.584 0.086 0.000 1.152 928 A CA 0.282 52.383 52.037 0.108 0.000 0.728 928 A CB -0.354 18.690 19.000 0.074 0.000 0.814 928 A HN 0.157 nan 8.150 nan 0.000 0.464 929 L N 0.255 121.478 121.223 -0.000 0.000 2.187 929 L HA -0.292 4.048 4.340 0.001 0.000 0.213 929 L C 2.852 179.667 176.870 -0.092 0.000 1.100 929 L CA 1.663 56.489 54.840 -0.024 0.000 0.765 929 L CB -0.783 41.263 42.059 -0.022 0.000 0.904 929 L HN 0.710 nan 8.230 nan 0.000 0.437 930 Q N -0.333 119.330 119.800 -0.228 0.000 2.226 930 Q HA -0.225 4.116 4.340 0.001 0.000 0.204 930 Q C 1.565 177.339 176.000 -0.377 0.000 0.975 930 Q CA 1.758 57.347 55.803 -0.357 0.000 0.866 930 Q CB -0.482 27.929 28.738 -0.545 0.000 0.915 930 Q HN 0.505 nan 8.270 nan 0.000 0.440 931 Y N 0.783 121.052 120.300 -0.051 0.000 2.523 931 Y HA 0.289 4.840 4.550 0.001 0.000 0.279 931 Y C 0.745 176.618 175.900 -0.045 0.000 1.139 931 Y CA -0.181 57.888 58.100 -0.052 0.000 1.296 931 Y CB 0.409 38.833 38.460 -0.060 0.000 1.045 931 Y HN -0.001 nan 8.280 nan 0.000 0.538 932 L N 0.110 121.376 121.223 0.072 0.000 2.334 932 L HA 0.627 4.968 4.340 0.001 0.000 0.277 932 L C 0.684 177.562 176.870 0.013 0.000 1.075 932 L CA -0.106 54.759 54.840 0.041 0.000 0.804 932 L CB 1.119 43.197 42.059 0.031 0.000 1.174 932 L HN 0.257 nan 8.230 nan 0.000 0.438 933 G N 0.680 109.489 108.800 0.015 0.000 2.500 933 G HA2 0.384 4.345 3.960 0.001 0.000 0.299 933 G HA3 0.384 4.345 3.960 0.001 0.000 0.299 933 G C -0.790 174.123 174.900 0.023 0.000 1.242 933 G CA -0.056 45.049 45.100 0.008 0.000 0.859 933 G HN 0.526 nan 8.290 nan 0.000 0.481 934 T N -1.882 112.686 114.554 0.024 0.000 2.816 934 T HA 0.417 4.768 4.350 0.001 0.000 0.282 934 T C 1.086 175.829 174.700 0.072 0.000 0.993 934 T CA 0.079 62.215 62.100 0.061 0.000 0.994 934 T CB 1.200 70.102 68.868 0.057 0.000 1.025 934 T HN 0.598 nan 8.240 nan 0.000 0.529 935 F N 1.232 121.182 119.950 0.000 0.000 2.234 935 F HA 0.160 4.687 4.527 0.001 0.000 0.299 935 F C 2.360 178.160 175.800 -0.000 0.000 1.087 935 F CA 1.758 59.758 58.000 0.000 0.000 1.340 935 F CB -0.859 38.142 39.000 0.002 0.000 1.031 935 F HN 0.748 nan 8.300 nan 0.000 0.500 936 G N -0.285 108.572 108.800 0.095 0.000 2.448 936 G HA2 -0.231 3.730 3.960 0.001 0.000 0.219 936 G HA3 -0.231 3.730 3.960 0.001 0.000 0.219 936 G C 1.377 176.232 174.900 -0.075 0.000 1.127 936 G CA 0.768 45.882 45.100 0.022 0.000 0.766 936 G HN 0.496 nan 8.290 nan 0.000 0.552 937 E N -0.293 119.857 120.200 -0.083 0.000 2.482 937 E HA 0.128 4.479 4.350 0.001 0.000 0.196 937 E C 0.339 176.859 176.600 -0.134 0.000 1.047 937 E CA -0.245 56.105 56.400 -0.083 0.000 0.869 937 E CB 0.097 29.766 29.700 -0.052 0.000 0.836 937 E HN 0.362 nan 8.360 nan 0.000 0.520 938 L N 1.440 122.515 121.223 -0.246 0.000 2.305 938 L HA 0.143 4.483 4.340 0.001 0.000 0.281 938 L C 0.506 177.221 176.870 -0.259 0.000 1.085 938 L CA -0.513 54.151 54.840 -0.294 0.000 0.813 938 L CB 1.290 43.046 42.059 -0.506 0.000 1.157 938 L HN -0.081 nan 8.230 nan 0.000 0.436 939 S N 1.857 117.452 115.700 -0.175 0.000 2.505 939 S HA 0.080 4.551 4.470 0.001 0.000 0.276 939 S C 0.776 175.292 174.600 -0.140 0.000 1.274 939 S CA -0.735 57.386 58.200 -0.131 0.000 1.053 939 S CB 0.249 63.394 63.200 -0.093 0.000 0.919 939 S HN 0.736 nan 8.310 nan 0.000 0.490 940 N N 5.283 123.922 118.700 -0.103 0.000 2.270 940 N HA 0.119 4.860 4.740 0.001 0.000 0.198 940 N C 0.698 176.170 175.510 -0.062 0.000 1.117 940 N CA 0.049 53.054 53.050 -0.076 0.000 0.845 940 N CB 0.079 38.563 38.487 -0.005 0.000 0.980 940 N HN 0.511 nan 8.380 nan 0.000 0.486 941 I N 0.395 120.928 120.570 -0.062 0.000 2.927 941 I HA 0.062 4.233 4.170 0.001 0.000 0.268 941 I C 0.248 176.317 176.117 -0.081 0.000 1.153 941 I CA 0.409 61.683 61.300 -0.043 0.000 1.459 941 I CB -0.592 37.395 38.000 -0.023 0.000 1.149 941 I HN 0.223 nan 8.210 nan 0.000 0.443 942 E N 3.191 123.335 120.200 -0.095 0.000 1.852 942 E HA 0.075 4.426 4.350 0.001 0.000 0.276 942 E C -0.030 176.482 176.600 -0.147 0.000 1.163 942 E CA -0.172 56.168 56.400 -0.101 0.000 1.117 942 E CB 0.209 29.859 29.700 -0.082 0.000 1.124 942 E HN 0.293 nan 8.360 nan 0.000 0.458 943 Q N 0.861 120.539 119.800 -0.204 0.000 2.221 943 Q HA 0.415 4.756 4.340 0.001 0.000 0.242 943 Q C 0.233 176.112 176.000 -0.202 0.000 0.940 943 Q CA -0.508 55.114 55.803 -0.301 0.000 0.896 943 Q CB 2.044 30.417 28.738 -0.607 0.000 1.226 943 Q HN 0.308 nan 8.270 nan 0.000 0.463 944 V N -2.190 117.612 119.914 -0.188 0.000 3.126 944 V HA 0.907 5.028 4.120 0.001 0.000 0.314 944 V C -0.235 175.801 176.094 -0.096 0.000 1.138 944 V CA -0.979 61.253 62.300 -0.113 0.000 1.034 944 V CB 1.818 33.591 31.823 -0.084 0.000 1.075 944 V HN 0.578 nan 8.190 nan 0.000 0.442 945 V N -1.652 118.231 119.914 -0.052 0.000 3.078 945 V HA 1.023 5.144 4.120 0.001 0.000 0.311 945 V C 0.191 176.278 176.094 -0.012 0.000 1.138 945 V CA -0.504 61.780 62.300 -0.027 0.000 1.007 945 V CB 1.227 33.047 31.823 -0.006 0.000 1.045 945 V HN 1.897 nan 8.190 nan 0.000 0.432 946 A N 1.824 124.645 122.820 0.002 0.000 2.340 946 A HA 0.815 5.135 4.320 0.001 0.000 0.268 946 A C -0.366 177.227 177.584 0.016 0.000 1.100 946 A CA -0.488 51.555 52.037 0.011 0.000 0.803 946 A CB 0.942 19.955 19.000 0.022 0.000 1.043 946 A HN 1.465 nan 8.150 nan 0.000 0.488 947 V N 3.559 123.482 119.914 0.014 0.000 2.623 947 V HA 0.341 4.462 4.120 0.001 0.000 0.304 947 V C -0.488 175.615 176.094 0.016 0.000 1.054 947 V CA -0.172 62.138 62.300 0.015 0.000 0.882 947 V CB 1.602 33.430 31.823 0.008 0.000 1.002 947 V HN 0.765 nan 8.190 nan 0.000 0.424 948 I N 3.401 123.984 120.570 0.021 0.000 2.359 948 I HA 0.362 4.532 4.170 0.001 0.000 0.294 948 I C -0.272 175.850 176.117 0.009 0.000 0.987 948 I CA -0.384 60.928 61.300 0.020 0.000 1.225 948 I CB 1.592 39.613 38.000 0.035 0.000 1.366 948 I HN 0.536 nan 8.210 nan 0.000 0.466 949 D N 5.766 126.167 120.400 0.000 0.000 2.393 949 D HA 0.025 4.666 4.640 0.001 0.000 0.232 949 D C 0.957 177.245 176.300 -0.020 0.000 1.192 949 D CA 0.098 54.091 54.000 -0.012 0.000 0.882 949 D CB 0.919 41.708 40.800 -0.019 0.000 1.038 949 D HN 0.557 nan 8.370 nan 0.000 0.499 950 E N 2.379 122.568 120.200 -0.019 0.000 2.171 950 E HA -0.208 4.143 4.350 0.001 0.000 0.197 950 E C 1.058 177.634 176.600 -0.040 0.000 0.997 950 E CA 1.149 57.533 56.400 -0.026 0.000 0.810 950 E CB 0.382 30.061 29.700 -0.035 0.000 0.738 950 E HN 0.440 nan 8.360 nan 0.000 0.467 951 E N -0.545 119.626 120.200 -0.047 0.000 2.268 951 E HA -0.130 4.220 4.350 0.001 0.000 0.195 951 E C 1.688 178.235 176.600 -0.087 0.000 0.995 951 E CA 0.900 57.265 56.400 -0.058 0.000 0.836 951 E CB 0.007 29.678 29.700 -0.049 0.000 0.763 951 E HN 0.493 nan 8.360 nan 0.000 0.491 952 M N -0.573 118.963 119.600 -0.107 0.000 2.465 952 M HA 0.064 4.545 4.480 0.001 0.000 0.249 952 M C 1.075 177.310 176.300 -0.108 0.000 1.130 952 M CA -0.191 54.998 55.300 -0.186 0.000 1.067 952 M CB 0.633 33.099 32.600 -0.224 0.000 1.394 952 M HN -0.086 nan 8.290 nan 0.000 0.483 953 C N 2.773 122.048 119.300 -0.042 0.000 2.642 953 C HA 0.139 4.600 4.460 0.001 0.000 0.420 953 C C 1.637 176.653 174.990 0.042 0.000 1.349 953 C CA -0.374 58.651 59.018 0.012 0.000 1.821 953 C CB -0.486 27.279 27.740 0.041 0.000 2.637 953 C HN 0.636 nan 8.230 nan 0.000 0.605 954 I N 1.533 122.142 120.570 0.066 0.000 3.889 954 I HA 0.358 4.528 4.170 0.001 0.000 0.332 954 I C 0.466 176.672 176.117 0.147 0.000 1.493 954 I CA -0.278 61.079 61.300 0.095 0.000 1.158 954 I CB -0.915 37.124 38.000 0.064 0.000 1.117 954 I HN 0.827 nan 8.210 nan 0.000 0.411 955 N N 0.247 119.060 118.700 0.189 0.000 2.708 955 N HA -0.257 4.484 4.740 0.001 0.000 0.249 955 N C 1.166 176.835 175.510 0.265 0.000 1.097 955 N CA 1.097 54.322 53.050 0.291 0.000 0.710 955 N CB -2.252 36.465 38.487 0.383 0.000 1.032 955 N HN 0.872 nan 8.380 nan 0.000 0.551 956 C N -2.782 116.595 119.300 0.128 0.000 2.468 956 C HA 0.480 4.941 4.460 0.001 0.000 0.277 956 C C 2.188 177.098 174.990 -0.133 0.000 1.400 956 C CA 0.426 59.453 59.018 0.015 0.000 1.770 956 C CB -0.955 26.780 27.740 -0.008 0.000 1.905 956 C HN 1.013 nan 8.230 nan 0.000 0.519 957 G N 0.866 109.528 108.800 -0.231 0.000 2.143 957 G HA2 -0.296 3.665 3.960 0.001 0.000 0.248 957 G HA3 -0.296 3.665 3.960 0.001 0.000 0.248 957 G C 0.843 175.544 174.900 -0.331 0.000 0.991 957 G CA 0.724 45.389 45.100 -0.726 0.000 0.689 957 G HN 0.649 nan 8.290 nan 0.000 0.522 958 K N -0.367 119.935 120.400 -0.164 0.000 2.097 958 K HA -0.085 4.235 4.320 0.001 0.000 0.205 958 K C 2.963 179.518 176.600 -0.075 0.000 1.050 958 K CA 1.764 57.988 56.287 -0.104 0.000 0.938 958 K CB -0.465 31.997 32.500 -0.064 0.000 0.718 958 K HN 0.840 nan 8.250 nan 0.000 0.442 959 C N -0.276 118.997 119.300 -0.045 0.000 2.429 959 C HA -0.130 4.330 4.460 0.001 0.000 0.277 959 C C 2.535 177.535 174.990 0.017 0.000 1.262 959 C CA 0.272 59.290 59.018 -0.001 0.000 1.733 959 C CB -1.355 26.404 27.740 0.032 0.000 2.010 959 C HN 0.433 nan 8.230 nan 0.000 0.483 960 Y N 2.192 122.385 120.300 -0.178 0.000 2.128 960 Y HA -0.129 4.422 4.550 0.001 0.000 0.284 960 Y C 2.592 178.398 175.900 -0.158 0.000 1.154 960 Y CA 2.070 60.058 58.100 -0.187 0.000 1.149 960 Y CB -0.641 37.575 38.460 -0.407 0.000 0.976 960 Y HN 0.256 nan 8.280 nan 0.000 0.505 961 M N -1.356 118.101 119.600 -0.239 0.000 2.175 961 M HA -0.207 4.273 4.480 0.001 0.000 0.264 961 M C 2.332 178.512 176.300 -0.199 0.000 1.063 961 M CA 2.109 57.237 55.300 -0.287 0.000 1.119 961 M CB -0.608 31.878 32.600 -0.190 0.000 1.377 961 M HN 0.270 nan 8.290 nan 0.000 0.415 962 T N -0.738 113.741 114.554 -0.125 0.000 2.821 962 T HA -0.166 4.184 4.350 0.001 0.000 0.267 962 T C 1.843 176.498 174.700 -0.076 0.000 1.046 962 T CA 1.335 63.385 62.100 -0.084 0.000 1.139 962 T CB -0.250 68.591 68.868 -0.045 0.000 0.871 962 T HN 0.545 nan 8.240 nan 0.000 0.454 963 C N 1.605 120.866 119.300 -0.065 0.000 2.450 963 C HA 0.045 4.506 4.460 0.001 0.000 0.279 963 C C 2.589 177.522 174.990 -0.095 0.000 1.335 963 C CA 0.663 59.664 59.018 -0.027 0.000 1.749 963 C CB -1.501 26.261 27.740 0.036 0.000 1.963 963 C HN 0.550 nan 8.230 nan 0.000 0.501 964 N N 1.316 119.899 118.700 -0.196 0.000 2.106 964 N HA -0.058 4.683 4.740 0.001 0.000 0.188 964 N C 0.935 176.336 175.510 -0.181 0.000 1.029 964 N CA 1.583 54.491 53.050 -0.236 0.000 0.848 964 N CB -0.442 37.797 38.487 -0.415 0.000 1.007 964 N HN 0.552 nan 8.380 nan 0.000 0.423 965 D N -1.259 119.040 120.400 -0.168 0.000 2.369 965 D HA 0.202 4.842 4.640 0.001 0.000 0.211 965 D C 0.158 176.387 176.300 -0.118 0.000 1.077 965 D CA 0.293 54.213 54.000 -0.134 0.000 0.842 965 D CB 0.432 41.158 40.800 -0.122 0.000 0.947 965 D HN -0.004 nan 8.370 nan 0.000 0.509 966 S N -0.929 114.701 115.700 -0.118 0.000 2.993 966 S HA 0.428 4.899 4.470 0.001 0.000 0.257 966 S C 0.665 175.196 174.600 -0.115 0.000 0.997 966 S CA -0.252 57.887 58.200 -0.101 0.000 1.191 966 S CB 1.833 64.995 63.200 -0.065 0.000 1.143 966 S HN 0.298 nan 8.310 nan 0.000 0.655 967 G N 0.454 109.159 108.800 -0.159 0.000 3.310 967 G HA2 0.492 4.453 3.960 0.001 0.000 0.174 967 G HA3 0.492 4.453 3.960 0.001 0.000 0.174 967 G C -0.961 173.648 174.900 -0.486 0.000 1.097 967 G CA -0.314 44.679 45.100 -0.177 0.000 0.795 967 G HN 0.243 nan 8.290 nan 0.000 0.670 968 Y N 0.495 120.793 120.300 -0.004 0.000 2.706 968 Y HA 0.339 4.890 4.550 0.001 0.000 0.255 968 Y C 0.540 176.443 175.900 0.005 0.000 1.163 968 Y CA -0.649 57.454 58.100 0.005 0.000 1.174 968 Y CB 0.573 39.048 38.460 0.024 0.000 1.200 968 Y HN 0.300 nan 8.280 nan 0.000 0.544 969 Q N -0.022 119.811 119.800 0.055 0.000 2.416 969 Q HA -0.243 4.098 4.340 0.001 0.000 0.319 969 Q C 0.955 177.018 176.000 0.105 0.000 1.318 969 Q CA 0.903 56.730 55.803 0.039 0.000 0.915 969 Q CB -1.638 27.107 28.738 0.012 0.000 1.184 969 Q HN 0.579 nan 8.270 nan 0.000 0.444 970 A N -0.767 122.134 122.820 0.135 0.000 2.348 970 A HA 0.400 4.721 4.320 0.001 0.000 0.224 970 A C 0.452 178.120 177.584 0.140 0.000 1.227 970 A CA -0.111 52.007 52.037 0.134 0.000 0.885 970 A CB 0.581 19.660 19.000 0.132 0.000 0.933 970 A HN 0.414 nan 8.150 nan 0.000 0.506 971 I N 0.680 121.359 120.570 0.183 0.000 2.377 971 I HA 0.219 4.390 4.170 0.001 0.000 0.293 971 I C -0.407 175.884 176.117 0.290 0.000 0.987 971 I CA -0.434 61.000 61.300 0.223 0.000 1.185 971 I CB 1.804 39.956 38.000 0.253 0.000 1.341 971 I HN 0.223 nan 8.210 nan 0.000 0.455 972 Q N 4.883 124.795 119.800 0.186 0.000 2.257 972 Q HA 0.394 4.734 4.340 0.001 0.000 0.255 972 Q C -1.291 174.752 176.000 0.073 0.000 0.920 972 Q CA -0.519 55.366 55.803 0.136 0.000 0.927 972 Q CB 2.351 31.142 28.738 0.088 0.000 1.229 972 Q HN 0.408 nan 8.270 nan 0.000 0.433 973 F N 2.478 122.216 119.950 -0.355 0.000 2.403 973 F HA 0.206 4.734 4.527 0.001 0.000 0.355 973 F C -0.360 175.314 175.800 -0.209 0.000 1.119 973 F CA -1.496 56.223 58.000 -0.469 0.000 1.007 973 F CB 0.941 39.214 39.000 -1.213 0.000 1.194 973 F HN 0.485 nan 8.300 nan 0.000 0.443 974 D N 8.011 128.206 120.400 -0.342 0.000 2.450 974 D HA 0.111 4.752 4.640 0.001 0.000 0.247 974 D C -1.474 174.718 176.300 -0.179 0.000 1.162 974 D CA -1.026 52.848 54.000 -0.210 0.000 0.879 974 D CB 1.249 41.954 40.800 -0.159 0.000 1.163 974 D HN 0.295 nan 8.370 nan 0.000 0.472 975 P HA -0.104 nan 4.420 nan 0.000 0.226 975 P C 0.301 177.726 177.300 0.209 0.000 1.153 975 P CA 0.880 64.057 63.100 0.128 0.000 0.777 975 P CB 0.516 32.285 31.700 0.115 0.000 0.794 976 E N -0.462 119.820 120.200 0.137 0.000 2.206 976 E HA -0.000 4.351 4.350 0.001 0.000 0.195 976 E C 1.950 178.718 176.600 0.281 0.000 0.935 976 E CA 1.577 58.114 56.400 0.228 0.000 0.875 976 E CB -0.882 28.924 29.700 0.177 0.000 0.841 976 E HN 0.341 nan 8.360 nan 0.000 0.477 977 T N -2.841 111.722 114.554 0.014 0.000 3.044 977 T HA 0.045 4.396 4.350 0.001 0.000 0.250 977 T C 0.485 175.254 174.700 0.116 0.000 1.081 977 T CA 0.206 62.184 62.100 -0.204 0.000 1.040 977 T CB -0.356 68.222 68.868 -0.484 0.000 0.962 977 T HN 0.290 nan 8.240 nan 0.000 0.506 978 H N 0.481 119.460 119.070 -0.151 0.000 2.791 978 H HA -0.095 4.462 4.556 0.001 0.000 0.302 978 H C -0.817 174.248 175.328 -0.438 0.000 1.198 978 H CA -0.156 55.529 56.048 -0.604 0.000 1.145 978 H CB -1.739 27.980 29.762 -0.072 0.000 1.385 978 H HN 0.427 nan 8.280 nan 0.000 0.409 979 L N 2.120 123.195 121.223 -0.246 0.000 2.307 979 L HA 0.424 4.765 4.340 0.001 0.000 0.284 979 L C -1.946 174.916 176.870 -0.013 0.000 1.023 979 L CA -1.742 53.057 54.840 -0.067 0.000 0.810 979 L CB 1.440 43.443 42.059 -0.093 0.000 1.231 979 L HN -0.034 nan 8.230 nan 0.000 0.423 980 P HA 0.289 nan 4.420 nan 0.000 0.290 980 P C -1.103 176.259 177.300 0.102 0.000 1.275 980 P CA -0.435 62.789 63.100 0.207 0.000 0.841 980 P CB 1.908 33.762 31.700 0.256 0.000 1.042 981 T N 1.537 116.148 114.554 0.094 0.000 2.881 981 T HA 0.248 4.599 4.350 0.001 0.000 0.291 981 T C -0.175 174.573 174.700 0.081 0.000 0.990 981 T CA -0.403 61.736 62.100 0.066 0.000 0.976 981 T CB 1.012 69.906 68.868 0.043 0.000 0.970 981 T HN 0.075 nan 8.240 nan 0.000 0.438 982 V N 4.765 124.720 119.914 0.069 0.000 2.488 982 V HA 0.369 4.490 4.120 0.001 0.000 0.277 982 V C 1.241 177.371 176.094 0.061 0.000 1.046 982 V CA -0.340 62.003 62.300 0.071 0.000 0.986 982 V CB 0.838 32.695 31.823 0.056 0.000 0.989 982 V HN 1.092 nan 8.190 nan 0.000 0.475 983 T N 0.374 114.970 114.554 0.070 0.000 2.849 983 T HA 0.198 4.548 4.350 0.001 0.000 0.276 983 T C 0.944 175.675 174.700 0.052 0.000 0.971 983 T CA -0.462 61.673 62.100 0.059 0.000 0.949 983 T CB 1.039 69.948 68.868 0.067 0.000 1.093 983 T HN 0.567 nan 8.240 nan 0.000 0.545 984 D N 0.211 120.639 120.400 0.045 0.000 2.310 984 D HA -0.096 4.545 4.640 0.001 0.000 0.212 984 D C 1.920 178.246 176.300 0.042 0.000 0.965 984 D CA 1.535 55.559 54.000 0.041 0.000 0.879 984 D CB -0.322 40.497 40.800 0.033 0.000 0.921 984 D HN 0.803 nan 8.370 nan 0.000 0.510 985 T N -1.792 112.791 114.554 0.049 0.000 3.148 985 T HA -0.012 4.339 4.350 0.001 0.000 0.253 985 T C 1.360 176.084 174.700 0.040 0.000 1.134 985 T CA -0.382 61.746 62.100 0.048 0.000 1.051 985 T CB -0.971 67.940 68.868 0.071 0.000 0.959 985 T HN 0.119 nan 8.240 nan 0.000 0.525 986 C N 3.850 123.175 119.300 0.041 0.000 2.634 986 C HA 0.382 4.843 4.460 0.001 0.000 0.417 986 C C 2.096 177.069 174.990 -0.028 0.000 1.334 986 C CA 0.583 59.610 59.018 0.015 0.000 1.829 986 C CB -0.015 27.742 27.740 0.029 0.000 2.665 986 C HN 0.710 nan 8.230 nan 0.000 0.614 987 T N 1.036 115.496 114.554 -0.156 0.000 3.044 987 T HA 0.332 4.683 4.350 0.001 0.000 0.260 987 T C 1.222 175.840 174.700 -0.136 0.000 1.019 987 T CA 0.887 62.896 62.100 -0.151 0.000 0.921 987 T CB -0.087 68.443 68.868 -0.564 0.000 1.053 987 T HN 2.227 nan 8.240 nan 0.000 0.533 988 G N 1.273 110.015 108.800 -0.095 0.000 2.160 988 G HA2 -0.376 3.585 3.960 0.001 0.000 0.251 988 G HA3 -0.376 3.585 3.960 0.001 0.000 0.251 988 G C 1.314 176.186 174.900 -0.047 0.000 1.008 988 G CA 0.473 45.528 45.100 -0.074 0.000 0.724 988 G HN 1.256 nan 8.290 nan 0.000 0.514 989 C N -2.044 117.244 119.300 -0.020 0.000 2.411 989 C HA 0.217 4.678 4.460 0.001 0.000 0.279 989 C C 2.287 177.300 174.990 0.038 0.000 1.288 989 C CA 1.598 60.641 59.018 0.043 0.000 1.764 989 C CB -1.145 26.686 27.740 0.152 0.000 1.974 989 C HN 1.664 nan 8.230 nan 0.000 0.498 990 T N -0.304 114.267 114.554 0.029 0.000 5.686 990 T HA -0.214 4.137 4.350 0.001 0.000 0.270 990 T C 0.557 175.273 174.700 0.027 0.000 2.203 990 T CA 1.015 63.128 62.100 0.020 0.000 3.730 990 T CB -1.976 66.897 68.868 0.008 0.000 0.770 990 T HN 0.706 nan 8.240 nan 0.000 1.144 991 L N 0.797 122.045 121.223 0.041 0.000 2.093 991 L HA -0.158 4.183 4.340 0.001 0.000 0.208 991 L C 3.068 179.951 176.870 0.020 0.000 1.085 991 L CA 2.270 57.129 54.840 0.030 0.000 0.755 991 L CB -0.466 41.615 42.059 0.036 0.000 0.904 991 L HN 0.862 nan 8.230 nan 0.000 0.435 992 C N -1.293 118.023 119.300 0.028 0.000 2.432 992 C HA -0.197 4.264 4.460 0.001 0.000 0.277 992 C C 2.565 177.565 174.990 0.017 0.000 1.249 992 C CA 0.431 59.462 59.018 0.021 0.000 1.725 992 C CB -1.293 26.468 27.740 0.035 0.000 2.028 992 C HN 0.568 nan 8.230 nan 0.000 0.477 993 L N 1.793 123.027 121.223 0.018 0.000 2.079 993 L HA -0.120 4.221 4.340 0.001 0.000 0.210 993 L C 2.600 179.476 176.870 0.011 0.000 1.081 993 L CA 2.079 56.928 54.840 0.014 0.000 0.752 993 L CB -0.403 41.663 42.059 0.012 0.000 0.896 993 L HN 0.425 nan 8.230 nan 0.000 0.433 994 S N -0.794 114.912 115.700 0.009 0.000 2.447 994 S HA -0.099 4.372 4.470 0.001 0.000 0.233 994 S C 1.565 176.167 174.600 0.002 0.000 1.006 994 S CA 1.228 59.432 58.200 0.006 0.000 0.957 994 S CB -0.070 63.134 63.200 0.006 0.000 0.773 994 S HN 0.594 nan 8.310 nan 0.000 0.507 995 V N -1.952 117.962 119.914 -0.000 0.000 3.643 995 V HA 0.357 4.478 4.120 0.001 0.000 0.280 995 V C 0.808 176.899 176.094 -0.005 0.000 1.351 995 V CA -0.755 61.541 62.300 -0.007 0.000 1.073 995 V CB -0.925 30.888 31.823 -0.016 0.000 0.863 995 V HN 0.439 nan 8.190 nan 0.000 0.436 996 C N 4.643 123.944 119.300 0.002 0.000 2.648 996 C HA 0.386 4.847 4.460 0.001 0.000 0.415 996 C C 0.481 175.477 174.990 0.009 0.000 1.366 996 C CA -0.376 58.646 59.018 0.006 0.000 1.756 996 C CB 0.738 28.486 27.740 0.013 0.000 2.549 996 C HN 0.593 nan 8.230 nan 0.000 0.597 997 P HA 0.023 nan 4.420 nan 0.000 0.229 997 P C 0.173 177.487 177.300 0.023 0.000 1.160 997 P CA 1.019 64.126 63.100 0.012 0.000 0.777 997 P CB -0.026 31.680 31.700 0.009 0.000 0.814 998 I N 1.615 122.201 120.570 0.026 0.000 2.304 998 I HA 0.215 4.386 4.170 0.001 0.000 0.291 998 I C 1.021 177.169 176.117 0.052 0.000 1.018 998 I CA -1.836 59.489 61.300 0.042 0.000 1.260 998 I CB 0.659 38.666 38.000 0.011 0.000 1.390 998 I HN -0.169 nan 8.210 nan 0.000 0.475 999 I N 6.584 127.200 120.570 0.077 0.000 2.741 999 I HA -0.078 4.093 4.170 0.001 0.000 0.288 999 I C 0.659 176.827 176.117 0.084 0.000 1.192 999 I CA 0.624 61.966 61.300 0.069 0.000 1.426 999 I CB -0.018 38.019 38.000 0.062 0.000 1.367 999 I HN 0.596 nan 8.210 nan 0.000 0.563 1000 D N 2.870 123.301 120.400 0.053 0.000 3.012 1000 D HA -0.229 4.412 4.640 0.001 0.000 0.222 1000 D C 1.104 177.425 176.300 0.034 0.000 1.167 1000 D CA 0.969 54.996 54.000 0.045 0.000 0.854 1000 D CB -1.337 39.496 40.800 0.055 0.000 1.107 1000 D HN 0.823 nan 8.370 nan 0.000 0.421 1001 C N 0.076 119.389 119.300 0.022 0.000 2.466 1001 C HA 0.096 4.557 4.460 0.001 0.000 0.278 1001 C C 1.220 176.215 174.990 0.008 0.000 1.288 1001 C CA 0.190 59.207 59.018 -0.001 0.000 1.722 1001 C CB -0.419 27.316 27.740 -0.008 0.000 2.017 1001 C HN 0.342 nan 8.230 nan 0.000 0.488 1002 I N 1.329 121.908 120.570 0.015 0.000 2.412 1002 I HA 0.461 4.631 4.170 0.001 0.000 0.296 1002 I C -0.112 176.012 176.117 0.013 0.000 0.987 1002 I CA -0.192 61.118 61.300 0.016 0.000 1.180 1002 I CB 1.065 39.076 38.000 0.019 0.000 1.340 1002 I HN 0.234 nan 8.210 nan 0.000 0.455 1003 R N 5.403 125.909 120.500 0.010 0.000 2.725 1003 R HA 0.608 4.949 4.340 0.001 0.000 0.277 1003 R C -1.245 175.054 176.300 -0.001 0.000 0.987 1003 R CA -1.069 55.033 56.100 0.005 0.000 0.901 1003 R CB 2.266 32.568 30.300 0.005 0.000 1.207 1003 R HN 0.392 nan 8.270 nan 0.000 0.463 1004 M N 2.851 122.446 119.600 -0.008 0.000 2.157 1004 M HA 0.314 4.795 4.480 0.001 0.000 0.354 1004 M C -0.202 176.086 176.300 -0.021 0.000 1.170 1004 M CA -0.746 54.544 55.300 -0.017 0.000 1.060 1004 M CB 1.016 33.601 32.600 -0.025 0.000 1.615 1004 M HN 0.485 nan 8.290 nan 0.000 0.460 1005 V N 0.193 120.094 119.914 -0.022 0.000 3.001 1005 V HA 0.684 4.805 4.120 0.001 0.000 0.314 1005 V C 0.198 176.273 176.094 -0.032 0.000 1.099 1005 V CA -0.947 61.340 62.300 -0.023 0.000 0.989 1005 V CB 1.713 33.529 31.823 -0.013 0.000 1.040 1005 V HN 0.787 nan 8.190 nan 0.000 0.434 1006 S N 2.250 117.931 115.700 -0.032 0.000 2.563 1006 S HA 0.162 4.633 4.470 0.001 0.000 0.294 1006 S C 0.347 174.927 174.600 -0.033 0.000 1.279 1006 S CA -0.018 58.158 58.200 -0.039 0.000 1.069 1006 S CB -0.156 63.024 63.200 -0.032 0.000 0.828 1006 S HN 0.844 nan 8.310 nan 0.000 0.497 1007 R N 1.255 121.728 120.500 -0.045 0.000 2.543 1007 R HA 0.124 4.465 4.340 0.001 0.000 0.277 1007 R C 1.429 177.724 176.300 -0.008 0.000 1.074 1007 R CA 0.491 56.575 56.100 -0.026 0.000 1.076 1007 R CB 0.423 30.699 30.300 -0.041 0.000 0.993 1007 R HN 0.897 nan 8.270 nan 0.000 0.459 1008 T N -1.186 113.372 114.554 0.006 0.000 3.111 1008 T HA -0.002 4.348 4.350 0.001 0.000 0.236 1008 T C 0.906 175.618 174.700 0.021 0.000 0.984 1008 T CA 0.473 62.579 62.100 0.010 0.000 1.195 1008 T CB -0.358 68.515 68.868 0.008 0.000 0.929 1008 T HN 0.679 nan 8.240 nan 0.000 0.431 1009 T N 1.938 116.509 114.554 0.029 0.000 2.900 1009 T HA 0.428 4.779 4.350 0.001 0.000 0.307 1009 T C -2.642 172.091 174.700 0.055 0.000 1.065 1009 T CA -1.301 60.820 62.100 0.035 0.000 1.105 1009 T CB -0.125 68.763 68.868 0.033 0.000 0.979 1009 T HN 0.089 nan 8.240 nan 0.000 0.544 1010 P HA 0.068 nan 4.420 nan 0.000 0.266 1010 P C -1.395 175.966 177.300 0.101 0.000 1.186 1010 P CA 0.080 63.215 63.100 0.059 0.000 0.767 1010 P CB 0.052 31.767 31.700 0.025 0.000 0.820 1011 Y N 1.821 122.112 120.300 -0.015 0.000 2.326 1011 Y HA 0.386 4.937 4.550 0.001 0.000 0.331 1011 Y C -0.419 175.472 175.900 -0.016 0.000 0.962 1011 Y CA -0.520 57.568 58.100 -0.021 0.000 1.167 1011 Y CB 1.402 39.845 38.460 -0.028 0.000 1.148 1011 Y HN 0.323 nan 8.280 nan 0.000 0.463 1012 E N 7.545 127.351 120.200 -0.656 0.000 2.241 1012 E HA 0.342 4.693 4.350 0.001 0.000 0.263 1012 E C -2.591 173.623 176.600 -0.642 0.000 0.882 1012 E CA -2.284 53.826 56.400 -0.482 0.000 0.769 1012 E CB 1.634 31.200 29.700 -0.224 0.000 1.185 1012 E HN 0.509 nan 8.360 nan 0.000 0.415 1013 P HA -0.013 nan 4.420 nan 0.000 0.266 1013 P C -1.015 176.191 177.300 -0.157 0.000 1.195 1013 P CA 0.014 62.947 63.100 -0.277 0.000 0.768 1013 P CB 0.461 32.122 31.700 -0.066 0.000 0.838 1014 K N 3.384 123.733 120.400 -0.084 0.000 2.310 1014 K HA 0.150 4.470 4.320 0.001 0.000 0.290 1014 K C 1.083 177.689 176.600 0.011 0.000 1.077 1014 K CA -0.339 55.937 56.287 -0.018 0.000 0.922 1014 K CB 0.675 33.208 32.500 0.056 0.000 1.057 1014 K HN 0.211 nan 8.250 nan 0.000 0.479 1015 R N 1.502 121.999 120.500 -0.004 0.000 2.300 1015 R HA 0.048 4.389 4.340 0.001 0.000 0.199 1015 R C 1.303 177.608 176.300 0.008 0.000 0.920 1015 R CA 0.624 56.726 56.100 0.004 0.000 1.046 1015 R CB 0.034 30.331 30.300 -0.004 0.000 0.984 1015 R HN 1.062 nan 8.270 nan 0.000 0.493 1016 G N 0.609 109.414 108.800 0.009 0.000 2.328 1016 G HA2 -0.307 3.654 3.960 0.001 0.000 0.256 1016 G HA3 -0.307 3.654 3.960 0.001 0.000 0.256 1016 G C 0.370 175.272 174.900 0.002 0.000 1.014 1016 G CA 0.791 45.895 45.100 0.007 0.000 0.620 1016 G HN 0.333 nan 8.290 nan 0.000 0.530 1017 L N -2.041 119.182 121.223 -0.000 0.000 2.599 1017 L HA 0.453 4.794 4.340 0.001 0.000 0.292 1017 L C -2.565 174.304 176.870 -0.003 0.000 0.753 1017 L CA -1.010 53.830 54.840 -0.002 0.000 1.134 1017 L CB 0.417 42.475 42.059 -0.001 0.000 1.670 1017 L HN 0.065 nan 8.230 nan 0.000 0.337 1018 P HA 0.612 nan 4.420 nan 0.000 0.294 1018 P C -1.369 175.930 177.300 -0.001 0.000 1.323 1018 P CA -0.630 62.469 63.100 -0.003 0.000 1.015 1018 P CB 1.554 33.252 31.700 -0.003 0.000 1.392 1019 L N 0.000 121.222 121.223 -0.001 0.000 2.949 1019 L HA 0.000 4.341 4.340 0.001 0.000 0.249 1019 L CA 0.000 54.840 54.840 0.000 0.000 0.813 1019 L CB 0.000 42.060 42.059 0.002 0.000 0.961 1019 L HN 0.000 nan 8.230 nan 0.000 0.502