REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1gth_1_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 EPKRGLPLA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.585 177.584 0.001 0.000 1.274 2 A CA 0.000 52.038 52.037 0.001 0.000 0.836 2 A CB 0.000 19.000 19.000 0.000 0.000 0.831 3 P HA 0.287 nan 4.420 nan 0.000 0.270 3 P C -0.125 177.176 177.300 0.002 0.000 1.216 3 P CA -0.402 62.700 63.100 0.003 0.000 0.788 3 P CB 0.390 32.092 31.700 0.004 0.000 0.883 4 V N 2.753 122.668 119.914 0.002 0.000 2.381 4 V HA -0.019 4.101 4.120 -0.000 0.000 0.257 4 V C 1.709 177.804 176.094 0.000 0.000 1.057 4 V CA 0.256 62.557 62.300 0.001 0.000 1.013 4 V CB -0.447 31.377 31.823 0.001 0.000 1.069 4 V HN 0.514 nan 8.190 nan 0.000 0.484 5 L N 3.722 124.945 121.223 -0.001 0.000 2.083 5 L HA -0.108 4.232 4.340 -0.000 0.000 0.209 5 L C 2.299 179.167 176.870 -0.004 0.000 1.083 5 L CA 1.632 56.471 54.840 -0.001 0.000 0.752 5 L CB -0.371 41.687 42.059 -0.001 0.000 0.899 5 L HN 0.830 nan 8.230 nan 0.000 0.433 6 S N -1.469 114.228 115.700 -0.006 0.000 2.786 6 S HA 0.089 4.559 4.470 -0.000 0.000 0.223 6 S C 0.448 175.042 174.600 -0.009 0.000 0.956 6 S CA -0.069 58.125 58.200 -0.010 0.000 0.961 6 S CB -0.264 62.929 63.200 -0.011 0.000 0.784 6 S HN 0.261 nan 8.310 nan 0.000 0.519 7 K N 1.052 121.449 120.400 -0.005 0.000 2.375 7 K HA 0.350 4.670 4.320 -0.000 0.000 0.249 7 K C -1.368 175.232 176.600 -0.000 0.000 0.942 7 K CA -0.758 55.527 56.287 -0.003 0.000 0.806 7 K CB 1.206 33.706 32.500 0.000 0.000 1.227 7 K HN 0.136 nan 8.250 nan 0.000 0.430 8 D N 2.342 122.743 120.400 0.001 0.000 2.304 8 D HA 0.080 4.720 4.640 -0.000 0.000 0.250 8 D C 0.312 176.619 176.300 0.012 0.000 1.107 8 D CA -0.168 53.836 54.000 0.007 0.000 0.885 8 D CB 1.386 42.190 40.800 0.007 0.000 1.192 8 D HN 0.265 nan 8.370 nan 0.000 0.436 9 V N -0.093 119.830 119.914 0.016 0.000 3.319 9 V HA 0.310 4.430 4.120 -0.000 0.000 0.303 9 V C 1.593 177.701 176.094 0.023 0.000 1.094 9 V CA -0.121 62.190 62.300 0.018 0.000 1.106 9 V CB 0.636 32.471 31.823 0.019 0.000 1.099 9 V HN 0.631 nan 8.190 nan 0.000 0.476 10 A N 0.269 123.102 122.820 0.023 0.000 1.927 10 A HA -0.250 4.070 4.320 -0.000 0.000 0.220 10 A C 1.793 179.397 177.584 0.034 0.000 1.185 10 A CA 2.429 54.482 52.037 0.027 0.000 0.639 10 A CB -1.082 17.932 19.000 0.024 0.000 0.820 10 A HN 1.066 nan 8.150 nan 0.000 0.451 11 D N -0.339 120.081 120.400 0.034 0.000 2.104 11 D HA -0.141 4.499 4.640 -0.000 0.000 0.194 11 D C 1.859 178.190 176.300 0.052 0.000 0.994 11 D CA 1.290 55.315 54.000 0.042 0.000 0.830 11 D CB -0.166 40.657 40.800 0.039 0.000 0.959 11 D HN 0.350 nan 8.370 nan 0.000 0.452 12 I N 0.748 121.346 120.570 0.046 0.000 2.286 12 I HA -0.126 4.044 4.170 -0.000 0.000 0.245 12 I C 2.322 178.470 176.117 0.052 0.000 1.104 12 I CA 0.774 62.104 61.300 0.050 0.000 1.397 12 I CB -1.073 36.948 38.000 0.035 0.000 1.072 12 I HN 0.147 nan 8.210 nan 0.000 0.417 13 E N 0.553 120.779 120.200 0.042 0.000 2.118 13 E HA -0.246 4.104 4.350 -0.000 0.000 0.195 13 E C 2.384 179.022 176.600 0.063 0.000 0.992 13 E CA 1.680 58.106 56.400 0.043 0.000 0.804 13 E CB 0.125 29.846 29.700 0.034 0.000 0.741 13 E HN 0.322 nan 8.360 nan 0.000 0.458 14 S N 0.110 115.850 115.700 0.066 0.000 2.368 14 S HA -0.095 4.375 4.470 -0.000 0.000 0.224 14 S C 1.999 176.666 174.600 0.111 0.000 1.029 14 S CA 0.736 58.982 58.200 0.078 0.000 0.988 14 S CB -0.192 63.047 63.200 0.064 0.000 0.838 14 S HN 0.355 nan 8.310 nan 0.000 0.462 15 I N 0.930 121.572 120.570 0.120 0.000 2.454 15 I HA -0.060 4.110 4.170 -0.000 0.000 0.254 15 I C 1.234 177.511 176.117 0.266 0.000 1.156 15 I CA 0.990 62.398 61.300 0.180 0.000 1.433 15 I CB 0.018 38.113 38.000 0.158 0.000 1.082 15 I HN 0.337 nan 8.210 nan 0.000 0.432 16 L N -0.046 121.280 121.223 0.171 0.000 2.612 16 L HA 0.113 4.453 4.340 -0.000 0.000 0.230 16 L C 2.453 179.433 176.870 0.182 0.000 1.140 16 L CA 0.101 55.026 54.840 0.142 0.000 0.896 16 L CB -0.449 41.630 42.059 0.034 0.000 1.065 16 L HN 0.158 nan 8.230 nan 0.000 0.447 17 A N 0.486 123.423 122.820 0.194 0.000 1.927 17 A HA -0.207 4.113 4.320 -0.000 0.000 0.220 17 A C 1.885 179.584 177.584 0.192 0.000 1.185 17 A CA 1.756 53.889 52.037 0.160 0.000 0.639 17 A CB -0.331 18.749 19.000 0.134 0.000 0.820 17 A HN 0.356 nan 8.150 nan 0.000 0.451 18 L N -0.315 121.088 121.223 0.299 0.000 2.628 18 L HA 0.218 4.558 4.340 -0.000 0.000 0.229 18 L C 0.544 177.642 176.870 0.380 0.000 1.137 18 L CA -0.086 54.942 54.840 0.313 0.000 0.909 18 L CB -0.884 41.361 42.059 0.310 0.000 1.137 18 L HN 0.334 nan 8.230 nan 0.000 0.470 19 N N 1.505 120.382 118.700 0.294 0.000 2.492 19 N HA 0.081 4.821 4.740 -0.000 0.000 0.262 19 N C -2.303 173.229 175.510 0.037 0.000 1.202 19 N CA -1.264 51.818 53.050 0.054 0.000 0.926 19 N CB 0.577 38.988 38.487 -0.126 0.000 1.078 19 N HN -0.041 nan 8.380 nan 0.000 0.454 20 P HA 0.091 nan 4.420 nan 0.000 0.265 20 P C -1.055 176.236 177.300 -0.015 0.000 1.193 20 P CA 0.405 63.502 63.100 -0.006 0.000 0.765 20 P CB 0.569 32.251 31.700 -0.030 0.000 0.823 21 R N 1.142 121.641 120.500 -0.001 0.000 2.548 21 R HA 0.330 4.670 4.340 -0.000 0.000 0.280 21 R C -0.396 175.905 176.300 0.001 0.000 1.061 21 R CA -0.636 55.462 56.100 -0.003 0.000 0.915 21 R CB 1.748 32.052 30.300 0.008 0.000 1.210 21 R HN 0.339 nan 8.270 nan 0.000 0.442 22 T N 3.602 118.152 114.554 -0.007 0.000 2.888 22 T HA 0.036 4.386 4.350 -0.000 0.000 0.301 22 T C 0.267 174.967 174.700 0.001 0.000 1.001 22 T CA -0.087 62.008 62.100 -0.007 0.000 1.147 22 T CB 0.591 69.448 68.868 -0.017 0.000 0.931 22 T HN 0.241 nan 8.240 nan 0.000 0.541 23 Q N 1.701 121.505 119.800 0.007 0.000 2.373 23 Q HA 0.158 4.498 4.340 -0.000 0.000 0.255 23 Q C 1.129 177.124 176.000 -0.009 0.000 0.980 23 Q CA -0.162 55.654 55.803 0.021 0.000 0.882 23 Q CB 0.941 29.700 28.738 0.036 0.000 1.249 23 Q HN 0.871 nan 8.270 nan 0.000 0.438 24 S N 0.592 116.290 115.700 -0.003 0.000 2.517 24 S HA 0.082 4.552 4.470 -0.000 0.000 0.214 24 S C 0.024 174.387 174.600 -0.395 0.000 0.991 24 S CA 0.050 58.162 58.200 -0.147 0.000 0.906 24 S CB 0.185 63.326 63.200 -0.099 0.000 0.789 24 S HN 0.636 nan 8.310 nan 0.000 0.513 25 H N 0.178 119.245 119.070 -0.004 0.000 2.977 25 H HA 0.743 5.299 4.556 -0.000 0.000 0.350 25 H C -0.215 175.110 175.328 -0.006 0.000 1.238 25 H CA -0.411 55.633 56.048 -0.007 0.000 1.124 25 H CB 1.267 31.022 29.762 -0.012 0.000 1.866 25 H HN 0.286 nan 8.280 nan 0.000 0.550 26 A N 0.944 123.841 122.820 0.127 0.000 2.425 26 A HA 0.573 4.893 4.320 -0.000 0.000 0.242 26 A C 0.400 178.016 177.584 0.053 0.000 1.077 26 A CA 0.194 52.271 52.037 0.066 0.000 0.781 26 A CB -0.258 18.770 19.000 0.047 0.000 1.020 26 A HN 0.791 nan 8.150 nan 0.000 0.494 27 A N 0.268 123.113 122.820 0.041 0.000 2.313 27 A HA 0.584 4.904 4.320 -0.000 0.000 0.261 27 A C -0.433 177.106 177.584 -0.075 0.000 1.090 27 A CA -0.197 51.843 52.037 0.005 0.000 0.807 27 A CB 0.311 19.383 19.000 0.118 0.000 1.055 27 A HN 1.530 nan 8.150 nan 0.000 0.492 28 L N 1.695 122.746 121.223 -0.286 0.000 2.457 28 L HA 0.499 4.839 4.340 -0.000 0.000 0.266 28 L C -1.429 175.109 176.870 -0.554 0.000 0.979 28 L CA 0.133 54.806 54.840 -0.279 0.000 0.857 28 L CB 1.074 43.016 42.059 -0.195 0.000 1.213 28 L HN 0.752 nan 8.230 nan 0.000 0.418 29 H N 2.472 121.550 119.070 0.014 0.000 3.096 29 H HA 0.364 4.920 4.556 -0.000 0.000 0.335 29 H C -0.401 174.937 175.328 0.016 0.000 0.990 29 H CA -0.522 55.536 56.048 0.017 0.000 1.393 29 H CB 1.956 31.731 29.762 0.021 0.000 1.742 29 H HN 0.633 nan 8.280 nan 0.000 0.501 30 S N 1.776 117.541 115.700 0.109 0.000 2.569 30 S HA -0.025 4.445 4.470 -0.000 0.000 0.274 30 S C 1.182 175.827 174.600 0.074 0.000 1.353 30 S CA 0.120 58.361 58.200 0.069 0.000 1.023 30 S CB 0.952 64.181 63.200 0.048 0.000 0.876 30 S HN 0.583 nan 8.310 nan 0.000 0.540 31 T N 1.658 116.243 114.554 0.052 0.000 2.833 31 T HA -0.086 4.264 4.350 -0.000 0.000 0.269 31 T C 1.572 176.297 174.700 0.042 0.000 1.054 31 T CA 1.319 63.446 62.100 0.045 0.000 1.135 31 T CB -0.490 68.398 68.868 0.033 0.000 0.869 31 T HN 0.550 nan 8.240 nan 0.000 0.466 32 L N 1.462 122.709 121.223 0.039 0.000 2.027 32 L HA 0.178 4.518 4.340 -0.000 0.000 0.206 32 L C 2.610 179.504 176.870 0.040 0.000 1.074 32 L CA 1.832 56.692 54.840 0.034 0.000 0.745 32 L CB -1.087 40.989 42.059 0.028 0.000 0.898 32 L HN 0.188 nan 8.230 nan 0.000 0.433 33 A N -0.527 122.324 122.820 0.052 0.000 1.908 33 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 33 A C 2.290 179.906 177.584 0.053 0.000 1.181 33 A CA 1.799 53.871 52.037 0.059 0.000 0.627 33 A CB -0.549 18.507 19.000 0.094 0.000 0.818 33 A HN 0.401 nan 8.150 nan 0.000 0.445 34 K N 0.070 120.503 120.400 0.055 0.000 2.057 34 K HA -0.106 4.214 4.320 -0.000 0.000 0.207 34 K C 1.946 178.574 176.600 0.048 0.000 1.049 34 K CA 1.587 57.901 56.287 0.044 0.000 0.931 34 K CB -0.366 32.160 32.500 0.042 0.000 0.714 34 K HN 0.547 nan 8.250 nan 0.000 0.440 35 K N 0.693 121.118 120.400 0.041 0.000 2.063 35 K HA -0.067 4.253 4.320 -0.000 0.000 0.208 35 K C 2.201 178.822 176.600 0.035 0.000 1.048 35 K CA 1.032 57.341 56.287 0.036 0.000 0.928 35 K CB -0.146 32.372 32.500 0.029 0.000 0.713 35 K HN 0.081 nan 8.250 nan 0.000 0.442 36 L N 0.273 121.515 121.223 0.032 0.000 2.217 36 L HA -0.137 4.203 4.340 -0.000 0.000 0.211 36 L C 1.920 178.806 176.870 0.026 0.000 1.107 36 L CA 0.889 55.742 54.840 0.021 0.000 0.783 36 L CB -0.237 41.831 42.059 0.015 0.000 0.919 36 L HN 0.163 nan 8.230 nan 0.000 0.442 37 D N 0.042 120.475 120.400 0.056 0.000 2.271 37 D HA -0.133 4.507 4.640 -0.000 0.000 0.206 37 D C 2.153 178.558 176.300 0.175 0.000 0.967 37 D CA 0.557 54.618 54.000 0.103 0.000 0.867 37 D CB 0.279 41.161 40.800 0.136 0.000 0.960 37 D HN -0.001 nan 8.370 nan 0.000 0.509 38 K N 0.610 121.097 120.400 0.146 0.000 2.044 38 K HA -0.205 4.115 4.320 -0.000 0.000 0.210 38 K C 1.755 178.438 176.600 0.138 0.000 1.049 38 K CA 1.365 57.754 56.287 0.170 0.000 0.927 38 K CB 0.081 32.638 32.500 0.095 0.000 0.713 38 K HN 0.040 nan 8.250 nan 0.000 0.443 39 K N -0.878 119.554 120.400 0.055 0.000 2.280 39 K HA -0.203 4.117 4.320 -0.000 0.000 0.202 39 K C 1.983 178.542 176.600 -0.068 0.000 1.047 39 K CA 1.433 57.720 56.287 0.001 0.000 0.942 39 K CB -0.244 32.242 32.500 -0.023 0.000 0.739 39 K HN 0.348 nan 8.250 nan 0.000 0.457 40 H N -0.721 118.196 119.070 -0.256 0.000 2.423 40 H HA -0.128 4.428 4.556 -0.000 0.000 0.297 40 H C 0.796 175.820 175.328 -0.506 0.000 1.075 40 H CA 1.629 57.356 56.048 -0.534 0.000 1.342 40 H CB 0.126 29.357 29.762 -0.886 0.000 1.395 40 H HN 0.262 nan 8.280 nan 0.000 0.530 41 W N 0.290 121.628 121.300 0.063 0.000 3.220 41 W HA 0.242 4.902 4.660 -0.000 0.000 0.328 41 W C 0.379 176.878 176.519 -0.034 0.000 1.205 41 W CA -0.768 56.529 57.345 -0.081 0.000 1.773 41 W CB 0.241 29.605 29.460 -0.161 0.000 1.086 41 W HN -0.159 nan 8.180 nan 0.000 0.622 42 K N 2.073 122.570 120.400 0.160 0.000 2.473 42 K HA -0.059 4.261 4.320 -0.000 0.000 0.277 42 K C 1.198 177.882 176.600 0.140 0.000 1.052 42 K CA 0.693 57.049 56.287 0.115 0.000 1.114 42 K CB 0.464 32.998 32.500 0.057 0.000 0.869 42 K HN -0.049 nan 8.250 nan 0.000 0.481 43 R N 1.983 122.548 120.500 0.108 0.000 2.140 43 R HA 0.058 4.398 4.340 -0.000 0.000 0.200 43 R C 0.450 176.787 176.300 0.061 0.000 1.069 43 R CA 0.401 56.567 56.100 0.110 0.000 1.088 43 R CB -0.462 29.889 30.300 0.085 0.000 1.012 43 R HN 0.818 nan 8.270 nan 0.000 0.500 44 N N 1.957 120.679 118.700 0.036 0.000 2.448 44 N HA 0.220 4.960 4.740 -0.000 0.000 0.274 44 N C -2.660 172.854 175.510 0.007 0.000 1.239 44 N CA -1.708 51.349 53.050 0.012 0.000 0.982 44 N CB -0.787 37.700 38.487 -0.001 0.000 1.199 44 N HN -0.241 nan 8.380 nan 0.000 0.576 45 P HA 0.069 nan 4.420 nan 0.000 0.268 45 P C -0.705 176.582 177.300 -0.022 0.000 1.205 45 P CA 0.142 63.236 63.100 -0.010 0.000 0.771 45 P CB 0.289 31.983 31.700 -0.011 0.000 0.858 46 D N 2.461 122.842 120.400 -0.031 0.000 2.325 46 D HA 0.002 4.642 4.640 -0.000 0.000 0.251 46 D C 1.116 177.362 176.300 -0.091 0.000 1.196 46 D CA -0.245 53.727 54.000 -0.047 0.000 0.866 46 D CB 0.882 41.658 40.800 -0.039 0.000 1.101 46 D HN 0.367 nan 8.370 nan 0.000 0.476 47 K N 3.017 123.361 120.400 -0.093 0.000 2.360 47 K HA -0.100 4.220 4.320 -0.000 0.000 0.201 47 K C 0.561 177.018 176.600 -0.238 0.000 1.046 47 K CA 0.918 57.124 56.287 -0.136 0.000 0.945 47 K CB 0.184 32.628 32.500 -0.093 0.000 0.750 47 K HN 0.179 nan 8.250 nan 0.000 0.464 48 N N 0.312 118.883 118.700 -0.214 0.000 2.373 48 N HA -0.016 4.724 4.740 -0.000 0.000 0.181 48 N C -0.115 175.145 175.510 -0.415 0.000 1.082 48 N CA 0.118 52.997 53.050 -0.286 0.000 0.885 48 N CB 0.152 38.583 38.487 -0.092 0.000 0.977 48 N HN 0.183 nan 8.380 nan 0.000 0.462 49 C N 1.150 120.285 119.300 -0.275 0.000 2.499 49 C HA 0.290 4.750 4.460 -0.000 0.000 0.386 49 C C 1.132 175.980 174.990 -0.238 0.000 1.293 49 C CA -0.479 58.469 59.018 -0.116 0.000 1.884 49 C CB -1.512 26.224 27.740 -0.006 0.000 2.509 49 C HN 0.266 nan 8.230 nan 0.000 0.566 50 F N 2.711 122.712 119.950 0.084 0.000 2.727 50 F HA 0.241 4.768 4.527 -0.000 0.000 0.302 50 F C 0.917 176.550 175.800 -0.278 0.000 1.097 50 F CA -0.008 57.930 58.000 -0.103 0.000 1.330 50 F CB -0.341 38.546 39.000 -0.189 0.000 1.084 50 F HN 0.619 nan 8.300 nan 0.000 0.578 51 H N -1.264 117.881 119.070 0.125 0.000 2.524 51 H HA 0.516 5.072 4.556 -0.000 0.000 0.353 51 H C -0.374 174.969 175.328 0.025 0.000 1.136 51 H CA -1.900 54.190 56.048 0.070 0.000 1.193 51 H CB 1.204 31.003 29.762 0.062 0.000 1.558 51 H HN 0.074 nan 8.280 nan 0.000 0.515 52 C N 1.346 120.718 119.300 0.121 0.000 2.411 52 C HA 0.591 5.051 4.460 -0.000 0.000 0.330 52 C C 0.436 175.454 174.990 0.046 0.000 1.224 52 C CA -1.112 57.940 59.018 0.057 0.000 1.770 52 C CB 0.426 28.178 27.740 0.021 0.000 2.297 52 C HN 1.027 nan 8.230 nan 0.000 0.507 53 E N 2.114 122.326 120.200 0.020 0.000 2.537 53 E HA 0.025 4.375 4.350 -0.000 0.000 0.269 53 E C -0.511 176.083 176.600 -0.009 0.000 1.038 53 E CA 0.223 56.625 56.400 0.003 0.000 0.977 53 E CB 0.401 30.095 29.700 -0.011 0.000 0.973 53 E HN 0.683 nan 8.360 nan 0.000 0.456 54 K N 1.615 122.008 120.400 -0.012 0.000 2.382 54 K HA 0.065 4.385 4.320 -0.000 0.000 0.275 54 K C 0.275 176.844 176.600 -0.051 0.000 1.009 54 K CA 0.093 56.367 56.287 -0.022 0.000 0.970 54 K CB 0.452 32.944 32.500 -0.013 0.000 0.934 54 K HN 0.505 nan 8.250 nan 0.000 0.479 55 L N 1.699 122.876 121.223 -0.077 0.000 3.016 55 L HA 0.140 4.480 4.340 -0.000 0.000 0.267 55 L C 0.400 177.173 176.870 -0.160 0.000 1.182 55 L CA -0.148 54.609 54.840 -0.137 0.000 0.997 55 L CB 0.434 42.379 42.059 -0.190 0.000 1.354 55 L HN 0.670 nan 8.230 nan 0.000 0.569 56 E N 1.612 121.757 120.200 -0.092 0.000 2.480 56 E HA -0.167 4.183 4.350 -0.000 0.000 0.258 56 E C 0.561 177.117 176.600 -0.073 0.000 0.984 56 E CA 0.216 56.574 56.400 -0.069 0.000 0.930 56 E CB 0.200 29.893 29.700 -0.012 0.000 0.936 56 E HN 0.241 nan 8.360 nan 0.000 0.466 57 N N 3.029 121.671 118.700 -0.096 0.000 2.708 57 N HA -0.257 4.483 4.740 -0.000 0.000 0.251 57 N C -1.338 174.124 175.510 -0.080 0.000 1.123 57 N CA 0.940 53.999 53.050 0.015 0.000 0.739 57 N CB -1.047 37.535 38.487 0.159 0.000 1.113 57 N HN 0.477 nan 8.380 nan 0.000 0.561 58 N N 0.545 119.043 118.700 -0.337 0.000 2.527 58 N HA 0.213 4.953 4.740 -0.000 0.000 0.236 58 N C -0.625 174.643 175.510 -0.403 0.000 0.999 58 N CA -0.194 52.719 53.050 -0.229 0.000 0.935 58 N CB -0.274 38.102 38.487 -0.184 0.000 1.132 58 N HN 0.203 nan 8.380 nan 0.000 0.511 59 F N 0.663 120.674 119.950 0.101 0.000 2.772 59 F HA 0.285 4.812 4.527 -0.000 0.000 0.302 59 F C 0.412 176.308 175.800 0.160 0.000 1.136 59 F CA -0.727 57.386 58.000 0.188 0.000 1.322 59 F CB 0.279 39.367 39.000 0.146 0.000 0.967 59 F HN 0.169 nan 8.300 nan 0.000 0.513 60 D N 0.814 121.324 120.400 0.184 0.000 2.399 60 D HA -0.053 4.587 4.640 -0.000 0.000 0.241 60 D C -0.004 176.394 176.300 0.163 0.000 1.133 60 D CA 0.091 54.179 54.000 0.147 0.000 0.890 60 D CB 0.654 41.504 40.800 0.083 0.000 1.201 60 D HN 0.070 nan 8.370 nan 0.000 0.432 61 D N 0.934 121.424 120.400 0.149 0.000 2.520 61 D HA -0.062 4.578 4.640 -0.000 0.000 0.243 61 D C 0.966 177.342 176.300 0.128 0.000 1.160 61 D CA 0.148 54.238 54.000 0.149 0.000 0.877 61 D CB 0.150 41.015 40.800 0.110 0.000 1.150 61 D HN 0.414 nan 8.370 nan 0.000 0.494 62 I N -0.046 120.611 120.570 0.145 0.000 3.976 62 I HA 0.234 4.404 4.170 -0.000 0.000 0.337 62 I C 0.289 176.466 176.117 0.101 0.000 1.359 62 I CA -0.718 60.641 61.300 0.098 0.000 1.098 62 I CB 0.008 38.018 38.000 0.018 0.000 1.027 62 I HN -0.027 nan 8.210 nan 0.000 0.394 63 K N 1.656 122.120 120.400 0.108 0.000 2.412 63 K HA 0.128 4.448 4.320 -0.000 0.000 0.281 63 K C 0.174 176.875 176.600 0.169 0.000 1.027 63 K CA 0.057 56.392 56.287 0.079 0.000 0.989 63 K CB 0.551 33.096 32.500 0.075 0.000 0.935 63 K HN 0.386 nan 8.250 nan 0.000 0.475 64 H N 0.263 119.357 119.070 0.038 0.000 2.547 64 H HA -0.062 4.494 4.556 -0.000 0.000 0.272 64 H C 1.473 176.818 175.328 0.028 0.000 0.989 64 H CA 1.023 57.088 56.048 0.030 0.000 1.214 64 H CB 0.468 30.244 29.762 0.023 0.000 1.389 64 H HN 0.668 nan 8.280 nan 0.000 0.577 65 T N -1.864 112.778 114.554 0.147 0.000 3.107 65 T HA 0.013 4.363 4.350 -0.000 0.000 0.249 65 T C 0.956 175.700 174.700 0.073 0.000 1.096 65 T CA -0.174 61.982 62.100 0.093 0.000 1.012 65 T CB -0.098 68.814 68.868 0.072 0.000 0.977 65 T HN -0.033 nan 8.240 nan 0.000 0.527 66 T N 3.154 117.755 114.554 0.078 0.000 2.928 66 T HA 0.431 4.781 4.350 -0.000 0.000 0.305 66 T C -0.205 174.518 174.700 0.039 0.000 1.035 66 T CA 0.064 62.203 62.100 0.065 0.000 1.145 66 T CB 0.231 69.141 68.868 0.069 0.000 0.963 66 T HN 0.289 nan 8.240 nan 0.000 0.545 67 L N 1.956 123.197 121.223 0.030 0.000 2.354 67 L HA 0.726 5.066 4.340 -0.000 0.000 0.269 67 L C 0.873 177.688 176.870 -0.092 0.000 1.005 67 L CA -1.065 53.743 54.840 -0.053 0.000 0.819 67 L CB 2.042 44.038 42.059 -0.105 0.000 1.311 67 L HN 0.739 nan 8.230 nan 0.000 0.423 68 G N -0.402 108.260 108.800 -0.231 0.000 2.552 68 G HA2 0.245 4.205 3.960 -0.000 0.000 0.318 68 G HA3 0.245 4.205 3.960 -0.000 0.000 0.318 68 G C 0.360 174.902 174.900 -0.597 0.000 1.240 68 G CA -0.251 44.663 45.100 -0.311 0.000 1.002 68 G HN 0.780 nan 8.290 nan 0.000 0.493 69 E N -0.623 119.274 120.200 -0.504 0.000 2.051 69 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 69 E C 2.296 178.641 176.600 -0.426 0.000 0.991 69 E CA 1.023 57.021 56.400 -0.671 0.000 0.799 69 E CB -0.072 29.559 29.700 -0.115 0.000 0.748 69 E HN 0.500 nan 8.360 nan 0.000 0.449 70 R N -0.048 120.310 120.500 -0.236 0.000 2.094 70 R HA -0.161 4.179 4.340 -0.000 0.000 0.239 70 R C 2.361 178.570 176.300 -0.151 0.000 1.137 70 R CA 1.964 57.990 56.100 -0.124 0.000 0.943 70 R CB -0.805 29.474 30.300 -0.034 0.000 0.850 70 R HN 0.297 nan 8.270 nan 0.000 0.433 71 G N -0.356 108.332 108.800 -0.186 0.000 2.422 71 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.218 71 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.218 71 G C 1.523 176.304 174.900 -0.199 0.000 1.140 71 G CA 0.755 45.762 45.100 -0.154 0.000 0.775 71 G HN 0.524 nan 8.290 nan 0.000 0.545 72 A N 0.618 123.214 122.820 -0.374 0.000 1.898 72 A HA 0.143 4.463 4.320 -0.000 0.000 0.216 72 A C 2.411 179.878 177.584 -0.196 0.000 1.181 72 A CA 1.086 52.893 52.037 -0.384 0.000 0.620 72 A CB -0.391 18.041 19.000 -0.946 0.000 0.819 72 A HN 0.338 nan 8.150 nan 0.000 0.442 73 L N -1.001 120.115 121.223 -0.178 0.000 2.046 73 L HA -0.211 4.129 4.340 -0.000 0.000 0.208 73 L C 2.913 179.769 176.870 -0.023 0.000 1.077 73 L CA 1.492 56.312 54.840 -0.034 0.000 0.747 73 L CB -0.470 41.589 42.059 0.000 0.000 0.896 73 L HN 0.372 nan 8.230 nan 0.000 0.432 74 R N -0.234 120.238 120.500 -0.047 0.000 2.066 74 R HA -0.198 4.142 4.340 -0.000 0.000 0.232 74 R C 2.244 178.530 176.300 -0.023 0.000 1.131 74 R CA 1.508 57.591 56.100 -0.028 0.000 0.955 74 R CB -0.229 30.052 30.300 -0.031 0.000 0.851 74 R HN 0.217 nan 8.270 nan 0.000 0.432 75 E N 0.758 120.937 120.200 -0.034 0.000 2.106 75 E HA -0.106 4.244 4.350 -0.000 0.000 0.192 75 E C 1.747 178.339 176.600 -0.014 0.000 0.984 75 E CA 1.343 57.730 56.400 -0.022 0.000 0.806 75 E CB -0.033 29.652 29.700 -0.024 0.000 0.750 75 E HN 0.338 nan 8.360 nan 0.000 0.458 76 A N 0.132 122.948 122.820 -0.007 0.000 1.930 76 A HA -0.122 4.198 4.320 -0.000 0.000 0.217 76 A C 2.206 179.792 177.584 0.004 0.000 1.175 76 A CA 1.515 53.556 52.037 0.005 0.000 0.627 76 A CB -0.451 18.581 19.000 0.053 0.000 0.815 76 A HN 0.320 nan 8.150 nan 0.000 0.443 77 M N -1.455 118.151 119.600 0.010 0.000 2.229 77 M HA -0.099 4.381 4.480 -0.000 0.000 0.264 77 M C 2.324 178.626 176.300 0.004 0.000 1.063 77 M CA 1.500 56.807 55.300 0.012 0.000 1.114 77 M CB -0.206 32.402 32.600 0.013 0.000 1.387 77 M HN 0.439 nan 8.290 nan 0.000 0.420 78 R N 0.046 120.544 120.500 -0.002 0.000 2.115 78 R HA -0.058 4.282 4.340 -0.000 0.000 0.226 78 R C 0.788 177.084 176.300 -0.006 0.000 1.100 78 R CA 0.462 56.561 56.100 -0.002 0.000 0.980 78 R CB -0.117 30.181 30.300 -0.005 0.000 0.875 78 R HN 0.440 nan 8.270 nan 0.000 0.445 79 C N 1.306 120.596 119.300 -0.018 0.000 2.596 79 C HA 0.018 4.478 4.460 -0.000 0.000 0.414 79 C C 1.930 176.906 174.990 -0.023 0.000 1.396 79 C CA -0.427 58.572 59.018 -0.032 0.000 1.698 79 C CB -0.564 27.135 27.740 -0.067 0.000 2.572 79 C HN 0.567 nan 8.230 nan 0.000 0.604 80 L N 3.987 125.199 121.223 -0.019 0.000 2.376 80 L HA 0.011 4.351 4.340 -0.000 0.000 0.219 80 L C 1.622 178.481 176.870 -0.018 0.000 1.133 80 L CA 0.651 55.486 54.840 -0.008 0.000 0.816 80 L CB -0.589 41.469 42.059 -0.001 0.000 0.933 80 L HN 0.828 nan 8.230 nan 0.000 0.449 81 K N -0.235 120.140 120.400 -0.043 0.000 3.244 81 K HA -0.167 4.153 4.320 -0.000 0.000 0.270 81 K C -0.043 176.531 176.600 -0.042 0.000 1.016 81 K CA -0.049 56.204 56.287 -0.056 0.000 0.754 81 K CB -2.373 30.101 32.500 -0.043 0.000 1.326 81 K HN 0.317 nan 8.250 nan 0.000 0.465 82 C N 0.644 119.919 119.300 -0.041 0.000 2.727 82 C HA 0.351 4.811 4.460 -0.000 0.000 0.401 82 C C 1.614 176.586 174.990 -0.031 0.000 1.294 82 C CA -0.382 58.618 59.018 -0.030 0.000 2.134 82 C CB 0.014 27.739 27.740 -0.025 0.000 2.724 82 C HN 0.652 nan 8.230 nan 0.000 0.677 83 A N 1.102 123.909 122.820 -0.022 0.000 2.354 83 A HA 0.483 4.803 4.320 -0.000 0.000 0.269 83 A C 0.610 178.185 177.584 -0.015 0.000 1.109 83 A CA 0.085 52.111 52.037 -0.019 0.000 0.800 83 A CB -0.070 18.921 19.000 -0.015 0.000 1.045 83 A HN 1.105 nan 8.150 nan 0.000 0.489 84 D N 0.216 120.609 120.400 -0.012 0.000 2.701 84 D HA -0.141 4.499 4.640 -0.000 0.000 0.235 84 D C 0.488 176.779 176.300 -0.014 0.000 1.155 84 D CA 1.079 55.077 54.000 -0.004 0.000 0.649 84 D CB -1.199 39.606 40.800 0.007 0.000 1.050 84 D HN 1.178 nan 8.370 nan 0.000 0.425 85 A N 0.644 123.443 122.820 -0.035 0.000 2.591 85 A HA 0.165 4.485 4.320 -0.000 0.000 0.244 85 A C -0.469 177.092 177.584 -0.039 0.000 1.031 85 A CA 0.059 52.070 52.037 -0.043 0.000 0.767 85 A CB 0.369 19.329 19.000 -0.067 0.000 0.942 85 A HN 0.327 nan 8.150 nan 0.000 0.514 86 P HA -0.126 nan 4.420 nan 0.000 0.221 86 P C 1.594 178.881 177.300 -0.023 0.000 1.150 86 P CA 1.573 64.664 63.100 -0.015 0.000 0.800 86 P CB -0.423 31.272 31.700 -0.009 0.000 0.787 87 C N -0.455 118.826 119.300 -0.033 0.000 2.429 87 C HA -0.107 4.353 4.460 -0.000 0.000 0.277 87 C C 2.986 177.950 174.990 -0.044 0.000 1.262 87 C CA 0.955 59.954 59.018 -0.032 0.000 1.733 87 C CB -2.196 25.522 27.740 -0.037 0.000 2.010 87 C HN 0.211 nan 8.230 nan 0.000 0.483 88 Q N 1.371 121.120 119.800 -0.085 0.000 2.124 88 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 88 Q C 2.256 178.172 176.000 -0.140 0.000 0.977 88 Q CA 1.518 57.220 55.803 -0.168 0.000 0.850 88 Q CB -0.165 28.399 28.738 -0.290 0.000 0.901 88 Q HN 0.723 nan 8.270 nan 0.000 0.429 89 K N -0.239 120.132 120.400 -0.048 0.000 2.211 89 K HA -0.014 4.306 4.320 -0.000 0.000 0.203 89 K C 1.718 178.353 176.600 0.059 0.000 1.050 89 K CA 1.198 57.523 56.287 0.063 0.000 0.945 89 K CB 0.170 32.704 32.500 0.057 0.000 0.732 89 K HN 0.046 nan 8.250 nan 0.000 0.451 90 S N 0.352 116.063 115.700 0.018 0.000 2.631 90 S HA 0.005 4.475 4.470 -0.000 0.000 0.217 90 S C 0.352 174.963 174.600 0.018 0.000 0.958 90 S CA -0.240 57.968 58.200 0.014 0.000 0.920 90 S CB -0.119 63.078 63.200 -0.005 0.000 0.776 90 S HN 0.332 nan 8.310 nan 0.000 0.517 91 C N 3.188 122.504 119.300 0.026 0.000 2.273 91 C HA 0.472 4.932 4.460 -0.000 0.000 0.328 91 C C -1.610 173.414 174.990 0.056 0.000 1.275 91 C CA -2.213 56.821 59.018 0.028 0.000 1.704 91 C CB 0.551 28.298 27.740 0.012 0.000 2.326 91 C HN 0.241 nan 8.230 nan 0.000 0.517 92 P HA -0.098 nan 4.420 nan 0.000 0.218 92 P C 1.264 178.593 177.300 0.050 0.000 1.146 92 P CA 1.907 65.032 63.100 0.042 0.000 0.813 92 P CB 0.086 31.801 31.700 0.025 0.000 0.778 93 T N -6.764 107.819 114.554 0.048 0.000 3.105 93 T HA 0.153 4.503 4.350 -0.000 0.000 0.253 93 T C 0.390 175.161 174.700 0.118 0.000 1.047 93 T CA -0.253 61.878 62.100 0.052 0.000 0.944 93 T CB -0.997 67.882 68.868 0.020 0.000 1.016 93 T HN 0.069 nan 8.240 nan 0.000 0.544 94 H N 0.659 119.724 119.070 -0.009 0.000 2.770 94 H HA -0.122 4.434 4.556 -0.000 0.000 0.309 94 H C -0.406 174.928 175.328 0.010 0.000 1.206 94 H CA -0.080 55.967 56.048 -0.002 0.000 1.147 94 H CB -2.281 27.473 29.762 -0.014 0.000 1.422 94 H HN 0.531 nan 8.280 nan 0.000 0.420 95 L N 0.441 121.656 121.223 -0.013 0.000 2.485 95 L HA 0.002 4.342 4.340 -0.000 0.000 0.275 95 L C 1.158 178.012 176.870 -0.025 0.000 1.207 95 L CA 0.497 55.339 54.840 0.004 0.000 0.855 95 L CB 0.232 42.317 42.059 0.044 0.000 1.114 95 L HN 0.382 nan 8.230 nan 0.000 0.485 96 D N 3.594 124.007 120.400 0.021 0.000 2.551 96 D HA 0.100 4.740 4.640 -0.000 0.000 0.223 96 D C 1.210 177.547 176.300 0.063 0.000 1.144 96 D CA 0.056 54.052 54.000 -0.006 0.000 1.025 96 D CB 0.274 41.079 40.800 0.009 0.000 1.085 96 D HN 0.366 nan 8.370 nan 0.000 0.506 97 I N 1.860 122.430 120.570 -0.000 0.000 2.208 97 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 97 I C 2.487 178.344 176.117 -0.433 0.000 1.097 97 I CA 0.927 62.094 61.300 -0.222 0.000 1.363 97 I CB -0.161 37.743 38.000 -0.159 0.000 1.051 97 I HN 0.326 nan 8.210 nan 0.000 0.413 98 K N 1.050 121.316 120.400 -0.223 0.000 2.044 98 K HA -0.225 4.095 4.320 -0.000 0.000 0.210 98 K C 2.243 178.743 176.600 -0.167 0.000 1.049 98 K CA 2.257 58.434 56.287 -0.182 0.000 0.927 98 K CB -0.079 32.358 32.500 -0.105 0.000 0.713 98 K HN 0.187 nan 8.250 nan 0.000 0.443 99 S N 0.605 116.244 115.700 -0.101 0.000 2.355 99 S HA -0.119 4.351 4.470 -0.000 0.000 0.222 99 S C 1.650 176.253 174.600 0.005 0.000 1.031 99 S CA 1.408 59.583 58.200 -0.042 0.000 0.993 99 S CB -0.470 62.726 63.200 -0.005 0.000 0.859 99 S HN 0.560 nan 8.310 nan 0.000 0.453 100 F N 1.797 121.732 119.950 -0.026 0.000 2.234 100 F HA 0.129 4.655 4.527 -0.000 0.000 0.299 100 F C 1.710 177.531 175.800 0.034 0.000 1.087 100 F CA 0.691 58.687 58.000 -0.007 0.000 1.340 100 F CB -0.735 38.250 39.000 -0.025 0.000 1.031 100 F HN 0.100 nan 8.300 nan 0.000 0.500 101 I N 0.491 120.722 120.570 -0.565 0.000 2.353 101 I HA -0.209 3.961 4.170 -0.000 0.000 0.248 101 I C 2.261 178.333 176.117 -0.076 0.000 1.119 101 I CA 1.460 62.554 61.300 -0.344 0.000 1.417 101 I CB -0.860 36.852 38.000 -0.479 0.000 1.078 101 I HN 0.223 nan 8.210 nan 0.000 0.421 102 T N 0.185 114.693 114.554 -0.076 0.000 2.708 102 T HA -0.154 4.196 4.350 -0.000 0.000 0.266 102 T C 2.141 176.874 174.700 0.054 0.000 1.037 102 T CA 1.809 63.904 62.100 -0.008 0.000 1.146 102 T CB -0.147 68.707 68.868 -0.025 0.000 0.865 102 T HN 0.269 nan 8.240 nan 0.000 0.435 103 S N 1.012 116.758 115.700 0.076 0.000 2.370 103 S HA -0.024 4.446 4.470 -0.000 0.000 0.226 103 S C 2.026 176.733 174.600 0.177 0.000 1.033 103 S CA 0.916 59.185 58.200 0.115 0.000 1.011 103 S CB -0.428 62.848 63.200 0.126 0.000 0.852 103 S HN 0.425 nan 8.310 nan 0.000 0.457 104 I N 1.859 122.585 120.570 0.259 0.000 2.179 104 I HA -0.185 3.985 4.170 -0.000 0.000 0.242 104 I C 2.661 178.954 176.117 0.294 0.000 1.088 104 I CA 1.424 62.965 61.300 0.403 0.000 1.357 104 I CB -0.583 37.659 38.000 0.403 0.000 1.051 104 I HN 0.376 nan 8.210 nan 0.000 0.409 105 S N 0.791 116.591 115.700 0.168 0.000 2.442 105 S HA -0.127 4.343 4.470 -0.000 0.000 0.236 105 S C 1.465 176.130 174.600 0.108 0.000 1.007 105 S CA 1.133 59.404 58.200 0.119 0.000 0.965 105 S CB -0.433 62.809 63.200 0.071 0.000 0.773 105 S HN 0.411 nan 8.310 nan 0.000 0.504 106 N N 1.388 120.150 118.700 0.103 0.000 2.268 106 N HA 0.229 4.969 4.740 -0.000 0.000 0.204 106 N C -0.174 175.343 175.510 0.011 0.000 1.124 106 N CA 0.097 53.194 53.050 0.078 0.000 0.838 106 N CB -0.073 38.482 38.487 0.113 0.000 0.994 106 N HN 0.501 nan 8.380 nan 0.000 0.489 107 K N -0.518 119.863 120.400 -0.031 0.000 3.341 107 K HA -0.200 4.120 4.320 -0.000 0.000 0.305 107 K C -0.287 175.943 176.600 -0.616 0.000 1.270 107 K CA 0.436 56.503 56.287 -0.367 0.000 0.897 107 K CB -1.488 30.903 32.500 -0.182 0.000 1.264 107 K HN 0.141 nan 8.250 nan 0.000 0.468 108 N N 0.780 119.328 118.700 -0.254 0.000 3.083 108 N HA 0.152 4.892 4.740 -0.000 0.000 0.260 108 N C 0.419 175.958 175.510 0.049 0.000 1.163 108 N CA -0.264 52.731 53.050 -0.091 0.000 1.060 108 N CB -0.008 38.510 38.487 0.050 0.000 1.345 108 N HN 0.198 nan 8.380 nan 0.000 0.515 109 Y N 0.260 120.693 120.300 0.221 0.000 2.293 109 Y HA -0.216 4.334 4.550 -0.000 0.000 0.291 109 Y C 1.641 177.643 175.900 0.169 0.000 1.137 109 Y CA 0.558 58.772 58.100 0.189 0.000 1.202 109 Y CB -0.219 38.338 38.460 0.162 0.000 0.990 109 Y HN 0.467 nan 8.280 nan 0.000 0.537 110 Y N 0.994 121.435 120.300 0.237 0.000 2.114 110 Y HA -0.164 4.386 4.550 -0.000 0.000 0.284 110 Y C 2.439 178.366 175.900 0.045 0.000 1.143 110 Y CA 1.409 59.600 58.100 0.152 0.000 1.135 110 Y CB -0.903 37.644 38.460 0.144 0.000 0.980 110 Y HN 0.026 nan 8.280 nan 0.000 0.499 111 G N -0.034 108.734 108.800 -0.054 0.000 2.442 111 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.219 111 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.219 111 G C 1.810 176.631 174.900 -0.132 0.000 1.141 111 G CA 1.199 46.208 45.100 -0.151 0.000 0.763 111 G HN 0.664 nan 8.290 nan 0.000 0.554 112 A N 1.175 124.004 122.820 0.015 0.000 1.877 112 A HA 0.279 4.599 4.320 -0.000 0.000 0.216 112 A C 2.843 180.377 177.584 -0.083 0.000 1.186 112 A CA 2.313 54.411 52.037 0.102 0.000 0.620 112 A CB -0.862 18.305 19.000 0.279 0.000 0.822 112 A HN 0.806 nan 8.150 nan 0.000 0.443 113 A N -0.207 122.514 122.820 -0.164 0.000 1.902 113 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 113 A C 2.146 179.472 177.584 -0.431 0.000 1.181 113 A CA 2.032 53.905 52.037 -0.273 0.000 0.623 113 A CB -0.483 18.291 19.000 -0.377 0.000 0.818 113 A HN 0.572 nan 8.150 nan 0.000 0.443 114 K N -1.221 118.818 120.400 -0.602 0.000 2.032 114 K HA -0.210 4.110 4.320 -0.000 0.000 0.209 114 K C 2.049 178.497 176.600 -0.254 0.000 1.048 114 K CA 1.972 57.977 56.287 -0.471 0.000 0.927 114 K CB -0.260 31.866 32.500 -0.623 0.000 0.712 114 K HN 0.359 nan 8.250 nan 0.000 0.441 115 M N 1.287 120.765 119.600 -0.203 0.000 2.117 115 M HA -0.098 4.382 4.480 -0.000 0.000 0.262 115 M C 1.679 177.900 176.300 -0.131 0.000 1.065 115 M CA 1.491 56.728 55.300 -0.104 0.000 1.114 115 M CB -0.170 32.427 32.600 -0.006 0.000 1.361 115 M HN 0.238 nan 8.290 nan 0.000 0.408 116 I N -0.936 119.495 120.570 -0.232 0.000 2.113 116 I HA -0.297 3.873 4.170 -0.000 0.000 0.238 116 I C 1.839 177.711 176.117 -0.408 0.000 1.070 116 I CA 1.431 62.504 61.300 -0.379 0.000 1.332 116 I CB -0.540 37.127 38.000 -0.555 0.000 1.044 116 I HN 0.163 nan 8.210 nan 0.000 0.402 117 F N 0.632 120.265 119.950 -0.528 0.000 2.365 117 F HA -0.145 4.382 4.527 -0.000 0.000 0.300 117 F C 2.700 178.261 175.800 -0.398 0.000 1.090 117 F CA 0.940 58.548 58.000 -0.653 0.000 1.408 117 F CB -0.618 37.520 39.000 -1.437 0.000 1.060 117 F HN -0.043 nan 8.300 nan 0.000 0.534 118 S N -0.624 115.022 115.700 -0.089 0.000 2.382 118 S HA -0.180 4.290 4.470 -0.000 0.000 0.228 118 S C 1.569 176.244 174.600 0.125 0.000 1.027 118 S CA 1.542 59.773 58.200 0.052 0.000 0.991 118 S CB -0.177 63.027 63.200 0.007 0.000 0.823 118 S HN 0.399 nan 8.310 nan 0.000 0.469 119 D N -0.007 120.427 120.400 0.057 0.000 2.417 119 D HA 0.124 4.764 4.640 -0.000 0.000 0.207 119 D C 0.124 176.496 176.300 0.120 0.000 1.075 119 D CA 0.246 54.325 54.000 0.132 0.000 0.851 119 D CB 0.218 41.056 40.800 0.062 0.000 0.976 119 D HN 0.162 nan 8.370 nan 0.000 0.505 120 N N 0.564 119.225 118.700 -0.065 0.000 2.581 120 N HA 0.165 4.905 4.740 -0.000 0.000 0.279 120 N C -2.410 172.886 175.510 -0.358 0.000 1.124 120 N CA -1.570 51.385 53.050 -0.157 0.000 0.833 120 N CB 2.251 40.585 38.487 -0.254 0.000 1.338 120 N HN -0.307 nan 8.380 nan 0.000 0.533 121 P HA 0.017 nan 4.420 nan 0.000 0.225 121 P C 0.237 177.419 177.300 -0.196 0.000 1.148 121 P CA 0.824 63.819 63.100 -0.174 0.000 0.779 121 P CB 0.371 31.978 31.700 -0.155 0.000 0.780 122 L N -1.356 119.704 121.223 -0.272 0.000 3.096 122 L HA 0.365 4.705 4.340 -0.000 0.000 0.247 122 L C 1.814 178.456 176.870 -0.380 0.000 1.321 122 L CA 0.032 54.740 54.840 -0.219 0.000 1.044 122 L CB -0.638 41.357 42.059 -0.107 0.000 1.434 122 L HN -0.101 nan 8.230 nan 0.000 0.533 123 G N -0.066 108.194 108.800 -0.900 0.000 2.469 123 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.219 123 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.219 123 G C 1.442 176.099 174.900 -0.405 0.000 1.150 123 G CA 0.855 45.406 45.100 -0.915 0.000 0.763 123 G HN 0.377 nan 8.290 nan 0.000 0.561 124 L N 0.774 121.925 121.223 -0.120 0.000 2.072 124 L HA 0.071 4.411 4.340 -0.000 0.000 0.205 124 L C 2.903 179.775 176.870 0.004 0.000 1.079 124 L CA 2.488 57.366 54.840 0.063 0.000 0.752 124 L CB -1.101 41.134 42.059 0.293 0.000 0.906 124 L HN 0.178 nan 8.230 nan 0.000 0.436 125 T N -1.041 113.512 114.554 -0.001 0.000 2.684 125 T HA -0.232 4.118 4.350 -0.000 0.000 0.267 125 T C 1.988 176.662 174.700 -0.044 0.000 1.036 125 T CA 1.877 63.965 62.100 -0.019 0.000 1.148 125 T CB -0.700 68.153 68.868 -0.025 0.000 0.863 125 T HN 0.486 nan 8.240 nan 0.000 0.436 126 C N 1.278 120.530 119.300 -0.080 0.000 2.425 126 C HA 0.064 4.524 4.460 -0.000 0.000 0.277 126 C C 3.068 178.022 174.990 -0.061 0.000 1.280 126 C CA 0.276 59.249 59.018 -0.075 0.000 1.744 126 C CB -1.587 26.090 27.740 -0.106 0.000 1.989 126 C HN 0.739 nan 8.230 nan 0.000 0.491 127 G N 0.182 108.936 108.800 -0.077 0.000 2.442 127 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.219 127 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.219 127 G C 1.606 176.501 174.900 -0.009 0.000 1.141 127 G CA 0.812 45.886 45.100 -0.045 0.000 0.763 127 G HN 0.515 nan 8.290 nan 0.000 0.554 128 M N 0.087 119.681 119.600 -0.009 0.000 2.236 128 M HA 0.058 4.538 4.480 -0.000 0.000 0.266 128 M C 2.465 178.765 176.300 -0.000 0.000 1.070 128 M CA 1.079 56.381 55.300 0.004 0.000 1.137 128 M CB 0.239 32.841 32.600 0.004 0.000 1.378 128 M HN 0.250 nan 8.290 nan 0.000 0.426 129 V N -3.976 115.930 119.914 -0.012 0.000 3.645 129 V HA 0.194 4.314 4.120 -0.000 0.000 0.275 129 V C 0.770 176.855 176.094 -0.015 0.000 1.356 129 V CA -0.620 61.671 62.300 -0.014 0.000 1.051 129 V CB -0.754 31.056 31.823 -0.021 0.000 0.828 129 V HN 0.275 nan 8.190 nan 0.000 0.441 130 C N 4.361 123.651 119.300 -0.016 0.000 2.596 130 C HA 0.260 4.720 4.460 -0.000 0.000 0.414 130 C C -1.262 173.722 174.990 -0.011 0.000 1.396 130 C CA -0.076 58.933 59.018 -0.014 0.000 1.698 130 C CB 0.085 27.817 27.740 -0.014 0.000 2.572 130 C HN 0.548 nan 8.230 nan 0.000 0.604 131 P HA 0.090 nan 4.420 nan 0.000 0.225 131 P C 1.019 178.310 177.300 -0.016 0.000 1.813 131 P CA 0.266 63.355 63.100 -0.019 0.000 1.013 131 P CB -0.095 31.590 31.700 -0.025 0.000 1.961 132 T N -1.061 113.489 114.554 -0.007 0.000 2.721 132 T HA -0.255 4.095 4.350 -0.000 0.000 0.268 132 T C 1.851 176.546 174.700 -0.009 0.000 1.038 132 T CA 2.080 64.180 62.100 -0.001 0.000 1.145 132 T CB -1.276 67.601 68.868 0.015 0.000 0.858 132 T HN 0.330 nan 8.240 nan 0.000 0.459 133 S N 1.298 116.989 115.700 -0.014 0.000 2.440 133 S HA -0.142 4.328 4.470 -0.000 0.000 0.238 133 S C 1.599 176.173 174.600 -0.043 0.000 1.010 133 S CA 1.417 59.602 58.200 -0.026 0.000 0.972 133 S CB -0.554 62.633 63.200 -0.022 0.000 0.774 133 S HN 0.636 nan 8.310 nan 0.000 0.501 134 D N -0.363 120.016 120.400 -0.035 0.000 2.398 134 D HA 0.376 5.016 4.640 -0.000 0.000 0.210 134 D C 0.724 177.007 176.300 -0.028 0.000 1.094 134 D CA 0.016 53.994 54.000 -0.037 0.000 0.839 134 D CB 0.206 40.986 40.800 -0.034 0.000 0.963 134 D HN 0.431 nan 8.370 nan 0.000 0.506 135 L N -1.083 120.126 121.223 -0.023 0.000 2.825 135 L HA 0.221 4.561 4.340 -0.000 0.000 0.222 135 L C 2.367 179.230 176.870 -0.013 0.000 1.823 135 L CA -0.271 54.561 54.840 -0.013 0.000 2.706 135 L CB -0.740 41.316 42.059 -0.006 0.000 2.541 135 L HN 0.072 nan 8.230 nan 0.000 0.690 136 C N -0.123 119.175 119.300 -0.003 0.000 2.393 136 C HA -0.126 4.334 4.460 -0.000 0.000 0.276 136 C C 2.415 177.402 174.990 -0.005 0.000 1.215 136 C CA 0.608 59.626 59.018 -0.000 0.000 1.743 136 C CB -1.316 26.434 27.740 0.017 0.000 2.044 136 C HN 0.482 nan 8.230 nan 0.000 0.464 137 V N 2.207 122.121 119.914 0.001 0.000 2.594 137 V HA -0.022 4.098 4.120 -0.000 0.000 0.253 137 V C 2.984 179.064 176.094 -0.023 0.000 1.069 137 V CA 2.218 64.521 62.300 0.004 0.000 1.082 137 V CB -1.614 30.220 31.823 0.019 0.000 0.680 137 V HN 0.797 nan 8.190 nan 0.000 0.469 138 G N -0.109 108.662 108.800 -0.049 0.000 2.498 138 G HA2 -0.069 3.891 3.960 -0.000 0.000 0.219 138 G HA3 -0.069 3.891 3.960 -0.000 0.000 0.219 138 G C 1.295 176.124 174.900 -0.118 0.000 1.119 138 G CA 0.818 45.855 45.100 -0.105 0.000 0.766 138 G HN 0.627 nan 8.290 nan 0.000 0.552 139 G N -1.119 107.643 108.800 -0.063 0.000 3.324 139 G HA2 0.192 4.152 3.960 -0.000 0.000 0.251 139 G HA3 0.192 4.152 3.960 -0.000 0.000 0.251 139 G C 0.401 175.288 174.900 -0.020 0.000 1.072 139 G CA 0.033 45.105 45.100 -0.048 0.000 0.787 139 G HN 0.386 nan 8.290 nan 0.000 0.537 140 C N 1.523 120.821 119.300 -0.004 0.000 2.633 140 C HA 0.172 4.632 4.460 -0.000 0.000 0.415 140 C C 1.867 176.892 174.990 0.059 0.000 1.393 140 C CA -0.489 58.544 59.018 0.024 0.000 1.700 140 C CB -0.412 27.352 27.740 0.039 0.000 2.541 140 C HN 0.468 nan 8.230 nan 0.000 0.603 141 N N 3.231 121.955 118.700 0.040 0.000 2.205 141 N HA -0.103 4.637 4.740 -0.000 0.000 0.186 141 N C 1.446 176.997 175.510 0.069 0.000 1.015 141 N CA 1.295 54.376 53.050 0.051 0.000 0.862 141 N CB -0.138 38.363 38.487 0.024 0.000 0.986 141 N HN 0.775 nan 8.380 nan 0.000 0.429 142 L N 0.102 121.360 121.223 0.059 0.000 2.633 142 L HA -0.118 4.222 4.340 -0.000 0.000 0.235 142 L C 1.866 178.773 176.870 0.060 0.000 1.163 142 L CA 0.282 55.149 54.840 0.044 0.000 0.859 142 L CB -0.409 41.664 42.059 0.025 0.000 0.973 142 L HN 0.154 nan 8.230 nan 0.000 0.451 143 Y N 0.846 121.141 120.300 -0.009 0.000 2.421 143 Y HA -0.144 4.406 4.550 -0.000 0.000 0.292 143 Y C 2.219 178.114 175.900 -0.007 0.000 1.136 143 Y CA 0.879 58.975 58.100 -0.007 0.000 1.255 143 Y CB 0.038 38.495 38.460 -0.005 0.000 0.991 143 Y HN 0.130 nan 8.280 nan 0.000 0.552 144 A N 0.086 122.933 122.820 0.046 0.000 2.261 144 A HA 0.170 4.490 4.320 -0.000 0.000 0.208 144 A C 0.773 178.317 177.584 -0.068 0.000 1.223 144 A CA 0.715 52.745 52.037 -0.012 0.000 0.833 144 A CB -1.208 17.815 19.000 0.038 0.000 0.830 144 A HN 0.396 nan 8.150 nan 0.000 0.483 145 T N -5.028 109.466 114.554 -0.100 0.000 2.916 145 T HA 0.531 4.881 4.350 -0.000 0.000 0.292 145 T C 0.362 174.986 174.700 -0.125 0.000 1.055 145 T CA -0.451 61.596 62.100 -0.088 0.000 1.009 145 T CB 1.417 70.254 68.868 -0.051 0.000 1.118 145 T HN 0.089 nan 8.240 nan 0.000 0.497 146 E N 0.608 120.750 120.200 -0.097 0.000 2.110 146 E HA -0.138 4.212 4.350 -0.000 0.000 0.193 146 E C 2.101 178.649 176.600 -0.086 0.000 0.988 146 E CA 1.424 57.766 56.400 -0.097 0.000 0.804 146 E CB -0.037 29.621 29.700 -0.069 0.000 0.745 146 E HN 0.831 nan 8.360 nan 0.000 0.458 147 E N 0.539 120.702 120.200 -0.063 0.000 2.338 147 E HA -0.028 4.322 4.350 -0.000 0.000 0.197 147 E C 1.115 177.687 176.600 -0.046 0.000 1.007 147 E CA 0.890 57.264 56.400 -0.045 0.000 0.849 147 E CB -0.323 29.361 29.700 -0.027 0.000 0.774 147 E HN 0.127 nan 8.360 nan 0.000 0.506 148 G N 0.695 109.452 108.800 -0.071 0.000 2.728 148 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.294 148 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.294 148 G C -0.354 174.552 174.900 0.011 0.000 1.342 148 G CA -0.201 44.864 45.100 -0.058 0.000 0.866 148 G HN 0.264 nan 8.290 nan 0.000 0.534 149 S N -0.207 115.541 115.700 0.079 0.000 2.576 149 S HA 0.412 4.882 4.470 -0.000 0.000 0.272 149 S C 1.138 175.769 174.600 0.052 0.000 1.352 149 S CA -0.386 57.871 58.200 0.096 0.000 1.021 149 S CB 0.500 63.790 63.200 0.151 0.000 0.887 149 S HN 0.596 nan 8.310 nan 0.000 0.542 150 I N 2.781 123.373 120.570 0.036 0.000 2.575 150 I HA 0.061 4.231 4.170 -0.000 0.000 0.285 150 I C 0.835 176.970 176.117 0.031 0.000 1.085 150 I CA -0.220 61.092 61.300 0.019 0.000 1.403 150 I CB 0.150 38.147 38.000 -0.005 0.000 1.409 150 I HN 0.565 nan 8.210 nan 0.000 0.557 151 N N 6.651 125.371 118.700 0.032 0.000 2.971 151 N HA 0.110 4.850 4.740 -0.000 0.000 0.294 151 N C 1.024 176.573 175.510 0.065 0.000 1.210 151 N CA 0.098 53.176 53.050 0.046 0.000 1.157 151 N CB -0.112 38.399 38.487 0.041 0.000 1.450 151 N HN 0.499 nan 8.380 nan 0.000 0.527 152 I N 0.195 120.807 120.570 0.070 0.000 2.226 152 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 152 I C 2.247 178.468 176.117 0.173 0.000 1.100 152 I CA 1.247 62.619 61.300 0.121 0.000 1.374 152 I CB -0.326 37.732 38.000 0.097 0.000 1.057 152 I HN 0.498 nan 8.210 nan 0.000 0.413 153 G N 0.585 109.448 108.800 0.105 0.000 2.421 153 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.216 153 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.216 153 G C 1.735 176.686 174.900 0.085 0.000 1.171 153 G CA 0.821 45.968 45.100 0.078 0.000 0.775 153 G HN 0.493 nan 8.290 nan 0.000 0.543 154 G N 0.760 109.613 108.800 0.088 0.000 2.422 154 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.218 154 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.218 154 G C 1.809 176.790 174.900 0.135 0.000 1.146 154 G CA 0.731 45.886 45.100 0.091 0.000 0.769 154 G HN 0.425 nan 8.290 nan 0.000 0.547 155 L N -0.268 121.058 121.223 0.172 0.000 2.093 155 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 155 L C 2.951 180.007 176.870 0.310 0.000 1.085 155 L CA 1.398 56.398 54.840 0.267 0.000 0.755 155 L CB -0.366 41.870 42.059 0.295 0.000 0.904 155 L HN 0.319 nan 8.230 nan 0.000 0.435 156 Q N -0.073 119.854 119.800 0.210 0.000 2.119 156 Q HA -0.278 4.062 4.340 -0.000 0.000 0.201 156 Q C 2.241 178.207 176.000 -0.058 0.000 0.972 156 Q CA 1.635 57.372 55.803 -0.110 0.000 0.847 156 Q CB -0.001 28.623 28.738 -0.189 0.000 0.903 156 Q HN 0.467 nan 8.270 nan 0.000 0.433 157 Q N -0.598 119.220 119.800 0.029 0.000 2.050 157 Q HA -0.202 4.138 4.340 -0.000 0.000 0.202 157 Q C 1.878 177.900 176.000 0.037 0.000 0.980 157 Q CA 1.540 57.361 55.803 0.030 0.000 0.840 157 Q CB -0.235 28.535 28.738 0.052 0.000 0.898 157 Q HN 0.475 nan 8.270 nan 0.000 0.424 158 F N 0.831 120.756 119.950 -0.042 0.000 2.069 158 F HA -0.177 4.350 4.527 -0.000 0.000 0.298 158 F C 2.085 177.823 175.800 -0.104 0.000 1.113 158 F CA 1.733 59.677 58.000 -0.092 0.000 1.214 158 F CB -0.716 38.214 39.000 -0.117 0.000 0.978 158 F HN 0.153 nan 8.300 nan 0.000 0.474 159 A N -0.471 122.276 122.820 -0.123 0.000 1.908 159 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 159 A C 2.353 179.882 177.584 -0.092 0.000 1.181 159 A CA 2.205 54.159 52.037 -0.138 0.000 0.627 159 A CB -1.335 17.717 19.000 0.087 0.000 0.818 159 A HN 0.464 nan 8.150 nan 0.000 0.445 160 S N -0.378 115.310 115.700 -0.020 0.000 2.383 160 S HA -0.121 4.349 4.470 -0.000 0.000 0.227 160 S C 1.886 176.483 174.600 -0.004 0.000 1.026 160 S CA 1.179 59.467 58.200 0.148 0.000 0.981 160 S CB -0.260 63.078 63.200 0.229 0.000 0.818 160 S HN 0.588 nan 8.310 nan 0.000 0.472 161 E N 0.887 120.992 120.200 -0.159 0.000 2.051 161 E HA -0.084 4.266 4.350 -0.000 0.000 0.192 161 E C 2.288 178.728 176.600 -0.267 0.000 0.991 161 E CA 0.912 57.163 56.400 -0.248 0.000 0.799 161 E CB -0.409 29.150 29.700 -0.235 0.000 0.748 161 E HN 0.328 nan 8.360 nan 0.000 0.449 162 V N 1.446 121.154 119.914 -0.343 0.000 2.343 162 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 162 V C 2.186 178.344 176.094 0.107 0.000 1.051 162 V CA 1.757 63.946 62.300 -0.184 0.000 1.036 162 V CB -0.630 30.991 31.823 -0.337 0.000 0.654 162 V HN 0.169 nan 8.190 nan 0.000 0.451 163 F N 1.621 121.551 119.950 -0.034 0.000 2.095 163 F HA -0.218 4.309 4.527 0.000 0.000 0.298 163 F C 2.471 178.234 175.800 -0.062 0.000 1.104 163 F CA 2.329 60.353 58.000 0.040 0.000 1.232 163 F CB -0.472 38.537 39.000 0.015 0.000 0.987 163 F HN 0.066 nan 8.300 nan 0.000 0.475 164 K N 0.385 120.498 120.400 -0.479 0.000 2.063 164 K HA -0.177 4.143 4.320 -0.000 0.000 0.208 164 K C 2.125 178.420 176.600 -0.508 0.000 1.048 164 K CA 1.434 57.175 56.287 -0.910 0.000 0.928 164 K CB -0.505 31.221 32.500 -1.289 0.000 0.713 164 K HN 0.316 nan 8.250 nan 0.000 0.442 165 A N 0.786 123.468 122.820 -0.231 0.000 2.067 165 A HA -0.063 4.256 4.320 -0.000 0.000 0.219 165 A C 1.961 179.564 177.584 0.031 0.000 1.158 165 A CA 1.168 53.206 52.037 0.001 0.000 0.661 165 A CB -0.384 18.754 19.000 0.231 0.000 0.801 165 A HN 0.378 nan 8.150 nan 0.000 0.452 166 M N -0.860 118.707 119.600 -0.055 0.000 2.394 166 M HA -0.029 4.451 4.480 -0.000 0.000 0.264 166 M C -0.043 176.081 176.300 -0.293 0.000 1.073 166 M CA 0.390 55.605 55.300 -0.142 0.000 1.111 166 M CB -0.289 32.301 32.600 -0.017 0.000 1.401 166 M HN 0.415 nan 8.290 nan 0.000 0.448 167 N N 1.981 120.390 118.700 -0.486 0.000 2.714 167 N HA -0.163 4.577 4.740 -0.000 0.000 0.253 167 N C -1.095 174.186 175.510 -0.382 0.000 1.024 167 N CA 0.735 53.420 53.050 -0.609 0.000 0.726 167 N CB -1.118 36.593 38.487 -1.293 0.000 0.908 167 N HN 0.387 nan 8.380 nan 0.000 0.542 168 I N 1.375 121.753 120.570 -0.321 0.000 2.377 168 I HA 0.360 4.530 4.170 -0.000 0.000 0.293 168 I C -1.703 174.376 176.117 -0.064 0.000 0.987 168 I CA -1.708 59.530 61.300 -0.103 0.000 1.185 168 I CB 1.870 39.887 38.000 0.029 0.000 1.341 168 I HN -0.067 nan 8.210 nan 0.000 0.455 169 P HA 0.162 nan 4.420 nan 0.000 0.281 169 P C -1.383 175.922 177.300 0.008 0.000 1.264 169 P CA -0.641 62.458 63.100 -0.002 0.000 0.824 169 P CB 1.170 32.858 31.700 -0.020 0.000 1.092 170 Q N 0.843 120.620 119.800 -0.038 0.000 2.259 170 Q HA 0.544 4.884 4.340 -0.000 0.000 0.246 170 Q C -0.392 175.512 176.000 -0.159 0.000 0.920 170 Q CA -0.662 55.020 55.803 -0.200 0.000 0.895 170 Q CB 0.552 29.169 28.738 -0.201 0.000 1.220 170 Q HN 0.483 nan 8.270 nan 0.000 0.439 171 I N -0.765 119.689 120.570 -0.193 0.000 3.042 171 I HA 0.576 4.746 4.170 -0.000 0.000 0.310 171 I C -0.579 175.462 176.117 -0.126 0.000 1.117 171 I CA -1.513 59.712 61.300 -0.124 0.000 1.003 171 I CB 1.880 39.822 38.000 -0.097 0.000 1.228 171 I HN 0.640 nan 8.210 nan 0.000 0.443 172 R N 1.593 122.022 120.500 -0.119 0.000 2.615 172 R HA 0.249 4.589 4.340 -0.000 0.000 0.270 172 R C -0.232 175.934 176.300 -0.224 0.000 1.081 172 R CA -0.633 55.388 56.100 -0.132 0.000 1.154 172 R CB 0.090 30.315 30.300 -0.125 0.000 1.063 172 R HN 0.728 nan 8.270 nan 0.000 0.519 173 N N 2.747 121.263 118.700 -0.306 0.000 2.365 173 N HA -0.038 4.702 4.740 -0.000 0.000 0.265 173 N C -1.551 173.679 175.510 -0.466 0.000 1.288 173 N CA -1.501 51.149 53.050 -0.668 0.000 0.869 173 N CB 0.613 38.791 38.487 -0.516 0.000 1.071 173 N HN 0.453 nan 8.380 nan 0.000 0.480 174 P HA -0.084 nan 4.420 nan 0.000 0.226 174 P C 0.604 177.775 177.300 -0.213 0.000 1.146 174 P CA 0.743 63.682 63.100 -0.268 0.000 0.773 174 P CB 0.066 31.641 31.700 -0.209 0.000 0.772 175 C N -0.973 118.176 119.300 -0.251 0.000 2.533 175 C HA 0.180 4.640 4.460 -0.000 0.000 0.272 175 C C 1.627 176.529 174.990 -0.147 0.000 1.371 175 C CA -0.364 58.557 59.018 -0.162 0.000 1.758 175 C CB -1.209 26.449 27.740 -0.136 0.000 1.972 175 C HN 0.157 nan 8.230 nan 0.000 0.522 176 L N 1.821 122.935 121.223 -0.182 0.000 2.483 176 L HA 0.151 4.491 4.340 -0.000 0.000 0.276 176 L C -1.850 174.926 176.870 -0.156 0.000 1.213 176 L CA -0.924 53.809 54.840 -0.179 0.000 0.843 176 L CB -0.008 41.923 42.059 -0.213 0.000 1.107 176 L HN 0.022 nan 8.230 nan 0.000 0.487 177 P HA 0.042 nan 4.420 nan 0.000 0.272 177 P C -0.691 176.532 177.300 -0.128 0.000 1.240 177 P CA -0.462 62.563 63.100 -0.125 0.000 0.791 177 P CB 0.524 32.151 31.700 -0.123 0.000 0.978 178 S N 0.395 116.037 115.700 -0.097 0.000 2.576 178 S HA -0.021 4.449 4.470 -0.000 0.000 0.272 178 S C 1.315 175.859 174.600 -0.094 0.000 1.352 178 S CA -0.133 58.015 58.200 -0.087 0.000 1.021 178 S CB 0.313 63.476 63.200 -0.063 0.000 0.887 178 S HN 0.426 nan 8.310 nan 0.000 0.542 179 Q N 1.067 120.817 119.800 -0.084 0.000 2.062 179 Q HA -0.198 4.142 4.340 -0.000 0.000 0.209 179 Q C 2.164 178.127 176.000 -0.061 0.000 0.996 179 Q CA 2.244 58.000 55.803 -0.078 0.000 0.859 179 Q CB -0.216 28.488 28.738 -0.056 0.000 0.920 179 Q HN 0.932 nan 8.270 nan 0.000 0.415 180 E N 0.139 120.312 120.200 -0.045 0.000 2.478 180 E HA -0.158 4.192 4.350 -0.000 0.000 0.198 180 E C 0.691 177.271 176.600 -0.032 0.000 1.046 180 E CA 0.915 57.296 56.400 -0.031 0.000 0.870 180 E CB -0.005 29.681 29.700 -0.023 0.000 0.818 180 E HN 0.369 nan 8.360 nan 0.000 0.527 181 K N 0.044 120.415 120.400 -0.048 0.000 2.358 181 K HA 0.207 4.526 4.320 -0.000 0.000 0.197 181 K C 0.445 177.010 176.600 -0.057 0.000 1.025 181 K CA -0.272 55.988 56.287 -0.046 0.000 1.104 181 K CB 0.314 32.784 32.500 -0.050 0.000 0.855 181 K HN 0.064 nan 8.250 nan 0.000 0.531 182 M N 1.932 121.485 119.600 -0.078 0.000 2.233 182 M HA 0.192 4.672 4.480 -0.000 0.000 0.350 182 M C -2.191 174.113 176.300 0.007 0.000 1.176 182 M CA -2.388 52.849 55.300 -0.104 0.000 1.150 182 M CB -0.342 32.148 32.600 -0.183 0.000 1.530 182 M HN -0.180 nan 8.290 nan 0.000 0.459 183 P HA -0.012 nan 4.420 nan 0.000 0.269 183 P C 0.682 178.020 177.300 0.064 0.000 1.211 183 P CA 0.006 63.168 63.100 0.104 0.000 0.781 183 P CB 0.510 32.303 31.700 0.154 0.000 0.877 184 E N 1.626 121.830 120.200 0.006 0.000 2.118 184 E HA -0.261 4.089 4.350 -0.000 0.000 0.195 184 E C 1.742 178.190 176.600 -0.254 0.000 0.992 184 E CA 1.334 57.721 56.400 -0.022 0.000 0.804 184 E CB -0.385 29.366 29.700 0.085 0.000 0.741 184 E HN 0.490 nan 8.360 nan 0.000 0.458 185 A N 0.137 122.607 122.820 -0.584 0.000 1.986 185 A HA -0.203 4.117 4.320 -0.000 0.000 0.220 185 A C 1.636 178.797 177.584 -0.705 0.000 1.171 185 A CA 1.418 52.677 52.037 -1.296 0.000 0.640 185 A CB -0.892 17.480 19.000 -1.048 0.000 0.811 185 A HN 0.481 nan 8.150 nan 0.000 0.451 186 Y N 0.612 120.718 120.300 -0.323 0.000 2.616 186 Y HA -0.047 4.503 4.550 -0.000 0.000 0.296 186 Y C 2.452 178.329 175.900 -0.039 0.000 1.154 186 Y CA 0.950 58.870 58.100 -0.299 0.000 1.325 186 Y CB 0.041 38.243 38.460 -0.430 0.000 1.007 186 Y HN 0.454 nan 8.280 nan 0.000 0.542 187 S N -0.943 114.788 115.700 0.052 0.000 2.556 187 S HA 0.394 4.864 4.470 -0.000 0.000 0.216 187 S C 0.951 175.613 174.600 0.104 0.000 0.970 187 S CA -0.252 58.000 58.200 0.086 0.000 0.912 187 S CB -0.282 62.949 63.200 0.052 0.000 0.790 187 S HN 0.195 nan 8.310 nan 0.000 0.504 188 A N 2.238 125.120 122.820 0.104 0.000 2.546 188 A HA 0.234 4.554 4.320 -0.000 0.000 0.243 188 A C 0.277 177.951 177.584 0.150 0.000 1.063 188 A CA -0.063 52.066 52.037 0.152 0.000 0.757 188 A CB -0.083 19.015 19.000 0.163 0.000 0.991 188 A HN 0.546 nan 8.150 nan 0.000 0.503 189 K N 2.093 122.554 120.400 0.102 0.000 2.378 189 K HA 0.317 4.637 4.320 -0.000 0.000 0.288 189 K C -0.727 176.049 176.600 0.294 0.000 1.057 189 K CA 0.630 56.962 56.287 0.075 0.000 0.971 189 K CB 0.327 32.656 32.500 -0.286 0.000 0.975 189 K HN 0.591 nan 8.250 nan 0.000 0.475 190 I N 2.294 123.066 120.570 0.338 0.000 2.441 190 I HA 0.394 4.564 4.170 -0.000 0.000 0.295 190 I C -0.295 176.066 176.117 0.407 0.000 0.994 190 I CA -0.815 60.690 61.300 0.341 0.000 1.144 190 I CB 1.969 40.042 38.000 0.122 0.000 1.314 190 I HN 0.579 nan 8.210 nan 0.000 0.445 191 A N 6.935 129.960 122.820 0.341 0.000 2.365 191 A HA 0.918 5.238 4.320 -0.000 0.000 0.318 191 A C -1.229 176.480 177.584 0.208 0.000 1.091 191 A CA -0.432 51.742 52.037 0.229 0.000 0.763 191 A CB 1.214 20.195 19.000 -0.031 0.000 1.248 191 A HN 0.556 nan 8.150 nan 0.000 0.442 192 L N 2.307 123.658 121.223 0.213 0.000 2.386 192 L HA 0.505 4.845 4.340 -0.000 0.000 0.271 192 L C -0.832 176.175 176.870 0.227 0.000 0.993 192 L CA -0.313 54.669 54.840 0.238 0.000 0.819 192 L CB 1.900 44.093 42.059 0.223 0.000 1.294 192 L HN 0.477 nan 8.230 nan 0.000 0.414 193 L N 2.908 124.233 121.223 0.171 0.000 2.296 193 L HA 0.793 5.133 4.340 -0.000 0.000 0.286 193 L C 0.498 177.428 176.870 0.101 0.000 1.023 193 L CA -0.163 54.753 54.840 0.126 0.000 0.812 193 L CB 0.623 42.703 42.059 0.035 0.000 1.223 193 L HN 0.776 nan 8.230 nan 0.000 0.421 194 G N 3.040 111.900 108.800 0.101 0.000 3.190 194 G HA2 0.073 4.033 3.960 -0.000 0.000 0.686 194 G HA3 0.073 4.033 3.960 -0.000 0.000 0.686 194 G C -0.112 174.844 174.900 0.093 0.000 1.033 194 G CA -0.330 44.818 45.100 0.079 0.000 0.797 194 G HN 0.988 nan 8.290 nan 0.000 0.567 195 A N 1.946 124.808 122.820 0.070 0.000 3.258 195 A HA 0.769 5.089 4.320 -0.000 0.000 0.275 195 A C 1.263 178.897 177.584 0.084 0.000 1.452 195 A CA 1.072 53.150 52.037 0.069 0.000 1.120 195 A CB -0.267 18.761 19.000 0.047 0.000 1.107 195 A HN 2.103 nan 8.150 nan 0.000 0.651 196 G N -0.291 108.567 108.800 0.097 0.000 2.613 196 G HA2 0.508 4.468 3.960 -0.000 0.000 0.303 196 G HA3 0.508 4.468 3.960 -0.000 0.000 0.303 196 G C -1.632 173.319 174.900 0.085 0.000 1.312 196 G CA -1.486 43.670 45.100 0.093 0.000 1.036 196 G HN 0.099 nan 8.290 nan 0.000 0.513 197 P HA -0.174 nan 4.420 nan 0.000 0.216 197 P C 2.142 179.489 177.300 0.078 0.000 1.157 197 P CA 2.496 65.629 63.100 0.055 0.000 0.880 197 P CB 0.134 31.861 31.700 0.044 0.000 0.791 198 A N -0.886 122.012 122.820 0.130 0.000 1.865 198 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 198 A C 2.402 180.076 177.584 0.149 0.000 1.191 198 A CA 2.488 54.645 52.037 0.200 0.000 0.623 198 A CB -1.567 17.644 19.000 0.351 0.000 0.826 198 A HN 0.139 nan 8.150 nan 0.000 0.444 199 S N -0.409 115.433 115.700 0.237 0.000 2.383 199 S HA -0.046 4.424 4.470 -0.000 0.000 0.227 199 S C 1.807 176.416 174.600 0.015 0.000 1.026 199 S CA 1.259 59.550 58.200 0.151 0.000 0.981 199 S CB -0.478 62.865 63.200 0.239 0.000 0.818 199 S HN 0.510 nan 8.310 nan 0.000 0.472 200 I N 0.975 121.565 120.570 0.033 0.000 2.163 200 I HA -0.196 3.974 4.170 -0.000 0.000 0.243 200 I C 2.683 178.790 176.117 -0.017 0.000 1.085 200 I CA 1.167 62.468 61.300 0.002 0.000 1.347 200 I CB -0.418 37.585 38.000 0.004 0.000 1.044 200 I HN 0.294 nan 8.210 nan 0.000 0.408 201 S N -0.117 115.587 115.700 0.006 0.000 2.348 201 S HA -0.264 4.206 4.470 -0.000 0.000 0.221 201 S C 2.336 177.001 174.600 0.109 0.000 1.033 201 S CA 1.764 60.005 58.200 0.069 0.000 1.010 201 S CB -0.613 62.659 63.200 0.120 0.000 0.891 201 S HN 0.621 nan 8.310 nan 0.000 0.442 202 C N 1.620 120.871 119.300 -0.082 0.000 2.413 202 C HA 0.007 4.467 4.460 -0.000 0.000 0.277 202 C C 3.015 177.951 174.990 -0.089 0.000 1.228 202 C CA 1.348 60.234 59.018 -0.220 0.000 1.731 202 C CB -1.781 25.454 27.740 -0.842 0.000 2.042 202 C HN 0.688 nan 8.230 nan 0.000 0.468 203 A N -0.366 122.402 122.820 -0.086 0.000 1.933 203 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 203 A C 2.350 179.929 177.584 -0.009 0.000 1.175 203 A CA 2.256 54.274 52.037 -0.032 0.000 0.628 203 A CB -0.897 18.089 19.000 -0.022 0.000 0.814 203 A HN 0.654 nan 8.150 nan 0.000 0.444 204 S N -0.737 114.937 115.700 -0.043 0.000 2.348 204 S HA -0.124 4.346 4.470 -0.000 0.000 0.221 204 S C 1.614 176.133 174.600 -0.135 0.000 1.033 204 S CA 1.609 59.736 58.200 -0.122 0.000 1.010 204 S CB -0.553 62.502 63.200 -0.241 0.000 0.891 204 S HN 0.583 nan 8.310 nan 0.000 0.442 205 F N 1.473 121.434 119.950 0.018 0.000 2.186 205 F HA 0.009 4.536 4.527 0.000 0.000 0.299 205 F C 2.056 177.894 175.800 0.063 0.000 1.090 205 F CA 0.709 58.735 58.000 0.043 0.000 1.307 205 F CB -0.443 38.575 39.000 0.031 0.000 1.019 205 F HN 0.111 nan 8.300 nan 0.000 0.489 206 L N -0.470 120.880 121.223 0.211 0.000 2.046 206 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 206 L C 2.729 179.767 176.870 0.280 0.000 1.077 206 L CA 1.152 56.124 54.840 0.220 0.000 0.747 206 L CB -0.966 41.128 42.059 0.059 0.000 0.896 206 L HN 0.150 nan 8.230 nan 0.000 0.432 207 A N 0.031 122.942 122.820 0.151 0.000 1.933 207 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 207 A C 2.365 179.984 177.584 0.059 0.000 1.175 207 A CA 1.344 53.442 52.037 0.101 0.000 0.628 207 A CB -0.433 18.589 19.000 0.036 0.000 0.814 207 A HN 0.329 nan 8.150 nan 0.000 0.444 208 R N -0.599 119.936 120.500 0.058 0.000 2.096 208 R HA -0.018 4.322 4.340 -0.000 0.000 0.235 208 R C 1.831 178.149 176.300 0.031 0.000 1.127 208 R CA 1.347 57.474 56.100 0.044 0.000 0.968 208 R CB -0.498 29.855 30.300 0.088 0.000 0.861 208 R HN 0.489 nan 8.270 nan 0.000 0.440 209 L N -0.676 120.590 121.223 0.071 0.000 2.362 209 L HA -0.021 4.319 4.340 -0.000 0.000 0.219 209 L C 1.361 178.114 176.870 -0.194 0.000 1.134 209 L CA 1.040 55.866 54.840 -0.023 0.000 0.807 209 L CB -0.020 42.035 42.059 -0.007 0.000 0.927 209 L HN 0.582 nan 8.230 nan 0.000 0.447 210 G N -2.330 106.382 108.800 -0.148 0.000 2.205 210 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.180 210 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.180 210 G C -0.059 174.734 174.900 -0.179 0.000 1.004 210 G CA -0.714 44.204 45.100 -0.304 0.000 0.670 210 G HN 0.159 nan 8.290 nan 0.000 0.496 211 Y N 2.071 122.462 120.300 0.152 0.000 2.544 211 Y HA 0.340 4.890 4.550 -0.000 0.000 0.330 211 Y C 1.818 177.763 175.900 0.075 0.000 1.136 211 Y CA 0.846 59.046 58.100 0.166 0.000 1.417 211 Y CB 1.264 39.805 38.460 0.136 0.000 1.229 211 Y HN 0.247 nan 8.280 nan 0.000 0.532 212 S N -0.439 115.371 115.700 0.182 0.000 2.540 212 S HA 0.076 4.546 4.470 -0.000 0.000 0.218 212 S C 0.020 174.682 174.600 0.103 0.000 0.977 212 S CA -0.228 58.033 58.200 0.102 0.000 0.918 212 S CB 0.222 63.452 63.200 0.051 0.000 0.806 212 S HN 0.666 nan 8.310 nan 0.000 0.496 213 D N 1.439 121.925 120.400 0.143 0.000 2.443 213 D HA 0.410 5.050 4.640 -0.000 0.000 0.281 213 D C -1.115 175.268 176.300 0.138 0.000 1.210 213 D CA -0.273 53.798 54.000 0.118 0.000 0.875 213 D CB 0.211 41.074 40.800 0.104 0.000 1.125 213 D HN 0.340 nan 8.370 nan 0.000 0.503 214 I N 1.123 121.758 120.570 0.108 0.000 2.404 214 I HA 0.366 4.536 4.170 -0.000 0.000 0.293 214 I C -0.067 176.072 176.117 0.036 0.000 0.992 214 I CA -0.428 60.927 61.300 0.092 0.000 1.149 214 I CB 2.250 40.292 38.000 0.070 0.000 1.315 214 I HN -0.062 nan 8.210 nan 0.000 0.446 215 T N 6.531 121.095 114.554 0.015 0.000 2.881 215 T HA 0.580 4.930 4.350 -0.000 0.000 0.290 215 T C -0.340 174.175 174.700 -0.309 0.000 1.000 215 T CA -0.413 61.573 62.100 -0.191 0.000 0.978 215 T CB 1.686 70.376 68.868 -0.298 0.000 0.997 215 T HN 0.260 nan 8.240 nan 0.000 0.443 216 I N 3.103 123.469 120.570 -0.339 0.000 2.354 216 I HA 0.438 4.608 4.170 -0.000 0.000 0.292 216 I C -0.931 174.969 176.117 -0.363 0.000 0.989 216 I CA -0.766 60.405 61.300 -0.215 0.000 1.188 216 I CB 1.023 38.980 38.000 -0.071 0.000 1.342 216 I HN 0.540 nan 8.210 nan 0.000 0.457 217 F N 4.399 124.358 119.950 0.014 0.000 2.388 217 F HA 0.359 4.886 4.527 -0.000 0.000 0.358 217 F C 0.366 176.160 175.800 -0.010 0.000 1.122 217 F CA -0.673 57.325 58.000 -0.003 0.000 1.056 217 F CB 1.190 40.176 39.000 -0.023 0.000 1.155 217 F HN 0.386 nan 8.300 nan 0.000 0.461 218 E N 3.459 123.729 120.200 0.117 0.000 2.166 218 E HA 0.234 4.583 4.350 -0.000 0.000 0.275 218 E C 0.685 177.286 176.600 0.002 0.000 0.941 218 E CA -0.571 55.851 56.400 0.036 0.000 0.784 218 E CB 1.555 31.246 29.700 -0.016 0.000 1.115 218 E HN 0.549 nan 8.360 nan 0.000 0.399 219 K N 3.069 123.452 120.400 -0.028 0.000 2.002 219 K HA -0.096 4.224 4.320 -0.000 0.000 0.209 219 K C 0.433 176.962 176.600 -0.118 0.000 1.048 219 K CA 1.027 57.283 56.287 -0.051 0.000 0.930 219 K CB 0.096 32.569 32.500 -0.046 0.000 0.714 219 K HN 0.540 nan 8.250 nan 0.000 0.438 220 Q N 0.462 120.113 119.800 -0.249 0.000 2.526 220 Q HA -0.062 4.278 4.340 -0.000 0.000 0.207 220 Q C 1.083 176.877 176.000 -0.343 0.000 1.078 220 Q CA 0.615 56.159 55.803 -0.432 0.000 1.041 220 Q CB 0.707 28.785 28.738 -1.101 0.000 1.228 220 Q HN 0.525 nan 8.270 nan 0.000 0.603 221 E N -0.670 119.341 120.200 -0.315 0.000 2.447 221 E HA -0.032 4.318 4.350 -0.000 0.000 0.195 221 E C -0.189 176.374 176.600 -0.062 0.000 1.028 221 E CA 0.211 56.540 56.400 -0.118 0.000 0.876 221 E CB -0.101 29.585 29.700 -0.022 0.000 0.885 221 E HN 0.485 nan 8.360 nan 0.000 0.500 222 Y N 0.279 120.583 120.300 0.006 0.000 2.534 222 Y HA 0.607 5.157 4.550 -0.000 0.000 0.329 222 Y C -0.122 175.806 175.900 0.047 0.000 1.154 222 Y CA -1.872 56.237 58.100 0.015 0.000 1.192 222 Y CB 0.855 39.297 38.460 -0.029 0.000 1.275 222 Y HN -0.116 nan 8.280 nan 0.000 0.491 223 V N -1.695 118.418 119.914 0.331 0.000 3.046 223 V HA 0.963 5.083 4.120 -0.000 0.000 0.316 223 V C 0.458 176.720 176.094 0.280 0.000 1.104 223 V CA -0.435 62.003 62.300 0.230 0.000 1.006 223 V CB 0.978 32.878 31.823 0.129 0.000 1.058 223 V HN 1.734 nan 8.190 nan 0.000 0.440 224 G N -0.364 108.546 108.800 0.183 0.000 2.211 224 G HA2 0.281 4.241 3.960 -0.000 0.000 0.201 224 G HA3 0.281 4.241 3.960 -0.000 0.000 0.201 224 G C 1.524 176.504 174.900 0.134 0.000 0.997 224 G CA 0.504 45.686 45.100 0.137 0.000 0.652 224 G HN 2.847 nan 8.290 nan 0.000 0.500 225 G N 0.100 109.014 108.800 0.190 0.000 2.564 225 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.273 225 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.273 225 G C 1.147 176.121 174.900 0.124 0.000 1.242 225 G CA 0.552 45.749 45.100 0.163 0.000 0.951 225 G HN 1.200 nan 8.290 nan 0.000 0.564 226 L N 0.578 121.845 121.223 0.073 0.000 2.187 226 L HA -0.107 4.233 4.340 -0.000 0.000 0.213 226 L C 3.162 180.029 176.870 -0.006 0.000 1.100 226 L CA 1.864 56.719 54.840 0.025 0.000 0.765 226 L CB -0.579 41.491 42.059 0.017 0.000 0.904 226 L HN 0.538 nan 8.230 nan 0.000 0.437 227 S N -1.027 114.679 115.700 0.010 0.000 2.419 227 S HA -0.160 4.310 4.470 -0.000 0.000 0.235 227 S C 1.949 176.541 174.600 -0.013 0.000 1.019 227 S CA 1.782 59.977 58.200 -0.008 0.000 0.982 227 S CB -0.135 63.066 63.200 0.002 0.000 0.789 227 S HN 0.484 nan 8.310 nan 0.000 0.490 228 T N 1.181 115.737 114.554 0.003 0.000 2.988 228 T HA 0.018 4.368 4.350 -0.000 0.000 0.240 228 T C 2.290 176.857 174.700 -0.222 0.000 1.014 228 T CA 1.070 63.157 62.100 -0.023 0.000 1.155 228 T CB -0.263 68.645 68.868 0.066 0.000 0.872 228 T HN 0.574 nan 8.240 nan 0.000 0.440 229 S N 1.152 116.696 115.700 -0.260 0.000 2.453 229 S HA 0.074 4.544 4.470 -0.000 0.000 0.231 229 S C 1.543 176.015 174.600 -0.214 0.000 1.005 229 S CA 0.834 58.834 58.200 -0.333 0.000 0.949 229 S CB -0.110 62.972 63.200 -0.198 0.000 0.774 229 S HN 0.544 nan 8.310 nan 0.000 0.510 230 E N -0.223 119.887 120.200 -0.150 0.000 2.489 230 E HA 0.360 4.710 4.350 -0.000 0.000 0.208 230 E C -0.247 176.263 176.600 -0.150 0.000 0.814 230 E CA -0.246 56.069 56.400 -0.140 0.000 1.348 230 E CB 0.433 30.084 29.700 -0.082 0.000 1.334 230 E HN 0.413 nan 8.360 nan 0.000 0.672 231 I N 4.692 125.184 120.570 -0.130 0.000 2.662 231 I HA 0.037 4.207 4.170 -0.000 0.000 0.285 231 I C -2.263 173.709 176.117 -0.241 0.000 1.161 231 I CA -1.689 59.522 61.300 -0.148 0.000 1.415 231 I CB 0.054 37.993 38.000 -0.102 0.000 1.385 231 I HN -0.219 nan 8.210 nan 0.000 0.552 232 P HA -0.106 nan 4.420 nan 0.000 0.265 232 P C 0.276 177.260 177.300 -0.527 0.000 1.187 232 P CA 0.079 62.780 63.100 -0.665 0.000 0.766 232 P CB 0.526 31.339 31.700 -1.477 0.000 0.820 233 Q N 3.387 122.962 119.800 -0.375 0.000 2.226 233 Q HA -0.164 4.176 4.340 -0.000 0.000 0.204 233 Q C 1.140 177.129 176.000 -0.019 0.000 0.975 233 Q CA 1.828 57.529 55.803 -0.169 0.000 0.866 233 Q CB -0.856 27.764 28.738 -0.197 0.000 0.915 233 Q HN 0.582 nan 8.270 nan 0.000 0.440 234 F N -2.045 117.999 119.950 0.157 0.000 2.804 234 F HA 0.360 4.887 4.527 -0.000 0.000 0.303 234 F C 1.338 177.172 175.800 0.058 0.000 1.154 234 F CA -0.039 58.030 58.000 0.115 0.000 1.401 234 F CB 0.008 39.072 39.000 0.105 0.000 1.106 234 F HN -0.032 nan 8.300 nan 0.000 0.568 235 R N -0.247 120.257 120.500 0.007 0.000 2.350 235 R HA 0.350 4.690 4.340 -0.000 0.000 0.199 235 R C -0.661 175.635 176.300 -0.007 0.000 0.876 235 R CA -0.096 56.023 56.100 0.032 0.000 1.062 235 R CB 0.428 30.711 30.300 -0.028 0.000 1.263 235 R HN 0.222 nan 8.270 nan 0.000 0.641 236 L N 2.607 123.795 121.223 -0.059 0.000 2.485 236 L HA 0.483 4.823 4.340 -0.000 0.000 0.260 236 L C -2.908 173.935 176.870 -0.045 0.000 0.998 236 L CA -2.171 52.643 54.840 -0.043 0.000 0.883 236 L CB 1.698 43.724 42.059 -0.054 0.000 1.196 236 L HN -0.189 nan 8.230 nan 0.000 0.443 237 P HA 0.015 nan 4.420 nan 0.000 0.265 237 P C 0.004 177.289 177.300 -0.025 0.000 1.193 237 P CA 0.172 63.259 63.100 -0.022 0.000 0.765 237 P CB 0.300 31.991 31.700 -0.016 0.000 0.823 238 Y N 3.658 123.891 120.300 -0.112 0.000 2.256 238 Y HA -0.298 4.252 4.550 -0.000 0.000 0.288 238 Y C 1.936 177.809 175.900 -0.044 0.000 1.155 238 Y CA 1.879 59.921 58.100 -0.097 0.000 1.203 238 Y CB -0.511 37.865 38.460 -0.141 0.000 0.980 238 Y HN 0.357 nan 8.280 nan 0.000 0.530 239 D N -0.368 119.941 120.400 -0.151 0.000 2.190 239 D HA -0.173 4.467 4.640 -0.000 0.000 0.200 239 D C 2.134 178.351 176.300 -0.139 0.000 0.992 239 D CA 1.459 55.372 54.000 -0.144 0.000 0.854 239 D CB -0.100 40.671 40.800 -0.048 0.000 0.936 239 D HN 0.325 nan 8.370 nan 0.000 0.462 240 V N -0.000 119.851 119.914 -0.105 0.000 2.307 240 V HA -0.205 3.915 4.120 -0.000 0.000 0.245 240 V C 2.790 178.892 176.094 0.014 0.000 1.045 240 V CA 1.180 63.486 62.300 0.011 0.000 1.024 240 V CB -0.373 31.456 31.823 0.010 0.000 0.651 240 V HN 0.088 nan 8.190 nan 0.000 0.449 241 V N 0.951 120.759 119.914 -0.176 0.000 2.295 241 V HA -0.297 3.823 4.120 -0.000 0.000 0.246 241 V C 2.395 178.349 176.094 -0.233 0.000 1.049 241 V CA 2.421 64.595 62.300 -0.211 0.000 1.024 241 V CB -0.967 30.673 31.823 -0.305 0.000 0.648 241 V HN 0.701 nan 8.190 nan 0.000 0.447 242 N N -0.085 118.377 118.700 -0.397 0.000 2.223 242 N HA -0.218 4.522 4.740 -0.000 0.000 0.185 242 N C 1.993 177.467 175.510 -0.060 0.000 1.016 242 N CA 1.729 54.638 53.050 -0.234 0.000 0.863 242 N CB -0.151 38.185 38.487 -0.251 0.000 0.983 242 N HN 0.498 nan 8.380 nan 0.000 0.429 243 F N 2.088 121.946 119.950 -0.153 0.000 2.102 243 F HA -0.073 4.454 4.527 -0.000 0.000 0.298 243 F C 2.045 177.814 175.800 -0.051 0.000 1.105 243 F CA 1.517 59.456 58.000 -0.103 0.000 1.239 243 F CB -0.511 38.431 39.000 -0.096 0.000 0.991 243 F HN 0.057 nan 8.300 nan 0.000 0.474 244 E N 0.213 120.181 120.200 -0.386 0.000 2.152 244 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 244 E C 2.349 178.812 176.600 -0.228 0.000 0.983 244 E CA 0.993 57.148 56.400 -0.409 0.000 0.818 244 E CB -0.084 29.533 29.700 -0.138 0.000 0.758 244 E HN 0.384 nan 8.360 nan 0.000 0.467 245 I N 1.556 122.037 120.570 -0.147 0.000 2.202 245 I HA -0.194 3.976 4.170 -0.000 0.000 0.242 245 I C 2.196 178.258 176.117 -0.092 0.000 1.091 245 I CA 1.240 62.487 61.300 -0.088 0.000 1.368 245 I CB -0.831 37.140 38.000 -0.049 0.000 1.058 245 I HN 0.094 nan 8.210 nan 0.000 0.410 246 E N 0.817 120.954 120.200 -0.105 0.000 2.110 246 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 246 E C 2.433 178.970 176.600 -0.105 0.000 0.988 246 E CA 0.778 57.129 56.400 -0.083 0.000 0.804 246 E CB -0.299 29.367 29.700 -0.057 0.000 0.745 246 E HN 0.472 nan 8.360 nan 0.000 0.458 247 L N 0.387 121.499 121.223 -0.184 0.000 2.042 247 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 247 L C 2.713 179.545 176.870 -0.063 0.000 1.076 247 L CA 1.186 55.945 54.840 -0.136 0.000 0.749 247 L CB -0.373 41.551 42.059 -0.225 0.000 0.893 247 L HN 0.190 nan 8.230 nan 0.000 0.432 248 M N -0.082 119.474 119.600 -0.074 0.000 2.117 248 M HA -0.232 4.248 4.480 -0.000 0.000 0.262 248 M C 2.143 178.417 176.300 -0.042 0.000 1.065 248 M CA 1.773 57.042 55.300 -0.051 0.000 1.114 248 M CB -0.051 32.517 32.600 -0.054 0.000 1.361 248 M HN 0.053 nan 8.290 nan 0.000 0.408 249 K N 0.151 120.524 120.400 -0.044 0.000 2.280 249 K HA -0.144 4.176 4.320 -0.000 0.000 0.202 249 K C 1.237 177.818 176.600 -0.032 0.000 1.047 249 K CA 1.191 57.458 56.287 -0.033 0.000 0.942 249 K CB -0.220 32.262 32.500 -0.029 0.000 0.739 249 K HN 0.427 nan 8.250 nan 0.000 0.457 250 D N 0.930 121.307 120.400 -0.039 0.000 2.263 250 D HA -0.116 4.524 4.640 -0.000 0.000 0.208 250 D C 1.336 177.612 176.300 -0.040 0.000 0.971 250 D CA 0.945 54.922 54.000 -0.039 0.000 0.867 250 D CB 0.104 40.876 40.800 -0.046 0.000 0.929 250 D HN 0.205 nan 8.370 nan 0.000 0.492 251 L N -0.843 120.357 121.223 -0.038 0.000 2.611 251 L HA 0.214 4.554 4.340 -0.000 0.000 0.229 251 L C 1.515 178.374 176.870 -0.018 0.000 1.137 251 L CA 0.248 55.067 54.840 -0.034 0.000 0.901 251 L CB 0.109 42.148 42.059 -0.034 0.000 1.098 251 L HN 0.091 nan 8.230 nan 0.000 0.456 252 G N -0.250 108.540 108.800 -0.016 0.000 2.195 252 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.246 252 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.246 252 G C 0.376 175.275 174.900 -0.001 0.000 0.984 252 G CA 0.021 45.117 45.100 -0.006 0.000 0.633 252 G HN 0.087 nan 8.290 nan 0.000 0.525 253 V N 1.414 121.325 119.914 -0.005 0.000 2.617 253 V HA 0.272 4.392 4.120 -0.000 0.000 0.304 253 V C 0.870 176.950 176.094 -0.023 0.000 1.040 253 V CA 0.755 63.050 62.300 -0.008 0.000 1.149 253 V CB 1.017 32.831 31.823 -0.015 0.000 0.914 253 V HN 0.398 nan 8.190 nan 0.000 0.487 254 K N 5.337 125.714 120.400 -0.037 0.000 2.164 254 K HA 0.711 5.031 4.320 -0.000 0.000 0.258 254 K C -0.878 175.656 176.600 -0.109 0.000 0.951 254 K CA -0.510 55.741 56.287 -0.060 0.000 0.844 254 K CB 1.937 34.403 32.500 -0.056 0.000 1.099 254 K HN 0.499 nan 8.250 nan 0.000 0.435 255 I N 3.802 124.315 120.570 -0.095 0.000 2.466 255 I HA 0.388 4.558 4.170 -0.000 0.000 0.289 255 I C -0.686 175.371 176.117 -0.101 0.000 1.026 255 I CA -0.744 60.490 61.300 -0.111 0.000 1.078 255 I CB 1.548 39.518 38.000 -0.050 0.000 1.249 255 I HN 0.413 nan 8.210 nan 0.000 0.429 256 I N 5.356 125.841 120.570 -0.141 0.000 2.411 256 I HA 0.346 4.516 4.170 -0.000 0.000 0.284 256 I C -0.282 175.851 176.117 0.028 0.000 1.012 256 I CA -0.379 60.896 61.300 -0.041 0.000 1.119 256 I CB 1.580 39.574 38.000 -0.011 0.000 1.261 256 I HN 0.570 nan 8.210 nan 0.000 0.448 257 C N 3.397 122.711 119.300 0.024 0.000 2.403 257 C HA 0.648 5.108 4.460 -0.000 0.000 0.361 257 C C 1.560 176.568 174.990 0.030 0.000 1.274 257 C CA 0.472 59.497 59.018 0.013 0.000 2.433 257 C CB 0.746 28.476 27.740 -0.016 0.000 2.323 257 C HN 1.102 nan 8.230 nan 0.000 0.614 258 G N 1.049 109.851 108.800 0.003 0.000 2.148 258 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.254 258 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.254 258 G C -0.318 174.603 174.900 0.034 0.000 0.981 258 G CA 0.053 45.158 45.100 0.010 0.000 0.670 258 G HN 0.605 nan 8.290 nan 0.000 0.528 259 K N 0.878 121.318 120.400 0.066 0.000 2.358 259 K HA 0.668 4.988 4.320 -0.000 0.000 0.260 259 K C -0.356 176.271 176.600 0.046 0.000 0.956 259 K CA -0.373 55.961 56.287 0.078 0.000 0.834 259 K CB 1.824 34.455 32.500 0.218 0.000 1.102 259 K HN 0.145 nan 8.250 nan 0.000 0.431 260 S N 1.639 117.337 115.700 -0.005 0.000 2.621 260 S HA 0.436 4.906 4.470 -0.000 0.000 0.302 260 S C -0.636 173.937 174.600 -0.045 0.000 1.093 260 S CA -0.819 57.373 58.200 -0.014 0.000 1.017 260 S CB 1.437 64.627 63.200 -0.015 0.000 1.077 260 S HN 0.470 nan 8.310 nan 0.000 0.517 261 L N 3.588 124.791 121.223 -0.034 0.000 2.268 261 L HA 0.631 4.971 4.340 -0.000 0.000 0.289 261 L C -0.296 176.555 176.870 -0.031 0.000 1.064 261 L CA 0.577 55.388 54.840 -0.049 0.000 0.824 261 L CB -0.414 41.623 42.059 -0.038 0.000 1.202 261 L HN 0.766 nan 8.230 nan 0.000 0.433 262 S N 1.463 117.141 115.700 -0.036 0.000 2.578 262 S HA 0.242 4.712 4.470 -0.000 0.000 0.272 262 S C 0.448 175.034 174.600 -0.024 0.000 1.145 262 S CA -0.203 57.984 58.200 -0.022 0.000 0.835 262 S CB 0.671 63.860 63.200 -0.017 0.000 1.104 262 S HN 0.746 nan 8.310 nan 0.000 0.458 263 E N 1.197 121.386 120.200 -0.017 0.000 2.331 263 E HA -0.199 4.151 4.350 -0.000 0.000 0.199 263 E C 0.583 177.174 176.600 -0.015 0.000 1.008 263 E CA 1.431 57.822 56.400 -0.015 0.000 0.843 263 E CB -0.329 29.362 29.700 -0.014 0.000 0.761 263 E HN 0.533 nan 8.360 nan 0.000 0.507 264 N N -0.162 118.528 118.700 -0.016 0.000 2.336 264 N HA 0.100 4.840 4.740 -0.000 0.000 0.189 264 N C 0.217 175.715 175.510 -0.020 0.000 1.113 264 N CA 0.365 53.407 53.050 -0.014 0.000 0.858 264 N CB 0.737 39.217 38.487 -0.011 0.000 0.970 264 N HN 0.399 nan 8.380 nan 0.000 0.471 265 E N -0.977 119.204 120.200 -0.031 0.000 4.069 265 E HA 0.355 4.705 4.350 -0.000 0.000 0.186 265 E C -0.725 175.831 176.600 -0.074 0.000 1.219 265 E CA -0.449 55.922 56.400 -0.048 0.000 0.751 265 E CB 0.609 30.277 29.700 -0.053 0.000 2.924 265 E HN -0.127 nan 8.360 nan 0.000 0.552 266 I N 2.455 122.956 120.570 -0.115 0.000 2.395 266 I HA 0.241 4.411 4.170 -0.000 0.000 0.289 266 I C 0.014 176.070 176.117 -0.103 0.000 1.023 266 I CA -0.091 61.110 61.300 -0.164 0.000 1.350 266 I CB 1.290 39.103 38.000 -0.311 0.000 1.409 266 I HN 0.376 nan 8.210 nan 0.000 0.507 267 T N 2.496 117.010 114.554 -0.067 0.000 2.865 267 T HA 0.480 4.830 4.350 -0.000 0.000 0.294 267 T C 0.855 175.570 174.700 0.026 0.000 1.119 267 T CA -0.909 61.179 62.100 -0.020 0.000 1.007 267 T CB 1.425 70.295 68.868 0.005 0.000 1.225 267 T HN 0.402 nan 8.240 nan 0.000 0.515 268 L N 0.728 121.989 121.223 0.063 0.000 2.083 268 L HA -0.080 4.260 4.340 -0.000 0.000 0.209 268 L C 2.563 179.626 176.870 0.322 0.000 1.083 268 L CA 1.114 56.067 54.840 0.190 0.000 0.752 268 L CB -0.644 41.488 42.059 0.122 0.000 0.899 268 L HN 0.659 nan 8.230 nan 0.000 0.433 269 N N -0.253 118.554 118.700 0.179 0.000 2.142 269 N HA -0.146 4.594 4.740 -0.000 0.000 0.186 269 N C 2.005 177.574 175.510 0.099 0.000 1.023 269 N CA 2.082 55.212 53.050 0.134 0.000 0.852 269 N CB -0.481 38.054 38.487 0.080 0.000 0.998 269 N HN 0.446 nan 8.380 nan 0.000 0.424 270 T N -0.328 114.269 114.554 0.072 0.000 2.821 270 T HA 0.012 4.362 4.350 -0.000 0.000 0.267 270 T C 2.219 176.977 174.700 0.096 0.000 1.046 270 T CA 0.604 62.736 62.100 0.053 0.000 1.139 270 T CB -0.514 68.358 68.868 0.007 0.000 0.871 270 T HN 0.061 nan 8.240 nan 0.000 0.454 271 L N 0.682 121.977 121.223 0.121 0.000 2.056 271 L HA 0.007 4.347 4.340 -0.000 0.000 0.207 271 L C 3.016 180.071 176.870 0.308 0.000 1.078 271 L CA 1.724 56.689 54.840 0.208 0.000 0.749 271 L CB -0.499 41.649 42.059 0.148 0.000 0.901 271 L HN 0.291 nan 8.230 nan 0.000 0.433 272 K N 0.571 121.068 120.400 0.161 0.000 2.057 272 K HA -0.208 4.112 4.320 -0.000 0.000 0.207 272 K C 1.866 178.438 176.600 -0.047 0.000 1.049 272 K CA 1.542 57.750 56.287 -0.132 0.000 0.931 272 K CB 0.042 32.379 32.500 -0.272 0.000 0.714 272 K HN 0.292 nan 8.250 nan 0.000 0.440 273 E N 0.176 120.389 120.200 0.020 0.000 2.274 273 E HA -0.129 4.221 4.350 -0.000 0.000 0.194 273 E C 1.291 177.913 176.600 0.036 0.000 0.996 273 E CA 0.831 57.239 56.400 0.014 0.000 0.840 273 E CB 0.194 29.908 29.700 0.023 0.000 0.772 273 E HN 0.401 nan 8.360 nan 0.000 0.491 274 E N -0.738 119.524 120.200 0.104 0.000 2.489 274 E HA 0.027 4.377 4.350 -0.000 0.000 0.193 274 E C 0.929 177.527 176.600 -0.002 0.000 1.057 274 E CA 0.326 56.789 56.400 0.105 0.000 0.866 274 E CB 0.592 30.446 29.700 0.256 0.000 0.916 274 E HN 0.364 nan 8.360 nan 0.000 0.500 275 G N 0.761 109.558 108.800 -0.006 0.000 2.179 275 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.220 275 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.220 275 G C -0.161 174.685 174.900 -0.090 0.000 0.990 275 G CA -0.428 44.621 45.100 -0.084 0.000 0.646 275 G HN 0.220 nan 8.290 nan 0.000 0.517 276 Y N 1.431 121.769 120.300 0.064 0.000 2.620 276 Y HA 0.323 4.873 4.550 -0.000 0.000 0.330 276 Y C 1.830 177.802 175.900 0.120 0.000 1.186 276 Y CA 0.477 58.666 58.100 0.149 0.000 1.467 276 Y CB 0.755 39.369 38.460 0.257 0.000 1.262 276 Y HN -0.064 nan 8.280 nan 0.000 0.550 277 K N 2.119 122.712 120.400 0.321 0.000 2.314 277 K HA 0.341 4.661 4.320 -0.000 0.000 0.198 277 K C 0.211 177.158 176.600 0.578 0.000 1.045 277 K CA 0.565 57.049 56.287 0.328 0.000 0.988 277 K CB 0.317 33.002 32.500 0.308 0.000 0.783 277 K HN 0.596 nan 8.250 nan 0.000 0.484 278 A N 0.242 123.429 122.820 0.612 0.000 2.594 278 A HA 0.756 5.076 4.320 -0.000 0.000 0.295 278 A C -1.649 176.202 177.584 0.445 0.000 1.071 278 A CA -0.416 51.974 52.037 0.589 0.000 0.685 278 A CB 1.721 20.933 19.000 0.352 0.000 1.285 278 A HN 0.056 nan 8.150 nan 0.000 0.405 279 A N 0.436 123.394 122.820 0.230 0.000 2.486 279 A HA 0.779 5.099 4.320 -0.000 0.000 0.300 279 A C -1.528 176.125 177.584 0.115 0.000 1.048 279 A CA -0.372 51.722 52.037 0.095 0.000 0.696 279 A CB 1.015 19.934 19.000 -0.134 0.000 1.278 279 A HN 1.764 nan 8.150 nan 0.000 0.405 280 F N 3.669 123.624 119.950 0.008 0.000 2.467 280 F HA 0.667 5.194 4.527 -0.000 0.000 0.336 280 F C -0.899 174.903 175.800 0.003 0.000 1.123 280 F CA -1.236 56.778 58.000 0.023 0.000 0.964 280 F CB 1.168 40.181 39.000 0.021 0.000 1.136 280 F HN 0.371 nan 8.300 nan 0.000 0.447 281 I N 5.672 125.762 120.570 -0.800 0.000 2.297 281 I HA 0.347 4.517 4.170 -0.000 0.000 0.291 281 I C 0.663 176.340 176.117 -0.733 0.000 1.033 281 I CA -0.495 60.465 61.300 -0.566 0.000 1.253 281 I CB 0.542 38.307 38.000 -0.393 0.000 1.396 281 I HN 0.854 nan 8.210 nan 0.000 0.476 282 G N 6.329 114.943 108.800 -0.310 0.000 4.904 282 G HA2 0.338 4.298 3.960 -0.000 0.000 0.265 282 G HA3 0.338 4.298 3.960 -0.000 0.000 0.265 282 G C 0.728 175.632 174.900 0.007 0.000 1.227 282 G CA -0.196 44.854 45.100 -0.083 0.000 0.926 282 G HN 0.694 nan 8.290 nan 0.000 0.581 283 I N -2.055 118.494 120.570 -0.034 0.000 3.684 283 I HA 0.435 4.605 4.170 -0.000 0.000 0.304 283 I C 1.229 177.355 176.117 0.014 0.000 1.278 283 I CA 0.295 61.596 61.300 0.002 0.000 1.272 283 I CB -0.101 37.894 38.000 -0.007 0.000 1.029 283 I HN 0.334 nan 8.210 nan 0.000 0.458 284 G N 2.744 111.549 108.800 0.008 0.000 2.575 284 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.267 284 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.267 284 G C -0.360 174.551 174.900 0.019 0.000 1.264 284 G CA 0.145 45.257 45.100 0.019 0.000 0.935 284 G HN 0.361 nan 8.290 nan 0.000 0.568 285 L N 2.347 123.586 121.223 0.027 0.000 2.435 285 L HA 0.326 4.666 4.340 -0.000 0.000 0.253 285 L C -1.021 175.870 176.870 0.036 0.000 1.087 285 L CA -1.399 53.460 54.840 0.032 0.000 0.950 285 L CB 1.812 43.887 42.059 0.028 0.000 1.304 285 L HN 0.492 nan 8.230 nan 0.000 0.453 286 P HA -0.101 nan 4.420 nan 0.000 0.225 286 P C 0.053 177.377 177.300 0.040 0.000 1.148 286 P CA 0.944 64.068 63.100 0.039 0.000 0.779 286 P CB 0.534 32.255 31.700 0.034 0.000 0.780 287 E N 1.135 121.359 120.200 0.041 0.000 2.212 287 E HA 0.365 4.715 4.350 -0.000 0.000 0.268 287 E C -2.507 174.120 176.600 0.045 0.000 0.902 287 E CA -2.858 53.568 56.400 0.043 0.000 0.779 287 E CB 1.603 31.330 29.700 0.045 0.000 1.172 287 E HN 0.126 nan 8.360 nan 0.000 0.409 288 P HA 0.007 nan 4.420 nan 0.000 0.275 288 P C -0.956 176.384 177.300 0.067 0.000 1.227 288 P CA -0.295 62.829 63.100 0.041 0.000 0.781 288 P CB 0.787 32.498 31.700 0.019 0.000 0.906 289 K N 2.608 123.061 120.400 0.089 0.000 2.349 289 K HA 0.197 4.517 4.320 -0.000 0.000 0.289 289 K C 0.294 177.003 176.600 0.183 0.000 1.064 289 K CA -0.172 56.197 56.287 0.136 0.000 0.947 289 K CB 0.146 32.744 32.500 0.164 0.000 1.007 289 K HN 0.518 nan 8.250 nan 0.000 0.478 290 T N 0.450 115.110 114.554 0.178 0.000 2.884 290 T HA 0.347 4.697 4.350 -0.000 0.000 0.277 290 T C -0.446 174.436 174.700 0.304 0.000 0.976 290 T CA -0.882 61.350 62.100 0.221 0.000 0.956 290 T CB 1.562 70.531 68.868 0.168 0.000 1.113 290 T HN 0.573 nan 8.240 nan 0.000 0.554 291 D N -1.229 119.395 120.400 0.373 0.000 2.859 291 D HA 0.219 4.859 4.640 -0.000 0.000 0.223 291 D C 0.192 176.587 176.300 0.158 0.000 1.218 291 D CA -0.432 53.764 54.000 0.326 0.000 0.850 291 D CB 2.645 43.772 40.800 0.545 0.000 1.656 291 D HN 0.550 nan 8.370 nan 0.000 0.484 292 D N 2.034 122.451 120.400 0.029 0.000 2.157 292 D HA -0.186 4.454 4.640 -0.000 0.000 0.191 292 D C 1.930 178.116 176.300 -0.190 0.000 1.004 292 D CA 1.773 55.737 54.000 -0.060 0.000 0.854 292 D CB -0.017 40.745 40.800 -0.064 0.000 0.936 292 D HN 0.584 nan 8.370 nan 0.000 0.446 293 I N -1.177 119.174 120.570 -0.365 0.000 2.623 293 I HA -0.224 3.946 4.170 -0.000 0.000 0.261 293 I C 1.007 176.630 176.117 -0.823 0.000 1.204 293 I CA 0.764 61.681 61.300 -0.638 0.000 1.444 293 I CB -0.575 36.882 38.000 -0.904 0.000 1.094 293 I HN -0.010 nan 8.210 nan 0.000 0.451 294 F N 0.540 120.341 119.950 -0.248 0.000 2.653 294 F HA 0.236 4.763 4.527 -0.000 0.000 0.304 294 F C 1.297 176.841 175.800 -0.427 0.000 1.092 294 F CA -0.689 56.999 58.000 -0.520 0.000 1.279 294 F CB -0.149 38.368 39.000 -0.806 0.000 1.044 294 F HN -0.005 nan 8.300 nan 0.000 0.564 295 Q N 0.864 120.576 119.800 -0.146 0.000 2.286 295 Q HA 0.320 4.660 4.340 -0.000 0.000 0.290 295 Q C 1.398 177.333 176.000 -0.109 0.000 1.049 295 Q CA 1.458 57.204 55.803 -0.095 0.000 0.923 295 Q CB 0.613 29.306 28.738 -0.076 0.000 1.183 295 Q HN 0.553 nan 8.270 nan 0.000 0.383 296 G N 3.129 111.886 108.800 -0.073 0.000 2.304 296 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.252 296 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.252 296 G C 0.013 174.872 174.900 -0.069 0.000 1.014 296 G CA 0.190 45.254 45.100 -0.061 0.000 0.619 296 G HN 0.593 nan 8.290 nan 0.000 0.525 297 L N 2.384 123.525 121.223 -0.137 0.000 2.499 297 L HA 0.467 4.807 4.340 -0.000 0.000 0.273 297 L C 1.336 178.214 176.870 0.015 0.000 1.195 297 L CA 0.711 55.470 54.840 -0.134 0.000 0.882 297 L CB 0.553 42.362 42.059 -0.416 0.000 1.133 297 L HN 0.528 nan 8.230 nan 0.000 0.483 298 T N -1.272 113.308 114.554 0.044 0.000 2.883 298 T HA 0.272 4.622 4.350 -0.000 0.000 0.284 298 T C 0.563 175.232 174.700 -0.051 0.000 1.041 298 T CA -0.817 61.301 62.100 0.029 0.000 1.007 298 T CB 1.592 70.454 68.868 -0.010 0.000 1.220 298 T HN 0.552 nan 8.240 nan 0.000 0.552 299 Q N -0.044 119.636 119.800 -0.200 0.000 2.119 299 Q HA -0.103 4.237 4.340 -0.000 0.000 0.201 299 Q C 1.643 177.515 176.000 -0.214 0.000 0.972 299 Q CA 1.570 57.093 55.803 -0.466 0.000 0.847 299 Q CB -0.143 28.317 28.738 -0.464 0.000 0.903 299 Q HN 0.648 nan 8.270 nan 0.000 0.433 300 D N 0.689 121.035 120.400 -0.090 0.000 2.190 300 D HA -0.192 4.447 4.640 -0.000 0.000 0.200 300 D C 1.575 177.872 176.300 -0.005 0.000 0.992 300 D CA 1.297 55.283 54.000 -0.025 0.000 0.854 300 D CB -0.002 40.792 40.800 -0.010 0.000 0.936 300 D HN 0.338 nan 8.370 nan 0.000 0.462 301 Q N -0.871 118.924 119.800 -0.008 0.000 2.389 301 Q HA 0.180 4.520 4.340 -0.000 0.000 0.204 301 Q C 1.214 177.240 176.000 0.044 0.000 0.944 301 Q CA 0.838 56.653 55.803 0.021 0.000 0.908 301 Q CB 0.662 29.415 28.738 0.026 0.000 1.002 301 Q HN 0.348 nan 8.270 nan 0.000 0.493 302 G N 0.018 108.829 108.800 0.018 0.000 2.143 302 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.175 302 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.175 302 G C -0.555 174.407 174.900 0.103 0.000 1.004 302 G CA -0.449 44.700 45.100 0.081 0.000 0.671 302 G HN 0.267 nan 8.290 nan 0.000 0.512 303 F N 1.527 121.371 119.950 -0.177 0.000 2.421 303 F HA 0.828 5.355 4.527 -0.000 0.000 0.337 303 F C -0.446 175.164 175.800 -0.317 0.000 1.105 303 F CA -1.410 56.500 58.000 -0.150 0.000 1.049 303 F CB 0.954 39.886 39.000 -0.114 0.000 1.139 303 F HN 0.061 nan 8.300 nan 0.000 0.479 304 Y N 1.437 120.947 120.300 -1.315 0.000 2.597 304 Y HA 0.503 5.053 4.550 -0.000 0.000 0.340 304 Y C -0.039 175.127 175.900 -1.222 0.000 1.097 304 Y CA -1.062 56.456 58.100 -0.969 0.000 1.037 304 Y CB 1.974 40.174 38.460 -0.434 0.000 1.305 304 Y HN 0.667 nan 8.280 nan 0.000 0.463 305 T N -3.083 111.174 114.554 -0.495 0.000 2.950 305 T HA 0.335 4.685 4.350 -0.000 0.000 0.288 305 T C 0.985 175.587 174.700 -0.163 0.000 1.035 305 T CA -0.133 61.736 62.100 -0.387 0.000 1.028 305 T CB 1.468 70.217 68.868 -0.199 0.000 1.109 305 T HN 0.731 nan 8.240 nan 0.000 0.514 306 S N 0.820 116.438 115.700 -0.135 0.000 2.387 306 S HA -0.161 4.309 4.470 -0.000 0.000 0.230 306 S C 1.745 176.347 174.600 0.003 0.000 1.035 306 S CA 0.596 58.778 58.200 -0.029 0.000 1.014 306 S CB -0.609 62.570 63.200 -0.035 0.000 0.836 306 S HN 0.653 nan 8.310 nan 0.000 0.466 307 K N 1.198 121.591 120.400 -0.011 0.000 2.283 307 K HA -0.017 4.303 4.320 -0.000 0.000 0.202 307 K C 1.237 177.853 176.600 0.026 0.000 1.048 307 K CA 1.178 57.469 56.287 0.008 0.000 0.948 307 K CB -0.327 32.181 32.500 0.013 0.000 0.742 307 K HN 0.582 nan 8.250 nan 0.000 0.458 308 D N -0.509 119.922 120.400 0.052 0.000 2.269 308 D HA -0.069 4.571 4.640 -0.000 0.000 0.220 308 D C 1.746 178.155 176.300 0.181 0.000 0.962 308 D CA 0.372 54.441 54.000 0.116 0.000 0.884 308 D CB -0.312 40.569 40.800 0.136 0.000 1.023 308 D HN 0.021 nan 8.370 nan 0.000 0.484 309 F N 2.375 122.325 119.950 0.001 0.000 2.014 309 F HA -0.092 4.435 4.527 -0.000 0.000 0.295 309 F C 2.269 177.983 175.800 -0.144 0.000 1.145 309 F CA 1.203 59.100 58.000 -0.172 0.000 1.178 309 F CB -0.722 38.058 39.000 -0.368 0.000 0.972 309 F HN -0.192 nan 8.300 nan 0.000 0.476 310 L N 0.191 121.205 121.223 -0.348 0.000 2.043 310 L HA -0.212 4.128 4.340 -0.000 0.000 0.212 310 L C -0.478 176.185 176.870 -0.344 0.000 1.075 310 L CA 1.653 56.238 54.840 -0.426 0.000 0.752 310 L CB -2.187 39.758 42.059 -0.190 0.000 0.891 310 L HN 0.174 nan 8.230 nan 0.000 0.432 311 P HA -0.156 nan 4.420 nan 0.000 0.218 311 P C 1.915 179.083 177.300 -0.219 0.000 1.149 311 P CA 1.232 64.213 63.100 -0.198 0.000 0.817 311 P CB 0.110 31.754 31.700 -0.093 0.000 0.785 312 L N -1.298 119.800 121.223 -0.208 0.000 2.027 312 L HA -0.138 4.202 4.340 -0.000 0.000 0.206 312 L C 2.281 179.004 176.870 -0.245 0.000 1.074 312 L CA 1.358 56.094 54.840 -0.173 0.000 0.745 312 L CB -1.052 40.952 42.059 -0.091 0.000 0.898 312 L HN -0.129 nan 8.230 nan 0.000 0.433 313 V N 0.000 119.687 119.914 -0.378 0.000 2.343 313 V HA -0.277 3.843 4.120 -0.000 0.000 0.247 313 V C 2.744 178.644 176.094 -0.322 0.000 1.051 313 V CA 1.724 63.830 62.300 -0.325 0.000 1.036 313 V CB -1.049 30.523 31.823 -0.418 0.000 0.654 313 V HN 0.469 nan 8.190 nan 0.000 0.451 314 A N 0.133 122.746 122.820 -0.344 0.000 1.858 314 A HA -0.252 4.068 4.320 -0.000 0.000 0.216 314 A C 2.300 179.652 177.584 -0.388 0.000 1.190 314 A CA 2.093 53.910 52.037 -0.367 0.000 0.617 314 A CB -0.514 18.277 19.000 -0.349 0.000 0.827 314 A HN 0.532 nan 8.150 nan 0.000 0.443 315 K N -0.360 119.835 120.400 -0.341 0.000 2.152 315 K HA -0.130 4.190 4.320 -0.000 0.000 0.206 315 K C 2.348 178.753 176.600 -0.325 0.000 1.048 315 K CA 1.455 57.552 56.287 -0.316 0.000 0.933 315 K CB -0.181 32.186 32.500 -0.223 0.000 0.721 315 K HN 0.496 nan 8.250 nan 0.000 0.447 316 S N 0.477 115.990 115.700 -0.311 0.000 2.425 316 S HA -0.060 4.410 4.470 -0.000 0.000 0.225 316 S C 1.850 176.224 174.600 -0.376 0.000 1.024 316 S CA 1.283 59.299 58.200 -0.306 0.000 0.951 316 S CB 0.039 63.133 63.200 -0.175 0.000 0.796 316 S HN 0.358 nan 8.310 nan 0.000 0.498 317 S N -0.117 115.252 115.700 -0.552 0.000 2.517 317 S HA 0.342 4.812 4.470 -0.000 0.000 0.214 317 S C 0.302 174.486 174.600 -0.695 0.000 0.991 317 S CA -0.444 57.244 58.200 -0.852 0.000 0.906 317 S CB -0.108 62.015 63.200 -1.796 0.000 0.789 317 S HN 0.345 nan 8.310 nan 0.000 0.513 318 K N 2.521 122.599 120.400 -0.537 0.000 2.347 318 K HA 0.585 4.905 4.320 -0.000 0.000 0.262 318 K C -0.677 175.653 176.600 -0.449 0.000 1.052 318 K CA -0.312 55.698 56.287 -0.460 0.000 0.946 318 K CB 1.389 33.638 32.500 -0.419 0.000 1.220 318 K HN 0.309 nan 8.250 nan 0.000 0.450 319 A N 1.763 124.329 122.820 -0.424 0.000 2.492 319 A HA 0.449 4.769 4.320 -0.000 0.000 0.254 319 A C 1.263 178.753 177.584 -0.157 0.000 1.091 319 A CA 0.917 52.818 52.037 -0.227 0.000 0.768 319 A CB -0.271 18.618 19.000 -0.186 0.000 1.028 319 A HN 0.972 nan 8.150 nan 0.000 0.498 320 G N 1.829 110.536 108.800 -0.154 0.000 2.259 320 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.217 320 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.217 320 G C 1.092 175.746 174.900 -0.410 0.000 1.001 320 G CA 0.738 45.765 45.100 -0.122 0.000 0.627 320 G HN 0.891 nan 8.290 nan 0.000 0.501 321 M N 0.299 119.430 119.600 -0.782 0.000 2.066 321 M HA 0.139 4.619 4.480 -0.000 0.000 0.259 321 M C 0.935 177.063 176.300 -0.287 0.000 1.074 321 M CA 1.993 56.821 55.300 -0.787 0.000 1.114 321 M CB -0.096 32.048 32.600 -0.760 0.000 1.306 321 M HN 0.368 nan 8.290 nan 0.000 0.411 322 C N 0.326 119.495 119.300 -0.219 0.000 2.411 322 C HA 0.612 5.072 4.460 -0.000 0.000 0.330 322 C C 1.757 176.718 174.990 -0.048 0.000 1.224 322 C CA -0.765 58.203 59.018 -0.084 0.000 1.770 322 C CB 1.075 28.768 27.740 -0.079 0.000 2.297 322 C HN 0.687 nan 8.230 nan 0.000 0.507 323 A N 1.357 124.175 122.820 -0.004 0.000 1.908 323 A HA -0.112 4.208 4.320 -0.000 0.000 0.218 323 A C 1.187 178.788 177.584 0.028 0.000 1.181 323 A CA 1.533 53.580 52.037 0.017 0.000 0.627 323 A CB -0.421 18.595 19.000 0.025 0.000 0.818 323 A HN 0.877 nan 8.150 nan 0.000 0.445 324 C N -0.155 119.159 119.300 0.024 0.000 2.405 324 C HA 0.504 4.964 4.460 -0.000 0.000 0.365 324 C C 0.418 175.438 174.990 0.051 0.000 1.233 324 C CA -1.024 58.023 59.018 0.047 0.000 2.230 324 C CB -0.034 27.730 27.740 0.041 0.000 2.443 324 C HN 0.612 nan 8.230 nan 0.000 0.556 325 H N 3.086 122.160 119.070 0.008 0.000 2.683 325 H HA 0.326 4.882 4.556 0.000 0.000 0.339 325 H C -0.308 175.024 175.328 0.007 0.000 1.081 325 H CA 0.562 56.617 56.048 0.012 0.000 1.432 325 H CB 1.059 30.831 29.762 0.016 0.000 1.462 325 H HN 0.794 nan 8.280 nan 0.000 0.557 326 S N 6.356 121.894 115.700 -0.271 0.000 2.501 326 S HA 0.366 4.836 4.470 -0.000 0.000 0.301 326 S C -2.486 172.092 174.600 -0.035 0.000 1.096 326 S CA -1.330 56.814 58.200 -0.094 0.000 1.063 326 S CB 1.965 65.085 63.200 -0.133 0.000 1.042 326 S HN 0.586 nan 8.310 nan 0.000 0.494 327 P HA 0.315 nan 4.420 nan 0.000 0.277 327 P C -0.899 176.440 177.300 0.066 0.000 1.240 327 P CA -0.769 62.397 63.100 0.110 0.000 0.798 327 P CB 0.427 32.190 31.700 0.103 0.000 0.979 328 L N 5.135 126.416 121.223 0.095 0.000 2.360 328 L HA 0.345 4.685 4.340 -0.000 0.000 0.276 328 L C -2.164 174.766 176.870 0.099 0.000 1.121 328 L CA -1.963 52.933 54.840 0.094 0.000 0.845 328 L CB -0.415 41.736 42.059 0.154 0.000 1.143 328 L HN 0.297 nan 8.230 nan 0.000 0.452 329 P HA 0.010 nan 4.420 nan 0.000 0.258 329 P C -0.951 176.434 177.300 0.141 0.000 1.172 329 P CA 0.188 63.368 63.100 0.133 0.000 0.762 329 P CB 0.147 31.932 31.700 0.141 0.000 0.764 330 S N 4.134 119.915 115.700 0.136 0.000 2.494 330 S HA 0.324 4.794 4.470 -0.000 0.000 0.312 330 S C 0.055 174.725 174.600 0.116 0.000 1.121 330 S CA -0.557 57.712 58.200 0.114 0.000 1.068 330 S CB -0.637 62.622 63.200 0.098 0.000 1.141 330 S HN 0.266 nan 8.310 nan 0.000 0.527 331 I N 4.037 124.666 120.570 0.099 0.000 2.354 331 I HA 0.469 4.639 4.170 -0.000 0.000 0.286 331 I C 0.325 176.475 176.117 0.055 0.000 1.007 331 I CA -0.562 60.780 61.300 0.069 0.000 1.167 331 I CB 1.219 39.236 38.000 0.029 0.000 1.320 331 I HN 0.526 nan 8.210 nan 0.000 0.458 332 R N 3.707 124.240 120.500 0.055 0.000 2.795 332 R HA 0.799 5.139 4.340 -0.000 0.000 0.275 332 R C -0.036 176.295 176.300 0.052 0.000 0.981 332 R CA -0.590 55.540 56.100 0.051 0.000 0.917 332 R CB 2.352 32.684 30.300 0.052 0.000 1.202 332 R HN 0.825 nan 8.270 nan 0.000 0.469 333 G N 0.717 109.549 108.800 0.054 0.000 2.587 333 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.212 333 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.212 333 G C -1.005 173.943 174.900 0.081 0.000 1.327 333 G CA -0.490 44.649 45.100 0.065 0.000 0.898 333 G HN 0.780 nan 8.290 nan 0.000 0.551 334 A N -0.867 122.017 122.820 0.106 0.000 2.409 334 A HA 0.651 4.971 4.320 -0.000 0.000 0.262 334 A C 0.313 177.976 177.584 0.131 0.000 1.113 334 A CA 0.397 52.537 52.037 0.172 0.000 0.790 334 A CB 0.771 19.886 19.000 0.192 0.000 1.046 334 A HN 1.844 nan 8.150 nan 0.000 0.496 335 V N 4.311 124.314 119.914 0.149 0.000 2.495 335 V HA 0.404 4.524 4.120 -0.000 0.000 0.298 335 V C -0.108 176.055 176.094 0.116 0.000 1.031 335 V CA -0.288 62.049 62.300 0.061 0.000 0.871 335 V CB 1.520 33.318 31.823 -0.043 0.000 0.988 335 V HN 0.756 nan 8.190 nan 0.000 0.432 336 I N 4.509 125.114 120.570 0.057 0.000 2.378 336 I HA 0.463 4.633 4.170 -0.000 0.000 0.291 336 I C -0.756 175.355 176.117 -0.010 0.000 0.992 336 I CA -0.738 60.609 61.300 0.080 0.000 1.154 336 I CB 2.091 40.167 38.000 0.127 0.000 1.315 336 I HN 0.278 nan 8.210 nan 0.000 0.448 337 V N 7.533 127.428 119.914 -0.032 0.000 2.384 337 V HA 0.382 4.502 4.120 -0.000 0.000 0.287 337 V C 0.050 176.129 176.094 -0.026 0.000 1.020 337 V CA -0.558 61.677 62.300 -0.107 0.000 0.850 337 V CB 1.673 33.387 31.823 -0.182 0.000 0.987 337 V HN 0.473 nan 8.190 nan 0.000 0.436 338 L N 5.107 126.334 121.223 0.007 0.000 2.276 338 L HA 0.870 5.210 4.340 -0.000 0.000 0.286 338 L C 0.736 177.759 176.870 0.255 0.000 1.061 338 L CA 0.101 55.065 54.840 0.207 0.000 0.807 338 L CB 1.123 43.379 42.059 0.329 0.000 1.177 338 L HN 0.921 nan 8.230 nan 0.000 0.429 339 G N 2.347 111.295 108.800 0.247 0.000 2.484 339 G HA2 0.194 4.154 3.960 -0.000 0.000 0.685 339 G HA3 0.194 4.154 3.960 -0.000 0.000 0.685 339 G C -0.492 174.388 174.900 -0.034 0.000 1.294 339 G CA -0.262 44.933 45.100 0.158 0.000 0.879 339 G HN 0.827 nan 8.290 nan 0.000 0.646 340 A N 0.066 122.824 122.820 -0.103 0.000 2.610 340 A HA 0.783 5.103 4.320 -0.000 0.000 0.291 340 A C 1.219 178.768 177.584 -0.058 0.000 1.116 340 A CA 1.262 53.137 52.037 -0.271 0.000 0.963 340 A CB -0.052 18.631 19.000 -0.528 0.000 1.220 340 A HN 2.224 nan 8.150 nan 0.000 0.530 341 G N -0.968 107.816 108.800 -0.027 0.000 2.621 341 G HA2 0.328 4.288 3.960 -0.000 0.000 0.271 341 G HA3 0.328 4.288 3.960 -0.000 0.000 0.271 341 G C 0.181 175.194 174.900 0.190 0.000 1.236 341 G CA -0.057 45.077 45.100 0.057 0.000 0.958 341 G HN 0.145 nan 8.290 nan 0.000 0.512 342 D N -0.474 120.030 120.400 0.173 0.000 2.178 342 D HA -0.100 4.540 4.640 -0.000 0.000 0.201 342 D C 2.514 178.934 176.300 0.201 0.000 0.980 342 D CA 1.454 55.594 54.000 0.234 0.000 0.842 342 D CB -0.004 40.850 40.800 0.090 0.000 0.948 342 D HN 0.329 nan 8.370 nan 0.000 0.472 343 T N 0.885 115.497 114.554 0.096 0.000 2.788 343 T HA -0.096 4.254 4.350 -0.000 0.000 0.268 343 T C 2.062 176.775 174.700 0.020 0.000 1.044 343 T CA 1.174 63.305 62.100 0.053 0.000 1.139 343 T CB -0.122 68.760 68.868 0.024 0.000 0.867 343 T HN 0.179 nan 8.240 nan 0.000 0.454 344 A N 0.982 123.769 122.820 -0.055 0.000 1.908 344 A HA -0.064 4.256 4.320 -0.000 0.000 0.218 344 A C 1.926 179.341 177.584 -0.281 0.000 1.181 344 A CA 1.486 53.390 52.037 -0.222 0.000 0.627 344 A CB -1.033 17.734 19.000 -0.389 0.000 0.818 344 A HN 0.527 nan 8.150 nan 0.000 0.445 345 F N 0.241 120.177 119.950 -0.024 0.000 2.234 345 F HA -0.115 4.412 4.527 -0.000 0.000 0.299 345 F C 2.003 177.833 175.800 0.049 0.000 1.087 345 F CA 1.342 59.339 58.000 -0.005 0.000 1.340 345 F CB -0.192 38.811 39.000 0.004 0.000 1.031 345 F HN 0.180 nan 8.300 nan 0.000 0.500 346 D N -0.695 119.827 120.400 0.203 0.000 2.224 346 D HA -0.099 4.541 4.640 -0.000 0.000 0.205 346 D C 2.243 178.652 176.300 0.181 0.000 0.965 346 D CA 0.831 54.938 54.000 0.177 0.000 0.852 346 D CB -0.381 40.469 40.800 0.084 0.000 0.947 346 D HN 0.269 nan 8.370 nan 0.000 0.494 347 C N 0.877 120.255 119.300 0.131 0.000 2.476 347 C HA 0.050 4.510 4.460 -0.000 0.000 0.278 347 C C 2.888 177.958 174.990 0.133 0.000 1.274 347 C CA 0.670 59.802 59.018 0.189 0.000 1.713 347 C CB -0.810 26.945 27.740 0.026 0.000 2.039 347 C HN 0.350 nan 8.230 nan 0.000 0.484 348 A N 1.434 124.266 122.820 0.019 0.000 1.865 348 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 348 A C 2.303 179.924 177.584 0.062 0.000 1.191 348 A CA 2.954 54.980 52.037 -0.019 0.000 0.623 348 A CB -1.402 17.544 19.000 -0.089 0.000 0.826 348 A HN 0.670 nan 8.150 nan 0.000 0.444 349 T N -2.754 111.880 114.554 0.135 0.000 2.788 349 T HA -0.108 4.242 4.350 -0.000 0.000 0.268 349 T C 1.971 176.780 174.700 0.183 0.000 1.044 349 T CA 1.868 64.041 62.100 0.121 0.000 1.139 349 T CB -0.595 68.388 68.868 0.192 0.000 0.867 349 T HN 0.274 nan 8.240 nan 0.000 0.454 350 S N 1.713 117.625 115.700 0.353 0.000 2.402 350 S HA 0.207 4.677 4.470 -0.000 0.000 0.229 350 S C 2.621 177.414 174.600 0.322 0.000 1.021 350 S CA 0.735 59.162 58.200 0.378 0.000 0.974 350 S CB -0.739 62.622 63.200 0.268 0.000 0.800 350 S HN 0.763 nan 8.310 nan 0.000 0.484 351 A N 1.834 124.840 122.820 0.310 0.000 1.908 351 A HA -0.058 4.262 4.320 -0.000 0.000 0.218 351 A C 2.068 179.705 177.584 0.088 0.000 1.181 351 A CA 1.222 53.373 52.037 0.191 0.000 0.627 351 A CB -0.800 18.178 19.000 -0.036 0.000 0.818 351 A HN 0.464 nan 8.150 nan 0.000 0.445 352 L N -1.502 119.738 121.223 0.029 0.000 2.079 352 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 352 L C 2.716 179.552 176.870 -0.057 0.000 1.081 352 L CA 1.427 56.249 54.840 -0.030 0.000 0.752 352 L CB -0.414 41.601 42.059 -0.074 0.000 0.896 352 L HN 0.225 nan 8.230 nan 0.000 0.433 353 R N -0.921 119.529 120.500 -0.084 0.000 2.189 353 R HA -0.059 4.281 4.340 -0.000 0.000 0.223 353 R C 2.070 178.351 176.300 -0.032 0.000 1.092 353 R CA 0.869 56.855 56.100 -0.191 0.000 0.989 353 R CB -0.852 29.184 30.300 -0.441 0.000 0.876 353 R HN 0.336 nan 8.270 nan 0.000 0.457 354 C N -1.461 117.880 119.300 0.069 0.000 2.618 354 C HA 0.369 4.829 4.460 -0.000 0.000 0.264 354 C C 1.543 176.580 174.990 0.078 0.000 1.334 354 C CA 0.663 59.750 59.018 0.115 0.000 1.731 354 C CB -0.540 27.311 27.740 0.184 0.000 1.852 354 C HN 0.725 nan 8.230 nan 0.000 0.566 355 G N -0.148 108.677 108.800 0.043 0.000 2.192 355 G HA2 0.043 4.003 3.960 -0.000 0.000 0.193 355 G HA3 0.043 4.003 3.960 -0.000 0.000 0.193 355 G C 0.177 175.094 174.900 0.029 0.000 0.999 355 G CA 0.016 45.137 45.100 0.035 0.000 0.659 355 G HN 0.814 nan 8.290 nan 0.000 0.503 356 A N 0.340 123.174 122.820 0.023 0.000 2.565 356 A HA 0.527 4.847 4.320 -0.000 0.000 0.237 356 A C 1.384 178.976 177.584 0.014 0.000 1.053 356 A CA 1.472 53.518 52.037 0.015 0.000 0.755 356 A CB 0.150 19.147 19.000 -0.005 0.000 0.980 356 A HN 0.669 nan 8.150 nan 0.000 0.506 357 R N 0.390 120.907 120.500 0.028 0.000 2.100 357 R HA 0.064 4.404 4.340 -0.000 0.000 0.220 357 R C 0.572 176.881 176.300 0.016 0.000 1.091 357 R CA 1.180 57.300 56.100 0.032 0.000 0.986 357 R CB 0.111 30.442 30.300 0.051 0.000 0.888 357 R HN 0.747 nan 8.270 nan 0.000 0.444 358 R N -0.725 119.782 120.500 0.013 0.000 2.643 358 R HA 0.355 4.695 4.340 -0.000 0.000 0.269 358 R C -2.063 174.193 176.300 -0.073 0.000 1.037 358 R CA -0.555 55.508 56.100 -0.062 0.000 0.894 358 R CB 2.302 32.589 30.300 -0.020 0.000 1.238 358 R HN -0.059 nan 8.270 nan 0.000 0.459 359 V N 4.445 124.224 119.914 -0.225 0.000 2.531 359 V HA 0.592 4.712 4.120 -0.000 0.000 0.301 359 V C -1.160 174.741 176.094 -0.321 0.000 1.034 359 V CA -0.586 61.622 62.300 -0.153 0.000 0.865 359 V CB 1.563 33.317 31.823 -0.116 0.000 0.995 359 V HN 0.585 nan 8.190 nan 0.000 0.424 360 F N 4.443 124.344 119.950 -0.080 0.000 2.458 360 F HA 0.645 5.172 4.527 -0.000 0.000 0.336 360 F C -0.073 175.627 175.800 -0.165 0.000 1.114 360 F CA -0.735 57.206 58.000 -0.098 0.000 0.987 360 F CB 1.717 40.676 39.000 -0.069 0.000 1.130 360 F HN 0.196 nan 8.300 nan 0.000 0.458 361 L N 4.305 125.468 121.223 -0.100 0.000 2.276 361 L HA 0.563 4.903 4.340 -0.000 0.000 0.286 361 L C -0.948 175.907 176.870 -0.025 0.000 1.024 361 L CA -0.661 54.062 54.840 -0.195 0.000 0.826 361 L CB 1.186 42.886 42.059 -0.598 0.000 1.211 361 L HN 0.329 nan 8.230 nan 0.000 0.422 362 V N 4.499 124.416 119.914 0.006 0.000 2.357 362 V HA 0.478 4.598 4.120 -0.000 0.000 0.284 362 V C -0.305 175.818 176.094 0.048 0.000 1.018 362 V CA -0.567 61.669 62.300 -0.107 0.000 0.841 362 V CB 0.901 32.626 31.823 -0.162 0.000 0.991 362 V HN 0.477 nan 8.190 nan 0.000 0.437 363 F N 2.412 122.338 119.950 -0.039 0.000 2.561 363 F HA 0.680 5.207 4.527 -0.000 0.000 0.321 363 F C 1.095 176.850 175.800 -0.076 0.000 1.065 363 F CA -1.417 56.547 58.000 -0.060 0.000 0.934 363 F CB 1.535 40.460 39.000 -0.125 0.000 1.215 363 F HN 0.443 nan 8.300 nan 0.000 0.471 364 R N 0.441 120.964 120.500 0.039 0.000 2.307 364 R HA 0.264 4.604 4.340 -0.000 0.000 0.199 364 R C -0.242 175.925 176.300 -0.221 0.000 1.000 364 R CA 0.493 56.555 56.100 -0.063 0.000 1.023 364 R CB -0.095 30.149 30.300 -0.094 0.000 0.908 364 R HN 0.644 nan 8.270 nan 0.000 0.473 365 K N 0.122 120.364 120.400 -0.264 0.000 2.296 365 K HA 0.440 4.760 4.320 -0.000 0.000 0.243 365 K C 0.052 176.373 176.600 -0.465 0.000 1.082 365 K CA -0.687 55.250 56.287 -0.584 0.000 0.929 365 K CB 1.159 33.215 32.500 -0.740 0.000 1.353 365 K HN 0.107 nan 8.250 nan 0.000 0.536 366 G N -0.131 108.424 108.800 -0.409 0.000 2.547 366 G HA2 0.144 4.104 3.960 -0.000 0.000 0.291 366 G HA3 0.144 4.104 3.960 -0.000 0.000 0.291 366 G C 0.096 175.146 174.900 0.250 0.000 1.211 366 G CA -0.268 44.661 45.100 -0.285 0.000 0.950 366 G HN 0.466 nan 8.290 nan 0.000 0.504 367 F N -0.182 119.944 119.950 0.292 0.000 2.134 367 F HA -0.123 4.404 4.527 -0.000 0.000 0.299 367 F C 2.839 178.691 175.800 0.088 0.000 1.097 367 F CA 1.338 59.476 58.000 0.230 0.000 1.264 367 F CB 0.047 39.189 39.000 0.235 0.000 1.001 367 F HN 0.094 nan 8.300 nan 0.000 0.479 368 V N -0.134 119.962 119.914 0.304 0.000 2.720 368 V HA -0.285 3.835 4.120 -0.000 0.000 0.256 368 V C 1.161 177.314 176.094 0.099 0.000 1.082 368 V CA 1.979 64.394 62.300 0.192 0.000 1.101 368 V CB -0.996 30.953 31.823 0.209 0.000 0.693 368 V HN 0.352 nan 8.190 nan 0.000 0.479 369 N N -0.455 118.285 118.700 0.067 0.000 2.398 369 N HA 0.213 4.953 4.740 -0.000 0.000 0.188 369 N C 0.362 175.800 175.510 -0.119 0.000 1.122 369 N CA 0.067 53.117 53.050 -0.001 0.000 0.866 369 N CB -0.043 38.448 38.487 0.007 0.000 0.970 369 N HN 0.412 nan 8.380 nan 0.000 0.462 370 I N 1.355 121.802 120.570 -0.206 0.000 2.662 370 I HA -0.058 4.112 4.170 -0.000 0.000 0.285 370 I C 0.819 176.853 176.117 -0.138 0.000 1.161 370 I CA 0.471 61.611 61.300 -0.266 0.000 1.415 370 I CB 0.637 38.419 38.000 -0.363 0.000 1.385 370 I HN 0.087 nan 8.210 nan 0.000 0.552 371 R N 4.623 125.061 120.500 -0.103 0.000 2.432 371 R HA 0.338 4.678 4.340 -0.000 0.000 0.260 371 R C 0.414 176.677 176.300 -0.061 0.000 0.935 371 R CA -0.281 55.777 56.100 -0.070 0.000 1.080 371 R CB 0.488 30.753 30.300 -0.058 0.000 1.155 371 R HN 0.693 nan 8.270 nan 0.000 0.531 372 A N 1.453 124.237 122.820 -0.060 0.000 2.407 372 A HA 0.287 4.607 4.320 -0.000 0.000 0.248 372 A C 0.648 178.146 177.584 -0.144 0.000 1.082 372 A CA -0.502 51.493 52.037 -0.070 0.000 0.785 372 A CB 0.363 19.339 19.000 -0.040 0.000 1.020 372 A HN 0.190 nan 8.150 nan 0.000 0.489 373 V N 1.127 120.967 119.914 -0.123 0.000 2.617 373 V HA 0.112 4.232 4.120 -0.000 0.000 0.304 373 V C -1.607 174.384 176.094 -0.172 0.000 1.040 373 V CA -0.477 61.753 62.300 -0.117 0.000 1.149 373 V CB 0.242 32.015 31.823 -0.083 0.000 0.914 373 V HN 0.764 nan 8.190 nan 0.000 0.487 374 P HA -0.147 nan 4.420 nan 0.000 0.216 374 P C 1.413 178.631 177.300 -0.137 0.000 1.154 374 P CA 1.878 64.899 63.100 -0.131 0.000 0.865 374 P CB 0.193 31.853 31.700 -0.067 0.000 0.789 375 E N -0.675 119.463 120.200 -0.103 0.000 2.118 375 E HA -0.200 4.150 4.350 -0.000 0.000 0.195 375 E C 2.031 178.548 176.600 -0.139 0.000 0.992 375 E CA 1.055 57.398 56.400 -0.096 0.000 0.804 375 E CB -0.786 28.876 29.700 -0.064 0.000 0.741 375 E HN 0.302 nan 8.360 nan 0.000 0.458 376 E N 0.062 120.160 120.200 -0.171 0.000 2.046 376 E HA -0.090 4.260 4.350 -0.000 0.000 0.190 376 E C 2.149 178.549 176.600 -0.334 0.000 0.982 376 E CA 0.701 56.986 56.400 -0.192 0.000 0.800 376 E CB -0.013 29.577 29.700 -0.183 0.000 0.756 376 E HN 0.121 nan 8.360 nan 0.000 0.449 377 V N 1.512 121.094 119.914 -0.553 0.000 2.332 377 V HA -0.263 3.857 4.120 -0.000 0.000 0.248 377 V C 2.496 178.480 176.094 -0.184 0.000 1.055 377 V CA 2.209 64.103 62.300 -0.677 0.000 1.038 377 V CB -0.541 30.948 31.823 -0.556 0.000 0.651 377 V HN 0.340 nan 8.190 nan 0.000 0.450 378 E N 0.162 120.282 120.200 -0.134 0.000 2.110 378 E HA -0.214 4.136 4.350 -0.000 0.000 0.193 378 E C 2.199 178.791 176.600 -0.013 0.000 0.988 378 E CA 1.285 57.659 56.400 -0.043 0.000 0.804 378 E CB -0.169 29.509 29.700 -0.038 0.000 0.745 378 E HN 0.601 nan 8.360 nan 0.000 0.458 379 L N 0.394 121.583 121.223 -0.056 0.000 2.042 379 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 379 L C 2.695 179.599 176.870 0.056 0.000 1.076 379 L CA 1.209 56.028 54.840 -0.035 0.000 0.749 379 L CB -0.507 41.530 42.059 -0.037 0.000 0.893 379 L HN 0.251 nan 8.230 nan 0.000 0.432 380 A N -0.138 122.770 122.820 0.148 0.000 1.929 380 A HA -0.212 4.108 4.320 -0.000 0.000 0.216 380 A C 2.401 180.156 177.584 0.284 0.000 1.176 380 A CA 1.634 53.822 52.037 0.253 0.000 0.628 380 A CB -0.365 18.926 19.000 0.485 0.000 0.816 380 A HN 0.312 nan 8.150 nan 0.000 0.444 381 K N 0.483 121.061 120.400 0.295 0.000 2.057 381 K HA -0.209 4.111 4.320 -0.000 0.000 0.207 381 K C 1.963 178.639 176.600 0.126 0.000 1.049 381 K CA 1.721 58.147 56.287 0.231 0.000 0.931 381 K CB -0.200 32.352 32.500 0.087 0.000 0.714 381 K HN 0.751 nan 8.250 nan 0.000 0.440 382 E N -0.005 120.248 120.200 0.088 0.000 2.347 382 E HA -0.149 4.201 4.350 -0.000 0.000 0.196 382 E C 0.609 177.236 176.600 0.046 0.000 1.008 382 E CA 0.833 57.270 56.400 0.061 0.000 0.852 382 E CB 0.054 29.800 29.700 0.077 0.000 0.783 382 E HN 0.403 nan 8.360 nan 0.000 0.505 383 E N 1.074 121.302 120.200 0.047 0.000 2.403 383 E HA 0.032 4.382 4.350 -0.000 0.000 0.188 383 E C -0.491 176.123 176.600 0.022 0.000 1.056 383 E CA -0.211 56.196 56.400 0.012 0.000 0.892 383 E CB 0.279 29.965 29.700 -0.024 0.000 1.049 383 E HN 0.062 nan 8.360 nan 0.000 0.465 384 K N -0.281 120.150 120.400 0.052 0.000 3.162 384 K HA -0.159 4.160 4.320 -0.000 0.000 0.268 384 K C -0.678 175.943 176.600 0.035 0.000 1.062 384 K CA 0.303 56.618 56.287 0.045 0.000 0.769 384 K CB -3.108 29.393 32.500 0.002 0.000 1.274 384 K HN 0.242 nan 8.250 nan 0.000 0.478 385 C N 0.836 120.206 119.300 0.117 0.000 2.463 385 C HA 0.346 4.806 4.460 -0.000 0.000 0.380 385 C C 1.303 176.391 174.990 0.164 0.000 1.264 385 C CA -0.623 58.419 59.018 0.040 0.000 2.161 385 C CB 0.944 28.697 27.740 0.022 0.000 2.515 385 C HN 0.417 nan 8.230 nan 0.000 0.565 386 E N 0.956 121.115 120.200 -0.069 0.000 2.313 386 E HA 0.561 4.911 4.350 -0.000 0.000 0.272 386 E C -1.435 175.315 176.600 0.251 0.000 1.038 386 E CA -0.206 56.263 56.400 0.115 0.000 0.863 386 E CB 0.422 29.993 29.700 -0.215 0.000 1.060 386 E HN 0.389 nan 8.360 nan 0.000 0.402 387 F N 3.191 123.289 119.950 0.247 0.000 2.467 387 F HA 0.431 4.958 4.527 -0.000 0.000 0.336 387 F C -0.557 175.387 175.800 0.240 0.000 1.123 387 F CA -0.725 57.502 58.000 0.378 0.000 0.964 387 F CB 1.056 40.487 39.000 0.718 0.000 1.136 387 F HN 0.255 nan 8.300 nan 0.000 0.447 388 L N 6.310 127.588 121.223 0.091 0.000 2.353 388 L HA 0.454 4.794 4.340 -0.000 0.000 0.270 388 L C -2.440 174.024 176.870 -0.678 0.000 1.003 388 L CA -1.784 52.966 54.840 -0.150 0.000 0.862 388 L CB 1.788 43.749 42.059 -0.163 0.000 1.221 388 L HN 0.323 nan 8.230 nan 0.000 0.430 389 P HA 0.269 nan 4.420 nan 0.000 0.279 389 P C -0.089 177.150 177.300 -0.102 0.000 1.276 389 P CA -0.444 62.270 63.100 -0.642 0.000 0.801 389 P CB 0.645 32.390 31.700 0.074 0.000 1.127 390 F N -2.533 117.385 119.950 -0.054 0.000 2.907 390 F HA -0.198 4.329 4.527 -0.000 0.000 0.244 390 F C -0.045 175.766 175.800 0.018 0.000 1.007 390 F CA 0.698 58.745 58.000 0.079 0.000 0.872 390 F CB -1.923 37.167 39.000 0.150 0.000 0.767 390 F HN 0.122 nan 8.300 nan 0.000 0.837 391 L N 0.183 121.441 121.223 0.058 0.000 2.439 391 L HA 0.497 4.837 4.340 -0.000 0.000 0.270 391 L C -0.060 176.951 176.870 0.234 0.000 0.972 391 L CA -0.610 54.284 54.840 0.090 0.000 0.836 391 L CB 2.226 44.167 42.059 -0.196 0.000 1.255 391 L HN 0.087 nan 8.230 nan 0.000 0.404 392 S N 4.890 120.771 115.700 0.302 0.000 2.449 392 S HA 0.598 5.068 4.470 -0.000 0.000 0.310 392 S C -2.455 172.272 174.600 0.212 0.000 1.096 392 S CA -1.516 56.826 58.200 0.236 0.000 1.095 392 S CB 1.428 64.696 63.200 0.114 0.000 1.007 392 S HN 0.309 nan 8.310 nan 0.000 0.474 393 P HA 0.223 nan 4.420 nan 0.000 0.267 393 P C -0.202 176.953 177.300 -0.242 0.000 1.200 393 P CA -0.135 62.761 63.100 -0.339 0.000 0.772 393 P CB 0.667 32.306 31.700 -0.101 0.000 0.855 394 R N 0.900 121.194 120.500 -0.342 0.000 2.769 394 R HA 0.273 4.613 4.340 -0.000 0.000 0.191 394 R C 0.452 176.582 176.300 -0.283 0.000 0.881 394 R CA 0.495 56.450 56.100 -0.241 0.000 1.133 394 R CB 0.652 30.866 30.300 -0.143 0.000 1.607 394 R HN 0.504 nan 8.270 nan 0.000 0.613 395 K N 0.555 120.763 120.400 -0.321 0.000 2.527 395 K HA 0.450 4.770 4.320 -0.000 0.000 0.260 395 K C -1.270 175.162 176.600 -0.279 0.000 0.937 395 K CA -0.580 55.540 56.287 -0.278 0.000 0.826 395 K CB 3.456 35.845 32.500 -0.185 0.000 1.359 395 K HN -0.267 nan 8.250 nan 0.000 0.434 396 V N 4.525 124.305 119.914 -0.225 0.000 2.250 396 V HA 0.226 4.346 4.120 -0.000 0.000 0.268 396 V C -0.054 175.980 176.094 -0.101 0.000 1.043 396 V CA -0.842 61.375 62.300 -0.138 0.000 0.814 396 V CB 0.468 32.238 31.823 -0.090 0.000 1.072 396 V HN 0.605 nan 8.190 nan 0.000 0.451 397 I N 4.054 124.565 120.570 -0.098 0.000 2.683 397 I HA 0.089 4.259 4.170 -0.000 0.000 0.286 397 I C 0.211 176.314 176.117 -0.023 0.000 1.175 397 I CA 0.620 61.888 61.300 -0.053 0.000 1.429 397 I CB 0.862 38.840 38.000 -0.037 0.000 1.371 397 I HN 0.187 nan 8.210 nan 0.000 0.569 398 V N 7.412 127.318 119.914 -0.014 0.000 2.445 398 V HA 0.247 4.367 4.120 -0.000 0.000 0.283 398 V C -0.098 175.999 176.094 0.004 0.000 1.014 398 V CA -0.928 61.370 62.300 -0.003 0.000 0.852 398 V CB 1.511 33.327 31.823 -0.011 0.000 1.021 398 V HN 0.561 nan 8.190 nan 0.000 0.435 399 K N 3.588 123.997 120.400 0.014 0.000 2.281 399 K HA 0.765 5.085 4.320 -0.000 0.000 0.272 399 K C 0.491 177.100 176.600 0.015 0.000 1.048 399 K CA 0.206 56.502 56.287 0.015 0.000 0.898 399 K CB 1.441 33.954 32.500 0.022 0.000 1.128 399 K HN 1.069 nan 8.250 nan 0.000 0.460 400 G N 1.236 110.042 108.800 0.011 0.000 2.661 400 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.685 400 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.685 400 G C 0.518 175.424 174.900 0.011 0.000 1.298 400 G CA -0.538 44.569 45.100 0.012 0.000 0.855 400 G HN 0.548 nan 8.290 nan 0.000 0.560 401 G N -0.426 108.381 108.800 0.011 0.000 3.079 401 G HA2 0.376 4.336 3.960 -0.000 0.000 0.205 401 G HA3 0.376 4.336 3.960 -0.000 0.000 0.205 401 G C 0.727 175.635 174.900 0.013 0.000 1.203 401 G CA 1.393 46.499 45.100 0.010 0.000 0.929 401 G HN 0.741 nan 8.290 nan 0.000 0.498 402 R N -1.563 118.947 120.500 0.017 0.000 2.734 402 R HA 0.421 4.761 4.340 -0.000 0.000 0.271 402 R C -0.871 175.445 176.300 0.027 0.000 1.021 402 R CA -1.014 55.101 56.100 0.025 0.000 0.893 402 R CB 1.407 31.727 30.300 0.033 0.000 1.244 402 R HN 0.119 nan 8.270 nan 0.000 0.464 403 I N 1.664 122.257 120.570 0.038 0.000 2.779 403 I HA 0.068 4.238 4.170 -0.000 0.000 0.285 403 I C 0.528 176.668 176.117 0.039 0.000 1.134 403 I CA 0.051 61.374 61.300 0.039 0.000 1.398 403 I CB 0.964 39.004 38.000 0.066 0.000 1.404 403 I HN 0.590 nan 8.210 nan 0.000 0.587 404 V N 3.231 123.163 119.914 0.030 0.000 3.415 404 V HA 0.766 4.886 4.120 -0.000 0.000 0.315 404 V C -0.168 175.941 176.094 0.025 0.000 1.516 404 V CA 0.426 62.746 62.300 0.032 0.000 1.122 404 V CB -0.495 31.349 31.823 0.035 0.000 0.988 404 V HN 1.025 nan 8.190 nan 0.000 0.474 405 A N -0.605 122.217 122.820 0.004 0.000 2.517 405 A HA 0.729 5.049 4.320 -0.000 0.000 0.296 405 A C -1.592 175.945 177.584 -0.078 0.000 0.983 405 A CA 0.028 52.043 52.037 -0.036 0.000 0.634 405 A CB 1.096 20.061 19.000 -0.059 0.000 1.341 405 A HN 0.985 nan 8.150 nan 0.000 0.438 406 V N 0.999 120.855 119.914 -0.097 0.000 2.760 406 V HA 0.515 4.635 4.120 -0.000 0.000 0.309 406 V C -0.334 175.613 176.094 -0.246 0.000 1.077 406 V CA -0.493 61.709 62.300 -0.164 0.000 0.910 406 V CB 1.881 33.655 31.823 -0.081 0.000 1.008 406 V HN 0.867 nan 8.190 nan 0.000 0.424 407 Q N 2.591 122.158 119.800 -0.388 0.000 2.257 407 Q HA 0.651 4.991 4.340 -0.000 0.000 0.255 407 Q C -1.605 174.174 176.000 -0.368 0.000 0.920 407 Q CA -0.191 55.454 55.803 -0.264 0.000 0.927 407 Q CB 1.758 30.380 28.738 -0.193 0.000 1.229 407 Q HN 0.622 nan 8.270 nan 0.000 0.433 408 F N 0.489 120.415 119.950 -0.040 0.000 2.654 408 F HA 0.627 5.154 4.527 -0.000 0.000 0.334 408 F C -0.137 175.671 175.800 0.013 0.000 1.078 408 F CA -1.039 56.957 58.000 -0.006 0.000 0.986 408 F CB 1.353 40.353 39.000 0.000 0.000 1.362 408 F HN 0.249 nan 8.300 nan 0.000 0.498 409 V N -0.844 119.213 119.914 0.239 0.000 2.841 409 V HA 0.673 4.793 4.120 -0.000 0.000 0.310 409 V C -0.526 175.670 176.094 0.169 0.000 1.090 409 V CA -1.292 61.101 62.300 0.154 0.000 0.930 409 V CB 1.703 33.585 31.823 0.099 0.000 1.014 409 V HN 0.726 nan 8.190 nan 0.000 0.425 410 R N 1.961 122.545 120.500 0.141 0.000 2.643 410 R HA 0.572 4.912 4.340 -0.000 0.000 0.270 410 R C 0.496 176.912 176.300 0.193 0.000 1.061 410 R CA 0.767 56.960 56.100 0.155 0.000 1.107 410 R CB 0.890 31.253 30.300 0.104 0.000 0.999 410 R HN 1.110 nan 8.270 nan 0.000 0.460 411 T N -1.149 113.579 114.554 0.290 0.000 2.916 411 T HA 0.614 4.964 4.350 -0.000 0.000 0.292 411 T C -0.591 174.386 174.700 0.463 0.000 1.064 411 T CA -0.963 61.367 62.100 0.384 0.000 1.011 411 T CB 2.242 71.389 68.868 0.464 0.000 1.152 411 T HN 0.551 nan 8.240 nan 0.000 0.510 412 E N -0.009 120.438 120.200 0.411 0.000 2.396 412 E HA 0.228 4.578 4.350 -0.000 0.000 0.280 412 E C -1.551 174.983 176.600 -0.110 0.000 1.065 412 E CA -0.758 55.744 56.400 0.170 0.000 0.831 412 E CB 2.539 32.245 29.700 0.010 0.000 1.272 412 E HN 0.686 nan 8.360 nan 0.000 0.443 413 Q N 1.677 121.228 119.800 -0.415 0.000 2.256 413 Q HA 0.208 4.548 4.340 -0.000 0.000 0.257 413 Q C -1.077 174.748 176.000 -0.292 0.000 0.936 413 Q CA -0.678 54.750 55.803 -0.625 0.000 0.903 413 Q CB 1.146 29.337 28.738 -0.911 0.000 1.263 413 Q HN 0.439 nan 8.270 nan 0.000 0.440 414 D N 0.595 120.867 120.400 -0.213 0.000 2.423 414 D HA 0.006 4.646 4.640 -0.000 0.000 0.255 414 D C 0.417 176.651 176.300 -0.110 0.000 1.174 414 D CA -0.293 53.635 54.000 -0.120 0.000 1.008 414 D CB 0.606 41.363 40.800 -0.072 0.000 1.101 414 D HN 0.488 nan 8.370 nan 0.000 0.516 415 E N -0.871 119.287 120.200 -0.071 0.000 2.160 415 E HA -0.239 4.111 4.350 -0.000 0.000 0.195 415 E C 1.866 178.438 176.600 -0.047 0.000 0.991 415 E CA 1.818 58.186 56.400 -0.054 0.000 0.810 415 E CB -0.490 29.189 29.700 -0.035 0.000 0.742 415 E HN 0.749 nan 8.360 nan 0.000 0.466 416 T N -2.006 112.522 114.554 -0.043 0.000 2.737 416 T HA -0.003 4.347 4.350 -0.000 0.000 0.265 416 T C 1.589 176.270 174.700 -0.032 0.000 1.038 416 T CA 1.202 63.285 62.100 -0.028 0.000 1.144 416 T CB 0.007 68.865 68.868 -0.016 0.000 0.866 416 T HN 0.336 nan 8.240 nan 0.000 0.434 417 G N 0.486 109.248 108.800 -0.064 0.000 2.192 417 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.152 417 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.152 417 G C -0.328 174.531 174.900 -0.067 0.000 1.057 417 G CA -0.398 44.659 45.100 -0.072 0.000 0.748 417 G HN 0.669 nan 8.290 nan 0.000 0.488 418 K N -0.477 119.863 120.400 -0.100 0.000 2.203 418 K HA 0.596 4.916 4.320 -0.000 0.000 0.251 418 K C -0.833 175.700 176.600 -0.111 0.000 0.944 418 K CA -0.916 55.359 56.287 -0.020 0.000 0.829 418 K CB 1.462 33.976 32.500 0.023 0.000 1.125 418 K HN 0.100 nan 8.250 nan 0.000 0.430 419 W N 1.954 123.286 121.300 0.054 0.000 2.390 419 W HA 0.342 5.002 4.660 -0.000 0.000 0.312 419 W C 0.091 176.645 176.519 0.059 0.000 1.123 419 W CA -0.443 56.943 57.345 0.070 0.000 1.202 419 W CB 0.947 30.446 29.460 0.066 0.000 1.251 419 W HN 0.366 nan 8.180 nan 0.000 0.511 420 N N 2.132 120.989 118.700 0.261 0.000 2.265 420 N HA 0.352 5.092 4.740 -0.000 0.000 0.300 420 N C -1.323 174.303 175.510 0.193 0.000 1.148 420 N CA -0.913 52.242 53.050 0.174 0.000 0.772 420 N CB 2.164 40.707 38.487 0.094 0.000 1.434 420 N HN 0.469 nan 8.380 nan 0.000 0.481 421 E N 0.403 120.688 120.200 0.141 0.000 2.267 421 E HA 0.119 4.469 4.350 -0.000 0.000 0.248 421 E C -1.385 175.269 176.600 0.091 0.000 0.899 421 E CA -0.616 55.863 56.400 0.130 0.000 0.764 421 E CB 1.501 31.268 29.700 0.113 0.000 1.227 421 E HN 0.311 nan 8.360 nan 0.000 0.421 422 D N 3.065 123.518 120.400 0.087 0.000 2.349 422 D HA -0.027 4.613 4.640 -0.000 0.000 0.266 422 D C 0.769 177.103 176.300 0.057 0.000 1.293 422 D CA 0.408 54.445 54.000 0.061 0.000 0.926 422 D CB 0.585 41.417 40.800 0.053 0.000 1.090 422 D HN 0.371 nan 8.370 nan 0.000 0.502 423 E N 2.090 122.316 120.200 0.044 0.000 2.338 423 E HA -0.145 4.205 4.350 -0.000 0.000 0.197 423 E C 0.557 177.177 176.600 0.033 0.000 1.007 423 E CA 0.596 57.017 56.400 0.036 0.000 0.849 423 E CB 0.334 30.048 29.700 0.025 0.000 0.774 423 E HN 0.507 nan 8.360 nan 0.000 0.506 424 D N 0.955 121.374 120.400 0.032 0.000 2.162 424 D HA -0.063 4.577 4.640 -0.000 0.000 0.203 424 D C 0.452 176.773 176.300 0.035 0.000 0.967 424 D CA 0.760 54.778 54.000 0.028 0.000 0.840 424 D CB 0.015 40.828 40.800 0.022 0.000 0.972 424 D HN 0.106 nan 8.370 nan 0.000 0.482 425 Q N 1.227 121.053 119.800 0.043 0.000 2.534 425 Q HA 0.210 4.550 4.340 -0.000 0.000 0.223 425 Q C 0.014 176.056 176.000 0.070 0.000 1.239 425 Q CA -0.169 55.664 55.803 0.051 0.000 0.936 425 Q CB 0.162 28.929 28.738 0.049 0.000 1.457 425 Q HN 0.398 nan 8.270 nan 0.000 0.547 426 I N -1.519 119.095 120.570 0.073 0.000 2.532 426 I HA 0.497 4.667 4.170 -0.000 0.000 0.292 426 I C -0.274 175.918 176.117 0.126 0.000 1.014 426 I CA -1.057 60.302 61.300 0.099 0.000 1.340 426 I CB 1.009 39.066 38.000 0.095 0.000 1.422 426 I HN -0.044 nan 8.210 nan 0.000 0.528 427 V N 4.651 124.666 119.914 0.168 0.000 2.487 427 V HA 0.332 4.452 4.120 -0.000 0.000 0.298 427 V C -0.309 175.920 176.094 0.225 0.000 1.028 427 V CA -0.477 61.932 62.300 0.182 0.000 0.860 427 V CB 1.338 33.262 31.823 0.169 0.000 0.991 427 V HN 0.691 nan 8.190 nan 0.000 0.427 428 H N 4.745 123.868 119.070 0.089 0.000 2.581 428 H HA 0.500 5.056 4.556 -0.000 0.000 0.308 428 H C -1.410 173.950 175.328 0.053 0.000 1.040 428 H CA -0.517 55.579 56.048 0.079 0.000 1.231 428 H CB 1.812 31.596 29.762 0.036 0.000 1.396 428 H HN 0.357 nan 8.280 nan 0.000 0.467 429 L N 4.899 126.145 121.223 0.037 0.000 2.333 429 L HA 0.280 4.620 4.340 -0.000 0.000 0.280 429 L C -0.043 176.805 176.870 -0.037 0.000 1.004 429 L CA -0.523 54.304 54.840 -0.021 0.000 0.820 429 L CB 1.506 43.544 42.059 -0.036 0.000 1.247 429 L HN 0.489 nan 8.230 nan 0.000 0.416 430 K N 3.119 123.475 120.400 -0.073 0.000 2.258 430 K HA 0.746 5.066 4.320 -0.000 0.000 0.264 430 K C -0.986 175.579 176.600 -0.059 0.000 1.007 430 K CA 0.102 56.366 56.287 -0.039 0.000 0.941 430 K CB 0.746 33.232 32.500 -0.024 0.000 0.966 430 K HN 0.807 nan 8.250 nan 0.000 0.480 431 A N 3.139 125.958 122.820 -0.002 0.000 2.585 431 A HA 0.220 4.539 4.320 -0.000 0.000 0.299 431 A C -1.264 176.347 177.584 0.045 0.000 1.047 431 A CA -0.757 51.294 52.037 0.024 0.000 0.723 431 A CB 1.014 20.035 19.000 0.035 0.000 1.275 431 A HN 0.793 nan 8.150 nan 0.000 0.408 432 D N -0.284 120.149 120.400 0.056 0.000 2.388 432 D HA 0.354 4.994 4.640 -0.000 0.000 0.208 432 D C 0.081 176.421 176.300 0.067 0.000 1.035 432 D CA 0.992 55.027 54.000 0.059 0.000 0.875 432 D CB 0.940 41.776 40.800 0.059 0.000 0.984 432 D HN 0.354 nan 8.370 nan 0.000 0.508 433 V N 0.632 120.582 119.914 0.060 0.000 2.888 433 V HA 0.487 4.607 4.120 -0.000 0.000 0.309 433 V C -0.863 175.249 176.094 0.031 0.000 1.114 433 V CA -0.915 61.419 62.300 0.057 0.000 0.940 433 V CB 2.866 34.694 31.823 0.010 0.000 1.021 433 V HN -0.286 nan 8.190 nan 0.000 0.426 434 V N 5.158 125.100 119.914 0.047 0.000 2.638 434 V HA 0.590 4.710 4.120 -0.000 0.000 0.306 434 V C -0.740 175.245 176.094 -0.181 0.000 1.052 434 V CA -0.359 61.947 62.300 0.010 0.000 0.885 434 V CB 1.996 33.920 31.823 0.169 0.000 0.999 434 V HN 0.716 nan 8.190 nan 0.000 0.424 435 I N 3.959 124.354 120.570 -0.291 0.000 2.447 435 I HA 0.430 4.600 4.170 -0.000 0.000 0.287 435 I C 0.162 176.007 176.117 -0.453 0.000 1.023 435 I CA -0.355 60.670 61.300 -0.458 0.000 1.083 435 I CB 2.277 39.977 38.000 -0.500 0.000 1.245 435 I HN 0.683 nan 8.210 nan 0.000 0.434 436 S N 4.703 120.012 115.700 -0.651 0.000 2.499 436 S HA 0.749 5.219 4.470 -0.000 0.000 0.279 436 S C 0.036 174.304 174.600 -0.553 0.000 1.219 436 S CA -0.569 57.145 58.200 -0.811 0.000 1.062 436 S CB 1.770 64.206 63.200 -1.274 0.000 0.978 436 S HN 0.723 nan 8.310 nan 0.000 0.489 437 A N 3.506 126.109 122.820 -0.361 0.000 3.248 437 A HA 0.529 4.849 4.320 -0.000 0.000 0.315 437 A C 0.026 177.711 177.584 0.167 0.000 0.974 437 A CA -0.778 51.201 52.037 -0.096 0.000 0.939 437 A CB -0.589 18.373 19.000 -0.065 0.000 1.061 437 A HN 0.922 nan 8.150 nan 0.000 0.481 438 F N 0.712 120.643 119.950 -0.032 0.000 2.797 438 F HA 0.352 4.879 4.527 -0.000 0.000 0.302 438 F C 1.584 177.376 175.800 -0.013 0.000 1.130 438 F CA 0.461 58.454 58.000 -0.010 0.000 1.387 438 F CB 0.441 39.455 39.000 0.024 0.000 1.107 438 F HN 0.662 nan 8.300 nan 0.000 0.577 439 G N 0.364 109.257 108.800 0.155 0.000 2.409 439 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.421 439 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.421 439 G C -1.151 173.787 174.900 0.064 0.000 1.259 439 G CA -0.844 44.305 45.100 0.081 0.000 1.011 439 G HN 0.071 nan 8.290 nan 0.000 0.497 440 S N -1.529 114.197 115.700 0.044 0.000 2.627 440 S HA 0.941 5.411 4.470 -0.000 0.000 0.283 440 S C -0.031 174.593 174.600 0.039 0.000 1.127 440 S CA 0.046 58.271 58.200 0.041 0.000 0.863 440 S CB 1.953 65.171 63.200 0.031 0.000 1.121 440 S HN 2.174 nan 8.310 nan 0.000 0.479 441 V N -0.974 118.968 119.914 0.046 0.000 3.203 441 V HA 0.822 4.942 4.120 -0.000 0.000 0.305 441 V C -2.054 174.074 176.094 0.057 0.000 1.361 441 V CA -1.028 61.303 62.300 0.052 0.000 1.066 441 V CB 1.714 33.572 31.823 0.060 0.000 1.085 441 V HN 0.700 nan 8.190 nan 0.000 0.456 442 L N 1.063 122.330 121.223 0.072 0.000 2.345 442 L HA 0.724 5.064 4.340 -0.000 0.000 0.274 442 L C 0.495 177.414 176.870 0.081 0.000 0.999 442 L CA 0.253 55.141 54.840 0.080 0.000 0.849 442 L CB 1.107 43.231 42.059 0.108 0.000 1.220 442 L HN 0.789 nan 8.230 nan 0.000 0.422 443 R N 1.067 121.602 120.500 0.058 0.000 2.350 443 R HA 0.186 4.526 4.340 -0.000 0.000 0.199 443 R C -0.266 176.047 176.300 0.022 0.000 0.876 443 R CA -0.466 55.659 56.100 0.041 0.000 1.062 443 R CB 0.314 30.638 30.300 0.041 0.000 1.263 443 R HN 0.592 nan 8.270 nan 0.000 0.641 444 D N 2.819 123.234 120.400 0.024 0.000 2.661 444 D HA -0.055 4.585 4.640 -0.000 0.000 0.244 444 D C -1.733 174.566 176.300 -0.003 0.000 1.196 444 D CA -0.787 53.220 54.000 0.012 0.000 0.881 444 D CB 1.192 42.002 40.800 0.016 0.000 1.141 444 D HN -0.013 nan 8.370 nan 0.000 0.530 445 P HA -0.126 nan 4.420 nan 0.000 0.218 445 P C 1.086 178.366 177.300 -0.033 0.000 1.148 445 P CA 1.216 64.294 63.100 -0.037 0.000 0.822 445 P CB 0.260 31.940 31.700 -0.033 0.000 0.784 446 K N -0.782 119.608 120.400 -0.018 0.000 2.148 446 K HA -0.052 4.268 4.320 -0.000 0.000 0.204 446 K C 1.825 178.418 176.600 -0.011 0.000 1.050 446 K CA 1.043 57.321 56.287 -0.015 0.000 0.942 446 K CB -0.528 31.966 32.500 -0.010 0.000 0.724 446 K HN 0.066 nan 8.250 nan 0.000 0.446 447 V N 1.581 121.493 119.914 -0.003 0.000 2.379 447 V HA -0.163 3.957 4.120 -0.000 0.000 0.243 447 V C 1.886 177.993 176.094 0.022 0.000 1.035 447 V CA 1.427 63.732 62.300 0.009 0.000 1.035 447 V CB -0.261 31.575 31.823 0.021 0.000 0.673 447 V HN 0.235 nan 8.190 nan 0.000 0.457 448 K N 0.123 120.530 120.400 0.011 0.000 2.103 448 K HA -0.239 4.081 4.320 -0.000 0.000 0.207 448 K C 2.090 178.655 176.600 -0.058 0.000 1.048 448 K CA 1.739 58.017 56.287 -0.015 0.000 0.930 448 K CB -0.148 32.259 32.500 -0.156 0.000 0.716 448 K HN 0.482 nan 8.250 nan 0.000 0.444 449 E N 0.374 120.540 120.200 -0.058 0.000 2.208 449 E HA -0.077 4.273 4.350 -0.000 0.000 0.193 449 E C 1.715 178.306 176.600 -0.015 0.000 0.988 449 E CA 0.482 56.852 56.400 -0.051 0.000 0.828 449 E CB 0.080 29.752 29.700 -0.046 0.000 0.763 449 E HN 0.331 nan 8.360 nan 0.000 0.478 450 A N 0.286 123.104 122.820 -0.004 0.000 2.168 450 A HA -0.041 4.279 4.320 -0.000 0.000 0.215 450 A C 1.740 179.331 177.584 0.012 0.000 1.152 450 A CA 0.558 52.595 52.037 0.000 0.000 0.716 450 A CB -0.142 18.852 19.000 -0.011 0.000 0.794 450 A HN 0.197 nan 8.150 nan 0.000 0.465 451 L N -0.340 120.907 121.223 0.039 0.000 2.607 451 L HA 0.109 4.449 4.340 -0.000 0.000 0.228 451 L C 1.182 178.097 176.870 0.074 0.000 1.123 451 L CA -0.188 54.690 54.840 0.062 0.000 0.890 451 L CB 0.059 42.221 42.059 0.172 0.000 1.103 451 L HN 0.331 nan 8.230 nan 0.000 0.468 452 S N 1.839 117.569 115.700 0.049 0.000 2.560 452 S HA 0.116 4.586 4.470 -0.000 0.000 0.284 452 S C -1.632 173.003 174.600 0.057 0.000 1.327 452 S CA -0.815 57.410 58.200 0.042 0.000 1.055 452 S CB 0.597 63.806 63.200 0.015 0.000 0.868 452 S HN 0.081 nan 8.310 nan 0.000 0.506 453 P HA 0.250 nan 4.420 nan 0.000 0.270 453 P C 0.239 177.571 177.300 0.054 0.000 1.754 453 P CA -0.378 62.752 63.100 0.049 0.000 1.202 453 P CB -0.640 31.087 31.700 0.043 0.000 1.592 454 I N -2.391 118.212 120.570 0.056 0.000 2.813 454 I HA 0.190 4.360 4.170 -0.000 0.000 0.287 454 I C 0.283 176.479 176.117 0.131 0.000 1.196 454 I CA -0.422 60.891 61.300 0.022 0.000 1.421 454 I CB 0.629 38.583 38.000 -0.077 0.000 1.365 454 I HN -0.177 nan 8.210 nan 0.000 0.591 455 K N 4.554 124.982 120.400 0.046 0.000 2.298 455 K HA 0.313 4.633 4.320 -0.000 0.000 0.280 455 K C -1.338 175.327 176.600 0.108 0.000 1.032 455 K CA -0.333 56.008 56.287 0.091 0.000 0.958 455 K CB 0.551 33.046 32.500 -0.008 0.000 0.978 455 K HN 0.508 nan 8.250 nan 0.000 0.472 456 F N 2.534 122.437 119.950 -0.078 0.000 2.470 456 F HA 0.261 4.788 4.527 -0.000 0.000 0.329 456 F C 0.576 176.319 175.800 -0.095 0.000 1.072 456 F CA -0.749 57.207 58.000 -0.073 0.000 0.989 456 F CB 1.343 40.316 39.000 -0.045 0.000 1.193 456 F HN 0.677 nan 8.300 nan 0.000 0.481 457 N N 0.248 118.949 118.700 0.001 0.000 2.566 457 N HA 0.321 5.061 4.740 -0.000 0.000 0.299 457 N C 0.752 176.225 175.510 -0.061 0.000 1.277 457 N CA -0.712 52.261 53.050 -0.127 0.000 0.965 457 N CB 0.390 38.657 38.487 -0.368 0.000 1.142 457 N HN 0.521 nan 8.380 nan 0.000 0.596 458 R N -1.338 119.058 120.500 -0.174 0.000 2.193 458 R HA -0.008 4.332 4.340 -0.000 0.000 0.229 458 R C 0.357 176.733 176.300 0.127 0.000 1.110 458 R CA 1.207 57.274 56.100 -0.054 0.000 0.988 458 R CB -0.112 30.122 30.300 -0.111 0.000 0.871 458 R HN 0.655 nan 8.270 nan 0.000 0.458 459 W N 0.681 122.002 121.300 0.036 0.000 3.180 459 W HA 0.150 4.810 4.660 -0.000 0.000 0.254 459 W C -0.064 176.496 176.519 0.067 0.000 1.318 459 W CA -0.274 57.093 57.345 0.036 0.000 1.608 459 W CB -0.223 29.246 29.460 0.015 0.000 1.124 459 W HN 0.113 nan 8.180 nan 0.000 0.694 460 D N -0.015 120.557 120.400 0.288 0.000 2.907 460 D HA -0.166 4.474 4.640 -0.000 0.000 0.226 460 D C -0.473 176.084 176.300 0.428 0.000 1.141 460 D CA 0.894 55.081 54.000 0.312 0.000 0.779 460 D CB -1.483 39.442 40.800 0.209 0.000 1.095 460 D HN 0.129 nan 8.370 nan 0.000 0.430 461 L N -0.322 121.073 121.223 0.286 0.000 2.371 461 L HA 0.544 4.884 4.340 -0.000 0.000 0.262 461 L C -2.086 174.487 176.870 -0.495 0.000 1.006 461 L CA -2.055 52.792 54.840 0.011 0.000 0.818 461 L CB 2.299 44.426 42.059 0.112 0.000 1.354 461 L HN -0.269 nan 8.230 nan 0.000 0.415 462 P HA -0.021 nan 4.420 nan 0.000 0.264 462 P C -0.946 176.072 177.300 -0.470 0.000 1.193 462 P CA -0.019 62.478 63.100 -1.005 0.000 0.763 462 P CB 0.838 32.054 31.700 -0.807 0.000 0.810 463 E N 3.291 123.263 120.200 -0.381 0.000 2.259 463 E HA 0.360 4.710 4.350 -0.000 0.000 0.281 463 E C -0.609 175.850 176.600 -0.236 0.000 1.027 463 E CA -0.594 55.650 56.400 -0.261 0.000 0.838 463 E CB 0.494 30.064 29.700 -0.216 0.000 1.066 463 E HN 0.326 nan 8.360 nan 0.000 0.401 464 V N 1.193 120.991 119.914 -0.193 0.000 3.078 464 V HA 0.492 4.612 4.120 -0.000 0.000 0.311 464 V C -0.344 175.664 176.094 -0.144 0.000 1.138 464 V CA -1.185 61.008 62.300 -0.178 0.000 1.007 464 V CB 1.953 33.690 31.823 -0.144 0.000 1.045 464 V HN 0.729 nan 8.190 nan 0.000 0.432 465 D N 4.169 124.477 120.400 -0.152 0.000 2.371 465 D HA 0.237 4.877 4.640 -0.000 0.000 0.256 465 D C -1.437 174.805 176.300 -0.096 0.000 1.193 465 D CA -1.349 52.572 54.000 -0.131 0.000 0.881 465 D CB 2.216 42.920 40.800 -0.160 0.000 1.143 465 D HN 0.532 nan 8.370 nan 0.000 0.473 466 P HA -0.162 nan 4.420 nan 0.000 0.223 466 P C 0.834 178.119 177.300 -0.025 0.000 1.144 466 P CA 0.971 64.055 63.100 -0.027 0.000 0.783 466 P CB 0.553 32.246 31.700 -0.012 0.000 0.771 467 E N 0.551 120.707 120.200 -0.074 0.000 2.127 467 E HA -0.067 4.283 4.350 -0.000 0.000 0.191 467 E C 1.923 178.383 176.600 -0.234 0.000 0.964 467 E CA 1.657 58.001 56.400 -0.094 0.000 0.832 467 E CB -0.866 28.772 29.700 -0.103 0.000 0.790 467 E HN 0.202 nan 8.360 nan 0.000 0.465 468 T N -2.449 111.874 114.554 -0.385 0.000 3.037 468 T HA 0.138 4.488 4.350 -0.000 0.000 0.252 468 T C 0.817 175.544 174.700 0.045 0.000 1.073 468 T CA 0.502 62.260 62.100 -0.569 0.000 1.091 468 T CB 0.117 68.629 68.868 -0.593 0.000 0.935 468 T HN 0.103 nan 8.240 nan 0.000 0.488 469 M N 0.016 119.633 119.600 0.028 0.000 2.899 469 M HA -0.148 4.332 4.480 -0.000 0.000 0.195 469 M C 0.016 176.342 176.300 0.044 0.000 0.603 469 M CA 0.493 55.873 55.300 0.133 0.000 0.712 469 M CB -2.844 29.955 32.600 0.332 0.000 2.569 469 M HN 0.666 nan 8.290 nan 0.000 0.406 470 Q N 1.516 121.164 119.800 -0.253 0.000 2.261 470 Q HA 0.469 4.809 4.340 -0.000 0.000 0.252 470 Q C 0.765 176.462 176.000 -0.505 0.000 0.915 470 Q CA 0.336 55.662 55.803 -0.796 0.000 0.915 470 Q CB 1.373 29.600 28.738 -0.852 0.000 1.204 470 Q HN 0.461 nan 8.270 nan 0.000 0.421 471 T N -0.627 113.601 114.554 -0.542 0.000 2.833 471 T HA 0.127 4.477 4.350 -0.000 0.000 0.292 471 T C 1.296 175.810 174.700 -0.311 0.000 1.031 471 T CA -0.010 61.867 62.100 -0.371 0.000 0.937 471 T CB 0.665 69.317 68.868 -0.361 0.000 1.256 471 T HN 0.695 nan 8.240 nan 0.000 0.551 472 S N -0.712 114.855 115.700 -0.222 0.000 2.469 472 S HA -0.031 4.439 4.470 -0.000 0.000 0.238 472 S C 0.506 175.026 174.600 -0.134 0.000 0.998 472 S CA 0.389 58.499 58.200 -0.150 0.000 0.957 472 S CB -0.469 62.674 63.200 -0.095 0.000 0.764 472 S HN 0.706 nan 8.310 nan 0.000 0.514 473 E N 2.108 122.196 120.200 -0.186 0.000 2.081 473 E HA 0.301 4.651 4.350 -0.000 0.000 0.276 473 E C -2.025 174.424 176.600 -0.252 0.000 0.950 473 E CA -2.636 53.684 56.400 -0.134 0.000 0.776 473 E CB 1.367 30.976 29.700 -0.152 0.000 1.094 473 E HN 0.084 nan 8.360 nan 0.000 0.402 474 P HA -0.197 nan 4.420 nan 0.000 0.218 474 P C 1.133 178.073 177.300 -0.602 0.000 1.154 474 P CA 1.489 64.448 63.100 -0.235 0.000 0.872 474 P CB -0.044 31.703 31.700 0.079 0.000 0.790 475 W N -1.493 119.458 121.300 -0.582 0.000 3.256 475 W HA 0.296 4.956 4.660 -0.000 0.000 0.269 475 W C -0.877 175.572 176.519 -0.117 0.000 1.310 475 W CA 0.127 57.136 57.345 -0.560 0.000 1.673 475 W CB -0.838 28.551 29.460 -0.118 0.000 1.115 475 W HN -0.287 nan 8.180 nan 0.000 0.686 476 V N 2.686 122.158 119.914 -0.736 0.000 2.448 476 V HA 0.411 4.531 4.120 -0.000 0.000 0.295 476 V C -0.857 174.977 176.094 -0.433 0.000 1.025 476 V CA -0.471 61.452 62.300 -0.630 0.000 0.859 476 V CB 0.975 32.283 31.823 -0.858 0.000 0.988 476 V HN -0.196 nan 8.190 nan 0.000 0.431 477 F N 2.202 122.000 119.950 -0.254 0.000 2.579 477 F HA 0.922 5.449 4.527 -0.000 0.000 0.324 477 F C 0.384 176.009 175.800 -0.293 0.000 1.058 477 F CA -0.762 57.160 58.000 -0.129 0.000 0.944 477 F CB 2.125 41.200 39.000 0.126 0.000 1.245 477 F HN 0.592 nan 8.300 nan 0.000 0.477 478 A N 0.308 123.057 122.820 -0.119 0.000 2.539 478 A HA 0.947 5.267 4.320 -0.000 0.000 0.296 478 A C -0.761 176.705 177.584 -0.197 0.000 1.073 478 A CA -0.201 51.566 52.037 -0.451 0.000 0.700 478 A CB 1.770 20.563 19.000 -0.345 0.000 1.296 478 A HN 1.224 nan 8.150 nan 0.000 0.405 479 G N -1.191 107.442 108.800 -0.278 0.000 2.576 479 G HA2 0.841 4.801 3.960 -0.000 0.000 0.290 479 G HA3 0.841 4.801 3.960 -0.000 0.000 0.290 479 G C 0.156 175.128 174.900 0.120 0.000 1.442 479 G CA 0.600 45.785 45.100 0.142 0.000 0.792 479 G HN 2.623 nan 8.290 nan 0.000 0.491 480 G N 0.139 109.026 108.800 0.145 0.000 2.568 480 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.222 480 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.222 480 G C 0.539 175.470 174.900 0.052 0.000 1.321 480 G CA 0.786 45.950 45.100 0.106 0.000 0.893 480 G HN 0.878 nan 8.290 nan 0.000 0.569 481 D N -0.556 119.868 120.400 0.040 0.000 2.158 481 D HA -0.076 4.564 4.640 -0.000 0.000 0.197 481 D C 2.417 178.723 176.300 0.010 0.000 0.995 481 D CA 1.460 55.473 54.000 0.021 0.000 0.846 481 D CB -0.101 40.712 40.800 0.022 0.000 0.941 481 D HN 0.478 nan 8.370 nan 0.000 0.456 482 I N -0.001 120.565 120.570 -0.006 0.000 2.423 482 I HA -0.199 3.971 4.170 -0.000 0.000 0.254 482 I C 1.773 177.870 176.117 -0.032 0.000 1.151 482 I CA 1.001 62.282 61.300 -0.031 0.000 1.421 482 I CB 0.061 38.011 38.000 -0.084 0.000 1.079 482 I HN -0.127 nan 8.210 nan 0.000 0.431 483 V N 0.808 120.713 119.914 -0.014 0.000 2.951 483 V HA 0.172 4.292 4.120 -0.000 0.000 0.255 483 V C 1.950 178.115 176.094 0.118 0.000 1.088 483 V CA 1.014 63.326 62.300 0.019 0.000 1.109 483 V CB -0.997 30.838 31.823 0.020 0.000 0.724 483 V HN 0.681 nan 8.190 nan 0.000 0.471 484 G N -0.467 108.375 108.800 0.070 0.000 2.179 484 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.260 484 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.260 484 G C 0.709 175.595 174.900 -0.022 0.000 0.977 484 G CA 0.849 45.963 45.100 0.023 0.000 0.641 484 G HN 0.389 nan 8.290 nan 0.000 0.533 485 M N 0.052 119.683 119.600 0.051 0.000 2.557 485 M HA 0.375 4.855 4.480 -0.000 0.000 0.262 485 M C 1.841 178.148 176.300 0.011 0.000 1.168 485 M CA 1.050 56.375 55.300 0.042 0.000 1.194 485 M CB -0.010 32.645 32.600 0.093 0.000 1.311 485 M HN 0.489 nan 8.290 nan 0.000 0.489 486 A N 1.481 124.316 122.820 0.025 0.000 2.498 486 A HA 0.097 4.417 4.320 -0.000 0.000 0.239 486 A C 0.194 177.778 177.584 -0.000 0.000 1.068 486 A CA 0.271 52.320 52.037 0.019 0.000 0.766 486 A CB -0.260 18.762 19.000 0.037 0.000 1.003 486 A HN 0.630 nan 8.150 nan 0.000 0.497 487 N N -0.929 117.769 118.700 -0.003 0.000 2.143 487 N HA 0.131 4.871 4.740 -0.000 0.000 0.222 487 N C -0.343 175.165 175.510 -0.005 0.000 1.264 487 N CA 0.560 53.603 53.050 -0.012 0.000 0.897 487 N CB 0.961 39.435 38.487 -0.022 0.000 1.092 487 N HN 0.832 nan 8.380 nan 0.000 0.516 488 T N -4.478 110.077 114.554 0.002 0.000 2.812 488 T HA 0.278 4.628 4.350 -0.000 0.000 0.294 488 T C 0.848 175.553 174.700 0.008 0.000 1.159 488 T CA -0.566 61.535 62.100 0.002 0.000 1.008 488 T CB 1.635 70.502 68.868 -0.003 0.000 1.289 488 T HN -0.268 nan 8.240 nan 0.000 0.514 489 T N 0.611 115.166 114.554 0.002 0.000 2.737 489 T HA -0.088 4.262 4.350 -0.000 0.000 0.265 489 T C 2.015 176.717 174.700 0.004 0.000 1.038 489 T CA 1.374 63.476 62.100 0.004 0.000 1.144 489 T CB -0.353 68.509 68.868 -0.009 0.000 0.866 489 T HN 0.500 nan 8.240 nan 0.000 0.434 490 V N 1.462 121.373 119.914 -0.006 0.000 2.407 490 V HA -0.176 3.944 4.120 -0.000 0.000 0.248 490 V C 2.299 178.401 176.094 0.013 0.000 1.055 490 V CA 1.925 64.221 62.300 -0.007 0.000 1.049 490 V CB -0.413 31.401 31.823 -0.014 0.000 0.662 490 V HN 0.536 nan 8.190 nan 0.000 0.455 491 E N -0.401 119.810 120.200 0.018 0.000 2.150 491 E HA -0.137 4.213 4.350 -0.000 0.000 0.193 491 E C 2.352 178.980 176.600 0.047 0.000 0.985 491 E CA 1.353 57.771 56.400 0.030 0.000 0.814 491 E CB -0.122 29.593 29.700 0.026 0.000 0.752 491 E HN 0.592 nan 8.360 nan 0.000 0.466 492 S N 0.315 116.045 115.700 0.050 0.000 2.387 492 S HA -0.095 4.375 4.470 -0.000 0.000 0.226 492 S C 2.177 176.828 174.600 0.085 0.000 1.026 492 S CA 0.616 58.862 58.200 0.077 0.000 0.972 492 S CB 0.011 63.253 63.200 0.071 0.000 0.814 492 S HN 0.058 nan 8.310 nan 0.000 0.477 493 V N 2.611 122.560 119.914 0.058 0.000 2.343 493 V HA -0.171 3.949 4.120 -0.000 0.000 0.247 493 V C 2.273 178.407 176.094 0.066 0.000 1.051 493 V CA 1.885 64.222 62.300 0.061 0.000 1.036 493 V CB -0.863 30.982 31.823 0.036 0.000 0.654 493 V HN 0.446 nan 8.190 nan 0.000 0.451 494 N N 0.374 119.102 118.700 0.047 0.000 2.120 494 N HA -0.177 4.563 4.740 -0.000 0.000 0.188 494 N C 1.492 177.023 175.510 0.035 0.000 1.024 494 N CA 1.540 54.605 53.050 0.024 0.000 0.852 494 N CB -0.232 38.269 38.487 0.024 0.000 1.003 494 N HN 0.413 nan 8.380 nan 0.000 0.424 495 D N -0.755 119.693 120.400 0.079 0.000 2.104 495 D HA -0.096 4.544 4.640 -0.000 0.000 0.194 495 D C 1.825 178.204 176.300 0.131 0.000 0.994 495 D CA 1.492 55.573 54.000 0.134 0.000 0.830 495 D CB -0.886 40.025 40.800 0.184 0.000 0.959 495 D HN 0.461 nan 8.370 nan 0.000 0.452 496 G N 0.425 109.261 108.800 0.061 0.000 2.408 496 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.217 496 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.217 496 G C 1.533 176.349 174.900 -0.140 0.000 1.150 496 G CA 0.877 45.861 45.100 -0.193 0.000 0.776 496 G HN 0.277 nan 8.290 nan 0.000 0.542 497 K N -0.203 120.150 120.400 -0.078 0.000 2.025 497 K HA -0.130 4.190 4.320 -0.000 0.000 0.207 497 K C 2.521 178.989 176.600 -0.220 0.000 1.049 497 K CA 1.604 57.703 56.287 -0.312 0.000 0.933 497 K CB -0.155 32.104 32.500 -0.401 0.000 0.714 497 K HN 0.273 nan 8.250 nan 0.000 0.438 498 Q N 0.530 120.300 119.800 -0.051 0.000 2.050 498 Q HA -0.106 4.234 4.340 -0.000 0.000 0.202 498 Q C 1.785 177.932 176.000 0.246 0.000 0.980 498 Q CA 2.198 58.063 55.803 0.104 0.000 0.840 498 Q CB -0.410 28.410 28.738 0.137 0.000 0.898 498 Q HN 0.420 nan 8.270 nan 0.000 0.424 499 A N -0.159 122.770 122.820 0.182 0.000 1.933 499 A HA -0.191 4.129 4.320 -0.000 0.000 0.218 499 A C 2.248 179.823 177.584 -0.015 0.000 1.175 499 A CA 2.030 54.186 52.037 0.199 0.000 0.628 499 A CB -1.110 18.040 19.000 0.251 0.000 0.814 499 A HN 0.610 nan 8.150 nan 0.000 0.444 500 S N -1.244 114.414 115.700 -0.069 0.000 2.374 500 S HA -0.263 4.207 4.470 -0.000 0.000 0.227 500 S C 1.936 176.544 174.600 0.014 0.000 1.037 500 S CA 1.360 59.518 58.200 -0.069 0.000 1.024 500 S CB -0.937 62.278 63.200 0.025 0.000 0.861 500 S HN 0.769 nan 8.310 nan 0.000 0.456 501 W N 1.294 122.532 121.300 -0.103 0.000 2.379 501 W HA -0.157 4.503 4.660 -0.000 0.000 0.307 501 W C 1.608 178.030 176.519 -0.161 0.000 1.200 501 W CA 1.216 58.479 57.345 -0.138 0.000 1.297 501 W CB -0.381 28.897 29.460 -0.303 0.000 1.140 501 W HN 0.392 nan 8.180 nan 0.000 0.507 502 Y N 0.395 120.695 120.300 -0.001 0.000 2.439 502 Y HA -0.105 4.445 4.550 -0.000 0.000 0.292 502 Y C 2.480 178.288 175.900 -0.153 0.000 1.130 502 Y CA 1.245 59.339 58.100 -0.010 0.000 1.254 502 Y CB -0.663 37.990 38.460 0.321 0.000 1.000 502 Y HN -0.152 nan 8.280 nan 0.000 0.554 503 I N -0.833 119.490 120.570 -0.411 0.000 2.315 503 I HA -0.301 3.869 4.170 -0.000 0.000 0.248 503 I C 2.475 178.481 176.117 -0.185 0.000 1.117 503 I CA 1.483 62.420 61.300 -0.604 0.000 1.404 503 I CB -0.296 37.289 38.000 -0.693 0.000 1.071 503 I HN 0.268 nan 8.210 nan 0.000 0.419 504 H N 1.583 120.466 119.070 -0.312 0.000 2.321 504 H HA -0.222 4.334 4.556 -0.000 0.000 0.300 504 H C 2.204 177.377 175.328 -0.259 0.000 1.087 504 H CA 2.089 57.993 56.048 -0.239 0.000 1.319 504 H CB -0.082 29.518 29.762 -0.269 0.000 1.379 504 H HN 0.105 nan 8.280 nan 0.000 0.501 505 K N -1.029 119.036 120.400 -0.559 0.000 2.026 505 K HA -0.232 4.088 4.320 -0.000 0.000 0.208 505 K C 2.219 178.720 176.600 -0.164 0.000 1.048 505 K CA 1.579 57.577 56.287 -0.482 0.000 0.929 505 K CB -0.478 31.799 32.500 -0.373 0.000 0.713 505 K HN 0.390 nan 8.250 nan 0.000 0.439 506 Y N 1.509 121.777 120.300 -0.054 0.000 2.114 506 Y HA -0.219 4.331 4.550 -0.000 0.000 0.284 506 Y C 1.819 177.749 175.900 0.050 0.000 1.143 506 Y CA 1.833 59.985 58.100 0.087 0.000 1.135 506 Y CB -0.273 38.357 38.460 0.283 0.000 0.980 506 Y HN 0.017 nan 8.280 nan 0.000 0.499 507 I N 0.163 120.712 120.570 -0.035 0.000 2.127 507 I HA -0.373 3.797 4.170 -0.000 0.000 0.241 507 I C 2.468 178.532 176.117 -0.089 0.000 1.075 507 I CA 1.495 62.762 61.300 -0.055 0.000 1.334 507 I CB -0.599 37.412 38.000 0.018 0.000 1.040 507 I HN 0.337 nan 8.210 nan 0.000 0.405 508 Q N 0.611 120.290 119.800 -0.203 0.000 2.096 508 Q HA -0.213 4.127 4.340 -0.000 0.000 0.204 508 Q C 2.438 178.364 176.000 -0.123 0.000 0.982 508 Q CA 1.992 57.658 55.803 -0.229 0.000 0.850 508 Q CB -0.568 27.937 28.738 -0.388 0.000 0.901 508 Q HN 0.605 nan 8.270 nan 0.000 0.422 509 A N 1.003 123.721 122.820 -0.170 0.000 1.933 509 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 509 A C 2.033 179.530 177.584 -0.145 0.000 1.175 509 A CA 1.220 53.174 52.037 -0.140 0.000 0.628 509 A CB -0.337 18.578 19.000 -0.141 0.000 0.814 509 A HN 0.246 nan 8.150 nan 0.000 0.444 510 Q N -1.516 118.150 119.800 -0.223 0.000 2.291 510 Q HA -0.131 4.209 4.340 -0.000 0.000 0.206 510 Q C 0.482 176.372 176.000 -0.183 0.000 0.976 510 Q CA 1.152 56.815 55.803 -0.233 0.000 0.875 510 Q CB -0.262 28.294 28.738 -0.302 0.000 0.927 510 Q HN 0.873 nan 8.270 nan 0.000 0.450 511 Y N -0.740 119.467 120.300 -0.156 0.000 2.571 511 Y HA 0.294 4.844 4.550 -0.000 0.000 0.275 511 Y C 1.339 177.185 175.900 -0.090 0.000 1.179 511 Y CA 0.191 58.227 58.100 -0.108 0.000 1.242 511 Y CB 0.516 38.913 38.460 -0.105 0.000 1.126 511 Y HN 0.188 nan 8.280 nan 0.000 0.524 512 G N 0.233 109.039 108.800 0.009 0.000 2.153 512 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.252 512 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.252 512 G C 0.167 175.067 174.900 -0.001 0.000 0.994 512 G CA 0.194 45.290 45.100 -0.007 0.000 0.698 512 G HN 0.649 nan 8.290 nan 0.000 0.521 513 A N -0.527 122.287 122.820 -0.010 0.000 2.356 513 A HA 0.963 5.283 4.320 -0.000 0.000 0.323 513 A C 0.393 177.943 177.584 -0.057 0.000 1.119 513 A CA 0.599 52.620 52.037 -0.026 0.000 0.790 513 A CB 1.491 20.471 19.000 -0.034 0.000 1.273 513 A HN 1.807 nan 8.150 nan 0.000 0.452 514 S N -0.221 115.456 115.700 -0.038 0.000 2.747 514 S HA 0.833 5.303 4.470 -0.000 0.000 0.300 514 S C -0.053 174.519 174.600 -0.046 0.000 1.121 514 S CA 0.012 58.187 58.200 -0.041 0.000 0.995 514 S CB 1.133 64.334 63.200 0.000 0.000 1.113 514 S HN 2.022 nan 8.310 nan 0.000 0.547 515 V N -1.411 118.481 119.914 -0.038 0.000 3.001 515 V HA 0.821 4.941 4.120 -0.000 0.000 0.314 515 V C 0.099 176.285 176.094 0.153 0.000 1.099 515 V CA -0.791 61.521 62.300 0.019 0.000 0.989 515 V CB 1.133 32.847 31.823 -0.182 0.000 1.040 515 V HN 1.278 nan 8.190 nan 0.000 0.434 516 S N 1.783 117.638 115.700 0.258 0.000 2.561 516 S HA 0.301 4.771 4.470 -0.000 0.000 0.294 516 S C 1.349 176.110 174.600 0.269 0.000 1.294 516 S CA 0.183 58.527 58.200 0.240 0.000 1.055 516 S CB 0.810 64.153 63.200 0.239 0.000 0.819 516 S HN 2.011 nan 8.310 nan 0.000 0.503 517 A N 2.356 125.277 122.820 0.168 0.000 1.969 517 A HA 0.012 4.332 4.320 -0.000 0.000 0.218 517 A C 1.168 178.826 177.584 0.122 0.000 1.169 517 A CA 1.159 53.286 52.037 0.151 0.000 0.635 517 A CB -0.344 18.715 19.000 0.099 0.000 0.810 517 A HN 0.851 nan 8.150 nan 0.000 0.445 518 K N 0.875 121.313 120.400 0.064 0.000 2.227 518 K HA 0.357 4.677 4.320 -0.000 0.000 0.280 518 K C -2.904 173.562 176.600 -0.224 0.000 1.041 518 K CA -2.450 53.804 56.287 -0.054 0.000 0.905 518 K CB 0.786 33.259 32.500 -0.044 0.000 1.068 518 K HN -0.032 nan 8.250 nan 0.000 0.470 519 P HA -0.063 nan 4.420 nan 0.000 0.262 519 P C -1.252 175.488 177.300 -0.933 0.000 1.182 519 P CA 0.477 62.732 63.100 -1.408 0.000 0.761 519 P CB 0.396 31.357 31.700 -1.232 0.000 0.795 520 E N 2.920 122.504 120.200 -1.027 0.000 3.786 520 E HA 0.185 4.535 4.350 -0.000 0.000 0.215 520 E C -0.410 176.167 176.600 -0.039 0.000 1.188 520 E CA -0.314 55.925 56.400 -0.269 0.000 1.248 520 E CB 0.289 29.996 29.700 0.012 0.000 1.260 520 E HN 0.387 nan 8.360 nan 0.000 0.426 521 L N 2.455 123.614 121.223 -0.105 0.000 2.410 521 L HA 0.226 4.566 4.340 -0.000 0.000 0.273 521 L C -1.916 175.055 176.870 0.169 0.000 1.144 521 L CA -1.629 53.276 54.840 0.110 0.000 0.863 521 L CB -0.114 41.939 42.059 -0.009 0.000 1.140 521 L HN 0.015 nan 8.230 nan 0.000 0.463 522 P HA 0.153 nan 4.420 nan 0.000 0.270 522 P C -0.239 177.220 177.300 0.266 0.000 1.223 522 P CA -0.308 62.941 63.100 0.249 0.000 0.785 522 P CB 0.625 32.466 31.700 0.235 0.000 0.923 523 L N 0.519 121.874 121.223 0.219 0.000 2.543 523 L HA 0.374 4.714 4.340 -0.000 0.000 0.231 523 L C 0.582 177.424 176.870 -0.048 0.000 1.194 523 L CA -0.654 54.197 54.840 0.018 0.000 0.823 523 L CB -0.004 41.922 42.059 -0.221 0.000 1.374 523 L HN 0.277 nan 8.230 nan 0.000 0.507 524 F N 0.127 119.877 119.950 -0.334 0.000 2.404 524 F HA 0.425 4.952 4.527 -0.000 0.000 0.345 524 F C -0.820 174.699 175.800 -0.468 0.000 1.110 524 F CA -0.341 57.500 58.000 -0.265 0.000 1.130 524 F CB 0.382 39.267 39.000 -0.191 0.000 1.129 524 F HN 0.035 nan 8.300 nan 0.000 0.500 525 Y N 2.503 122.438 120.300 -0.608 0.000 2.536 525 Y HA 0.609 5.159 4.550 -0.000 0.000 0.347 525 Y C 0.229 175.800 175.900 -0.549 0.000 1.000 525 Y CA -0.761 57.092 58.100 -0.412 0.000 1.051 525 Y CB 2.224 40.554 38.460 -0.217 0.000 1.259 525 Y HN 0.673 nan 8.280 nan 0.000 0.468 526 T N -2.426 112.077 114.554 -0.084 0.000 2.812 526 T HA 0.406 4.756 4.350 -0.000 0.000 0.294 526 T C -2.649 172.011 174.700 -0.067 0.000 1.159 526 T CA -2.415 59.638 62.100 -0.079 0.000 1.008 526 T CB 1.929 70.845 68.868 0.080 0.000 1.289 526 T HN 0.196 nan 8.240 nan 0.000 0.514 527 P HA -0.008 nan 4.420 nan 0.000 0.221 527 P C 1.690 178.844 177.300 -0.243 0.000 1.145 527 P CA 0.430 63.455 63.100 -0.124 0.000 0.795 527 P CB -0.138 31.535 31.700 -0.045 0.000 0.775 528 V N 0.570 120.176 119.914 -0.513 0.000 2.392 528 V HA -0.250 3.870 4.120 -0.000 0.000 0.249 528 V C 1.714 177.684 176.094 -0.207 0.000 1.059 528 V CA 2.090 64.024 62.300 -0.610 0.000 1.051 528 V CB -1.216 29.980 31.823 -1.045 0.000 0.658 528 V HN 0.162 nan 8.190 nan 0.000 0.455 529 D N 0.018 120.388 120.400 -0.051 0.000 2.309 529 D HA -0.080 4.560 4.640 -0.000 0.000 0.212 529 D C 1.823 178.156 176.300 0.054 0.000 0.968 529 D CA 0.933 54.980 54.000 0.079 0.000 0.882 529 D CB -0.067 40.855 40.800 0.204 0.000 0.918 529 D HN 0.401 nan 8.370 nan 0.000 0.503 530 L N 0.252 121.484 121.223 0.015 0.000 2.558 530 L HA 0.059 4.399 4.340 -0.000 0.000 0.225 530 L C 0.545 177.437 176.870 0.035 0.000 1.128 530 L CA -0.091 54.761 54.840 0.021 0.000 0.868 530 L CB 0.241 42.306 42.059 0.010 0.000 1.006 530 L HN -0.221 nan 8.230 nan 0.000 0.454 531 V N 1.253 121.191 119.914 0.040 0.000 2.599 531 V HA -0.106 4.014 4.120 -0.000 0.000 0.300 531 V C 0.399 176.527 176.094 0.056 0.000 1.034 531 V CA 0.169 62.504 62.300 0.059 0.000 1.115 531 V CB 0.564 32.429 31.823 0.070 0.000 0.934 531 V HN 0.146 nan 8.190 nan 0.000 0.485 532 D N 5.369 125.799 120.400 0.051 0.000 2.325 532 D HA 0.200 4.840 4.640 -0.000 0.000 0.251 532 D C 0.547 176.877 176.300 0.050 0.000 1.196 532 D CA -0.303 53.726 54.000 0.048 0.000 0.866 532 D CB 1.063 41.886 40.800 0.037 0.000 1.101 532 D HN 0.615 nan 8.370 nan 0.000 0.476 533 I N 1.006 121.612 120.570 0.061 0.000 3.762 533 I HA 0.191 4.361 4.170 -0.000 0.000 0.333 533 I C 0.354 176.502 176.117 0.051 0.000 1.566 533 I CA -0.742 60.592 61.300 0.057 0.000 1.129 533 I CB 0.144 38.198 38.000 0.090 0.000 1.218 533 I HN 0.051 nan 8.210 nan 0.000 0.456 534 S N 0.789 116.523 115.700 0.056 0.000 2.632 534 S HA 0.703 5.173 4.470 -0.000 0.000 0.267 534 S C -0.271 174.359 174.600 0.051 0.000 1.276 534 S CA -0.490 57.754 58.200 0.072 0.000 0.998 534 S CB 2.508 65.750 63.200 0.071 0.000 0.953 534 S HN 0.294 nan 8.310 nan 0.000 0.547 535 V N 0.261 120.224 119.914 0.082 0.000 3.077 535 V HA 0.493 4.613 4.120 -0.000 0.000 0.299 535 V C -1.726 174.447 176.094 0.131 0.000 1.276 535 V CA -0.656 61.672 62.300 0.047 0.000 0.993 535 V CB 2.194 33.986 31.823 -0.053 0.000 1.076 535 V HN 1.088 nan 8.190 nan 0.000 0.434 536 E N 4.983 125.234 120.200 0.085 0.000 2.195 536 E HA 0.676 5.026 4.350 -0.000 0.000 0.271 536 E C -0.919 175.732 176.600 0.085 0.000 0.923 536 E CA -0.668 55.806 56.400 0.125 0.000 0.790 536 E CB 2.290 32.031 29.700 0.068 0.000 1.155 536 E HN 0.672 nan 8.360 nan 0.000 0.402 537 M N 1.547 121.238 119.600 0.152 0.000 2.294 537 M HA 0.379 4.859 4.480 -0.000 0.000 0.280 537 M C -1.237 175.147 176.300 0.140 0.000 1.085 537 M CA -0.066 55.275 55.300 0.069 0.000 0.969 537 M CB 1.719 34.267 32.600 -0.087 0.000 1.770 537 M HN 0.714 nan 8.290 nan 0.000 0.485 538 A N 2.878 125.753 122.820 0.091 0.000 2.783 538 A HA -0.020 4.300 4.320 -0.000 0.000 0.292 538 A C 1.196 178.837 177.584 0.096 0.000 1.495 538 A CA 1.766 53.875 52.037 0.119 0.000 0.787 538 A CB -2.619 16.539 19.000 0.263 0.000 1.017 538 A HN 2.550 nan 8.150 nan 0.000 0.516 539 G N -3.136 105.705 108.800 0.070 0.000 2.179 539 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.260 539 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.260 539 G C 0.117 175.035 174.900 0.030 0.000 0.977 539 G CA 0.622 45.748 45.100 0.043 0.000 0.641 539 G HN 1.464 nan 8.290 nan 0.000 0.533 540 L N -0.014 121.242 121.223 0.056 0.000 2.334 540 L HA 0.590 4.930 4.340 -0.000 0.000 0.275 540 L C 0.345 177.182 176.870 -0.056 0.000 1.036 540 L CA -0.852 53.954 54.840 -0.056 0.000 0.807 540 L CB 1.525 43.504 42.059 -0.133 0.000 1.231 540 L HN -0.003 nan 8.230 nan 0.000 0.438 541 K N 2.810 123.106 120.400 -0.173 0.000 2.265 541 K HA 0.511 4.831 4.320 -0.000 0.000 0.267 541 K C -1.383 175.100 176.600 -0.195 0.000 0.994 541 K CA -0.296 55.949 56.287 -0.069 0.000 0.860 541 K CB 1.235 33.712 32.500 -0.040 0.000 1.099 541 K HN 0.182 nan 8.250 nan 0.000 0.448 542 F N 3.262 123.202 119.950 -0.016 0.000 2.427 542 F HA 0.260 4.787 4.527 -0.000 0.000 0.346 542 F C 1.626 177.447 175.800 0.035 0.000 1.120 542 F CA -1.149 56.860 58.000 0.015 0.000 1.033 542 F CB 0.810 39.808 39.000 -0.003 0.000 1.126 542 F HN 0.481 nan 8.300 nan 0.000 0.462 543 I N 0.085 120.769 120.570 0.191 0.000 2.493 543 I HA -0.056 4.114 4.170 -0.000 0.000 0.254 543 I C -0.131 176.083 176.117 0.163 0.000 1.160 543 I CA 0.765 62.147 61.300 0.137 0.000 1.445 543 I CB -0.403 37.655 38.000 0.096 0.000 1.086 543 I HN 0.653 nan 8.210 nan 0.000 0.433 544 N N -0.483 118.354 118.700 0.228 0.000 2.591 544 N HA 0.364 5.104 4.740 -0.000 0.000 0.263 544 N C -2.598 173.021 175.510 0.182 0.000 1.308 544 N CA -1.684 51.483 53.050 0.195 0.000 0.837 544 N CB 1.006 39.644 38.487 0.253 0.000 1.548 544 N HN -0.286 nan 8.380 nan 0.000 0.493 545 P HA 0.120 nan 4.420 nan 0.000 0.245 545 P C -0.854 176.330 177.300 -0.193 0.000 1.212 545 P CA 0.377 63.325 63.100 -0.254 0.000 0.774 545 P CB -0.180 31.234 31.700 -0.477 0.000 0.999 546 F N 0.791 120.864 119.950 0.206 0.000 2.408 546 F HA 0.637 5.164 4.527 -0.000 0.000 0.344 546 F C 1.318 177.158 175.800 0.067 0.000 1.112 546 F CA -0.313 57.773 58.000 0.143 0.000 1.096 546 F CB 1.636 40.626 39.000 -0.016 0.000 1.129 546 F HN -0.139 nan 8.300 nan 0.000 0.486 547 G N 2.525 111.255 108.800 -0.116 0.000 2.690 547 G HA2 0.622 4.582 3.960 -0.000 0.000 0.291 547 G HA3 0.622 4.582 3.960 -0.000 0.000 0.291 547 G C -1.752 172.907 174.900 -0.402 0.000 1.403 547 G CA -1.001 43.516 45.100 -0.972 0.000 0.864 547 G HN 0.528 nan 8.290 nan 0.000 0.480 548 L N 1.378 122.290 121.223 -0.518 0.000 2.319 548 L HA 0.530 4.870 4.340 -0.000 0.000 0.280 548 L C 1.147 177.894 176.870 -0.205 0.000 1.099 548 L CA -0.625 53.944 54.840 -0.451 0.000 0.828 548 L CB 1.253 42.962 42.059 -0.582 0.000 1.150 548 L HN 0.681 nan 8.230 nan 0.000 0.442 549 A N 2.686 125.443 122.820 -0.104 0.000 2.346 549 A HA 0.199 4.519 4.320 -0.000 0.000 0.252 549 A C 0.499 178.065 177.584 -0.031 0.000 1.089 549 A CA -0.269 51.757 52.037 -0.017 0.000 0.797 549 A CB 0.563 19.562 19.000 -0.001 0.000 1.047 549 A HN 0.647 nan 8.150 nan 0.000 0.494 550 S N 0.110 115.809 115.700 -0.003 0.000 2.437 550 S HA 0.492 4.962 4.470 -0.000 0.000 0.304 550 S C 0.142 174.727 174.600 -0.026 0.000 1.167 550 S CA 0.462 58.646 58.200 -0.028 0.000 1.106 550 S CB -1.215 61.972 63.200 -0.021 0.000 1.099 550 S HN 1.873 nan 8.310 nan 0.000 0.524 551 A N 4.109 126.910 122.820 -0.031 0.000 2.573 551 A HA 0.796 5.116 4.320 -0.000 0.000 0.310 551 A C 0.902 178.476 177.584 -0.016 0.000 1.142 551 A CA -0.111 51.913 52.037 -0.022 0.000 0.620 551 A CB -0.493 18.489 19.000 -0.031 0.000 1.382 551 A HN 1.188 nan 8.150 nan 0.000 0.545 552 A N -0.487 122.312 122.820 -0.034 0.000 1.948 552 A HA 0.054 4.374 4.320 -0.000 0.000 0.220 552 A C -0.549 177.018 177.584 -0.028 0.000 1.177 552 A CA 2.576 54.591 52.037 -0.037 0.000 0.636 552 A CB -1.749 17.198 19.000 -0.089 0.000 0.815 552 A HN 0.471 nan 8.150 nan 0.000 0.449 553 P HA -0.045 nan 4.420 nan 0.000 0.228 553 P C 0.727 178.073 177.300 0.077 0.000 1.151 553 P CA 1.676 64.778 63.100 0.003 0.000 0.770 553 P CB -0.030 31.666 31.700 -0.005 0.000 0.786 554 T N -6.609 107.968 114.554 0.038 0.000 3.293 554 T HA 0.181 4.531 4.350 -0.000 0.000 0.276 554 T C 1.102 175.934 174.700 0.221 0.000 1.003 554 T CA -0.229 61.918 62.100 0.078 0.000 0.916 554 T CB -0.937 67.922 68.868 -0.015 0.000 1.134 554 T HN -0.155 nan 8.240 nan 0.000 0.530 555 T N 2.065 116.729 114.554 0.184 0.000 2.788 555 T HA 0.024 4.374 4.350 -0.000 0.000 0.268 555 T C 0.694 175.595 174.700 0.335 0.000 1.044 555 T CA 0.941 63.176 62.100 0.226 0.000 1.139 555 T CB -0.033 68.894 68.868 0.097 0.000 0.867 555 T HN 0.493 nan 8.240 nan 0.000 0.454 556 S N -0.043 115.815 115.700 0.263 0.000 2.548 556 S HA 0.356 4.826 4.470 -0.000 0.000 0.286 556 S C 1.183 175.896 174.600 0.189 0.000 1.098 556 S CA -0.664 57.642 58.200 0.176 0.000 0.930 556 S CB 2.032 65.272 63.200 0.066 0.000 1.070 556 S HN 0.376 nan 8.310 nan 0.000 0.480 557 S N 1.474 117.205 115.700 0.052 0.000 2.419 557 S HA -0.146 4.324 4.470 -0.000 0.000 0.233 557 S C 1.929 176.511 174.600 -0.030 0.000 1.016 557 S CA 1.367 59.570 58.200 0.005 0.000 0.974 557 S CB -0.663 62.391 63.200 -0.244 0.000 0.786 557 S HN 0.804 nan 8.310 nan 0.000 0.492 558 S N 2.093 117.792 115.700 -0.002 0.000 2.419 558 S HA -0.017 4.453 4.470 -0.000 0.000 0.233 558 S C 1.869 176.470 174.600 0.001 0.000 1.016 558 S CA 1.172 59.375 58.200 0.004 0.000 0.974 558 S CB -0.723 62.493 63.200 0.026 0.000 0.786 558 S HN 0.543 nan 8.310 nan 0.000 0.492 559 M N 0.790 120.406 119.600 0.027 0.000 2.200 559 M HA 0.176 4.656 4.480 -0.000 0.000 0.265 559 M C 2.113 178.300 176.300 -0.188 0.000 1.066 559 M CA 1.211 56.562 55.300 0.085 0.000 1.127 559 M CB -0.520 32.194 32.600 0.189 0.000 1.379 559 M HN 0.272 nan 8.290 nan 0.000 0.420 560 I N -0.192 120.207 120.570 -0.285 0.000 2.226 560 I HA -0.291 3.879 4.170 -0.000 0.000 0.245 560 I C 2.693 178.299 176.117 -0.851 0.000 1.100 560 I CA 1.217 62.123 61.300 -0.656 0.000 1.374 560 I CB -0.493 37.201 38.000 -0.510 0.000 1.057 560 I HN 0.322 nan 8.210 nan 0.000 0.413 561 R N 1.399 121.622 120.500 -0.462 0.000 2.083 561 R HA -0.188 4.152 4.340 -0.000 0.000 0.237 561 R C 2.450 178.565 176.300 -0.308 0.000 1.137 561 R CA 1.653 57.546 56.100 -0.345 0.000 0.951 561 R CB -0.162 30.132 30.300 -0.011 0.000 0.851 561 R HN 0.260 nan 8.270 nan 0.000 0.434 562 R N -0.219 120.165 120.500 -0.193 0.000 2.115 562 R HA -0.063 4.277 4.340 -0.000 0.000 0.230 562 R C 2.329 178.493 176.300 -0.226 0.000 1.111 562 R CA 1.181 57.233 56.100 -0.080 0.000 0.976 562 R CB -0.265 30.091 30.300 0.093 0.000 0.870 562 R HN 0.313 nan 8.270 nan 0.000 0.445 563 A N 0.821 123.235 122.820 -0.677 0.000 1.902 563 A HA -0.140 4.180 4.320 -0.000 0.000 0.217 563 A C 1.750 179.259 177.584 -0.126 0.000 1.181 563 A CA 1.122 52.647 52.037 -0.855 0.000 0.623 563 A CB -0.460 17.586 19.000 -1.589 0.000 0.818 563 A HN 0.152 nan 8.150 nan 0.000 0.443 564 F N 0.358 120.083 119.950 -0.375 0.000 2.234 564 F HA -0.049 4.478 4.527 -0.000 0.000 0.299 564 F C 2.325 178.011 175.800 -0.190 0.000 1.087 564 F CA 1.042 58.822 58.000 -0.366 0.000 1.340 564 F CB -0.982 37.438 39.000 -0.966 0.000 1.031 564 F HN 0.371 nan 8.300 nan 0.000 0.500 565 E N -0.204 120.022 120.200 0.042 0.000 2.150 565 E HA -0.115 4.235 4.350 -0.000 0.000 0.193 565 E C 2.322 179.015 176.600 0.155 0.000 0.985 565 E CA 0.909 57.415 56.400 0.177 0.000 0.814 565 E CB -0.205 29.603 29.700 0.180 0.000 0.752 565 E HN 0.295 nan 8.360 nan 0.000 0.466 566 A N 0.036 122.944 122.820 0.147 0.000 2.014 566 A HA 0.119 4.439 4.320 -0.000 0.000 0.218 566 A C 1.847 179.500 177.584 0.115 0.000 1.163 566 A CA 1.310 53.441 52.037 0.156 0.000 0.652 566 A CB -0.050 19.093 19.000 0.240 0.000 0.808 566 A HN 0.372 nan 8.150 nan 0.000 0.449 567 G N -3.700 105.194 108.800 0.157 0.000 2.198 567 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.156 567 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.156 567 G C -0.258 174.698 174.900 0.094 0.000 1.012 567 G CA -0.363 44.791 45.100 0.090 0.000 0.692 567 G HN 0.290 nan 8.290 nan 0.000 0.492 568 W N 1.036 122.385 121.300 0.082 0.000 2.223 568 W HA 0.471 5.131 4.660 -0.000 0.000 0.334 568 W C 1.582 178.203 176.519 0.170 0.000 1.334 568 W CA 1.093 58.510 57.345 0.120 0.000 1.246 568 W CB 0.905 30.393 29.460 0.047 0.000 1.184 568 W HN 0.194 nan 8.180 nan 0.000 0.563 569 G N 2.454 111.499 108.800 0.408 0.000 2.408 569 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.217 569 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.217 569 G C -0.123 175.085 174.900 0.515 0.000 1.150 569 G CA 0.917 46.268 45.100 0.418 0.000 0.776 569 G HN 0.529 nan 8.290 nan 0.000 0.542 570 F N -2.608 117.619 119.950 0.461 0.000 2.779 570 F HA 0.796 5.323 4.527 -0.000 0.000 0.316 570 F C -0.734 175.385 175.800 0.531 0.000 1.164 570 F CA -1.307 56.969 58.000 0.460 0.000 0.924 570 F CB 1.195 40.481 39.000 0.478 0.000 1.348 570 F HN 0.256 nan 8.300 nan 0.000 0.467 571 A N 1.597 124.746 122.820 0.548 0.000 2.604 571 A HA 0.696 5.016 4.320 -0.000 0.000 0.295 571 A C -2.364 175.375 177.584 0.259 0.000 1.067 571 A CA -0.754 51.375 52.037 0.155 0.000 0.683 571 A CB 1.725 20.636 19.000 -0.149 0.000 1.281 571 A HN 0.792 nan 8.150 nan 0.000 0.407 572 L N 2.009 123.305 121.223 0.122 0.000 2.334 572 L HA 0.593 4.933 4.340 -0.000 0.000 0.275 572 L C 1.083 177.941 176.870 -0.021 0.000 1.036 572 L CA -0.087 54.821 54.840 0.114 0.000 0.807 572 L CB 1.629 43.750 42.059 0.104 0.000 1.231 572 L HN 1.065 nan 8.230 nan 0.000 0.438 573 T N -0.138 114.367 114.554 -0.082 0.000 2.849 573 T HA 0.263 4.613 4.350 -0.000 0.000 0.284 573 T C 0.154 174.594 174.700 -0.433 0.000 1.004 573 T CA -0.729 61.135 62.100 -0.394 0.000 1.021 573 T CB 1.384 69.896 68.868 -0.593 0.000 1.013 573 T HN 0.366 nan 8.240 nan 0.000 0.527 574 K N 1.042 121.065 120.400 -0.629 0.000 2.414 574 K HA 0.183 4.503 4.320 -0.000 0.000 0.272 574 K C 0.037 176.448 176.600 -0.316 0.000 0.993 574 K CA 0.128 56.244 56.287 -0.285 0.000 0.964 574 K CB -0.198 32.276 32.500 -0.044 0.000 0.925 574 K HN 0.738 nan 8.250 nan 0.000 0.487 575 T N 5.130 119.598 114.554 -0.144 0.000 2.867 575 T HA 0.210 4.560 4.350 -0.000 0.000 0.297 575 T C -0.222 174.446 174.700 -0.054 0.000 0.989 575 T CA 0.314 62.331 62.100 -0.138 0.000 1.159 575 T CB -0.549 68.268 68.868 -0.086 0.000 0.928 575 T HN 0.429 nan 8.240 nan 0.000 0.538 576 F N 0.558 120.392 119.950 -0.194 0.000 2.618 576 F HA 0.878 5.405 4.527 -0.000 0.000 0.332 576 F C 0.125 175.893 175.800 -0.054 0.000 1.061 576 F CA -1.252 56.701 58.000 -0.079 0.000 0.974 576 F CB 1.368 40.358 39.000 -0.017 0.000 1.310 576 F HN 0.549 nan 8.300 nan 0.000 0.491 577 S N 0.773 116.593 115.700 0.201 0.000 2.794 577 S HA 0.701 5.171 4.470 -0.000 0.000 0.299 577 S C -1.000 173.668 174.600 0.114 0.000 1.179 577 S CA -1.119 57.096 58.200 0.024 0.000 0.838 577 S CB 1.100 64.268 63.200 -0.053 0.000 1.206 577 S HN 0.854 nan 8.310 nan 0.000 0.523 578 L N 1.427 122.653 121.223 0.005 0.000 2.473 578 L HA 0.241 4.581 4.340 -0.000 0.000 0.268 578 L C 0.974 177.864 176.870 0.033 0.000 1.215 578 L CA -0.385 54.468 54.840 0.023 0.000 0.823 578 L CB 0.072 42.108 42.059 -0.039 0.000 1.099 578 L HN 0.718 nan 8.230 nan 0.000 0.483 579 D N 0.449 120.871 120.400 0.038 0.000 2.158 579 D HA -0.202 4.438 4.640 -0.000 0.000 0.197 579 D C 1.881 178.188 176.300 0.013 0.000 0.995 579 D CA 1.563 55.581 54.000 0.031 0.000 0.846 579 D CB -0.005 40.809 40.800 0.024 0.000 0.941 579 D HN 0.539 nan 8.370 nan 0.000 0.456 580 K N 0.081 120.480 120.400 -0.002 0.000 2.362 580 K HA -0.076 4.244 4.320 -0.000 0.000 0.200 580 K C 0.253 176.846 176.600 -0.011 0.000 1.046 580 K CA 1.085 57.367 56.287 -0.009 0.000 0.952 580 K CB 0.203 32.692 32.500 -0.018 0.000 0.753 580 K HN 0.007 nan 8.250 nan 0.000 0.466 581 D N 1.059 121.452 120.400 -0.013 0.000 2.424 581 D HA 0.087 4.727 4.640 -0.000 0.000 0.220 581 D C -0.027 176.275 176.300 0.004 0.000 1.150 581 D CA -0.403 53.588 54.000 -0.015 0.000 0.831 581 D CB 0.041 40.814 40.800 -0.045 0.000 0.981 581 D HN 0.146 nan 8.370 nan 0.000 0.500 582 I N 2.137 122.716 120.570 0.016 0.000 2.845 582 I HA -0.130 4.040 4.170 -0.000 0.000 0.296 582 I C 0.142 176.272 176.117 0.020 0.000 1.216 582 I CA 0.069 61.385 61.300 0.027 0.000 1.438 582 I CB 0.522 38.535 38.000 0.023 0.000 1.342 582 I HN -0.141 nan 8.210 nan 0.000 0.577 583 V N 4.046 123.976 119.914 0.027 0.000 3.096 583 V HA 0.804 4.924 4.120 -0.000 0.000 0.319 583 V C -0.247 175.857 176.094 0.018 0.000 1.103 583 V CA -0.406 61.907 62.300 0.021 0.000 1.016 583 V CB 1.928 33.765 31.823 0.024 0.000 1.090 583 V HN 0.768 nan 8.190 nan 0.000 0.449 584 T N 2.801 117.363 114.554 0.013 0.000 2.949 584 T HA 0.441 4.791 4.350 -0.000 0.000 0.300 584 T C -0.466 174.239 174.700 0.009 0.000 0.988 584 T CA -0.430 61.675 62.100 0.008 0.000 0.993 584 T CB 0.755 69.625 68.868 0.003 0.000 0.984 584 T HN 0.828 nan 8.240 nan 0.000 0.442 585 N N 1.660 120.365 118.700 0.008 0.000 2.399 585 N HA 0.431 5.171 4.740 -0.000 0.000 0.250 585 N C 0.338 175.846 175.510 -0.003 0.000 1.272 585 N CA -0.265 52.789 53.050 0.007 0.000 0.928 585 N CB 1.076 39.566 38.487 0.006 0.000 1.158 585 N HN 0.533 nan 8.380 nan 0.000 0.463 586 V N -2.202 117.707 119.914 -0.009 0.000 3.177 586 V HA 0.897 5.017 4.120 -0.000 0.000 0.319 586 V C -0.078 175.996 176.094 -0.034 0.000 1.125 586 V CA -0.821 61.466 62.300 -0.021 0.000 1.029 586 V CB 1.559 33.366 31.823 -0.027 0.000 1.119 586 V HN 0.788 nan 8.190 nan 0.000 0.452 587 S N 0.200 115.875 115.700 -0.041 0.000 2.533 587 S HA 0.717 5.187 4.470 -0.000 0.000 0.271 587 S C -2.908 171.656 174.600 -0.060 0.000 1.143 587 S CA -0.973 57.195 58.200 -0.053 0.000 0.891 587 S CB 1.415 64.599 63.200 -0.026 0.000 1.105 587 S HN 1.049 nan 8.310 nan 0.000 0.468 588 P HA 0.408 nan 4.420 nan 0.000 0.272 588 P C -0.196 176.972 177.300 -0.220 0.000 1.230 588 P CA -0.538 62.456 63.100 -0.177 0.000 0.788 588 P CB 0.657 32.156 31.700 -0.334 0.000 0.949 589 R N -0.002 120.385 120.500 -0.188 0.000 2.551 589 R HA 0.416 4.756 4.340 -0.000 0.000 0.316 589 R C 0.024 176.236 176.300 -0.146 0.000 0.934 589 R CA -0.193 55.809 56.100 -0.164 0.000 1.117 589 R CB 0.098 30.346 30.300 -0.087 0.000 1.626 589 R HN 0.264 nan 8.270 nan 0.000 0.513 590 I N 2.782 123.273 120.570 -0.132 0.000 2.468 590 I HA 0.385 4.555 4.170 -0.000 0.000 0.285 590 I C -0.542 175.567 176.117 -0.013 0.000 1.039 590 I CA -1.383 59.879 61.300 -0.063 0.000 1.074 590 I CB 2.285 40.251 38.000 -0.057 0.000 1.228 590 I HN -0.048 nan 8.210 nan 0.000 0.436 591 V N 3.097 123.030 119.914 0.031 0.000 3.046 591 V HA 0.687 4.807 4.120 -0.000 0.000 0.316 591 V C -0.098 176.155 176.094 0.264 0.000 1.104 591 V CA -1.068 61.307 62.300 0.125 0.000 1.006 591 V CB 1.827 33.612 31.823 -0.064 0.000 1.058 591 V HN 0.868 nan 8.190 nan 0.000 0.440 592 R N 1.788 122.430 120.500 0.237 0.000 2.641 592 R HA 0.635 4.975 4.340 -0.000 0.000 0.269 592 R C 0.380 176.638 176.300 -0.069 0.000 1.074 592 R CA 0.134 56.234 56.100 -0.001 0.000 1.133 592 R CB 0.316 30.595 30.300 -0.035 0.000 1.029 592 R HN 1.139 nan 8.270 nan 0.000 0.488 593 G N -0.271 108.385 108.800 -0.239 0.000 2.539 593 G HA2 0.244 4.204 3.960 -0.000 0.000 0.258 593 G HA3 0.244 4.204 3.960 -0.000 0.000 0.258 593 G C 0.370 175.189 174.900 -0.135 0.000 1.202 593 G CA -0.475 44.537 45.100 -0.147 0.000 0.851 593 G HN 0.752 nan 8.290 nan 0.000 0.556 594 T N -2.699 111.808 114.554 -0.078 0.000 3.174 594 T HA 0.083 4.433 4.350 -0.000 0.000 0.269 594 T C 1.804 176.462 174.700 -0.070 0.000 1.017 594 T CA 0.541 62.594 62.100 -0.079 0.000 0.899 594 T CB 0.019 68.871 68.868 -0.027 0.000 1.077 594 T HN 0.543 nan 8.240 nan 0.000 0.552 595 T N 0.098 114.608 114.554 -0.074 0.000 3.051 595 T HA -0.017 4.333 4.350 -0.000 0.000 0.269 595 T C 1.482 176.147 174.700 -0.059 0.000 1.127 595 T CA 0.842 62.909 62.100 -0.056 0.000 1.107 595 T CB -0.460 68.379 68.868 -0.049 0.000 0.898 595 T HN 0.558 nan 8.240 nan 0.000 0.517 596 S N -0.412 115.238 115.700 -0.083 0.000 2.902 596 S HA 0.621 5.091 4.470 -0.000 0.000 0.250 596 S C 0.840 175.390 174.600 -0.083 0.000 1.046 596 S CA -0.285 57.871 58.200 -0.074 0.000 1.069 596 S CB 0.009 63.164 63.200 -0.075 0.000 0.967 596 S HN 1.178 nan 8.310 nan 0.000 0.530 597 G N 2.833 111.582 108.800 -0.085 0.000 2.725 597 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.220 597 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.220 597 G C -2.788 172.031 174.900 -0.136 0.000 1.357 597 G CA -0.486 44.565 45.100 -0.081 0.000 0.866 597 G HN 0.336 nan 8.290 nan 0.000 0.548 598 P HA 0.274 nan 4.420 nan 0.000 0.225 598 P C -0.352 176.906 177.300 -0.071 0.000 1.768 598 P CA 0.218 63.271 63.100 -0.078 0.000 0.943 598 P CB -0.083 31.691 31.700 0.123 0.000 1.936 599 M N 1.993 121.440 119.600 -0.256 0.000 2.101 599 M HA 0.326 4.806 4.480 -0.000 0.000 0.340 599 M C -0.369 175.764 176.300 -0.278 0.000 1.057 599 M CA -0.860 54.366 55.300 -0.123 0.000 0.984 599 M CB 0.798 33.343 32.600 -0.092 0.000 1.560 599 M HN 0.022 nan 8.290 nan 0.000 0.435 600 Y N 0.403 120.690 120.300 -0.023 0.000 2.534 600 Y HA 0.781 5.331 4.550 -0.000 0.000 0.329 600 Y C 1.213 177.108 175.900 -0.009 0.000 1.154 600 Y CA 0.287 58.378 58.100 -0.016 0.000 1.192 600 Y CB 1.377 39.829 38.460 -0.013 0.000 1.275 600 Y HN 0.933 nan 8.280 nan 0.000 0.491 601 G N 0.700 109.593 108.800 0.155 0.000 2.513 601 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.227 601 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.227 601 G C -2.728 172.207 174.900 0.059 0.000 1.176 601 G CA -0.818 44.340 45.100 0.097 0.000 0.967 601 G HN 0.607 nan 8.290 nan 0.000 0.587 602 P HA 0.381 nan 4.420 nan 0.000 0.269 602 P C 0.822 178.135 177.300 0.022 0.000 1.215 602 P CA 1.901 65.024 63.100 0.039 0.000 0.780 602 P CB 0.398 32.115 31.700 0.027 0.000 0.898 603 G N 0.972 109.793 108.800 0.034 0.000 2.295 603 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.287 603 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.287 603 G C 0.149 175.023 174.900 -0.044 0.000 1.055 603 G CA -0.333 44.776 45.100 0.016 0.000 0.922 603 G HN 0.602 nan 8.290 nan 0.000 0.503 604 Q N 0.202 119.941 119.800 -0.102 0.000 2.286 604 Q HA 0.234 4.574 4.340 -0.000 0.000 0.290 604 Q C 1.851 177.704 176.000 -0.244 0.000 1.049 604 Q CA 0.777 56.419 55.803 -0.268 0.000 0.923 604 Q CB 0.915 29.308 28.738 -0.575 0.000 1.183 604 Q HN 0.762 nan 8.270 nan 0.000 0.383 605 S N 0.455 116.033 115.700 -0.203 0.000 2.555 605 S HA 0.020 4.490 4.470 -0.000 0.000 0.230 605 S C 0.650 175.171 174.600 -0.130 0.000 0.978 605 S CA 0.432 58.558 58.200 -0.123 0.000 0.934 605 S CB 0.016 63.163 63.200 -0.088 0.000 0.766 605 S HN 0.650 nan 8.310 nan 0.000 0.533 606 S N -1.078 114.459 115.700 -0.272 0.000 2.656 606 S HA 0.699 5.169 4.470 -0.000 0.000 0.265 606 S C -1.626 172.708 174.600 -0.444 0.000 1.110 606 S CA -1.177 56.904 58.200 -0.198 0.000 0.821 606 S CB 0.103 63.262 63.200 -0.068 0.000 1.099 606 S HN 0.189 nan 8.310 nan 0.000 0.471 607 F N -0.038 119.922 119.950 0.017 0.000 2.626 607 F HA 0.803 5.330 4.527 -0.000 0.000 0.311 607 F C -0.743 175.060 175.800 0.004 0.000 1.088 607 F CA -0.869 57.138 58.000 0.012 0.000 0.949 607 F CB 2.083 41.091 39.000 0.013 0.000 1.322 607 F HN 0.789 nan 8.300 nan 0.000 0.461 608 L N 2.691 124.027 121.223 0.189 0.000 2.386 608 L HA 0.668 5.008 4.340 -0.000 0.000 0.271 608 L C -1.537 175.348 176.870 0.025 0.000 0.993 608 L CA -0.355 54.530 54.840 0.075 0.000 0.819 608 L CB 1.899 43.970 42.059 0.019 0.000 1.294 608 L HN 0.856 nan 8.230 nan 0.000 0.414 609 N N 3.491 122.177 118.700 -0.023 0.000 2.284 609 N HA 0.514 5.254 4.740 -0.000 0.000 0.289 609 N C -0.672 174.701 175.510 -0.227 0.000 1.179 609 N CA -0.874 52.136 53.050 -0.066 0.000 0.774 609 N CB 1.707 40.203 38.487 0.014 0.000 1.548 609 N HN 0.613 nan 8.380 nan 0.000 0.473 610 I N -2.893 117.550 120.570 -0.212 0.000 3.424 610 I HA 0.435 4.604 4.170 -0.000 0.000 0.339 610 I C -0.129 176.038 176.117 0.084 0.000 1.549 610 I CA -0.618 60.489 61.300 -0.321 0.000 1.049 610 I CB 0.146 37.988 38.000 -0.263 0.000 1.439 610 I HN 0.560 nan 8.210 nan 0.000 0.500 611 E N 1.786 122.108 120.200 0.203 0.000 2.349 611 E HA 0.504 4.854 4.350 -0.000 0.000 0.265 611 E C -0.545 176.160 176.600 0.175 0.000 1.064 611 E CA -0.505 55.981 56.400 0.144 0.000 0.886 611 E CB 1.395 31.141 29.700 0.077 0.000 1.036 611 E HN 0.462 nan 8.360 nan 0.000 0.413 612 L N 3.333 124.603 121.223 0.079 0.000 2.970 612 L HA 0.444 4.784 4.340 -0.000 0.000 0.214 612 L C 1.019 177.897 176.870 0.014 0.000 1.317 612 L CA -1.044 53.810 54.840 0.024 0.000 1.187 612 L CB 0.059 42.134 42.059 0.026 0.000 2.155 612 L HN 0.622 nan 8.230 nan 0.000 0.554 613 I N -2.472 118.101 120.570 0.006 0.000 3.394 613 I HA 0.204 4.373 4.170 -0.000 0.000 0.264 613 I C 0.756 176.910 176.117 0.063 0.000 1.184 613 I CA -0.420 60.891 61.300 0.019 0.000 0.890 613 I CB 0.581 38.584 38.000 0.006 0.000 1.619 613 I HN 0.412 nan 8.210 nan 0.000 0.820 614 S N 0.010 115.774 115.700 0.107 0.000 2.558 614 S HA 0.007 4.477 4.470 -0.000 0.000 0.288 614 S C 0.723 175.424 174.600 0.169 0.000 1.318 614 S CA -0.047 58.272 58.200 0.199 0.000 1.056 614 S CB 0.182 63.620 63.200 0.395 0.000 0.853 614 S HN 0.699 nan 8.310 nan 0.000 0.505 615 E N 2.189 122.462 120.200 0.122 0.000 2.474 615 E HA 0.074 4.424 4.350 -0.000 0.000 0.194 615 E C 0.040 176.658 176.600 0.029 0.000 1.041 615 E CA 0.279 56.713 56.400 0.056 0.000 0.874 615 E CB 0.294 30.001 29.700 0.011 0.000 0.914 615 E HN 0.536 nan 8.360 nan 0.000 0.498 616 K N 1.602 122.040 120.400 0.062 0.000 2.144 616 K HA 0.127 4.447 4.320 -0.000 0.000 0.270 616 K C 0.342 177.002 176.600 0.099 0.000 1.005 616 K CA -0.246 55.977 56.287 -0.107 0.000 0.932 616 K CB 1.194 33.373 32.500 -0.535 0.000 1.021 616 K HN -0.016 nan 8.250 nan 0.000 0.462 617 T N -1.414 113.147 114.554 0.013 0.000 2.813 617 T HA 0.152 4.502 4.350 -0.000 0.000 0.297 617 T C 1.336 176.128 174.700 0.153 0.000 1.036 617 T CA -0.269 61.893 62.100 0.104 0.000 1.044 617 T CB 1.279 70.173 68.868 0.044 0.000 0.993 617 T HN 0.580 nan 8.240 nan 0.000 0.535 618 A N 1.346 124.264 122.820 0.163 0.000 1.972 618 A HA 0.194 4.514 4.320 -0.000 0.000 0.219 618 A C 2.629 180.201 177.584 -0.020 0.000 1.169 618 A CA 1.678 53.768 52.037 0.089 0.000 0.635 618 A CB -1.472 17.697 19.000 0.282 0.000 0.810 618 A HN 1.234 nan 8.150 nan 0.000 0.446 619 A N -1.218 121.616 122.820 0.024 0.000 1.898 619 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 619 A C 2.127 179.682 177.584 -0.049 0.000 1.181 619 A CA 1.600 53.635 52.037 -0.003 0.000 0.620 619 A CB -0.825 18.181 19.000 0.011 0.000 0.819 619 A HN 0.791 nan 8.150 nan 0.000 0.442 620 Y N -1.181 118.998 120.300 -0.203 0.000 2.145 620 Y HA -0.257 4.293 4.550 -0.000 0.000 0.286 620 Y C 2.144 177.796 175.900 -0.414 0.000 1.145 620 Y CA 1.930 59.831 58.100 -0.331 0.000 1.148 620 Y CB -0.521 37.665 38.460 -0.456 0.000 0.981 620 Y HN 0.425 nan 8.280 nan 0.000 0.507 621 W N -0.608 120.510 121.300 -0.303 0.000 2.358 621 W HA -0.186 4.474 4.660 -0.000 0.000 0.303 621 W C 2.697 178.942 176.519 -0.457 0.000 1.208 621 W CA 1.279 58.290 57.345 -0.556 0.000 1.274 621 W CB -0.797 28.001 29.460 -1.103 0.000 1.138 621 W HN 0.107 nan 8.180 nan 0.000 0.515 622 C N -1.075 118.136 119.300 -0.149 0.000 2.446 622 C HA -0.204 4.256 4.460 -0.000 0.000 0.277 622 C C 2.630 177.589 174.990 -0.052 0.000 1.275 622 C CA 1.268 60.266 59.018 -0.032 0.000 1.727 622 C CB -1.302 26.449 27.740 0.018 0.000 2.010 622 C HN 0.430 nan 8.230 nan 0.000 0.486 623 Q N 0.791 120.519 119.800 -0.120 0.000 2.119 623 Q HA -0.162 4.178 4.340 -0.000 0.000 0.201 623 Q C 2.207 178.114 176.000 -0.155 0.000 0.972 623 Q CA 1.751 57.481 55.803 -0.121 0.000 0.847 623 Q CB -0.059 28.595 28.738 -0.141 0.000 0.903 623 Q HN 0.630 nan 8.270 nan 0.000 0.433 624 S N -0.223 115.306 115.700 -0.285 0.000 2.368 624 S HA -0.123 4.347 4.470 -0.000 0.000 0.225 624 S C 1.942 176.511 174.600 -0.052 0.000 1.030 624 S CA 1.279 59.312 58.200 -0.278 0.000 0.999 624 S CB -0.196 62.676 63.200 -0.547 0.000 0.844 624 S HN 0.256 nan 8.310 nan 0.000 0.459 625 V N 1.744 121.673 119.914 0.025 0.000 2.343 625 V HA -0.182 3.938 4.120 -0.000 0.000 0.247 625 V C 2.498 178.649 176.094 0.093 0.000 1.051 625 V CA 2.046 64.413 62.300 0.112 0.000 1.036 625 V CB -1.329 30.584 31.823 0.148 0.000 0.654 625 V HN 0.505 nan 8.190 nan 0.000 0.451 626 T N -0.269 114.314 114.554 0.049 0.000 2.746 626 T HA -0.209 4.141 4.350 -0.000 0.000 0.267 626 T C 1.793 176.521 174.700 0.047 0.000 1.039 626 T CA 1.810 63.936 62.100 0.043 0.000 1.142 626 T CB -0.220 68.658 68.868 0.017 0.000 0.866 626 T HN 0.627 nan 8.240 nan 0.000 0.444 627 E N 0.811 121.030 120.200 0.031 0.000 2.031 627 E HA -0.053 4.297 4.350 -0.000 0.000 0.193 627 E C 2.302 178.975 176.600 0.121 0.000 0.994 627 E CA 0.917 57.343 56.400 0.044 0.000 0.800 627 E CB -0.340 29.364 29.700 0.007 0.000 0.752 627 E HN 0.385 nan 8.360 nan 0.000 0.447 628 L N 0.983 122.312 121.223 0.177 0.000 2.012 628 L HA -0.212 4.128 4.340 -0.000 0.000 0.210 628 L C 2.417 179.509 176.870 0.371 0.000 1.073 628 L CA 0.993 56.046 54.840 0.355 0.000 0.748 628 L CB -0.404 41.849 42.059 0.322 0.000 0.891 628 L HN 0.017 nan 8.230 nan 0.000 0.431 629 K N 0.095 120.631 120.400 0.228 0.000 2.148 629 K HA -0.048 4.272 4.320 -0.000 0.000 0.204 629 K C 2.121 178.780 176.600 0.099 0.000 1.050 629 K CA 1.330 57.715 56.287 0.163 0.000 0.942 629 K CB -0.407 32.162 32.500 0.116 0.000 0.724 629 K HN 0.297 nan 8.250 nan 0.000 0.446 630 A N 1.458 124.322 122.820 0.072 0.000 1.929 630 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 630 A C 1.496 179.053 177.584 -0.044 0.000 1.176 630 A CA 1.597 53.642 52.037 0.014 0.000 0.628 630 A CB -0.139 18.865 19.000 0.007 0.000 0.816 630 A HN 0.151 nan 8.150 nan 0.000 0.444 631 D N -1.633 118.727 120.400 -0.067 0.000 2.305 631 D HA 0.121 4.761 4.640 -0.000 0.000 0.206 631 D C -0.478 175.415 176.300 -0.678 0.000 0.974 631 D CA 0.712 54.498 54.000 -0.356 0.000 0.871 631 D CB 0.051 40.602 40.800 -0.415 0.000 0.947 631 D HN 0.432 nan 8.370 nan 0.000 0.516 632 F N -0.286 119.693 119.950 0.049 0.000 2.622 632 F HA 0.303 4.830 4.527 -0.000 0.000 0.338 632 F C -1.859 173.902 175.800 -0.065 0.000 1.334 632 F CA -1.844 56.149 58.000 -0.011 0.000 1.179 632 F CB 1.842 40.835 39.000 -0.012 0.000 1.471 632 F HN -0.211 nan 8.300 nan 0.000 0.576 633 P HA -0.145 nan 4.420 nan 0.000 0.218 633 P C 0.884 178.174 177.300 -0.018 0.000 1.148 633 P CA 1.478 64.584 63.100 0.010 0.000 0.822 633 P CB 0.332 32.025 31.700 -0.012 0.000 0.784 634 D N -1.657 118.730 120.400 -0.022 0.000 2.349 634 D HA 0.028 4.668 4.640 -0.000 0.000 0.215 634 D C 0.105 176.337 176.300 -0.113 0.000 1.016 634 D CA 0.469 54.438 54.000 -0.052 0.000 0.870 634 D CB -0.475 40.313 40.800 -0.020 0.000 0.917 634 D HN 0.272 nan 8.370 nan 0.000 0.524 635 N N 0.882 119.464 118.700 -0.197 0.000 2.434 635 N HA 0.153 4.893 4.740 -0.000 0.000 0.272 635 N C -0.175 175.158 175.510 -0.295 0.000 1.040 635 N CA -0.397 52.386 53.050 -0.446 0.000 0.956 635 N CB 1.551 39.263 38.487 -1.292 0.000 1.108 635 N HN -0.121 nan 8.380 nan 0.000 0.481 636 I N 2.479 122.963 120.570 -0.144 0.000 2.471 636 I HA 0.113 4.283 4.170 -0.000 0.000 0.286 636 I C -0.080 176.185 176.117 0.246 0.000 1.079 636 I CA -0.256 61.021 61.300 -0.039 0.000 1.398 636 I CB 0.287 38.112 38.000 -0.292 0.000 1.403 636 I HN 0.208 nan 8.210 nan 0.000 0.530 637 V N 8.229 128.283 119.914 0.232 0.000 2.409 637 V HA 0.458 4.577 4.120 -0.000 0.000 0.291 637 V C 0.172 176.424 176.094 0.263 0.000 1.020 637 V CA -0.536 61.962 62.300 0.331 0.000 0.848 637 V CB 1.998 34.008 31.823 0.310 0.000 0.990 637 V HN 0.423 nan 8.190 nan 0.000 0.430 638 I N 4.121 124.868 120.570 0.296 0.000 2.389 638 I HA 0.636 4.806 4.170 -0.000 0.000 0.288 638 I C 0.454 176.695 176.117 0.206 0.000 0.999 638 I CA -0.622 60.835 61.300 0.261 0.000 1.129 638 I CB 1.848 40.046 38.000 0.329 0.000 1.288 638 I HN 0.645 nan 8.210 nan 0.000 0.444 639 A N 4.648 127.577 122.820 0.182 0.000 2.309 639 A HA 0.438 4.758 4.320 -0.000 0.000 0.290 639 A C 0.124 177.721 177.584 0.022 0.000 1.206 639 A CA -0.209 51.928 52.037 0.167 0.000 0.850 639 A CB 0.672 19.831 19.000 0.265 0.000 1.118 639 A HN 0.657 nan 8.150 nan 0.000 0.523 640 S N 2.830 118.487 115.700 -0.071 0.000 2.475 640 S HA 0.635 5.105 4.470 -0.000 0.000 0.281 640 S C -0.153 174.194 174.600 -0.420 0.000 1.198 640 S CA -0.561 57.556 58.200 -0.138 0.000 1.063 640 S CB -0.384 62.762 63.200 -0.090 0.000 0.972 640 S HN 0.827 nan 8.310 nan 0.000 0.486 641 I N 2.245 122.621 120.570 -0.323 0.000 2.934 641 I HA 0.749 4.919 4.170 -0.000 0.000 0.306 641 I C -0.972 175.021 176.117 -0.206 0.000 1.110 641 I CA -1.262 59.753 61.300 -0.475 0.000 1.019 641 I CB 2.314 40.024 38.000 -0.483 0.000 1.227 641 I HN 0.699 nan 8.210 nan 0.000 0.434 642 M N 4.404 123.783 119.600 -0.369 0.000 2.371 642 M HA 0.684 5.164 4.480 -0.000 0.000 0.287 642 M C -2.093 173.789 176.300 -0.696 0.000 1.149 642 M CA 0.047 55.115 55.300 -0.386 0.000 0.929 642 M CB 1.938 34.460 32.600 -0.129 0.000 1.683 642 M HN 0.947 nan 8.290 nan 0.000 0.470 643 C N 0.833 119.463 119.300 -1.117 0.000 3.171 643 C HA 0.810 5.270 4.460 -0.000 0.000 0.308 643 C C 0.281 175.064 174.990 -0.344 0.000 1.334 643 C CA -0.699 57.761 59.018 -0.929 0.000 1.473 643 C CB 2.229 29.011 27.740 -1.596 0.000 1.866 643 C HN 0.989 nan 8.230 nan 0.000 0.465 644 S N 0.048 115.671 115.700 -0.128 0.000 2.641 644 S HA 0.267 4.737 4.470 -0.000 0.000 0.261 644 S C -0.428 174.405 174.600 0.387 0.000 1.257 644 S CA -0.106 58.175 58.200 0.135 0.000 0.983 644 S CB -0.024 63.228 63.200 0.086 0.000 0.990 644 S HN 0.721 nan 8.310 nan 0.000 0.572 645 Y N 2.707 123.196 120.300 0.315 0.000 2.518 645 Y HA 0.304 4.854 4.550 -0.000 0.000 0.337 645 Y C 0.148 176.299 175.900 0.418 0.000 1.261 645 Y CA -0.367 58.014 58.100 0.468 0.000 1.856 645 Y CB -0.991 37.654 38.460 0.310 0.000 1.798 645 Y HN 0.723 nan 8.280 nan 0.000 0.440 646 N N 3.816 122.672 118.700 0.261 0.000 2.454 646 N HA 0.102 4.842 4.740 -0.000 0.000 0.291 646 N C 0.498 175.749 175.510 -0.431 0.000 1.079 646 N CA -0.365 52.604 53.050 -0.135 0.000 0.893 646 N CB 1.500 39.940 38.487 -0.078 0.000 1.512 646 N HN 0.572 nan 8.380 nan 0.000 0.497 647 K N 3.060 122.732 120.400 -1.214 0.000 2.032 647 K HA -0.111 4.209 4.320 -0.000 0.000 0.209 647 K C 0.955 177.206 176.600 -0.583 0.000 1.048 647 K CA 1.457 56.818 56.287 -1.543 0.000 0.927 647 K CB 0.122 31.603 32.500 -1.699 0.000 0.712 647 K HN 0.466 nan 8.250 nan 0.000 0.441 648 N N 1.424 119.884 118.700 -0.400 0.000 2.104 648 N HA -0.160 4.580 4.740 -0.000 0.000 0.190 648 N C 1.360 176.783 175.510 -0.146 0.000 1.024 648 N CA 1.528 54.445 53.050 -0.221 0.000 0.853 648 N CB -0.520 37.863 38.487 -0.174 0.000 1.008 648 N HN 0.289 nan 8.380 nan 0.000 0.424 649 D N -0.045 120.262 120.400 -0.156 0.000 2.092 649 D HA -0.142 4.498 4.640 -0.000 0.000 0.193 649 D C 1.927 178.143 176.300 -0.140 0.000 0.994 649 D CA 0.836 54.738 54.000 -0.164 0.000 0.828 649 D CB -0.567 40.096 40.800 -0.229 0.000 0.963 649 D HN 0.358 nan 8.370 nan 0.000 0.450 650 W N 0.808 122.060 121.300 -0.081 0.000 2.342 650 W HA -0.096 4.564 4.660 0.000 0.000 0.297 650 W C 2.667 179.149 176.519 -0.062 0.000 1.213 650 W CA 0.692 58.020 57.345 -0.029 0.000 1.251 650 W CB -0.280 29.244 29.460 0.106 0.000 1.136 650 W HN -0.034 nan 8.180 nan 0.000 0.526 651 M N -0.722 118.955 119.600 0.128 0.000 2.200 651 M HA -0.161 4.319 4.480 -0.000 0.000 0.265 651 M C 2.064 178.374 176.300 0.017 0.000 1.066 651 M CA 1.574 56.902 55.300 0.047 0.000 1.127 651 M CB -0.684 31.904 32.600 -0.020 0.000 1.379 651 M HN 0.055 nan 8.290 nan 0.000 0.420 652 E N 0.898 121.091 120.200 -0.011 0.000 2.031 652 E HA -0.237 4.112 4.350 -0.000 0.000 0.193 652 E C 1.977 178.580 176.600 0.005 0.000 0.994 652 E CA 1.251 57.643 56.400 -0.013 0.000 0.800 652 E CB -0.016 29.663 29.700 -0.036 0.000 0.752 652 E HN 0.261 nan 8.360 nan 0.000 0.447 653 L N 1.069 122.282 121.223 -0.018 0.000 2.017 653 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 653 L C 2.529 179.413 176.870 0.023 0.000 1.073 653 L CA 2.423 57.256 54.840 -0.011 0.000 0.745 653 L CB -0.759 41.223 42.059 -0.129 0.000 0.894 653 L HN 0.236 nan 8.230 nan 0.000 0.432 654 S N -0.990 114.731 115.700 0.035 0.000 2.382 654 S HA -0.224 4.246 4.470 -0.000 0.000 0.228 654 S C 2.138 176.764 174.600 0.042 0.000 1.027 654 S CA 1.129 59.351 58.200 0.037 0.000 0.991 654 S CB -0.629 62.588 63.200 0.028 0.000 0.823 654 S HN 0.489 nan 8.310 nan 0.000 0.469 655 R N 1.266 121.790 120.500 0.039 0.000 2.090 655 R HA 0.095 4.435 4.340 -0.000 0.000 0.228 655 R C 2.568 178.903 176.300 0.059 0.000 1.110 655 R CA 1.318 57.442 56.100 0.040 0.000 0.973 655 R CB -0.248 30.068 30.300 0.027 0.000 0.869 655 R HN 0.499 nan 8.270 nan 0.000 0.440 656 K N 0.580 121.023 120.400 0.072 0.000 2.057 656 K HA -0.106 4.214 4.320 -0.000 0.000 0.207 656 K C 1.978 178.660 176.600 0.137 0.000 1.049 656 K CA 1.407 57.753 56.287 0.098 0.000 0.931 656 K CB -0.046 32.524 32.500 0.116 0.000 0.714 656 K HN 0.147 nan 8.250 nan 0.000 0.440 657 A N 1.288 124.211 122.820 0.171 0.000 1.898 657 A HA -0.200 4.120 4.320 -0.000 0.000 0.216 657 A C 2.004 179.676 177.584 0.148 0.000 1.181 657 A CA 1.700 53.871 52.037 0.223 0.000 0.620 657 A CB -0.559 18.572 19.000 0.217 0.000 0.819 657 A HN 0.596 nan 8.150 nan 0.000 0.442 658 E N 0.099 120.359 120.200 0.101 0.000 2.077 658 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 658 E C 2.030 178.672 176.600 0.071 0.000 0.989 658 E CA 1.156 57.602 56.400 0.078 0.000 0.800 658 E CB -0.291 29.442 29.700 0.056 0.000 0.746 658 E HN 0.504 nan 8.360 nan 0.000 0.452 659 A N 0.849 123.709 122.820 0.067 0.000 2.019 659 A HA -0.166 4.154 4.320 -0.000 0.000 0.219 659 A C 2.274 179.892 177.584 0.058 0.000 1.164 659 A CA 1.729 53.799 52.037 0.055 0.000 0.644 659 A CB -0.656 18.372 19.000 0.048 0.000 0.805 659 A HN 0.454 nan 8.150 nan 0.000 0.449 660 S N -1.980 113.766 115.700 0.077 0.000 2.481 660 S HA 0.313 4.783 4.470 -0.000 0.000 0.231 660 S C 1.434 176.077 174.600 0.072 0.000 0.996 660 S CA 1.225 59.469 58.200 0.072 0.000 0.942 660 S CB -0.276 62.980 63.200 0.093 0.000 0.768 660 S HN 1.879 nan 8.310 nan 0.000 0.520 661 G N 0.402 109.247 108.800 0.075 0.000 2.168 661 G HA2 0.047 4.007 3.960 -0.000 0.000 0.197 661 G HA3 0.047 4.007 3.960 -0.000 0.000 0.197 661 G C 0.193 175.145 174.900 0.086 0.000 0.997 661 G CA -0.197 44.945 45.100 0.070 0.000 0.658 661 G HN 1.193 nan 8.290 nan 0.000 0.513 662 A N 0.415 123.299 122.820 0.107 0.000 2.531 662 A HA 0.461 4.781 4.320 -0.000 0.000 0.236 662 A C 1.292 178.931 177.584 0.092 0.000 1.062 662 A CA 0.993 53.104 52.037 0.124 0.000 0.760 662 A CB 0.262 19.352 19.000 0.151 0.000 0.995 662 A HN 0.249 nan 8.150 nan 0.000 0.501 663 D N 0.636 121.090 120.400 0.089 0.000 2.224 663 D HA 0.223 4.863 4.640 -0.000 0.000 0.205 663 D C 0.789 177.122 176.300 0.055 0.000 0.965 663 D CA 1.908 55.937 54.000 0.049 0.000 0.852 663 D CB 0.157 40.964 40.800 0.012 0.000 0.947 663 D HN 0.776 nan 8.370 nan 0.000 0.494 664 A N -0.509 122.365 122.820 0.090 0.000 2.540 664 A HA 0.621 4.941 4.320 -0.000 0.000 0.291 664 A C -1.735 175.904 177.584 0.091 0.000 1.083 664 A CA -0.679 51.391 52.037 0.054 0.000 0.650 664 A CB 0.684 19.727 19.000 0.072 0.000 1.292 664 A HN 0.021 nan 8.150 nan 0.000 0.435 665 L N -0.003 121.247 121.223 0.046 0.000 2.323 665 L HA 0.748 5.088 4.340 -0.000 0.000 0.265 665 L C -0.219 176.742 176.870 0.152 0.000 1.012 665 L CA -0.525 54.373 54.840 0.096 0.000 0.820 665 L CB 2.183 44.283 42.059 0.068 0.000 1.334 665 L HN 0.875 nan 8.230 nan 0.000 0.427 666 E N 1.675 121.975 120.200 0.166 0.000 2.216 666 E HA 0.396 4.746 4.350 -0.000 0.000 0.260 666 E C -1.659 175.035 176.600 0.156 0.000 0.880 666 E CA -0.838 55.691 56.400 0.215 0.000 0.765 666 E CB 1.624 31.449 29.700 0.209 0.000 1.174 666 E HN 0.306 nan 8.360 nan 0.000 0.417 667 L N 4.453 125.787 121.223 0.185 0.000 2.283 667 L HA 0.215 4.555 4.340 -0.000 0.000 0.287 667 L C 0.281 177.257 176.870 0.176 0.000 1.073 667 L CA -0.202 54.749 54.840 0.187 0.000 0.822 667 L CB 0.381 42.463 42.059 0.037 0.000 1.186 667 L HN 0.449 nan 8.230 nan 0.000 0.436 668 N N 4.863 123.684 118.700 0.201 0.000 2.415 668 N HA 0.122 4.862 4.740 -0.000 0.000 0.250 668 N C -0.213 175.405 175.510 0.180 0.000 1.127 668 N CA 0.090 53.223 53.050 0.138 0.000 0.945 668 N CB 0.413 38.942 38.487 0.070 0.000 1.196 668 N HN 0.563 nan 8.380 nan 0.000 0.499 669 L N 2.100 123.399 121.223 0.126 0.000 3.218 669 L HA 0.207 4.547 4.340 -0.000 0.000 0.279 669 L C 0.554 177.465 176.870 0.068 0.000 1.287 669 L CA -0.142 54.765 54.840 0.110 0.000 1.024 669 L CB 0.141 42.237 42.059 0.062 0.000 1.409 669 L HN 0.440 nan 8.230 nan 0.000 0.580 670 S N -2.803 112.930 115.700 0.056 0.000 3.053 670 S HA 0.049 4.519 4.470 -0.000 0.000 0.255 670 S C 0.155 174.762 174.600 0.011 0.000 0.976 670 S CA -0.481 57.740 58.200 0.035 0.000 1.159 670 S CB -0.315 62.909 63.200 0.040 0.000 1.110 670 S HN 0.292 nan 8.310 nan 0.000 0.633 671 C N 5.910 125.200 119.300 -0.016 0.000 2.648 671 C HA 0.324 4.784 4.460 -0.000 0.000 0.406 671 C C -0.720 174.213 174.990 -0.095 0.000 1.406 671 C CA -1.192 57.767 59.018 -0.099 0.000 1.610 671 C CB 0.290 27.947 27.740 -0.139 0.000 2.451 671 C HN 0.466 nan 8.230 nan 0.000 0.608 672 P HA 0.020 nan 4.420 nan 0.000 0.242 672 P C -0.136 177.255 177.300 0.151 0.000 1.197 672 P CA 1.274 64.419 63.100 0.075 0.000 0.765 672 P CB -0.109 31.697 31.700 0.176 0.000 0.936 673 H N -5.221 113.882 119.070 0.056 0.000 3.003 673 H HA 0.352 4.908 4.556 -0.000 0.000 0.327 673 H C 0.749 176.103 175.328 0.042 0.000 1.353 673 H CA -0.163 55.921 56.048 0.060 0.000 1.142 673 H CB 0.540 30.340 29.762 0.064 0.000 1.864 673 H HN 0.025 nan 8.280 nan 0.000 0.529 674 G N 0.784 109.666 108.800 0.137 0.000 4.300 674 G HA2 -0.432 3.528 3.960 -0.000 0.000 0.222 674 G HA3 -0.432 3.528 3.960 -0.000 0.000 0.222 674 G C 1.128 176.041 174.900 0.021 0.000 1.344 674 G CA 1.256 46.401 45.100 0.074 0.000 1.014 674 G HN 0.543 nan 8.290 nan 0.000 0.641 675 M N 1.887 121.471 119.600 -0.027 0.000 2.446 675 M HA 0.087 4.567 4.480 -0.000 0.000 0.263 675 M C 2.604 178.910 176.300 0.011 0.000 1.066 675 M CA 1.492 56.783 55.300 -0.015 0.000 1.087 675 M CB -1.618 30.959 32.600 -0.038 0.000 1.406 675 M HN 0.517 nan 8.290 nan 0.000 0.459 676 G N -0.026 108.786 108.800 0.019 0.000 2.534 676 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.217 676 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.217 676 G C 1.470 176.394 174.900 0.039 0.000 1.128 676 G CA 0.214 45.335 45.100 0.035 0.000 0.784 676 G HN 0.517 nan 8.290 nan 0.000 0.542 677 E N -0.366 119.857 120.200 0.037 0.000 2.474 677 E HA 0.109 4.459 4.350 -0.000 0.000 0.194 677 E C 1.763 178.381 176.600 0.031 0.000 1.041 677 E CA -0.097 56.325 56.400 0.035 0.000 0.874 677 E CB 0.257 29.978 29.700 0.035 0.000 0.914 677 E HN 0.287 nan 8.360 nan 0.000 0.498 678 R N -0.505 120.013 120.500 0.029 0.000 2.507 678 R HA 0.197 4.537 4.340 -0.000 0.000 0.298 678 R C 0.818 177.141 176.300 0.037 0.000 0.999 678 R CA 0.434 56.549 56.100 0.026 0.000 1.082 678 R CB 1.071 31.381 30.300 0.015 0.000 1.246 678 R HN 0.198 nan 8.270 nan 0.000 0.553 679 G N 1.144 109.974 108.800 0.049 0.000 2.299 679 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.237 679 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.237 679 G C 0.376 175.332 174.900 0.093 0.000 1.027 679 G CA 0.464 45.607 45.100 0.072 0.000 0.619 679 G HN 0.254 nan 8.290 nan 0.000 0.513 680 M N -0.875 118.774 119.600 0.082 0.000 2.544 680 M HA 0.700 5.180 4.480 -0.000 0.000 0.239 680 M C 1.722 178.067 176.300 0.076 0.000 1.030 680 M CA -0.009 55.356 55.300 0.108 0.000 1.193 680 M CB 0.137 32.793 32.600 0.094 0.000 1.346 680 M HN 1.617 nan 8.290 nan 0.000 0.651 681 G N 0.484 109.337 108.800 0.087 0.000 2.565 681 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.295 681 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.295 681 G C 0.398 175.324 174.900 0.043 0.000 1.165 681 G CA 0.612 45.742 45.100 0.049 0.000 0.977 681 G HN 0.818 nan 8.290 nan 0.000 0.546 682 L N 1.529 122.765 121.223 0.022 0.000 2.051 682 L HA 0.118 4.458 4.340 -0.000 0.000 0.214 682 L C 3.220 180.102 176.870 0.020 0.000 1.076 682 L CA 3.348 58.201 54.840 0.023 0.000 0.758 682 L CB -1.306 40.770 42.059 0.028 0.000 0.890 682 L HN 1.499 nan 8.230 nan 0.000 0.433 683 A N -0.995 121.839 122.820 0.023 0.000 1.827 683 A HA -0.271 4.049 4.320 -0.000 0.000 0.215 683 A C 2.368 179.945 177.584 -0.011 0.000 1.212 683 A CA 2.054 54.095 52.037 0.007 0.000 0.624 683 A CB -1.586 17.423 19.000 0.015 0.000 0.853 683 A HN 0.614 nan 8.150 nan 0.000 0.450 684 C N -0.630 118.674 119.300 0.007 0.000 2.398 684 C HA -0.055 4.405 4.460 -0.000 0.000 0.282 684 C C 2.700 177.678 174.990 -0.021 0.000 1.275 684 C CA 0.707 59.716 59.018 -0.015 0.000 1.797 684 C CB -1.786 26.011 27.740 0.095 0.000 1.991 684 C HN 0.767 nan 8.230 nan 0.000 0.505 685 G N -1.003 107.801 108.800 0.007 0.000 2.813 685 G HA2 -0.051 3.909 3.960 -0.000 0.000 0.209 685 G HA3 -0.051 3.909 3.960 -0.000 0.000 0.209 685 G C 1.500 176.395 174.900 -0.009 0.000 1.150 685 G CA 0.064 45.166 45.100 0.003 0.000 0.785 685 G HN 0.698 nan 8.290 nan 0.000 0.535 686 Q N -0.467 119.322 119.800 -0.019 0.000 2.384 686 Q HA 0.080 4.420 4.340 -0.000 0.000 0.207 686 Q C -0.190 175.789 176.000 -0.035 0.000 0.904 686 Q CA -0.042 55.749 55.803 -0.020 0.000 0.933 686 Q CB 0.707 29.435 28.738 -0.016 0.000 1.077 686 Q HN 0.223 nan 8.270 nan 0.000 0.522 687 D N 0.921 121.287 120.400 -0.056 0.000 2.392 687 D HA 0.104 4.744 4.640 -0.000 0.000 0.228 687 D C -1.778 174.478 176.300 -0.075 0.000 1.074 687 D CA -2.346 51.611 54.000 -0.071 0.000 0.838 687 D CB 1.636 42.375 40.800 -0.103 0.000 1.067 687 D HN -0.128 nan 8.370 nan 0.000 0.511 688 P HA -0.190 nan 4.420 nan 0.000 0.217 688 P C 1.131 178.385 177.300 -0.077 0.000 1.148 688 P CA 0.935 63.999 63.100 -0.059 0.000 0.828 688 P CB 0.568 32.240 31.700 -0.047 0.000 0.783 689 E N 0.164 120.316 120.200 -0.080 0.000 2.051 689 E HA -0.140 4.210 4.350 -0.000 0.000 0.192 689 E C 2.172 178.704 176.600 -0.112 0.000 0.991 689 E CA 0.932 57.282 56.400 -0.084 0.000 0.799 689 E CB -0.459 29.200 29.700 -0.068 0.000 0.748 689 E HN 0.161 nan 8.360 nan 0.000 0.449 690 L N 0.398 121.529 121.223 -0.154 0.000 2.056 690 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 690 L C 2.592 179.370 176.870 -0.153 0.000 1.078 690 L CA 0.641 55.363 54.840 -0.198 0.000 0.749 690 L CB -0.451 41.389 42.059 -0.364 0.000 0.901 690 L HN 0.102 nan 8.230 nan 0.000 0.433 691 V N 0.058 119.888 119.914 -0.139 0.000 2.343 691 V HA -0.298 3.822 4.120 -0.000 0.000 0.247 691 V C 2.729 178.720 176.094 -0.173 0.000 1.051 691 V CA 1.900 64.118 62.300 -0.137 0.000 1.036 691 V CB -0.679 31.098 31.823 -0.077 0.000 0.654 691 V HN 0.454 nan 8.190 nan 0.000 0.451 692 R N 0.232 120.641 120.500 -0.153 0.000 2.073 692 R HA -0.170 4.170 4.340 -0.000 0.000 0.234 692 R C 2.244 178.386 176.300 -0.264 0.000 1.134 692 R CA 1.896 57.903 56.100 -0.156 0.000 0.952 692 R CB -0.251 29.980 30.300 -0.116 0.000 0.850 692 R HN 0.541 nan 8.270 nan 0.000 0.433 693 N N 0.705 119.185 118.700 -0.367 0.000 2.142 693 N HA -0.142 4.598 4.740 -0.000 0.000 0.186 693 N C 1.916 176.685 175.510 -1.236 0.000 1.023 693 N CA 1.397 54.019 53.050 -0.713 0.000 0.852 693 N CB -0.210 37.870 38.487 -0.678 0.000 0.998 693 N HN 0.292 nan 8.380 nan 0.000 0.424 694 I N 0.594 120.566 120.570 -0.997 0.000 2.226 694 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 694 I C 2.129 177.855 176.117 -0.651 0.000 1.100 694 I CA 0.819 61.532 61.300 -0.979 0.000 1.374 694 I CB -0.253 37.242 38.000 -0.841 0.000 1.057 694 I HN 0.133 nan 8.210 nan 0.000 0.413 695 C N 0.303 119.357 119.300 -0.409 0.000 2.435 695 C HA -0.099 4.361 4.460 -0.000 0.000 0.279 695 C C 2.897 177.845 174.990 -0.070 0.000 1.321 695 C CA 0.631 59.572 59.018 -0.130 0.000 1.752 695 C CB -1.223 26.578 27.740 0.102 0.000 1.959 695 C HN 0.408 nan 8.230 nan 0.000 0.500 696 R N -0.484 119.916 120.500 -0.167 0.000 2.075 696 R HA -0.117 4.223 4.340 -0.000 0.000 0.232 696 R C 2.189 178.519 176.300 0.050 0.000 1.126 696 R CA 1.500 57.565 56.100 -0.059 0.000 0.963 696 R CB -0.222 30.012 30.300 -0.111 0.000 0.858 696 R HN 0.566 nan 8.270 nan 0.000 0.435 697 W N 0.065 121.282 121.300 -0.137 0.000 2.338 697 W HA -0.118 4.542 4.660 0.000 0.000 0.304 697 W C 2.031 178.455 176.519 -0.159 0.000 1.212 697 W CA 0.488 57.753 57.345 -0.133 0.000 1.264 697 W CB -1.071 28.300 29.460 -0.148 0.000 1.142 697 W HN -0.090 nan 8.180 nan 0.000 0.512 698 V N 0.558 120.429 119.914 -0.073 0.000 2.379 698 V HA -0.241 3.879 4.120 -0.000 0.000 0.245 698 V C 2.463 178.385 176.094 -0.287 0.000 1.044 698 V CA 2.077 64.184 62.300 -0.323 0.000 1.036 698 V CB -0.886 30.426 31.823 -0.852 0.000 0.664 698 V HN -0.032 nan 8.190 nan 0.000 0.453 699 R N 1.591 122.012 120.500 -0.133 0.000 2.091 699 R HA -0.224 4.116 4.340 -0.000 0.000 0.238 699 R C 2.301 178.661 176.300 0.101 0.000 1.136 699 R CA 2.241 58.452 56.100 0.185 0.000 0.959 699 R CB -0.564 29.904 30.300 0.281 0.000 0.856 699 R HN 0.777 nan 8.270 nan 0.000 0.437 700 Q N -1.621 118.220 119.800 0.069 0.000 2.432 700 Q HA 0.157 4.497 4.340 -0.000 0.000 0.205 700 Q C 1.551 177.575 176.000 0.039 0.000 0.945 700 Q CA 0.916 56.755 55.803 0.060 0.000 0.924 700 Q CB 0.144 28.923 28.738 0.068 0.000 1.016 700 Q HN 0.314 nan 8.270 nan 0.000 0.503 701 A N 1.353 124.186 122.820 0.022 0.000 1.984 701 A HA 0.245 4.565 4.320 -0.000 0.000 0.214 701 A C 1.131 178.723 177.584 0.013 0.000 1.173 701 A CA 0.828 52.872 52.037 0.012 0.000 0.673 701 A CB 0.160 19.164 19.000 0.006 0.000 0.830 701 A HN 0.347 nan 8.150 nan 0.000 0.453 702 V N -4.394 115.528 119.914 0.013 0.000 3.141 702 V HA 0.525 4.645 4.120 -0.000 0.000 0.312 702 V C 0.020 176.149 176.094 0.059 0.000 1.157 702 V CA -0.636 61.682 62.300 0.031 0.000 1.041 702 V CB 1.510 33.347 31.823 0.023 0.000 1.071 702 V HN 0.276 nan 8.190 nan 0.000 0.441 703 Q N 1.018 120.850 119.800 0.054 0.000 2.378 703 Q HA 0.390 4.730 4.340 -0.000 0.000 0.229 703 Q C 0.792 176.823 176.000 0.052 0.000 0.882 703 Q CA 0.310 56.146 55.803 0.054 0.000 0.936 703 Q CB 0.779 29.539 28.738 0.037 0.000 1.092 703 Q HN 0.879 nan 8.270 nan 0.000 0.535 704 I N 0.013 120.614 120.570 0.051 0.000 2.882 704 I HA 0.256 4.426 4.170 -0.000 0.000 0.286 704 I C -2.162 173.971 176.117 0.025 0.000 1.139 704 I CA -2.234 59.085 61.300 0.032 0.000 1.379 704 I CB -0.078 37.941 38.000 0.032 0.000 1.410 704 I HN -0.190 nan 8.210 nan 0.000 0.594 705 P HA 0.227 nan 4.420 nan 0.000 0.272 705 P C -1.121 175.971 177.300 -0.347 0.000 1.230 705 P CA 0.168 63.131 63.100 -0.227 0.000 0.788 705 P CB 0.684 32.235 31.700 -0.248 0.000 0.949 706 F N -0.733 118.804 119.950 -0.689 0.000 2.619 706 F HA 0.724 5.251 4.527 0.000 0.000 0.308 706 F C -1.880 173.423 175.800 -0.828 0.000 1.097 706 F CA -1.489 56.088 58.000 -0.704 0.000 0.953 706 F CB 1.030 39.866 39.000 -0.275 0.000 1.287 706 F HN 0.059 nan 8.300 nan 0.000 0.446 707 F N 1.628 121.661 119.950 0.139 0.000 2.532 707 F HA 0.817 5.344 4.527 -0.000 0.000 0.321 707 F C 0.069 175.947 175.800 0.129 0.000 1.089 707 F CA -1.421 56.583 58.000 0.008 0.000 0.926 707 F CB 2.157 41.124 39.000 -0.055 0.000 1.168 707 F HN 0.868 nan 8.300 nan 0.000 0.459 708 A N 2.535 125.509 122.820 0.256 0.000 2.274 708 A HA 0.461 4.781 4.320 -0.000 0.000 0.309 708 A C -0.404 177.265 177.584 0.141 0.000 1.226 708 A CA -0.725 51.424 52.037 0.186 0.000 0.853 708 A CB 0.559 19.647 19.000 0.146 0.000 1.146 708 A HN 0.779 nan 8.150 nan 0.000 0.518 709 K N 3.822 124.295 120.400 0.122 0.000 2.284 709 K HA 0.473 4.793 4.320 -0.000 0.000 0.287 709 K C -0.855 175.787 176.600 0.070 0.000 1.081 709 K CA -0.206 56.135 56.287 0.090 0.000 0.910 709 K CB 0.130 32.681 32.500 0.086 0.000 1.088 709 K HN 0.713 nan 8.250 nan 0.000 0.478 710 L N 2.687 123.946 121.223 0.060 0.000 2.399 710 L HA 0.289 4.629 4.340 -0.000 0.000 0.266 710 L C 0.764 177.662 176.870 0.046 0.000 1.114 710 L CA -0.708 54.163 54.840 0.052 0.000 0.804 710 L CB 1.425 43.516 42.059 0.054 0.000 1.146 710 L HN 0.594 nan 8.230 nan 0.000 0.451 711 T N 1.353 115.931 114.554 0.039 0.000 2.909 711 T HA 0.375 4.725 4.350 -0.000 0.000 0.286 711 T C -1.726 172.996 174.700 0.037 0.000 1.002 711 T CA -1.771 60.352 62.100 0.038 0.000 1.074 711 T CB 1.425 70.312 68.868 0.032 0.000 0.984 711 T HN 0.489 nan 8.240 nan 0.000 0.495 712 P HA 0.118 nan 4.420 nan 0.000 0.245 712 P C 0.033 177.349 177.300 0.027 0.000 1.203 712 P CA 0.067 63.190 63.100 0.038 0.000 0.792 712 P CB 0.296 32.024 31.700 0.047 0.000 0.997 713 N N 1.535 120.249 118.700 0.023 0.000 3.210 713 N HA 0.149 4.889 4.740 -0.000 0.000 0.314 713 N C 0.164 175.677 175.510 0.005 0.000 1.291 713 N CA 0.322 53.379 53.050 0.011 0.000 1.202 713 N CB 0.214 38.708 38.487 0.011 0.000 1.475 713 N HN 0.166 nan 8.380 nan 0.000 0.554 714 V N -3.759 116.158 119.914 0.005 0.000 3.087 714 V HA 0.383 4.503 4.120 -0.000 0.000 0.306 714 V C 1.140 177.234 176.094 0.000 0.000 1.187 714 V CA -0.863 61.437 62.300 0.001 0.000 0.999 714 V CB 1.522 33.347 31.823 0.003 0.000 1.049 714 V HN -0.001 nan 8.190 nan 0.000 0.431 715 T N 0.689 115.241 114.554 -0.004 0.000 2.746 715 T HA -0.057 4.293 4.350 -0.000 0.000 0.267 715 T C 0.426 175.126 174.700 -0.000 0.000 1.039 715 T CA 2.434 64.531 62.100 -0.004 0.000 1.142 715 T CB -0.240 68.624 68.868 -0.008 0.000 0.866 715 T HN 0.945 nan 8.240 nan 0.000 0.444 716 D N -0.292 120.108 120.400 -0.000 0.000 2.389 716 D HA 0.274 4.914 4.640 -0.000 0.000 0.256 716 D C 0.530 176.834 176.300 0.007 0.000 1.239 716 D CA -0.400 53.602 54.000 0.003 0.000 0.925 716 D CB 0.286 41.085 40.800 -0.002 0.000 1.145 716 D HN 0.098 nan 8.370 nan 0.000 0.542 717 I N 3.024 123.602 120.570 0.015 0.000 2.614 717 I HA -0.172 3.998 4.170 -0.000 0.000 0.258 717 I C 1.295 177.428 176.117 0.026 0.000 1.189 717 I CA 0.726 62.040 61.300 0.023 0.000 1.462 717 I CB 0.466 38.486 38.000 0.033 0.000 1.092 717 I HN 0.249 nan 8.210 nan 0.000 0.442 718 V N 0.961 120.887 119.914 0.020 0.000 2.407 718 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 718 V C 2.649 178.744 176.094 0.002 0.000 1.055 718 V CA 1.987 64.297 62.300 0.017 0.000 1.049 718 V CB -0.868 30.961 31.823 0.009 0.000 0.662 718 V HN 0.676 nan 8.190 nan 0.000 0.455 719 S N 1.519 117.216 115.700 -0.005 0.000 2.382 719 S HA -0.184 4.286 4.470 -0.000 0.000 0.228 719 S C 1.977 176.567 174.600 -0.017 0.000 1.027 719 S CA 1.833 60.023 58.200 -0.016 0.000 0.991 719 S CB -0.731 62.459 63.200 -0.018 0.000 0.823 719 S HN 0.737 nan 8.310 nan 0.000 0.469 720 I N -0.165 120.402 120.570 -0.005 0.000 2.500 720 I HA 0.232 4.402 4.170 -0.000 0.000 0.252 720 I C 2.664 178.792 176.117 0.018 0.000 1.142 720 I CA 0.854 62.153 61.300 -0.002 0.000 1.451 720 I CB -0.881 37.122 38.000 0.004 0.000 1.093 720 I HN 0.325 nan 8.210 nan 0.000 0.430 721 A N 2.067 124.911 122.820 0.040 0.000 1.898 721 A HA -0.194 4.126 4.320 -0.000 0.000 0.216 721 A C 2.614 180.215 177.584 0.027 0.000 1.181 721 A CA 1.782 53.874 52.037 0.093 0.000 0.620 721 A CB -0.716 18.357 19.000 0.121 0.000 0.819 721 A HN 0.499 nan 8.150 nan 0.000 0.442 722 R N -0.328 120.149 120.500 -0.039 0.000 2.092 722 R HA -0.057 4.283 4.340 -0.000 0.000 0.231 722 R C 2.192 178.426 176.300 -0.110 0.000 1.119 722 R CA 1.363 57.392 56.100 -0.118 0.000 0.970 722 R CB -0.381 29.863 30.300 -0.093 0.000 0.864 722 R HN 0.418 nan 8.270 nan 0.000 0.440 723 A N 0.702 123.484 122.820 -0.064 0.000 1.933 723 A HA -0.068 4.252 4.320 -0.000 0.000 0.218 723 A C 2.329 179.881 177.584 -0.053 0.000 1.175 723 A CA 1.546 53.546 52.037 -0.062 0.000 0.628 723 A CB -0.663 18.305 19.000 -0.054 0.000 0.814 723 A HN 0.534 nan 8.150 nan 0.000 0.444 724 A N -0.271 122.542 122.820 -0.013 0.000 1.898 724 A HA -0.131 4.189 4.320 -0.000 0.000 0.216 724 A C 2.126 179.727 177.584 0.028 0.000 1.181 724 A CA 1.896 53.960 52.037 0.045 0.000 0.620 724 A CB -0.424 18.656 19.000 0.133 0.000 0.819 724 A HN 0.533 nan 8.150 nan 0.000 0.442 725 K N -0.069 120.272 120.400 -0.098 0.000 2.057 725 K HA -0.174 4.146 4.320 -0.000 0.000 0.207 725 K C 1.826 178.313 176.600 -0.188 0.000 1.049 725 K CA 1.663 57.756 56.287 -0.323 0.000 0.931 725 K CB -0.166 31.794 32.500 -0.900 0.000 0.714 725 K HN 0.629 nan 8.250 nan 0.000 0.440 726 E N -0.853 119.256 120.200 -0.150 0.000 2.204 726 E HA -0.112 4.238 4.350 -0.000 0.000 0.194 726 E C 1.793 178.357 176.600 -0.060 0.000 0.989 726 E CA 0.929 57.268 56.400 -0.102 0.000 0.824 726 E CB -0.022 29.623 29.700 -0.091 0.000 0.756 726 E HN 0.495 nan 8.360 nan 0.000 0.477 727 G N -0.073 108.701 108.800 -0.043 0.000 2.744 727 G HA2 0.093 4.052 3.960 -0.000 0.000 0.211 727 G HA3 0.093 4.052 3.960 -0.000 0.000 0.211 727 G C 1.055 175.990 174.900 0.059 0.000 1.143 727 G CA 0.372 45.463 45.100 -0.014 0.000 0.788 727 G HN 0.410 nan 8.290 nan 0.000 0.534 728 G N -1.515 107.307 108.800 0.038 0.000 2.168 728 G HA2 0.181 4.141 3.960 -0.000 0.000 0.197 728 G HA3 0.181 4.141 3.960 -0.000 0.000 0.197 728 G C 0.474 175.308 174.900 -0.110 0.000 0.997 728 G CA 0.133 45.259 45.100 0.044 0.000 0.658 728 G HN 1.232 nan 8.290 nan 0.000 0.513 729 A N 0.263 122.984 122.820 -0.165 0.000 2.483 729 A HA 0.513 4.833 4.320 -0.000 0.000 0.238 729 A C 1.067 178.452 177.584 -0.331 0.000 1.070 729 A CA 0.794 52.450 52.037 -0.636 0.000 0.770 729 A CB 0.284 19.215 19.000 -0.114 0.000 1.008 729 A HN 0.222 nan 8.150 nan 0.000 0.497 730 D N 0.702 120.745 120.400 -0.594 0.000 2.340 730 D HA 0.283 4.923 4.640 -0.000 0.000 0.220 730 D C 0.820 177.040 176.300 -0.134 0.000 1.039 730 D CA 1.525 55.381 54.000 -0.240 0.000 0.866 730 D CB 0.415 40.999 40.800 -0.360 0.000 0.913 730 D HN 0.831 nan 8.370 nan 0.000 0.523 731 G N -0.085 108.575 108.800 -0.234 0.000 2.315 731 G HA2 0.352 4.312 3.960 -0.000 0.000 0.294 731 G HA3 0.352 4.312 3.960 -0.000 0.000 0.294 731 G C -1.569 173.174 174.900 -0.262 0.000 1.300 731 G CA -0.293 44.380 45.100 -0.712 0.000 0.843 731 G HN 0.102 nan 8.290 nan 0.000 0.527 732 V N -3.080 116.638 119.914 -0.326 0.000 3.007 732 V HA 0.926 5.046 4.120 -0.000 0.000 0.311 732 V C -0.321 175.711 176.094 -0.105 0.000 1.120 732 V CA -0.767 61.498 62.300 -0.057 0.000 0.980 732 V CB 1.647 33.506 31.823 0.060 0.000 1.033 732 V HN 0.988 nan 8.190 nan 0.000 0.429 733 T N 3.233 117.773 114.554 -0.022 0.000 2.749 733 T HA 0.782 5.132 4.350 -0.000 0.000 0.287 733 T C -0.021 174.678 174.700 -0.002 0.000 0.970 733 T CA 0.220 62.294 62.100 -0.043 0.000 0.980 733 T CB 1.105 69.974 68.868 0.003 0.000 0.924 733 T HN 1.412 nan 8.240 nan 0.000 0.456 734 A N 3.470 126.284 122.820 -0.009 0.000 2.332 734 A HA 0.805 5.125 4.320 -0.000 0.000 0.300 734 A C 0.324 177.925 177.584 0.027 0.000 1.153 734 A CA -0.737 51.318 52.037 0.029 0.000 0.764 734 A CB 0.784 19.815 19.000 0.052 0.000 1.174 734 A HN 0.844 nan 8.150 nan 0.000 0.467 735 T N -0.532 114.041 114.554 0.032 0.000 2.778 735 T HA 0.515 4.865 4.350 -0.000 0.000 0.293 735 T C -0.130 174.593 174.700 0.038 0.000 1.144 735 T CA -0.877 61.248 62.100 0.042 0.000 1.010 735 T CB 1.130 70.033 68.868 0.058 0.000 1.325 735 T HN 0.443 nan 8.240 nan 0.000 0.515 736 N N 0.461 119.188 118.700 0.044 0.000 2.374 736 N HA 0.337 5.077 4.740 -0.000 0.000 0.284 736 N C 0.165 175.709 175.510 0.057 0.000 1.280 736 N CA 0.163 53.241 53.050 0.046 0.000 0.963 736 N CB 1.113 39.626 38.487 0.043 0.000 1.141 736 N HN 0.975 nan 8.380 nan 0.000 0.565 737 T N -1.622 112.973 114.554 0.068 0.000 2.856 737 T HA 0.252 4.602 4.350 -0.000 0.000 0.306 737 T C 0.423 175.172 174.700 0.081 0.000 1.062 737 T CA -0.655 61.495 62.100 0.084 0.000 1.083 737 T CB 0.308 69.244 68.868 0.113 0.000 0.984 737 T HN 0.120 nan 8.240 nan 0.000 0.542 738 V N 2.576 122.536 119.914 0.076 0.000 2.498 738 V HA 0.314 4.434 4.120 -0.000 0.000 0.279 738 V C 0.919 177.051 176.094 0.063 0.000 1.048 738 V CA -0.647 61.689 62.300 0.060 0.000 0.967 738 V CB 1.310 33.163 31.823 0.050 0.000 0.988 738 V HN 1.116 nan 8.190 nan 0.000 0.473 739 S N 3.524 119.254 115.700 0.050 0.000 2.516 739 S HA 0.571 5.041 4.470 -0.000 0.000 0.282 739 S C 0.300 174.910 174.600 0.016 0.000 1.286 739 S CA 0.438 58.665 58.200 0.045 0.000 1.066 739 S CB -0.162 63.040 63.200 0.004 0.000 0.884 739 S HN 1.208 nan 8.310 nan 0.000 0.491 740 G N 2.929 111.758 108.800 0.048 0.000 2.548 740 G HA2 0.548 4.508 3.960 -0.000 0.000 0.301 740 G HA3 0.548 4.508 3.960 -0.000 0.000 0.301 740 G C -2.121 172.847 174.900 0.113 0.000 1.349 740 G CA -0.769 44.361 45.100 0.049 0.000 0.792 740 G HN 0.758 nan 8.290 nan 0.000 0.481 741 L N 0.470 121.756 121.223 0.105 0.000 2.404 741 L HA 0.499 4.839 4.340 -0.000 0.000 0.272 741 L C 1.040 177.952 176.870 0.069 0.000 0.980 741 L CA -0.808 54.101 54.840 0.116 0.000 0.836 741 L CB 2.015 44.174 42.059 0.167 0.000 1.238 741 L HN 0.610 nan 8.230 nan 0.000 0.408 742 M N 2.958 122.590 119.600 0.053 0.000 2.557 742 M HA 0.381 4.861 4.480 -0.000 0.000 0.259 742 M C 0.557 176.897 176.300 0.067 0.000 1.086 742 M CA 0.817 56.148 55.300 0.052 0.000 1.096 742 M CB -0.366 32.265 32.600 0.051 0.000 1.424 742 M HN 0.649 nan 8.290 nan 0.000 0.488 743 G N -0.989 107.858 108.800 0.078 0.000 2.351 743 G HA2 0.275 4.235 3.960 -0.000 0.000 0.353 743 G HA3 0.275 4.235 3.960 -0.000 0.000 0.353 743 G C -1.945 173.015 174.900 0.100 0.000 1.358 743 G CA -0.952 44.196 45.100 0.080 0.000 0.995 743 G HN 0.250 nan 8.290 nan 0.000 0.611 744 L N 0.007 121.278 121.223 0.080 0.000 2.333 744 L HA 0.623 4.963 4.340 -0.000 0.000 0.263 744 L C 0.388 177.294 176.870 0.059 0.000 1.014 744 L CA -1.345 53.542 54.840 0.078 0.000 0.820 744 L CB 2.117 44.209 42.059 0.055 0.000 1.352 744 L HN 0.450 nan 8.230 nan 0.000 0.421 745 K N 0.443 120.874 120.400 0.051 0.000 2.120 745 K HA 0.333 4.653 4.320 -0.000 0.000 0.245 745 K C 0.870 177.477 176.600 0.013 0.000 1.024 745 K CA -0.039 56.258 56.287 0.017 0.000 0.906 745 K CB 0.964 33.464 32.500 0.001 0.000 1.051 745 K HN 0.750 nan 8.250 nan 0.000 0.491 746 A N 1.249 124.070 122.820 0.000 0.000 2.076 746 A HA -0.177 4.143 4.320 -0.000 0.000 0.220 746 A C 1.221 178.806 177.584 0.002 0.000 1.160 746 A CA 2.008 54.045 52.037 0.000 0.000 0.653 746 A CB -0.532 18.464 19.000 -0.007 0.000 0.801 746 A HN 0.784 nan 8.150 nan 0.000 0.455 747 D N -2.559 117.842 120.400 0.002 0.000 2.340 747 D HA 0.285 4.925 4.640 -0.000 0.000 0.220 747 D C 1.163 177.470 176.300 0.011 0.000 1.039 747 D CA 0.899 54.901 54.000 0.004 0.000 0.866 747 D CB -0.461 40.340 40.800 0.001 0.000 0.913 747 D HN 0.705 nan 8.370 nan 0.000 0.523 748 G N 0.190 109.001 108.800 0.017 0.000 2.217 748 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.246 748 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.246 748 G C 0.527 175.445 174.900 0.031 0.000 0.990 748 G CA 0.389 45.502 45.100 0.022 0.000 0.627 748 G HN 0.778 nan 8.290 nan 0.000 0.522 749 T N 0.871 115.447 114.554 0.038 0.000 2.913 749 T HA 0.625 4.975 4.350 -0.000 0.000 0.297 749 T C -1.727 173.025 174.700 0.088 0.000 1.029 749 T CA -0.816 61.317 62.100 0.056 0.000 1.104 749 T CB 2.623 71.527 68.868 0.061 0.000 0.964 749 T HN 0.303 nan 8.240 nan 0.000 0.532 750 P HA 0.280 nan 4.420 nan 0.000 0.281 750 P C -1.187 176.276 177.300 0.272 0.000 1.281 750 P CA -0.888 62.291 63.100 0.131 0.000 0.811 750 P CB 1.153 32.886 31.700 0.054 0.000 1.154 751 W N 2.221 123.520 121.300 -0.002 0.000 3.036 751 W HA 0.262 4.922 4.660 -0.000 0.000 0.337 751 W C -2.665 173.856 176.519 0.003 0.000 1.055 751 W CA -2.258 55.090 57.345 0.005 0.000 1.248 751 W CB 2.321 31.790 29.460 0.015 0.000 1.335 751 W HN 0.277 nan 8.180 nan 0.000 0.446 752 P HA 0.264 nan 4.420 nan 0.000 0.271 752 P C -0.942 176.177 177.300 -0.302 0.000 1.218 752 P CA 0.079 62.654 63.100 -0.875 0.000 0.780 752 P CB 1.646 32.915 31.700 -0.718 0.000 0.901 753 A N 2.805 125.521 122.820 -0.174 0.000 2.335 753 A HA 0.543 4.863 4.320 -0.000 0.000 0.304 753 A C -0.659 176.922 177.584 -0.004 0.000 1.118 753 A CA -0.660 51.400 52.037 0.038 0.000 0.757 753 A CB 1.115 20.254 19.000 0.232 0.000 1.188 753 A HN 0.315 nan 8.150 nan 0.000 0.460 754 V N 2.380 122.278 119.914 -0.026 0.000 2.435 754 V HA 0.771 4.891 4.120 -0.000 0.000 0.290 754 V C 0.952 177.047 176.094 0.002 0.000 1.030 754 V CA 0.743 63.028 62.300 -0.024 0.000 0.881 754 V CB 0.653 32.447 31.823 -0.049 0.000 0.983 754 V HN 2.129 nan 8.190 nan 0.000 0.445 755 G N 4.042 112.850 108.800 0.013 0.000 2.855 755 G HA2 0.114 4.074 3.960 -0.000 0.000 0.352 755 G HA3 0.114 4.074 3.960 -0.000 0.000 0.352 755 G C 0.812 175.727 174.900 0.025 0.000 1.415 755 G CA 0.022 45.132 45.100 0.016 0.000 0.871 755 G HN 1.521 nan 8.290 nan 0.000 0.543 756 A N -0.618 122.214 122.820 0.020 0.000 2.019 756 A HA 0.288 4.608 4.320 -0.000 0.000 0.219 756 A C 2.728 180.324 177.584 0.020 0.000 1.164 756 A CA 2.429 54.478 52.037 0.021 0.000 0.644 756 A CB -0.685 18.324 19.000 0.014 0.000 0.805 756 A HN 2.349 nan 8.150 nan 0.000 0.449 757 G N -0.978 107.831 108.800 0.014 0.000 2.848 757 G HA2 0.108 4.068 3.960 -0.000 0.000 0.208 757 G HA3 0.108 4.068 3.960 -0.000 0.000 0.208 757 G C 0.605 175.515 174.900 0.016 0.000 1.152 757 G CA 0.351 45.458 45.100 0.011 0.000 0.789 757 G HN 0.562 nan 8.290 nan 0.000 0.531 758 K N -0.015 120.401 120.400 0.027 0.000 3.278 758 K HA -0.199 4.121 4.320 -0.000 0.000 0.270 758 K C 0.210 176.823 176.600 0.023 0.000 0.955 758 K CA 0.465 56.778 56.287 0.043 0.000 0.723 758 K CB -1.019 31.514 32.500 0.056 0.000 1.382 758 K HN 0.476 nan 8.250 nan 0.000 0.461 759 R N -0.017 120.483 120.500 -0.000 0.000 2.549 759 R HA 0.543 4.883 4.340 -0.000 0.000 0.267 759 R C 0.488 176.759 176.300 -0.049 0.000 1.045 759 R CA -0.459 55.626 56.100 -0.025 0.000 1.115 759 R CB 1.691 31.973 30.300 -0.031 0.000 1.121 759 R HN 0.196 nan 8.270 nan 0.000 0.543 760 T N -1.030 113.477 114.554 -0.080 0.000 2.711 760 T HA 0.378 4.728 4.350 -0.000 0.000 0.302 760 T C -1.418 173.182 174.700 -0.167 0.000 1.373 760 T CA -0.391 61.640 62.100 -0.116 0.000 1.000 760 T CB 2.072 70.874 68.868 -0.110 0.000 1.483 760 T HN 0.550 nan 8.240 nan 0.000 0.499 761 T N 0.133 114.567 114.554 -0.199 0.000 2.843 761 T HA 0.625 4.975 4.350 -0.000 0.000 0.302 761 T C -1.455 173.090 174.700 -0.258 0.000 1.232 761 T CA -0.512 61.418 62.100 -0.283 0.000 1.009 761 T CB 0.607 69.386 68.868 -0.149 0.000 1.254 761 T HN 0.505 nan 8.240 nan 0.000 0.504 762 Y N 1.002 121.283 120.300 -0.031 0.000 2.712 762 Y HA 0.409 4.959 4.550 -0.000 0.000 0.333 762 Y C 1.393 177.223 175.900 -0.117 0.000 1.225 762 Y CA 0.374 58.451 58.100 -0.039 0.000 1.499 762 Y CB 0.440 38.905 38.460 0.008 0.000 1.288 762 Y HN 0.765 nan 8.280 nan 0.000 0.575 763 G N 0.839 109.631 108.800 -0.014 0.000 3.075 763 G HA2 0.605 4.565 3.960 -0.000 0.000 0.253 763 G HA3 0.605 4.565 3.960 -0.000 0.000 0.253 763 G C -0.726 174.142 174.900 -0.053 0.000 1.353 763 G CA -0.730 44.194 45.100 -0.292 0.000 1.051 763 G HN 0.814 nan 8.290 nan 0.000 0.553 764 G N -0.987 107.794 108.800 -0.031 0.000 2.417 764 G HA2 0.507 4.467 3.960 -0.000 0.000 0.320 764 G HA3 0.507 4.467 3.960 -0.000 0.000 0.320 764 G C -0.801 174.153 174.900 0.090 0.000 1.204 764 G CA -0.238 44.940 45.100 0.130 0.000 0.923 764 G HN 0.572 nan 8.290 nan 0.000 0.466 765 V N 2.182 122.147 119.914 0.085 0.000 2.465 765 V HA 0.614 4.734 4.120 -0.000 0.000 0.279 765 V C 0.567 176.720 176.094 0.099 0.000 1.045 765 V CA -0.339 62.010 62.300 0.083 0.000 0.938 765 V CB 0.820 32.679 31.823 0.060 0.000 0.986 765 V HN 0.994 nan 8.190 nan 0.000 0.467 766 S N 2.930 118.707 115.700 0.128 0.000 2.704 766 S HA 1.019 5.489 4.470 -0.000 0.000 0.296 766 S C -0.052 174.641 174.600 0.156 0.000 1.138 766 S CA -0.097 58.187 58.200 0.139 0.000 0.875 766 S CB 1.990 65.284 63.200 0.156 0.000 1.151 766 S HN 2.131 nan 8.310 nan 0.000 0.500 767 G N 0.401 109.291 108.800 0.151 0.000 2.549 767 G HA2 -0.038 3.922 3.960 -0.000 0.000 0.404 767 G HA3 -0.038 3.922 3.960 -0.000 0.000 0.404 767 G C 0.578 175.537 174.900 0.098 0.000 1.292 767 G CA 0.563 45.748 45.100 0.142 0.000 0.935 767 G HN 1.933 nan 8.290 nan 0.000 0.512 768 T N -1.726 112.877 114.554 0.081 0.000 2.849 768 T HA 0.158 4.508 4.350 -0.000 0.000 0.270 768 T C 2.583 177.319 174.700 0.059 0.000 1.066 768 T CA 2.502 64.647 62.100 0.076 0.000 1.130 768 T CB -0.373 68.530 68.868 0.059 0.000 0.864 768 T HN 2.106 nan 8.240 nan 0.000 0.481 769 A N 2.040 124.882 122.820 0.037 0.000 2.019 769 A HA 0.159 4.479 4.320 -0.000 0.000 0.219 769 A C 2.292 179.902 177.584 0.044 0.000 1.164 769 A CA 1.349 53.402 52.037 0.026 0.000 0.644 769 A CB -0.813 18.191 19.000 0.006 0.000 0.805 769 A HN 0.905 nan 8.150 nan 0.000 0.449 770 I N -4.636 115.973 120.570 0.065 0.000 3.956 770 I HA 0.262 4.432 4.170 -0.000 0.000 0.333 770 I C 1.794 177.975 176.117 0.107 0.000 1.302 770 I CA 0.138 61.484 61.300 0.076 0.000 1.122 770 I CB -0.020 38.027 38.000 0.077 0.000 1.013 770 I HN 0.168 nan 8.210 nan 0.000 0.405 771 R N 2.164 122.741 120.500 0.128 0.000 2.091 771 R HA -0.085 4.255 4.340 -0.000 0.000 0.238 771 R C -0.544 175.840 176.300 0.139 0.000 1.136 771 R CA 2.055 58.276 56.100 0.201 0.000 0.959 771 R CB -1.207 29.214 30.300 0.202 0.000 0.856 771 R HN 0.314 nan 8.270 nan 0.000 0.437 772 P HA -0.127 nan 4.420 nan 0.000 0.218 772 P C 1.024 178.348 177.300 0.040 0.000 1.148 772 P CA 1.311 64.430 63.100 0.031 0.000 0.822 772 P CB 0.008 31.723 31.700 0.024 0.000 0.784 773 I N -1.056 119.552 120.570 0.063 0.000 2.286 773 I HA -0.169 4.001 4.170 -0.000 0.000 0.245 773 I C 2.296 178.467 176.117 0.091 0.000 1.104 773 I CA 1.213 62.551 61.300 0.063 0.000 1.397 773 I CB -0.697 37.339 38.000 0.060 0.000 1.072 773 I HN -0.100 nan 8.210 nan 0.000 0.417 774 A N 0.774 123.683 122.820 0.149 0.000 1.898 774 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 774 A C 2.320 180.063 177.584 0.265 0.000 1.181 774 A CA 1.173 53.352 52.037 0.236 0.000 0.620 774 A CB -0.739 18.458 19.000 0.328 0.000 0.819 774 A HN 0.345 nan 8.150 nan 0.000 0.442 775 L N -0.916 120.372 121.223 0.109 0.000 2.046 775 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 775 L C 2.850 179.684 176.870 -0.060 0.000 1.077 775 L CA 1.767 56.499 54.840 -0.180 0.000 0.747 775 L CB -0.376 41.481 42.059 -0.336 0.000 0.896 775 L HN 0.528 nan 8.230 nan 0.000 0.432 776 R N 0.153 120.649 120.500 -0.007 0.000 2.073 776 R HA -0.180 4.160 4.340 -0.000 0.000 0.234 776 R C 2.284 178.602 176.300 0.030 0.000 1.134 776 R CA 1.475 57.580 56.100 0.007 0.000 0.952 776 R CB -0.253 30.057 30.300 0.017 0.000 0.850 776 R HN 0.319 nan 8.270 nan 0.000 0.433 777 A N 0.509 123.363 122.820 0.056 0.000 1.883 777 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 777 A C 2.306 179.933 177.584 0.072 0.000 1.186 777 A CA 1.741 53.817 52.037 0.065 0.000 0.624 777 A CB -0.685 18.363 19.000 0.080 0.000 0.822 777 A HN 0.243 nan 8.150 nan 0.000 0.444 778 V N 0.585 120.558 119.914 0.098 0.000 2.295 778 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 778 V C 3.075 179.203 176.094 0.056 0.000 1.049 778 V CA 2.556 64.915 62.300 0.100 0.000 1.024 778 V CB -1.363 30.571 31.823 0.185 0.000 0.648 778 V HN 0.874 nan 8.190 nan 0.000 0.447 779 T N -1.442 113.127 114.554 0.026 0.000 2.821 779 T HA -0.230 4.120 4.350 -0.000 0.000 0.267 779 T C 1.956 176.669 174.700 0.023 0.000 1.046 779 T CA 2.162 64.271 62.100 0.014 0.000 1.139 779 T CB -0.830 68.035 68.868 -0.006 0.000 0.871 779 T HN 0.619 nan 8.240 nan 0.000 0.454 780 T N 0.318 114.888 114.554 0.026 0.000 2.857 780 T HA 0.103 4.453 4.350 -0.000 0.000 0.266 780 T C 2.066 176.786 174.700 0.034 0.000 1.048 780 T CA 0.810 62.926 62.100 0.026 0.000 1.139 780 T CB -0.763 68.120 68.868 0.025 0.000 0.874 780 T HN 0.475 nan 8.240 nan 0.000 0.455 781 I N 1.680 122.279 120.570 0.048 0.000 2.252 781 I HA -0.016 4.154 4.170 -0.000 0.000 0.245 781 I C 3.220 179.381 176.117 0.073 0.000 1.102 781 I CA 1.073 62.414 61.300 0.068 0.000 1.385 781 I CB -0.577 37.478 38.000 0.091 0.000 1.064 781 I HN 0.364 nan 8.210 nan 0.000 0.414 782 A N 0.904 123.760 122.820 0.059 0.000 1.933 782 A HA -0.198 4.122 4.320 -0.000 0.000 0.218 782 A C 2.371 179.977 177.584 0.037 0.000 1.175 782 A CA 1.503 53.571 52.037 0.052 0.000 0.628 782 A CB -0.505 18.517 19.000 0.036 0.000 0.814 782 A HN 0.346 nan 8.150 nan 0.000 0.444 783 R N -0.846 119.669 120.500 0.025 0.000 2.093 783 R HA 0.090 4.430 4.340 -0.000 0.000 0.224 783 R C 2.422 178.727 176.300 0.009 0.000 1.101 783 R CA 0.990 57.097 56.100 0.011 0.000 0.979 783 R CB -0.322 29.981 30.300 0.006 0.000 0.877 783 R HN 0.485 nan 8.270 nan 0.000 0.441 784 A N 0.969 123.797 122.820 0.014 0.000 1.930 784 A HA 0.039 4.359 4.320 -0.000 0.000 0.215 784 A C 1.221 178.802 177.584 -0.005 0.000 1.176 784 A CA 0.773 52.812 52.037 0.003 0.000 0.632 784 A CB 0.126 19.128 19.000 0.003 0.000 0.819 784 A HN 0.144 nan 8.150 nan 0.000 0.445 785 L N 1.487 122.722 121.223 0.019 0.000 2.637 785 L HA 0.270 4.610 4.340 -0.000 0.000 0.241 785 L C -2.584 174.327 176.870 0.069 0.000 1.398 785 L CA -1.862 52.986 54.840 0.014 0.000 0.895 785 L CB 1.117 43.177 42.059 0.002 0.000 1.183 785 L HN 0.095 nan 8.230 nan 0.000 0.497 786 P HA 0.009 nan 4.420 nan 0.000 0.262 786 P C 0.987 178.326 177.300 0.065 0.000 1.182 786 P CA 1.177 64.303 63.100 0.043 0.000 0.761 786 P CB 1.298 33.007 31.700 0.015 0.000 0.795 787 G N 2.540 111.382 108.800 0.070 0.000 2.253 787 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.251 787 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.251 787 G C -0.114 174.869 174.900 0.138 0.000 0.998 787 G CA -0.229 44.917 45.100 0.076 0.000 0.621 787 G HN 0.540 nan 8.290 nan 0.000 0.524 788 F N 4.035 123.972 119.950 -0.021 0.000 2.471 788 F HA 0.553 5.080 4.527 -0.000 0.000 0.365 788 F C -1.620 174.163 175.800 -0.028 0.000 1.095 788 F CA -2.965 55.023 58.000 -0.021 0.000 1.174 788 F CB 0.603 39.590 39.000 -0.021 0.000 1.105 788 F HN -0.066 nan 8.300 nan 0.000 0.535 789 P HA 0.072 nan 4.420 nan 0.000 0.261 789 P C -0.744 176.268 177.300 -0.481 0.000 1.173 789 P CA 0.693 63.569 63.100 -0.374 0.000 0.760 789 P CB 0.271 31.779 31.700 -0.320 0.000 0.783 790 I N 3.891 124.264 120.570 -0.327 0.000 2.466 790 I HA 0.247 4.417 4.170 -0.000 0.000 0.289 790 I C -0.569 175.370 176.117 -0.295 0.000 1.026 790 I CA -0.890 60.248 61.300 -0.270 0.000 1.078 790 I CB 1.637 39.565 38.000 -0.120 0.000 1.249 790 I HN 0.034 nan 8.210 nan 0.000 0.429 791 L N 6.309 127.338 121.223 -0.324 0.000 2.262 791 L HA 0.608 4.948 4.340 -0.000 0.000 0.288 791 L C 0.448 177.217 176.870 -0.169 0.000 1.035 791 L CA -0.016 54.639 54.840 -0.309 0.000 0.820 791 L CB 1.335 43.163 42.059 -0.384 0.000 1.204 791 L HN 0.635 nan 8.230 nan 0.000 0.424 792 A N 2.274 125.001 122.820 -0.155 0.000 2.316 792 A HA 0.755 5.075 4.320 -0.000 0.000 0.284 792 A C 0.132 177.558 177.584 -0.263 0.000 1.115 792 A CA -0.232 51.694 52.037 -0.186 0.000 0.812 792 A CB 0.873 19.737 19.000 -0.227 0.000 1.064 792 A HN 0.608 nan 8.150 nan 0.000 0.489 793 T N -0.218 114.173 114.554 -0.271 0.000 3.193 793 T HA 0.591 4.941 4.350 -0.000 0.000 0.332 793 T C -0.550 174.047 174.700 -0.172 0.000 1.208 793 T CA 0.480 62.454 62.100 -0.210 0.000 1.080 793 T CB 0.773 69.600 68.868 -0.068 0.000 1.180 793 T HN 2.441 nan 8.240 nan 0.000 0.469 794 G N 1.647 110.347 108.800 -0.166 0.000 2.246 794 G HA2 0.468 4.428 3.960 -0.000 0.000 0.196 794 G HA3 0.468 4.428 3.960 -0.000 0.000 0.196 794 G C 0.744 175.669 174.900 0.042 0.000 2.264 794 G CA 0.456 45.546 45.100 -0.017 0.000 1.089 794 G HN 2.090 nan 8.290 nan 0.000 0.599 795 G N 0.018 108.851 108.800 0.056 0.000 2.136 795 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.242 795 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.242 795 G C 0.448 175.408 174.900 0.099 0.000 0.989 795 G CA 0.253 45.417 45.100 0.107 0.000 0.682 795 G HN 1.374 nan 8.290 nan 0.000 0.522 796 I N 1.751 122.320 120.570 -0.001 0.000 2.363 796 I HA 0.306 4.476 4.170 -0.000 0.000 0.292 796 I C 0.419 176.534 176.117 -0.004 0.000 1.075 796 I CA 0.128 61.414 61.300 -0.023 0.000 1.333 796 I CB 0.889 38.799 38.000 -0.150 0.000 1.415 796 I HN 0.264 nan 8.210 nan 0.000 0.502 797 D N 3.594 123.983 120.400 -0.018 0.000 2.636 797 D HA 0.134 4.774 4.640 -0.000 0.000 0.270 797 D C -0.172 176.088 176.300 -0.066 0.000 1.430 797 D CA -0.205 53.807 54.000 0.021 0.000 0.796 797 D CB 0.352 41.224 40.800 0.119 0.000 1.117 797 D HN 0.468 nan 8.370 nan 0.000 0.480 798 S N -2.247 113.241 115.700 -0.353 0.000 2.645 798 S HA 0.579 5.049 4.470 -0.000 0.000 0.268 798 S C 0.735 175.173 174.600 -0.271 0.000 1.110 798 S CA -0.415 57.626 58.200 -0.265 0.000 0.823 798 S CB 0.904 64.102 63.200 -0.004 0.000 1.091 798 S HN 0.142 nan 8.310 nan 0.000 0.466 799 A N 0.864 123.632 122.820 -0.086 0.000 1.898 799 A HA -0.022 4.298 4.320 -0.000 0.000 0.216 799 A C 1.965 179.598 177.584 0.083 0.000 1.181 799 A CA 1.792 53.880 52.037 0.085 0.000 0.620 799 A CB -1.134 17.944 19.000 0.130 0.000 0.819 799 A HN 0.929 nan 8.150 nan 0.000 0.442 800 E N 0.817 121.046 120.200 0.047 0.000 2.038 800 E HA -0.226 4.124 4.350 -0.000 0.000 0.195 800 E C 2.250 178.886 176.600 0.060 0.000 1.000 800 E CA 2.181 58.611 56.400 0.049 0.000 0.803 800 E CB -0.224 29.498 29.700 0.036 0.000 0.750 800 E HN 0.682 nan 8.360 nan 0.000 0.448 801 S N -0.307 115.434 115.700 0.067 0.000 2.402 801 S HA -0.047 4.423 4.470 -0.000 0.000 0.229 801 S C 2.205 176.935 174.600 0.216 0.000 1.021 801 S CA 1.057 59.334 58.200 0.128 0.000 0.974 801 S CB -0.758 62.522 63.200 0.134 0.000 0.800 801 S HN 0.393 nan 8.310 nan 0.000 0.484 802 G N 1.988 110.875 108.800 0.144 0.000 2.418 802 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.217 802 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.217 802 G C 1.350 176.306 174.900 0.094 0.000 1.158 802 G CA 0.952 46.143 45.100 0.152 0.000 0.771 802 G HN 0.475 nan 8.290 nan 0.000 0.545 803 L N 0.559 121.797 121.223 0.025 0.000 2.131 803 L HA -0.040 4.300 4.340 -0.000 0.000 0.210 803 L C 2.811 179.597 176.870 -0.140 0.000 1.092 803 L CA 1.789 56.554 54.840 -0.125 0.000 0.759 803 L CB -0.599 41.376 42.059 -0.140 0.000 0.903 803 L HN 0.333 nan 8.230 nan 0.000 0.435 804 Q N -1.490 118.313 119.800 0.005 0.000 2.124 804 Q HA -0.210 4.130 4.340 -0.000 0.000 0.202 804 Q C 2.155 178.111 176.000 -0.073 0.000 0.977 804 Q CA 1.963 57.762 55.803 -0.007 0.000 0.850 804 Q CB -0.262 28.436 28.738 -0.066 0.000 0.901 804 Q HN 0.507 nan 8.270 nan 0.000 0.429 805 F N 0.308 120.246 119.950 -0.020 0.000 2.259 805 F HA -0.117 4.410 4.527 0.000 0.000 0.298 805 F C 1.980 177.752 175.800 -0.047 0.000 1.088 805 F CA 0.774 58.759 58.000 -0.025 0.000 1.358 805 F CB -0.065 38.911 39.000 -0.040 0.000 1.040 805 F HN 0.004 nan 8.300 nan 0.000 0.505 806 L N -1.014 120.248 121.223 0.066 0.000 2.027 806 L HA -0.246 4.094 4.340 -0.000 0.000 0.206 806 L C 2.284 179.171 176.870 0.029 0.000 1.074 806 L CA 1.598 56.422 54.840 -0.026 0.000 0.745 806 L CB -0.964 41.013 42.059 -0.135 0.000 0.898 806 L HN 0.206 nan 8.230 nan 0.000 0.433 807 H N -1.116 117.958 119.070 0.008 0.000 2.457 807 H HA -0.118 4.438 4.556 -0.000 0.000 0.297 807 H C 2.221 177.547 175.328 -0.005 0.000 1.092 807 H CA 0.979 57.029 56.048 0.005 0.000 1.309 807 H CB 0.250 30.018 29.762 0.010 0.000 1.382 807 H HN 0.244 nan 8.280 nan 0.000 0.535 808 S N -1.209 114.549 115.700 0.098 0.000 2.562 808 S HA 0.085 4.555 4.470 -0.000 0.000 0.221 808 S C 1.639 176.262 174.600 0.038 0.000 0.975 808 S CA 0.638 58.856 58.200 0.030 0.000 0.918 808 S CB 0.717 63.878 63.200 -0.064 0.000 0.772 808 S HN 0.782 nan 8.310 nan 0.000 0.531 809 G N 0.535 109.362 108.800 0.045 0.000 2.260 809 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.179 809 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.179 809 G C 0.114 175.014 174.900 0.001 0.000 1.002 809 G CA -0.277 44.838 45.100 0.025 0.000 0.677 809 G HN 0.710 nan 8.290 nan 0.000 0.486 810 A N 0.398 123.227 122.820 0.015 0.000 2.322 810 A HA 0.810 5.130 4.320 -0.000 0.000 0.269 810 A C 1.316 178.835 177.584 -0.107 0.000 1.094 810 A CA 1.085 53.098 52.037 -0.040 0.000 0.807 810 A CB 0.978 19.991 19.000 0.022 0.000 1.047 810 A HN 0.709 nan 8.150 nan 0.000 0.487 811 S N -0.837 114.744 115.700 -0.198 0.000 2.502 811 S HA 0.219 4.689 4.470 -0.000 0.000 0.228 811 S C 0.675 175.063 174.600 -0.354 0.000 1.061 811 S CA 0.769 58.818 58.200 -0.251 0.000 0.935 811 S CB 0.000 63.034 63.200 -0.278 0.000 0.809 811 S HN 1.198 nan 8.310 nan 0.000 0.510 812 V N -0.247 119.420 119.914 -0.413 0.000 3.102 812 V HA 0.721 4.841 4.120 -0.000 0.000 0.312 812 V C -1.503 174.461 176.094 -0.217 0.000 1.135 812 V CA -1.220 60.821 62.300 -0.432 0.000 1.022 812 V CB 1.691 33.009 31.823 -0.843 0.000 1.056 812 V HN 0.151 nan 8.190 nan 0.000 0.436 813 L N 1.854 123.032 121.223 -0.074 0.000 2.343 813 L HA 0.611 4.951 4.340 -0.000 0.000 0.278 813 L C -0.233 176.720 176.870 0.139 0.000 0.996 813 L CA -0.460 54.354 54.840 -0.043 0.000 0.831 813 L CB 1.642 43.610 42.059 -0.151 0.000 1.232 813 L HN 0.699 nan 8.230 nan 0.000 0.413 814 Q N 2.370 122.221 119.800 0.084 0.000 2.235 814 Q HA 0.674 5.014 4.340 -0.000 0.000 0.250 814 Q C -0.967 175.067 176.000 0.056 0.000 0.909 814 Q CA -0.659 55.198 55.803 0.091 0.000 0.910 814 Q CB 3.053 31.846 28.738 0.092 0.000 1.223 814 Q HN 0.416 nan 8.270 nan 0.000 0.432 815 V N 1.160 121.134 119.914 0.101 0.000 2.709 815 V HA 0.305 4.425 4.120 -0.000 0.000 0.308 815 V C -0.251 175.881 176.094 0.063 0.000 1.062 815 V CA -0.589 61.798 62.300 0.145 0.000 0.901 815 V CB 1.675 33.739 31.823 0.403 0.000 1.003 815 V HN 1.114 nan 8.190 nan 0.000 0.425 816 C N 2.172 121.511 119.300 0.065 0.000 3.066 816 C HA 0.103 4.563 4.460 -0.000 0.000 0.277 816 C C 2.620 177.630 174.990 0.033 0.000 2.279 816 C CA 1.279 60.308 59.018 0.018 0.000 1.720 816 C CB 0.532 28.272 27.740 -0.001 0.000 1.478 816 C HN 0.836 nan 8.230 nan 0.000 0.723 817 S N 1.695 117.442 115.700 0.080 0.000 2.387 817 S HA -0.124 4.346 4.470 -0.000 0.000 0.230 817 S C 1.983 176.713 174.600 0.215 0.000 1.035 817 S CA 1.786 60.084 58.200 0.163 0.000 1.014 817 S CB -0.617 62.776 63.200 0.320 0.000 0.836 817 S HN 0.872 nan 8.310 nan 0.000 0.466 818 A N 0.792 123.737 122.820 0.209 0.000 1.972 818 A HA -0.047 4.273 4.320 -0.000 0.000 0.219 818 A C 2.294 180.003 177.584 0.209 0.000 1.169 818 A CA 1.486 53.669 52.037 0.242 0.000 0.635 818 A CB -0.657 18.535 19.000 0.320 0.000 0.810 818 A HN 0.379 nan 8.150 nan 0.000 0.446 819 V N -0.395 119.619 119.914 0.167 0.000 2.488 819 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 819 V C 2.502 178.578 176.094 -0.031 0.000 1.046 819 V CA 1.876 64.225 62.300 0.083 0.000 1.053 819 V CB -0.801 31.055 31.823 0.055 0.000 0.679 819 V HN 0.619 nan 8.190 nan 0.000 0.458 820 Q N -0.009 119.749 119.800 -0.070 0.000 2.170 820 Q HA -0.180 4.160 4.340 -0.000 0.000 0.203 820 Q C 1.946 177.936 176.000 -0.017 0.000 0.976 820 Q CA 1.254 56.947 55.803 -0.182 0.000 0.858 820 Q CB -0.206 28.216 28.738 -0.526 0.000 0.907 820 Q HN 0.567 nan 8.270 nan 0.000 0.433 821 N N -0.513 118.272 118.700 0.143 0.000 2.494 821 N HA -0.071 4.669 4.740 -0.000 0.000 0.182 821 N C 0.993 176.564 175.510 0.102 0.000 1.076 821 N CA 0.756 53.934 53.050 0.213 0.000 0.908 821 N CB 0.518 39.150 38.487 0.241 0.000 0.967 821 N HN 0.192 nan 8.380 nan 0.000 0.449 822 Q N -0.166 119.665 119.800 0.052 0.000 2.209 822 Q HA 0.183 4.523 4.340 -0.000 0.000 0.201 822 Q C -1.471 174.501 176.000 -0.047 0.000 0.732 822 Q CA 0.073 55.885 55.803 0.015 0.000 0.555 822 Q CB 0.565 29.325 28.738 0.037 0.000 2.685 822 Q HN 0.200 nan 8.270 nan 0.000 0.224 823 D N -2.294 118.079 120.400 -0.045 0.000 2.792 823 D HA 0.181 4.821 4.640 -0.000 0.000 0.335 823 D C -0.260 176.056 176.300 0.027 0.000 1.353 823 D CA -0.604 53.314 54.000 -0.135 0.000 0.839 823 D CB -0.595 40.137 40.800 -0.113 0.000 1.396 823 D HN 0.245 nan 8.370 nan 0.000 0.479 824 F N -0.288 119.709 119.950 0.079 0.000 2.333 824 F HA -0.076 4.451 4.527 -0.000 0.000 0.300 824 F C 2.507 178.458 175.800 0.251 0.000 1.083 824 F CA 1.088 59.228 58.000 0.233 0.000 1.395 824 F CB -0.030 39.060 39.000 0.149 0.000 1.056 824 F HN 0.540 nan 8.300 nan 0.000 0.529 825 T N -1.989 112.706 114.554 0.235 0.000 3.051 825 T HA -0.122 4.228 4.350 -0.000 0.000 0.269 825 T C 1.842 176.472 174.700 -0.116 0.000 1.127 825 T CA 0.995 63.133 62.100 0.063 0.000 1.107 825 T CB -1.144 67.737 68.868 0.022 0.000 0.898 825 T HN 0.272 nan 8.240 nan 0.000 0.517 826 V N -0.626 119.186 119.914 -0.169 0.000 2.867 826 V HA -0.029 4.091 4.120 -0.000 0.000 0.260 826 V C 2.290 177.729 176.094 -1.092 0.000 1.099 826 V CA 1.104 63.068 62.300 -0.559 0.000 1.122 826 V CB -1.357 30.120 31.823 -0.576 0.000 0.708 826 V HN 0.447 nan 8.190 nan 0.000 0.490 827 I N 0.853 120.889 120.570 -0.889 0.000 2.361 827 I HA -0.209 3.961 4.170 -0.000 0.000 0.251 827 I C 2.492 178.224 176.117 -0.643 0.000 1.133 827 I CA 2.029 62.654 61.300 -1.126 0.000 1.413 827 I CB -0.630 36.550 38.000 -1.366 0.000 1.073 827 I HN 0.457 nan 8.210 nan 0.000 0.424 828 Q N 0.343 119.901 119.800 -0.402 0.000 2.124 828 Q HA -0.281 4.059 4.340 -0.000 0.000 0.202 828 Q C 1.832 177.714 176.000 -0.197 0.000 0.977 828 Q CA 2.351 58.022 55.803 -0.220 0.000 0.850 828 Q CB -0.389 28.270 28.738 -0.131 0.000 0.901 828 Q HN 0.679 nan 8.270 nan 0.000 0.429 829 D N -0.876 119.362 120.400 -0.269 0.000 2.117 829 D HA -0.151 4.489 4.640 -0.000 0.000 0.198 829 D C 1.832 178.096 176.300 -0.060 0.000 0.982 829 D CA 1.323 55.237 54.000 -0.143 0.000 0.828 829 D CB -0.308 40.405 40.800 -0.145 0.000 0.967 829 D HN 0.432 nan 8.370 nan 0.000 0.464 830 Y N -0.168 119.887 120.300 -0.407 0.000 2.181 830 Y HA -0.217 4.333 4.550 -0.000 0.000 0.288 830 Y C 2.817 178.454 175.900 -0.437 0.000 1.146 830 Y CA 0.500 58.189 58.100 -0.685 0.000 1.164 830 Y CB -0.320 37.182 38.460 -1.596 0.000 0.982 830 Y HN 0.188 nan 8.280 nan 0.000 0.515 831 C N -0.127 119.078 119.300 -0.159 0.000 2.453 831 C HA -0.175 4.285 4.460 -0.000 0.000 0.277 831 C C 2.985 178.041 174.990 0.110 0.000 1.262 831 C CA 1.820 60.874 59.018 0.061 0.000 1.718 831 C CB -1.270 26.485 27.740 0.025 0.000 2.031 831 C HN 0.675 nan 8.230 nan 0.000 0.480 832 T N -0.671 113.938 114.554 0.091 0.000 2.867 832 T HA -0.022 4.328 4.350 -0.000 0.000 0.268 832 T C 1.892 176.727 174.700 0.224 0.000 1.057 832 T CA 1.781 63.996 62.100 0.192 0.000 1.136 832 T CB -0.713 68.271 68.868 0.194 0.000 0.874 832 T HN 0.532 nan 8.240 nan 0.000 0.466 833 G N 1.412 110.308 108.800 0.161 0.000 2.404 833 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.215 833 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.215 833 G C 1.430 176.417 174.900 0.145 0.000 1.174 833 G CA 0.818 46.010 45.100 0.154 0.000 0.780 833 G HN 0.458 nan 8.290 nan 0.000 0.537 834 L N 0.617 121.945 121.223 0.175 0.000 2.093 834 L HA 0.125 4.465 4.340 -0.000 0.000 0.208 834 L C 2.701 179.643 176.870 0.121 0.000 1.085 834 L CA 1.800 56.745 54.840 0.176 0.000 0.755 834 L CB -0.457 41.772 42.059 0.284 0.000 0.904 834 L HN 0.130 nan 8.230 nan 0.000 0.435 835 K N -0.612 119.855 120.400 0.113 0.000 2.057 835 K HA -0.119 4.201 4.320 -0.000 0.000 0.207 835 K C 2.092 178.706 176.600 0.024 0.000 1.049 835 K CA 1.352 57.677 56.287 0.064 0.000 0.931 835 K CB -0.407 32.119 32.500 0.044 0.000 0.714 835 K HN 0.459 nan 8.250 nan 0.000 0.440 836 A N 1.504 124.315 122.820 -0.015 0.000 1.877 836 A HA -0.140 4.180 4.320 -0.000 0.000 0.216 836 A C 2.149 179.785 177.584 0.086 0.000 1.186 836 A CA 1.279 53.282 52.037 -0.057 0.000 0.620 836 A CB -0.681 18.315 19.000 -0.007 0.000 0.822 836 A HN 0.158 nan 8.150 nan 0.000 0.443 837 L N -0.640 120.642 121.223 0.098 0.000 2.083 837 L HA -0.187 4.153 4.340 -0.000 0.000 0.209 837 L C 2.539 179.463 176.870 0.089 0.000 1.083 837 L CA 1.065 55.967 54.840 0.102 0.000 0.752 837 L CB -0.473 41.639 42.059 0.088 0.000 0.899 837 L HN 0.386 nan 8.230 nan 0.000 0.433 838 L N -1.973 119.301 121.223 0.084 0.000 2.072 838 L HA -0.225 4.115 4.340 -0.000 0.000 0.205 838 L C 2.593 179.507 176.870 0.073 0.000 1.079 838 L CA 1.102 55.983 54.840 0.069 0.000 0.752 838 L CB -0.649 41.447 42.059 0.063 0.000 0.906 838 L HN 0.197 nan 8.230 nan 0.000 0.436 839 Y N 1.157 121.436 120.300 -0.035 0.000 2.145 839 Y HA -0.238 4.312 4.550 0.000 0.000 0.286 839 Y C 2.367 178.236 175.900 -0.053 0.000 1.145 839 Y CA 1.553 59.620 58.100 -0.054 0.000 1.148 839 Y CB -0.237 38.164 38.460 -0.099 0.000 0.981 839 Y HN -0.018 nan 8.280 nan 0.000 0.507 840 L N 0.300 121.561 121.223 0.064 0.000 2.261 840 L HA -0.235 4.105 4.340 -0.000 0.000 0.216 840 L C 2.095 178.895 176.870 -0.115 0.000 1.114 840 L CA 1.398 56.210 54.840 -0.047 0.000 0.777 840 L CB -0.523 41.561 42.059 0.041 0.000 0.910 840 L HN 0.201 nan 8.230 nan 0.000 0.440 841 K N -0.193 120.163 120.400 -0.073 0.000 2.439 841 K HA -0.067 4.253 4.320 -0.000 0.000 0.197 841 K C 1.986 178.516 176.600 -0.117 0.000 1.041 841 K CA 1.269 57.519 56.287 -0.061 0.000 0.970 841 K CB 0.003 32.498 32.500 -0.008 0.000 0.773 841 K HN 0.368 nan 8.250 nan 0.000 0.479 842 S N -0.075 115.504 115.700 -0.203 0.000 2.540 842 S HA 0.145 4.615 4.470 -0.000 0.000 0.218 842 S C 0.565 175.010 174.600 -0.258 0.000 0.977 842 S CA -0.424 57.643 58.200 -0.223 0.000 0.918 842 S CB 0.237 63.277 63.200 -0.266 0.000 0.806 842 S HN -0.039 nan 8.310 nan 0.000 0.496 843 I N 3.169 123.568 120.570 -0.286 0.000 2.281 843 I HA 0.309 4.479 4.170 -0.000 0.000 0.293 843 I C 1.425 177.374 176.117 -0.279 0.000 1.085 843 I CA -0.157 60.972 61.300 -0.285 0.000 1.257 843 I CB 0.499 38.335 38.000 -0.274 0.000 1.430 843 I HN 0.428 nan 8.210 nan 0.000 0.489 844 E N 5.607 125.651 120.200 -0.261 0.000 2.118 844 E HA -0.211 4.139 4.350 -0.000 0.000 0.195 844 E C 1.208 177.632 176.600 -0.294 0.000 0.992 844 E CA 1.346 57.606 56.400 -0.233 0.000 0.804 844 E CB 0.462 30.049 29.700 -0.189 0.000 0.741 844 E HN 0.614 nan 8.360 nan 0.000 0.458 845 E N 0.186 120.097 120.200 -0.481 0.000 2.511 845 E HA -0.108 4.242 4.350 -0.000 0.000 0.196 845 E C 1.220 177.549 176.600 -0.451 0.000 1.066 845 E CA 0.394 56.458 56.400 -0.559 0.000 0.871 845 E CB 0.081 29.142 29.700 -1.065 0.000 0.863 845 E HN 0.409 nan 8.360 nan 0.000 0.520 846 L N 1.072 122.036 121.223 -0.432 0.000 3.110 846 L HA 0.172 4.512 4.340 -0.000 0.000 0.266 846 L C 1.651 178.381 176.870 -0.232 0.000 1.257 846 L CA -0.192 54.342 54.840 -0.509 0.000 1.038 846 L CB 0.340 41.873 42.059 -0.876 0.000 1.395 846 L HN -0.125 nan 8.230 nan 0.000 0.566 847 Q N 0.401 120.134 119.800 -0.111 0.000 2.291 847 Q HA -0.046 4.294 4.340 -0.000 0.000 0.205 847 Q C 1.981 178.032 176.000 0.085 0.000 0.970 847 Q CA 1.311 57.102 55.803 -0.019 0.000 0.876 847 Q CB 0.146 28.860 28.738 -0.040 0.000 0.935 847 Q HN 0.618 nan 8.270 nan 0.000 0.455 848 G N -0.591 108.305 108.800 0.160 0.000 2.744 848 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.211 848 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.211 848 G C -0.218 174.876 174.900 0.324 0.000 1.143 848 G CA -0.339 44.889 45.100 0.212 0.000 0.788 848 G HN 0.097 nan 8.290 nan 0.000 0.534 849 W N 0.294 121.615 121.300 0.035 0.000 2.237 849 W HA 0.481 5.141 4.660 -0.000 0.000 0.335 849 W C -0.458 176.095 176.519 0.056 0.000 1.230 849 W CA -1.430 55.951 57.345 0.060 0.000 1.253 849 W CB 0.774 30.281 29.460 0.079 0.000 1.129 849 W HN -0.066 nan 8.180 nan 0.000 0.590 850 D N 0.892 121.455 120.400 0.272 0.000 2.473 850 D HA 0.422 5.061 4.640 -0.000 0.000 0.226 850 D C 0.847 177.277 176.300 0.216 0.000 1.089 850 D CA 0.768 54.877 54.000 0.182 0.000 0.883 850 D CB 0.048 40.913 40.800 0.109 0.000 1.029 850 D HN 0.551 nan 8.370 nan 0.000 0.517 851 G N 3.774 112.710 108.800 0.227 0.000 2.561 851 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.289 851 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.289 851 G C 0.759 175.867 174.900 0.346 0.000 1.169 851 G CA 0.338 45.569 45.100 0.219 0.000 0.980 851 G HN 0.539 nan 8.290 nan 0.000 0.550 852 Q N 0.531 120.511 119.800 0.301 0.000 2.403 852 Q HA 0.305 4.645 4.340 -0.000 0.000 0.203 852 Q C 0.524 176.837 176.000 0.522 0.000 0.932 852 Q CA 0.511 56.586 55.803 0.453 0.000 0.945 852 Q CB 0.353 29.229 28.738 0.230 0.000 1.045 852 Q HN 0.316 nan 8.270 nan 0.000 0.511 853 S N 2.474 118.376 115.700 0.337 0.000 2.438 853 S HA 0.316 4.786 4.470 -0.000 0.000 0.293 853 S C -2.331 172.061 174.600 -0.347 0.000 1.141 853 S CA -1.194 57.085 58.200 0.131 0.000 1.080 853 S CB 1.083 64.388 63.200 0.175 0.000 0.978 853 S HN 0.023 nan 8.310 nan 0.000 0.479 854 P HA 0.183 nan 4.420 nan 0.000 0.272 854 P C 0.247 177.177 177.300 -0.616 0.000 1.230 854 P CA -0.282 61.842 63.100 -1.627 0.000 0.788 854 P CB 0.355 31.287 31.700 -1.281 0.000 0.949 855 G N 0.931 109.484 108.800 -0.412 0.000 2.380 855 G HA2 0.148 4.108 3.960 -0.000 0.000 0.242 855 G HA3 0.148 4.108 3.960 -0.000 0.000 0.242 855 G C -0.236 174.604 174.900 -0.100 0.000 1.298 855 G CA -0.070 44.956 45.100 -0.123 0.000 0.878 855 G HN 0.359 nan 8.290 nan 0.000 0.542 856 T N 3.055 117.587 114.554 -0.037 0.000 2.853 856 T HA 0.166 4.516 4.350 -0.000 0.000 0.298 856 T C 0.230 174.957 174.700 0.045 0.000 0.978 856 T CA 0.119 62.224 62.100 0.009 0.000 1.152 856 T CB 0.821 69.721 68.868 0.052 0.000 0.914 856 T HN 0.468 nan 8.240 nan 0.000 0.539 857 E N 2.089 122.329 120.200 0.067 0.000 2.242 857 E HA 0.293 4.643 4.350 -0.000 0.000 0.275 857 E C -0.008 176.680 176.600 0.148 0.000 1.002 857 E CA -0.547 55.903 56.400 0.083 0.000 0.841 857 E CB 1.262 31.000 29.700 0.063 0.000 1.109 857 E HN 0.484 nan 8.360 nan 0.000 0.394 858 S N 1.994 117.747 115.700 0.088 0.000 2.575 858 S HA 0.094 4.564 4.470 -0.000 0.000 0.295 858 S C 0.007 174.662 174.600 0.092 0.000 1.267 858 S CA 0.386 58.613 58.200 0.044 0.000 1.074 858 S CB -0.292 62.917 63.200 0.014 0.000 0.829 858 S HN 0.552 nan 8.310 nan 0.000 0.497 859 H N 0.299 119.378 119.070 0.016 0.000 2.960 859 H HA 0.695 5.251 4.556 -0.000 0.000 0.323 859 H C -1.522 173.818 175.328 0.019 0.000 1.326 859 H CA -1.072 54.987 56.048 0.018 0.000 1.124 859 H CB 0.902 30.673 29.762 0.016 0.000 1.853 859 H HN 0.316 nan 8.280 nan 0.000 0.536 860 Q N 0.737 120.607 119.800 0.118 0.000 2.263 860 Q HA 0.266 4.606 4.340 -0.000 0.000 0.266 860 Q C -0.891 175.226 176.000 0.195 0.000 1.002 860 Q CA -0.683 55.168 55.803 0.080 0.000 0.790 860 Q CB 2.066 30.824 28.738 0.035 0.000 1.272 860 Q HN 0.892 nan 8.270 nan 0.000 0.435 861 K N 0.908 121.434 120.400 0.210 0.000 3.129 861 K HA -0.292 4.028 4.320 -0.000 0.000 0.273 861 K C 0.738 177.404 176.600 0.109 0.000 1.123 861 K CA 0.748 57.114 56.287 0.131 0.000 0.800 861 K CB -1.488 31.056 32.500 0.073 0.000 1.238 861 K HN 1.142 nan 8.250 nan 0.000 0.492 862 G N -0.163 108.728 108.800 0.151 0.000 2.212 862 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.266 862 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.266 862 G C -0.070 174.829 174.900 -0.002 0.000 0.978 862 G CA 0.858 45.884 45.100 -0.123 0.000 0.632 862 G HN 0.330 nan 8.290 nan 0.000 0.537 863 K N 2.314 122.776 120.400 0.104 0.000 2.248 863 K HA 0.421 4.741 4.320 -0.000 0.000 0.281 863 K C -2.212 174.465 176.600 0.129 0.000 1.054 863 K CA -1.771 54.574 56.287 0.097 0.000 0.903 863 K CB 1.587 34.140 32.500 0.088 0.000 1.077 863 K HN 0.121 nan 8.250 nan 0.000 0.474 864 P HA -0.108 nan 4.420 nan 0.000 0.263 864 P C -0.121 177.231 177.300 0.088 0.000 1.175 864 P CA -0.023 63.142 63.100 0.108 0.000 0.761 864 P CB 0.484 32.231 31.700 0.078 0.000 0.794 865 V N 6.386 126.346 119.914 0.076 0.000 2.637 865 V HA 0.086 4.206 4.120 -0.000 0.000 0.296 865 V C -1.625 174.496 176.094 0.045 0.000 1.046 865 V CA -1.083 61.246 62.300 0.048 0.000 1.066 865 V CB -0.142 31.696 31.823 0.024 0.000 0.968 865 V HN 0.578 nan 8.190 nan 0.000 0.483 866 P HA 0.206 nan 4.420 nan 0.000 0.267 866 P C -0.165 177.155 177.300 0.034 0.000 1.205 866 P CA -0.068 63.058 63.100 0.042 0.000 0.765 866 P CB 0.277 32.000 31.700 0.038 0.000 0.828 867 R N 3.027 123.551 120.500 0.039 0.000 4.518 867 R HA 0.275 4.615 4.340 -0.000 0.000 0.243 867 R C -0.013 176.304 176.300 0.028 0.000 1.720 867 R CA -0.278 55.841 56.100 0.032 0.000 1.526 867 R CB -0.467 29.855 30.300 0.036 0.000 1.425 867 R HN 0.506 nan 8.270 nan 0.000 0.787 868 I N 0.479 121.063 120.570 0.024 0.000 2.395 868 I HA 0.090 4.260 4.170 -0.000 0.000 0.289 868 I C 1.527 177.651 176.117 0.012 0.000 1.023 868 I CA -0.215 61.097 61.300 0.020 0.000 1.350 868 I CB 1.694 39.706 38.000 0.019 0.000 1.409 868 I HN 0.328 nan 8.210 nan 0.000 0.507 869 A N 5.019 127.846 122.820 0.011 0.000 1.908 869 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 869 A C 1.812 179.397 177.584 0.002 0.000 1.181 869 A CA 1.500 53.541 52.037 0.007 0.000 0.627 869 A CB -0.533 18.471 19.000 0.007 0.000 0.818 869 A HN 0.839 nan 8.150 nan 0.000 0.445 870 E N -0.655 119.547 120.200 0.002 0.000 2.533 870 E HA 0.085 4.434 4.350 -0.000 0.000 0.201 870 E C 1.181 177.777 176.600 -0.005 0.000 1.097 870 E CA 0.238 56.637 56.400 -0.001 0.000 0.887 870 E CB -0.079 29.621 29.700 -0.000 0.000 0.855 870 E HN 0.644 nan 8.360 nan 0.000 0.540 871 L N -0.568 120.652 121.223 -0.005 0.000 2.624 871 L HA 0.169 4.509 4.340 -0.000 0.000 0.222 871 L C 0.383 177.244 176.870 -0.015 0.000 1.046 871 L CA -0.272 54.562 54.840 -0.011 0.000 0.872 871 L CB 0.247 42.302 42.059 -0.006 0.000 1.190 871 L HN 0.192 nan 8.230 nan 0.000 0.487 872 M N 1.044 120.639 119.600 -0.009 0.000 2.269 872 M HA 0.135 4.615 4.480 -0.000 0.000 0.350 872 M C 1.230 177.521 176.300 -0.014 0.000 1.429 872 M CA 0.608 55.902 55.300 -0.010 0.000 1.063 872 M CB -0.893 31.705 32.600 -0.002 0.000 1.841 872 M HN 0.326 nan 8.290 nan 0.000 0.455 873 G N 3.475 112.264 108.800 -0.020 0.000 2.273 873 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.280 873 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.280 873 G C 0.683 175.566 174.900 -0.029 0.000 1.047 873 G CA 0.055 45.141 45.100 -0.022 0.000 0.869 873 G HN 0.641 nan 8.290 nan 0.000 0.502 874 K N 0.026 120.403 120.400 -0.038 0.000 2.374 874 K HA 0.182 4.502 4.320 -0.000 0.000 0.202 874 K C 1.245 177.804 176.600 -0.069 0.000 1.040 874 K CA 0.135 56.397 56.287 -0.042 0.000 1.085 874 K CB 0.272 32.752 32.500 -0.033 0.000 0.873 874 K HN 0.654 nan 8.250 nan 0.000 0.539 875 K N 1.257 121.601 120.400 -0.093 0.000 3.257 875 K HA -0.172 4.148 4.320 -0.000 0.000 0.270 875 K C -0.650 175.800 176.600 -0.251 0.000 0.984 875 K CA 0.400 56.595 56.287 -0.154 0.000 0.739 875 K CB -1.905 30.512 32.500 -0.140 0.000 1.351 875 K HN 0.145 nan 8.250 nan 0.000 0.463 876 L N 1.736 122.833 121.223 -0.210 0.000 2.371 876 L HA 0.288 4.628 4.340 -0.000 0.000 0.262 876 L C -1.522 175.176 176.870 -0.286 0.000 1.054 876 L CA -1.873 52.827 54.840 -0.233 0.000 0.924 876 L CB 0.605 42.611 42.059 -0.089 0.000 1.295 876 L HN 0.023 nan 8.230 nan 0.000 0.441 877 P HA 0.003 nan 4.420 nan 0.000 0.271 877 P C -0.579 176.519 177.300 -0.336 0.000 1.244 877 P CA -0.369 62.479 63.100 -0.420 0.000 0.793 877 P CB 0.843 32.156 31.700 -0.644 0.000 0.984 878 N N 0.653 119.289 118.700 -0.107 0.000 3.091 878 N HA 0.189 4.929 4.740 -0.000 0.000 0.301 878 N C -0.419 175.175 175.510 0.141 0.000 1.325 878 N CA 0.232 53.285 53.050 0.004 0.000 1.143 878 N CB -0.800 37.724 38.487 0.062 0.000 1.450 878 N HN 0.384 nan 8.380 nan 0.000 0.542 879 F N -3.153 116.825 119.950 0.047 0.000 2.773 879 F HA 0.624 5.151 4.527 -0.000 0.000 0.314 879 F C 0.684 176.461 175.800 -0.038 0.000 1.160 879 F CA -0.750 57.264 58.000 0.024 0.000 0.920 879 F CB 0.401 39.439 39.000 0.063 0.000 1.323 879 F HN 0.102 nan 8.300 nan 0.000 0.457 880 G N 1.007 109.917 108.800 0.183 0.000 2.581 880 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.291 880 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.291 880 G C -1.561 173.174 174.900 -0.276 0.000 1.277 880 G CA 0.133 45.166 45.100 -0.111 0.000 0.959 880 G HN 0.833 nan 8.290 nan 0.000 0.554 881 P HA -0.127 nan 4.420 nan 0.000 0.219 881 P C 1.332 178.375 177.300 -0.428 0.000 1.146 881 P CA 2.278 65.108 63.100 -0.449 0.000 0.808 881 P CB -0.172 31.208 31.700 -0.533 0.000 0.779 882 Y N -0.289 119.813 120.300 -0.329 0.000 2.242 882 Y HA -0.116 4.434 4.550 -0.000 0.000 0.291 882 Y C 2.642 178.396 175.900 -0.244 0.000 1.137 882 Y CA 0.208 58.115 58.100 -0.322 0.000 1.181 882 Y CB -1.221 36.938 38.460 -0.502 0.000 0.989 882 Y HN -0.112 nan 8.280 nan 0.000 0.527 883 L N 0.642 121.810 121.223 -0.092 0.000 2.056 883 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 883 L C 2.048 178.886 176.870 -0.054 0.000 1.078 883 L CA 1.752 56.558 54.840 -0.057 0.000 0.749 883 L CB -0.635 41.409 42.059 -0.025 0.000 0.901 883 L HN 0.169 nan 8.230 nan 0.000 0.433 884 E N -0.963 119.189 120.200 -0.079 0.000 2.085 884 E HA -0.284 4.066 4.350 -0.000 0.000 0.194 884 E C 2.173 178.737 176.600 -0.060 0.000 0.994 884 E CA 1.555 57.913 56.400 -0.070 0.000 0.801 884 E CB -0.069 29.576 29.700 -0.092 0.000 0.743 884 E HN 0.649 nan 8.360 nan 0.000 0.453 885 Q N -0.057 119.703 119.800 -0.067 0.000 2.079 885 Q HA -0.127 4.213 4.340 -0.000 0.000 0.200 885 Q C 2.226 178.207 176.000 -0.032 0.000 0.974 885 Q CA 0.997 56.771 55.803 -0.048 0.000 0.840 885 Q CB 0.002 28.716 28.738 -0.041 0.000 0.898 885 Q HN 0.171 nan 8.270 nan 0.000 0.430 886 R N 0.719 121.201 120.500 -0.030 0.000 2.083 886 R HA -0.137 4.203 4.340 -0.000 0.000 0.237 886 R C 2.215 178.505 176.300 -0.017 0.000 1.137 886 R CA 1.393 57.480 56.100 -0.022 0.000 0.951 886 R CB -0.148 30.137 30.300 -0.024 0.000 0.851 886 R HN 0.147 nan 8.270 nan 0.000 0.434 887 K N 0.713 121.102 120.400 -0.019 0.000 2.057 887 K HA -0.192 4.128 4.320 -0.000 0.000 0.207 887 K C 2.128 178.719 176.600 -0.016 0.000 1.049 887 K CA 1.350 57.627 56.287 -0.016 0.000 0.931 887 K CB -0.108 32.381 32.500 -0.018 0.000 0.714 887 K HN 0.083 nan 8.250 nan 0.000 0.440 888 K N 1.412 121.799 120.400 -0.021 0.000 2.026 888 K HA -0.131 4.189 4.320 -0.000 0.000 0.208 888 K C 1.989 178.581 176.600 -0.012 0.000 1.048 888 K CA 1.295 57.571 56.287 -0.019 0.000 0.929 888 K CB -0.058 32.426 32.500 -0.026 0.000 0.713 888 K HN 0.051 nan 8.250 nan 0.000 0.439 889 I N 0.819 121.382 120.570 -0.011 0.000 2.315 889 I HA -0.257 3.913 4.170 -0.000 0.000 0.248 889 I C 2.177 178.295 176.117 0.002 0.000 1.117 889 I CA 1.037 62.334 61.300 -0.005 0.000 1.404 889 I CB -0.154 37.842 38.000 -0.007 0.000 1.071 889 I HN 0.204 nan 8.210 nan 0.000 0.419 890 I N 0.706 121.277 120.570 0.002 0.000 2.252 890 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 890 I C 2.804 178.927 176.117 0.010 0.000 1.102 890 I CA 1.248 62.554 61.300 0.009 0.000 1.385 890 I CB -0.432 37.573 38.000 0.008 0.000 1.064 890 I HN 0.159 nan 8.210 nan 0.000 0.414 891 A N 0.204 123.025 122.820 0.001 0.000 1.902 891 A HA -0.260 4.060 4.320 -0.000 0.000 0.217 891 A C 2.283 179.872 177.584 0.008 0.000 1.181 891 A CA 1.824 53.860 52.037 -0.001 0.000 0.623 891 A CB -0.630 18.364 19.000 -0.009 0.000 0.818 891 A HN 0.446 nan 8.150 nan 0.000 0.443 892 E N -0.687 119.517 120.200 0.007 0.000 2.085 892 E HA -0.268 4.082 4.350 -0.000 0.000 0.194 892 E C 2.014 178.625 176.600 0.018 0.000 0.994 892 E CA 1.473 57.879 56.400 0.010 0.000 0.801 892 E CB -0.070 29.633 29.700 0.005 0.000 0.743 892 E HN 0.627 nan 8.360 nan 0.000 0.453 893 E N 0.749 120.962 120.200 0.022 0.000 2.110 893 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 893 E C 1.731 178.359 176.600 0.047 0.000 0.988 893 E CA 1.290 57.709 56.400 0.032 0.000 0.804 893 E CB 0.077 29.797 29.700 0.034 0.000 0.745 893 E HN 0.016 nan 8.360 nan 0.000 0.458 894 K N -0.148 120.282 120.400 0.049 0.000 2.057 894 K HA -0.070 4.250 4.320 -0.000 0.000 0.207 894 K C 1.976 178.618 176.600 0.070 0.000 1.049 894 K CA 1.197 57.526 56.287 0.070 0.000 0.931 894 K CB -0.349 32.181 32.500 0.050 0.000 0.714 894 K HN 0.299 nan 8.250 nan 0.000 0.440 895 M N 0.422 120.050 119.600 0.047 0.000 2.159 895 M HA -0.100 4.380 4.480 -0.000 0.000 0.263 895 M C 2.173 178.498 176.300 0.042 0.000 1.063 895 M CA 1.307 56.634 55.300 0.044 0.000 1.110 895 M CB -0.886 31.732 32.600 0.029 0.000 1.374 895 M HN 0.161 nan 8.290 nan 0.000 0.411 896 R N 0.680 121.201 120.500 0.035 0.000 2.075 896 R HA -0.100 4.240 4.340 -0.000 0.000 0.232 896 R C 2.109 178.426 176.300 0.028 0.000 1.126 896 R CA 1.221 57.337 56.100 0.026 0.000 0.963 896 R CB -0.287 30.025 30.300 0.021 0.000 0.858 896 R HN 0.330 nan 8.270 nan 0.000 0.435 897 L N 0.924 122.174 121.223 0.045 0.000 2.191 897 L HA -0.128 4.212 4.340 -0.000 0.000 0.212 897 L C 2.724 179.627 176.870 0.055 0.000 1.103 897 L CA 1.351 56.219 54.840 0.047 0.000 0.769 897 L CB -0.383 41.731 42.059 0.092 0.000 0.908 897 L HN 0.288 nan 8.230 nan 0.000 0.438 898 K N 0.086 120.533 120.400 0.079 0.000 2.062 898 K HA -0.152 4.168 4.320 -0.000 0.000 0.205 898 K C 1.977 178.609 176.600 0.053 0.000 1.051 898 K CA 1.012 57.355 56.287 0.093 0.000 0.941 898 K CB 0.163 32.725 32.500 0.104 0.000 0.719 898 K HN 0.173 nan 8.250 nan 0.000 0.440 899 E N 0.799 121.019 120.200 0.034 0.000 2.110 899 E HA -0.236 4.114 4.350 -0.000 0.000 0.193 899 E C 1.940 178.534 176.600 -0.009 0.000 0.988 899 E CA 1.027 57.437 56.400 0.016 0.000 0.804 899 E CB -0.097 29.611 29.700 0.013 0.000 0.745 899 E HN 0.486 nan 8.360 nan 0.000 0.458 900 Q N 0.713 120.501 119.800 -0.020 0.000 2.226 900 Q HA -0.213 4.127 4.340 -0.000 0.000 0.204 900 Q C 0.806 176.751 176.000 -0.091 0.000 0.975 900 Q CA 1.249 57.020 55.803 -0.053 0.000 0.866 900 Q CB -0.006 28.696 28.738 -0.060 0.000 0.915 900 Q HN 0.123 nan 8.270 nan 0.000 0.440 901 N N -1.361 117.290 118.700 -0.081 0.000 2.809 901 N HA -0.257 4.483 4.740 -0.000 0.000 0.244 901 N C -0.551 174.764 175.510 -0.325 0.000 1.018 901 N CA 0.969 53.931 53.050 -0.146 0.000 0.917 901 N CB -1.564 36.837 38.487 -0.142 0.000 1.130 901 N HN 0.451 nan 8.380 nan 0.000 0.591 902 A N -0.278 122.381 122.820 -0.269 0.000 2.632 902 A HA 0.414 4.734 4.320 -0.000 0.000 0.229 902 A C 0.968 178.287 177.584 -0.441 0.000 1.047 902 A CA 0.917 52.758 52.037 -0.326 0.000 0.754 902 A CB -0.194 18.638 19.000 -0.281 0.000 0.969 902 A HN 0.937 nan 8.150 nan 0.000 0.509 903 A N 1.023 123.653 122.820 -0.317 0.000 2.282 903 A HA 0.721 5.041 4.320 -0.000 0.000 0.319 903 A C -0.564 176.902 177.584 -0.196 0.000 1.121 903 A CA -0.498 51.498 52.037 -0.068 0.000 0.836 903 A CB 0.249 19.298 19.000 0.081 0.000 1.146 903 A HN 0.724 nan 8.150 nan 0.000 0.494 904 F N 0.680 120.686 119.950 0.094 0.000 2.404 904 F HA 0.412 4.939 4.527 0.000 0.000 0.354 904 F C -2.129 173.698 175.800 0.044 0.000 1.122 904 F CA -2.276 55.757 58.000 0.054 0.000 1.080 904 F CB 1.044 40.068 39.000 0.040 0.000 1.131 904 F HN 0.258 nan 8.300 nan 0.000 0.471 905 P HA 0.131 nan 4.420 nan 0.000 0.267 905 P C -2.418 174.958 177.300 0.126 0.000 1.328 905 P CA -0.869 62.301 63.100 0.117 0.000 0.990 905 P CB -0.202 31.546 31.700 0.081 0.000 1.168 906 P HA 0.039 nan 4.420 nan 0.000 0.263 906 P C -0.236 177.117 177.300 0.088 0.000 1.276 906 P CA 0.276 63.441 63.100 0.109 0.000 0.986 906 P CB 0.169 31.930 31.700 0.102 0.000 1.105 907 L N 3.302 124.574 121.223 0.082 0.000 2.410 907 L HA 0.090 4.430 4.340 -0.000 0.000 0.273 907 L C 1.091 177.994 176.870 0.056 0.000 1.144 907 L CA -0.182 54.697 54.840 0.065 0.000 0.863 907 L CB 0.203 42.299 42.059 0.061 0.000 1.140 907 L HN 0.338 nan 8.230 nan 0.000 0.463 908 E N 3.591 123.821 120.200 0.049 0.000 2.413 908 E HA 0.083 4.433 4.350 -0.000 0.000 0.263 908 E C -0.166 176.447 176.600 0.022 0.000 1.015 908 E CA -0.271 56.153 56.400 0.039 0.000 0.916 908 E CB 0.703 30.424 29.700 0.036 0.000 0.947 908 E HN 0.375 nan 8.360 nan 0.000 0.440 909 R N 2.648 123.153 120.500 0.009 0.000 2.216 909 R HA 0.136 4.476 4.340 -0.000 0.000 0.332 909 R C -0.595 175.683 176.300 -0.037 0.000 1.056 909 R CA -0.058 56.028 56.100 -0.022 0.000 0.901 909 R CB 0.426 30.718 30.300 -0.013 0.000 1.039 909 R HN 0.359 nan 8.270 nan 0.000 0.456 910 K N 5.193 125.556 120.400 -0.062 0.000 2.345 910 K HA 0.397 4.717 4.320 -0.000 0.000 0.255 910 K C -2.487 174.031 176.600 -0.136 0.000 0.934 910 K CA -2.018 54.239 56.287 -0.050 0.000 0.801 910 K CB 2.254 34.764 32.500 0.017 0.000 1.137 910 K HN 0.364 nan 8.250 nan 0.000 0.424 911 P HA 0.089 nan 4.420 nan 0.000 0.275 911 P C -0.888 176.418 177.300 0.009 0.000 1.227 911 P CA -0.045 62.977 63.100 -0.131 0.000 0.781 911 P CB 0.408 32.080 31.700 -0.047 0.000 0.906 912 F N 1.885 121.816 119.950 -0.031 0.000 2.412 912 F HA 0.341 4.868 4.527 0.000 0.000 0.348 912 F C 0.937 176.715 175.800 -0.037 0.000 1.102 912 F CA -0.713 57.257 58.000 -0.051 0.000 1.196 912 F CB 0.604 39.550 39.000 -0.090 0.000 1.144 912 F HN 0.004 nan 8.300 nan 0.000 0.541 913 I N 4.145 124.801 120.570 0.143 0.000 2.441 913 I HA 0.276 4.446 4.170 -0.000 0.000 0.295 913 I C -2.362 173.729 176.117 -0.043 0.000 0.994 913 I CA -2.434 58.894 61.300 0.047 0.000 1.144 913 I CB 1.830 39.849 38.000 0.032 0.000 1.314 913 I HN 0.249 nan 8.210 nan 0.000 0.445 914 P HA 0.041 nan 4.420 nan 0.000 0.261 914 P C -0.449 176.784 177.300 -0.111 0.000 1.203 914 P CA 0.112 63.107 63.100 -0.176 0.000 0.767 914 P CB 0.267 31.850 31.700 -0.196 0.000 0.785 915 K N 3.439 123.767 120.400 -0.120 0.000 2.493 915 K HA 0.114 4.434 4.320 -0.000 0.000 0.207 915 K C 0.387 176.939 176.600 -0.080 0.000 1.033 915 K CA -0.002 56.231 56.287 -0.089 0.000 1.161 915 K CB -0.019 32.425 32.500 -0.094 0.000 0.873 915 K HN 0.490 nan 8.250 nan 0.000 0.491 916 K N -0.531 119.817 120.400 -0.087 0.000 2.660 916 K HA 0.271 4.591 4.320 -0.000 0.000 0.285 916 K C -3.227 173.331 176.600 -0.071 0.000 0.997 916 K CA -1.629 54.617 56.287 -0.070 0.000 0.861 916 K CB 0.800 33.259 32.500 -0.069 0.000 1.469 916 K HN -0.285 nan 8.250 nan 0.000 0.395 917 P HA 0.027 nan 4.420 nan 0.000 0.266 917 P C -0.141 177.133 177.300 -0.044 0.000 1.195 917 P CA -0.170 62.907 63.100 -0.039 0.000 0.768 917 P CB 0.273 31.959 31.700 -0.024 0.000 0.838 918 I N 4.932 125.480 120.570 -0.036 0.000 2.533 918 I HA 0.107 4.277 4.170 -0.000 0.000 0.284 918 I C -1.304 174.810 176.117 -0.005 0.000 1.109 918 I CA -2.130 59.153 61.300 -0.028 0.000 1.412 918 I CB -0.295 37.711 38.000 0.010 0.000 1.396 918 I HN 0.287 nan 8.210 nan 0.000 0.543 919 P HA 0.234 nan 4.420 nan 0.000 0.271 919 P C -0.606 176.704 177.300 0.016 0.000 1.218 919 P CA -0.366 62.740 63.100 0.010 0.000 0.780 919 P CB 1.159 32.871 31.700 0.020 0.000 0.901 920 A N 2.657 125.484 122.820 0.013 0.000 2.269 920 A HA 0.352 4.672 4.320 -0.000 0.000 0.319 920 A C 1.722 179.308 177.584 0.003 0.000 1.110 920 A CA -0.731 51.313 52.037 0.011 0.000 0.847 920 A CB 0.085 19.090 19.000 0.010 0.000 1.161 920 A HN 0.449 nan 8.150 nan 0.000 0.497 921 I N 0.701 121.266 120.570 -0.009 0.000 2.145 921 I HA -0.320 3.850 4.170 -0.000 0.000 0.244 921 I C 2.434 178.536 176.117 -0.026 0.000 1.075 921 I CA 2.450 63.730 61.300 -0.033 0.000 1.332 921 I CB -1.216 36.749 38.000 -0.058 0.000 1.033 921 I HN 0.955 nan 8.210 nan 0.000 0.410 922 K N 0.461 120.852 120.400 -0.016 0.000 2.281 922 K HA -0.178 4.142 4.320 -0.000 0.000 0.203 922 K C 1.173 177.774 176.600 0.001 0.000 1.046 922 K CA 1.624 57.904 56.287 -0.011 0.000 0.938 922 K CB -0.293 32.204 32.500 -0.006 0.000 0.737 922 K HN 0.287 nan 8.250 nan 0.000 0.458 923 D N 1.204 121.609 120.400 0.008 0.000 2.289 923 D HA -0.074 4.566 4.640 -0.000 0.000 0.207 923 D C 1.934 178.260 176.300 0.042 0.000 0.966 923 D CA 1.246 55.257 54.000 0.018 0.000 0.868 923 D CB 0.494 41.303 40.800 0.016 0.000 0.943 923 D HN 0.330 nan 8.370 nan 0.000 0.514 924 V N -1.494 118.452 119.914 0.054 0.000 3.565 924 V HA 0.215 4.335 4.120 -0.000 0.000 0.260 924 V C 1.028 177.215 176.094 0.154 0.000 1.231 924 V CA -0.237 62.143 62.300 0.134 0.000 1.100 924 V CB -0.258 31.627 31.823 0.104 0.000 0.807 924 V HN -0.093 nan 8.190 nan 0.000 0.454 925 I N 3.166 123.770 120.570 0.057 0.000 2.742 925 I HA 0.353 4.523 4.170 -0.000 0.000 0.287 925 I C 1.622 177.772 176.117 0.055 0.000 1.186 925 I CA 1.523 62.846 61.300 0.039 0.000 1.417 925 I CB 0.025 38.020 38.000 -0.009 0.000 1.377 925 I HN 0.534 nan 8.210 nan 0.000 0.556 926 G N 5.187 114.030 108.800 0.072 0.000 2.162 926 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.260 926 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.260 926 G C 1.134 176.053 174.900 0.032 0.000 0.976 926 G CA -0.119 45.009 45.100 0.046 0.000 0.655 926 G HN 0.603 nan 8.290 nan 0.000 0.533 927 K N 0.140 120.577 120.400 0.061 0.000 2.442 927 K HA 0.246 4.566 4.320 -0.000 0.000 0.198 927 K C 2.520 179.088 176.600 -0.053 0.000 1.042 927 K CA 1.270 57.549 56.287 -0.014 0.000 0.958 927 K CB -0.279 32.216 32.500 -0.008 0.000 0.766 927 K HN 0.743 nan 8.250 nan 0.000 0.474 928 A N 0.512 123.332 122.820 -0.001 0.000 2.095 928 A HA 0.073 4.393 4.320 -0.000 0.000 0.212 928 A C 2.030 179.659 177.584 0.074 0.000 1.162 928 A CA 0.122 52.215 52.037 0.094 0.000 0.753 928 A CB -0.224 18.820 19.000 0.073 0.000 0.840 928 A HN 0.148 nan 8.150 nan 0.000 0.468 929 L N 0.405 121.626 121.223 -0.003 0.000 2.189 929 L HA -0.318 4.022 4.340 -0.000 0.000 0.214 929 L C 2.868 179.684 176.870 -0.091 0.000 1.097 929 L CA 1.795 56.619 54.840 -0.026 0.000 0.764 929 L CB -0.810 41.234 42.059 -0.026 0.000 0.900 929 L HN 0.716 nan 8.230 nan 0.000 0.436 930 Q N -0.297 119.371 119.800 -0.220 0.000 2.234 930 Q HA -0.231 4.109 4.340 -0.000 0.000 0.206 930 Q C 1.667 177.435 176.000 -0.388 0.000 0.980 930 Q CA 1.890 57.478 55.803 -0.359 0.000 0.869 930 Q CB -0.569 27.842 28.738 -0.546 0.000 0.912 930 Q HN 0.540 nan 8.270 nan 0.000 0.436 931 Y N 0.650 120.918 120.300 -0.054 0.000 2.523 931 Y HA 0.253 4.803 4.550 -0.000 0.000 0.279 931 Y C 0.792 176.663 175.900 -0.049 0.000 1.139 931 Y CA -0.378 57.690 58.100 -0.055 0.000 1.296 931 Y CB 0.434 38.856 38.460 -0.062 0.000 1.045 931 Y HN 0.011 nan 8.280 nan 0.000 0.538 932 L N 0.144 121.405 121.223 0.063 0.000 2.350 932 L HA 0.583 4.923 4.340 -0.000 0.000 0.275 932 L C 0.653 177.527 176.870 0.006 0.000 1.099 932 L CA -0.050 54.810 54.840 0.034 0.000 0.808 932 L CB 1.140 43.213 42.059 0.024 0.000 1.149 932 L HN 0.254 nan 8.230 nan 0.000 0.442 933 G N 0.403 109.208 108.800 0.008 0.000 2.494 933 G HA2 0.381 4.341 3.960 -0.000 0.000 0.308 933 G HA3 0.381 4.341 3.960 -0.000 0.000 0.308 933 G C -0.840 174.070 174.900 0.017 0.000 1.263 933 G CA -0.050 45.051 45.100 0.002 0.000 0.840 933 G HN 0.536 nan 8.290 nan 0.000 0.479 934 T N -1.970 112.596 114.554 0.020 0.000 2.816 934 T HA 0.412 4.762 4.350 -0.000 0.000 0.282 934 T C 1.097 175.839 174.700 0.069 0.000 0.993 934 T CA 0.080 62.215 62.100 0.058 0.000 0.994 934 T CB 1.169 70.071 68.868 0.057 0.000 1.025 934 T HN 0.603 nan 8.240 nan 0.000 0.529 935 F N 1.154 121.104 119.950 -0.000 0.000 2.234 935 F HA 0.161 4.688 4.527 -0.000 0.000 0.299 935 F C 2.353 178.153 175.800 0.000 0.000 1.087 935 F CA 1.741 59.741 58.000 -0.000 0.000 1.340 935 F CB -0.796 38.205 39.000 0.001 0.000 1.031 935 F HN 0.751 nan 8.300 nan 0.000 0.500 936 G N -0.386 108.498 108.800 0.141 0.000 2.448 936 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.219 936 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.219 936 G C 1.354 176.230 174.900 -0.040 0.000 1.127 936 G CA 0.673 45.813 45.100 0.067 0.000 0.766 936 G HN 0.474 nan 8.290 nan 0.000 0.552 937 E N -0.341 119.823 120.200 -0.060 0.000 2.511 937 E HA 0.149 4.499 4.350 -0.000 0.000 0.196 937 E C 0.256 176.784 176.600 -0.119 0.000 1.066 937 E CA -0.294 56.065 56.400 -0.069 0.000 0.871 937 E CB 0.090 29.763 29.700 -0.045 0.000 0.863 937 E HN 0.365 nan 8.360 nan 0.000 0.520 938 L N 1.006 122.095 121.223 -0.224 0.000 2.312 938 L HA 0.190 4.530 4.340 -0.000 0.000 0.281 938 L C 0.456 177.188 176.870 -0.230 0.000 1.070 938 L CA -0.598 54.075 54.840 -0.278 0.000 0.805 938 L CB 1.456 43.209 42.059 -0.511 0.000 1.174 938 L HN -0.098 nan 8.230 nan 0.000 0.434 939 S N 1.562 117.166 115.700 -0.159 0.000 2.499 939 S HA 0.098 4.568 4.470 -0.000 0.000 0.275 939 S C 0.701 175.230 174.600 -0.118 0.000 1.257 939 S CA -0.728 57.406 58.200 -0.111 0.000 1.050 939 S CB 0.284 63.438 63.200 -0.077 0.000 0.937 939 S HN 0.741 nan 8.310 nan 0.000 0.490 940 N N 4.706 123.361 118.700 -0.075 0.000 2.230 940 N HA 0.102 4.842 4.740 -0.000 0.000 0.202 940 N C 0.959 176.454 175.510 -0.024 0.000 1.119 940 N CA 0.174 53.193 53.050 -0.051 0.000 0.851 940 N CB -0.331 38.168 38.487 0.020 0.000 0.990 940 N HN 0.730 nan 8.380 nan 0.000 0.497 941 I N -3.433 117.122 120.570 -0.025 0.000 3.526 941 I HA 0.271 4.441 4.170 -0.000 0.000 0.294 941 I C -0.060 176.040 176.117 -0.029 0.000 1.229 941 I CA -0.007 61.293 61.300 0.001 0.000 1.408 941 I CB -0.078 37.929 38.000 0.011 0.000 1.127 941 I HN -0.112 nan 8.210 nan 0.000 0.439 942 E N 3.894 124.061 120.200 -0.056 0.000 1.979 942 E HA 0.176 4.526 4.350 -0.000 0.000 0.285 942 E C -0.330 176.208 176.600 -0.104 0.000 1.188 942 E CA -0.277 56.085 56.400 -0.064 0.000 1.214 942 E CB 0.299 29.965 29.700 -0.057 0.000 1.210 942 E HN 0.377 nan 8.360 nan 0.000 0.477 943 Q N 0.745 120.466 119.800 -0.132 0.000 2.256 943 Q HA 0.404 4.744 4.340 -0.000 0.000 0.232 943 Q C 0.247 176.163 176.000 -0.141 0.000 0.965 943 Q CA -0.462 55.213 55.803 -0.214 0.000 0.908 943 Q CB 1.933 30.443 28.738 -0.380 0.000 1.209 943 Q HN 0.309 nan 8.270 nan 0.000 0.489 944 V N -2.320 117.505 119.914 -0.148 0.000 3.141 944 V HA 0.905 5.025 4.120 -0.000 0.000 0.312 944 V C -0.273 175.772 176.094 -0.082 0.000 1.157 944 V CA -0.966 61.280 62.300 -0.090 0.000 1.041 944 V CB 1.832 33.612 31.823 -0.072 0.000 1.071 944 V HN 0.595 nan 8.190 nan 0.000 0.441 945 V N -1.558 118.329 119.914 -0.045 0.000 3.130 945 V HA 1.033 5.153 4.120 -0.000 0.000 0.310 945 V C 0.155 176.241 176.094 -0.013 0.000 1.158 945 V CA -0.512 61.771 62.300 -0.028 0.000 1.029 945 V CB 1.313 33.131 31.823 -0.009 0.000 1.057 945 V HN 1.964 nan 8.190 nan 0.000 0.436 946 A N 1.304 124.124 122.820 -0.000 0.000 2.327 946 A HA 0.810 5.130 4.320 -0.000 0.000 0.283 946 A C -0.368 177.225 177.584 0.016 0.000 1.127 946 A CA -0.419 51.623 52.037 0.009 0.000 0.810 946 A CB 1.236 20.247 19.000 0.019 0.000 1.066 946 A HN 1.947 nan 8.150 nan 0.000 0.492 947 V N 4.579 124.502 119.914 0.015 0.000 2.577 947 V HA 0.578 4.698 4.120 -0.000 0.000 0.303 947 V C -0.809 175.296 176.094 0.019 0.000 1.042 947 V CA -0.616 61.694 62.300 0.017 0.000 0.872 947 V CB 1.330 33.160 31.823 0.012 0.000 0.998 947 V HN 0.738 nan 8.190 nan 0.000 0.423 948 I N 5.383 125.968 120.570 0.024 0.000 2.392 948 I HA 0.410 4.580 4.170 -0.000 0.000 0.295 948 I C -0.443 175.683 176.117 0.015 0.000 0.985 948 I CA -0.482 60.832 61.300 0.024 0.000 1.221 948 I CB 1.672 39.696 38.000 0.038 0.000 1.366 948 I HN 0.548 nan 8.210 nan 0.000 0.467 949 D N 6.037 126.442 120.400 0.007 0.000 2.411 949 D HA 0.074 4.714 4.640 -0.000 0.000 0.225 949 D C 0.932 177.227 176.300 -0.009 0.000 1.156 949 D CA 0.012 54.010 54.000 -0.003 0.000 0.874 949 D CB 0.785 41.579 40.800 -0.010 0.000 1.034 949 D HN 0.498 nan 8.370 nan 0.000 0.502 950 E N 1.988 122.184 120.200 -0.007 0.000 2.267 950 E HA -0.172 4.178 4.350 -0.000 0.000 0.197 950 E C 1.004 177.588 176.600 -0.027 0.000 0.998 950 E CA 0.751 57.144 56.400 -0.012 0.000 0.830 950 E CB 0.407 30.093 29.700 -0.023 0.000 0.751 950 E HN 0.520 nan 8.360 nan 0.000 0.491 951 E N -0.229 119.951 120.200 -0.033 0.000 2.274 951 E HA -0.070 4.280 4.350 -0.000 0.000 0.194 951 E C 1.719 178.275 176.600 -0.074 0.000 0.996 951 E CA 0.787 57.161 56.400 -0.044 0.000 0.840 951 E CB 0.068 29.748 29.700 -0.034 0.000 0.772 951 E HN 0.418 nan 8.360 nan 0.000 0.491 952 M N -0.410 119.136 119.600 -0.090 0.000 2.492 952 M HA 0.063 4.543 4.480 -0.000 0.000 0.255 952 M C 1.194 177.430 176.300 -0.105 0.000 1.139 952 M CA -0.185 55.013 55.300 -0.170 0.000 1.096 952 M CB 0.566 33.057 32.600 -0.182 0.000 1.360 952 M HN -0.070 nan 8.290 nan 0.000 0.480 953 C N 2.872 122.151 119.300 -0.035 0.000 2.657 953 C HA 0.111 4.571 4.460 -0.000 0.000 0.420 953 C C 1.594 176.612 174.990 0.046 0.000 1.323 953 C CA -0.300 58.729 59.018 0.018 0.000 1.894 953 C CB -0.389 27.381 27.740 0.052 0.000 2.681 953 C HN 0.641 nan 8.230 nan 0.000 0.613 954 I N 1.291 121.902 120.570 0.069 0.000 3.877 954 I HA 0.370 4.540 4.170 -0.000 0.000 0.332 954 I C 0.444 176.648 176.117 0.145 0.000 1.525 954 I CA -0.314 61.044 61.300 0.096 0.000 1.146 954 I CB -0.938 37.099 38.000 0.062 0.000 1.137 954 I HN 0.834 nan 8.210 nan 0.000 0.424 955 N N 0.301 119.118 118.700 0.194 0.000 2.693 955 N HA -0.260 4.480 4.740 -0.000 0.000 0.249 955 N C 1.185 176.846 175.510 0.251 0.000 1.119 955 N CA 1.135 54.362 53.050 0.294 0.000 0.717 955 N CB -2.276 36.440 38.487 0.382 0.000 1.071 955 N HN 0.875 nan 8.380 nan 0.000 0.555 956 C N -2.695 116.674 119.300 0.115 0.000 2.468 956 C HA 0.475 4.935 4.460 -0.000 0.000 0.277 956 C C 2.151 177.061 174.990 -0.133 0.000 1.400 956 C CA 0.369 59.391 59.018 0.007 0.000 1.770 956 C CB -0.983 26.748 27.740 -0.015 0.000 1.905 956 C HN 1.020 nan 8.230 nan 0.000 0.519 957 G N 0.894 109.544 108.800 -0.250 0.000 2.147 957 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.244 957 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.244 957 G C 0.802 175.488 174.900 -0.356 0.000 1.005 957 G CA 0.726 45.361 45.100 -0.775 0.000 0.713 957 G HN 0.659 nan 8.290 nan 0.000 0.515 958 K N -0.460 119.833 120.400 -0.178 0.000 2.103 958 K HA -0.052 4.268 4.320 -0.000 0.000 0.204 958 K C 2.990 179.538 176.600 -0.086 0.000 1.052 958 K CA 1.700 57.919 56.287 -0.113 0.000 0.945 958 K CB -0.454 32.005 32.500 -0.070 0.000 0.722 958 K HN 0.838 nan 8.250 nan 0.000 0.443 959 C N -0.218 119.046 119.300 -0.059 0.000 2.413 959 C HA -0.158 4.302 4.460 -0.000 0.000 0.276 959 C C 2.506 177.495 174.990 -0.000 0.000 1.248 959 C CA 0.393 59.403 59.018 -0.014 0.000 1.742 959 C CB -1.400 26.351 27.740 0.019 0.000 2.017 959 C HN 0.462 nan 8.230 nan 0.000 0.481 960 Y N 1.848 122.029 120.300 -0.198 0.000 2.145 960 Y HA -0.165 4.385 4.550 -0.000 0.000 0.286 960 Y C 2.689 178.490 175.900 -0.165 0.000 1.145 960 Y CA 2.259 60.236 58.100 -0.205 0.000 1.148 960 Y CB -0.365 37.826 38.460 -0.448 0.000 0.981 960 Y HN 0.213 nan 8.280 nan 0.000 0.507 961 M N -0.279 119.172 119.600 -0.249 0.000 2.175 961 M HA -0.164 4.316 4.480 -0.000 0.000 0.264 961 M C 2.135 178.312 176.300 -0.206 0.000 1.063 961 M CA 2.062 57.187 55.300 -0.292 0.000 1.119 961 M CB -0.488 31.999 32.600 -0.187 0.000 1.377 961 M HN 0.448 nan 8.290 nan 0.000 0.415 962 T N -2.462 112.012 114.554 -0.133 0.000 2.857 962 T HA -0.131 4.219 4.350 -0.000 0.000 0.266 962 T C 1.981 176.628 174.700 -0.089 0.000 1.048 962 T CA 1.084 63.128 62.100 -0.093 0.000 1.139 962 T CB -1.007 67.829 68.868 -0.053 0.000 0.874 962 T HN 0.489 nan 8.240 nan 0.000 0.455 963 C N 1.818 121.070 119.300 -0.081 0.000 2.446 963 C HA 0.062 4.522 4.460 -0.000 0.000 0.279 963 C C 2.612 177.537 174.990 -0.108 0.000 1.366 963 C CA 0.606 59.599 59.018 -0.042 0.000 1.763 963 C CB -1.688 26.064 27.740 0.019 0.000 1.929 963 C HN 0.517 nan 8.230 nan 0.000 0.509 964 N N 1.282 119.855 118.700 -0.211 0.000 2.109 964 N HA -0.041 4.699 4.740 -0.000 0.000 0.188 964 N C 0.954 176.354 175.510 -0.184 0.000 1.034 964 N CA 1.522 54.425 53.050 -0.245 0.000 0.846 964 N CB -0.445 37.787 38.487 -0.425 0.000 1.010 964 N HN 0.539 nan 8.380 nan 0.000 0.425 965 D N -1.142 119.155 120.400 -0.172 0.000 2.369 965 D HA 0.198 4.838 4.640 -0.000 0.000 0.211 965 D C 0.173 176.399 176.300 -0.122 0.000 1.077 965 D CA 0.310 54.229 54.000 -0.136 0.000 0.842 965 D CB 0.414 41.141 40.800 -0.121 0.000 0.947 965 D HN 0.008 nan 8.370 nan 0.000 0.509 966 S N -0.965 114.659 115.700 -0.126 0.000 2.911 966 S HA 0.422 4.892 4.470 -0.000 0.000 0.261 966 S C 0.717 175.237 174.600 -0.132 0.000 1.021 966 S CA -0.242 57.891 58.200 -0.112 0.000 1.222 966 S CB 1.855 65.011 63.200 -0.074 0.000 1.171 966 S HN 0.301 nan 8.310 nan 0.000 0.669 967 G N 0.510 109.207 108.800 -0.173 0.000 3.366 967 G HA2 0.488 4.448 3.960 -0.000 0.000 0.179 967 G HA3 0.488 4.448 3.960 -0.000 0.000 0.179 967 G C -0.904 173.708 174.900 -0.480 0.000 1.143 967 G CA -0.297 44.685 45.100 -0.196 0.000 0.810 967 G HN 0.253 nan 8.290 nan 0.000 0.697 968 Y N 0.488 120.785 120.300 -0.007 0.000 2.706 968 Y HA 0.335 4.885 4.550 0.000 0.000 0.255 968 Y C 0.525 176.428 175.900 0.005 0.000 1.163 968 Y CA -0.606 57.498 58.100 0.006 0.000 1.174 968 Y CB 0.662 39.138 38.460 0.027 0.000 1.200 968 Y HN 0.300 nan 8.280 nan 0.000 0.544 969 Q N -0.131 119.704 119.800 0.059 0.000 2.434 969 Q HA -0.245 4.095 4.340 -0.000 0.000 0.299 969 Q C 0.958 177.021 176.000 0.104 0.000 1.286 969 Q CA 0.913 56.740 55.803 0.040 0.000 0.872 969 Q CB -1.724 27.025 28.738 0.018 0.000 1.193 969 Q HN 0.573 nan 8.270 nan 0.000 0.466 970 A N -0.747 122.152 122.820 0.132 0.000 2.348 970 A HA 0.414 4.734 4.320 -0.000 0.000 0.224 970 A C 0.443 178.109 177.584 0.137 0.000 1.227 970 A CA -0.067 52.048 52.037 0.131 0.000 0.885 970 A CB 0.539 19.616 19.000 0.128 0.000 0.933 970 A HN 0.407 nan 8.150 nan 0.000 0.506 971 I N 0.665 121.342 120.570 0.178 0.000 2.404 971 I HA 0.216 4.386 4.170 -0.000 0.000 0.293 971 I C -0.500 175.799 176.117 0.303 0.000 0.992 971 I CA -0.486 60.948 61.300 0.224 0.000 1.149 971 I CB 1.878 40.027 38.000 0.248 0.000 1.315 971 I HN 0.228 nan 8.210 nan 0.000 0.446 972 Q N 4.955 124.876 119.800 0.202 0.000 2.257 972 Q HA 0.398 4.738 4.340 -0.000 0.000 0.255 972 Q C -1.286 174.777 176.000 0.107 0.000 0.920 972 Q CA -0.467 55.428 55.803 0.154 0.000 0.927 972 Q CB 2.299 31.095 28.738 0.097 0.000 1.229 972 Q HN 0.408 nan 8.270 nan 0.000 0.433 973 F N 2.471 122.238 119.950 -0.304 0.000 2.434 973 F HA 0.198 4.725 4.527 -0.000 0.000 0.355 973 F C -0.425 175.259 175.800 -0.193 0.000 1.115 973 F CA -1.584 56.158 58.000 -0.430 0.000 1.010 973 F CB 0.911 39.205 39.000 -1.177 0.000 1.234 973 F HN 0.504 nan 8.300 nan 0.000 0.439 974 D N 7.913 128.123 120.400 -0.317 0.000 2.487 974 D HA 0.082 4.722 4.640 -0.000 0.000 0.243 974 D C -1.460 174.721 176.300 -0.198 0.000 1.154 974 D CA -0.858 53.019 54.000 -0.205 0.000 0.876 974 D CB 1.226 41.934 40.800 -0.153 0.000 1.161 974 D HN 0.294 nan 8.370 nan 0.000 0.478 975 P HA -0.102 nan 4.420 nan 0.000 0.229 975 P C 0.320 177.720 177.300 0.167 0.000 1.160 975 P CA 0.875 64.032 63.100 0.094 0.000 0.777 975 P CB 0.496 32.249 31.700 0.089 0.000 0.814 976 E N -0.528 119.731 120.200 0.099 0.000 2.244 976 E HA 0.007 4.357 4.350 -0.000 0.000 0.196 976 E C 1.890 178.651 176.600 0.268 0.000 0.939 976 E CA 1.492 57.992 56.400 0.166 0.000 0.884 976 E CB -0.648 29.128 29.700 0.126 0.000 0.850 976 E HN 0.353 nan 8.360 nan 0.000 0.481 977 T N -3.083 111.487 114.554 0.027 0.000 3.037 977 T HA 0.059 4.409 4.350 -0.000 0.000 0.251 977 T C 0.528 175.322 174.700 0.157 0.000 1.079 977 T CA 0.146 62.155 62.100 -0.151 0.000 1.067 977 T CB -0.292 68.311 68.868 -0.442 0.000 0.948 977 T HN 0.273 nan 8.240 nan 0.000 0.496 978 H N 0.518 119.515 119.070 -0.120 0.000 2.791 978 H HA -0.094 4.462 4.556 -0.000 0.000 0.302 978 H C -0.843 174.268 175.328 -0.361 0.000 1.198 978 H CA -0.152 55.578 56.048 -0.531 0.000 1.145 978 H CB -1.726 28.015 29.762 -0.036 0.000 1.385 978 H HN 0.423 nan 8.280 nan 0.000 0.409 979 L N 2.032 123.142 121.223 -0.188 0.000 2.307 979 L HA 0.438 4.778 4.340 -0.000 0.000 0.284 979 L C -1.949 174.941 176.870 0.034 0.000 1.023 979 L CA -1.736 53.093 54.840 -0.019 0.000 0.810 979 L CB 1.456 43.478 42.059 -0.061 0.000 1.231 979 L HN -0.035 nan 8.230 nan 0.000 0.423 980 P HA 0.332 nan 4.420 nan 0.000 0.287 980 P C -1.126 176.246 177.300 0.119 0.000 1.270 980 P CA -0.467 62.776 63.100 0.238 0.000 0.844 980 P CB 1.963 33.829 31.700 0.277 0.000 1.068 981 T N 0.852 115.472 114.554 0.110 0.000 2.937 981 T HA 0.228 4.578 4.350 -0.000 0.000 0.297 981 T C -0.266 174.486 174.700 0.087 0.000 0.991 981 T CA -0.399 61.747 62.100 0.076 0.000 0.990 981 T CB 0.947 69.847 68.868 0.052 0.000 0.991 981 T HN 0.073 nan 8.240 nan 0.000 0.440 982 V N 4.824 124.782 119.914 0.073 0.000 2.470 982 V HA 0.324 4.444 4.120 -0.000 0.000 0.276 982 V C 1.314 177.445 176.094 0.062 0.000 1.040 982 V CA -0.223 62.120 62.300 0.072 0.000 1.008 982 V CB 0.584 32.440 31.823 0.055 0.000 0.990 982 V HN 1.087 nan 8.190 nan 0.000 0.477 983 T N 0.463 115.060 114.554 0.071 0.000 2.852 983 T HA 0.216 4.566 4.350 -0.000 0.000 0.281 983 T C 0.866 175.597 174.700 0.050 0.000 0.993 983 T CA -0.205 61.931 62.100 0.060 0.000 0.933 983 T CB 0.939 69.848 68.868 0.068 0.000 1.187 983 T HN 0.568 nan 8.240 nan 0.000 0.559 984 D N -0.189 120.237 120.400 0.044 0.000 2.350 984 D HA -0.053 4.587 4.640 -0.000 0.000 0.216 984 D C 1.937 178.261 176.300 0.039 0.000 0.968 984 D CA 1.327 55.349 54.000 0.038 0.000 0.894 984 D CB -0.321 40.498 40.800 0.032 0.000 0.909 984 D HN 0.755 nan 8.370 nan 0.000 0.520 985 T N -2.279 112.303 114.554 0.048 0.000 3.148 985 T HA -0.011 4.339 4.350 -0.000 0.000 0.253 985 T C 1.246 175.966 174.700 0.033 0.000 1.134 985 T CA -0.326 61.803 62.100 0.049 0.000 1.051 985 T CB -1.135 67.777 68.868 0.074 0.000 0.959 985 T HN 0.222 nan 8.240 nan 0.000 0.525 986 C N 3.963 123.281 119.300 0.030 0.000 2.642 986 C HA 0.370 4.830 4.460 -0.000 0.000 0.420 986 C C 2.120 177.073 174.990 -0.061 0.000 1.349 986 C CA 0.527 59.545 59.018 -0.000 0.000 1.821 986 C CB -0.131 27.620 27.740 0.018 0.000 2.637 986 C HN 0.698 nan 8.230 nan 0.000 0.605 987 T N 1.210 115.651 114.554 -0.188 0.000 3.054 987 T HA 0.324 4.674 4.350 -0.000 0.000 0.255 987 T C 1.303 175.882 174.700 -0.202 0.000 1.035 987 T CA 0.915 62.877 62.100 -0.231 0.000 0.941 987 T CB -0.041 68.470 68.868 -0.595 0.000 1.026 987 T HN 2.240 nan 8.240 nan 0.000 0.533 988 G N 1.207 109.931 108.800 -0.126 0.000 2.147 988 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.244 988 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.244 988 G C 1.298 176.157 174.900 -0.067 0.000 1.005 988 G CA 0.438 45.481 45.100 -0.095 0.000 0.713 988 G HN 1.219 nan 8.290 nan 0.000 0.515 989 C N -1.872 117.407 119.300 -0.035 0.000 2.410 989 C HA 0.213 4.673 4.460 -0.000 0.000 0.281 989 C C 2.297 177.303 174.990 0.027 0.000 1.318 989 C CA 1.595 60.632 59.018 0.030 0.000 1.776 989 C CB -1.223 26.605 27.740 0.146 0.000 1.942 989 C HN 1.713 nan 8.230 nan 0.000 0.508 990 T N -0.429 114.137 114.554 0.020 0.000 5.686 990 T HA -0.220 4.130 4.350 -0.000 0.000 0.270 990 T C 0.551 175.264 174.700 0.021 0.000 2.203 990 T CA 1.004 63.112 62.100 0.013 0.000 3.730 990 T CB -2.024 66.844 68.868 0.000 0.000 0.770 990 T HN 0.695 nan 8.240 nan 0.000 1.144 991 L N 0.868 122.112 121.223 0.034 0.000 2.046 991 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 991 L C 3.104 179.982 176.870 0.014 0.000 1.077 991 L CA 2.312 57.167 54.840 0.024 0.000 0.747 991 L CB -0.481 41.595 42.059 0.029 0.000 0.896 991 L HN 0.870 nan 8.230 nan 0.000 0.432 992 C N -1.150 118.163 119.300 0.021 0.000 2.413 992 C HA -0.212 4.248 4.460 -0.000 0.000 0.276 992 C C 2.563 177.560 174.990 0.011 0.000 1.236 992 C CA 0.583 59.610 59.018 0.015 0.000 1.735 992 C CB -1.327 26.430 27.740 0.028 0.000 2.031 992 C HN 0.584 nan 8.230 nan 0.000 0.474 993 L N 1.575 122.806 121.223 0.013 0.000 2.131 993 L HA -0.091 4.249 4.340 -0.000 0.000 0.210 993 L C 2.589 179.464 176.870 0.008 0.000 1.092 993 L CA 1.935 56.782 54.840 0.011 0.000 0.759 993 L CB -0.389 41.675 42.059 0.008 0.000 0.903 993 L HN 0.422 nan 8.230 nan 0.000 0.435 994 S N -0.814 114.890 115.700 0.006 0.000 2.453 994 S HA -0.089 4.381 4.470 -0.000 0.000 0.231 994 S C 1.573 176.173 174.600 -0.000 0.000 1.005 994 S CA 1.216 59.418 58.200 0.003 0.000 0.949 994 S CB 0.016 63.218 63.200 0.004 0.000 0.774 994 S HN 0.583 nan 8.310 nan 0.000 0.510 995 V N -1.969 117.943 119.914 -0.004 0.000 3.643 995 V HA 0.349 4.469 4.120 -0.000 0.000 0.280 995 V C 0.892 176.981 176.094 -0.009 0.000 1.351 995 V CA -0.760 61.534 62.300 -0.010 0.000 1.073 995 V CB -0.990 30.821 31.823 -0.020 0.000 0.863 995 V HN 0.435 nan 8.190 nan 0.000 0.436 996 C N 4.681 123.979 119.300 -0.002 0.000 2.634 996 C HA 0.329 4.789 4.460 -0.000 0.000 0.418 996 C C 0.519 175.512 174.990 0.005 0.000 1.373 996 C CA -0.185 58.834 59.018 0.002 0.000 1.756 996 C CB 0.734 28.480 27.740 0.010 0.000 2.589 996 C HN 0.590 nan 8.230 nan 0.000 0.602 997 P HA 0.038 nan 4.420 nan 0.000 0.225 997 P C 0.165 177.478 177.300 0.021 0.000 1.156 997 P CA 1.027 64.132 63.100 0.009 0.000 0.787 997 P CB -0.004 31.701 31.700 0.007 0.000 0.802 998 I N 1.770 122.355 120.570 0.025 0.000 2.304 998 I HA 0.216 4.386 4.170 -0.000 0.000 0.291 998 I C 1.004 177.149 176.117 0.046 0.000 1.018 998 I CA -1.814 59.511 61.300 0.041 0.000 1.260 998 I CB 0.624 38.631 38.000 0.012 0.000 1.390 998 I HN -0.162 nan 8.210 nan 0.000 0.475 999 I N 6.603 127.213 120.570 0.066 0.000 2.741 999 I HA -0.078 4.092 4.170 -0.000 0.000 0.288 999 I C 0.673 176.828 176.117 0.064 0.000 1.192 999 I CA 0.617 61.952 61.300 0.058 0.000 1.426 999 I CB -0.006 38.027 38.000 0.055 0.000 1.367 999 I HN 0.603 nan 8.210 nan 0.000 0.563 1000 D N 2.779 123.204 120.400 0.041 0.000 3.076 1000 D HA -0.225 4.415 4.640 -0.000 0.000 0.218 1000 D C 1.158 177.473 176.300 0.025 0.000 1.156 1000 D CA 1.004 55.025 54.000 0.034 0.000 0.921 1000 D CB -1.354 39.471 40.800 0.041 0.000 1.113 1000 D HN 0.832 nan 8.370 nan 0.000 0.418 1001 C N 0.246 119.557 119.300 0.018 0.000 2.446 1001 C HA 0.071 4.531 4.460 -0.000 0.000 0.277 1001 C C 1.213 176.208 174.990 0.009 0.000 1.275 1001 C CA 0.306 59.325 59.018 0.001 0.000 1.727 1001 C CB -0.455 27.283 27.740 -0.003 0.000 2.010 1001 C HN 0.339 nan 8.230 nan 0.000 0.486 1002 I N 1.112 121.690 120.570 0.014 0.000 2.412 1002 I HA 0.466 4.636 4.170 -0.000 0.000 0.296 1002 I C -0.120 176.005 176.117 0.012 0.000 0.987 1002 I CA -0.267 61.042 61.300 0.015 0.000 1.180 1002 I CB 1.186 39.197 38.000 0.018 0.000 1.340 1002 I HN 0.212 nan 8.210 nan 0.000 0.455 1003 R N 5.348 125.854 120.500 0.010 0.000 2.795 1003 R HA 0.631 4.971 4.340 -0.000 0.000 0.275 1003 R C -1.249 175.052 176.300 0.001 0.000 0.981 1003 R CA -1.100 55.004 56.100 0.005 0.000 0.917 1003 R CB 2.183 32.486 30.300 0.006 0.000 1.202 1003 R HN 0.381 nan 8.270 nan 0.000 0.469 1004 M N 2.832 122.428 119.600 -0.007 0.000 2.113 1004 M HA 0.291 4.771 4.480 -0.000 0.000 0.352 1004 M C -0.269 176.021 176.300 -0.017 0.000 1.170 1004 M CA -0.760 54.531 55.300 -0.015 0.000 1.053 1004 M CB 0.959 33.545 32.600 -0.024 0.000 1.601 1004 M HN 0.473 nan 8.290 nan 0.000 0.459 1005 V N 0.449 120.354 119.914 -0.016 0.000 2.960 1005 V HA 0.701 4.821 4.120 -0.000 0.000 0.315 1005 V C 0.265 176.346 176.094 -0.022 0.000 1.087 1005 V CA -0.926 61.365 62.300 -0.015 0.000 0.982 1005 V CB 1.685 33.504 31.823 -0.007 0.000 1.039 1005 V HN 0.787 nan 8.190 nan 0.000 0.437 1006 S N 2.168 117.855 115.700 -0.021 0.000 2.558 1006 S HA 0.171 4.641 4.470 -0.000 0.000 0.293 1006 S C 0.329 174.919 174.600 -0.018 0.000 1.292 1006 S CA -0.074 58.111 58.200 -0.025 0.000 1.063 1006 S CB -0.093 63.096 63.200 -0.019 0.000 0.831 1006 S HN 0.848 nan 8.310 nan 0.000 0.499 1007 R N 1.345 121.832 120.500 -0.022 0.000 2.491 1007 R HA 0.097 4.437 4.340 -0.000 0.000 0.283 1007 R C 1.301 177.605 176.300 0.006 0.000 1.072 1007 R CA 0.356 56.453 56.100 -0.005 0.000 1.048 1007 R CB 0.328 30.626 30.300 -0.003 0.000 0.983 1007 R HN 0.867 nan 8.270 nan 0.000 0.450 1008 T N -1.351 113.211 114.554 0.012 0.000 3.014 1008 T HA 0.019 4.369 4.350 -0.000 0.000 0.250 1008 T C 0.749 175.461 174.700 0.020 0.000 1.060 1008 T CA 0.249 62.356 62.100 0.013 0.000 1.040 1008 T CB 0.086 68.960 68.868 0.010 0.000 0.971 1008 T HN 0.642 nan 8.240 nan 0.000 0.497 1009 T N 1.097 115.668 114.554 0.028 0.000 2.928 1009 T HA 0.590 4.940 4.350 -0.000 0.000 0.284 1009 T C -3.118 171.612 174.700 0.049 0.000 1.008 1009 T CA -2.154 59.965 62.100 0.032 0.000 1.057 1009 T CB 1.010 69.897 68.868 0.031 0.000 1.018 1009 T HN -0.104 nan 8.240 nan 0.000 0.493 1010 P HA 0.141 nan 4.420 nan 0.000 0.267 1010 P C -1.174 176.168 177.300 0.071 0.000 1.209 1010 P CA -0.323 62.807 63.100 0.050 0.000 0.763 1010 P CB -0.038 31.674 31.700 0.019 0.000 0.816 1011 Y N 3.113 123.403 120.300 -0.017 0.000 2.335 1011 Y HA 0.294 4.844 4.550 -0.000 0.000 0.331 1011 Y C 0.217 176.107 175.900 -0.018 0.000 1.094 1011 Y CA -0.261 57.825 58.100 -0.023 0.000 1.253 1011 Y CB 0.774 39.217 38.460 -0.028 0.000 1.203 1011 Y HN 0.371 nan 8.280 nan 0.000 0.508 1012 E N 7.753 127.441 120.200 -0.852 0.000 2.302 1012 E HA 0.373 4.723 4.350 -0.000 0.000 0.263 1012 E C -2.782 173.339 176.600 -0.798 0.000 0.897 1012 E CA -2.362 53.647 56.400 -0.653 0.000 0.809 1012 E CB 1.216 30.745 29.700 -0.285 0.000 1.270 1012 E HN 0.488 nan 8.360 nan 0.000 0.410 1013 P HA 0.031 nan 4.420 nan 0.000 0.265 1013 P C -1.179 176.026 177.300 -0.158 0.000 1.193 1013 P CA 0.010 62.912 63.100 -0.331 0.000 0.765 1013 P CB 0.462 32.097 31.700 -0.108 0.000 0.823 1014 K N 3.433 123.798 120.400 -0.058 0.000 2.284 1014 K HA 0.191 4.511 4.320 -0.000 0.000 0.287 1014 K C 1.047 177.660 176.600 0.022 0.000 1.081 1014 K CA -0.462 55.823 56.287 -0.003 0.000 0.910 1014 K CB 0.920 33.458 32.500 0.064 0.000 1.088 1014 K HN 0.222 nan 8.250 nan 0.000 0.478 1015 R N 1.619 122.121 120.500 0.003 0.000 2.280 1015 R HA 0.055 4.395 4.340 -0.000 0.000 0.195 1015 R C 1.401 177.709 176.300 0.013 0.000 0.935 1015 R CA 0.725 56.831 56.100 0.009 0.000 1.033 1015 R CB -0.016 30.282 30.300 -0.002 0.000 0.964 1015 R HN 1.069 nan 8.270 nan 0.000 0.489 1016 G N 0.987 109.796 108.800 0.015 0.000 2.990 1016 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.225 1016 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.225 1016 G C 0.119 175.023 174.900 0.006 0.000 1.304 1016 G CA 0.200 45.307 45.100 0.013 0.000 0.816 1016 G HN 0.256 nan 8.290 nan 0.000 0.528 1017 L N 1.284 122.509 121.223 0.004 0.000 2.431 1017 L HA 0.502 4.842 4.340 -0.000 0.000 0.266 1017 L C -2.251 174.618 176.870 -0.001 0.000 0.978 1017 L CA -2.042 52.799 54.840 0.001 0.000 0.822 1017 L CB 2.388 44.447 42.059 0.001 0.000 1.310 1017 L HN 0.037 nan 8.230 nan 0.000 0.409 1018 P HA 0.144 nan 4.420 nan 0.000 0.269 1018 P C -0.797 176.502 177.300 -0.003 0.000 1.217 1018 P CA -0.096 63.001 63.100 -0.005 0.000 0.783 1018 P CB 0.537 32.234 31.700 -0.005 0.000 0.898 1019 L N 0.667 121.887 121.223 -0.004 0.000 2.399 1019 L HA 0.603 4.943 4.340 -0.000 0.000 0.265 1019 L C 0.726 177.594 176.870 -0.002 0.000 1.089 1019 L CA -0.694 54.145 54.840 -0.002 0.000 0.802 1019 L CB 0.977 43.035 42.059 -0.001 0.000 1.180 1019 L HN 0.419 nan 8.230 nan 0.000 0.454 1020 A N 0.000 122.819 122.820 -0.001 0.000 2.254 1020 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 1020 A CA 0.000 52.036 52.037 -0.001 0.000 0.836 1020 A CB 0.000 19.000 19.000 -0.001 0.000 0.831 1020 A HN 0.000 nan 8.150 nan 0.000 0.486