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 3k1q_1_W DATA FIRST_RESID 10 DATA SEQUENCE TYNITGDGNS FTPTSDMTST AAPAIDLKPG VLNPTGKLWR PVGTSVATID DATA SEQUENCE SLAIVSDRFG QYSFVNEGMR ETFSKALFDI NMWQPLFQAT KTGCGPIVLS DATA SEQUENCE SFTTTTSGYV GATAGDALDN PVTNGVFIST VQIMNLQRTI AARMRDVALW DATA SEQUENCE QKHLDTAMTM LTPDISAGSA SCNWKSLLAF AKDILPLDNL CLTYPNEFYN DATA SEQUENCE VAIHRYPALK PGNPDTKLPD AQAHPLGEVA GAFNAATSEV GSLVGSSSTL DATA SEQUENCE SQAISTMAGK DLDLIEADTP LPVSVFTPSL APRSYRPAFI KPEDAKWIAE DATA SEQUENCE FNNSSLIRKT LTYSGATYTV QLGPGPTRVI DMNAMIDSVL TLDVSGTILP DATA SEQUENCE YDTNPDLSTS VPAFVLIQTS VPIQQVTTAA NITAITVVSA AGASAINLAI DATA SEQUENCE NVRGQPRFNM LHLQATFERE TITGIPYIYG LGTFLIPSPT SSSNFSNPTL DATA SEQUENCE MDGLLTVTPV LLRETTYKGE VVDAIVPATV MANQTSEEVA SALANDAIVL DATA SEQUENCE VSNHLNKLAN VVGDAIPVAS RTDDSATSAI VSRLAVQHKL SQVGQASPTP DATA SEQUENCE PDYPLLWRRA KRAASMFVSN PSLALQVGIP VLTQSGMLSA LTSGVGTALR DATA SEQUENCE TGSLGKGVTD ASEKLRARQS LTVAKQAFFD QIGSLWPGK 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 10 T HA 0.000 nan 4.350 nan 0.000 0.228 10 T C 0.000 174.607 174.700 -0.155 0.000 1.109 10 T CA 0.000 62.023 62.100 -0.129 0.000 1.349 10 T CB 0.000 68.730 68.868 -0.230 0.000 0.612 11 Y N 2.311 122.637 120.300 0.043 0.000 2.360 11 Y HA 0.676 5.226 4.550 0.000 0.000 0.337 11 Y C 0.267 176.170 175.900 0.006 0.000 1.039 11 Y CA -1.488 56.630 58.100 0.030 0.000 1.109 11 Y CB 0.463 38.950 38.460 0.045 0.000 1.201 11 Y HN 0.774 nan 8.280 nan 0.000 0.458 12 N N 3.753 122.461 118.700 0.015 0.000 2.256 12 N HA -0.138 4.602 4.740 0.000 0.000 0.277 12 N C 0.922 176.462 175.510 0.051 0.000 1.362 12 N CA 0.510 53.558 53.050 -0.003 0.000 0.861 12 N CB 0.347 38.838 38.487 0.006 0.000 1.136 12 N HN 0.879 nan 8.380 nan 0.000 0.492 13 I N 1.076 121.589 120.570 -0.095 0.000 2.614 13 I HA -0.059 4.111 4.170 0.000 0.000 0.258 13 I C 1.269 177.192 176.117 -0.325 0.000 1.189 13 I CA 0.894 62.043 61.300 -0.252 0.000 1.462 13 I CB -0.606 37.067 38.000 -0.545 0.000 1.092 13 I HN 0.548 nan 8.210 nan 0.000 0.442 14 T N -0.538 113.900 114.554 -0.194 0.000 3.624 14 T HA 0.593 4.943 4.350 0.000 0.000 0.231 14 T C 0.505 175.142 174.700 -0.104 0.000 0.865 14 T CA -0.163 61.840 62.100 -0.162 0.000 0.926 14 T CB -0.987 67.809 68.868 -0.121 0.000 1.189 14 T HN 0.479 nan 8.240 nan 0.000 0.640 15 G N 0.746 109.487 108.800 -0.098 0.000 2.735 15 G HA2 0.621 4.581 3.960 0.000 0.000 0.301 15 G HA3 0.621 4.581 3.960 0.000 0.000 0.301 15 G C -1.330 173.538 174.900 -0.054 0.000 1.279 15 G CA -0.957 44.111 45.100 -0.053 0.000 1.019 15 G HN 0.510 nan 8.290 nan 0.000 0.497 16 D N -1.775 118.610 120.400 -0.025 0.000 2.252 16 D HA 0.534 5.174 4.640 0.000 0.000 0.245 16 D C 0.683 176.989 176.300 0.009 0.000 1.009 16 D CA -0.057 53.936 54.000 -0.012 0.000 0.870 16 D CB 1.801 42.594 40.800 -0.012 0.000 1.251 16 D HN 1.325 nan 8.370 nan 0.000 0.460 17 G N 2.252 111.069 108.800 0.029 0.000 2.316 17 G HA2 -0.250 3.710 3.960 0.000 0.000 0.203 17 G HA3 -0.250 3.710 3.960 0.000 0.000 0.203 17 G C 0.034 174.987 174.900 0.089 0.000 0.999 17 G CA -0.071 45.056 45.100 0.046 0.000 0.649 17 G HN 0.846 nan 8.290 nan 0.000 0.489 18 N N 1.446 120.224 118.700 0.130 0.000 2.434 18 N HA 0.414 5.154 4.740 0.000 0.000 0.268 18 N C -0.010 175.765 175.510 0.441 0.000 1.256 18 N CA 0.803 54.022 53.050 0.281 0.000 0.914 18 N CB 1.311 39.954 38.487 0.259 0.000 1.088 18 N HN 0.297 nan 8.380 nan 0.000 0.478 19 S N 2.449 118.344 115.700 0.325 0.000 2.548 19 S HA 0.300 4.770 4.470 0.000 0.000 0.277 19 S C -0.855 173.736 174.600 -0.016 0.000 1.315 19 S CA -0.763 57.538 58.200 0.170 0.000 1.050 19 S CB -0.260 62.971 63.200 0.052 0.000 0.918 19 S HN 0.547 nan 8.310 nan 0.000 0.497 20 F N 5.175 124.933 119.950 -0.320 0.000 2.366 20 F HA 0.376 4.903 4.527 0.000 0.000 0.357 20 F C 0.261 175.807 175.800 -0.425 0.000 1.107 20 F CA -0.531 57.055 58.000 -0.690 0.000 1.208 20 F CB 0.561 39.106 39.000 -0.760 0.000 1.464 20 F HN 0.562 nan 8.300 nan 0.000 0.501 21 T N 2.878 117.134 114.554 -0.497 0.000 3.250 21 T HA 0.404 4.754 4.350 0.000 0.000 0.391 21 T C -2.999 171.421 174.700 -0.467 0.000 1.502 21 T CA -2.309 59.547 62.100 -0.407 0.000 1.320 21 T CB 0.556 69.303 68.868 -0.202 0.000 1.102 21 T HN 0.254 nan 8.240 nan 0.000 0.610 22 P HA 0.255 nan 4.420 nan 0.000 0.276 22 P C -0.099 177.058 177.300 -0.238 0.000 1.264 22 P CA 0.183 63.017 63.100 -0.444 0.000 0.769 22 P CB 0.558 31.933 31.700 -0.542 0.000 0.840 23 T N -1.296 113.153 114.554 -0.177 0.000 2.907 23 T HA 0.313 4.663 4.350 0.000 0.000 0.292 23 T C 1.378 176.031 174.700 -0.078 0.000 1.043 23 T CA -0.468 61.569 62.100 -0.106 0.000 1.003 23 T CB 1.185 69.998 68.868 -0.092 0.000 1.084 23 T HN 0.222 nan 8.240 nan 0.000 0.483 24 S N 0.471 116.141 115.700 -0.049 0.000 2.402 24 S HA -0.241 4.229 4.470 0.000 0.000 0.233 24 S C 1.510 176.094 174.600 -0.025 0.000 1.030 24 S CA 1.502 59.684 58.200 -0.030 0.000 1.003 24 S CB -0.781 62.409 63.200 -0.017 0.000 0.813 24 S HN 0.858 nan 8.310 nan 0.000 0.477 25 D N 1.121 121.500 120.400 -0.036 0.000 2.149 25 D HA -0.088 4.552 4.640 0.000 0.000 0.198 25 D C 0.867 177.142 176.300 -0.042 0.000 0.990 25 D CA 0.994 54.971 54.000 -0.038 0.000 0.839 25 D CB -0.031 40.745 40.800 -0.041 0.000 0.948 25 D HN 0.458 nan 8.370 nan 0.000 0.460 26 M N 0.910 120.476 119.600 -0.057 0.000 3.109 26 M HA 0.121 4.601 4.480 0.000 0.000 0.274 26 M C -0.619 175.654 176.300 -0.044 0.000 1.171 26 M CA -0.186 55.074 55.300 -0.067 0.000 0.856 26 M CB 1.479 34.006 32.600 -0.121 0.000 1.335 26 M HN -0.315 nan 8.290 nan 0.000 0.531 27 T N 1.019 115.563 114.554 -0.016 0.000 2.750 27 T HA 0.137 4.487 4.350 0.000 0.000 0.286 27 T C 0.657 175.383 174.700 0.042 0.000 0.911 27 T CA 0.083 62.184 62.100 0.003 0.000 1.130 27 T CB 0.039 68.914 68.868 0.013 0.000 0.873 27 T HN 0.462 nan 8.240 nan 0.000 0.536 28 S N 2.982 118.718 115.700 0.060 0.000 2.836 28 S HA 0.013 4.483 4.470 0.000 0.000 0.344 28 S C 0.685 175.359 174.600 0.123 0.000 1.215 28 S CA 0.348 58.652 58.200 0.173 0.000 0.988 28 S CB 0.079 63.344 63.200 0.108 0.000 0.654 28 S HN 0.929 nan 8.310 nan 0.000 0.458 29 T N 0.032 114.666 114.554 0.133 0.000 2.927 29 T HA 0.551 4.901 4.350 0.000 0.000 0.350 29 T C -1.018 173.711 174.700 0.047 0.000 1.746 29 T CA 0.144 62.298 62.100 0.090 0.000 1.081 29 T CB 0.757 69.665 68.868 0.066 0.000 1.551 29 T HN 1.142 nan 8.240 nan 0.000 0.489 30 A N 1.673 124.518 122.820 0.042 0.000 2.548 30 A HA 1.004 5.324 4.320 0.000 0.000 0.282 30 A C -0.769 176.830 177.584 0.026 0.000 1.288 30 A CA -0.202 51.840 52.037 0.008 0.000 0.748 30 A CB 0.845 19.861 19.000 0.027 0.000 1.339 30 A HN 1.605 nan 8.150 nan 0.000 0.475 31 A N 0.640 123.478 122.820 0.029 0.000 2.511 31 A HA 0.626 4.946 4.320 0.000 0.000 0.340 31 A C -1.849 175.770 177.584 0.059 0.000 1.396 31 A CA -1.245 50.817 52.037 0.042 0.000 0.887 31 A CB -0.438 18.583 19.000 0.035 0.000 1.145 31 A HN 0.439 nan 8.150 nan 0.000 0.497 32 P HA 0.104 nan 4.420 nan 0.000 0.213 32 P C 0.521 177.853 177.300 0.053 0.000 1.170 32 P CA 1.745 64.886 63.100 0.069 0.000 0.893 32 P CB 0.325 32.064 31.700 0.065 0.000 0.784 33 A N -1.280 121.565 122.820 0.041 0.000 2.572 33 A HA 0.636 4.956 4.320 0.000 0.000 0.295 33 A C -1.145 176.458 177.584 0.032 0.000 1.072 33 A CA -0.595 51.461 52.037 0.032 0.000 0.691 33 A CB 0.782 19.798 19.000 0.027 0.000 1.291 33 A HN 0.062 nan 8.150 nan 0.000 0.404 34 I N -1.689 118.903 120.570 0.036 0.000 2.797 34 I HA 0.694 4.864 4.170 0.000 0.000 0.307 34 I C -0.303 175.841 176.117 0.045 0.000 1.033 34 I CA -0.844 60.484 61.300 0.047 0.000 1.071 34 I CB 1.230 39.273 38.000 0.070 0.000 1.255 34 I HN 0.483 nan 8.210 nan 0.000 0.445 35 D N 2.624 123.043 120.400 0.031 0.000 2.412 35 D HA 0.178 4.818 4.640 0.000 0.000 0.257 35 D C -0.359 175.963 176.300 0.037 0.000 1.217 35 D CA 0.584 54.597 54.000 0.021 0.000 0.897 35 D CB 0.506 41.305 40.800 -0.002 0.000 1.132 35 D HN 0.665 nan 8.370 nan 0.000 0.493 36 L N 3.964 125.211 121.223 0.040 0.000 3.186 36 L HA 0.266 4.606 4.340 0.000 0.000 0.292 36 L C 0.039 176.924 176.870 0.025 0.000 1.303 36 L CA -0.464 54.406 54.840 0.050 0.000 0.940 36 L CB -0.069 42.037 42.059 0.078 0.000 1.358 36 L HN 0.225 nan 8.230 nan 0.000 0.581 37 K N 0.502 120.906 120.400 0.008 0.000 2.350 37 K HA 0.205 4.525 4.320 0.000 0.000 0.279 37 K C -1.623 174.977 176.600 -0.001 0.000 1.027 37 K CA -1.294 54.995 56.287 0.002 0.000 0.969 37 K CB 1.267 33.764 32.500 -0.005 0.000 0.954 37 K HN -0.002 nan 8.250 nan 0.000 0.474 38 P HA -0.195 nan 4.420 nan 0.000 0.214 38 P C 0.994 178.291 177.300 -0.004 0.000 1.163 38 P CA 1.650 64.750 63.100 0.001 0.000 0.889 38 P CB 0.032 31.734 31.700 0.003 0.000 0.790 39 G N -0.512 108.285 108.800 -0.004 0.000 2.547 39 G HA2 -0.307 3.653 3.960 0.000 0.000 0.221 39 G HA3 -0.307 3.653 3.960 0.000 0.000 0.221 39 G C 1.623 176.516 174.900 -0.012 0.000 1.140 39 G CA 1.138 46.235 45.100 -0.005 0.000 0.760 39 G HN 0.226 nan 8.290 nan 0.000 0.583 40 V N 0.553 120.456 119.914 -0.019 0.000 2.871 40 V HA 0.037 4.157 4.120 0.000 0.000 0.256 40 V C 2.795 178.856 176.094 -0.054 0.000 1.082 40 V CA 0.961 63.240 62.300 -0.035 0.000 1.105 40 V CB -0.056 31.745 31.823 -0.037 0.000 0.713 40 V HN 0.359 nan 8.190 nan 0.000 0.473 41 L N 0.332 121.530 121.223 -0.042 0.000 2.191 41 L HA -0.185 4.155 4.340 0.000 0.000 0.212 41 L C 2.306 179.144 176.870 -0.054 0.000 1.103 41 L CA 1.604 56.411 54.840 -0.055 0.000 0.769 41 L CB -0.789 41.255 42.059 -0.025 0.000 0.908 41 L HN 0.472 nan 8.230 nan 0.000 0.438 42 N N 0.577 119.260 118.700 -0.028 0.000 2.022 42 N HA -0.109 4.631 4.740 0.000 0.000 0.195 42 N C -1.429 174.080 175.510 -0.003 0.000 1.063 42 N CA 0.566 53.611 53.050 -0.008 0.000 0.851 42 N CB -0.901 37.593 38.487 0.012 0.000 1.050 42 N HN 0.042 nan 8.380 nan 0.000 0.425 43 P HA -0.142 nan 4.420 nan 0.000 0.191 43 P C -0.497 176.850 177.300 0.078 0.000 0.906 43 P CA 0.952 64.079 63.100 0.044 0.000 1.011 43 P CB -0.118 31.603 31.700 0.034 0.000 1.090 44 T N 0.908 115.533 114.554 0.118 0.000 3.553 44 T HA 0.220 4.570 4.350 0.000 0.000 0.144 44 T C 0.343 175.131 174.700 0.147 0.000 0.676 44 T CA 0.482 62.651 62.100 0.115 0.000 0.824 44 T CB -0.672 68.262 68.868 0.110 0.000 0.880 44 T HN 0.228 nan 8.240 nan 0.000 0.260 45 G N 3.189 112.108 108.800 0.197 0.000 2.299 45 G HA2 0.433 4.393 3.960 0.000 0.000 0.256 45 G HA3 0.433 4.393 3.960 0.000 0.000 0.256 45 G C -0.288 174.765 174.900 0.254 0.000 1.259 45 G CA 0.150 45.394 45.100 0.240 0.000 0.943 45 G HN 0.562 nan 8.290 nan 0.000 0.479 46 K N 2.308 122.857 120.400 0.247 0.000 2.237 46 K HA 0.323 4.643 4.320 0.000 0.000 0.270 46 K C -0.155 176.525 176.600 0.132 0.000 1.015 46 K CA -0.591 55.755 56.287 0.097 0.000 0.949 46 K CB 0.965 33.404 32.500 -0.103 0.000 0.976 46 K HN 0.334 nan 8.250 nan 0.000 0.472 47 L N 5.040 126.285 121.223 0.037 0.000 2.290 47 L HA 0.420 4.760 4.340 0.000 0.000 0.284 47 L C -1.127 175.759 176.870 0.027 0.000 1.078 47 L CA -0.039 54.891 54.840 0.150 0.000 0.815 47 L CB 0.243 42.412 42.059 0.183 0.000 1.162 47 L HN 0.690 nan 8.230 nan 0.000 0.435 48 W N 4.324 125.696 121.300 0.119 0.000 3.307 48 W HA 0.732 5.392 4.660 0.000 0.000 0.325 48 W C -0.613 176.019 176.519 0.190 0.000 1.255 48 W CA -0.819 56.589 57.345 0.105 0.000 1.006 48 W CB 0.765 30.280 29.460 0.092 0.000 1.608 48 W HN 0.131 nan 8.180 nan 0.000 0.620 49 R N 0.565 121.306 120.500 0.402 0.000 2.604 49 R HA 0.255 4.595 4.340 0.000 0.000 0.270 49 R C -2.785 173.549 176.300 0.057 0.000 1.052 49 R CA -2.512 53.754 56.100 0.276 0.000 0.902 49 R CB 0.945 31.348 30.300 0.171 0.000 1.233 49 R HN 0.063 nan 8.270 nan 0.000 0.455 50 P HA 0.023 nan 4.420 nan 0.000 0.244 50 P C 0.463 177.746 177.300 -0.030 0.000 1.723 50 P CA 0.362 63.397 63.100 -0.109 0.000 1.110 50 P CB 0.101 31.751 31.700 -0.083 0.000 1.972 51 V N 1.782 121.679 119.914 -0.028 0.000 0.588 51 V HA -0.374 3.746 4.120 0.000 0.000 0.092 51 V C 1.728 177.832 176.094 0.017 0.000 1.830 51 V CA 2.569 64.867 62.300 -0.003 0.000 3.401 51 V CB -2.312 29.504 31.823 -0.012 0.000 0.689 51 V HN 0.592 nan 8.190 nan 0.000 0.712 52 G N -1.926 106.886 108.800 0.020 0.000 3.990 52 G HA2 0.222 4.182 3.960 0.000 0.000 0.213 52 G HA3 0.222 4.182 3.960 0.000 0.000 0.213 52 G C 0.168 175.086 174.900 0.029 0.000 0.849 52 G CA 0.905 46.022 45.100 0.028 0.000 0.857 52 G HN 1.469 nan 8.290 nan 0.000 0.484 53 T N 0.928 115.495 114.554 0.021 0.000 2.698 53 T HA 0.537 4.887 4.350 0.000 0.000 0.295 53 T C 1.405 176.124 174.700 0.031 0.000 1.007 53 T CA 0.717 62.830 62.100 0.021 0.000 0.980 53 T CB 0.882 69.757 68.868 0.012 0.000 1.036 53 T HN 1.050 nan 8.240 nan 0.000 0.526 54 S N -0.478 115.240 115.700 0.029 0.000 2.650 54 S HA 0.184 4.654 4.470 0.000 0.000 0.251 54 S C 0.361 174.986 174.600 0.041 0.000 1.325 54 S CA -0.948 57.274 58.200 0.035 0.000 0.967 54 S CB -0.336 62.879 63.200 0.025 0.000 1.000 54 S HN 0.680 nan 8.310 nan 0.000 0.584 55 V N 1.531 121.472 119.914 0.045 0.000 2.326 55 V HA 0.534 4.654 4.120 0.000 0.000 0.249 55 V C 0.873 176.987 176.094 0.033 0.000 1.114 55 V CA 0.661 62.994 62.300 0.055 0.000 1.028 55 V CB -0.952 30.909 31.823 0.062 0.000 1.170 55 V HN 1.051 nan 8.190 nan 0.000 0.494 56 A N 3.373 126.206 122.820 0.022 0.000 1.519 56 A HA 0.086 4.406 4.320 0.000 0.000 0.210 56 A C 1.614 179.190 177.584 -0.014 0.000 1.889 56 A CA 0.595 52.634 52.037 0.005 0.000 1.478 56 A CB -0.016 18.986 19.000 0.003 0.000 1.432 56 A HN 0.594 nan 8.150 nan 0.000 0.340 57 T N 0.682 115.223 114.554 -0.023 0.000 3.541 57 T HA 0.129 4.479 4.350 0.000 0.000 0.255 57 T C 1.412 176.050 174.700 -0.104 0.000 1.158 57 T CA 0.835 62.904 62.100 -0.051 0.000 1.000 57 T CB -1.072 67.770 68.868 -0.043 0.000 1.008 57 T HN 0.376 nan 8.240 nan 0.000 0.568 58 I N 2.905 123.408 120.570 -0.111 0.000 2.229 58 I HA -0.332 3.838 4.170 0.000 0.000 0.250 58 I C 2.693 178.681 176.117 -0.215 0.000 1.096 58 I CA 1.961 63.150 61.300 -0.186 0.000 1.358 58 I CB -0.696 37.257 38.000 -0.078 0.000 1.047 58 I HN 0.467 nan 8.210 nan 0.000 0.422 59 D N 0.285 120.603 120.400 -0.137 0.000 2.280 59 D HA -0.151 4.489 4.640 0.000 0.000 0.206 59 D C 0.649 176.862 176.300 -0.145 0.000 0.988 59 D CA 1.023 54.948 54.000 -0.125 0.000 0.886 59 D CB -0.114 40.637 40.800 -0.081 0.000 0.914 59 D HN 0.354 nan 8.370 nan 0.000 0.473 60 S N -0.250 115.355 115.700 -0.159 0.000 2.561 60 S HA 0.566 5.036 4.470 0.000 0.000 0.303 60 S C -0.376 174.117 174.600 -0.179 0.000 1.110 60 S CA -0.848 57.270 58.200 -0.136 0.000 1.034 60 S CB 1.893 65.048 63.200 -0.076 0.000 1.010 60 S HN 0.165 nan 8.310 nan 0.000 0.482 61 L N 2.181 123.303 121.223 -0.168 0.000 2.386 61 L HA 0.876 5.216 4.340 0.000 0.000 0.271 61 L C -0.172 176.840 176.870 0.236 0.000 0.993 61 L CA -1.032 53.773 54.840 -0.060 0.000 0.819 61 L CB 1.785 43.686 42.059 -0.263 0.000 1.294 61 L HN 0.664 nan 8.230 nan 0.000 0.414 62 A N 3.014 125.987 122.820 0.256 0.000 2.304 62 A HA 0.758 5.078 4.320 0.000 0.000 0.323 62 A C -0.222 177.476 177.584 0.191 0.000 1.195 62 A CA -0.635 51.535 52.037 0.222 0.000 0.826 62 A CB 0.583 19.625 19.000 0.071 0.000 1.184 62 A HN 0.713 nan 8.150 nan 0.000 0.496 63 I N 1.954 122.472 120.570 -0.086 0.000 2.710 63 I HA 0.342 4.512 4.170 0.000 0.000 0.286 63 I C 0.861 176.822 176.117 -0.260 0.000 1.181 63 I CA -0.600 60.476 61.300 -0.374 0.000 1.430 63 I CB -0.246 37.322 38.000 -0.721 0.000 1.367 63 I HN 0.592 nan 8.210 nan 0.000 0.577 64 V N 2.440 122.203 119.914 -0.251 0.000 3.747 64 V HA 0.022 4.142 4.120 0.000 0.000 0.299 64 V C 0.928 176.760 176.094 -0.436 0.000 1.103 64 V CA -0.037 62.102 62.300 -0.268 0.000 1.154 64 V CB 0.651 32.362 31.823 -0.187 0.000 1.127 64 V HN 1.000 nan 8.190 nan 0.000 0.482 65 S N 1.242 116.649 115.700 -0.489 0.000 3.517 65 S HA 0.108 4.578 4.470 0.000 0.000 0.284 65 S C 0.971 175.057 174.600 -0.856 0.000 1.260 65 S CA 0.018 57.840 58.200 -0.631 0.000 0.975 65 S CB -1.179 61.665 63.200 -0.594 0.000 1.540 65 S HN 1.037 nan 8.310 nan 0.000 0.506 66 D N 4.420 124.298 120.400 -0.870 0.000 2.178 66 D HA -0.208 4.432 4.640 0.000 0.000 0.201 66 D C 1.705 177.608 176.300 -0.661 0.000 0.980 66 D CA 0.768 54.102 54.000 -1.110 0.000 0.842 66 D CB -0.290 40.037 40.800 -0.789 0.000 0.948 66 D HN 0.526 nan 8.370 nan 0.000 0.472 67 R N -0.288 119.845 120.500 -0.611 0.000 2.224 67 R HA -0.234 4.106 4.340 0.000 0.000 0.255 67 R C 1.062 177.123 176.300 -0.399 0.000 1.130 67 R CA 2.617 58.382 56.100 -0.557 0.000 0.957 67 R CB -0.455 29.385 30.300 -0.766 0.000 0.907 67 R HN 0.521 nan 8.270 nan 0.000 0.446 68 F N -5.050 114.863 119.950 -0.061 0.000 3.083 68 F HA 0.545 5.072 4.527 0.000 0.000 0.355 68 F C 0.157 176.008 175.800 0.085 0.000 1.194 68 F CA -0.143 57.875 58.000 0.029 0.000 1.027 68 F CB 0.174 39.185 39.000 0.018 0.000 1.386 68 F HN 0.078 nan 8.300 nan 0.000 0.513 69 G N -0.031 108.719 108.800 -0.085 0.000 2.619 69 G HA2 0.333 4.293 3.960 0.000 0.000 0.146 69 G HA3 0.333 4.293 3.960 0.000 0.000 0.146 69 G C -1.376 173.029 174.900 -0.824 0.000 1.192 69 G CA -0.713 44.352 45.100 -0.060 0.000 1.063 69 G HN -0.033 nan 8.290 nan 0.000 0.538 70 Q N 0.708 119.493 119.800 -1.691 0.000 3.339 70 Q HA -0.040 4.300 4.340 0.000 0.000 0.293 70 Q C -0.806 174.636 176.000 -0.930 0.000 1.307 70 Q CA 0.965 55.711 55.803 -1.762 0.000 0.927 70 Q CB -1.016 27.232 28.738 -0.817 0.000 0.947 70 Q HN 0.451 nan 8.270 nan 0.000 0.432 71 Y N -0.824 119.072 120.300 -0.673 0.000 2.780 71 Y HA 0.412 4.962 4.550 0.000 0.000 0.340 71 Y C 1.289 177.193 175.900 0.007 0.000 1.216 71 Y CA -1.155 56.852 58.100 -0.156 0.000 1.245 71 Y CB 0.604 39.079 38.460 0.024 0.000 1.492 71 Y HN 0.239 nan 8.280 nan 0.000 0.660 72 S N 0.638 116.480 115.700 0.235 0.000 2.560 72 S HA -0.070 4.400 4.470 0.000 0.000 0.276 72 S C -0.605 174.052 174.600 0.096 0.000 1.350 72 S CA -0.424 57.864 58.200 0.146 0.000 1.024 72 S CB -0.228 63.036 63.200 0.108 0.000 0.864 72 S HN 0.360 nan 8.310 nan 0.000 0.536 73 F N 3.072 123.106 119.950 0.140 0.000 2.539 73 F HA 0.041 4.568 4.527 0.000 0.000 0.393 73 F C 0.320 176.163 175.800 0.072 0.000 1.032 73 F CA -0.030 58.034 58.000 0.107 0.000 1.120 73 F CB -0.201 38.851 39.000 0.087 0.000 1.014 73 F HN 0.220 nan 8.300 nan 0.000 0.546 74 V N 5.800 125.023 119.914 -1.153 0.000 2.763 74 V HA -0.133 3.987 4.120 0.000 0.000 0.306 74 V C 0.707 176.597 176.094 -0.339 0.000 1.059 74 V CA -0.546 61.404 62.300 -0.583 0.000 1.138 74 V CB 0.333 31.872 31.823 -0.474 0.000 0.940 74 V HN 0.673 nan 8.190 nan 0.000 0.489 75 N N 3.334 121.922 118.700 -0.186 0.000 2.399 75 N HA -0.049 4.691 4.740 0.000 0.000 0.284 75 N C 1.248 176.691 175.510 -0.112 0.000 1.283 75 N CA 0.488 53.471 53.050 -0.113 0.000 0.972 75 N CB 0.036 38.436 38.487 -0.145 0.000 1.328 75 N HN 0.836 nan 8.380 nan 0.000 0.486 76 E N 2.550 122.743 120.200 -0.013 0.000 2.172 76 E HA -0.289 4.061 4.350 0.000 0.000 0.213 76 E C 1.366 177.926 176.600 -0.067 0.000 1.051 76 E CA 1.974 58.373 56.400 -0.002 0.000 0.860 76 E CB -0.115 29.621 29.700 0.060 0.000 0.755 76 E HN 0.782 nan 8.360 nan 0.000 0.462 77 G N 0.480 109.225 108.800 -0.093 0.000 2.394 77 G HA2 -0.243 3.717 3.960 0.000 0.000 0.215 77 G HA3 -0.243 3.717 3.960 0.000 0.000 0.215 77 G C 1.489 176.246 174.900 -0.238 0.000 1.165 77 G CA 0.707 45.729 45.100 -0.130 0.000 0.784 77 G HN 0.267 nan 8.290 nan 0.000 0.535 78 M N 1.148 120.554 119.600 -0.324 0.000 2.132 78 M HA -0.062 4.418 4.480 0.000 0.000 0.263 78 M C 2.863 178.812 176.300 -0.585 0.000 1.065 78 M CA 1.689 56.618 55.300 -0.618 0.000 1.122 78 M CB -0.141 32.103 32.600 -0.593 0.000 1.365 78 M HN 0.352 nan 8.290 nan 0.000 0.411 79 R N 0.061 120.374 120.500 -0.311 0.000 2.094 79 R HA -0.194 4.146 4.340 0.000 0.000 0.239 79 R C 1.736 177.947 176.300 -0.149 0.000 1.137 79 R CA 2.065 58.052 56.100 -0.188 0.000 0.943 79 R CB -1.205 29.021 30.300 -0.124 0.000 0.850 79 R HN 0.498 nan 8.270 nan 0.000 0.433 80 E N 0.693 120.808 120.200 -0.143 0.000 2.051 80 E HA -0.176 4.174 4.350 0.000 0.000 0.192 80 E C 2.297 178.814 176.600 -0.138 0.000 0.991 80 E CA 2.076 58.407 56.400 -0.115 0.000 0.799 80 E CB -0.239 29.413 29.700 -0.081 0.000 0.748 80 E HN 0.669 nan 8.360 nan 0.000 0.449 81 T N 0.179 114.636 114.554 -0.160 0.000 2.607 81 T HA -0.202 4.148 4.350 0.000 0.000 0.267 81 T C 1.828 176.553 174.700 0.043 0.000 1.049 81 T CA 1.256 63.292 62.100 -0.106 0.000 1.162 81 T CB -0.633 68.141 68.868 -0.156 0.000 0.863 81 T HN -0.028 nan 8.240 nan 0.000 0.424 82 F N 1.967 121.807 119.950 -0.182 0.000 2.120 82 F HA -0.015 4.512 4.527 0.000 0.000 0.300 82 F C 3.216 178.842 175.800 -0.291 0.000 1.095 82 F CA 0.491 58.364 58.000 -0.213 0.000 1.249 82 F CB -1.663 37.219 39.000 -0.196 0.000 0.995 82 F HN 0.320 nan 8.300 nan 0.000 0.480 83 S N -0.119 115.484 115.700 -0.161 0.000 2.370 83 S HA -0.174 4.296 4.470 0.000 0.000 0.226 83 S C 2.219 176.247 174.600 -0.954 0.000 1.033 83 S CA 1.161 59.100 58.200 -0.434 0.000 1.011 83 S CB -0.119 62.875 63.200 -0.342 0.000 0.852 83 S HN 0.157 nan 8.310 nan 0.000 0.457 84 K N 1.682 121.645 120.400 -0.728 0.000 2.063 84 K HA 0.016 4.336 4.320 0.000 0.000 0.208 84 K C 2.377 178.773 176.600 -0.341 0.000 1.048 84 K CA 1.341 57.241 56.287 -0.646 0.000 0.928 84 K CB -1.316 31.048 32.500 -0.227 0.000 0.713 84 K HN 0.462 nan 8.250 nan 0.000 0.442 85 A N 1.695 124.393 122.820 -0.204 0.000 1.883 85 A HA -0.180 4.140 4.320 0.000 0.000 0.217 85 A C 2.252 179.771 177.584 -0.108 0.000 1.186 85 A CA 1.587 53.558 52.037 -0.111 0.000 0.624 85 A CB -0.721 18.215 19.000 -0.106 0.000 0.822 85 A HN 0.236 nan 8.150 nan 0.000 0.444 86 L N -0.740 120.378 121.223 -0.175 0.000 2.127 86 L HA -0.120 4.220 4.340 0.000 0.000 0.211 86 L C 2.193 179.120 176.870 0.095 0.000 1.089 86 L CA 1.693 56.485 54.840 -0.079 0.000 0.757 86 L CB -0.693 41.305 42.059 -0.101 0.000 0.899 86 L HN 0.498 nan 8.230 nan 0.000 0.434 87 F N -0.508 119.420 119.950 -0.037 0.000 2.186 87 F HA -0.231 4.296 4.527 0.000 0.000 0.299 87 F C 2.071 177.845 175.800 -0.042 0.000 1.090 87 F CA 0.485 58.460 58.000 -0.042 0.000 1.307 87 F CB -0.494 38.481 39.000 -0.043 0.000 1.019 87 F HN 0.168 nan 8.300 nan 0.000 0.489 88 D N 1.168 121.657 120.400 0.148 0.000 2.154 88 D HA -0.246 4.394 4.640 0.000 0.000 0.190 88 D C 2.144 178.582 176.300 0.231 0.000 1.003 88 D CA 1.674 55.738 54.000 0.107 0.000 0.849 88 D CB -0.258 40.619 40.800 0.129 0.000 0.942 88 D HN 0.094 nan 8.370 nan 0.000 0.446 89 I N 0.714 121.402 120.570 0.197 0.000 2.286 89 I HA -0.205 3.965 4.170 0.000 0.000 0.248 89 I C 1.650 177.820 176.117 0.089 0.000 1.115 89 I CA 1.237 62.605 61.300 0.113 0.000 1.392 89 I CB -1.337 36.547 38.000 -0.192 0.000 1.065 89 I HN 0.156 nan 8.210 nan 0.000 0.418 90 N N 1.121 119.861 118.700 0.067 0.000 2.205 90 N HA -0.192 4.548 4.740 0.000 0.000 0.186 90 N C 1.831 177.376 175.510 0.058 0.000 1.015 90 N CA 1.136 54.213 53.050 0.045 0.000 0.862 90 N CB -0.250 38.263 38.487 0.043 0.000 0.986 90 N HN 0.388 nan 8.380 nan 0.000 0.429 91 M N -0.697 118.931 119.600 0.046 0.000 2.267 91 M HA -0.134 4.346 4.480 0.000 0.000 0.263 91 M C 0.791 177.141 176.300 0.084 0.000 1.063 91 M CA 1.280 56.537 55.300 -0.072 0.000 1.090 91 M CB -0.093 32.317 32.600 -0.317 0.000 1.392 91 M HN 0.285 nan 8.290 nan 0.000 0.422 92 W N 0.484 121.885 121.300 0.168 0.000 3.102 92 W HA 0.221 4.881 4.660 0.000 0.000 0.401 92 W C 1.557 178.264 176.519 0.314 0.000 1.070 92 W CA -0.341 57.186 57.345 0.305 0.000 1.921 92 W CB -0.435 29.358 29.460 0.555 0.000 1.118 92 W HN 0.417 nan 8.180 nan 0.000 0.647 93 Q N 1.561 121.564 119.800 0.339 0.000 2.096 93 Q HA -0.214 4.126 4.340 0.000 0.000 0.208 93 Q C -0.134 175.996 176.000 0.216 0.000 0.993 93 Q CA 2.380 58.316 55.803 0.222 0.000 0.862 93 Q CB -0.855 27.940 28.738 0.096 0.000 0.915 93 Q HN 0.024 nan 8.270 nan 0.000 0.416 94 P HA -0.180 nan 4.420 nan 0.000 0.218 94 P C 1.246 178.580 177.300 0.057 0.000 1.148 94 P CA 1.004 64.165 63.100 0.102 0.000 0.822 94 P CB 0.011 31.756 31.700 0.075 0.000 0.784 95 L N -1.411 119.867 121.223 0.091 0.000 2.068 95 L HA 0.073 4.413 4.340 0.000 0.000 0.204 95 L C 2.528 179.317 176.870 -0.135 0.000 1.076 95 L CA 1.421 56.181 54.840 -0.134 0.000 0.753 95 L CB -1.540 40.352 42.059 -0.278 0.000 0.910 95 L HN -0.263 nan 8.230 nan 0.000 0.439 96 F N 0.338 120.326 119.950 0.063 0.000 2.063 96 F HA -0.346 4.181 4.527 0.000 0.000 0.298 96 F C 2.741 178.565 175.800 0.039 0.000 1.109 96 F CA 2.248 60.341 58.000 0.155 0.000 1.212 96 F CB -0.565 38.553 39.000 0.198 0.000 0.973 96 F HN 0.205 nan 8.300 nan 0.000 0.480 97 Q N -0.651 119.282 119.800 0.221 0.000 2.096 97 Q HA -0.234 4.106 4.340 0.000 0.000 0.204 97 Q C 2.406 178.420 176.000 0.023 0.000 0.982 97 Q CA 1.657 57.524 55.803 0.106 0.000 0.850 97 Q CB -0.420 28.367 28.738 0.082 0.000 0.901 97 Q HN 0.469 nan 8.270 nan 0.000 0.422 98 A N 0.277 123.076 122.820 -0.036 0.000 1.969 98 A HA -0.145 4.175 4.320 0.000 0.000 0.218 98 A C 2.123 179.620 177.584 -0.144 0.000 1.169 98 A CA 1.699 53.675 52.037 -0.102 0.000 0.635 98 A CB -0.753 18.146 19.000 -0.168 0.000 0.810 98 A HN 0.539 nan 8.150 nan 0.000 0.445 99 T N -3.227 111.216 114.554 -0.185 0.000 3.163 99 T HA 0.091 4.441 4.350 0.000 0.000 0.260 99 T C 0.701 175.362 174.700 -0.065 0.000 1.156 99 T CA 0.800 62.795 62.100 -0.175 0.000 1.072 99 T CB -0.379 68.356 68.868 -0.222 0.000 0.937 99 T HN 0.418 nan 8.240 nan 0.000 0.528 100 K N 1.347 121.736 120.400 -0.019 0.000 2.975 100 K HA -0.144 4.176 4.320 0.000 0.000 0.257 100 K C 0.452 177.078 176.600 0.042 0.000 1.005 100 K CA 1.203 57.501 56.287 0.017 0.000 0.738 100 K CB -2.421 30.080 32.500 0.002 0.000 1.236 100 K HN 0.773 nan 8.250 nan 0.000 0.483 101 T N -2.774 111.826 114.554 0.077 0.000 3.285 101 T HA 0.439 4.789 4.350 0.000 0.000 0.232 101 T C 1.120 175.928 174.700 0.181 0.000 0.973 101 T CA -0.186 61.973 62.100 0.098 0.000 1.023 101 T CB 0.579 69.463 68.868 0.027 0.000 1.158 101 T HN 0.623 nan 8.240 nan 0.000 0.590 102 G N 0.305 109.182 108.800 0.128 0.000 2.258 102 G HA2 -0.370 3.590 3.960 0.000 0.000 0.274 102 G HA3 -0.370 3.590 3.960 0.000 0.000 0.274 102 G C 1.338 176.317 174.900 0.132 0.000 1.021 102 G CA 0.090 45.258 45.100 0.113 0.000 0.798 102 G HN 0.816 nan 8.290 nan 0.000 0.507 103 C N 0.275 119.685 119.300 0.183 0.000 2.396 103 C HA 0.122 4.582 4.460 0.000 0.000 0.279 103 C C 2.600 177.609 174.990 0.032 0.000 1.229 103 C CA 1.365 60.477 59.018 0.156 0.000 1.801 103 C CB -1.269 26.590 27.740 0.199 0.000 2.050 103 C HN 1.778 nan 8.230 nan 0.000 0.491 104 G N 3.387 112.214 108.800 0.044 0.000 2.193 104 G HA2 0.149 4.109 3.960 0.000 0.000 0.275 104 G HA3 0.149 4.109 3.960 0.000 0.000 0.275 104 G C -1.642 173.267 174.900 0.014 0.000 0.882 104 G CA -0.167 44.951 45.100 0.029 0.000 1.135 104 G HN 0.721 nan 8.290 nan 0.000 0.349 105 P HA -0.067 nan 4.420 nan 0.000 0.253 105 P C 1.421 178.741 177.300 0.033 0.000 1.170 105 P CA -0.087 63.017 63.100 0.006 0.000 0.806 105 P CB 0.485 32.194 31.700 0.015 0.000 0.775 106 I N 3.958 124.546 120.570 0.030 0.000 2.191 106 I HA -0.360 3.810 4.170 0.000 0.000 0.248 106 I C 1.198 177.385 176.117 0.117 0.000 1.061 106 I CA 1.975 63.319 61.300 0.073 0.000 1.329 106 I CB -0.744 37.277 38.000 0.035 0.000 1.024 106 I HN 0.428 nan 8.210 nan 0.000 0.423 107 V N -1.383 118.580 119.914 0.081 0.000 5.981 107 V HA -0.248 3.872 4.120 0.000 0.000 0.233 107 V C 0.887 177.051 176.094 0.117 0.000 0.653 107 V CA 0.551 62.907 62.300 0.092 0.000 0.677 107 V CB -2.136 29.737 31.823 0.083 0.000 0.632 107 V HN 0.354 nan 8.190 nan 0.000 0.464 108 L N 3.607 124.846 121.223 0.026 0.000 2.103 108 L HA -0.206 4.134 4.340 0.000 0.000 0.215 108 L C 2.805 179.692 176.870 0.028 0.000 1.080 108 L CA 3.114 57.914 54.840 -0.067 0.000 0.764 108 L CB -0.402 41.593 42.059 -0.107 0.000 0.890 108 L HN 1.243 nan 8.230 nan 0.000 0.435 109 S N -2.416 113.310 115.700 0.045 0.000 2.407 109 S HA -0.260 4.210 4.470 0.000 0.000 0.235 109 S C 1.977 176.617 174.600 0.068 0.000 1.036 109 S CA 1.591 59.817 58.200 0.044 0.000 1.013 109 S CB -0.923 62.303 63.200 0.044 0.000 0.820 109 S HN 0.534 nan 8.310 nan 0.000 0.476 110 S N 1.425 117.202 115.700 0.129 0.000 2.402 110 S HA 0.096 4.566 4.470 0.000 0.000 0.229 110 S C 1.346 176.010 174.600 0.107 0.000 1.021 110 S CA 1.141 59.404 58.200 0.104 0.000 0.974 110 S CB -0.528 62.729 63.200 0.095 0.000 0.800 110 S HN 0.583 nan 8.310 nan 0.000 0.484 111 F N 2.254 122.155 119.950 -0.080 0.000 2.206 111 F HA 0.015 4.542 4.527 0.000 0.000 0.298 111 F C 1.962 177.617 175.800 -0.242 0.000 1.090 111 F CA 0.613 58.541 58.000 -0.120 0.000 1.323 111 F CB -1.506 37.440 39.000 -0.089 0.000 1.028 111 F HN 0.080 nan 8.300 nan 0.000 0.492 112 T N 0.321 114.856 114.554 -0.032 0.000 3.738 112 T HA 0.174 4.524 4.350 0.000 0.000 0.231 112 T C 0.219 174.768 174.700 -0.251 0.000 0.967 112 T CA -0.372 61.611 62.100 -0.195 0.000 1.227 112 T CB -1.295 67.498 68.868 -0.125 0.000 1.136 112 T HN 0.135 nan 8.240 nan 0.000 0.807 113 T N 0.691 114.928 114.554 -0.528 0.000 2.928 113 T HA 0.525 4.875 4.350 0.000 0.000 0.284 113 T C 0.598 175.173 174.700 -0.209 0.000 1.008 113 T CA -1.001 60.850 62.100 -0.415 0.000 1.057 113 T CB 1.154 69.782 68.868 -0.400 0.000 1.018 113 T HN 0.650 nan 8.240 nan 0.000 0.493 114 T N -0.174 114.432 114.554 0.087 0.000 2.902 114 T HA 0.309 4.659 4.350 0.000 0.000 0.301 114 T C 0.085 175.019 174.700 0.389 0.000 1.012 114 T CA -0.495 61.722 62.100 0.196 0.000 1.151 114 T CB 0.290 69.248 68.868 0.150 0.000 0.946 114 T HN 0.718 nan 8.240 nan 0.000 0.542 115 T N 2.313 117.094 114.554 0.378 0.000 2.792 115 T HA 0.545 4.895 4.350 0.000 0.000 0.280 115 T C -0.846 173.987 174.700 0.222 0.000 0.990 115 T CA -0.613 61.684 62.100 0.328 0.000 0.960 115 T CB 1.150 70.247 68.868 0.381 0.000 0.939 115 T HN 0.770 nan 8.240 nan 0.000 0.439 116 S N 2.969 118.759 115.700 0.149 0.000 2.779 116 S HA 0.788 5.258 4.470 0.000 0.000 0.293 116 S C 0.079 174.724 174.600 0.076 0.000 1.150 116 S CA 0.354 58.614 58.200 0.101 0.000 1.057 116 S CB 0.380 63.627 63.200 0.078 0.000 1.021 116 S HN 1.271 nan 8.310 nan 0.000 0.485 117 G N 3.509 112.333 108.800 0.039 0.000 2.534 117 G HA2 0.162 4.122 3.960 0.000 0.000 0.142 117 G HA3 0.162 4.122 3.960 0.000 0.000 0.142 117 G C -1.965 172.856 174.900 -0.132 0.000 1.178 117 G CA -0.614 44.476 45.100 -0.016 0.000 1.037 117 G HN 0.512 nan 8.290 nan 0.000 0.474 118 Y N 0.340 120.731 120.300 0.151 0.000 2.308 118 Y HA 0.537 5.087 4.550 0.000 0.000 0.329 118 Y C 0.524 176.575 175.900 0.253 0.000 1.111 118 Y CA -0.400 57.787 58.100 0.145 0.000 1.179 118 Y CB 1.950 40.457 38.460 0.078 0.000 1.201 118 Y HN 0.260 nan 8.280 nan 0.000 0.483 119 V N 3.006 123.074 119.914 0.257 0.000 2.334 119 V HA 0.866 4.986 4.120 0.000 0.000 0.281 119 V C 0.207 176.436 176.094 0.225 0.000 1.016 119 V CA -0.502 61.960 62.300 0.271 0.000 0.832 119 V CB 0.712 32.647 31.823 0.186 0.000 0.999 119 V HN 0.938 nan 8.190 nan 0.000 0.439 120 G N 2.363 111.367 108.800 0.341 0.000 2.616 120 G HA2 0.573 4.533 3.960 0.000 0.000 0.294 120 G HA3 0.573 4.533 3.960 0.000 0.000 0.294 120 G C 0.340 175.473 174.900 0.389 0.000 1.489 120 G CA 0.125 45.365 45.100 0.234 0.000 0.836 120 G HN 0.771 nan 8.290 nan 0.000 0.527 121 A N 0.201 123.160 122.820 0.232 0.000 1.884 121 A HA 0.225 4.545 4.320 0.000 0.000 0.219 121 A C 1.783 179.537 177.584 0.283 0.000 1.197 121 A CA 2.731 54.904 52.037 0.228 0.000 0.637 121 A CB -0.986 18.095 19.000 0.134 0.000 0.827 121 A HN 2.016 nan 8.150 nan 0.000 0.450 122 T N -5.221 109.430 114.554 0.162 0.000 2.918 122 T HA 0.679 5.029 4.350 0.000 0.000 0.286 122 T C 1.005 175.577 174.700 -0.214 0.000 1.026 122 T CA -0.045 62.120 62.100 0.109 0.000 1.031 122 T CB 1.696 70.590 68.868 0.043 0.000 1.046 122 T HN 0.795 nan 8.240 nan 0.000 0.479 123 A N 2.463 125.050 122.820 -0.390 0.000 1.896 123 A HA 0.024 4.344 4.320 0.000 0.000 0.220 123 A C 2.432 179.723 177.584 -0.488 0.000 1.206 123 A CA 2.704 54.258 52.037 -0.806 0.000 0.647 123 A CB -1.969 16.800 19.000 -0.385 0.000 0.828 123 A HN 1.456 nan 8.150 nan 0.000 0.455 124 G N 0.906 109.557 108.800 -0.249 0.000 2.870 124 G HA2 -0.511 3.449 3.960 0.000 0.000 0.237 124 G HA3 -0.511 3.449 3.960 0.000 0.000 0.237 124 G C 1.052 175.853 174.900 -0.165 0.000 1.209 124 G CA 2.326 47.327 45.100 -0.164 0.000 0.769 124 G HN 0.805 nan 8.290 nan 0.000 0.704 125 D N 0.875 121.196 120.400 -0.131 0.000 2.149 125 D HA 0.153 4.793 4.640 0.000 0.000 0.198 125 D C 2.415 178.644 176.300 -0.119 0.000 0.990 125 D CA 1.933 55.876 54.000 -0.095 0.000 0.839 125 D CB -0.689 40.091 40.800 -0.034 0.000 0.948 125 D HN 0.497 nan 8.370 nan 0.000 0.460 126 A N 0.431 123.102 122.820 -0.249 0.000 2.015 126 A HA -0.015 4.305 4.320 0.000 0.000 0.219 126 A C 2.325 179.780 177.584 -0.216 0.000 1.163 126 A CA 0.998 52.856 52.037 -0.298 0.000 0.646 126 A CB -0.897 17.573 19.000 -0.882 0.000 0.806 126 A HN 0.332 nan 8.150 nan 0.000 0.448 127 L N -0.399 120.634 121.223 -0.316 0.000 2.081 127 L HA -0.267 4.073 4.340 0.000 0.000 0.212 127 L C 1.870 178.715 176.870 -0.043 0.000 1.080 127 L CA 1.851 56.537 54.840 -0.258 0.000 0.754 127 L CB -0.818 41.098 42.059 -0.239 0.000 0.893 127 L HN 0.289 nan 8.230 nan 0.000 0.433 128 D N -0.831 119.561 120.400 -0.014 0.000 2.224 128 D HA -0.084 4.556 4.640 0.000 0.000 0.205 128 D C 0.720 177.063 176.300 0.071 0.000 0.965 128 D CA 0.780 54.798 54.000 0.031 0.000 0.852 128 D CB -0.131 40.665 40.800 -0.007 0.000 0.947 128 D HN 0.221 nan 8.370 nan 0.000 0.494 129 N N 0.325 119.087 118.700 0.104 0.000 2.483 129 N HA 0.279 5.019 4.740 0.000 0.000 0.267 129 N C -2.875 172.647 175.510 0.020 0.000 0.998 129 N CA -1.816 51.267 53.050 0.055 0.000 0.918 129 N CB 1.858 40.366 38.487 0.035 0.000 1.215 129 N HN -0.219 nan 8.380 nan 0.000 0.500 130 P HA 0.292 nan 4.420 nan 0.000 0.307 130 P C -1.292 175.864 177.300 -0.240 0.000 1.412 130 P CA -0.659 62.168 63.100 -0.455 0.000 0.985 130 P CB 2.115 33.296 31.700 -0.866 0.000 1.098 131 V N 3.168 122.975 119.914 -0.178 0.000 2.305 131 V HA 0.228 4.348 4.120 0.000 0.000 0.275 131 V C 0.597 176.649 176.094 -0.070 0.000 1.020 131 V CA -0.360 61.872 62.300 -0.113 0.000 0.811 131 V CB 1.067 32.823 31.823 -0.111 0.000 1.031 131 V HN 0.644 nan 8.190 nan 0.000 0.439 132 T N 1.389 115.899 114.554 -0.074 0.000 2.851 132 T HA 0.266 4.616 4.350 0.000 0.000 0.298 132 T C 0.527 175.233 174.700 0.009 0.000 0.977 132 T CA -0.154 61.928 62.100 -0.030 0.000 1.126 132 T CB 0.076 68.920 68.868 -0.040 0.000 0.916 132 T HN 0.742 nan 8.240 nan 0.000 0.529 133 N N 1.536 120.267 118.700 0.052 0.000 2.667 133 N HA -0.143 4.597 4.740 0.000 0.000 0.263 133 N C 0.603 176.185 175.510 0.120 0.000 1.038 133 N CA 0.751 53.854 53.050 0.088 0.000 0.749 133 N CB -1.010 37.517 38.487 0.066 0.000 0.892 133 N HN 1.009 nan 8.380 nan 0.000 0.546 134 G N -0.351 108.570 108.800 0.202 0.000 2.882 134 G HA2 0.711 4.671 3.960 0.000 0.000 0.164 134 G HA3 0.711 4.671 3.960 0.000 0.000 0.164 134 G C -0.214 174.902 174.900 0.359 0.000 1.429 134 G CA 0.144 45.471 45.100 0.379 0.000 1.059 134 G HN 0.834 nan 8.290 nan 0.000 0.581 135 V N -2.228 117.936 119.914 0.415 0.000 2.932 135 V HA 0.779 4.899 4.120 0.000 0.000 0.307 135 V C -0.884 175.092 176.094 -0.196 0.000 1.147 135 V CA -1.147 61.168 62.300 0.025 0.000 0.951 135 V CB 1.136 32.899 31.823 -0.099 0.000 1.031 135 V HN 1.024 nan 8.190 nan 0.000 0.426 136 F N 3.151 123.045 119.950 -0.094 0.000 2.594 136 F HA 0.943 5.470 4.527 0.000 0.000 0.335 136 F C -0.873 174.917 175.800 -0.017 0.000 1.058 136 F CA -1.538 56.425 58.000 -0.062 0.000 0.981 136 F CB 1.843 40.878 39.000 0.058 0.000 1.289 136 F HN 0.694 nan 8.300 nan 0.000 0.490 137 I N 1.468 122.044 120.570 0.011 0.000 2.686 137 I HA 0.437 4.607 4.170 0.000 0.000 0.295 137 I C -0.951 175.310 176.117 0.239 0.000 1.114 137 I CA -0.568 60.727 61.300 -0.007 0.000 1.038 137 I CB 2.138 40.086 38.000 -0.087 0.000 1.238 137 I HN 0.880 nan 8.210 nan 0.000 0.420 138 S N 3.257 119.136 115.700 0.299 0.000 2.554 138 S HA 0.225 4.695 4.470 0.000 0.000 0.278 138 S C 1.336 175.818 174.600 -0.196 0.000 1.242 138 S CA 0.196 58.457 58.200 0.101 0.000 1.051 138 S CB 1.302 64.814 63.200 0.520 0.000 0.986 138 S HN 0.846 nan 8.310 nan 0.000 0.502 139 T N 3.064 117.294 114.554 -0.539 0.000 2.620 139 T HA -0.206 4.144 4.350 0.000 0.000 0.267 139 T C 1.793 176.474 174.700 -0.031 0.000 1.044 139 T CA 2.204 64.156 62.100 -0.246 0.000 1.161 139 T CB -1.320 67.483 68.868 -0.108 0.000 0.862 139 T HN 0.509 nan 8.240 nan 0.000 0.438 140 V N 2.279 122.232 119.914 0.065 0.000 2.231 140 V HA -0.299 3.821 4.120 0.000 0.000 0.248 140 V C 3.020 179.183 176.094 0.115 0.000 1.054 140 V CA 2.419 64.779 62.300 0.101 0.000 1.015 140 V CB -1.184 30.727 31.823 0.147 0.000 0.638 140 V HN 0.551 nan 8.190 nan 0.000 0.444 141 Q N -0.064 119.832 119.800 0.159 0.000 2.030 141 Q HA -0.204 4.136 4.340 0.000 0.000 0.204 141 Q C 2.301 178.483 176.000 0.304 0.000 0.986 141 Q CA 2.372 58.335 55.803 0.267 0.000 0.843 141 Q CB -0.484 28.444 28.738 0.317 0.000 0.904 141 Q HN 0.863 nan 8.270 nan 0.000 0.420 142 I N -1.898 118.745 120.570 0.121 0.000 2.264 142 I HA -0.291 3.879 4.170 0.000 0.000 0.248 142 I C 2.464 178.580 176.117 -0.001 0.000 1.111 142 I CA 1.022 62.326 61.300 0.006 0.000 1.382 142 I CB -0.560 37.413 38.000 -0.046 0.000 1.060 142 I HN 0.201 nan 8.210 nan 0.000 0.418 143 M N 2.397 122.011 119.600 0.023 0.000 2.110 143 M HA -0.292 4.188 4.480 0.000 0.000 0.257 143 M C 2.002 178.321 176.300 0.032 0.000 1.071 143 M CA 2.436 57.747 55.300 0.019 0.000 1.096 143 M CB -1.332 31.287 32.600 0.031 0.000 1.300 143 M HN 0.423 nan 8.290 nan 0.000 0.411 144 N N -0.141 118.613 118.700 0.090 0.000 2.188 144 N HA -0.143 4.597 4.740 0.000 0.000 0.184 144 N C 1.568 177.162 175.510 0.139 0.000 1.018 144 N CA 1.121 54.240 53.050 0.115 0.000 0.858 144 N CB -0.229 38.343 38.487 0.143 0.000 0.989 144 N HN 0.214 nan 8.380 nan 0.000 0.426 145 L N 1.553 122.874 121.223 0.164 0.000 1.971 145 L HA -0.265 4.075 4.340 0.000 0.000 0.215 145 L C 1.989 178.765 176.870 -0.156 0.000 1.072 145 L CA 1.812 56.598 54.840 -0.090 0.000 0.758 145 L CB -0.759 41.000 42.059 -0.501 0.000 0.889 145 L HN 0.221 nan 8.230 nan 0.000 0.433 146 Q N -0.755 118.948 119.800 -0.162 0.000 2.077 146 Q HA -0.306 4.034 4.340 0.000 0.000 0.206 146 Q C 2.359 178.293 176.000 -0.110 0.000 0.989 146 Q CA 2.158 57.859 55.803 -0.170 0.000 0.853 146 Q CB -0.538 28.108 28.738 -0.154 0.000 0.907 146 Q HN 0.514 nan 8.270 nan 0.000 0.418 147 R N 0.499 120.965 120.500 -0.057 0.000 2.112 147 R HA -0.211 4.129 4.340 0.000 0.000 0.242 147 R C 2.118 178.400 176.300 -0.031 0.000 1.137 147 R CA 2.298 58.379 56.100 -0.031 0.000 0.944 147 R CB -0.577 29.722 30.300 -0.002 0.000 0.857 147 R HN 0.395 nan 8.270 nan 0.000 0.435 148 T N 0.973 115.514 114.554 -0.021 0.000 2.652 148 T HA -0.163 4.187 4.350 0.000 0.000 0.267 148 T C 2.099 176.766 174.700 -0.054 0.000 1.039 148 T CA 1.760 63.849 62.100 -0.019 0.000 1.153 148 T CB -0.456 68.418 68.868 0.009 0.000 0.863 148 T HN 0.253 nan 8.240 nan 0.000 0.428 149 I N 1.873 122.383 120.570 -0.101 0.000 2.208 149 I HA -0.212 3.958 4.170 0.000 0.000 0.245 149 I C 3.103 179.159 176.117 -0.103 0.000 1.097 149 I CA 1.276 62.499 61.300 -0.128 0.000 1.363 149 I CB -0.610 37.268 38.000 -0.205 0.000 1.051 149 I HN 0.287 nan 8.210 nan 0.000 0.413 150 A N 0.652 123.415 122.820 -0.096 0.000 1.933 150 A HA -0.163 4.157 4.320 0.000 0.000 0.218 150 A C 2.531 180.078 177.584 -0.062 0.000 1.175 150 A CA 1.864 53.854 52.037 -0.078 0.000 0.628 150 A CB -0.746 18.211 19.000 -0.071 0.000 0.814 150 A HN 0.449 nan 8.150 nan 0.000 0.444 151 A N -0.352 122.440 122.820 -0.047 0.000 1.930 151 A HA -0.117 4.203 4.320 0.000 0.000 0.217 151 A C 2.230 179.800 177.584 -0.024 0.000 1.175 151 A CA 1.424 53.442 52.037 -0.032 0.000 0.627 151 A CB -0.425 18.569 19.000 -0.011 0.000 0.815 151 A HN 0.542 nan 8.150 nan 0.000 0.443 152 R N -1.069 119.431 120.500 0.001 0.000 2.083 152 R HA -0.117 4.223 4.340 0.000 0.000 0.237 152 R C 2.296 178.592 176.300 -0.007 0.000 1.137 152 R CA 1.741 57.887 56.100 0.076 0.000 0.951 152 R CB -0.382 29.901 30.300 -0.028 0.000 0.851 152 R HN 0.429 nan 8.270 nan 0.000 0.434 153 M N 0.570 120.127 119.600 -0.072 0.000 2.080 153 M HA -0.181 4.299 4.480 0.000 0.000 0.260 153 M C 2.073 178.271 176.300 -0.171 0.000 1.068 153 M CA 1.813 57.044 55.300 -0.115 0.000 1.109 153 M CB -0.845 31.711 32.600 -0.072 0.000 1.342 153 M HN 0.142 nan 8.290 nan 0.000 0.405 154 R N -0.202 120.219 120.500 -0.132 0.000 2.237 154 R HA -0.112 4.228 4.340 0.000 0.000 0.219 154 R C 1.546 177.717 176.300 -0.215 0.000 1.080 154 R CA 1.258 57.270 56.100 -0.146 0.000 0.995 154 R CB -0.523 29.725 30.300 -0.088 0.000 0.875 154 R HN 0.378 nan 8.270 nan 0.000 0.462 155 D N 0.441 120.667 120.400 -0.290 0.000 2.234 155 D HA -0.085 4.555 4.640 0.000 0.000 0.205 155 D C 1.540 177.207 176.300 -1.055 0.000 0.962 155 D CA 0.420 54.120 54.000 -0.501 0.000 0.855 155 D CB 0.312 40.838 40.800 -0.457 0.000 0.951 155 D HN 0.040 nan 8.370 nan 0.000 0.500 156 V N -0.298 118.974 119.914 -1.070 0.000 3.406 156 V HA 0.209 4.329 4.120 0.000 0.000 0.263 156 V C 2.048 177.714 176.094 -0.713 0.000 1.172 156 V CA 1.110 62.534 62.300 -1.460 0.000 1.140 156 V CB -0.244 30.759 31.823 -1.366 0.000 0.784 156 V HN 0.276 nan 8.190 nan 0.000 0.467 157 A N 0.025 122.610 122.820 -0.391 0.000 2.032 157 A HA -0.177 4.143 4.320 0.000 0.000 0.221 157 A C 2.055 179.648 177.584 0.014 0.000 1.165 157 A CA 2.092 54.050 52.037 -0.132 0.000 0.645 157 A CB -0.410 18.533 19.000 -0.094 0.000 0.807 157 A HN 0.580 nan 8.150 nan 0.000 0.453 158 L N -2.492 118.767 121.223 0.061 0.000 2.131 158 L HA -0.133 4.207 4.340 0.000 0.000 0.206 158 L C 2.568 179.778 176.870 0.566 0.000 1.087 158 L CA 0.654 55.683 54.840 0.315 0.000 0.767 158 L CB -0.493 41.778 42.059 0.354 0.000 0.917 158 L HN 0.560 nan 8.230 nan 0.000 0.441 159 W N 0.791 122.193 121.300 0.170 0.000 2.379 159 W HA -0.110 4.550 4.660 0.000 0.000 0.307 159 W C 2.677 179.452 176.519 0.427 0.000 1.200 159 W CA 0.229 57.743 57.345 0.281 0.000 1.297 159 W CB -1.247 28.142 29.460 -0.119 0.000 1.140 159 W HN 0.166 nan 8.180 nan 0.000 0.507 160 Q N 0.493 120.540 119.800 0.412 0.000 2.062 160 Q HA -0.246 4.094 4.340 0.000 0.000 0.209 160 Q C 2.303 178.524 176.000 0.369 0.000 0.996 160 Q CA 1.921 57.973 55.803 0.416 0.000 0.859 160 Q CB -0.581 28.315 28.738 0.265 0.000 0.920 160 Q HN 0.046 nan 8.270 nan 0.000 0.415 161 K N 0.448 121.015 120.400 0.277 0.000 2.020 161 K HA -0.221 4.099 4.320 0.000 0.000 0.212 161 K C 1.887 178.583 176.600 0.160 0.000 1.050 161 K CA 1.937 58.325 56.287 0.168 0.000 0.929 161 K CB -0.388 32.175 32.500 0.106 0.000 0.714 161 K HN 0.394 nan 8.250 nan 0.000 0.443 162 H N 0.132 119.326 119.070 0.206 0.000 2.319 162 H HA -0.159 4.397 4.556 0.000 0.000 0.299 162 H C 1.934 177.309 175.328 0.078 0.000 1.092 162 H CA 1.795 57.905 56.048 0.104 0.000 1.302 162 H CB -0.148 29.668 29.762 0.089 0.000 1.373 162 H HN 0.106 nan 8.280 nan 0.000 0.497 163 L N 0.920 122.407 121.223 0.440 0.000 2.013 163 L HA -0.235 4.105 4.340 0.000 0.000 0.212 163 L C 1.445 178.488 176.870 0.288 0.000 1.073 163 L CA 1.956 57.058 54.840 0.436 0.000 0.753 163 L CB -0.463 41.999 42.059 0.671 0.000 0.890 163 L HN 0.222 nan 8.230 nan 0.000 0.432 164 D N -0.763 119.792 120.400 0.257 0.000 2.133 164 D HA -0.220 4.420 4.640 0.000 0.000 0.195 164 D C 2.266 178.625 176.300 0.097 0.000 0.997 164 D CA 2.055 56.151 54.000 0.160 0.000 0.840 164 D CB -0.624 40.267 40.800 0.152 0.000 0.947 164 D HN 0.649 nan 8.370 nan 0.000 0.452 165 T N -1.035 113.569 114.554 0.084 0.000 2.708 165 T HA -0.062 4.288 4.350 0.000 0.000 0.266 165 T C 2.119 176.852 174.700 0.055 0.000 1.037 165 T CA 1.778 63.904 62.100 0.045 0.000 1.146 165 T CB -0.513 68.356 68.868 0.003 0.000 0.865 165 T HN 0.110 nan 8.240 nan 0.000 0.435 166 A N 2.788 125.649 122.820 0.069 0.000 1.873 166 A HA -0.071 4.249 4.320 0.000 0.000 0.218 166 A C 2.547 180.188 177.584 0.096 0.000 1.193 166 A CA 2.330 54.418 52.037 0.085 0.000 0.629 166 A CB -0.871 18.184 19.000 0.092 0.000 0.826 166 A HN 0.503 nan 8.150 nan 0.000 0.447 167 M N 0.321 119.963 119.600 0.070 0.000 2.358 167 M HA -0.091 4.389 4.480 0.000 0.000 0.264 167 M C 2.016 178.325 176.300 0.016 0.000 1.064 167 M CA 1.983 57.284 55.300 0.001 0.000 1.093 167 M CB -1.758 30.779 32.600 -0.105 0.000 1.401 167 M HN 0.757 nan 8.290 nan 0.000 0.440 168 T N -3.317 111.264 114.554 0.045 0.000 3.034 168 T HA 0.066 4.416 4.350 0.000 0.000 0.248 168 T C 1.718 176.465 174.700 0.078 0.000 1.040 168 T CA -0.004 62.129 62.100 0.055 0.000 1.107 168 T CB -0.190 68.702 68.868 0.040 0.000 0.932 168 T HN 0.144 nan 8.240 nan 0.000 0.474 169 M N 1.372 121.017 119.600 0.075 0.000 2.337 169 M HA 0.163 4.643 4.480 0.000 0.000 0.261 169 M C -0.046 176.317 176.300 0.106 0.000 1.067 169 M CA 1.222 56.569 55.300 0.078 0.000 1.074 169 M CB -0.926 31.708 32.600 0.056 0.000 1.395 169 M HN 0.346 nan 8.290 nan 0.000 0.431 170 L N 0.694 122.002 121.223 0.142 0.000 2.448 170 L HA 0.147 4.487 4.340 0.000 0.000 0.257 170 L C 0.078 177.096 176.870 0.247 0.000 1.504 170 L CA -0.489 54.482 54.840 0.219 0.000 0.852 170 L CB 0.825 42.955 42.059 0.118 0.000 1.051 170 L HN -0.156 nan 8.230 nan 0.000 0.518 171 T N 3.897 118.585 114.554 0.223 0.000 2.576 171 T HA 0.015 4.365 4.350 0.000 0.000 0.251 171 T C -1.308 173.473 174.700 0.134 0.000 1.050 171 T CA -0.299 61.890 62.100 0.148 0.000 1.286 171 T CB 0.274 69.198 68.868 0.093 0.000 1.028 171 T HN 0.277 nan 8.240 nan 0.000 0.509 172 P HA 0.171 nan 4.420 nan 0.000 0.286 172 P C -0.763 176.396 177.300 -0.235 0.000 1.577 172 P CA -0.059 62.903 63.100 -0.231 0.000 0.805 172 P CB -0.212 31.262 31.700 -0.376 0.000 1.706 173 D N 0.693 121.043 120.400 -0.083 0.000 2.464 173 D HA 0.270 4.910 4.640 0.000 0.000 0.243 173 D C -0.201 176.083 176.300 -0.026 0.000 1.104 173 D CA -0.158 53.799 54.000 -0.072 0.000 0.883 173 D CB 0.757 41.532 40.800 -0.042 0.000 1.050 173 D HN -0.012 nan 8.370 nan 0.000 0.524 174 I N 2.686 123.221 120.570 -0.059 0.000 2.428 174 I HA 0.056 4.226 4.170 0.000 0.000 0.279 174 I C 1.454 177.554 176.117 -0.029 0.000 1.040 174 I CA -0.261 61.027 61.300 -0.020 0.000 1.171 174 I CB 1.003 38.998 38.000 -0.008 0.000 1.312 174 I HN 0.296 nan 8.210 nan 0.000 0.470 175 S N 3.959 119.652 115.700 -0.012 0.000 2.469 175 S HA 0.073 4.543 4.470 0.000 0.000 0.238 175 S C 0.888 175.486 174.600 -0.004 0.000 0.998 175 S CA 0.413 58.609 58.200 -0.007 0.000 0.957 175 S CB 0.103 63.302 63.200 -0.001 0.000 0.764 175 S HN 0.674 nan 8.310 nan 0.000 0.514 176 A N -0.103 122.715 122.820 -0.004 0.000 2.530 176 A HA 0.702 5.022 4.320 0.000 0.000 0.279 176 A C 0.714 178.297 177.584 -0.001 0.000 1.109 176 A CA -0.206 51.830 52.037 -0.002 0.000 0.763 176 A CB 0.362 19.362 19.000 0.001 0.000 1.257 176 A HN 1.372 nan 8.150 nan 0.000 0.424 177 G N 1.517 110.313 108.800 -0.006 0.000 2.650 177 G HA2 0.225 4.185 3.960 0.000 0.000 0.264 177 G HA3 0.225 4.185 3.960 0.000 0.000 0.264 177 G C 0.226 175.116 174.900 -0.017 0.000 1.263 177 G CA 0.353 45.449 45.100 -0.007 0.000 0.960 177 G HN 2.657 nan 8.290 nan 0.000 0.548 178 S N -0.885 114.811 115.700 -0.007 0.000 2.563 178 S HA 0.876 5.346 4.470 0.000 0.000 0.279 178 S C -0.564 174.048 174.600 0.020 0.000 1.155 178 S CA 0.639 58.829 58.200 -0.016 0.000 0.928 178 S CB 1.397 64.586 63.200 -0.018 0.000 1.107 178 S HN 2.470 nan 8.310 nan 0.000 0.462 179 A N 1.389 124.215 122.820 0.010 0.000 2.380 179 A HA 0.970 5.290 4.320 0.000 0.000 0.315 179 A C -0.305 177.293 177.584 0.024 0.000 1.101 179 A CA -0.867 51.231 52.037 0.101 0.000 0.771 179 A CB 1.996 21.175 19.000 0.299 0.000 1.287 179 A HN 1.201 nan 8.150 nan 0.000 0.436 180 S N -0.758 115.023 115.700 0.135 0.000 2.546 180 S HA 0.659 5.129 4.470 0.000 0.000 0.272 180 S C -1.372 173.349 174.600 0.201 0.000 1.140 180 S CA -0.273 58.007 58.200 0.132 0.000 0.920 180 S CB 1.267 64.505 63.200 0.064 0.000 1.083 180 S HN 1.800 nan 8.310 nan 0.000 0.476 181 C N 3.930 123.345 119.300 0.193 0.000 3.285 181 C HA 0.583 5.043 4.460 0.000 0.000 0.325 181 C C -0.847 174.092 174.990 -0.085 0.000 1.304 181 C CA -0.844 58.171 59.018 -0.005 0.000 1.319 181 C CB 1.221 28.828 27.740 -0.223 0.000 1.640 181 C HN 0.977 nan 8.230 nan 0.000 0.477 182 N N 2.304 120.958 118.700 -0.077 0.000 2.394 182 N HA -0.036 4.704 4.740 0.000 0.000 0.277 182 N C 0.834 176.325 175.510 -0.033 0.000 1.346 182 N CA 0.379 53.407 53.050 -0.037 0.000 0.910 182 N CB 0.118 38.575 38.487 -0.051 0.000 1.201 182 N HN 0.890 nan 8.380 nan 0.000 0.488 183 W N 3.753 124.959 121.300 -0.156 0.000 2.363 183 W HA -0.213 4.447 4.660 0.000 0.000 0.296 183 W C 1.626 178.062 176.519 -0.139 0.000 1.212 183 W CA 0.250 57.513 57.345 -0.136 0.000 1.260 183 W CB 0.250 29.744 29.460 0.058 0.000 1.131 183 W HN 0.591 nan 8.180 nan 0.000 0.530 184 K N -0.013 120.413 120.400 0.043 0.000 2.020 184 K HA -0.221 4.099 4.320 0.000 0.000 0.212 184 K C 1.996 178.456 176.600 -0.233 0.000 1.050 184 K CA 2.073 58.280 56.287 -0.134 0.000 0.929 184 K CB -0.857 31.570 32.500 -0.123 0.000 0.714 184 K HN -0.015 nan 8.250 nan 0.000 0.443 185 S N 1.628 117.191 115.700 -0.228 0.000 2.368 185 S HA -0.185 4.285 4.470 0.000 0.000 0.226 185 S C 2.068 176.534 174.600 -0.222 0.000 1.044 185 S CA 1.494 59.516 58.200 -0.297 0.000 1.062 185 S CB -0.452 62.620 63.200 -0.213 0.000 0.931 185 S HN 0.160 nan 8.310 nan 0.000 0.440 186 L N 1.092 122.229 121.223 -0.144 0.000 1.970 186 L HA -0.143 4.197 4.340 0.000 0.000 0.212 186 L C 2.366 179.229 176.870 -0.011 0.000 1.071 186 L CA 1.271 56.060 54.840 -0.085 0.000 0.751 186 L CB -0.797 41.139 42.059 -0.204 0.000 0.889 186 L HN 0.262 nan 8.230 nan 0.000 0.432 187 L N -0.383 120.803 121.223 -0.062 0.000 2.051 187 L HA -0.281 4.059 4.340 0.000 0.000 0.214 187 L C 2.791 179.600 176.870 -0.102 0.000 1.076 187 L CA 1.471 56.204 54.840 -0.178 0.000 0.758 187 L CB -0.900 40.918 42.059 -0.401 0.000 0.890 187 L HN 0.320 nan 8.230 nan 0.000 0.433 188 A N -0.946 121.782 122.820 -0.154 0.000 1.929 188 A HA -0.148 4.172 4.320 0.000 0.000 0.216 188 A C 2.234 179.931 177.584 0.188 0.000 1.176 188 A CA 0.949 52.951 52.037 -0.059 0.000 0.628 188 A CB -0.721 18.147 19.000 -0.220 0.000 0.816 188 A HN 0.370 nan 8.150 nan 0.000 0.444 189 F N 0.319 120.160 119.950 -0.182 0.000 2.186 189 F HA -0.129 4.398 4.527 0.000 0.000 0.299 189 F C 2.735 178.604 175.800 0.115 0.000 1.090 189 F CA 0.450 58.523 58.000 0.121 0.000 1.307 189 F CB 0.025 39.035 39.000 0.017 0.000 1.019 189 F HN 0.337 nan 8.300 nan 0.000 0.489 190 A N 0.506 123.442 122.820 0.194 0.000 1.884 190 A HA -0.304 4.016 4.320 0.000 0.000 0.219 190 A C 2.010 179.667 177.584 0.122 0.000 1.197 190 A CA 2.220 54.321 52.037 0.105 0.000 0.637 190 A CB -0.729 18.308 19.000 0.061 0.000 0.827 190 A HN 0.379 nan 8.150 nan 0.000 0.450 191 K N -1.183 119.294 120.400 0.127 0.000 2.432 191 K HA -0.064 4.256 4.320 0.000 0.000 0.196 191 K C 1.228 177.909 176.600 0.134 0.000 1.038 191 K CA 1.016 57.364 56.287 0.102 0.000 0.986 191 K CB -0.040 32.500 32.500 0.067 0.000 0.782 191 K HN 0.558 nan 8.250 nan 0.000 0.485 192 D N 0.175 120.715 120.400 0.233 0.000 2.305 192 D HA -0.025 4.615 4.640 0.000 0.000 0.206 192 D C 1.351 177.766 176.300 0.192 0.000 0.974 192 D CA 0.645 54.771 54.000 0.211 0.000 0.871 192 D CB 0.431 41.402 40.800 0.284 0.000 0.947 192 D HN -0.040 nan 8.370 nan 0.000 0.516 193 I N 0.146 120.848 120.570 0.220 0.000 3.445 193 I HA 0.146 4.316 4.170 0.000 0.000 0.288 193 I C 0.883 177.052 176.117 0.087 0.000 1.198 193 I CA 0.078 61.472 61.300 0.156 0.000 1.417 193 I CB -0.875 37.208 38.000 0.138 0.000 1.205 193 I HN -0.015 nan 8.210 nan 0.000 0.448 194 L N 3.144 124.410 121.223 0.070 0.000 2.514 194 L HA 0.060 4.400 4.340 0.000 0.000 0.280 194 L C -1.932 174.956 176.870 0.030 0.000 1.223 194 L CA -1.174 53.691 54.840 0.042 0.000 0.864 194 L CB -0.270 41.807 42.059 0.031 0.000 1.118 194 L HN -0.092 nan 8.230 nan 0.000 0.494 195 P HA 0.054 nan 4.420 nan 0.000 0.271 195 P C 0.673 177.981 177.300 0.013 0.000 1.226 195 P CA -0.116 62.996 63.100 0.021 0.000 0.765 195 P CB 0.675 32.389 31.700 0.024 0.000 0.835 196 L N 2.363 123.590 121.223 0.005 0.000 2.051 196 L HA -0.255 4.085 4.340 0.000 0.000 0.214 196 L C 1.653 178.516 176.870 -0.012 0.000 1.076 196 L CA 1.754 56.589 54.840 -0.009 0.000 0.758 196 L CB -0.619 41.434 42.059 -0.010 0.000 0.890 196 L HN 0.462 nan 8.230 nan 0.000 0.433 197 D N -0.407 120.000 120.400 0.011 0.000 2.351 197 D HA -0.094 4.546 4.640 0.000 0.000 0.216 197 D C 0.462 176.804 176.300 0.070 0.000 0.968 197 D CA 0.478 54.496 54.000 0.031 0.000 0.899 197 D CB -0.539 40.287 40.800 0.043 0.000 0.907 197 D HN 0.425 nan 8.370 nan 0.000 0.514 198 N N 0.685 119.431 118.700 0.076 0.000 2.407 198 N HA -0.002 4.738 4.740 0.000 0.000 0.250 198 N C 1.376 176.816 175.510 -0.116 0.000 1.236 198 N CA -0.038 53.087 53.050 0.125 0.000 0.879 198 N CB 0.793 39.339 38.487 0.100 0.000 1.088 198 N HN 0.013 nan 8.380 nan 0.000 0.450 199 L N 0.481 121.443 121.223 -0.436 0.000 2.191 199 L HA -0.214 4.126 4.340 0.000 0.000 0.212 199 L C 1.738 178.410 176.870 -0.329 0.000 1.103 199 L CA 0.726 55.293 54.840 -0.455 0.000 0.769 199 L CB -0.347 41.400 42.059 -0.519 0.000 0.908 199 L HN 0.710 nan 8.230 nan 0.000 0.438 200 C N -0.274 118.706 119.300 -0.533 0.000 2.413 200 C HA -0.147 4.313 4.460 0.000 0.000 0.277 200 C C 2.564 177.422 174.990 -0.220 0.000 1.265 200 C CA 0.344 59.046 59.018 -0.527 0.000 1.752 200 C CB -0.777 26.677 27.740 -0.477 0.000 1.998 200 C HN 0.414 nan 8.230 nan 0.000 0.489 201 L N 1.261 122.365 121.223 -0.198 0.000 2.313 201 L HA -0.040 4.300 4.340 0.000 0.000 0.214 201 L C 2.722 179.452 176.870 -0.233 0.000 1.119 201 L CA 1.961 56.704 54.840 -0.162 0.000 0.809 201 L CB -1.066 40.926 42.059 -0.112 0.000 0.933 201 L HN 0.495 nan 8.230 nan 0.000 0.449 202 T N -3.771 110.528 114.554 -0.426 0.000 2.851 202 T HA -0.158 4.192 4.350 0.000 0.000 0.262 202 T C 1.107 175.347 174.700 -0.767 0.000 1.043 202 T CA 0.982 62.637 62.100 -0.741 0.000 1.140 202 T CB -0.515 67.598 68.868 -1.258 0.000 0.872 202 T HN 0.278 nan 8.240 nan 0.000 0.446 203 Y N 1.807 122.164 120.300 0.095 0.000 2.833 203 Y HA 0.345 4.895 4.550 0.000 0.000 0.339 203 Y C -1.704 174.351 175.900 0.258 0.000 1.032 203 Y CA -2.737 55.458 58.100 0.158 0.000 1.450 203 Y CB 0.381 38.911 38.460 0.116 0.000 1.296 203 Y HN 0.235 nan 8.280 nan 0.000 0.535 204 P HA -0.228 nan 4.420 nan 0.000 0.215 204 P C 1.043 178.448 177.300 0.175 0.000 1.163 204 P CA 1.716 64.891 63.100 0.126 0.000 0.894 204 P CB 0.354 32.050 31.700 -0.007 0.000 0.791 205 N N -1.110 117.640 118.700 0.084 0.000 2.036 205 N HA -0.193 4.547 4.740 0.000 0.000 0.195 205 N C 1.749 177.297 175.510 0.062 0.000 1.037 205 N CA 1.394 54.454 53.050 0.017 0.000 0.855 205 N CB -0.336 38.118 38.487 -0.055 0.000 1.033 205 N HN 0.077 nan 8.380 nan 0.000 0.423 206 E N -0.030 120.222 120.200 0.086 0.000 2.038 206 E HA -0.174 4.176 4.350 0.000 0.000 0.195 206 E C 2.016 178.714 176.600 0.163 0.000 1.000 206 E CA 1.019 57.447 56.400 0.047 0.000 0.803 206 E CB -0.545 29.093 29.700 -0.104 0.000 0.750 206 E HN 0.460 nan 8.360 nan 0.000 0.448 207 F N -0.036 120.035 119.950 0.203 0.000 2.126 207 F HA -0.258 4.269 4.527 0.000 0.000 0.299 207 F C 2.502 178.476 175.800 0.291 0.000 1.096 207 F CA 1.314 59.474 58.000 0.267 0.000 1.255 207 F CB -0.425 38.719 39.000 0.240 0.000 0.997 207 F HN 0.080 nan 8.300 nan 0.000 0.479 208 Y N 0.871 121.368 120.300 0.328 0.000 2.145 208 Y HA -0.329 4.221 4.550 0.000 0.000 0.286 208 Y C 2.371 178.402 175.900 0.218 0.000 1.145 208 Y CA 2.032 60.281 58.100 0.249 0.000 1.148 208 Y CB -0.692 37.867 38.460 0.165 0.000 0.981 208 Y HN 0.031 nan 8.280 nan 0.000 0.507 209 N N -0.320 118.559 118.700 0.299 0.000 2.036 209 N HA -0.231 4.509 4.740 0.000 0.000 0.195 209 N C 1.686 177.073 175.510 -0.205 0.000 1.037 209 N CA 2.364 55.430 53.050 0.026 0.000 0.855 209 N CB -0.521 37.922 38.487 -0.073 0.000 1.033 209 N HN 0.234 nan 8.380 nan 0.000 0.423 210 V N 0.775 120.700 119.914 0.018 0.000 2.233 210 V HA -0.265 3.855 4.120 0.000 0.000 0.247 210 V C 2.425 178.514 176.094 -0.009 0.000 1.050 210 V CA 2.043 64.360 62.300 0.030 0.000 1.010 210 V CB -1.451 30.391 31.823 0.032 0.000 0.637 210 V HN 0.502 nan 8.190 nan 0.000 0.444 211 A N 0.147 123.056 122.820 0.149 0.000 1.896 211 A HA -0.298 4.022 4.320 0.000 0.000 0.220 211 A C 2.124 179.747 177.584 0.065 0.000 1.206 211 A CA 2.664 54.847 52.037 0.244 0.000 0.647 211 A CB -0.799 18.451 19.000 0.417 0.000 0.828 211 A HN 0.481 nan 8.150 nan 0.000 0.455 212 I N -0.757 119.777 120.570 -0.061 0.000 2.264 212 I HA -0.234 3.936 4.170 0.000 0.000 0.248 212 I C 2.212 178.305 176.117 -0.041 0.000 1.111 212 I CA 1.464 62.706 61.300 -0.095 0.000 1.382 212 I CB -0.469 37.440 38.000 -0.151 0.000 1.060 212 I HN 0.393 nan 8.210 nan 0.000 0.418 213 H N -0.669 118.351 119.070 -0.084 0.000 2.495 213 H HA 0.038 4.594 4.556 0.000 0.000 0.287 213 H C 2.298 177.483 175.328 -0.238 0.000 1.033 213 H CA 0.955 56.931 56.048 -0.121 0.000 1.307 213 H CB -0.050 29.643 29.762 -0.115 0.000 1.401 213 H HN 0.312 nan 8.280 nan 0.000 0.555 214 R N -0.322 119.987 120.500 -0.319 0.000 2.146 214 R HA 0.026 4.366 4.340 0.000 0.000 0.206 214 R C -0.144 175.762 176.300 -0.657 0.000 1.049 214 R CA 0.240 55.966 56.100 -0.623 0.000 1.029 214 R CB 0.487 30.239 30.300 -0.913 0.000 0.949 214 R HN 0.130 nan 8.270 nan 0.000 0.471 215 Y N 0.361 120.627 120.300 -0.056 0.000 2.717 215 Y HA 0.326 4.876 4.550 0.000 0.000 0.329 215 Y C -1.906 173.875 175.900 -0.199 0.000 1.017 215 Y CA -2.753 55.277 58.100 -0.117 0.000 1.275 215 Y CB 1.382 39.779 38.460 -0.106 0.000 1.109 215 Y HN 0.075 nan 8.280 nan 0.000 0.511 216 P HA -0.245 nan 4.420 nan 0.000 0.219 216 P C 1.466 178.405 177.300 -0.603 0.000 1.146 216 P CA 1.683 64.385 63.100 -0.662 0.000 0.808 216 P CB 0.312 31.612 31.700 -0.666 0.000 0.779 217 A N -1.374 121.260 122.820 -0.311 0.000 2.194 217 A HA -0.089 4.231 4.320 0.000 0.000 0.220 217 A C 0.876 178.276 177.584 -0.307 0.000 1.162 217 A CA 1.128 52.997 52.037 -0.280 0.000 0.674 217 A CB -1.014 17.834 19.000 -0.253 0.000 0.789 217 A HN 0.186 nan 8.150 nan 0.000 0.470 218 L N -1.115 119.978 121.223 -0.217 0.000 2.386 218 L HA 0.567 4.907 4.340 0.000 0.000 0.271 218 L C -0.630 176.234 176.870 -0.009 0.000 0.993 218 L CA -0.950 53.803 54.840 -0.144 0.000 0.819 218 L CB 2.135 44.171 42.059 -0.039 0.000 1.294 218 L HN -0.114 nan 8.230 nan 0.000 0.414 219 K N 3.052 123.523 120.400 0.119 0.000 2.259 219 K HA 0.531 4.851 4.320 0.000 0.000 0.249 219 K C -2.529 174.155 176.600 0.140 0.000 0.942 219 K CA -1.909 54.450 56.287 0.119 0.000 0.816 219 K CB 1.745 34.312 32.500 0.112 0.000 1.155 219 K HN 0.180 nan 8.250 nan 0.000 0.428 220 P HA -0.046 nan 4.420 nan 0.000 0.265 220 P C 0.558 177.823 177.300 -0.059 0.000 1.193 220 P CA 0.248 63.195 63.100 -0.256 0.000 0.765 220 P CB 0.751 31.776 31.700 -1.125 0.000 0.823 221 G N 4.240 113.085 108.800 0.076 0.000 4.072 221 G HA2 -0.333 3.627 3.960 0.000 0.000 0.248 221 G HA3 -0.333 3.627 3.960 0.000 0.000 0.248 221 G C 0.811 175.708 174.900 -0.005 0.000 0.856 221 G CA 1.535 46.639 45.100 0.006 0.000 0.713 221 G HN 0.781 nan 8.290 nan 0.000 1.477 222 N N 1.240 119.943 118.700 0.006 0.000 2.291 222 N HA 0.155 4.895 4.740 0.000 0.000 0.244 222 N C -1.093 174.432 175.510 0.025 0.000 1.216 222 N CA 0.008 53.066 53.050 0.012 0.000 0.879 222 N CB 0.642 39.138 38.487 0.014 0.000 1.167 222 N HN 0.316 nan 8.380 nan 0.000 0.515 223 P HA -0.098 nan 4.420 nan 0.000 0.216 223 P C -0.538 176.794 177.300 0.053 0.000 1.157 223 P CA 1.484 64.627 63.100 0.072 0.000 0.880 223 P CB 0.165 31.903 31.700 0.063 0.000 0.791 224 D N -1.083 119.331 120.400 0.023 0.000 2.420 224 D HA 0.128 4.768 4.640 0.000 0.000 0.255 224 D C 0.633 176.940 176.300 0.010 0.000 1.185 224 D CA -0.207 53.804 54.000 0.018 0.000 0.904 224 D CB 1.193 42.002 40.800 0.016 0.000 1.102 224 D HN -0.109 nan 8.370 nan 0.000 0.534 225 T N 1.283 115.844 114.554 0.012 0.000 2.869 225 T HA -0.200 4.150 4.350 0.000 0.000 0.270 225 T C 1.810 176.515 174.700 0.009 0.000 1.082 225 T CA 1.245 63.351 62.100 0.010 0.000 1.123 225 T CB 0.220 69.094 68.868 0.010 0.000 0.856 225 T HN 0.369 nan 8.240 nan 0.000 0.499 226 K N 0.501 120.906 120.400 0.008 0.000 2.032 226 K HA -0.096 4.224 4.320 0.000 0.000 0.218 226 K C 0.532 177.135 176.600 0.005 0.000 1.054 226 K CA 1.112 57.403 56.287 0.007 0.000 0.941 226 K CB -0.169 32.335 32.500 0.006 0.000 0.720 226 K HN 0.307 nan 8.250 nan 0.000 0.449 227 L N 0.525 121.751 121.223 0.004 0.000 2.490 227 L HA 0.226 4.566 4.340 0.000 0.000 0.256 227 L C -2.106 174.761 176.870 -0.005 0.000 1.089 227 L CA -1.198 53.642 54.840 -0.000 0.000 0.916 227 L CB 1.958 44.015 42.059 -0.004 0.000 1.188 227 L HN 0.046 nan 8.230 nan 0.000 0.476 228 P HA 0.067 nan 4.420 nan 0.000 0.228 228 P C -0.222 177.074 177.300 -0.005 0.000 1.166 228 P CA 0.484 63.575 63.100 -0.014 0.000 0.812 228 P CB 0.767 32.470 31.700 0.004 0.000 0.857 229 D N 0.334 120.741 120.400 0.012 0.000 2.181 229 D HA 0.527 5.167 4.640 0.000 0.000 0.248 229 D C -0.264 176.039 176.300 0.004 0.000 1.020 229 D CA -0.170 53.847 54.000 0.029 0.000 0.891 229 D CB 2.505 43.325 40.800 0.034 0.000 1.187 229 D HN 0.026 nan 8.370 nan 0.000 0.443 230 A N 0.994 123.819 122.820 0.007 0.000 2.594 230 A HA 0.329 4.649 4.320 0.000 0.000 0.291 230 A C 0.061 177.561 177.584 -0.139 0.000 1.105 230 A CA -0.462 51.519 52.037 -0.094 0.000 0.694 230 A CB 2.192 21.073 19.000 -0.199 0.000 1.291 230 A HN 0.348 nan 8.150 nan 0.000 0.410 231 Q N -0.421 119.258 119.800 -0.202 0.000 2.392 231 Q HA 0.273 4.613 4.340 0.000 0.000 0.219 231 Q C 0.605 176.421 176.000 -0.307 0.000 0.895 231 Q CA 0.973 56.685 55.803 -0.152 0.000 0.929 231 Q CB 0.799 29.510 28.738 -0.045 0.000 1.077 231 Q HN 0.859 nan 8.270 nan 0.000 0.532 232 A N 1.481 124.050 122.820 -0.417 0.000 2.260 232 A HA 0.499 4.819 4.320 0.000 0.000 0.308 232 A C -0.367 176.857 177.584 -0.600 0.000 1.254 232 A CA -0.369 51.444 52.037 -0.374 0.000 0.874 232 A CB 0.287 19.176 19.000 -0.186 0.000 1.153 232 A HN 0.154 nan 8.150 nan 0.000 0.527 233 H N 1.733 120.789 119.070 -0.023 0.000 3.878 233 H HA 0.475 5.031 4.556 0.000 0.000 0.332 233 H C -1.943 173.365 175.328 -0.033 0.000 1.613 233 H CA -1.295 54.742 56.048 -0.017 0.000 1.413 233 H CB -0.442 29.307 29.762 -0.022 0.000 1.066 233 H HN 0.427 nan 8.280 nan 0.000 0.797 234 P HA 0.049 nan 4.420 nan 0.000 0.342 234 P C 1.120 178.419 177.300 -0.002 0.000 1.384 234 P CA -0.427 62.668 63.100 -0.008 0.000 0.837 234 P CB 0.627 32.293 31.700 -0.057 0.000 2.025 235 L N -0.278 120.932 121.223 -0.021 0.000 2.044 235 L HA 0.028 4.368 4.340 0.000 0.000 0.205 235 L C 2.153 179.030 176.870 0.013 0.000 1.075 235 L CA 2.427 57.267 54.840 0.000 0.000 0.747 235 L CB -1.766 40.301 42.059 0.013 0.000 0.903 235 L HN 0.471 nan 8.230 nan 0.000 0.435 236 G N -0.568 108.233 108.800 0.003 0.000 3.376 236 G HA2 -0.535 3.425 3.960 0.000 0.000 0.310 236 G HA3 -0.535 3.425 3.960 0.000 0.000 0.310 236 G C 1.218 176.126 174.900 0.013 0.000 1.137 236 G CA 1.573 46.673 45.100 0.001 0.000 1.061 236 G HN 0.480 nan 8.290 nan 0.000 1.152 237 E N -0.717 119.488 120.200 0.008 0.000 2.689 237 E HA -0.348 4.002 4.350 0.000 0.000 0.247 237 E C 2.294 178.878 176.600 -0.026 0.000 1.031 237 E CA 2.369 58.769 56.400 -0.001 0.000 1.400 237 E CB -1.265 28.444 29.700 0.016 0.000 1.296 237 E HN 0.520 nan 8.360 nan 0.000 0.475 238 V N 0.437 120.340 119.914 -0.017 0.000 2.215 238 V HA -0.368 3.752 4.120 0.000 0.000 0.249 238 V C 2.123 178.237 176.094 0.033 0.000 1.054 238 V CA 3.091 65.371 62.300 -0.032 0.000 1.012 238 V CB -0.919 30.925 31.823 0.035 0.000 0.639 238 V HN 0.510 nan 8.190 nan 0.000 0.448 239 A N -0.428 122.476 122.820 0.141 0.000 1.986 239 A HA -0.132 4.188 4.320 0.000 0.000 0.220 239 A C 2.298 179.992 177.584 0.183 0.000 1.171 239 A CA 2.236 54.407 52.037 0.223 0.000 0.640 239 A CB -1.409 17.677 19.000 0.143 0.000 0.811 239 A HN 0.828 nan 8.150 nan 0.000 0.451 240 G N -0.767 108.079 108.800 0.077 0.000 2.402 240 G HA2 0.063 4.023 3.960 0.000 0.000 0.216 240 G HA3 0.063 4.023 3.960 0.000 0.000 0.216 240 G C 1.738 176.653 174.900 0.025 0.000 1.162 240 G CA 1.189 46.316 45.100 0.044 0.000 0.777 240 G HN 0.819 nan 8.290 nan 0.000 0.539 241 A N 0.598 123.382 122.820 -0.059 0.000 1.948 241 A HA 0.021 4.341 4.320 0.000 0.000 0.220 241 A C 2.091 179.639 177.584 -0.059 0.000 1.177 241 A CA 1.502 53.453 52.037 -0.143 0.000 0.636 241 A CB -0.575 18.235 19.000 -0.317 0.000 0.815 241 A HN 0.310 nan 8.150 nan 0.000 0.449 242 F N 0.563 120.514 119.950 0.002 0.000 2.293 242 F HA -0.065 4.462 4.527 0.000 0.000 0.300 242 F C 2.089 177.890 175.800 0.003 0.000 1.086 242 F CA 1.028 59.029 58.000 0.003 0.000 1.375 242 F CB -0.387 38.616 39.000 0.004 0.000 1.045 242 F HN 0.287 nan 8.300 nan 0.000 0.516 243 N N 0.234 119.050 118.700 0.193 0.000 2.467 243 N HA 0.107 4.847 4.740 0.000 0.000 0.184 243 N C 0.600 176.149 175.510 0.065 0.000 1.106 243 N CA 0.417 53.529 53.050 0.102 0.000 0.892 243 N CB 0.113 38.647 38.487 0.078 0.000 0.969 243 N HN 0.093 nan 8.380 nan 0.000 0.454 244 A N 1.161 124.015 122.820 0.056 0.000 2.320 244 A HA 0.576 4.896 4.320 0.000 0.000 0.287 244 A C 0.373 177.973 177.584 0.027 0.000 1.181 244 A CA -0.544 51.509 52.037 0.026 0.000 0.831 244 A CB 0.345 19.346 19.000 0.002 0.000 1.102 244 A HN 0.214 nan 8.150 nan 0.000 0.513 245 A N 3.211 126.042 122.820 0.019 0.000 2.567 245 A HA 0.470 4.790 4.320 0.000 0.000 0.240 245 A C 1.014 178.606 177.584 0.013 0.000 1.053 245 A CA 0.840 52.888 52.037 0.017 0.000 0.755 245 A CB -0.522 18.484 19.000 0.011 0.000 0.978 245 A HN 1.540 nan 8.150 nan 0.000 0.507 246 T N -0.576 113.988 114.554 0.017 0.000 2.937 246 T HA 0.477 4.827 4.350 0.000 0.000 0.283 246 T C 1.356 176.062 174.700 0.011 0.000 1.012 246 T CA 0.003 62.111 62.100 0.014 0.000 0.997 246 T CB 0.997 69.877 68.868 0.020 0.000 1.136 246 T HN 1.097 nan 8.240 nan 0.000 0.551 247 S N 0.457 116.161 115.700 0.008 0.000 2.423 247 S HA -0.195 4.275 4.470 0.000 0.000 0.238 247 S C 1.153 175.757 174.600 0.007 0.000 1.028 247 S CA 1.603 59.807 58.200 0.006 0.000 1.000 247 S CB -0.650 62.552 63.200 0.004 0.000 0.797 247 S HN 0.859 nan 8.310 nan 0.000 0.487 248 E N -0.512 119.695 120.200 0.010 0.000 2.441 248 E HA 0.446 4.796 4.350 0.000 0.000 0.212 248 E C -0.186 176.422 176.600 0.013 0.000 0.840 248 E CA -0.084 56.323 56.400 0.011 0.000 1.143 248 E CB 0.668 30.373 29.700 0.010 0.000 1.153 248 E HN 0.272 nan 8.360 nan 0.000 0.539 249 V N 0.678 120.602 119.914 0.017 0.000 2.628 249 V HA 0.550 4.670 4.120 0.000 0.000 0.306 249 V C 1.100 177.206 176.094 0.020 0.000 1.045 249 V CA -0.213 62.098 62.300 0.020 0.000 0.905 249 V CB 1.615 33.453 31.823 0.024 0.000 0.997 249 V HN 0.298 nan 8.190 nan 0.000 0.436 250 G N 3.489 112.300 108.800 0.018 0.000 2.942 250 G HA2 -0.124 3.836 3.960 0.000 0.000 0.199 250 G HA3 -0.124 3.836 3.960 0.000 0.000 0.199 250 G C 0.610 175.526 174.900 0.027 0.000 1.440 250 G CA 1.020 46.132 45.100 0.019 0.000 0.815 250 G HN 0.921 nan 8.290 nan 0.000 0.675 251 S N -0.835 114.882 115.700 0.027 0.000 2.449 251 S HA 0.440 4.910 4.470 0.000 0.000 0.310 251 S C 1.238 175.859 174.600 0.035 0.000 1.096 251 S CA -0.778 57.444 58.200 0.037 0.000 1.095 251 S CB 1.357 64.576 63.200 0.031 0.000 1.007 251 S HN 0.224 nan 8.310 nan 0.000 0.474 252 L N 5.750 127.005 121.223 0.053 0.000 1.989 252 L HA -0.117 4.223 4.340 0.000 0.000 0.211 252 L C 2.859 179.727 176.870 -0.002 0.000 1.071 252 L CA 2.257 57.122 54.840 0.042 0.000 0.749 252 L CB -1.133 40.985 42.059 0.098 0.000 0.890 252 L HN 0.811 nan 8.230 nan 0.000 0.431 253 V N -2.110 117.796 119.914 -0.013 0.000 2.324 253 V HA -0.184 3.936 4.120 0.000 0.000 0.250 253 V C 2.341 178.423 176.094 -0.021 0.000 1.060 253 V CA 1.906 64.182 62.300 -0.041 0.000 1.042 253 V CB -1.916 29.880 31.823 -0.045 0.000 0.650 253 V HN 0.397 nan 8.190 nan 0.000 0.450 254 G N 1.274 110.074 108.800 -0.001 0.000 2.679 254 G HA2 -0.370 3.590 3.960 0.000 0.000 0.217 254 G HA3 -0.370 3.590 3.960 0.000 0.000 0.217 254 G C 1.890 176.790 174.900 0.000 0.000 1.267 254 G CA 2.623 47.724 45.100 0.002 0.000 0.799 254 G HN 0.955 nan 8.290 nan 0.000 0.606 255 S N 0.076 115.779 115.700 0.004 0.000 2.387 255 S HA -0.193 4.277 4.470 0.000 0.000 0.230 255 S C 2.416 177.016 174.600 -0.001 0.000 1.035 255 S CA 2.082 60.285 58.200 0.005 0.000 1.014 255 S CB -0.684 62.522 63.200 0.009 0.000 0.836 255 S HN 0.418 nan 8.310 nan 0.000 0.466 256 S N 1.437 117.131 115.700 -0.009 0.000 2.348 256 S HA -0.102 4.368 4.470 0.000 0.000 0.221 256 S C 2.125 176.715 174.600 -0.018 0.000 1.033 256 S CA 1.570 59.759 58.200 -0.018 0.000 1.010 256 S CB -0.971 62.206 63.200 -0.038 0.000 0.891 256 S HN 0.639 nan 8.310 nan 0.000 0.442 257 S N 0.946 116.634 115.700 -0.019 0.000 2.359 257 S HA -0.129 4.341 4.470 0.000 0.000 0.223 257 S C 2.034 176.631 174.600 -0.006 0.000 1.039 257 S CA 1.961 60.153 58.200 -0.014 0.000 1.042 257 S CB -1.178 62.013 63.200 -0.014 0.000 0.915 257 S HN 0.741 nan 8.310 nan 0.000 0.439 258 T N 3.241 117.794 114.554 -0.002 0.000 2.580 258 T HA -0.118 4.232 4.350 0.000 0.000 0.265 258 T C 1.837 176.540 174.700 0.005 0.000 1.063 258 T CA 1.598 63.700 62.100 0.004 0.000 1.170 258 T CB -0.797 68.075 68.868 0.006 0.000 0.863 258 T HN 0.235 nan 8.240 nan 0.000 0.418 259 L N 0.855 122.081 121.223 0.005 0.000 2.042 259 L HA -0.143 4.197 4.340 0.000 0.000 0.210 259 L C 2.933 179.806 176.870 0.005 0.000 1.076 259 L CA 1.186 56.030 54.840 0.007 0.000 0.749 259 L CB -0.708 41.355 42.059 0.006 0.000 0.893 259 L HN 0.223 nan 8.230 nan 0.000 0.432 260 S N -0.802 114.898 115.700 -0.001 0.000 2.368 260 S HA -0.222 4.248 4.470 0.000 0.000 0.225 260 S C 1.956 176.555 174.600 -0.001 0.000 1.030 260 S CA 1.186 59.384 58.200 -0.003 0.000 0.999 260 S CB -0.226 62.968 63.200 -0.010 0.000 0.844 260 S HN 0.462 nan 8.310 nan 0.000 0.459 261 Q N 0.791 120.592 119.800 0.001 0.000 2.096 261 Q HA -0.145 4.195 4.340 0.000 0.000 0.204 261 Q C 2.509 178.513 176.000 0.008 0.000 0.982 261 Q CA 1.477 57.282 55.803 0.003 0.000 0.850 261 Q CB -0.413 28.327 28.738 0.005 0.000 0.901 261 Q HN 0.610 nan 8.270 nan 0.000 0.422 262 A N 1.188 124.015 122.820 0.011 0.000 1.858 262 A HA -0.203 4.117 4.320 0.000 0.000 0.216 262 A C 2.077 179.670 177.584 0.015 0.000 1.190 262 A CA 1.339 53.386 52.037 0.016 0.000 0.617 262 A CB -0.785 18.227 19.000 0.020 0.000 0.827 262 A HN 0.297 nan 8.150 nan 0.000 0.443 263 I N 0.780 121.356 120.570 0.010 0.000 2.074 263 I HA -0.372 3.798 4.170 0.000 0.000 0.238 263 I C 2.952 179.071 176.117 0.003 0.000 1.037 263 I CA 2.195 63.499 61.300 0.007 0.000 1.301 263 I CB -0.490 37.512 38.000 0.004 0.000 1.016 263 I HN 0.533 nan 8.210 nan 0.000 0.400 264 S N 0.092 115.792 115.700 0.001 0.000 2.419 264 S HA -0.199 4.271 4.470 0.000 0.000 0.233 264 S C 2.038 176.636 174.600 -0.003 0.000 1.016 264 S CA 1.584 59.782 58.200 -0.003 0.000 0.974 264 S CB -1.272 61.926 63.200 -0.004 0.000 0.786 264 S HN 0.643 nan 8.310 nan 0.000 0.492 265 T N -0.394 114.162 114.554 0.003 0.000 2.746 265 T HA -0.018 4.332 4.350 0.000 0.000 0.267 265 T C 1.727 176.429 174.700 0.004 0.000 1.039 265 T CA 1.345 63.448 62.100 0.006 0.000 1.142 265 T CB -0.574 68.304 68.868 0.016 0.000 0.866 265 T HN 0.245 nan 8.240 nan 0.000 0.444 266 M N 2.155 121.759 119.600 0.007 0.000 2.108 266 M HA 0.174 4.654 4.480 0.000 0.000 0.261 266 M C 2.662 178.955 176.300 -0.012 0.000 1.066 266 M CA 1.299 56.601 55.300 0.003 0.000 1.107 266 M CB -1.175 31.430 32.600 0.009 0.000 1.356 266 M HN 0.451 nan 8.290 nan 0.000 0.406 267 A N -0.678 122.135 122.820 -0.012 0.000 1.892 267 A HA -0.105 4.215 4.320 0.000 0.000 0.218 267 A C 2.355 179.919 177.584 -0.032 0.000 1.188 267 A CA 2.053 54.078 52.037 -0.019 0.000 0.631 267 A CB -1.663 17.329 19.000 -0.014 0.000 0.822 267 A HN 0.559 nan 8.150 nan 0.000 0.447 268 G N -1.068 107.712 108.800 -0.033 0.000 2.421 268 G HA2 -0.167 3.793 3.960 0.000 0.000 0.217 268 G HA3 -0.167 3.793 3.960 0.000 0.000 0.217 268 G C 1.579 176.429 174.900 -0.083 0.000 1.143 268 G CA 0.984 46.055 45.100 -0.048 0.000 0.784 268 G HN 0.557 nan 8.290 nan 0.000 0.541 269 K N 0.158 120.511 120.400 -0.078 0.000 2.211 269 K HA -0.091 4.229 4.320 0.000 0.000 0.203 269 K C 0.788 177.300 176.600 -0.147 0.000 1.050 269 K CA 0.726 56.934 56.287 -0.131 0.000 0.945 269 K CB -0.075 32.384 32.500 -0.067 0.000 0.732 269 K HN 0.164 nan 8.250 nan 0.000 0.451 270 D N -0.050 120.297 120.400 -0.089 0.000 2.911 270 D HA -0.220 4.420 4.640 0.000 0.000 0.227 270 D C 0.335 176.607 176.300 -0.046 0.000 1.164 270 D CA 0.778 54.739 54.000 -0.065 0.000 0.782 270 D CB -0.556 40.200 40.800 -0.073 0.000 1.094 270 D HN 0.235 nan 8.370 nan 0.000 0.425 271 L N -0.373 120.828 121.223 -0.036 0.000 3.400 271 L HA -0.439 3.901 4.340 0.000 0.000 0.158 271 L C 1.975 178.847 176.870 0.003 0.000 4.462 271 L CA 2.953 57.786 54.840 -0.013 0.000 0.423 271 L CB -1.677 40.379 42.059 -0.004 0.000 3.561 271 L HN 0.208 nan 8.230 nan 0.000 0.641 272 D N -0.716 119.684 120.400 0.001 0.000 2.200 272 D HA -0.251 4.389 4.640 0.000 0.000 0.192 272 D C 2.067 178.397 176.300 0.050 0.000 1.008 272 D CA 2.084 56.094 54.000 0.017 0.000 0.872 272 D CB -0.157 40.647 40.800 0.006 0.000 0.923 272 D HN 0.308 nan 8.370 nan 0.000 0.447 273 L N 1.027 122.278 121.223 0.047 0.000 2.201 273 L HA -0.295 4.045 4.340 0.000 0.000 0.233 273 L C 2.344 179.385 176.870 0.285 0.000 1.115 273 L CA 1.635 56.565 54.840 0.150 0.000 0.840 273 L CB -0.658 41.400 42.059 -0.002 0.000 0.924 273 L HN 0.223 nan 8.230 nan 0.000 0.450 274 I N -1.260 119.417 120.570 0.178 0.000 2.493 274 I HA -0.156 4.014 4.170 0.000 0.000 0.254 274 I C 0.929 177.094 176.117 0.080 0.000 1.160 274 I CA 0.763 62.145 61.300 0.136 0.000 1.445 274 I CB -0.952 37.098 38.000 0.083 0.000 1.086 274 I HN 0.279 nan 8.210 nan 0.000 0.433 275 E N 1.602 121.840 120.200 0.064 0.000 2.341 275 E HA 0.423 4.773 4.350 0.000 0.000 0.279 275 E C -0.155 176.466 176.600 0.035 0.000 1.395 275 E CA -0.074 56.347 56.400 0.036 0.000 1.648 275 E CB 0.190 29.904 29.700 0.023 0.000 1.524 275 E HN 0.259 nan 8.360 nan 0.000 0.462 276 A N 1.196 124.039 122.820 0.039 0.000 2.466 276 A HA 0.379 4.699 4.320 0.000 0.000 0.291 276 A C -0.232 177.352 177.584 0.000 0.000 1.234 276 A CA -0.726 51.327 52.037 0.027 0.000 0.752 276 A CB 0.617 19.652 19.000 0.059 0.000 1.153 276 A HN 0.172 nan 8.150 nan 0.000 0.458 277 D N 0.749 121.143 120.400 -0.009 0.000 2.197 277 D HA 0.060 4.700 4.640 0.000 0.000 0.212 277 D C 1.021 177.285 176.300 -0.060 0.000 0.963 277 D CA 1.867 55.852 54.000 -0.024 0.000 0.864 277 D CB 0.200 40.992 40.800 -0.013 0.000 1.009 277 D HN 0.594 nan 8.370 nan 0.000 0.479 278 T N -0.870 113.654 114.554 -0.050 0.000 2.859 278 T HA 0.508 4.858 4.350 0.000 0.000 0.281 278 T C -2.686 171.980 174.700 -0.058 0.000 1.005 278 T CA -2.253 59.811 62.100 -0.061 0.000 1.025 278 T CB 1.440 70.285 68.868 -0.038 0.000 0.977 278 T HN -0.283 nan 8.240 nan 0.000 0.458 279 P HA 0.017 nan 4.420 nan 0.000 0.241 279 P C -0.969 176.319 177.300 -0.020 0.000 1.093 279 P CA 0.113 63.176 63.100 -0.061 0.000 0.843 279 P CB -0.176 31.489 31.700 -0.057 0.000 0.760 280 L N 7.456 128.678 121.223 -0.003 0.000 2.272 280 L HA 0.497 4.837 4.340 0.000 0.000 0.289 280 L C -2.231 174.686 176.870 0.079 0.000 1.032 280 L CA -2.505 52.366 54.840 0.052 0.000 0.810 280 L CB 1.156 43.278 42.059 0.105 0.000 1.205 280 L HN 0.165 nan 8.230 nan 0.000 0.422 281 P HA -0.013 nan 4.420 nan 0.000 0.266 281 P C 1.299 178.665 177.300 0.109 0.000 1.215 281 P CA -0.060 63.082 63.100 0.069 0.000 0.763 281 P CB 0.861 32.586 31.700 0.042 0.000 0.806 282 V N 2.825 122.803 119.914 0.106 0.000 2.251 282 V HA -0.406 3.714 4.120 0.000 0.000 0.259 282 V C 2.227 178.403 176.094 0.137 0.000 1.078 282 V CA 3.041 65.423 62.300 0.136 0.000 1.072 282 V CB -2.664 29.217 31.823 0.096 0.000 0.681 282 V HN 0.621 nan 8.190 nan 0.000 0.454 283 S N 0.442 116.191 115.700 0.081 0.000 2.387 283 S HA -0.191 4.279 4.470 0.000 0.000 0.230 283 S C 1.851 176.469 174.600 0.030 0.000 1.035 283 S CA 1.936 60.166 58.200 0.051 0.000 1.014 283 S CB -1.051 62.166 63.200 0.029 0.000 0.836 283 S HN 0.611 nan 8.310 nan 0.000 0.466 284 V N 0.629 120.561 119.914 0.031 0.000 2.270 284 V HA -0.047 4.073 4.120 0.000 0.000 0.245 284 V C 2.153 178.193 176.094 -0.091 0.000 1.043 284 V CA 2.060 64.352 62.300 -0.013 0.000 1.014 284 V CB -0.913 30.915 31.823 0.009 0.000 0.645 284 V HN 0.529 nan 8.190 nan 0.000 0.447 285 F N 0.943 120.893 119.950 0.001 0.000 2.163 285 F HA -0.017 4.510 4.527 0.000 0.000 0.297 285 F C 1.378 177.224 175.800 0.076 0.000 1.094 285 F CA 0.997 59.005 58.000 0.013 0.000 1.290 285 F CB -0.145 38.891 39.000 0.061 0.000 1.017 285 F HN 0.049 nan 8.300 nan 0.000 0.483 286 T N 3.606 118.260 114.554 0.166 0.000 2.761 286 T HA 0.217 4.567 4.350 0.000 0.000 0.296 286 T C -1.891 172.865 174.700 0.093 0.000 0.934 286 T CA -1.125 61.099 62.100 0.206 0.000 1.091 286 T CB 1.310 70.297 68.868 0.198 0.000 0.896 286 T HN 0.044 nan 8.240 nan 0.000 0.515 287 P HA 0.245 nan 4.420 nan 0.000 0.322 287 P C -0.031 177.307 177.300 0.062 0.000 1.414 287 P CA -0.523 62.619 63.100 0.071 0.000 0.876 287 P CB 0.277 32.034 31.700 0.095 0.000 2.176 288 S N -0.740 114.990 115.700 0.051 0.000 2.499 288 S HA 0.454 4.924 4.470 0.000 0.000 0.279 288 S C -0.419 174.203 174.600 0.036 0.000 1.219 288 S CA -0.518 57.705 58.200 0.037 0.000 1.062 288 S CB -1.013 62.202 63.200 0.025 0.000 0.978 288 S HN 0.111 nan 8.310 nan 0.000 0.489 289 L N 3.617 124.858 121.223 0.031 0.000 2.325 289 L HA 0.776 5.116 4.340 0.000 0.000 0.278 289 L C 0.146 177.025 176.870 0.016 0.000 1.023 289 L CA -0.598 54.258 54.840 0.027 0.000 0.811 289 L CB 1.711 43.789 42.059 0.033 0.000 1.249 289 L HN 0.747 nan 8.230 nan 0.000 0.431 290 A N 3.794 126.622 122.820 0.013 0.000 2.337 290 A HA 0.843 5.163 4.320 0.000 0.000 0.331 290 A C -2.554 175.033 177.584 0.006 0.000 1.137 290 A CA -1.672 50.369 52.037 0.007 0.000 0.807 290 A CB 0.785 19.785 19.000 0.001 0.000 1.250 290 A HN 0.426 nan 8.150 nan 0.000 0.468 291 P HA 0.211 nan 4.420 nan 0.000 0.267 291 P C -0.418 176.876 177.300 -0.010 0.000 1.201 291 P CA 0.149 63.252 63.100 0.006 0.000 0.775 291 P CB 0.370 32.075 31.700 0.007 0.000 0.854 292 R N 0.462 120.958 120.500 -0.008 0.000 2.867 292 R HA 0.602 4.942 4.340 0.000 0.000 0.268 292 R C -0.804 175.359 176.300 -0.229 0.000 1.014 292 R CA -0.731 55.279 56.100 -0.151 0.000 0.946 292 R CB 1.799 31.958 30.300 -0.235 0.000 1.208 292 R HN 0.316 nan 8.270 nan 0.000 0.477 293 S N 1.361 116.802 115.700 -0.431 0.000 2.498 293 S HA 0.613 5.083 4.470 0.000 0.000 0.317 293 S C -1.254 173.097 174.600 -0.414 0.000 1.090 293 S CA -0.513 57.531 58.200 -0.259 0.000 1.089 293 S CB 0.630 63.764 63.200 -0.109 0.000 0.997 293 S HN 0.330 nan 8.310 nan 0.000 0.470 294 Y N 1.480 121.865 120.300 0.140 0.000 2.602 294 Y HA 0.611 5.161 4.550 0.000 0.000 0.342 294 Y C 0.452 176.425 175.900 0.122 0.000 1.029 294 Y CA -1.394 56.809 58.100 0.172 0.000 1.080 294 Y CB 1.392 40.064 38.460 0.353 0.000 1.284 294 Y HN 0.540 nan 8.280 nan 0.000 0.485 295 R N 0.804 121.453 120.500 0.248 0.000 2.589 295 R HA 0.600 4.940 4.340 0.000 0.000 0.293 295 R C -2.810 173.543 176.300 0.088 0.000 0.963 295 R CA -1.734 54.453 56.100 0.146 0.000 0.905 295 R CB 1.691 32.059 30.300 0.112 0.000 1.144 295 R HN 0.270 nan 8.270 nan 0.000 0.459 296 P HA -0.186 nan 4.420 nan 0.000 0.197 296 P C 0.776 178.050 177.300 -0.043 0.000 1.076 296 P CA 2.251 65.344 63.100 -0.013 0.000 0.876 296 P CB -0.076 31.614 31.700 -0.015 0.000 0.705 297 A N -1.430 121.329 122.820 -0.101 0.000 5.138 297 A HA -0.299 4.021 4.320 0.000 0.000 0.356 297 A C 1.112 178.491 177.584 -0.341 0.000 1.635 297 A CA 2.685 54.584 52.037 -0.230 0.000 0.691 297 A CB -2.303 16.661 19.000 -0.060 0.000 1.508 297 A HN 0.302 nan 8.150 nan 0.000 0.410 298 F N -1.323 118.624 119.950 -0.005 0.000 2.850 298 F HA 0.486 5.013 4.527 0.000 0.000 0.329 298 F C 0.483 176.270 175.800 -0.021 0.000 1.182 298 F CA -0.434 57.558 58.000 -0.013 0.000 1.270 298 F CB 0.578 39.575 39.000 -0.006 0.000 0.979 298 F HN 0.405 nan 8.300 nan 0.000 0.506 299 I N 1.253 121.889 120.570 0.110 0.000 3.138 299 I HA 0.117 4.287 4.170 0.000 0.000 0.288 299 I C 0.107 176.226 176.117 0.003 0.000 1.148 299 I CA -0.108 61.214 61.300 0.037 0.000 1.315 299 I CB 0.442 38.432 38.000 -0.017 0.000 1.426 299 I HN -0.115 nan 8.210 nan 0.000 0.615 300 K N 6.736 127.118 120.400 -0.031 0.000 2.404 300 K HA 0.323 4.643 4.320 0.000 0.000 0.257 300 K C -2.016 174.537 176.600 -0.077 0.000 1.026 300 K CA -1.790 54.475 56.287 -0.037 0.000 0.951 300 K CB 1.095 33.582 32.500 -0.023 0.000 1.203 300 K HN 0.261 nan 8.250 nan 0.000 0.446 301 P HA -0.239 nan 4.420 nan 0.000 0.218 301 P C 0.573 177.819 177.300 -0.090 0.000 1.152 301 P CA 1.493 64.532 63.100 -0.101 0.000 0.857 301 P CB 0.466 32.111 31.700 -0.091 0.000 0.787 302 E N -0.746 119.413 120.200 -0.068 0.000 2.085 302 E HA -0.172 4.178 4.350 0.000 0.000 0.194 302 E C 1.750 178.317 176.600 -0.055 0.000 0.994 302 E CA 1.328 57.694 56.400 -0.056 0.000 0.801 302 E CB -0.577 29.097 29.700 -0.043 0.000 0.743 302 E HN 0.397 nan 8.360 nan 0.000 0.453 303 D N -0.418 119.946 120.400 -0.060 0.000 2.301 303 D HA 0.076 4.716 4.640 0.000 0.000 0.206 303 D C 0.158 176.414 176.300 -0.073 0.000 0.979 303 D CA 0.429 54.398 54.000 -0.052 0.000 0.874 303 D CB 0.331 41.111 40.800 -0.034 0.000 0.968 303 D HN 0.071 nan 8.370 nan 0.000 0.510 304 A N 1.841 124.582 122.820 -0.131 0.000 2.798 304 A HA 0.131 4.451 4.320 0.000 0.000 0.316 304 A C 1.269 178.691 177.584 -0.270 0.000 1.506 304 A CA -0.424 51.466 52.037 -0.244 0.000 1.162 304 A CB 0.182 18.968 19.000 -0.356 0.000 1.138 304 A HN -0.057 nan 8.150 nan 0.000 0.532 305 K N 1.783 122.105 120.400 -0.131 0.000 2.044 305 K HA -0.221 4.099 4.320 0.000 0.000 0.224 305 K C 1.560 178.143 176.600 -0.029 0.000 1.056 305 K CA 2.443 58.708 56.287 -0.037 0.000 0.962 305 K CB -0.276 32.270 32.500 0.078 0.000 0.730 305 K HN 1.040 nan 8.250 nan 0.000 0.453 306 W N 0.722 121.979 121.300 -0.071 0.000 3.077 306 W HA 0.272 4.932 4.660 0.000 0.000 0.245 306 W C 0.284 176.753 176.519 -0.083 0.000 1.316 306 W CA -0.075 57.215 57.345 -0.091 0.000 1.537 306 W CB -0.459 28.919 29.460 -0.136 0.000 1.131 306 W HN -0.017 nan 8.180 nan 0.000 0.695 307 I N 1.098 121.270 120.570 -0.664 0.000 2.586 307 I HA 0.527 4.697 4.170 0.000 0.000 0.281 307 I C -0.464 175.431 176.117 -0.371 0.000 1.145 307 I CA -0.203 60.742 61.300 -0.591 0.000 1.073 307 I CB 0.863 38.228 38.000 -1.058 0.000 1.238 307 I HN -0.097 nan 8.210 nan 0.000 0.461 308 A N 5.777 128.480 122.820 -0.193 0.000 2.468 308 A HA 0.915 5.235 4.320 0.000 0.000 0.270 308 A C -0.989 176.541 177.584 -0.091 0.000 1.217 308 A CA -0.416 51.545 52.037 -0.127 0.000 0.908 308 A CB 1.540 20.488 19.000 -0.085 0.000 1.423 308 A HN 0.542 nan 8.150 nan 0.000 0.459 309 E N -0.702 119.449 120.200 -0.081 0.000 2.317 309 E HA 0.454 4.804 4.350 0.000 0.000 0.270 309 E C -1.686 174.862 176.600 -0.087 0.000 0.885 309 E CA -0.594 55.768 56.400 -0.064 0.000 0.760 309 E CB 1.784 31.436 29.700 -0.079 0.000 1.227 309 E HN 0.431 nan 8.360 nan 0.000 0.434 310 F N 3.588 123.483 119.950 -0.091 0.000 2.553 310 F HA 0.061 4.588 4.527 0.000 0.000 0.356 310 F C 0.806 176.563 175.800 -0.071 0.000 1.142 310 F CA -0.095 57.851 58.000 -0.090 0.000 1.322 310 F CB 0.489 39.431 39.000 -0.097 0.000 1.126 310 F HN 0.299 nan 8.300 nan 0.000 0.599 311 N N 3.845 121.632 118.700 -1.522 0.000 2.443 311 N HA 0.147 4.887 4.740 0.000 0.000 0.295 311 N C -0.978 174.139 175.510 -0.654 0.000 1.076 311 N CA -0.867 51.678 53.050 -0.842 0.000 0.919 311 N CB 0.956 39.075 38.487 -0.612 0.000 1.176 311 N HN 0.604 nan 8.380 nan 0.000 0.487 312 N N 0.864 119.410 118.700 -0.256 0.000 2.395 312 N HA -0.056 4.684 4.740 0.000 0.000 0.246 312 N C -1.003 174.477 175.510 -0.051 0.000 1.246 312 N CA 0.714 53.715 53.050 -0.081 0.000 0.879 312 N CB 0.093 38.551 38.487 -0.048 0.000 1.098 312 N HN 0.694 nan 8.380 nan 0.000 0.444 313 S N 0.141 115.868 115.700 0.045 0.000 3.027 313 S HA -0.027 4.443 4.470 0.000 0.000 0.809 313 S C 0.182 174.883 174.600 0.169 0.000 0.729 313 S CA 0.149 58.391 58.200 0.070 0.000 1.515 313 S CB -2.019 61.190 63.200 0.016 0.000 1.062 313 S HN 1.089 nan 8.310 nan 0.000 0.682 314 S N 1.464 117.255 115.700 0.151 0.000 6.084 314 S HA 0.497 4.967 4.470 0.000 0.000 0.113 314 S C -0.285 174.322 174.600 0.012 0.000 1.162 314 S CA -0.078 58.185 58.200 0.105 0.000 1.406 314 S CB -0.131 63.175 63.200 0.176 0.000 1.969 314 S HN 1.755 nan 8.310 nan 0.000 0.555 315 L N 2.128 123.338 121.223 -0.023 0.000 2.108 315 L HA -0.009 4.331 4.340 0.000 0.000 0.685 315 L C -1.546 175.263 176.870 -0.101 0.000 1.058 315 L CA -0.055 54.748 54.840 -0.061 0.000 1.399 315 L CB -1.123 40.911 42.059 -0.043 0.000 2.171 315 L HN 0.588 nan 8.230 nan 0.000 0.994 316 I N 2.324 122.802 120.570 -0.155 0.000 2.347 316 I HA 0.266 4.436 4.170 0.000 0.000 0.283 316 I C 1.177 177.203 176.117 -0.151 0.000 1.058 316 I CA -0.531 60.676 61.300 -0.155 0.000 1.202 316 I CB 1.026 38.911 38.000 -0.191 0.000 1.386 316 I HN 0.480 nan 8.210 nan 0.000 0.475 317 R N 3.125 123.548 120.500 -0.129 0.000 1.991 317 R HA 0.147 4.487 4.340 0.000 0.000 0.205 317 R C 0.519 176.722 176.300 -0.163 0.000 1.356 317 R CA 0.136 56.153 56.100 -0.139 0.000 1.066 317 R CB -0.297 29.939 30.300 -0.107 0.000 0.854 317 R HN 0.132 nan 8.270 nan 0.000 0.487 318 K N 2.399 122.724 120.400 -0.125 0.000 2.310 318 K HA 0.122 4.442 4.320 0.000 0.000 0.290 318 K C -1.196 175.346 176.600 -0.097 0.000 1.077 318 K CA 0.017 56.232 56.287 -0.120 0.000 0.922 318 K CB 0.634 33.080 32.500 -0.091 0.000 1.057 318 K HN 0.474 nan 8.250 nan 0.000 0.479 319 T N 2.462 116.955 114.554 -0.102 0.000 2.812 319 T HA 0.357 4.707 4.350 0.000 0.000 0.282 319 T C -0.381 174.309 174.700 -0.017 0.000 0.990 319 T CA -1.051 61.016 62.100 -0.056 0.000 0.960 319 T CB 0.826 69.667 68.868 -0.046 0.000 0.948 319 T HN 0.411 nan 8.240 nan 0.000 0.438 320 L N 4.645 125.860 121.223 -0.014 0.000 2.559 320 L HA 0.247 4.587 4.340 0.000 0.000 0.274 320 L C 1.563 178.452 176.870 0.031 0.000 1.205 320 L CA 1.220 56.060 54.840 -0.001 0.000 0.907 320 L CB 0.596 42.639 42.059 -0.027 0.000 1.153 320 L HN 1.070 nan 8.230 nan 0.000 0.490 321 T N 1.941 116.539 114.554 0.072 0.000 3.000 321 T HA 0.174 4.524 4.350 0.000 0.000 0.248 321 T C 0.105 174.901 174.700 0.160 0.000 1.034 321 T CA 0.062 62.239 62.100 0.128 0.000 1.060 321 T CB -0.018 68.971 68.868 0.201 0.000 0.983 321 T HN 0.447 nan 8.240 nan 0.000 0.482 322 Y N 1.021 121.343 120.300 0.036 0.000 2.829 322 Y HA 0.577 5.127 4.550 0.000 0.000 0.322 322 Y C -1.129 174.783 175.900 0.020 0.000 1.357 322 Y CA -2.110 56.006 58.100 0.027 0.000 1.081 322 Y CB 1.448 39.925 38.460 0.028 0.000 1.339 322 Y HN -0.016 nan 8.280 nan 0.000 0.469 323 S N 1.842 116.465 115.700 -1.796 0.000 2.519 323 S HA 0.341 4.811 4.470 0.000 0.000 0.310 323 S C 0.742 175.067 174.600 -0.457 0.000 1.201 323 S CA 0.753 58.410 58.200 -0.904 0.000 1.179 323 S CB -0.670 62.107 63.200 -0.705 0.000 1.104 323 S HN 1.384 nan 8.310 nan 0.000 0.527 324 G N 2.446 111.093 108.800 -0.255 0.000 2.341 324 G HA2 -0.073 3.887 3.960 0.000 0.000 0.292 324 G HA3 -0.073 3.887 3.960 0.000 0.000 0.292 324 G C 0.061 174.924 174.900 -0.061 0.000 1.021 324 G CA 0.186 45.215 45.100 -0.120 0.000 0.905 324 G HN 1.191 nan 8.290 nan 0.000 0.508 325 A N -0.662 122.123 122.820 -0.057 0.000 2.414 325 A HA 1.006 5.326 4.320 0.000 0.000 0.306 325 A C 0.026 177.640 177.584 0.050 0.000 1.054 325 A CA 0.351 52.410 52.037 0.036 0.000 0.724 325 A CB 1.779 20.868 19.000 0.148 0.000 1.267 325 A HN 1.635 nan 8.150 nan 0.000 0.418 326 T N -0.917 113.677 114.554 0.067 0.000 2.912 326 T HA 0.645 4.995 4.350 0.000 0.000 0.299 326 T C -1.161 173.602 174.700 0.105 0.000 1.052 326 T CA -0.495 61.640 62.100 0.059 0.000 0.996 326 T CB 1.355 70.226 68.868 0.004 0.000 1.070 326 T HN 1.135 nan 8.240 nan 0.000 0.465 327 Y N 1.793 122.089 120.300 -0.007 0.000 2.442 327 Y HA 0.552 5.102 4.550 0.000 0.000 0.344 327 Y C -0.200 175.691 175.900 -0.014 0.000 0.976 327 Y CA -0.991 57.097 58.100 -0.020 0.000 1.040 327 Y CB 2.014 40.491 38.460 0.027 0.000 1.228 327 Y HN 0.952 nan 8.280 nan 0.000 0.451 328 T N 3.188 117.265 114.554 -0.795 0.000 2.782 328 T HA 0.160 4.510 4.350 0.000 0.000 0.298 328 T C 0.903 174.964 174.700 -1.065 0.000 0.944 328 T CA -0.318 61.367 62.100 -0.693 0.000 1.001 328 T CB 0.631 69.331 68.868 -0.279 0.000 0.932 328 T HN 0.667 nan 8.240 nan 0.000 0.524 329 V N 2.752 122.181 119.914 -0.809 0.000 2.759 329 V HA -0.087 4.033 4.120 0.000 0.000 0.256 329 V C 1.655 177.675 176.094 -0.123 0.000 1.080 329 V CA 1.824 63.902 62.300 -0.370 0.000 1.101 329 V CB -1.079 30.680 31.823 -0.106 0.000 0.698 329 V HN 1.146 nan 8.190 nan 0.000 0.477 330 Q N -1.093 118.601 119.800 -0.177 0.000 2.481 330 Q HA -0.239 4.101 4.340 0.000 0.000 0.272 330 Q C -0.150 175.784 176.000 -0.111 0.000 1.157 330 Q CA 0.882 56.604 55.803 -0.135 0.000 0.935 330 Q CB -2.341 26.321 28.738 -0.127 0.000 1.338 330 Q HN 0.589 nan 8.270 nan 0.000 0.494 331 L N -0.334 120.811 121.223 -0.130 0.000 2.780 331 L HA 0.298 4.638 4.340 0.000 0.000 0.275 331 L C 1.083 177.922 176.870 -0.051 0.000 1.153 331 L CA 2.134 56.881 54.840 -0.154 0.000 0.993 331 L CB -0.259 41.577 42.059 -0.372 0.000 1.319 331 L HN 0.411 nan 8.230 nan 0.000 0.479 332 G N 4.193 113.045 108.800 0.086 0.000 3.507 332 G HA2 0.224 4.184 3.960 0.000 0.000 0.162 332 G HA3 0.224 4.184 3.960 0.000 0.000 0.162 332 G C -2.819 172.166 174.900 0.141 0.000 1.230 332 G CA -0.137 45.066 45.100 0.171 0.000 1.412 332 G HN 0.376 nan 8.290 nan 0.000 0.723 333 P HA 0.235 nan 4.420 nan 0.000 0.263 333 P C 0.710 178.009 177.300 -0.001 0.000 1.276 333 P CA 1.498 64.600 63.100 0.003 0.000 0.986 333 P CB 0.003 31.691 31.700 -0.019 0.000 1.105 334 G N 4.532 113.330 108.800 -0.003 0.000 2.323 334 G HA2 -0.198 3.762 3.960 0.000 0.000 0.292 334 G HA3 -0.198 3.762 3.960 0.000 0.000 0.292 334 G C -2.176 172.719 174.900 -0.009 0.000 1.040 334 G CA -0.771 44.316 45.100 -0.022 0.000 0.942 334 G HN 0.354 nan 8.290 nan 0.000 0.506 335 P HA 0.285 nan 4.420 nan 0.000 0.263 335 P C 1.356 178.663 177.300 0.012 0.000 1.345 335 P CA 0.893 64.015 63.100 0.038 0.000 1.119 335 P CB -0.055 31.692 31.700 0.078 0.000 1.363 336 T N 1.447 115.980 114.554 -0.035 0.000 13.732 336 T HA -0.270 4.080 4.350 0.000 0.000 0.419 336 T C 0.587 175.262 174.700 -0.042 0.000 1.441 336 T CA 0.832 62.898 62.100 -0.057 0.000 2.344 336 T CB -0.873 67.960 68.868 -0.058 0.000 2.781 336 T HN 0.439 nan 8.240 nan 0.000 0.464 337 R N 0.435 120.926 120.500 -0.015 0.000 2.663 337 R HA 0.566 4.906 4.340 0.000 0.000 0.267 337 R C -1.226 175.086 176.300 0.020 0.000 1.038 337 R CA -0.457 55.633 56.100 -0.016 0.000 0.886 337 R CB 1.705 31.977 30.300 -0.046 0.000 1.249 337 R HN 0.740 nan 8.270 nan 0.000 0.463 338 V N 0.263 120.184 119.914 0.011 0.000 2.311 338 V HA 0.535 4.655 4.120 0.000 0.000 0.275 338 V C 0.055 176.188 176.094 0.065 0.000 1.022 338 V CA -0.819 61.511 62.300 0.050 0.000 0.830 338 V CB 0.743 32.583 31.823 0.028 0.000 1.012 338 V HN 0.503 nan 8.190 nan 0.000 0.452 339 I N 5.382 126.034 120.570 0.137 0.000 2.363 339 I HA 0.265 4.435 4.170 0.000 0.000 0.292 339 I C 0.488 176.707 176.117 0.170 0.000 1.075 339 I CA 0.412 61.803 61.300 0.153 0.000 1.333 339 I CB 0.356 38.512 38.000 0.260 0.000 1.415 339 I HN 0.586 nan 8.210 nan 0.000 0.502 340 D N 8.375 128.854 120.400 0.132 0.000 2.558 340 D HA 0.110 4.750 4.640 0.000 0.000 0.221 340 D C 0.483 176.793 176.300 0.017 0.000 1.143 340 D CA -0.004 54.067 54.000 0.118 0.000 1.010 340 D CB 0.746 41.612 40.800 0.110 0.000 1.068 340 D HN 0.403 nan 8.370 nan 0.000 0.511 341 M N 0.984 120.487 119.600 -0.162 0.000 2.723 341 M HA 0.032 4.512 4.480 0.000 0.000 0.270 341 M C 0.339 176.412 176.300 -0.378 0.000 1.282 341 M CA -0.337 54.611 55.300 -0.587 0.000 0.995 341 M CB -1.330 30.444 32.600 -1.378 0.000 1.430 341 M HN -0.016 nan 8.290 nan 0.000 0.477 342 N N 1.619 120.239 118.700 -0.134 0.000 2.605 342 N HA 0.340 5.080 4.740 0.000 0.000 0.258 342 N C 0.225 175.771 175.510 0.061 0.000 1.156 342 N CA 0.328 53.364 53.050 -0.023 0.000 1.008 342 N CB 0.197 38.666 38.487 -0.031 0.000 1.354 342 N HN 0.416 nan 8.380 nan 0.000 0.509 343 A N 3.626 126.533 122.820 0.145 0.000 2.519 343 A HA -0.173 4.147 4.320 0.000 0.000 0.297 343 A C 0.078 177.769 177.584 0.179 0.000 1.472 343 A CA 0.577 52.725 52.037 0.186 0.000 0.739 343 A CB -1.456 17.616 19.000 0.120 0.000 1.096 343 A HN 0.589 nan 8.150 nan 0.000 0.414 344 M N 0.924 120.692 119.600 0.281 0.000 3.307 344 M HA 0.392 4.872 4.480 0.000 0.000 0.222 344 M C 0.741 177.223 176.300 0.304 0.000 1.243 344 M CA -0.106 55.325 55.300 0.219 0.000 1.270 344 M CB -1.615 31.040 32.600 0.092 0.000 1.187 344 M HN 1.353 nan 8.290 nan 0.000 0.598 345 I N -1.355 119.317 120.570 0.170 0.000 7.292 345 I HA -0.337 3.833 4.170 0.000 0.000 0.126 345 I C -0.677 175.391 176.117 -0.082 0.000 1.519 345 I CA 0.746 62.080 61.300 0.057 0.000 2.398 345 I CB -0.545 37.468 38.000 0.021 0.000 3.030 345 I HN 0.465 nan 8.210 nan 0.000 0.266 346 D N 1.620 121.911 120.400 -0.183 0.000 2.381 346 D HA 0.617 5.257 4.640 0.000 0.000 0.235 346 D C -0.726 175.409 176.300 -0.276 0.000 1.068 346 D CA -0.286 53.488 54.000 -0.377 0.000 0.832 346 D CB 1.566 42.186 40.800 -0.300 0.000 1.101 346 D HN 0.607 nan 8.370 nan 0.000 0.515 347 S N 0.548 116.037 115.700 -0.351 0.000 2.632 347 S HA 0.569 5.039 4.470 0.000 0.000 0.289 347 S C -0.501 174.035 174.600 -0.107 0.000 1.115 347 S CA -0.706 57.413 58.200 -0.135 0.000 0.889 347 S CB 2.322 65.557 63.200 0.058 0.000 1.116 347 S HN 0.171 nan 8.310 nan 0.000 0.486 348 V N 2.468 122.353 119.914 -0.047 0.000 2.376 348 V HA 0.350 4.470 4.120 0.000 0.000 0.287 348 V C -0.581 175.487 176.094 -0.044 0.000 1.015 348 V CA -0.494 61.785 62.300 -0.035 0.000 0.834 348 V CB 1.094 32.897 31.823 -0.033 0.000 1.001 348 V HN 0.709 nan 8.190 nan 0.000 0.428 349 L N 4.702 125.886 121.223 -0.065 0.000 2.451 349 L HA 0.159 4.499 4.340 0.000 0.000 0.272 349 L C 0.690 177.445 176.870 -0.191 0.000 1.258 349 L CA 0.152 54.899 54.840 -0.156 0.000 1.132 349 L CB -0.303 41.567 42.059 -0.315 0.000 1.361 349 L HN 0.637 nan 8.230 nan 0.000 0.438 350 T N 3.291 117.764 114.554 -0.136 0.000 3.182 350 T HA 0.166 4.516 4.350 0.000 0.000 0.274 350 T C 0.029 174.630 174.700 -0.165 0.000 0.997 350 T CA -0.258 61.729 62.100 -0.189 0.000 1.082 350 T CB -0.016 68.754 68.868 -0.162 0.000 1.005 350 T HN 0.136 nan 8.240 nan 0.000 0.688 351 L N 4.349 125.468 121.223 -0.173 0.000 2.278 351 L HA 0.319 4.659 4.340 0.000 0.000 0.287 351 L C -0.449 176.378 176.870 -0.072 0.000 1.072 351 L CA -0.056 54.732 54.840 -0.087 0.000 0.819 351 L CB 0.480 42.501 42.059 -0.063 0.000 1.176 351 L HN 0.408 nan 8.230 nan 0.000 0.435 352 D N 5.877 126.266 120.400 -0.018 0.000 2.446 352 D HA 0.250 4.890 4.640 0.000 0.000 0.251 352 D C -0.781 175.556 176.300 0.062 0.000 1.137 352 D CA -0.173 53.838 54.000 0.018 0.000 0.890 352 D CB 1.600 42.409 40.800 0.015 0.000 1.071 352 D HN 0.213 nan 8.370 nan 0.000 0.528 353 V N 0.739 120.712 119.914 0.099 0.000 2.394 353 V HA 0.647 4.767 4.120 0.000 0.000 0.282 353 V C 0.410 176.622 176.094 0.198 0.000 1.031 353 V CA -0.394 61.993 62.300 0.145 0.000 0.881 353 V CB 1.435 33.361 31.823 0.172 0.000 0.982 353 V HN 0.435 nan 8.190 nan 0.000 0.451 354 S N 2.501 118.301 115.700 0.168 0.000 2.565 354 S HA 0.742 5.212 4.470 0.000 0.000 0.269 354 S C 0.509 175.197 174.600 0.146 0.000 1.153 354 S CA 0.802 59.097 58.200 0.158 0.000 0.835 354 S CB 1.648 64.892 63.200 0.073 0.000 1.122 354 S HN 2.008 nan 8.310 nan 0.000 0.462 355 G N 2.016 110.903 108.800 0.145 0.000 5.045 355 G HA2 -0.255 3.705 3.960 0.000 0.000 0.229 355 G HA3 -0.255 3.705 3.960 0.000 0.000 0.229 355 G C 0.242 175.237 174.900 0.157 0.000 1.440 355 G CA 0.308 45.483 45.100 0.125 0.000 0.936 355 G HN 1.393 nan 8.290 nan 0.000 0.690 356 T N 1.696 116.332 114.554 0.137 0.000 2.751 356 T HA 0.403 4.753 4.350 0.000 0.000 0.279 356 T C 1.112 175.873 174.700 0.101 0.000 0.941 356 T CA 1.173 63.337 62.100 0.106 0.000 1.192 356 T CB 1.237 70.137 68.868 0.053 0.000 0.883 356 T HN 0.722 nan 8.240 nan 0.000 0.534 357 I N 3.607 124.246 120.570 0.115 0.000 4.228 357 I HA 0.319 4.489 4.170 0.000 0.000 0.298 357 I C -0.075 176.139 176.117 0.162 0.000 1.206 357 I CA -0.011 61.328 61.300 0.065 0.000 1.322 357 I CB 0.288 38.307 38.000 0.032 0.000 1.411 357 I HN 0.624 nan 8.210 nan 0.000 0.454 358 L N 2.881 124.186 121.223 0.137 0.000 3.642 358 L HA -0.173 4.167 4.340 0.000 0.000 0.613 358 L C -2.080 174.819 176.870 0.049 0.000 1.064 358 L CA -0.595 54.333 54.840 0.147 0.000 1.039 358 L CB -1.735 40.470 42.059 0.243 0.000 1.226 358 L HN 0.202 nan 8.230 nan 0.000 0.764 359 P HA -0.042 nan 4.420 nan 0.000 0.265 359 P C -0.087 177.113 177.300 -0.165 0.000 1.187 359 P CA 0.015 62.983 63.100 -0.219 0.000 0.766 359 P CB 0.350 31.976 31.700 -0.124 0.000 0.820 360 Y N 2.311 122.425 120.300 -0.309 0.000 2.846 360 Y HA -0.248 4.302 4.550 0.000 0.000 0.352 360 Y C 1.807 177.653 175.900 -0.091 0.000 1.298 360 Y CA -0.266 57.622 58.100 -0.353 0.000 1.634 360 Y CB -0.338 37.811 38.460 -0.519 0.000 1.214 360 Y HN 0.567 nan 8.280 nan 0.000 0.529 361 D N 1.250 121.790 120.400 0.233 0.000 2.632 361 D HA -0.365 4.275 4.640 0.000 0.000 0.588 361 D C 0.952 177.316 176.300 0.107 0.000 0.941 361 D CA 2.381 56.494 54.000 0.189 0.000 1.653 361 D CB -0.520 40.425 40.800 0.241 0.000 0.356 361 D HN 0.538 nan 8.370 nan 0.000 0.482 362 T N 0.334 114.942 114.554 0.089 0.000 3.523 362 T HA 0.214 4.564 4.350 0.000 0.000 0.265 362 T C -1.522 173.202 174.700 0.040 0.000 0.986 362 T CA -0.648 61.485 62.100 0.055 0.000 1.616 362 T CB -0.610 68.283 68.868 0.041 0.000 0.803 362 T HN 0.021 nan 8.240 nan 0.000 0.603 363 N N 3.822 122.549 118.700 0.045 0.000 2.372 363 N HA 0.424 5.164 4.740 0.000 0.000 0.291 363 N C -2.315 173.216 175.510 0.035 0.000 1.024 363 N CA -1.922 51.147 53.050 0.031 0.000 0.873 363 N CB 2.155 40.649 38.487 0.012 0.000 1.206 363 N HN 0.251 nan 8.380 nan 0.000 0.486 364 P HA 0.080 nan 4.420 nan 0.000 0.285 364 P C -0.686 176.629 177.300 0.025 0.000 1.521 364 P CA 0.420 63.530 63.100 0.017 0.000 0.792 364 P CB 0.033 31.740 31.700 0.011 0.000 1.613 365 D N -0.041 120.393 120.400 0.057 0.000 2.772 365 D HA 0.176 4.816 4.640 0.000 0.000 0.272 365 D C 1.473 177.809 176.300 0.061 0.000 1.314 365 D CA -0.178 53.884 54.000 0.103 0.000 0.835 365 D CB 0.563 41.444 40.800 0.134 0.000 1.080 365 D HN 0.211 nan 8.370 nan 0.000 0.482 366 L N 0.086 121.288 121.223 -0.034 0.000 2.084 366 L HA -0.017 4.323 4.340 0.000 0.000 0.202 366 L C 1.359 178.153 176.870 -0.127 0.000 1.074 366 L CA 0.521 55.282 54.840 -0.131 0.000 0.757 366 L CB -0.425 41.584 42.059 -0.082 0.000 0.918 366 L HN -0.030 nan 8.230 nan 0.000 0.444 367 S N -0.123 115.542 115.700 -0.058 0.000 2.562 367 S HA 0.187 4.657 4.470 0.000 0.000 0.281 367 S C 0.849 175.431 174.600 -0.028 0.000 1.333 367 S CA 0.175 58.354 58.200 -0.035 0.000 1.052 367 S CB 0.806 63.999 63.200 -0.012 0.000 0.884 367 S HN 0.531 nan 8.310 nan 0.000 0.506 368 T N -1.749 112.789 114.554 -0.026 0.000 5.686 368 T HA -0.198 4.152 4.350 0.000 0.000 0.270 368 T C 0.061 174.745 174.700 -0.027 0.000 2.203 368 T CA 0.520 62.612 62.100 -0.013 0.000 3.730 368 T CB -3.079 65.798 68.868 0.015 0.000 0.770 368 T HN 1.503 nan 8.240 nan 0.000 1.144 369 S N 1.141 116.783 115.700 -0.098 0.000 2.448 369 S HA 0.721 5.191 4.470 0.000 0.000 0.320 369 S C 0.220 174.702 174.600 -0.198 0.000 1.071 369 S CA -0.294 57.803 58.200 -0.171 0.000 1.113 369 S CB 1.817 64.734 63.200 -0.471 0.000 0.972 369 S HN 1.452 nan 8.310 nan 0.000 0.465 370 V N -0.373 119.454 119.914 -0.146 0.000 2.630 370 V HA 0.691 4.811 4.120 0.000 0.000 0.305 370 V C -3.126 172.862 176.094 -0.176 0.000 1.046 370 V CA -3.204 58.996 62.300 -0.168 0.000 0.934 370 V CB 0.977 32.747 31.823 -0.088 0.000 1.003 370 V HN 0.480 nan 8.190 nan 0.000 0.451 371 P HA 0.442 nan 4.420 nan 0.000 0.265 371 P C -0.424 176.826 177.300 -0.083 0.000 1.222 371 P CA 0.673 63.642 63.100 -0.218 0.000 0.767 371 P CB 0.610 32.101 31.700 -0.349 0.000 0.801 372 A N 3.938 126.723 122.820 -0.059 0.000 2.479 372 A HA 0.757 5.077 4.320 0.000 0.000 0.296 372 A C -1.606 176.022 177.584 0.075 0.000 1.121 372 A CA -0.622 51.420 52.037 0.008 0.000 0.743 372 A CB 1.118 20.093 19.000 -0.043 0.000 1.323 372 A HN 0.422 nan 8.150 nan 0.000 0.415 373 F N 1.532 121.476 119.950 -0.010 0.000 2.458 373 F HA 0.660 5.187 4.527 0.000 0.000 0.336 373 F C -0.967 174.851 175.800 0.029 0.000 1.114 373 F CA -0.524 57.484 58.000 0.012 0.000 0.987 373 F CB 1.727 40.741 39.000 0.024 0.000 1.130 373 F HN 0.325 nan 8.300 nan 0.000 0.458 374 V N 7.577 126.973 119.914 -0.863 0.000 2.444 374 V HA 0.348 4.468 4.120 0.000 0.000 0.294 374 V C -0.612 174.959 176.094 -0.871 0.000 1.022 374 V CA -0.814 61.102 62.300 -0.638 0.000 0.850 374 V CB 1.460 33.129 31.823 -0.257 0.000 0.992 374 V HN 0.719 nan 8.190 nan 0.000 0.426 375 L N 6.123 127.014 121.223 -0.553 0.000 2.350 375 L HA 0.576 4.916 4.340 0.000 0.000 0.275 375 L C -0.394 176.432 176.870 -0.074 0.000 1.099 375 L CA 0.372 55.077 54.840 -0.226 0.000 0.808 375 L CB 1.025 43.097 42.059 0.022 0.000 1.149 375 L HN 0.516 nan 8.230 nan 0.000 0.442 376 I N 4.253 124.846 120.570 0.038 0.000 2.362 376 I HA 0.338 4.508 4.170 0.000 0.000 0.289 376 I C -0.493 175.736 176.117 0.186 0.000 0.994 376 I CA -0.379 60.988 61.300 0.111 0.000 1.158 376 I CB 1.359 39.448 38.000 0.149 0.000 1.315 376 I HN 0.547 nan 8.210 nan 0.000 0.451 377 Q N 4.477 124.334 119.800 0.095 0.000 2.788 377 Q HA 0.348 4.688 4.340 0.000 0.000 0.261 377 Q C -0.571 175.422 176.000 -0.012 0.000 1.029 377 Q CA -0.234 55.581 55.803 0.020 0.000 0.848 377 Q CB 1.763 30.498 28.738 -0.004 0.000 1.185 377 Q HN 0.631 nan 8.270 nan 0.000 0.482 378 T N -0.988 113.575 114.554 0.015 0.000 2.886 378 T HA 0.256 4.606 4.350 0.000 0.000 0.292 378 T C 0.539 175.104 174.700 -0.224 0.000 1.012 378 T CA -0.476 61.612 62.100 -0.019 0.000 0.982 378 T CB 1.441 70.361 68.868 0.086 0.000 1.018 378 T HN 0.236 nan 8.240 nan 0.000 0.451 379 S N 2.321 117.838 115.700 -0.304 0.000 2.660 379 S HA 0.114 4.584 4.470 0.000 0.000 0.223 379 S C 0.440 175.096 174.600 0.094 0.000 0.963 379 S CA -0.057 57.883 58.200 -0.433 0.000 0.932 379 S CB -0.081 62.944 63.200 -0.292 0.000 0.775 379 S HN 0.551 nan 8.310 nan 0.000 0.531 380 V N 4.167 124.180 119.914 0.164 0.000 2.311 380 V HA 0.274 4.394 4.120 0.000 0.000 0.275 380 V C -2.538 173.753 176.094 0.329 0.000 1.022 380 V CA -2.335 60.102 62.300 0.229 0.000 0.830 380 V CB 0.973 32.864 31.823 0.112 0.000 1.012 380 V HN 0.044 nan 8.190 nan 0.000 0.452 381 P HA 0.074 nan 4.420 nan 0.000 0.262 381 P C 1.380 178.743 177.300 0.105 0.000 1.199 381 P CA -0.006 63.278 63.100 0.307 0.000 0.763 381 P CB 0.436 32.230 31.700 0.157 0.000 0.790 382 I N 2.381 122.905 120.570 -0.078 0.000 2.317 382 I HA -0.349 3.821 4.170 0.000 0.000 0.244 382 I C 1.798 177.967 176.117 0.086 0.000 0.986 382 I CA 2.132 63.351 61.300 -0.134 0.000 1.286 382 I CB -1.322 36.486 38.000 -0.321 0.000 0.983 382 I HN 0.464 nan 8.210 nan 0.000 0.422 383 Q N -0.206 119.629 119.800 0.058 0.000 2.364 383 Q HA -0.178 4.162 4.340 0.000 0.000 0.207 383 Q C 1.992 178.050 176.000 0.097 0.000 0.970 383 Q CA 0.945 56.791 55.803 0.072 0.000 0.888 383 Q CB -0.296 28.438 28.738 -0.007 0.000 0.951 383 Q HN 0.570 nan 8.270 nan 0.000 0.469 384 Q N -1.073 118.776 119.800 0.082 0.000 2.425 384 Q HA 0.090 4.430 4.340 0.000 0.000 0.204 384 Q C -0.251 175.784 176.000 0.059 0.000 0.933 384 Q CA 0.169 56.014 55.803 0.069 0.000 0.939 384 Q CB 0.696 29.473 28.738 0.065 0.000 1.044 384 Q HN 0.063 nan 8.270 nan 0.000 0.513 385 V N 2.168 122.116 119.914 0.057 0.000 2.276 385 V HA 0.071 4.191 4.120 0.000 0.000 0.249 385 V C 1.076 177.123 176.094 -0.078 0.000 1.160 385 V CA 0.679 62.964 62.300 -0.026 0.000 1.042 385 V CB -0.218 31.544 31.823 -0.101 0.000 1.224 385 V HN 0.396 nan 8.190 nan 0.000 0.496 386 T N -0.569 113.962 114.554 -0.039 0.000 3.023 386 T HA 0.109 4.459 4.350 0.000 0.000 0.249 386 T C 0.881 175.540 174.700 -0.068 0.000 1.050 386 T CA 0.649 62.724 62.100 -0.043 0.000 1.088 386 T CB 0.478 69.352 68.868 0.010 0.000 0.946 386 T HN 0.652 nan 8.240 nan 0.000 0.480 387 T N -1.857 112.661 114.554 -0.061 0.000 2.910 387 T HA 0.775 5.125 4.350 0.000 0.000 0.287 387 T C 1.592 176.251 174.700 -0.068 0.000 1.050 387 T CA -0.222 61.840 62.100 -0.062 0.000 1.011 387 T CB 1.471 70.314 68.868 -0.041 0.000 1.195 387 T HN 0.099 nan 8.240 nan 0.000 0.540 388 A N 0.790 123.572 122.820 -0.064 0.000 1.958 388 A HA 0.079 4.399 4.320 0.000 0.000 0.221 388 A C 2.612 180.171 177.584 -0.042 0.000 1.178 388 A CA 2.524 54.527 52.037 -0.057 0.000 0.642 388 A CB -1.658 17.312 19.000 -0.050 0.000 0.816 388 A HN 1.435 nan 8.150 nan 0.000 0.453 389 A N 0.555 123.355 122.820 -0.034 0.000 1.917 389 A HA -0.280 4.040 4.320 0.000 0.000 0.219 389 A C 1.802 179.375 177.584 -0.018 0.000 1.182 389 A CA 2.168 54.192 52.037 -0.023 0.000 0.633 389 A CB -0.864 18.125 19.000 -0.017 0.000 0.819 389 A HN 0.649 nan 8.150 nan 0.000 0.448 390 N N 0.684 119.371 118.700 -0.021 0.000 2.094 390 N HA -0.213 4.527 4.740 0.000 0.000 0.191 390 N C 1.468 176.972 175.510 -0.010 0.000 1.023 390 N CA 1.896 54.939 53.050 -0.013 0.000 0.857 390 N CB -0.855 37.621 38.487 -0.018 0.000 1.013 390 N HN 0.741 nan 8.380 nan 0.000 0.426 391 I N -1.951 118.604 120.570 -0.026 0.000 2.300 391 I HA -0.273 3.897 4.170 0.000 0.000 0.252 391 I C 1.132 177.250 176.117 0.001 0.000 1.119 391 I CA 1.237 62.525 61.300 -0.019 0.000 1.384 391 I CB -1.251 36.728 38.000 -0.035 0.000 1.062 391 I HN 0.093 nan 8.210 nan 0.000 0.426 392 T N -0.109 114.442 114.554 -0.005 0.000 13.467 392 T HA -0.363 3.987 4.350 0.000 0.000 0.419 392 T C 0.619 175.316 174.700 -0.006 0.000 1.441 392 T CA 2.258 64.354 62.100 -0.008 0.000 2.354 392 T CB -1.800 67.060 68.868 -0.014 0.000 2.797 392 T HN 1.200 nan 8.240 nan 0.000 0.557 393 A N 1.961 124.781 122.820 0.000 0.000 2.310 393 A HA 0.691 5.011 4.320 0.000 0.000 0.304 393 A C -0.180 177.409 177.584 0.007 0.000 1.231 393 A CA -0.745 51.294 52.037 0.004 0.000 0.799 393 A CB 0.215 19.217 19.000 0.004 0.000 1.162 393 A HN 0.797 nan 8.150 nan 0.000 0.486 394 I N 1.703 122.272 120.570 -0.001 0.000 2.287 394 I HA 0.482 4.652 4.170 0.000 0.000 0.290 394 I C 0.269 176.384 176.117 -0.002 0.000 1.069 394 I CA -0.267 61.029 61.300 -0.007 0.000 1.237 394 I CB 0.888 38.883 38.000 -0.009 0.000 1.418 394 I HN 0.413 nan 8.210 nan 0.000 0.481 395 T N 2.869 117.416 114.554 -0.012 0.000 2.788 395 T HA 0.493 4.843 4.350 0.000 0.000 0.296 395 T C 0.001 174.682 174.700 -0.031 0.000 1.009 395 T CA -0.770 61.330 62.100 -0.000 0.000 0.949 395 T CB 1.095 69.974 68.868 0.019 0.000 0.946 395 T HN 0.339 nan 8.240 nan 0.000 0.453 396 V N 5.237 125.148 119.914 -0.005 0.000 2.400 396 V HA 0.025 4.145 4.120 0.000 0.000 0.263 396 V C 1.367 177.480 176.094 0.032 0.000 1.026 396 V CA -0.069 62.228 62.300 -0.005 0.000 1.077 396 V CB -0.466 31.373 31.823 0.027 0.000 1.054 396 V HN 0.903 nan 8.190 nan 0.000 0.477 397 V N 3.370 123.314 119.914 0.050 0.000 2.581 397 V HA 0.049 4.169 4.120 0.000 0.000 0.240 397 V C 1.121 177.317 176.094 0.170 0.000 1.054 397 V CA 0.956 63.342 62.300 0.143 0.000 1.076 397 V CB 0.323 32.288 31.823 0.237 0.000 0.748 397 V HN 0.796 nan 8.190 nan 0.000 0.474 398 S N 0.408 116.242 115.700 0.224 0.000 2.328 398 S HA 0.727 5.197 4.470 0.000 0.000 0.204 398 S C 0.397 175.077 174.600 0.134 0.000 1.475 398 S CA 0.320 58.648 58.200 0.214 0.000 1.148 398 S CB 1.208 64.582 63.200 0.289 0.000 1.077 398 S HN 0.491 nan 8.310 nan 0.000 0.479 399 A N 1.409 124.280 122.820 0.086 0.000 2.295 399 A HA 0.799 5.119 4.320 0.000 0.000 0.193 399 A C 1.193 178.808 177.584 0.051 0.000 1.512 399 A CA 0.729 52.799 52.037 0.055 0.000 1.103 399 A CB -0.425 18.588 19.000 0.021 0.000 1.331 399 A HN 1.392 nan 8.150 nan 0.000 0.501 400 A N -0.489 122.360 122.820 0.049 0.000 5.295 400 A HA -0.032 4.288 4.320 0.000 0.000 0.313 400 A C 1.498 179.089 177.584 0.011 0.000 1.912 400 A CA 1.295 53.354 52.037 0.037 0.000 0.714 400 A CB -2.029 17.002 19.000 0.052 0.000 1.319 400 A HN 2.118 nan 8.150 nan 0.000 0.375 401 G N -0.340 108.468 108.800 0.013 0.000 2.494 401 G HA2 0.611 4.571 3.960 0.000 0.000 0.297 401 G HA3 0.611 4.571 3.960 0.000 0.000 0.297 401 G C 0.203 175.092 174.900 -0.017 0.000 0.971 401 G CA 1.051 46.146 45.100 -0.009 0.000 1.378 401 G HN 2.117 nan 8.290 nan 0.000 0.456 402 A N 2.960 125.748 122.820 -0.052 0.000 3.126 402 A HA 0.585 4.905 4.320 0.000 0.000 0.268 402 A C 1.216 178.756 177.584 -0.073 0.000 1.605 402 A CA 0.146 52.147 52.037 -0.059 0.000 1.305 402 A CB -0.217 18.745 19.000 -0.063 0.000 1.160 402 A HN 0.893 nan 8.150 nan 0.000 0.609 403 S N 0.098 115.772 115.700 -0.044 0.000 3.657 403 S HA 0.930 5.400 4.470 0.000 0.000 0.183 403 S C 0.333 174.922 174.600 -0.019 0.000 0.995 403 S CA 0.243 58.425 58.200 -0.030 0.000 1.333 403 S CB 0.364 63.547 63.200 -0.028 0.000 1.197 403 S HN 2.119 nan 8.310 nan 0.000 0.856 404 A N -0.251 122.566 122.820 -0.004 0.000 2.519 404 A HA 0.635 4.955 4.320 0.000 0.000 0.298 404 A C -2.106 175.492 177.584 0.024 0.000 0.963 404 A CA -0.253 51.792 52.037 0.012 0.000 0.624 404 A CB -0.014 18.974 19.000 -0.020 0.000 1.356 404 A HN 1.394 nan 8.150 nan 0.000 0.441 405 I N 0.048 120.652 120.570 0.056 0.000 2.775 405 I HA 0.507 4.677 4.170 0.000 0.000 0.295 405 I C -0.961 175.207 176.117 0.085 0.000 1.287 405 I CA -0.471 60.859 61.300 0.050 0.000 1.029 405 I CB 2.102 40.123 38.000 0.034 0.000 1.282 405 I HN 0.571 nan 8.210 nan 0.000 0.426 406 N N 6.745 125.475 118.700 0.051 0.000 2.598 406 N HA 0.140 4.880 4.740 0.000 0.000 0.300 406 N C 0.763 176.300 175.510 0.045 0.000 1.224 406 N CA 0.276 53.360 53.050 0.057 0.000 1.125 406 N CB -0.190 38.313 38.487 0.027 0.000 1.468 406 N HN 0.540 nan 8.380 nan 0.000 0.504 407 L N -0.259 121.006 121.223 0.071 0.000 2.478 407 L HA 0.101 4.441 4.340 0.000 0.000 0.223 407 L C 1.099 177.909 176.870 -0.100 0.000 1.140 407 L CA -0.091 54.701 54.840 -0.080 0.000 0.842 407 L CB -0.233 41.653 42.059 -0.290 0.000 0.953 407 L HN 0.376 nan 8.230 nan 0.000 0.452 408 A N 0.633 123.494 122.820 0.068 0.000 2.450 408 A HA 0.303 4.623 4.320 0.000 0.000 0.255 408 A C 0.314 177.914 177.584 0.027 0.000 1.096 408 A CA -0.382 51.702 52.037 0.078 0.000 0.778 408 A CB -0.221 18.866 19.000 0.145 0.000 1.031 408 A HN 0.211 nan 8.150 nan 0.000 0.494 409 I N 3.247 123.827 120.570 0.016 0.000 2.710 409 I HA -0.096 4.074 4.170 0.000 0.000 0.307 409 I C 1.068 177.196 176.117 0.018 0.000 1.175 409 I CA 0.459 61.764 61.300 0.008 0.000 2.125 409 I CB -0.955 37.047 38.000 0.004 0.000 1.576 409 I HN 0.739 nan 8.210 nan 0.000 0.995 410 N N 2.143 120.853 118.700 0.017 0.000 2.463 410 N HA -0.066 4.674 4.740 0.000 0.000 0.181 410 N C 1.771 177.289 175.510 0.013 0.000 1.078 410 N CA 0.166 53.227 53.050 0.018 0.000 0.902 410 N CB 0.295 38.792 38.487 0.018 0.000 0.970 410 N HN 0.362 nan 8.380 nan 0.000 0.451 411 V N 0.878 120.798 119.914 0.010 0.000 2.392 411 V HA -0.200 3.920 4.120 0.000 0.000 0.249 411 V C 1.291 177.390 176.094 0.009 0.000 1.059 411 V CA 1.644 63.948 62.300 0.007 0.000 1.051 411 V CB -0.279 31.547 31.823 0.004 0.000 0.658 411 V HN 0.266 nan 8.190 nan 0.000 0.455 412 R N -0.478 120.028 120.500 0.011 0.000 2.652 412 R HA 0.447 4.787 4.340 0.000 0.000 0.372 412 R C 1.315 177.624 176.300 0.016 0.000 1.104 412 R CA 0.586 56.694 56.100 0.012 0.000 1.072 412 R CB 0.459 30.765 30.300 0.011 0.000 1.367 412 R HN 0.442 nan 8.270 nan 0.000 0.577 413 G N 0.002 108.812 108.800 0.017 0.000 2.267 413 G HA2 -0.367 3.593 3.960 0.000 0.000 0.257 413 G HA3 -0.367 3.593 3.960 0.000 0.000 0.257 413 G C 0.047 174.962 174.900 0.025 0.000 0.998 413 G CA -0.038 45.074 45.100 0.020 0.000 0.620 413 G HN 0.393 nan 8.290 nan 0.000 0.529 414 Q N 1.333 121.149 119.800 0.026 0.000 2.364 414 Q HA 0.460 4.800 4.340 0.000 0.000 0.267 414 Q C -2.177 173.848 176.000 0.042 0.000 0.999 414 Q CA -0.421 55.403 55.803 0.034 0.000 0.886 414 Q CB 1.176 29.933 28.738 0.032 0.000 1.243 414 Q HN 0.347 nan 8.270 nan 0.000 0.415 415 P HA 0.272 nan 4.420 nan 0.000 0.199 415 P C -1.214 176.143 177.300 0.095 0.000 1.878 415 P CA -0.542 62.600 63.100 0.069 0.000 1.202 415 P CB 0.761 32.499 31.700 0.063 0.000 1.719 416 R N 2.227 122.783 120.500 0.094 0.000 2.320 416 R HA 0.356 4.696 4.340 0.000 0.000 0.319 416 R C -0.499 175.880 176.300 0.131 0.000 0.969 416 R CA -1.022 55.141 56.100 0.104 0.000 0.857 416 R CB 0.550 30.887 30.300 0.062 0.000 1.160 416 R HN 0.316 nan 8.270 nan 0.000 0.491 417 F N 3.115 123.076 119.950 0.018 0.000 2.557 417 F HA -0.043 4.484 4.527 0.000 0.000 0.384 417 F C 1.309 177.120 175.800 0.018 0.000 1.057 417 F CA 0.123 58.133 58.000 0.017 0.000 1.169 417 F CB 0.250 39.263 39.000 0.021 0.000 1.070 417 F HN 0.542 nan 8.300 nan 0.000 0.554 418 N N 6.007 124.249 118.700 -0.764 0.000 2.283 418 N HA -0.101 4.639 4.740 0.000 0.000 0.236 418 N C -0.001 175.199 175.510 -0.517 0.000 1.252 418 N CA -0.380 52.310 53.050 -0.600 0.000 0.856 418 N CB 0.492 38.630 38.487 -0.580 0.000 1.099 418 N HN 0.641 nan 8.380 nan 0.000 0.444 419 M N 2.223 121.696 119.600 -0.213 0.000 2.435 419 M HA 0.193 4.673 4.480 0.000 0.000 0.338 419 M C -1.066 175.219 176.300 -0.024 0.000 1.628 419 M CA -0.275 54.986 55.300 -0.065 0.000 1.215 419 M CB 0.105 32.699 32.600 -0.010 0.000 1.905 419 M HN 0.367 nan 8.290 nan 0.000 0.457 420 L N 4.074 125.354 121.223 0.094 0.000 2.334 420 L HA 0.363 4.703 4.340 0.000 0.000 0.277 420 L C -0.734 176.241 176.870 0.175 0.000 1.075 420 L CA 0.039 54.983 54.840 0.174 0.000 0.804 420 L CB 1.042 43.297 42.059 0.326 0.000 1.174 420 L HN 0.728 nan 8.230 nan 0.000 0.438 421 H N 4.195 123.305 119.070 0.066 0.000 2.661 421 H HA 0.485 5.041 4.556 0.000 0.000 0.290 421 H C -1.049 174.311 175.328 0.054 0.000 1.082 421 H CA -0.441 55.636 56.048 0.050 0.000 1.234 421 H CB 0.450 30.230 29.762 0.029 0.000 1.387 421 H HN 0.546 nan 8.280 nan 0.000 0.476 422 L N 3.935 125.130 121.223 -0.046 0.000 2.357 422 L HA 0.368 4.708 4.340 0.000 0.000 0.273 422 L C -0.263 176.544 176.870 -0.104 0.000 1.080 422 L CA -0.721 54.109 54.840 -0.016 0.000 0.803 422 L CB 1.264 43.343 42.059 0.034 0.000 1.174 422 L HN 0.574 nan 8.230 nan 0.000 0.443 423 Q N 2.277 122.063 119.800 -0.024 0.000 2.304 423 Q HA 0.546 4.886 4.340 0.000 0.000 0.270 423 Q C -1.134 174.865 176.000 -0.002 0.000 1.035 423 Q CA -0.484 55.299 55.803 -0.035 0.000 0.781 423 Q CB 2.390 31.146 28.738 0.031 0.000 1.261 423 Q HN 0.669 nan 8.270 nan 0.000 0.444 424 A N 1.837 124.617 122.820 -0.067 0.000 2.536 424 A HA 0.377 4.697 4.320 0.000 0.000 0.329 424 A C 0.357 177.958 177.584 0.028 0.000 1.321 424 A CA -0.719 51.316 52.037 -0.004 0.000 0.804 424 A CB 0.009 18.929 19.000 -0.133 0.000 1.126 424 A HN 0.638 nan 8.150 nan 0.000 0.480 425 T N 0.610 115.189 114.554 0.043 0.000 3.235 425 T HA -0.048 4.302 4.350 0.000 0.000 0.211 425 T C 0.041 174.756 174.700 0.024 0.000 0.983 425 T CA 0.022 62.133 62.100 0.019 0.000 2.783 425 T CB -1.221 67.652 68.868 0.008 0.000 1.023 425 T HN 0.516 nan 8.240 nan 0.000 0.506 426 F N 3.559 123.497 119.950 -0.020 0.000 2.574 426 F HA 0.219 4.746 4.527 0.000 0.000 0.332 426 F C 0.022 175.815 175.800 -0.012 0.000 1.289 426 F CA -1.321 56.673 58.000 -0.010 0.000 1.029 426 F CB -0.721 38.259 39.000 -0.034 0.000 1.346 426 F HN 0.413 nan 8.300 nan 0.000 0.647 427 E N 6.277 126.247 120.200 -0.385 0.000 2.063 427 E HA 0.103 4.453 4.350 0.000 0.000 0.265 427 E C 1.258 177.756 176.600 -0.170 0.000 0.919 427 E CA -0.323 55.872 56.400 -0.343 0.000 0.756 427 E CB 0.730 30.331 29.700 -0.165 0.000 1.120 427 E HN 0.711 nan 8.360 nan 0.000 0.414 428 R N 1.901 122.253 120.500 -0.246 0.000 2.211 428 R HA -0.179 4.161 4.340 0.000 0.000 0.240 428 R C 0.673 176.991 176.300 0.031 0.000 1.144 428 R CA 1.357 57.484 56.100 0.045 0.000 0.992 428 R CB -0.065 30.316 30.300 0.136 0.000 0.869 428 R HN 0.205 nan 8.270 nan 0.000 0.462 429 E N 0.919 121.106 120.200 -0.022 0.000 2.153 429 E HA -0.106 4.244 4.350 0.000 0.000 0.194 429 E C 1.807 178.410 176.600 0.004 0.000 0.988 429 E CA 1.942 58.337 56.400 -0.009 0.000 0.811 429 E CB -0.174 29.510 29.700 -0.026 0.000 0.746 429 E HN 0.373 nan 8.360 nan 0.000 0.466 430 T N 0.600 115.158 114.554 0.006 0.000 2.721 430 T HA -0.187 4.163 4.350 0.000 0.000 0.268 430 T C 1.722 176.441 174.700 0.031 0.000 1.038 430 T CA 1.528 63.641 62.100 0.022 0.000 1.145 430 T CB -0.179 68.707 68.868 0.031 0.000 0.858 430 T HN 0.148 nan 8.240 nan 0.000 0.459 431 I N 0.120 120.717 120.570 0.044 0.000 3.616 431 I HA 0.097 4.267 4.170 0.000 0.000 0.296 431 I C 0.950 177.084 176.117 0.027 0.000 1.226 431 I CA 0.372 61.693 61.300 0.035 0.000 1.394 431 I CB -0.265 37.761 38.000 0.044 0.000 1.171 431 I HN 0.192 nan 8.210 nan 0.000 0.442 432 T N 0.047 114.623 114.554 0.037 0.000 3.882 432 T HA -0.129 4.221 4.350 0.000 0.000 0.366 432 T C 0.880 175.603 174.700 0.039 0.000 0.760 432 T CA 0.253 62.374 62.100 0.035 0.000 1.931 432 T CB -2.596 66.286 68.868 0.023 0.000 1.807 432 T HN 1.337 nan 8.240 nan 0.000 0.790 433 G N 1.531 110.361 108.800 0.050 0.000 2.575 433 G HA2 -0.091 3.869 3.960 0.000 0.000 0.267 433 G HA3 -0.091 3.869 3.960 0.000 0.000 0.267 433 G C 0.699 175.605 174.900 0.009 0.000 1.264 433 G CA 0.512 45.642 45.100 0.049 0.000 0.935 433 G HN 1.786 nan 8.290 nan 0.000 0.568 434 I N -2.703 117.888 120.570 0.036 0.000 4.519 434 I HA -0.231 3.939 4.170 0.000 0.000 0.056 434 I C -1.594 174.386 176.117 -0.227 0.000 0.610 434 I CA 1.997 63.285 61.300 -0.019 0.000 0.951 434 I CB -1.919 36.078 38.000 -0.006 0.000 0.858 434 I HN 0.742 nan 8.210 nan 0.000 0.164 435 P HA 0.273 nan 4.420 nan 0.000 0.219 435 P C -0.746 176.230 177.300 -0.540 0.000 1.847 435 P CA -0.142 62.674 63.100 -0.473 0.000 1.110 435 P CB -0.555 30.999 31.700 -0.242 0.000 1.839 436 Y N 1.114 121.329 120.300 -0.141 0.000 3.073 436 Y HA -0.063 4.487 4.550 0.000 0.000 0.343 436 Y C 1.088 176.566 175.900 -0.702 0.000 1.274 436 Y CA -0.374 57.528 58.100 -0.331 0.000 1.554 436 Y CB -0.591 37.675 38.460 -0.324 0.000 1.250 436 Y HN 0.156 nan 8.280 nan 0.000 0.622 437 I N 4.256 124.556 120.570 -0.450 0.000 2.325 437 I HA 0.253 4.423 4.170 0.000 0.000 0.291 437 I C -0.536 175.316 176.117 -0.440 0.000 1.019 437 I CA -0.205 60.870 61.300 -0.375 0.000 1.302 437 I CB -0.121 37.807 38.000 -0.120 0.000 1.401 437 I HN 0.461 nan 8.210 nan 0.000 0.485 438 Y N 3.754 124.086 120.300 0.053 0.000 2.602 438 Y HA 0.912 5.462 4.550 0.000 0.000 0.342 438 Y C 0.573 176.497 175.900 0.040 0.000 1.029 438 Y CA -1.327 56.801 58.100 0.048 0.000 1.080 438 Y CB 2.188 40.675 38.460 0.046 0.000 1.284 438 Y HN 0.559 nan 8.280 nan 0.000 0.485 439 G N 0.685 109.624 108.800 0.231 0.000 2.703 439 G HA2 0.550 4.510 3.960 0.000 0.000 0.294 439 G HA3 0.550 4.510 3.960 0.000 0.000 0.294 439 G C -2.630 172.308 174.900 0.063 0.000 1.451 439 G CA -0.634 44.501 45.100 0.058 0.000 0.869 439 G HN 0.553 nan 8.290 nan 0.000 0.516 440 L N 0.433 121.559 121.223 -0.162 0.000 2.303 440 L HA 0.985 5.325 4.340 0.000 0.000 0.256 440 L C 0.281 177.141 176.870 -0.017 0.000 1.034 440 L CA -0.467 54.347 54.840 -0.045 0.000 0.832 440 L CB 2.374 44.392 42.059 -0.068 0.000 1.403 440 L HN 0.908 nan 8.230 nan 0.000 0.419 441 G N -0.096 108.728 108.800 0.039 0.000 2.470 441 G HA2 0.608 4.568 3.960 0.000 0.000 0.320 441 G HA3 0.608 4.568 3.960 0.000 0.000 0.320 441 G C -1.314 173.545 174.900 -0.067 0.000 1.245 441 G CA -0.268 44.854 45.100 0.036 0.000 0.935 441 G HN 0.667 nan 8.290 nan 0.000 0.476 442 T N 0.981 115.470 114.554 -0.108 0.000 3.289 442 T HA 0.331 4.681 4.350 0.000 0.000 0.370 442 T C -0.787 173.820 174.700 -0.156 0.000 1.546 442 T CA -0.690 61.301 62.100 -0.182 0.000 1.144 442 T CB 0.251 69.141 68.868 0.038 0.000 1.379 442 T HN 0.965 nan 8.240 nan 0.000 0.478 443 F N 4.485 124.368 119.950 -0.111 0.000 2.583 443 F HA 0.399 4.926 4.527 0.000 0.000 0.330 443 F C -0.054 175.479 175.800 -0.444 0.000 1.298 443 F CA -1.295 56.577 58.000 -0.215 0.000 1.099 443 F CB -1.441 37.453 39.000 -0.178 0.000 1.540 443 F HN 0.379 nan 8.300 nan 0.000 0.673 444 L N 4.268 125.257 121.223 -0.389 0.000 2.326 444 L HA 0.575 4.915 4.340 0.000 0.000 0.278 444 L C -0.516 176.130 176.870 -0.373 0.000 1.092 444 L CA -0.533 53.786 54.840 -0.868 0.000 0.810 444 L CB 1.061 42.849 42.059 -0.452 0.000 1.153 444 L HN 0.668 nan 8.230 nan 0.000 0.439 445 I N 5.884 126.330 120.570 -0.206 0.000 2.569 445 I HA 0.423 4.593 4.170 0.000 0.000 0.296 445 I C -2.010 174.190 176.117 0.139 0.000 1.028 445 I CA -2.330 59.013 61.300 0.071 0.000 1.082 445 I CB 2.666 40.789 38.000 0.205 0.000 1.264 445 I HN 0.529 nan 8.210 nan 0.000 0.429 446 P HA -0.060 nan 4.420 nan 0.000 0.214 446 P C 0.114 177.487 177.300 0.123 0.000 1.162 446 P CA 0.623 63.815 63.100 0.153 0.000 0.871 446 P CB 0.182 31.973 31.700 0.150 0.000 0.783 447 S N 0.964 116.721 115.700 0.095 0.000 2.481 447 S HA 0.142 4.612 4.470 0.000 0.000 0.282 447 S C -2.315 172.316 174.600 0.052 0.000 1.243 447 S CA -1.338 56.904 58.200 0.070 0.000 1.078 447 S CB -0.799 62.434 63.200 0.055 0.000 0.916 447 S HN -0.129 nan 8.310 nan 0.000 0.495 448 P HA 0.084 nan 4.420 nan 0.000 0.264 448 P C -0.487 176.780 177.300 -0.054 0.000 1.193 448 P CA 0.015 63.113 63.100 -0.003 0.000 0.763 448 P CB 0.342 32.037 31.700 -0.009 0.000 0.810 449 T N -0.575 113.911 114.554 -0.114 0.000 2.795 449 T HA 0.281 4.631 4.350 0.000 0.000 0.282 449 T C 0.281 174.878 174.700 -0.173 0.000 0.980 449 T CA -0.787 61.170 62.100 -0.239 0.000 1.012 449 T CB 0.594 69.147 68.868 -0.524 0.000 0.936 449 T HN 0.147 nan 8.240 nan 0.000 0.457 450 S N 2.902 118.516 115.700 -0.143 0.000 2.686 450 S HA 0.094 4.564 4.470 0.000 0.000 0.324 450 S C 1.703 176.282 174.600 -0.034 0.000 1.172 450 S CA -0.227 57.931 58.200 -0.070 0.000 1.127 450 S CB -0.709 62.467 63.200 -0.040 0.000 1.338 450 S HN 0.856 nan 8.310 nan 0.000 0.547 451 S N 4.093 119.768 115.700 -0.042 0.000 2.389 451 S HA -0.190 4.280 4.470 0.000 0.000 0.231 451 S C 2.223 176.813 174.600 -0.017 0.000 1.052 451 S CA 2.356 60.539 58.200 -0.028 0.000 1.053 451 S CB -0.612 62.554 63.200 -0.056 0.000 0.886 451 S HN 0.998 nan 8.310 nan 0.000 0.456 452 S N 1.844 117.534 115.700 -0.017 0.000 2.348 452 S HA -0.149 4.321 4.470 0.000 0.000 0.221 452 S C 1.645 176.247 174.600 0.003 0.000 1.033 452 S CA 1.466 59.659 58.200 -0.012 0.000 1.010 452 S CB -1.120 62.072 63.200 -0.013 0.000 0.891 452 S HN 0.649 nan 8.310 nan 0.000 0.442 453 N N 1.921 120.632 118.700 0.018 0.000 2.000 453 N HA -0.061 4.679 4.740 0.000 0.000 0.198 453 N C 0.594 176.167 175.510 0.106 0.000 1.057 453 N CA 1.393 54.472 53.050 0.048 0.000 0.858 453 N CB -0.840 37.671 38.487 0.040 0.000 1.057 453 N HN 0.567 nan 8.380 nan 0.000 0.423 454 F N 1.952 121.849 119.950 -0.088 0.000 2.626 454 F HA 0.234 4.761 4.527 0.000 0.000 0.353 454 F C 1.211 176.968 175.800 -0.073 0.000 1.230 454 F CA -0.865 57.082 58.000 -0.088 0.000 1.298 454 F CB -0.353 38.533 39.000 -0.190 0.000 1.670 454 F HN 0.063 nan 8.300 nan 0.000 0.633 455 S N 1.310 116.927 115.700 -0.138 0.000 2.420 455 S HA -0.277 4.193 4.470 0.000 0.000 0.237 455 S C 1.046 175.427 174.600 -0.365 0.000 1.023 455 S CA 0.769 58.842 58.200 -0.212 0.000 0.991 455 S CB -0.784 62.351 63.200 -0.109 0.000 0.792 455 S HN 0.766 nan 8.310 nan 0.000 0.488 456 N N 3.384 121.735 118.700 -0.581 0.000 2.440 456 N HA 0.033 4.773 4.740 0.000 0.000 0.265 456 N C -1.330 173.768 175.510 -0.687 0.000 1.239 456 N CA -1.224 51.473 53.050 -0.589 0.000 0.909 456 N CB 1.116 39.262 38.487 -0.569 0.000 1.066 456 N HN 0.139 nan 8.380 nan 0.000 0.474 457 P HA -0.075 nan 4.420 nan 0.000 0.205 457 P C 0.303 177.653 177.300 0.083 0.000 1.193 457 P CA 1.345 64.382 63.100 -0.105 0.000 0.929 457 P CB 0.151 31.825 31.700 -0.042 0.000 0.772 458 T N -2.342 112.272 114.554 0.100 0.000 3.230 458 T HA 0.293 4.643 4.350 0.000 0.000 0.390 458 T C -0.926 173.734 174.700 -0.065 0.000 1.761 458 T CA -0.617 61.600 62.100 0.196 0.000 1.129 458 T CB -0.207 68.755 68.868 0.157 0.000 1.583 458 T HN -0.120 nan 8.240 nan 0.000 0.480 459 L N 3.879 125.005 121.223 -0.162 0.000 2.984 459 L HA 0.450 4.790 4.340 0.000 0.000 0.246 459 L C 1.163 177.856 176.870 -0.295 0.000 1.268 459 L CA -0.187 54.541 54.840 -0.186 0.000 1.054 459 L CB 0.137 42.239 42.059 0.072 0.000 1.393 459 L HN 0.556 nan 8.230 nan 0.000 0.532 460 M N 1.677 120.971 119.600 -0.510 0.000 3.042 460 M HA 0.083 4.563 4.480 0.000 0.000 0.283 460 M C -0.657 175.535 176.300 -0.181 0.000 1.473 460 M CA 0.480 55.542 55.300 -0.397 0.000 1.583 460 M CB -0.168 32.127 32.600 -0.509 0.000 1.221 460 M HN 0.181 nan 8.290 nan 0.000 0.518 461 D N 3.318 123.647 120.400 -0.119 0.000 2.518 461 D HA 0.306 4.946 4.640 0.000 0.000 0.230 461 D C 0.313 176.606 176.300 -0.012 0.000 1.138 461 D CA 0.056 54.015 54.000 -0.067 0.000 0.964 461 D CB 1.176 41.917 40.800 -0.099 0.000 1.011 461 D HN 0.727 nan 8.370 nan 0.000 0.517 462 G N 0.914 109.719 108.800 0.009 0.000 3.407 462 G HA2 0.436 4.396 3.960 0.000 0.000 0.187 462 G HA3 0.436 4.396 3.960 0.000 0.000 0.187 462 G C -0.758 174.175 174.900 0.056 0.000 1.262 462 G CA -0.201 44.923 45.100 0.041 0.000 0.808 462 G HN 0.304 nan 8.290 nan 0.000 0.687 463 L N -0.449 120.810 121.223 0.060 0.000 2.330 463 L HA 0.836 5.176 4.340 0.000 0.000 0.271 463 L C -1.439 175.477 176.870 0.077 0.000 1.013 463 L CA -0.838 54.045 54.840 0.072 0.000 0.816 463 L CB 2.083 44.177 42.059 0.058 0.000 1.287 463 L HN 0.319 nan 8.230 nan 0.000 0.435 464 L N 3.068 124.367 121.223 0.127 0.000 2.454 464 L HA 0.475 4.815 4.340 0.000 0.000 0.258 464 L C -0.792 176.210 176.870 0.220 0.000 1.025 464 L CA 0.163 55.094 54.840 0.152 0.000 0.901 464 L CB 1.204 43.383 42.059 0.201 0.000 1.210 464 L HN 0.634 nan 8.230 nan 0.000 0.457 465 T N 3.913 118.530 114.554 0.104 0.000 2.997 465 T HA 0.285 4.635 4.350 0.000 0.000 0.311 465 T C 0.205 174.950 174.700 0.075 0.000 1.079 465 T CA -0.247 61.907 62.100 0.090 0.000 0.982 465 T CB 0.274 69.153 68.868 0.018 0.000 1.032 465 T HN 0.255 nan 8.240 nan 0.000 0.581 466 V N 4.687 124.693 119.914 0.153 0.000 2.493 466 V HA 0.019 4.139 4.120 0.000 0.000 0.292 466 V C 1.104 177.210 176.094 0.020 0.000 1.016 466 V CA 0.233 62.545 62.300 0.021 0.000 1.097 466 V CB 0.106 31.836 31.823 -0.155 0.000 0.947 466 V HN 0.813 nan 8.190 nan 0.000 0.479 467 T N 9.059 123.603 114.554 -0.015 0.000 3.364 467 T HA 0.172 4.521 4.350 0.000 0.000 0.323 467 T C -2.000 172.680 174.700 -0.033 0.000 1.323 467 T CA -0.861 61.229 62.100 -0.016 0.000 1.073 467 T CB 0.197 69.058 68.868 -0.013 0.000 1.150 467 T HN 0.579 nan 8.240 nan 0.000 0.727 468 P HA 0.057 nan 4.420 nan 0.000 0.244 468 P C 1.474 178.753 177.300 -0.036 0.000 1.723 468 P CA -0.129 62.946 63.100 -0.043 0.000 1.110 468 P CB -0.243 31.439 31.700 -0.030 0.000 1.972 469 V N 1.090 120.974 119.914 -0.051 0.000 2.317 469 V HA -0.213 3.907 4.120 0.000 0.000 0.251 469 V C 1.349 177.419 176.094 -0.041 0.000 1.065 469 V CA 1.300 63.572 62.300 -0.046 0.000 1.049 469 V CB -1.454 30.333 31.823 -0.059 0.000 0.651 469 V HN 0.195 nan 8.190 nan 0.000 0.450 470 L N 0.737 121.928 121.223 -0.054 0.000 2.387 470 L HA 0.370 4.710 4.340 0.000 0.000 0.267 470 L C 1.018 177.876 176.870 -0.019 0.000 1.197 470 L CA 0.188 55.003 54.840 -0.042 0.000 1.070 470 L CB 0.314 42.335 42.059 -0.063 0.000 1.349 470 L HN 0.152 nan 8.230 nan 0.000 0.422 471 L N 2.194 123.413 121.223 -0.006 0.000 2.450 471 L HA -0.028 4.312 4.340 0.000 0.000 0.224 471 L C 1.076 177.958 176.870 0.019 0.000 1.149 471 L CA 0.769 55.616 54.840 0.012 0.000 0.816 471 L CB -0.585 41.482 42.059 0.014 0.000 0.932 471 L HN 0.410 nan 8.230 nan 0.000 0.449 472 R N 1.677 122.182 120.500 0.008 0.000 2.343 472 R HA 0.076 4.416 4.340 0.000 0.000 0.326 472 R C -0.072 176.239 176.300 0.017 0.000 1.055 472 R CA 0.079 56.186 56.100 0.012 0.000 0.961 472 R CB -0.792 29.510 30.300 0.004 0.000 0.978 472 R HN 0.244 nan 8.270 nan 0.000 0.443 473 E N 1.307 121.526 120.200 0.032 0.000 6.247 473 E HA -0.132 4.218 4.350 0.000 0.000 0.184 473 E C -1.207 175.421 176.600 0.047 0.000 1.139 473 E CA 0.186 56.608 56.400 0.038 0.000 1.420 473 E CB -0.442 29.274 29.700 0.027 0.000 0.963 473 E HN 0.694 nan 8.360 nan 0.000 0.328 474 T N 1.677 116.271 114.554 0.067 0.000 2.884 474 T HA 0.339 4.689 4.350 0.000 0.000 0.298 474 T C 0.519 175.267 174.700 0.080 0.000 0.998 474 T CA -0.195 61.949 62.100 0.074 0.000 1.124 474 T CB 1.391 70.319 68.868 0.099 0.000 0.931 474 T HN 0.273 nan 8.240 nan 0.000 0.531 475 T N 3.261 117.860 114.554 0.075 0.000 2.853 475 T HA 0.077 4.427 4.350 0.000 0.000 0.298 475 T C -0.514 174.264 174.700 0.131 0.000 0.978 475 T CA -0.047 62.108 62.100 0.093 0.000 1.152 475 T CB -0.302 68.606 68.868 0.067 0.000 0.914 475 T HN 0.651 nan 8.240 nan 0.000 0.539 476 Y N 4.340 124.640 120.300 0.000 0.000 2.676 476 Y HA 0.249 4.799 4.550 0.000 0.000 0.338 476 Y C 0.397 176.302 175.900 0.008 0.000 1.057 476 Y CA -0.810 57.285 58.100 -0.008 0.000 1.314 476 Y CB -0.279 38.167 38.460 -0.023 0.000 1.164 476 Y HN 0.705 nan 8.280 nan 0.000 0.509 477 K N 4.402 124.752 120.400 -0.083 0.000 4.361 477 K HA -0.237 4.083 4.320 0.000 0.000 0.294 477 K C 1.019 177.643 176.600 0.040 0.000 0.970 477 K CA 0.641 56.877 56.287 -0.085 0.000 0.913 477 K CB -1.688 30.670 32.500 -0.237 0.000 1.583 477 K HN 1.153 nan 8.250 nan 0.000 0.438 478 G N 0.792 109.633 108.800 0.068 0.000 2.382 478 G HA2 -0.392 3.568 3.960 0.000 0.000 0.259 478 G HA3 -0.392 3.568 3.960 0.000 0.000 0.259 478 G C 0.009 174.966 174.900 0.093 0.000 1.009 478 G CA 0.883 46.035 45.100 0.087 0.000 0.625 478 G HN 0.608 nan 8.290 nan 0.000 0.541 479 E N 0.976 121.248 120.200 0.120 0.000 1.932 479 E HA 0.389 4.739 4.350 0.000 0.000 0.275 479 E C 0.339 177.003 176.600 0.107 0.000 1.159 479 E CA -0.489 55.984 56.400 0.121 0.000 0.905 479 E CB 1.168 30.969 29.700 0.170 0.000 1.059 479 E HN 0.168 nan 8.360 nan 0.000 0.400 480 V N 4.925 124.886 119.914 0.079 0.000 2.399 480 V HA -0.031 4.089 4.120 0.000 0.000 0.245 480 V C 0.218 176.341 176.094 0.049 0.000 1.089 480 V CA 0.319 62.658 62.300 0.064 0.000 1.196 480 V CB -0.269 31.588 31.823 0.058 0.000 1.221 480 V HN 0.334 nan 8.190 nan 0.000 0.482 481 V N 3.763 123.708 119.914 0.052 0.000 2.715 481 V HA 0.396 4.516 4.120 0.000 0.000 0.310 481 V C 0.856 176.965 176.094 0.025 0.000 1.054 481 V CA -0.576 61.739 62.300 0.025 0.000 0.928 481 V CB 2.301 34.123 31.823 -0.002 0.000 1.007 481 V HN 0.746 nan 8.190 nan 0.000 0.437 482 D N 3.930 124.338 120.400 0.012 0.000 2.348 482 D HA 0.141 4.781 4.640 0.000 0.000 0.248 482 D C 0.246 176.556 176.300 0.016 0.000 1.142 482 D CA 0.619 54.630 54.000 0.018 0.000 0.904 482 D CB 0.446 41.255 40.800 0.014 0.000 0.901 482 D HN 0.557 nan 8.370 nan 0.000 0.523 483 A N 0.820 123.638 122.820 -0.002 0.000 2.356 483 A HA 0.546 4.866 4.320 0.000 0.000 0.310 483 A C -0.692 176.874 177.584 -0.030 0.000 1.075 483 A CA -0.572 51.447 52.037 -0.031 0.000 0.746 483 A CB 1.545 20.483 19.000 -0.104 0.000 1.221 483 A HN -0.010 nan 8.150 nan 0.000 0.443 484 I N 3.763 124.320 120.570 -0.023 0.000 2.411 484 I HA 0.319 4.489 4.170 0.000 0.000 0.284 484 I C -0.109 175.904 176.117 -0.174 0.000 1.012 484 I CA -0.715 60.518 61.300 -0.111 0.000 1.119 484 I CB 1.183 39.023 38.000 -0.266 0.000 1.261 484 I HN 0.458 nan 8.210 nan 0.000 0.448 485 V N 6.102 125.939 119.914 -0.128 0.000 2.250 485 V HA 0.423 4.543 4.120 0.000 0.000 0.268 485 V C -2.185 173.910 176.094 0.002 0.000 1.043 485 V CA -1.610 60.635 62.300 -0.092 0.000 0.814 485 V CB 1.083 32.817 31.823 -0.150 0.000 1.072 485 V HN 0.329 nan 8.190 nan 0.000 0.451 486 P HA -0.147 nan 4.420 nan 0.000 0.213 486 P C 1.936 179.248 177.300 0.020 0.000 1.170 486 P CA 2.790 65.860 63.100 -0.050 0.000 0.902 486 P CB 0.228 31.914 31.700 -0.024 0.000 0.789 487 A N -0.690 122.143 122.820 0.022 0.000 2.024 487 A HA -0.202 4.118 4.320 0.000 0.000 0.220 487 A C 2.089 179.696 177.584 0.038 0.000 1.164 487 A CA 2.533 54.584 52.037 0.024 0.000 0.643 487 A CB -1.923 17.087 19.000 0.016 0.000 0.806 487 A HN 0.385 nan 8.150 nan 0.000 0.451 488 T N -3.081 111.515 114.554 0.070 0.000 3.067 488 T HA 0.050 4.400 4.350 0.000 0.000 0.261 488 T C 1.551 176.338 174.700 0.144 0.000 1.110 488 T CA 0.919 63.084 62.100 0.109 0.000 1.113 488 T CB -0.378 68.574 68.868 0.140 0.000 0.917 488 T HN 0.098 nan 8.240 nan 0.000 0.499 489 V N 0.878 120.873 119.914 0.135 0.000 2.490 489 V HA -0.012 4.108 4.120 0.000 0.000 0.250 489 V C 1.581 177.667 176.094 -0.013 0.000 1.061 489 V CA 0.733 63.037 62.300 0.007 0.000 1.064 489 V CB -1.065 30.734 31.823 -0.040 0.000 0.670 489 V HN 0.498 nan 8.190 nan 0.000 0.461 490 M N 0.686 120.292 119.600 0.010 0.000 2.240 490 M HA 0.256 4.736 4.480 0.000 0.000 0.346 490 M C 1.025 177.327 176.300 0.003 0.000 1.236 490 M CA 0.832 56.135 55.300 0.006 0.000 0.986 490 M CB -0.498 32.107 32.600 0.008 0.000 1.786 490 M HN 0.514 nan 8.290 nan 0.000 0.457 491 A N 3.732 126.552 122.820 -0.000 0.000 2.799 491 A HA -0.238 4.082 4.320 0.000 0.000 0.274 491 A C 0.550 178.131 177.584 -0.006 0.000 1.393 491 A CA 1.636 53.673 52.037 -0.001 0.000 0.909 491 A CB -2.424 16.577 19.000 0.002 0.000 1.012 491 A HN 0.913 nan 8.150 nan 0.000 0.653 492 N N -0.364 118.326 118.700 -0.017 0.000 2.338 492 N HA 0.126 4.866 4.740 0.000 0.000 0.251 492 N C -0.592 174.891 175.510 -0.046 0.000 1.199 492 N CA 0.085 53.118 53.050 -0.028 0.000 0.879 492 N CB 0.632 39.103 38.487 -0.027 0.000 1.159 492 N HN 0.626 nan 8.380 nan 0.000 0.514 493 Q N 0.769 120.550 119.800 -0.032 0.000 2.263 493 Q HA 0.197 4.537 4.340 0.000 0.000 0.262 493 Q C -0.216 175.777 176.000 -0.012 0.000 0.984 493 Q CA -0.309 55.477 55.803 -0.029 0.000 0.813 493 Q CB 2.130 30.846 28.738 -0.037 0.000 1.299 493 Q HN 0.192 nan 8.270 nan 0.000 0.428 494 T N -1.780 112.769 114.554 -0.009 0.000 2.899 494 T HA 0.341 4.691 4.350 0.000 0.000 0.284 494 T C 1.218 175.921 174.700 0.005 0.000 1.004 494 T CA -0.324 61.775 62.100 -0.003 0.000 1.043 494 T CB 1.094 69.959 68.868 -0.005 0.000 1.013 494 T HN 0.330 nan 8.240 nan 0.000 0.518 495 S N 0.390 116.094 115.700 0.007 0.000 2.370 495 S HA -0.132 4.338 4.470 0.000 0.000 0.226 495 S C 1.993 176.605 174.600 0.021 0.000 1.033 495 S CA 0.932 59.139 58.200 0.012 0.000 1.011 495 S CB -0.481 62.724 63.200 0.008 0.000 0.852 495 S HN 0.796 nan 8.310 nan 0.000 0.457 496 E N 1.167 121.377 120.200 0.016 0.000 2.114 496 E HA -0.211 4.139 4.350 0.000 0.000 0.199 496 E C 1.992 178.612 176.600 0.034 0.000 1.008 496 E CA 1.318 57.731 56.400 0.021 0.000 0.810 496 E CB -0.173 29.531 29.700 0.007 0.000 0.739 496 E HN 0.618 nan 8.360 nan 0.000 0.456 497 E N -0.407 119.807 120.200 0.023 0.000 2.047 497 E HA -0.132 4.218 4.350 0.000 0.000 0.191 497 E C 2.266 178.900 176.600 0.057 0.000 0.987 497 E CA 1.243 57.659 56.400 0.027 0.000 0.799 497 E CB 0.074 29.775 29.700 0.002 0.000 0.752 497 E HN 0.064 nan 8.360 nan 0.000 0.449 498 V N 1.668 121.609 119.914 0.044 0.000 2.252 498 V HA -0.340 3.780 4.120 0.000 0.000 0.249 498 V C 2.409 178.564 176.094 0.102 0.000 1.056 498 V CA 2.036 64.370 62.300 0.057 0.000 1.022 498 V CB -1.032 30.813 31.823 0.036 0.000 0.641 498 V HN 0.341 nan 8.190 nan 0.000 0.445 499 A N 1.032 123.908 122.820 0.094 0.000 1.917 499 A HA -0.277 4.043 4.320 0.000 0.000 0.219 499 A C 2.575 180.316 177.584 0.263 0.000 1.182 499 A CA 2.912 55.024 52.037 0.126 0.000 0.633 499 A CB -0.984 18.064 19.000 0.081 0.000 0.819 499 A HN 0.755 nan 8.150 nan 0.000 0.448 500 S N 0.468 116.316 115.700 0.247 0.000 2.368 500 S HA 0.191 4.661 4.470 0.000 0.000 0.225 500 S C 1.292 176.172 174.600 0.465 0.000 1.030 500 S CA 0.642 59.032 58.200 0.316 0.000 0.999 500 S CB -1.174 62.085 63.200 0.098 0.000 0.844 500 S HN 1.334 nan 8.310 nan 0.000 0.459 501 A N 2.187 125.205 122.820 0.330 0.000 2.587 501 A HA 0.330 4.650 4.320 0.000 0.000 0.235 501 A C 0.464 178.230 177.584 0.304 0.000 1.044 501 A CA -0.136 52.076 52.037 0.292 0.000 0.754 501 A CB -0.497 18.595 19.000 0.152 0.000 0.968 501 A HN 0.606 nan 8.150 nan 0.000 0.509 502 L N 1.886 123.173 121.223 0.107 0.000 2.483 502 L HA 0.081 4.421 4.340 0.000 0.000 0.276 502 L C 1.954 178.872 176.870 0.080 0.000 1.213 502 L CA 0.218 55.026 54.840 -0.054 0.000 0.843 502 L CB 0.180 42.079 42.059 -0.266 0.000 1.107 502 L HN 0.953 nan 8.230 nan 0.000 0.487 503 A N 2.651 125.535 122.820 0.108 0.000 1.971 503 A HA -0.261 4.059 4.320 0.000 0.000 0.222 503 A C 1.813 179.425 177.584 0.046 0.000 1.182 503 A CA 2.199 54.282 52.037 0.077 0.000 0.649 503 A CB -0.682 18.353 19.000 0.058 0.000 0.818 503 A HN 0.941 nan 8.150 nan 0.000 0.458 504 N N 0.572 119.286 118.700 0.023 0.000 2.535 504 N HA -0.064 4.676 4.740 0.000 0.000 0.203 504 N C -0.958 174.577 175.510 0.042 0.000 1.301 504 N CA 0.394 53.461 53.050 0.029 0.000 0.859 504 N CB -0.339 38.150 38.487 0.003 0.000 1.055 504 N HN 0.458 nan 8.380 nan 0.000 0.457 505 D N -0.504 119.923 120.400 0.044 0.000 2.502 505 D HA 0.256 4.896 4.640 0.000 0.000 0.249 505 D C 0.850 177.163 176.300 0.021 0.000 1.092 505 D CA -0.291 53.729 54.000 0.034 0.000 0.839 505 D CB 2.145 42.959 40.800 0.024 0.000 1.264 505 D HN 0.109 nan 8.370 nan 0.000 0.511 506 A N 4.873 127.695 122.820 0.004 0.000 1.913 506 A HA -0.314 4.006 4.320 0.000 0.000 0.236 506 A C 2.186 179.740 177.584 -0.050 0.000 1.760 506 A CA 2.480 54.490 52.037 -0.046 0.000 0.740 506 A CB -1.030 17.941 19.000 -0.048 0.000 0.847 506 A HN 0.789 nan 8.150 nan 0.000 0.508 507 I N -0.119 120.422 120.570 -0.048 0.000 2.103 507 I HA -0.330 3.840 4.170 0.000 0.000 0.241 507 I C 2.421 178.547 176.117 0.015 0.000 1.036 507 I CA 2.942 64.230 61.300 -0.019 0.000 1.300 507 I CB -2.324 35.666 38.000 -0.017 0.000 1.010 507 I HN 0.574 nan 8.210 nan 0.000 0.406 508 V N -0.397 119.531 119.914 0.025 0.000 2.667 508 V HA -0.100 4.020 4.120 0.000 0.000 0.252 508 V C 2.651 178.749 176.094 0.008 0.000 1.065 508 V CA 1.149 63.462 62.300 0.023 0.000 1.083 508 V CB -1.085 30.753 31.823 0.026 0.000 0.692 508 V HN 0.431 nan 8.190 nan 0.000 0.468 509 L N 0.180 121.433 121.223 0.049 0.000 2.056 509 L HA -0.079 4.261 4.340 0.000 0.000 0.207 509 L C 2.677 179.566 176.870 0.032 0.000 1.078 509 L CA 1.475 56.368 54.840 0.089 0.000 0.749 509 L CB -0.799 41.458 42.059 0.330 0.000 0.901 509 L HN 0.243 nan 8.230 nan 0.000 0.433 510 V N -1.289 118.739 119.914 0.190 0.000 2.270 510 V HA -0.280 3.840 4.120 0.000 0.000 0.245 510 V C 2.666 178.833 176.094 0.120 0.000 1.043 510 V CA 2.014 64.464 62.300 0.250 0.000 1.014 510 V CB -0.612 31.289 31.823 0.131 0.000 0.645 510 V HN 0.407 nan 8.190 nan 0.000 0.447 511 S N 0.371 116.109 115.700 0.064 0.000 2.374 511 S HA -0.263 4.207 4.470 0.000 0.000 0.227 511 S C 1.901 176.507 174.600 0.010 0.000 1.037 511 S CA 2.165 60.402 58.200 0.062 0.000 1.024 511 S CB -0.538 62.688 63.200 0.045 0.000 0.861 511 S HN 0.674 nan 8.310 nan 0.000 0.456 512 N N 0.598 119.238 118.700 -0.101 0.000 2.104 512 N HA -0.090 4.650 4.740 0.000 0.000 0.190 512 N C 1.441 176.872 175.510 -0.131 0.000 1.024 512 N CA 1.842 54.797 53.050 -0.158 0.000 0.853 512 N CB -0.568 37.764 38.487 -0.257 0.000 1.008 512 N HN 0.654 nan 8.380 nan 0.000 0.424 513 H N -0.116 119.013 119.070 0.100 0.000 2.321 513 H HA 0.019 4.575 4.556 0.000 0.000 0.300 513 H C 1.906 177.298 175.328 0.106 0.000 1.087 513 H CA 0.929 57.024 56.048 0.078 0.000 1.319 513 H CB -0.157 29.655 29.762 0.083 0.000 1.379 513 H HN 0.083 nan 8.280 nan 0.000 0.501 514 L N 0.556 121.913 121.223 0.223 0.000 2.129 514 L HA -0.242 4.098 4.340 0.000 0.000 0.212 514 L C 1.764 178.796 176.870 0.269 0.000 1.087 514 L CA 1.227 56.226 54.840 0.266 0.000 0.757 514 L CB -0.339 41.904 42.059 0.308 0.000 0.896 514 L HN 0.356 nan 8.230 nan 0.000 0.434 515 N N -0.197 118.591 118.700 0.145 0.000 2.188 515 N HA -0.139 4.601 4.740 0.000 0.000 0.184 515 N C 1.670 177.229 175.510 0.082 0.000 1.018 515 N CA 0.939 54.037 53.050 0.079 0.000 0.858 515 N CB -0.016 38.488 38.487 0.029 0.000 0.989 515 N HN 0.291 nan 8.380 nan 0.000 0.426 516 K N 0.266 120.725 120.400 0.098 0.000 2.057 516 K HA -0.097 4.223 4.320 0.000 0.000 0.207 516 K C 1.802 178.462 176.600 0.100 0.000 1.049 516 K CA 0.731 57.071 56.287 0.089 0.000 0.931 516 K CB -0.288 32.268 32.500 0.093 0.000 0.714 516 K HN 0.094 nan 8.250 nan 0.000 0.440 517 L N 1.528 122.834 121.223 0.138 0.000 1.989 517 L HA -0.200 4.140 4.340 0.000 0.000 0.211 517 L C 2.342 179.320 176.870 0.180 0.000 1.071 517 L CA 1.980 56.911 54.840 0.152 0.000 0.749 517 L CB -0.723 41.445 42.059 0.182 0.000 0.890 517 L HN 0.170 nan 8.230 nan 0.000 0.431 518 A N -0.531 122.425 122.820 0.225 0.000 1.917 518 A HA -0.347 3.973 4.320 0.000 0.000 0.219 518 A C 2.188 179.810 177.584 0.064 0.000 1.182 518 A CA 2.299 54.418 52.037 0.136 0.000 0.633 518 A CB -1.234 17.758 19.000 -0.014 0.000 0.819 518 A HN 0.684 nan 8.150 nan 0.000 0.448 519 N N -0.546 118.186 118.700 0.052 0.000 2.069 519 N HA -0.150 4.590 4.740 0.000 0.000 0.191 519 N C 1.510 177.044 175.510 0.039 0.000 1.031 519 N CA 1.798 54.869 53.050 0.034 0.000 0.852 519 N CB -0.239 38.267 38.487 0.032 0.000 1.018 519 N HN 0.202 nan 8.380 nan 0.000 0.423 520 V N -0.116 119.830 119.914 0.053 0.000 2.261 520 V HA -0.229 3.891 4.120 0.000 0.000 0.246 520 V C 2.196 178.322 176.094 0.053 0.000 1.047 520 V CA 1.641 63.971 62.300 0.050 0.000 1.015 520 V CB -0.567 31.289 31.823 0.056 0.000 0.642 520 V HN 0.220 nan 8.190 nan 0.000 0.446 521 V N 1.019 120.975 119.914 0.071 0.000 2.287 521 V HA -0.176 3.944 4.120 0.000 0.000 0.248 521 V C 2.635 178.763 176.094 0.057 0.000 1.053 521 V CA 2.209 64.555 62.300 0.077 0.000 1.027 521 V CB -1.710 30.182 31.823 0.114 0.000 0.646 521 V HN 0.579 nan 8.190 nan 0.000 0.447 522 G N -0.781 108.045 108.800 0.044 0.000 2.408 522 G HA2 -0.207 3.753 3.960 0.000 0.000 0.217 522 G HA3 -0.207 3.753 3.960 0.000 0.000 0.217 522 G C 1.344 176.258 174.900 0.024 0.000 1.150 522 G CA 0.874 45.991 45.100 0.028 0.000 0.776 522 G HN 0.497 nan 8.290 nan 0.000 0.542 523 D N 0.329 120.743 120.400 0.024 0.000 2.194 523 D HA 0.081 4.721 4.640 0.000 0.000 0.204 523 D C 2.611 178.924 176.300 0.022 0.000 0.964 523 D CA 1.038 55.050 54.000 0.020 0.000 0.846 523 D CB 0.270 41.081 40.800 0.018 0.000 0.962 523 D HN 0.346 nan 8.370 nan 0.000 0.490 524 A N -0.043 122.794 122.820 0.028 0.000 1.963 524 A HA 0.170 4.490 4.320 0.000 0.000 0.207 524 A C 0.933 178.537 177.584 0.033 0.000 1.243 524 A CA 0.107 52.161 52.037 0.029 0.000 0.728 524 A CB 0.409 19.427 19.000 0.029 0.000 0.895 524 A HN 0.018 nan 8.150 nan 0.000 0.467 525 I N 1.282 121.877 120.570 0.041 0.000 2.392 525 I HA 0.312 4.482 4.170 0.000 0.000 0.295 525 I C -2.200 173.943 176.117 0.044 0.000 0.985 525 I CA -2.287 59.041 61.300 0.047 0.000 1.221 525 I CB 1.778 39.814 38.000 0.060 0.000 1.366 525 I HN 0.041 nan 8.210 nan 0.000 0.467 526 P HA 0.046 nan 4.420 nan 0.000 0.225 526 P C 0.363 177.689 177.300 0.044 0.000 1.813 526 P CA 0.007 63.129 63.100 0.036 0.000 1.013 526 P CB -0.064 31.653 31.700 0.028 0.000 1.961 527 V N -1.131 118.812 119.914 0.047 0.000 3.252 527 V HA 0.479 4.599 4.120 0.000 0.000 0.350 527 V C 0.974 177.089 176.094 0.035 0.000 1.329 527 V CA -0.225 62.105 62.300 0.051 0.000 1.258 527 V CB -0.727 31.137 31.823 0.067 0.000 1.208 527 V HN 0.235 nan 8.190 nan 0.000 0.462 528 A N 0.669 123.505 122.820 0.027 0.000 2.645 528 A HA 0.429 4.749 4.320 0.000 0.000 0.245 528 A C 1.362 178.956 177.584 0.016 0.000 1.758 528 A CA 0.404 52.452 52.037 0.018 0.000 0.850 528 A CB -0.627 18.382 19.000 0.015 0.000 1.656 528 A HN 0.501 nan 8.150 nan 0.000 0.641 529 S N 1.223 116.930 115.700 0.011 0.000 3.597 529 S HA 0.143 4.613 4.470 0.000 0.000 0.208 529 S C 0.464 175.072 174.600 0.012 0.000 1.091 529 S CA 0.937 59.143 58.200 0.010 0.000 1.103 529 S CB -1.108 62.095 63.200 0.006 0.000 1.369 529 S HN 0.725 nan 8.310 nan 0.000 0.447 530 R N -2.370 118.141 120.500 0.018 0.000 2.596 530 R HA -0.111 4.229 4.340 0.000 0.000 0.496 530 R C -0.520 175.794 176.300 0.023 0.000 0.691 530 R CA 0.445 56.558 56.100 0.022 0.000 1.213 530 R CB -2.968 27.342 30.300 0.017 0.000 2.014 530 R HN 0.434 nan 8.270 nan 0.000 0.392 531 T N -0.526 114.042 114.554 0.023 0.000 2.978 531 T HA 0.248 4.598 4.350 0.000 0.000 0.278 531 T C -0.096 174.625 174.700 0.034 0.000 0.945 531 T CA -0.228 61.885 62.100 0.021 0.000 1.070 531 T CB 1.165 70.043 68.868 0.016 0.000 0.948 531 T HN 0.176 nan 8.240 nan 0.000 0.617 532 D N 2.878 123.295 120.400 0.027 0.000 2.344 532 D HA 0.235 4.875 4.640 0.000 0.000 0.253 532 D C -0.540 175.756 176.300 -0.007 0.000 1.255 532 D CA -0.137 53.888 54.000 0.041 0.000 0.894 532 D CB 0.667 41.477 40.800 0.016 0.000 1.067 532 D HN 0.669 nan 8.370 nan 0.000 0.492 533 D N 0.802 121.230 120.400 0.046 0.000 2.256 533 D HA 0.152 4.792 4.640 0.000 0.000 0.246 533 D C 1.278 177.632 176.300 0.090 0.000 1.042 533 D CA -0.516 53.502 54.000 0.030 0.000 0.841 533 D CB 1.318 42.139 40.800 0.034 0.000 1.223 533 D HN 0.178 nan 8.370 nan 0.000 0.470 534 S N 2.908 118.612 115.700 0.005 0.000 2.443 534 S HA -0.369 4.101 4.470 0.000 0.000 0.246 534 S C 2.109 176.845 174.600 0.227 0.000 1.058 534 S CA 1.382 59.646 58.200 0.106 0.000 1.028 534 S CB -0.741 62.474 63.200 0.026 0.000 0.821 534 S HN 0.584 nan 8.310 nan 0.000 0.484 535 A N 2.159 125.071 122.820 0.153 0.000 1.971 535 A HA -0.168 4.152 4.320 0.000 0.000 0.222 535 A C 2.533 180.226 177.584 0.182 0.000 1.182 535 A CA 2.546 54.671 52.037 0.146 0.000 0.649 535 A CB -2.025 17.036 19.000 0.102 0.000 0.818 535 A HN 1.049 nan 8.150 nan 0.000 0.458 536 T N -1.479 113.231 114.554 0.260 0.000 3.163 536 T HA -0.002 4.348 4.350 0.000 0.000 0.260 536 T C 1.499 176.290 174.700 0.152 0.000 1.156 536 T CA 1.197 63.440 62.100 0.238 0.000 1.072 536 T CB -0.730 68.326 68.868 0.315 0.000 0.937 536 T HN 0.592 nan 8.240 nan 0.000 0.528 537 S N 1.551 117.410 115.700 0.264 0.000 2.442 537 S HA 0.081 4.551 4.470 0.000 0.000 0.236 537 S C 2.399 176.937 174.600 -0.102 0.000 1.007 537 S CA 0.527 58.782 58.200 0.092 0.000 0.965 537 S CB -0.691 62.713 63.200 0.340 0.000 0.773 537 S HN 0.739 nan 8.310 nan 0.000 0.504 538 A N 3.364 126.164 122.820 -0.035 0.000 1.865 538 A HA -0.075 4.245 4.320 0.000 0.000 0.217 538 A C 2.283 179.807 177.584 -0.101 0.000 1.191 538 A CA 1.728 53.735 52.037 -0.049 0.000 0.623 538 A CB -1.006 17.985 19.000 -0.016 0.000 0.826 538 A HN 0.733 nan 8.150 nan 0.000 0.444 539 I N -1.885 118.611 120.570 -0.124 0.000 2.394 539 I HA -0.128 4.042 4.170 0.000 0.000 0.251 539 I C 1.907 177.885 176.117 -0.232 0.000 1.136 539 I CA 1.629 62.837 61.300 -0.153 0.000 1.425 539 I CB -0.808 37.121 38.000 -0.117 0.000 1.079 539 I HN 0.085 nan 8.210 nan 0.000 0.425 540 V N 1.478 121.159 119.914 -0.388 0.000 2.453 540 V HA -0.172 3.948 4.120 0.000 0.000 0.247 540 V C 2.722 178.603 176.094 -0.355 0.000 1.048 540 V CA 2.065 64.045 62.300 -0.534 0.000 1.049 540 V CB -0.808 30.314 31.823 -1.169 0.000 0.672 540 V HN 0.444 nan 8.190 nan 0.000 0.457 541 S N -0.088 115.462 115.700 -0.249 0.000 2.399 541 S HA -0.191 4.279 4.470 0.000 0.000 0.231 541 S C 2.130 176.680 174.600 -0.084 0.000 1.022 541 S CA 1.376 59.508 58.200 -0.114 0.000 0.983 541 S CB -0.326 62.837 63.200 -0.061 0.000 0.803 541 S HN 0.413 nan 8.310 nan 0.000 0.480 542 R N 1.439 121.882 120.500 -0.095 0.000 2.075 542 R HA 0.160 4.500 4.340 0.000 0.000 0.232 542 R C 2.062 178.319 176.300 -0.072 0.000 1.126 542 R CA 1.102 57.160 56.100 -0.071 0.000 0.963 542 R CB -0.902 29.356 30.300 -0.070 0.000 0.858 542 R HN 0.379 nan 8.270 nan 0.000 0.435 543 L N -0.473 120.686 121.223 -0.107 0.000 2.046 543 L HA -0.164 4.176 4.340 0.000 0.000 0.208 543 L C 2.326 179.155 176.870 -0.067 0.000 1.077 543 L CA 1.505 56.288 54.840 -0.096 0.000 0.747 543 L CB -0.533 41.433 42.059 -0.154 0.000 0.896 543 L HN 0.294 nan 8.230 nan 0.000 0.432 544 A N -0.574 122.176 122.820 -0.116 0.000 1.933 544 A HA -0.154 4.166 4.320 0.000 0.000 0.218 544 A C 2.189 179.761 177.584 -0.020 0.000 1.175 544 A CA 1.948 53.928 52.037 -0.094 0.000 0.628 544 A CB -0.710 18.198 19.000 -0.154 0.000 0.814 544 A HN 0.265 nan 8.150 nan 0.000 0.444 545 V N -0.472 119.430 119.914 -0.021 0.000 2.488 545 V HA -0.236 3.884 4.120 0.000 0.000 0.246 545 V C 2.410 178.492 176.094 -0.020 0.000 1.046 545 V CA 1.749 64.041 62.300 -0.013 0.000 1.053 545 V CB -1.068 30.750 31.823 -0.007 0.000 0.679 545 V HN 0.598 nan 8.190 nan 0.000 0.458 546 Q N -0.185 119.607 119.800 -0.013 0.000 2.181 546 Q HA -0.236 4.104 4.340 0.000 0.000 0.205 546 Q C 1.943 177.941 176.000 -0.003 0.000 0.980 546 Q CA 1.597 57.396 55.803 -0.007 0.000 0.862 546 Q CB -0.295 28.442 28.738 -0.003 0.000 0.905 546 Q HN 0.686 nan 8.270 nan 0.000 0.429 547 H N 0.870 119.911 119.070 -0.048 0.000 2.611 547 H HA 0.091 4.647 4.556 0.000 0.000 0.283 547 H C -0.160 175.151 175.328 -0.029 0.000 1.075 547 H CA 0.426 56.448 56.048 -0.043 0.000 1.184 547 H CB -0.263 29.463 29.762 -0.059 0.000 1.294 547 H HN -0.161 nan 8.280 nan 0.000 0.619 548 K N 0.866 121.117 120.400 -0.248 0.000 2.502 548 K HA 0.123 4.443 4.320 0.000 0.000 0.244 548 K C -0.737 175.748 176.600 -0.193 0.000 1.249 548 K CA -0.249 55.904 56.287 -0.222 0.000 1.193 548 K CB -0.885 31.551 32.500 -0.107 0.000 1.674 548 K HN 0.157 nan 8.250 nan 0.000 0.302 549 L N 1.624 122.669 121.223 -0.296 0.000 2.384 549 L HA 0.170 4.510 4.340 0.000 0.000 0.258 549 L C 0.119 176.916 176.870 -0.121 0.000 1.266 549 L CA 0.241 54.974 54.840 -0.177 0.000 1.162 549 L CB 0.164 42.135 42.059 -0.146 0.000 1.375 549 L HN 0.258 nan 8.230 nan 0.000 0.420 550 S N 1.050 116.699 115.700 -0.085 0.000 2.489 550 S HA 0.673 5.144 4.470 0.000 0.000 0.291 550 S C 0.044 174.622 174.600 -0.036 0.000 1.151 550 S CA -0.588 57.578 58.200 -0.056 0.000 1.082 550 S CB 1.162 64.336 63.200 -0.044 0.000 1.019 550 S HN 0.545 nan 8.310 nan 0.000 0.492 551 Q N 1.322 121.107 119.800 -0.025 0.000 3.182 551 Q HA 0.556 4.896 4.340 0.000 0.000 0.212 551 Q C -0.564 175.428 176.000 -0.012 0.000 1.099 551 Q CA -0.680 55.113 55.803 -0.016 0.000 0.680 551 Q CB 0.029 28.760 28.738 -0.011 0.000 3.554 551 Q HN 0.619 nan 8.270 nan 0.000 0.361 552 V N -1.160 118.750 119.914 -0.008 0.000 2.439 552 V HA 0.845 4.965 4.120 0.000 0.000 0.282 552 V C 0.602 176.695 176.094 -0.003 0.000 1.039 552 V CA 0.418 62.715 62.300 -0.005 0.000 0.913 552 V CB 0.173 31.994 31.823 -0.004 0.000 0.983 552 V HN 0.916 nan 8.190 nan 0.000 0.460 553 G N 3.377 112.175 108.800 -0.002 0.000 2.652 553 G HA2 -0.293 3.667 3.960 0.000 0.000 0.278 553 G HA3 -0.293 3.667 3.960 0.000 0.000 0.278 553 G C 0.368 175.269 174.900 0.001 0.000 1.263 553 G CA 0.560 45.660 45.100 -0.000 0.000 0.966 553 G HN 1.348 nan 8.290 nan 0.000 0.544 554 Q N 2.300 122.101 119.800 0.002 0.000 2.452 554 Q HA 0.547 4.887 4.340 0.000 0.000 0.230 554 Q C 0.782 176.783 176.000 0.002 0.000 1.180 554 Q CA 0.478 56.283 55.803 0.004 0.000 0.914 554 Q CB -0.042 28.700 28.738 0.007 0.000 1.408 554 Q HN 1.131 nan 8.270 nan 0.000 0.520 555 A N 3.003 125.822 122.820 -0.002 0.000 2.346 555 A HA 0.090 4.410 4.320 0.000 0.000 0.255 555 A C 0.306 177.890 177.584 -0.000 0.000 1.113 555 A CA -0.042 51.989 52.037 -0.009 0.000 0.798 555 A CB 0.316 19.303 19.000 -0.022 0.000 1.073 555 A HN 0.770 nan 8.150 nan 0.000 0.502 556 S N 1.380 117.076 115.700 -0.005 0.000 2.887 556 S HA 0.137 4.607 4.470 0.000 0.000 0.337 556 S C -1.821 172.809 174.600 0.051 0.000 1.209 556 S CA -0.502 57.714 58.200 0.027 0.000 1.186 556 S CB -0.319 62.899 63.200 0.031 0.000 0.925 556 S HN 0.474 nan 8.310 nan 0.000 0.522 557 P HA 0.200 nan 4.420 nan 0.000 0.225 557 P C -0.901 176.441 177.300 0.070 0.000 1.830 557 P CA -0.501 62.632 63.100 0.055 0.000 1.051 557 P CB -0.231 31.491 31.700 0.037 0.000 1.929 558 T N 2.897 117.515 114.554 0.106 0.000 2.794 558 T HA 0.278 4.628 4.350 0.000 0.000 0.304 558 T C -2.264 172.487 174.700 0.086 0.000 0.973 558 T CA -1.594 60.574 62.100 0.114 0.000 0.972 558 T CB -0.209 68.800 68.868 0.235 0.000 0.952 558 T HN 0.158 nan 8.240 nan 0.000 0.509 559 P HA 0.132 nan 4.420 nan 0.000 0.258 559 P C -2.292 175.062 177.300 0.090 0.000 1.187 559 P CA -0.996 62.146 63.100 0.071 0.000 0.767 559 P CB -0.571 31.163 31.700 0.056 0.000 0.770 560 P HA -0.174 nan 4.420 nan 0.000 0.265 560 P C 0.256 177.635 177.300 0.132 0.000 1.151 560 P CA 0.678 63.900 63.100 0.204 0.000 0.755 560 P CB 0.362 32.279 31.700 0.361 0.000 0.756 561 D N 1.393 121.692 120.400 -0.167 0.000 2.347 561 D HA -0.233 4.407 4.640 0.000 0.000 0.208 561 D C 1.252 177.289 176.300 -0.438 0.000 0.994 561 D CA 1.603 55.335 54.000 -0.447 0.000 0.924 561 D CB -0.603 39.849 40.800 -0.581 0.000 0.892 561 D HN 0.554 nan 8.370 nan 0.000 0.471 562 Y N -0.106 120.306 120.300 0.187 0.000 2.242 562 Y HA -0.029 4.521 4.550 0.000 0.000 0.291 562 Y C -0.399 175.711 175.900 0.350 0.000 1.137 562 Y CA 0.510 58.816 58.100 0.344 0.000 1.181 562 Y CB -1.677 36.948 38.460 0.276 0.000 0.989 562 Y HN 0.230 nan 8.280 nan 0.000 0.527 563 P HA -0.048 nan 4.420 nan 0.000 0.212 563 P C 1.657 179.053 177.300 0.160 0.000 1.171 563 P CA 1.121 64.333 63.100 0.186 0.000 0.892 563 P CB -0.022 31.745 31.700 0.112 0.000 0.769 564 L N -0.896 120.373 121.223 0.078 0.000 1.980 564 L HA -0.247 4.093 4.340 0.000 0.000 0.232 564 L C 2.686 179.548 176.870 -0.013 0.000 1.092 564 L CA 1.761 56.609 54.840 0.013 0.000 0.808 564 L CB -1.677 40.363 42.059 -0.031 0.000 0.908 564 L HN -0.093 nan 8.230 nan 0.000 0.442 565 L N -1.740 119.439 121.223 -0.073 0.000 2.141 565 L HA -0.194 4.146 4.340 0.000 0.000 0.209 565 L C 2.273 179.073 176.870 -0.117 0.000 1.094 565 L CA 1.414 56.174 54.840 -0.132 0.000 0.763 565 L CB -0.769 41.162 42.059 -0.213 0.000 0.908 565 L HN 0.377 nan 8.230 nan 0.000 0.437 566 W N 1.206 122.461 121.300 -0.075 0.000 2.335 566 W HA -0.207 4.453 4.660 0.000 0.000 0.311 566 W C 2.698 179.208 176.519 -0.014 0.000 1.213 566 W CA 1.709 59.037 57.345 -0.028 0.000 1.274 566 W CB -0.378 29.084 29.460 0.003 0.000 1.148 566 W HN 0.152 nan 8.180 nan 0.000 0.498 567 R N -0.462 120.175 120.500 0.229 0.000 2.075 567 R HA -0.110 4.230 4.340 0.000 0.000 0.232 567 R C 2.276 178.620 176.300 0.073 0.000 1.126 567 R CA 1.541 57.730 56.100 0.148 0.000 0.963 567 R CB -0.549 29.813 30.300 0.103 0.000 0.858 567 R HN 0.090 nan 8.270 nan 0.000 0.435 568 R N 0.710 121.226 120.500 0.026 0.000 2.091 568 R HA -0.109 4.231 4.340 0.000 0.000 0.238 568 R C 2.304 178.597 176.300 -0.012 0.000 1.136 568 R CA 1.633 57.729 56.100 -0.007 0.000 0.959 568 R CB -0.448 29.828 30.300 -0.041 0.000 0.856 568 R HN 0.219 nan 8.270 nan 0.000 0.437 569 A N 1.163 123.961 122.820 -0.037 0.000 1.929 569 A HA -0.149 4.170 4.320 0.000 0.000 0.216 569 A C 2.052 179.636 177.584 0.001 0.000 1.176 569 A CA 1.357 53.358 52.037 -0.060 0.000 0.628 569 A CB -0.252 18.643 19.000 -0.175 0.000 0.816 569 A HN 0.152 nan 8.150 nan 0.000 0.444 570 K N 0.243 120.681 120.400 0.062 0.000 2.009 570 K HA -0.142 4.178 4.320 0.000 0.000 0.210 570 K C 2.095 178.736 176.600 0.068 0.000 1.049 570 K CA 1.771 58.115 56.287 0.096 0.000 0.929 570 K CB -0.323 32.261 32.500 0.141 0.000 0.714 570 K HN 0.421 nan 8.250 nan 0.000 0.440 571 R N -0.298 120.235 120.500 0.054 0.000 2.133 571 R HA -0.213 4.127 4.340 0.000 0.000 0.245 571 R C 2.366 178.690 176.300 0.040 0.000 1.137 571 R CA 1.937 58.061 56.100 0.040 0.000 0.947 571 R CB -0.705 29.611 30.300 0.027 0.000 0.865 571 R HN 0.376 nan 8.270 nan 0.000 0.437 572 A N 0.652 123.495 122.820 0.038 0.000 1.969 572 A HA -0.028 4.292 4.320 0.000 0.000 0.218 572 A C 2.338 179.980 177.584 0.098 0.000 1.169 572 A CA 1.399 53.468 52.037 0.053 0.000 0.635 572 A CB -0.598 18.421 19.000 0.031 0.000 0.810 572 A HN 0.436 nan 8.150 nan 0.000 0.445 573 A N -0.558 122.319 122.820 0.095 0.000 1.892 573 A HA -0.190 4.130 4.320 0.000 0.000 0.218 573 A C 2.480 180.156 177.584 0.153 0.000 1.188 573 A CA 2.334 54.463 52.037 0.153 0.000 0.631 573 A CB -1.115 17.955 19.000 0.116 0.000 0.822 573 A HN 0.515 nan 8.150 nan 0.000 0.447 574 S N -1.350 114.401 115.700 0.085 0.000 2.353 574 S HA -0.215 4.255 4.470 0.000 0.000 0.222 574 S C 2.041 176.646 174.600 0.008 0.000 1.035 574 S CA 2.129 60.353 58.200 0.040 0.000 1.025 574 S CB -0.386 62.835 63.200 0.035 0.000 0.902 574 S HN 0.401 nan 8.310 nan 0.000 0.440 575 M N 0.606 120.222 119.600 0.026 0.000 2.082 575 M HA -0.025 4.455 4.480 0.000 0.000 0.258 575 M C 1.741 178.034 176.300 -0.012 0.000 1.069 575 M CA 1.402 56.710 55.300 0.012 0.000 1.102 575 M CB -1.162 31.461 32.600 0.038 0.000 1.336 575 M HN 0.485 nan 8.290 nan 0.000 0.404 576 F N 0.241 120.195 119.950 0.007 0.000 2.091 576 F HA -0.214 4.313 4.527 0.000 0.000 0.299 576 F C 2.087 177.894 175.800 0.012 0.000 1.103 576 F CA 1.543 59.548 58.000 0.009 0.000 1.228 576 F CB -0.735 38.272 39.000 0.010 0.000 0.984 576 F HN -0.043 nan 8.300 nan 0.000 0.477 577 V N 0.534 120.139 119.914 -0.516 0.000 2.255 577 V HA -0.334 3.786 4.120 0.000 0.000 0.247 577 V C 2.683 178.595 176.094 -0.303 0.000 1.051 577 V CA 2.194 64.247 62.300 -0.411 0.000 1.018 577 V CB -1.513 30.233 31.823 -0.129 0.000 0.641 577 V HN 0.573 nan 8.190 nan 0.000 0.445 578 S N -0.198 115.386 115.700 -0.193 0.000 2.400 578 S HA -0.150 4.320 4.470 0.000 0.000 0.232 578 S C 1.032 175.550 174.600 -0.137 0.000 1.025 578 S CA 1.494 59.614 58.200 -0.134 0.000 0.993 578 S CB -0.290 62.863 63.200 -0.078 0.000 0.808 578 S HN 0.617 nan 8.310 nan 0.000 0.478 579 N N 0.605 119.194 118.700 -0.184 0.000 2.629 579 N HA 0.342 5.082 4.740 0.000 0.000 0.277 579 N C -2.907 172.470 175.510 -0.222 0.000 1.188 579 N CA -1.641 51.312 53.050 -0.162 0.000 0.835 579 N CB 1.782 40.221 38.487 -0.080 0.000 1.420 579 N HN -0.178 nan 8.380 nan 0.000 0.542 580 P HA -0.161 nan 4.420 nan 0.000 0.217 580 P C 1.403 178.763 177.300 0.101 0.000 1.148 580 P CA 1.489 64.471 63.100 -0.197 0.000 0.828 580 P CB 0.262 31.907 31.700 -0.093 0.000 0.783 581 S N -0.555 115.169 115.700 0.040 0.000 2.419 581 S HA -0.181 4.289 4.470 0.000 0.000 0.235 581 S C 1.884 176.531 174.600 0.078 0.000 1.019 581 S CA 1.121 59.359 58.200 0.063 0.000 0.982 581 S CB -1.812 61.406 63.200 0.029 0.000 0.789 581 S HN 0.101 nan 8.310 nan 0.000 0.490 582 L N 1.306 122.574 121.223 0.075 0.000 2.197 582 L HA -0.183 4.157 4.340 0.000 0.000 0.215 582 L C 3.055 179.993 176.870 0.113 0.000 1.095 582 L CA 1.126 56.016 54.840 0.084 0.000 0.764 582 L CB -0.894 41.210 42.059 0.075 0.000 0.897 582 L HN 0.511 nan 8.230 nan 0.000 0.436 583 A N -0.125 122.803 122.820 0.180 0.000 2.019 583 A HA -0.120 4.200 4.320 0.000 0.000 0.219 583 A C 2.133 179.757 177.584 0.067 0.000 1.164 583 A CA 1.454 53.572 52.037 0.134 0.000 0.644 583 A CB -0.438 18.651 19.000 0.148 0.000 0.805 583 A HN 0.450 nan 8.150 nan 0.000 0.449 584 L N -1.142 120.121 121.223 0.067 0.000 2.554 584 L HA 0.088 4.428 4.340 0.000 0.000 0.225 584 L C 0.551 177.433 176.870 0.020 0.000 1.104 584 L CA -0.014 54.845 54.840 0.033 0.000 0.866 584 L CB -0.015 42.061 42.059 0.028 0.000 1.047 584 L HN 0.329 nan 8.230 nan 0.000 0.468 585 Q N 0.856 120.674 119.800 0.030 0.000 2.314 585 Q HA 0.221 4.561 4.340 0.000 0.000 0.257 585 Q C -0.207 175.803 176.000 0.016 0.000 0.975 585 Q CA -0.420 55.395 55.803 0.020 0.000 0.933 585 Q CB 2.197 30.947 28.738 0.021 0.000 1.195 585 Q HN -0.066 nan 8.270 nan 0.000 0.426 586 V N 3.290 123.208 119.914 0.007 0.000 2.832 586 V HA -0.076 4.044 4.120 0.000 0.000 0.299 586 V C 1.128 177.226 176.094 0.006 0.000 1.201 586 V CA 2.333 64.636 62.300 0.004 0.000 1.325 586 V CB -0.013 31.809 31.823 -0.001 0.000 0.871 586 V HN 1.085 nan 8.190 nan 0.000 0.509 587 G N 5.519 114.322 108.800 0.005 0.000 2.248 587 G HA2 -0.176 3.784 3.960 0.000 0.000 0.263 587 G HA3 -0.176 3.784 3.960 0.000 0.000 0.263 587 G C -0.310 174.594 174.900 0.007 0.000 1.082 587 G CA 0.029 45.132 45.100 0.005 0.000 0.863 587 G HN 0.651 nan 8.290 nan 0.000 0.495 588 I N 0.114 120.690 120.570 0.011 0.000 2.321 588 I HA 0.225 4.395 4.170 0.000 0.000 0.291 588 I C -0.382 175.741 176.117 0.010 0.000 0.998 588 I CA -2.274 59.036 61.300 0.016 0.000 1.227 588 I CB 1.123 39.141 38.000 0.029 0.000 1.368 588 I HN -0.119 nan 8.210 nan 0.000 0.466 589 P HA -0.245 nan 4.420 nan 0.000 0.212 589 P C 1.510 178.807 177.300 -0.005 0.000 1.128 589 P CA 1.956 65.056 63.100 -0.001 0.000 0.961 589 P CB 0.206 31.904 31.700 -0.004 0.000 0.782 590 V N -5.096 114.814 119.914 -0.008 0.000 3.523 590 V HA 0.130 4.250 4.120 0.000 0.000 0.255 590 V C 2.080 178.164 176.094 -0.017 0.000 1.226 590 V CA 0.559 62.849 62.300 -0.017 0.000 1.092 590 V CB -1.272 30.532 31.823 -0.031 0.000 0.817 590 V HN -0.029 nan 8.190 nan 0.000 0.458 591 L N 2.078 123.298 121.223 -0.006 0.000 2.201 591 L HA -0.087 4.253 4.340 0.000 0.000 0.212 591 L C 2.935 179.798 176.870 -0.012 0.000 1.105 591 L CA 1.889 56.723 54.840 -0.010 0.000 0.775 591 L CB -1.199 40.870 42.059 0.017 0.000 0.913 591 L HN 0.589 nan 8.230 nan 0.000 0.440 592 T N -3.105 111.447 114.554 -0.002 0.000 2.795 592 T HA -0.305 4.045 4.350 0.000 0.000 0.266 592 T C 1.264 175.958 174.700 -0.009 0.000 1.056 592 T CA 0.999 63.097 62.100 -0.003 0.000 1.141 592 T CB -0.370 68.498 68.868 -0.000 0.000 0.840 592 T HN 0.167 nan 8.240 nan 0.000 0.493 593 Q N 2.166 121.956 119.800 -0.016 0.000 2.423 593 Q HA 0.263 4.603 4.340 0.000 0.000 0.235 593 Q C 1.425 177.406 176.000 -0.032 0.000 1.100 593 Q CA 0.197 55.987 55.803 -0.021 0.000 0.908 593 Q CB 1.084 29.810 28.738 -0.020 0.000 1.312 593 Q HN 0.659 nan 8.270 nan 0.000 0.497 594 S N 1.648 117.332 115.700 -0.025 0.000 2.420 594 S HA -0.196 4.274 4.470 0.000 0.000 0.237 594 S C 1.688 176.266 174.600 -0.036 0.000 1.023 594 S CA 1.262 59.444 58.200 -0.030 0.000 0.991 594 S CB -0.322 62.870 63.200 -0.014 0.000 0.792 594 S HN 0.699 nan 8.310 nan 0.000 0.488 595 G N 2.081 110.862 108.800 -0.031 0.000 2.491 595 G HA2 -0.233 3.727 3.960 0.000 0.000 0.218 595 G HA3 -0.233 3.727 3.960 0.000 0.000 0.218 595 G C 1.501 176.373 174.900 -0.047 0.000 1.180 595 G CA 1.294 46.374 45.100 -0.033 0.000 0.774 595 G HN 0.581 nan 8.290 nan 0.000 0.562 596 M N -0.545 119.022 119.600 -0.056 0.000 2.279 596 M HA 0.052 4.532 4.480 0.000 0.000 0.264 596 M C 2.409 178.651 176.300 -0.097 0.000 1.062 596 M CA 0.718 55.974 55.300 -0.073 0.000 1.099 596 M CB -0.203 32.353 32.600 -0.073 0.000 1.394 596 M HN 0.215 nan 8.290 nan 0.000 0.426 597 L N -0.343 120.819 121.223 -0.103 0.000 2.162 597 L HA -0.015 4.325 4.340 0.000 0.000 0.205 597 L C 2.468 179.273 176.870 -0.107 0.000 1.086 597 L CA 1.458 56.208 54.840 -0.149 0.000 0.778 597 L CB -0.350 41.611 42.059 -0.164 0.000 0.928 597 L HN 0.131 nan 8.230 nan 0.000 0.446 598 S N -0.052 115.609 115.700 -0.065 0.000 2.370 598 S HA -0.231 4.239 4.470 0.000 0.000 0.226 598 S C 2.145 176.721 174.600 -0.039 0.000 1.033 598 S CA 1.194 59.370 58.200 -0.040 0.000 1.011 598 S CB -0.734 62.451 63.200 -0.025 0.000 0.852 598 S HN 0.575 nan 8.310 nan 0.000 0.457 599 A N 1.359 124.152 122.820 -0.046 0.000 1.940 599 A HA -0.045 4.275 4.320 0.000 0.000 0.219 599 A C 2.149 179.708 177.584 -0.041 0.000 1.176 599 A CA 1.305 53.317 52.037 -0.041 0.000 0.631 599 A CB -0.720 18.251 19.000 -0.049 0.000 0.814 599 A HN 0.464 nan 8.150 nan 0.000 0.446 600 L N -0.840 120.346 121.223 -0.062 0.000 2.005 600 L HA -0.143 4.197 4.340 0.000 0.000 0.207 600 L C 2.739 179.587 176.870 -0.037 0.000 1.072 600 L CA 2.063 56.869 54.840 -0.057 0.000 0.744 600 L CB -0.620 41.375 42.059 -0.107 0.000 0.895 600 L HN 0.424 nan 8.230 nan 0.000 0.433 601 T N -0.261 114.262 114.554 -0.051 0.000 2.597 601 T HA -0.254 4.096 4.350 0.000 0.000 0.267 601 T C 2.000 176.696 174.700 -0.006 0.000 1.053 601 T CA 2.117 64.202 62.100 -0.025 0.000 1.165 601 T CB -0.551 68.299 68.868 -0.029 0.000 0.863 601 T HN 0.653 nan 8.240 nan 0.000 0.427 602 S N 1.560 117.255 115.700 -0.008 0.000 2.343 602 S HA -0.049 4.421 4.470 0.000 0.000 0.219 602 S C 2.456 177.058 174.600 0.004 0.000 1.033 602 S CA 1.347 59.546 58.200 -0.001 0.000 1.014 602 S CB -1.527 61.671 63.200 -0.003 0.000 0.915 602 S HN 0.572 nan 8.310 nan 0.000 0.435 603 G N 1.571 110.372 108.800 0.002 0.000 2.606 603 G HA2 -0.279 3.681 3.960 0.000 0.000 0.221 603 G HA3 -0.279 3.681 3.960 0.000 0.000 0.221 603 G C 1.510 176.423 174.900 0.022 0.000 1.152 603 G CA 1.265 46.371 45.100 0.011 0.000 0.765 603 G HN 0.509 nan 8.290 nan 0.000 0.595 604 V N 1.392 121.319 119.914 0.023 0.000 2.324 604 V HA -0.097 4.023 4.120 0.000 0.000 0.250 604 V C 2.989 179.100 176.094 0.028 0.000 1.060 604 V CA 2.803 65.122 62.300 0.032 0.000 1.042 604 V CB -0.874 30.971 31.823 0.038 0.000 0.650 604 V HN 0.455 nan 8.190 nan 0.000 0.450 605 G N -0.704 108.109 108.800 0.021 0.000 2.421 605 G HA2 -0.314 3.646 3.960 0.000 0.000 0.216 605 G HA3 -0.314 3.646 3.960 0.000 0.000 0.216 605 G C 1.723 176.634 174.900 0.017 0.000 1.171 605 G CA 1.757 46.868 45.100 0.018 0.000 0.775 605 G HN 0.607 nan 8.290 nan 0.000 0.543 606 T N 0.269 114.834 114.554 0.018 0.000 2.665 606 T HA -0.085 4.265 4.350 0.000 0.000 0.268 606 T C 2.569 177.284 174.700 0.025 0.000 1.035 606 T CA 2.154 64.266 62.100 0.020 0.000 1.151 606 T CB -0.671 68.210 68.868 0.021 0.000 0.862 606 T HN 0.440 nan 8.240 nan 0.000 0.438 607 A N 1.474 124.312 122.820 0.030 0.000 1.978 607 A HA 0.097 4.417 4.320 0.000 0.000 0.220 607 A C 2.449 180.051 177.584 0.031 0.000 1.170 607 A CA 1.518 53.577 52.037 0.036 0.000 0.636 607 A CB -0.873 18.154 19.000 0.045 0.000 0.810 607 A HN 0.572 nan 8.150 nan 0.000 0.448 608 L N -1.599 119.640 121.223 0.027 0.000 2.007 608 L HA -0.118 4.222 4.340 0.000 0.000 0.205 608 L C 2.659 179.539 176.870 0.017 0.000 1.073 608 L CA 1.492 56.345 54.840 0.022 0.000 0.744 608 L CB -0.586 41.485 42.059 0.020 0.000 0.898 608 L HN 0.418 nan 8.230 nan 0.000 0.435 609 R N 0.094 120.603 120.500 0.015 0.000 2.206 609 R HA -0.253 4.087 4.340 0.000 0.000 0.240 609 R C 1.511 177.819 176.300 0.013 0.000 1.117 609 R CA 2.681 58.788 56.100 0.012 0.000 0.915 609 R CB -0.535 29.772 30.300 0.012 0.000 0.888 609 R HN 0.502 nan 8.270 nan 0.000 0.432 610 T N -2.532 112.031 114.554 0.016 0.000 3.215 610 T HA 0.337 4.687 4.350 0.000 0.000 0.271 610 T C 0.346 175.057 174.700 0.019 0.000 1.012 610 T CA -0.110 61.999 62.100 0.016 0.000 0.899 610 T CB 0.951 69.828 68.868 0.016 0.000 1.089 610 T HN 0.356 nan 8.240 nan 0.000 0.552 611 G N 1.679 110.491 108.800 0.020 0.000 2.378 611 G HA2 0.406 4.366 3.960 0.000 0.000 0.255 611 G HA3 0.406 4.366 3.960 0.000 0.000 0.255 611 G C 0.235 175.146 174.900 0.018 0.000 1.270 611 G CA -0.591 44.522 45.100 0.022 0.000 0.876 611 G HN 0.517 nan 8.290 nan 0.000 0.521 612 S N 3.466 119.177 115.700 0.017 0.000 3.036 612 S HA 0.246 4.716 4.470 0.000 0.000 0.301 612 S C 0.603 175.212 174.600 0.015 0.000 1.205 612 S CA -0.770 57.439 58.200 0.015 0.000 0.999 612 S CB -0.283 62.925 63.200 0.014 0.000 1.337 612 S HN 0.721 nan 8.310 nan 0.000 0.515 613 L N 1.788 123.020 121.223 0.015 0.000 4.094 613 L HA -0.163 4.177 4.340 0.000 0.000 0.466 613 L C 1.115 177.994 176.870 0.016 0.000 0.991 613 L CA 0.345 55.194 54.840 0.015 0.000 0.821 613 L CB -1.938 40.130 42.059 0.015 0.000 1.201 613 L HN 0.796 nan 8.230 nan 0.000 0.757 614 G N 2.854 111.664 108.800 0.017 0.000 2.305 614 G HA2 0.212 4.172 3.960 0.000 0.000 0.281 614 G HA3 0.212 4.172 3.960 0.000 0.000 0.281 614 G C 0.304 175.214 174.900 0.015 0.000 1.085 614 G CA -0.252 44.859 45.100 0.017 0.000 1.211 614 G HN 0.525 nan 8.290 nan 0.000 0.421 615 K N 2.753 123.161 120.400 0.013 0.000 2.530 615 K HA 0.431 4.751 4.320 0.000 0.000 0.230 615 K C 0.741 177.347 176.600 0.009 0.000 1.002 615 K CA -0.524 55.770 56.287 0.012 0.000 1.014 615 K CB 0.702 33.209 32.500 0.012 0.000 1.286 615 K HN 0.404 nan 8.250 nan 0.000 0.480 616 G N 2.638 111.444 108.800 0.010 0.000 2.101 616 G HA2 -0.104 3.856 3.960 0.000 0.000 0.262 616 G HA3 -0.104 3.856 3.960 0.000 0.000 0.262 616 G C 1.209 176.112 174.900 0.005 0.000 1.041 616 G CA 0.150 45.254 45.100 0.007 0.000 1.002 616 G HN 0.535 nan 8.290 nan 0.000 0.403 617 V N 3.383 123.298 119.914 0.002 0.000 2.277 617 V HA -0.313 3.807 4.120 0.000 0.000 0.253 617 V C 3.194 179.288 176.094 0.001 0.000 1.067 617 V CA 3.623 65.923 62.300 0.001 0.000 1.047 617 V CB -0.817 31.004 31.823 -0.002 0.000 0.649 617 V HN 1.041 nan 8.190 nan 0.000 0.447 618 T N -1.688 112.866 114.554 0.001 0.000 2.570 618 T HA -0.336 4.014 4.350 0.000 0.000 0.266 618 T C 1.689 176.390 174.700 0.002 0.000 1.071 618 T CA 2.101 64.201 62.100 0.001 0.000 1.172 618 T CB -0.947 67.921 68.868 0.001 0.000 0.864 618 T HN 0.586 nan 8.240 nan 0.000 0.421 619 D N 1.863 122.264 120.400 0.003 0.000 2.178 619 D HA 0.015 4.655 4.640 0.000 0.000 0.201 619 D C 2.279 178.581 176.300 0.003 0.000 0.980 619 D CA 1.265 55.267 54.000 0.003 0.000 0.842 619 D CB -0.617 40.185 40.800 0.005 0.000 0.948 619 D HN 0.549 nan 8.370 nan 0.000 0.472 620 A N 0.245 123.067 122.820 0.004 0.000 1.841 620 A HA -0.202 4.118 4.320 0.000 0.000 0.216 620 A C 2.404 179.990 177.584 0.003 0.000 1.199 620 A CA 2.987 55.027 52.037 0.004 0.000 0.621 620 A CB -1.317 17.686 19.000 0.004 0.000 0.835 620 A HN 0.390 nan 8.150 nan 0.000 0.445 621 S N 0.148 115.849 115.700 0.002 0.000 2.380 621 S HA -0.280 4.190 4.470 0.000 0.000 0.229 621 S C 1.646 176.246 174.600 -0.000 0.000 1.043 621 S CA 1.920 60.120 58.200 0.001 0.000 1.038 621 S CB -0.574 62.626 63.200 -0.000 0.000 0.872 621 S HN 0.567 nan 8.310 nan 0.000 0.456 622 E N 1.364 121.564 120.200 -0.000 0.000 2.106 622 E HA 0.015 4.365 4.350 0.000 0.000 0.192 622 E C 2.110 178.709 176.600 -0.001 0.000 0.984 622 E CA 1.044 57.443 56.400 -0.001 0.000 0.806 622 E CB -0.211 29.488 29.700 -0.001 0.000 0.750 622 E HN 0.656 nan 8.360 nan 0.000 0.458 623 K N 0.337 120.737 120.400 -0.000 0.000 2.057 623 K HA -0.134 4.186 4.320 0.000 0.000 0.206 623 K C 2.137 178.737 176.600 0.000 0.000 1.050 623 K CA 0.865 57.152 56.287 0.000 0.000 0.935 623 K CB -0.182 32.320 32.500 0.002 0.000 0.715 623 K HN 0.111 nan 8.250 nan 0.000 0.439 624 L N 1.908 123.131 121.223 0.001 0.000 1.997 624 L HA -0.258 4.082 4.340 0.000 0.000 0.216 624 L C 2.529 179.399 176.870 -0.000 0.000 1.074 624 L CA 1.848 56.689 54.840 0.001 0.000 0.763 624 L CB -0.571 41.488 42.059 0.001 0.000 0.890 624 L HN 0.156 nan 8.230 nan 0.000 0.434 625 R N -0.203 120.296 120.500 -0.001 0.000 2.070 625 R HA -0.153 4.187 4.340 0.000 0.000 0.232 625 R C 2.170 178.468 176.300 -0.004 0.000 1.138 625 R CA 1.676 57.775 56.100 -0.002 0.000 0.936 625 R CB -0.782 29.516 30.300 -0.002 0.000 0.839 625 R HN 0.556 nan 8.270 nan 0.000 0.429 626 A N 1.461 124.278 122.820 -0.005 0.000 1.948 626 A HA -0.191 4.129 4.320 0.000 0.000 0.220 626 A C 2.287 179.866 177.584 -0.009 0.000 1.177 626 A CA 1.628 53.661 52.037 -0.008 0.000 0.636 626 A CB -0.492 18.503 19.000 -0.008 0.000 0.815 626 A HN 0.414 nan 8.150 nan 0.000 0.449 627 R N -0.898 119.599 120.500 -0.005 0.000 2.096 627 R HA -0.149 4.191 4.340 0.000 0.000 0.235 627 R C 2.480 178.779 176.300 -0.002 0.000 1.127 627 R CA 1.635 57.733 56.100 -0.004 0.000 0.968 627 R CB -0.309 29.991 30.300 -0.001 0.000 0.861 627 R HN 0.697 nan 8.270 nan 0.000 0.440 628 Q N 0.133 119.933 119.800 -0.001 0.000 2.016 628 Q HA -0.135 4.205 4.340 0.000 0.000 0.200 628 Q C 2.326 178.325 176.000 -0.002 0.000 0.978 628 Q CA 2.034 57.838 55.803 0.001 0.000 0.833 628 Q CB -0.007 28.732 28.738 0.002 0.000 0.895 628 Q HN 0.382 nan 8.270 nan 0.000 0.427 629 S N 0.743 116.440 115.700 -0.006 0.000 2.383 629 S HA -0.203 4.267 4.470 0.000 0.000 0.229 629 S C 1.906 176.493 174.600 -0.021 0.000 1.030 629 S CA 1.077 59.270 58.200 -0.012 0.000 1.002 629 S CB -0.509 62.683 63.200 -0.013 0.000 0.829 629 S HN 0.297 nan 8.310 nan 0.000 0.467 630 L N 1.979 123.189 121.223 -0.021 0.000 1.989 630 L HA -0.112 4.228 4.340 0.000 0.000 0.211 630 L C 2.683 179.534 176.870 -0.032 0.000 1.071 630 L CA 2.242 57.063 54.840 -0.031 0.000 0.749 630 L CB -1.178 40.866 42.059 -0.026 0.000 0.890 630 L HN 0.326 nan 8.230 nan 0.000 0.431 631 T N -1.025 113.525 114.554 -0.007 0.000 2.635 631 T HA -0.238 4.112 4.350 0.000 0.000 0.267 631 T C 1.899 176.597 174.700 -0.003 0.000 1.040 631 T CA 1.887 63.997 62.100 0.016 0.000 1.156 631 T CB -0.640 68.248 68.868 0.032 0.000 0.863 631 T HN 0.209 nan 8.240 nan 0.000 0.430 632 V N 2.137 122.046 119.914 -0.008 0.000 2.231 632 V HA -0.287 3.833 4.120 0.000 0.000 0.250 632 V C 2.943 179.009 176.094 -0.047 0.000 1.058 632 V CA 2.042 64.333 62.300 -0.015 0.000 1.022 632 V CB -1.445 30.374 31.823 -0.007 0.000 0.640 632 V HN 0.600 nan 8.190 nan 0.000 0.445 633 A N -0.910 121.874 122.820 -0.060 0.000 1.933 633 A HA -0.232 4.088 4.320 0.000 0.000 0.218 633 A C 2.320 179.816 177.584 -0.148 0.000 1.175 633 A CA 1.944 53.932 52.037 -0.082 0.000 0.628 633 A CB -0.473 18.479 19.000 -0.080 0.000 0.814 633 A HN 0.535 nan 8.150 nan 0.000 0.444 634 K N -0.778 119.498 120.400 -0.207 0.000 2.032 634 K HA -0.177 4.143 4.320 0.000 0.000 0.209 634 K C 2.312 178.221 176.600 -1.153 0.000 1.048 634 K CA 1.419 57.429 56.287 -0.461 0.000 0.927 634 K CB -0.242 32.116 32.500 -0.237 0.000 0.712 634 K HN 0.460 nan 8.250 nan 0.000 0.441 635 Q N 0.144 119.636 119.800 -0.514 0.000 2.029 635 Q HA -0.208 4.132 4.340 0.000 0.000 0.209 635 Q C 2.174 178.082 176.000 -0.153 0.000 0.999 635 Q CA 2.016 57.707 55.803 -0.187 0.000 0.857 635 Q CB -0.579 28.198 28.738 0.064 0.000 0.926 635 Q HN 0.356 nan 8.270 nan 0.000 0.415 636 A N 0.449 123.205 122.820 -0.106 0.000 1.940 636 A HA -0.207 4.113 4.320 0.000 0.000 0.219 636 A C 1.928 179.505 177.584 -0.011 0.000 1.176 636 A CA 1.598 53.613 52.037 -0.037 0.000 0.631 636 A CB -0.878 18.113 19.000 -0.015 0.000 0.814 636 A HN 0.420 nan 8.150 nan 0.000 0.446 637 F N 0.283 120.075 119.950 -0.264 0.000 2.075 637 F HA -0.162 4.365 4.527 0.000 0.000 0.297 637 F C 1.835 177.596 175.800 -0.066 0.000 1.113 637 F CA 1.478 59.356 58.000 -0.204 0.000 1.218 637 F CB -0.656 38.158 39.000 -0.310 0.000 0.984 637 F HN 0.205 nan 8.300 nan 0.000 0.472 638 F N 1.466 121.257 119.950 -0.266 0.000 2.126 638 F HA -0.190 4.337 4.527 0.000 0.000 0.299 638 F C 2.389 178.070 175.800 -0.197 0.000 1.096 638 F CA 1.362 59.136 58.000 -0.378 0.000 1.255 638 F CB -1.700 37.197 39.000 -0.173 0.000 0.997 638 F HN 0.044 nan 8.300 nan 0.000 0.479 639 D N -0.052 120.397 120.400 0.081 0.000 2.116 639 D HA -0.214 4.426 4.640 0.000 0.000 0.193 639 D C 2.336 178.666 176.300 0.050 0.000 0.998 639 D CA 1.436 55.473 54.000 0.061 0.000 0.836 639 D CB -0.662 40.171 40.800 0.054 0.000 0.951 639 D HN 0.294 nan 8.370 nan 0.000 0.449 640 Q N 0.709 120.534 119.800 0.042 0.000 2.061 640 Q HA -0.164 4.176 4.340 0.000 0.000 0.204 640 Q C 2.370 178.435 176.000 0.109 0.000 0.984 640 Q CA 1.084 56.929 55.803 0.071 0.000 0.846 640 Q CB -0.440 28.346 28.738 0.081 0.000 0.902 640 Q HN 0.359 nan 8.270 nan 0.000 0.421 641 I N 0.812 121.409 120.570 0.045 0.000 2.226 641 I HA -0.213 3.957 4.170 0.000 0.000 0.245 641 I C 2.486 178.763 176.117 0.265 0.000 1.100 641 I CA 1.212 62.607 61.300 0.157 0.000 1.374 641 I CB -0.726 37.177 38.000 -0.162 0.000 1.057 641 I HN 0.332 nan 8.210 nan 0.000 0.413 642 G N 0.476 109.335 108.800 0.098 0.000 2.469 642 G HA2 -0.344 3.616 3.960 0.000 0.000 0.219 642 G HA3 -0.344 3.616 3.960 0.000 0.000 0.219 642 G C 1.809 176.751 174.900 0.071 0.000 1.150 642 G CA 1.307 46.441 45.100 0.056 0.000 0.763 642 G HN 0.519 nan 8.290 nan 0.000 0.561 643 S N 0.265 116.020 115.700 0.090 0.000 2.368 643 S HA 0.014 4.484 4.470 0.000 0.000 0.225 643 S C 2.354 177.007 174.600 0.088 0.000 1.030 643 S CA 1.317 59.566 58.200 0.082 0.000 0.999 643 S CB -0.358 62.884 63.200 0.071 0.000 0.844 643 S HN 0.268 nan 8.310 nan 0.000 0.459 644 L N -1.181 120.125 121.223 0.139 0.000 2.209 644 L HA 0.320 4.660 4.340 0.000 0.000 0.207 644 L C 1.018 177.787 176.870 -0.168 0.000 1.094 644 L CA 0.401 55.287 54.840 0.076 0.000 0.790 644 L CB 0.123 42.353 42.059 0.285 0.000 0.932 644 L HN 0.597 nan 8.230 nan 0.000 0.447 645 W N 2.373 123.331 121.300 -0.569 0.000 2.409 645 W HA 0.263 4.923 4.660 0.000 0.000 0.285 645 W C -2.550 173.816 176.519 -0.254 0.000 1.030 645 W CA -2.106 54.842 57.345 -0.662 0.000 1.330 645 W CB 1.510 30.196 29.460 -1.291 0.000 1.236 645 W HN -0.230 nan 8.180 nan 0.000 0.341 646 P HA 0.040 nan 4.420 nan 0.000 0.252 646 P C 0.810 177.673 177.300 -0.729 0.000 1.694 646 P CA 0.521 63.525 63.100 -0.160 0.000 1.163 646 P CB -0.232 31.464 31.700 -0.007 0.000 1.934 647 G N 5.101 113.143 108.800 -1.264 0.000 2.272 647 G HA2 0.074 4.034 3.960 0.000 0.000 0.274 647 G HA3 0.074 4.034 3.960 0.000 0.000 0.274 647 G C 0.533 174.971 174.900 -0.770 0.000 1.136 647 G CA -0.217 43.904 45.100 -1.631 0.000 1.098 647 G HN 0.586 nan 8.290 nan 0.000 0.425 648 K N 0.000 120.030 120.400 -0.617 0.000 2.780 648 K HA 0.000 4.320 4.320 0.000 0.000 0.191 648 K CA 0.000 56.136 56.287 -0.253 0.000 0.838 648 K CB 0.000 32.415 32.500 -0.142 0.000 1.064 648 K HN 0.000 nan 8.250 nan 0.000 0.543