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 1m2o_1_A DATA FIRST_RESID 2 DATA SEQUENCE DFETNEDING VRFTWNVFPS TRSDANSNVV PVGCLYTPLK EYDELNVAPY DATA SEQUENCE NPVVCSGPHC KSILNPYCVI DPRNSSWSCP ICNSRNHLPP QYTNXXXENM DATA SEQUENCE PLELQSTTIE YITNKPVTVP PIFFFVVDLT SETENLDSLK ESIITSLSLL DATA SEQUENCE PPNALIGLIT YGNVVQLHDL SSETIDRCNV FRGDREYQLE ALTEMLTGQK DATA SEQUENCE PTXXXXXXXX XXXXXXXVTP FSLNRFFLPL EQVEFKLNQL LENLSPDQWS DATA SEQUENCE VPAGHRPLRA TGSALNIASL LLQGCYKNIP ARIILFASGP GTVAPGLIVN DATA SEQUENCE SELKDPLRSH HDIDSDHAQH YKKACKFYNQ IAQRVAANGH TVDIFAGCYD DATA SEQUENCE QIGMSEMKQL TDSTGGVLLL TDAFSTAIFK QSYLRLFAKD EEGYLKMAFN DATA SEQUENCE GNMAVKTSKD LKVQGLIGHA SAVKKTDANN ISESEIGIGA TSTWKMASLS DATA SEQUENCE PYHSYAIFFE IANTXXXXXX XXXXXXXXXX XHLAYTQFIT TYQHSSGTNR DATA SEQUENCE IRVTTVANQL LPFGTPAIAA SFDQEAAAVL MARIAVHKAE TDDGADVIRW DATA SEQUENCE LDRTLIKLCQ KYADYNKDDP QSFRLAPNFS LYPQFTYYLR RSQFLSVFNN DATA SEQUENCE SPDETAFYRH IFTREDTTNS LIMIQPTLTS FSMEDDPQPV LLDSISVKPN DATA SEQUENCE TILLLDTFFF ILIYHGEQIA QWRKAGYQDD PQYADFKALL EEPKLEAAEL DATA SEQUENCE LVDRFPLPRF IDTEAGGSQA RFLLSKLNPS XXXXXXXXXX XTIVLTDDVS DATA SEQUENCE LQNFMTHLQQ VAVS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.217 176.300 -0.138 0.000 2.045 2 D CA 0.000 53.904 54.000 -0.160 0.000 0.868 2 D CB 0.000 40.613 40.800 -0.311 0.000 0.688 3 F N 1.794 121.740 119.950 -0.007 0.000 2.206 3 F HA 0.164 4.669 4.527 -0.037 0.000 0.298 3 F C 2.052 177.848 175.800 -0.006 0.000 1.090 3 F CA 1.150 59.142 58.000 -0.013 0.000 1.323 3 F CB 0.110 39.085 39.000 -0.041 0.000 1.028 3 F HN 0.069 nan 8.300 nan 0.000 0.492 4 E N -0.478 119.826 120.200 0.173 0.000 2.274 4 E HA -0.104 4.222 4.350 -0.040 0.000 0.194 4 E C 1.957 178.603 176.600 0.075 0.000 0.996 4 E CA 1.253 57.711 56.400 0.097 0.000 0.840 4 E CB -0.248 29.492 29.700 0.066 0.000 0.772 4 E HN 0.338 nan 8.360 nan 0.000 0.491 5 T N 1.421 116.013 114.554 0.063 0.000 2.708 5 T HA -0.180 4.146 4.350 -0.040 0.000 0.266 5 T C 1.765 176.507 174.700 0.070 0.000 1.037 5 T CA 1.618 63.748 62.100 0.049 0.000 1.146 5 T CB -0.334 68.546 68.868 0.020 0.000 0.865 5 T HN 0.163 nan 8.240 nan 0.000 0.435 6 N N 1.089 119.839 118.700 0.085 0.000 2.223 6 N HA -0.130 4.586 4.740 -0.040 0.000 0.185 6 N C 1.789 177.376 175.510 0.129 0.000 1.016 6 N CA 1.434 54.550 53.050 0.110 0.000 0.863 6 N CB -0.129 38.438 38.487 0.133 0.000 0.983 6 N HN 0.507 nan 8.380 nan 0.000 0.429 7 E N -0.497 119.771 120.200 0.114 0.000 2.107 7 E HA -0.145 4.181 4.350 -0.040 0.000 0.191 7 E C 0.724 177.396 176.600 0.120 0.000 0.982 7 E CA 0.994 57.450 56.400 0.094 0.000 0.809 7 E CB -0.022 29.704 29.700 0.043 0.000 0.756 7 E HN 0.449 nan 8.360 nan 0.000 0.459 8 D N 0.226 120.697 120.400 0.118 0.000 2.219 8 D HA -0.098 4.518 4.640 -0.040 0.000 0.205 8 D C 1.913 178.375 176.300 0.271 0.000 0.970 8 D CA 0.765 54.860 54.000 0.159 0.000 0.851 8 D CB 0.133 40.995 40.800 0.102 0.000 0.943 8 D HN 0.344 nan 8.370 nan 0.000 0.488 9 I N 0.565 121.242 120.570 0.179 0.000 2.494 9 I HA -0.089 4.057 4.170 -0.040 0.000 0.250 9 I C 1.364 177.532 176.117 0.085 0.000 1.112 9 I CA 0.659 62.011 61.300 0.087 0.000 1.438 9 I CB 0.144 38.175 38.000 0.052 0.000 1.111 9 I HN -0.127 nan 8.210 nan 0.000 0.431 10 N N 0.061 118.889 118.700 0.214 0.000 2.159 10 N HA 0.124 4.840 4.740 -0.040 0.000 0.217 10 N C 1.097 176.815 175.510 0.347 0.000 1.223 10 N CA 0.821 54.030 53.050 0.264 0.000 0.896 10 N CB 1.394 40.004 38.487 0.205 0.000 1.064 10 N HN 0.299 nan 8.380 nan 0.000 0.518 11 G N 1.216 110.175 108.800 0.265 0.000 2.225 11 G HA2 -0.252 3.684 3.960 -0.040 0.000 0.267 11 G HA3 -0.252 3.684 3.960 -0.040 0.000 0.267 11 G C -0.187 174.754 174.900 0.068 0.000 1.024 11 G CA 0.566 45.703 45.100 0.062 0.000 0.784 11 G HN 0.182 nan 8.290 nan 0.000 0.507 12 V N -0.702 119.279 119.914 0.111 0.000 2.715 12 V HA 0.878 4.974 4.120 -0.040 0.000 0.310 12 V C 0.253 176.368 176.094 0.036 0.000 1.054 12 V CA -1.043 61.289 62.300 0.053 0.000 0.928 12 V CB 2.075 33.936 31.823 0.063 0.000 1.007 12 V HN 0.394 nan 8.190 nan 0.000 0.437 13 R N 2.505 122.966 120.500 -0.066 0.000 2.518 13 R HA 0.540 4.856 4.340 -0.040 0.000 0.296 13 R C -1.736 174.489 176.300 -0.124 0.000 1.080 13 R CA -0.282 55.787 56.100 -0.052 0.000 0.922 13 R CB 0.890 31.110 30.300 -0.133 0.000 1.184 13 R HN 0.515 nan 8.270 nan 0.000 0.445 14 F N 1.305 121.237 119.950 -0.029 0.000 2.397 14 F HA 0.238 4.742 4.527 -0.039 0.000 0.331 14 F C 1.853 177.578 175.800 -0.125 0.000 1.090 14 F CA 0.117 58.120 58.000 0.005 0.000 1.065 14 F CB 1.982 41.069 39.000 0.144 0.000 1.184 14 F HN 0.686 nan 8.300 nan 0.000 0.499 15 T N -1.500 113.113 114.554 0.099 0.000 2.737 15 T HA -0.160 4.165 4.350 -0.040 0.000 0.265 15 T C 0.008 174.508 174.700 -0.333 0.000 1.038 15 T CA 0.820 62.787 62.100 -0.223 0.000 1.144 15 T CB -0.239 68.589 68.868 -0.066 0.000 0.866 15 T HN 0.433 nan 8.240 nan 0.000 0.434 16 W N 1.928 123.361 121.300 0.221 0.000 2.499 16 W HA 0.600 5.234 4.660 -0.044 0.000 0.320 16 W C 0.145 176.847 176.519 0.305 0.000 1.010 16 W CA -1.135 56.367 57.345 0.261 0.000 1.267 16 W CB 0.702 30.345 29.460 0.306 0.000 1.316 16 W HN -0.030 nan 8.180 nan 0.000 0.431 17 N N 0.894 119.812 118.700 0.364 0.000 2.459 17 N HA -0.037 4.679 4.740 -0.040 0.000 0.181 17 N C -0.089 175.325 175.510 -0.160 0.000 1.046 17 N CA 0.700 53.800 53.050 0.083 0.000 0.904 17 N CB 0.167 38.728 38.487 0.124 0.000 0.964 17 N HN 0.073 nan 8.380 nan 0.000 0.444 18 V N 2.009 121.949 119.914 0.044 0.000 2.376 18 V HA 0.308 4.404 4.120 -0.040 0.000 0.287 18 V C -0.835 175.311 176.094 0.087 0.000 1.015 18 V CA -0.812 61.415 62.300 -0.121 0.000 0.834 18 V CB 0.515 32.327 31.823 -0.019 0.000 1.001 18 V HN -0.049 nan 8.190 nan 0.000 0.428 19 F N 5.514 125.405 119.950 -0.099 0.000 2.370 19 F HA 0.628 5.135 4.527 -0.032 0.000 0.324 19 F C -1.984 173.732 175.800 -0.140 0.000 1.116 19 F CA -3.438 54.488 58.000 -0.123 0.000 1.123 19 F CB -0.135 38.787 39.000 -0.130 0.000 1.238 19 F HN 0.252 nan 8.300 nan 0.000 0.536 20 P HA 0.176 nan 4.420 nan 0.000 0.276 20 P C 0.097 177.412 177.300 0.025 0.000 1.252 20 P CA -0.331 62.752 63.100 -0.027 0.000 0.802 20 P CB 0.725 32.363 31.700 -0.102 0.000 1.035 21 S N -1.759 113.957 115.700 0.027 0.000 2.634 21 S HA 0.173 4.619 4.470 -0.040 0.000 0.221 21 S C 0.372 175.010 174.600 0.063 0.000 0.952 21 S CA 0.069 58.301 58.200 0.054 0.000 0.930 21 S CB -1.089 62.151 63.200 0.067 0.000 0.780 21 S HN 0.615 nan 8.310 nan 0.000 0.498 22 T N -2.228 112.356 114.554 0.050 0.000 2.792 22 T HA 0.508 4.833 4.350 -0.040 0.000 0.303 22 T C 0.272 174.997 174.700 0.042 0.000 1.310 22 T CA -1.101 61.032 62.100 0.055 0.000 1.007 22 T CB 1.504 70.413 68.868 0.068 0.000 1.335 22 T HN -0.047 nan 8.240 nan 0.000 0.504 23 R N 0.205 120.734 120.500 0.048 0.000 2.075 23 R HA 0.051 4.367 4.340 -0.040 0.000 0.226 23 R C 2.617 178.945 176.300 0.047 0.000 1.114 23 R CA 1.274 57.402 56.100 0.046 0.000 0.972 23 R CB -0.566 29.765 30.300 0.051 0.000 0.869 23 R HN 0.621 nan 8.270 nan 0.000 0.437 24 S N 1.038 116.771 115.700 0.056 0.000 2.359 24 S HA -0.175 4.271 4.470 -0.040 0.000 0.223 24 S C 1.322 175.961 174.600 0.064 0.000 1.039 24 S CA 1.815 60.054 58.200 0.066 0.000 1.042 24 S CB -0.299 62.946 63.200 0.076 0.000 0.915 24 S HN 0.291 nan 8.310 nan 0.000 0.439 25 D N 1.398 121.835 120.400 0.062 0.000 2.123 25 D HA -0.058 4.558 4.640 -0.040 0.000 0.196 25 D C 2.103 178.376 176.300 -0.045 0.000 0.992 25 D CA 1.284 55.294 54.000 0.016 0.000 0.833 25 D CB -0.590 40.201 40.800 -0.015 0.000 0.954 25 D HN 0.417 nan 8.370 nan 0.000 0.455 26 A N 1.149 123.942 122.820 -0.045 0.000 1.902 26 A HA -0.200 4.096 4.320 -0.040 0.000 0.217 26 A C 2.044 179.630 177.584 0.003 0.000 1.181 26 A CA 1.344 53.337 52.037 -0.074 0.000 0.623 26 A CB -0.417 18.560 19.000 -0.038 0.000 0.818 26 A HN 0.113 nan 8.150 nan 0.000 0.443 27 N N 0.637 119.363 118.700 0.043 0.000 2.039 27 N HA -0.140 4.576 4.740 -0.040 0.000 0.193 27 N C 2.047 177.613 175.510 0.094 0.000 1.044 27 N CA 2.067 55.165 53.050 0.080 0.000 0.847 27 N CB -0.585 37.948 38.487 0.077 0.000 1.030 27 N HN 0.606 nan 8.380 nan 0.000 0.422 28 S N 0.497 116.245 115.700 0.080 0.000 2.547 28 S HA 0.046 4.491 4.470 -0.040 0.000 0.235 28 S C 1.316 175.991 174.600 0.125 0.000 0.980 28 S CA 0.477 58.733 58.200 0.094 0.000 0.941 28 S CB -0.156 63.093 63.200 0.081 0.000 0.763 28 S HN 0.169 nan 8.310 nan 0.000 0.532 29 N N 1.023 119.787 118.700 0.107 0.000 2.512 29 N HA 0.056 4.772 4.740 -0.040 0.000 0.183 29 N C 1.289 176.991 175.510 0.320 0.000 1.073 29 N CA 0.839 53.998 53.050 0.181 0.000 0.911 29 N CB 0.067 38.450 38.487 -0.173 0.000 0.964 29 N HN 0.340 nan 8.380 nan 0.000 0.447 30 V N -1.414 118.642 119.914 0.237 0.000 0.516 30 V HA -0.327 3.768 4.120 -0.040 0.000 0.092 30 V C 0.571 176.836 176.094 0.286 0.000 2.243 30 V CA 1.671 64.107 62.300 0.227 0.000 3.573 30 V CB -1.226 30.703 31.823 0.177 0.000 0.862 30 V HN 0.050 nan 8.190 nan 0.000 0.902 31 V N 4.043 124.195 119.914 0.398 0.000 2.439 31 V HA 0.278 4.374 4.120 -0.040 0.000 0.271 31 V C -1.613 174.839 176.094 0.596 0.000 1.040 31 V CA -0.807 61.755 62.300 0.437 0.000 1.002 31 V CB 0.792 32.821 31.823 0.343 0.000 1.000 31 V HN 0.425 nan 8.190 nan 0.000 0.477 32 P HA 0.043 nan 4.420 nan 0.000 0.269 32 P C -0.288 177.305 177.300 0.487 0.000 1.217 32 P CA -0.123 63.221 63.100 0.407 0.000 0.783 32 P CB 0.389 32.319 31.700 0.383 0.000 0.898 33 V N 1.810 121.932 119.914 0.347 0.000 2.555 33 V HA 0.559 4.655 4.120 -0.040 0.000 0.286 33 V C 1.026 177.351 176.094 0.386 0.000 1.044 33 V CA 1.158 63.627 62.300 0.282 0.000 1.026 33 V CB 0.003 31.734 31.823 -0.153 0.000 0.981 33 V HN 0.928 nan 8.190 nan 0.000 0.480 34 G N 2.999 112.030 108.800 0.385 0.000 2.451 34 G HA2 0.583 4.519 3.960 -0.040 0.000 0.292 34 G HA3 0.583 4.519 3.960 -0.040 0.000 0.292 34 G C -1.167 173.666 174.900 -0.112 0.000 1.427 34 G CA 0.020 45.237 45.100 0.194 0.000 0.792 34 G HN 1.281 nan 8.290 nan 0.000 0.498 35 C N -1.100 117.964 119.300 -0.393 0.000 3.239 35 C HA 0.869 5.305 4.460 -0.040 0.000 0.317 35 C C -1.117 173.605 174.990 -0.447 0.000 1.310 35 C CA -1.085 57.588 59.018 -0.575 0.000 1.371 35 C CB 0.856 27.896 27.740 -1.167 0.000 1.714 35 C HN 1.131 nan 8.230 nan 0.000 0.473 36 L N 2.420 123.424 121.223 -0.364 0.000 2.295 36 L HA 0.740 5.056 4.340 -0.040 0.000 0.285 36 L C -1.073 175.676 176.870 -0.203 0.000 1.035 36 L CA -0.072 54.590 54.840 -0.295 0.000 0.806 36 L CB 1.168 43.046 42.059 -0.302 0.000 1.214 36 L HN 0.871 nan 8.230 nan 0.000 0.426 37 Y N 2.685 122.787 120.300 -0.330 0.000 2.442 37 Y HA 0.577 5.103 4.550 -0.041 0.000 0.344 37 Y C -0.783 174.980 175.900 -0.227 0.000 0.976 37 Y CA -0.939 56.954 58.100 -0.344 0.000 1.040 37 Y CB 2.093 40.246 38.460 -0.512 0.000 1.228 37 Y HN 0.610 nan 8.280 nan 0.000 0.451 38 T N 9.014 123.087 114.554 -0.802 0.000 3.149 38 T HA 0.203 4.529 4.350 -0.040 0.000 0.373 38 T C -1.956 172.164 174.700 -0.966 0.000 1.364 38 T CA -1.222 60.454 62.100 -0.707 0.000 1.110 38 T CB 0.912 69.499 68.868 -0.469 0.000 1.127 38 T HN 0.523 nan 8.240 nan 0.000 0.576 39 P HA -0.076 nan 4.420 nan 0.000 0.216 39 P C 0.714 177.819 177.300 -0.326 0.000 1.153 39 P CA 1.081 63.800 63.100 -0.635 0.000 0.858 39 P CB 0.259 31.808 31.700 -0.252 0.000 0.789 40 L N -0.672 120.346 121.223 -0.342 0.000 2.978 40 L HA 0.264 4.579 4.340 -0.040 0.000 0.239 40 L C 1.116 177.794 176.870 -0.320 0.000 1.293 40 L CA -0.560 54.097 54.840 -0.305 0.000 1.085 40 L CB -0.584 41.249 42.059 -0.376 0.000 1.432 40 L HN -0.026 nan 8.230 nan 0.000 0.512 41 K N 1.870 122.048 120.400 -0.370 0.000 2.436 41 K HA 0.033 4.329 4.320 -0.040 0.000 0.275 41 K C -0.124 176.165 176.600 -0.518 0.000 0.999 41 K CA -0.042 55.938 56.287 -0.511 0.000 0.980 41 K CB 0.611 32.692 32.500 -0.698 0.000 0.919 41 K HN 0.251 nan 8.250 nan 0.000 0.484 42 E N 3.816 123.759 120.200 -0.428 0.000 2.003 42 E HA 0.054 4.380 4.350 -0.040 0.000 0.279 42 E C -1.084 175.357 176.600 -0.265 0.000 1.132 42 E CA -0.154 56.091 56.400 -0.258 0.000 0.888 42 E CB 0.312 29.915 29.700 -0.162 0.000 1.056 42 E HN 0.363 nan 8.360 nan 0.000 0.399 43 Y N 1.508 121.788 120.300 -0.034 0.000 2.335 43 Y HA 0.033 4.563 4.550 -0.034 0.000 0.323 43 Y C 1.499 177.392 175.900 -0.012 0.000 1.224 43 Y CA -0.557 57.531 58.100 -0.021 0.000 1.241 43 Y CB 0.837 39.286 38.460 -0.018 0.000 1.235 43 Y HN 0.457 nan 8.280 nan 0.000 0.492 44 D N 0.885 121.381 120.400 0.161 0.000 2.097 44 D HA -0.131 4.485 4.640 -0.040 0.000 0.195 44 D C -0.247 176.098 176.300 0.075 0.000 0.989 44 D CA 1.544 55.596 54.000 0.086 0.000 0.827 44 D CB 0.203 41.041 40.800 0.064 0.000 0.966 44 D HN 0.651 nan 8.370 nan 0.000 0.456 45 E N 0.677 120.921 120.200 0.075 0.000 3.108 45 E HA 0.219 4.545 4.350 -0.040 0.000 0.228 45 E C -0.757 175.844 176.600 0.003 0.000 1.176 45 E CA -0.432 55.986 56.400 0.030 0.000 0.881 45 E CB 1.400 31.104 29.700 0.008 0.000 1.354 45 E HN 0.003 nan 8.360 nan 0.000 0.400 46 L N 2.158 123.397 121.223 0.026 0.000 2.380 46 L HA 0.188 4.504 4.340 -0.040 0.000 0.273 46 L C -0.123 176.711 176.870 -0.061 0.000 1.138 46 L CA -0.075 54.753 54.840 -0.021 0.000 0.832 46 L CB 0.486 42.587 42.059 0.071 0.000 1.124 46 L HN 0.199 nan 8.230 nan 0.000 0.454 47 N N 4.586 123.219 118.700 -0.112 0.000 2.415 47 N HA 0.179 4.895 4.740 -0.040 0.000 0.246 47 N C -1.088 174.326 175.510 -0.160 0.000 1.078 47 N CA -0.211 52.763 53.050 -0.126 0.000 0.942 47 N CB 1.272 39.673 38.487 -0.144 0.000 1.140 47 N HN 0.382 nan 8.380 nan 0.000 0.501 48 V N 1.573 121.400 119.914 -0.145 0.000 2.407 48 V HA 0.436 4.532 4.120 -0.040 0.000 0.278 48 V C 0.433 176.372 176.094 -0.259 0.000 1.037 48 V CA -0.961 61.228 62.300 -0.184 0.000 0.900 48 V CB 1.138 32.889 31.823 -0.121 0.000 0.983 48 V HN 0.627 nan 8.190 nan 0.000 0.459 49 A N 7.177 129.737 122.820 -0.433 0.000 2.280 49 A HA 0.684 4.980 4.320 -0.040 0.000 0.320 49 A C -2.359 174.869 177.584 -0.593 0.000 1.366 49 A CA -1.628 50.002 52.037 -0.679 0.000 0.938 49 A CB 0.582 18.889 19.000 -1.155 0.000 1.157 49 A HN 0.668 nan 8.150 nan 0.000 0.536 50 P HA 0.258 nan 4.420 nan 0.000 0.225 50 P C -1.287 176.061 177.300 0.079 0.000 1.768 50 P CA 0.584 63.631 63.100 -0.088 0.000 0.943 50 P CB -0.923 30.794 31.700 0.028 0.000 1.936 51 Y N -3.253 117.112 120.300 0.109 0.000 2.687 51 Y HA 0.342 4.866 4.550 -0.044 0.000 0.338 51 Y C -0.458 175.549 175.900 0.178 0.000 1.189 51 Y CA -1.680 56.493 58.100 0.122 0.000 1.097 51 Y CB 0.146 38.677 38.460 0.119 0.000 1.342 51 Y HN -0.261 nan 8.280 nan 0.000 0.461 52 N N 1.996 120.878 118.700 0.303 0.000 2.267 52 N HA 0.212 4.927 4.740 -0.040 0.000 0.226 52 N C -2.623 172.971 175.510 0.140 0.000 1.314 52 N CA -0.501 52.632 53.050 0.139 0.000 0.887 52 N CB 0.232 38.758 38.487 0.065 0.000 1.120 52 N HN 0.441 nan 8.380 nan 0.000 0.440 53 P HA 0.228 nan 4.420 nan 0.000 0.287 53 P C -0.705 176.496 177.300 -0.165 0.000 1.270 53 P CA -0.552 62.273 63.100 -0.458 0.000 0.844 53 P CB 0.955 32.053 31.700 -1.003 0.000 1.068 54 V N 3.136 122.990 119.914 -0.100 0.000 2.405 54 V HA 0.095 4.190 4.120 -0.040 0.000 0.264 54 V C 0.355 176.431 176.094 -0.030 0.000 1.048 54 V CA -0.135 62.107 62.300 -0.097 0.000 0.966 54 V CB 0.538 32.234 31.823 -0.211 0.000 1.015 54 V HN 0.246 nan 8.190 nan 0.000 0.477 55 V N 5.109 125.057 119.914 0.056 0.000 2.481 55 V HA 0.237 4.333 4.120 -0.040 0.000 0.286 55 V C 0.648 176.923 176.094 0.301 0.000 1.042 55 V CA -0.595 61.782 62.300 0.129 0.000 0.928 55 V CB 1.526 33.380 31.823 0.051 0.000 0.986 55 V HN 1.035 nan 8.190 nan 0.000 0.462 56 C N 3.627 123.155 119.300 0.379 0.000 2.702 56 C HA 0.169 4.605 4.460 -0.040 0.000 0.411 56 C C 1.789 176.824 174.990 0.075 0.000 1.286 56 C CA 0.662 59.843 59.018 0.273 0.000 1.979 56 C CB 0.656 28.508 27.740 0.186 0.000 2.728 56 C HN 1.030 nan 8.230 nan 0.000 0.652 57 S N 2.057 117.730 115.700 -0.045 0.000 2.601 57 S HA 0.341 4.787 4.470 -0.040 0.000 0.244 57 S C 0.492 175.050 174.600 -0.071 0.000 1.001 57 S CA 0.262 58.434 58.200 -0.046 0.000 0.984 57 S CB -0.688 62.481 63.200 -0.050 0.000 0.842 57 S HN 1.116 nan 8.310 nan 0.000 0.474 58 G N 1.884 110.641 108.800 -0.072 0.000 2.507 58 G HA2 0.473 4.409 3.960 -0.040 0.000 0.271 58 G HA3 0.473 4.409 3.960 -0.040 0.000 0.271 58 G C -2.859 172.031 174.900 -0.018 0.000 1.189 58 G CA -1.548 43.518 45.100 -0.056 0.000 0.859 58 G HN 0.238 nan 8.290 nan 0.000 0.542 59 P HA 0.078 nan 4.420 nan 0.000 0.250 59 P C -0.525 176.887 177.300 0.187 0.000 1.161 59 P CA 0.590 63.747 63.100 0.095 0.000 0.863 59 P CB -0.286 31.479 31.700 0.110 0.000 0.827 60 H N -0.345 118.717 119.070 -0.013 0.000 2.604 60 H HA -0.211 4.320 4.556 -0.041 0.000 0.321 60 H C 1.085 176.411 175.328 -0.004 0.000 1.132 60 H CA 0.631 56.673 56.048 -0.010 0.000 1.129 60 H CB -1.654 28.101 29.762 -0.012 0.000 1.526 60 H HN 0.540 nan 8.280 nan 0.000 0.415 61 C N -0.280 119.059 119.300 0.064 0.000 2.370 61 C HA 0.160 4.596 4.460 -0.040 0.000 0.348 61 C C 1.334 176.353 174.990 0.048 0.000 1.477 61 C CA 0.722 59.774 59.018 0.056 0.000 2.302 61 C CB 0.011 27.776 27.740 0.041 0.000 2.220 61 C HN 0.848 nan 8.230 nan 0.000 0.625 62 K N 1.388 121.810 120.400 0.037 0.000 3.048 62 K HA -0.147 4.149 4.320 -0.040 0.000 0.274 62 K C 0.175 176.816 176.600 0.067 0.000 1.098 62 K CA 0.404 56.715 56.287 0.041 0.000 0.807 62 K CB -1.825 30.686 32.500 0.018 0.000 1.217 62 K HN 0.580 nan 8.250 nan 0.000 0.477 63 S N 0.331 116.091 115.700 0.099 0.000 2.593 63 S HA 0.373 4.819 4.470 -0.040 0.000 0.269 63 S C 0.750 175.445 174.600 0.158 0.000 1.334 63 S CA -0.494 57.780 58.200 0.124 0.000 1.015 63 S CB 0.888 64.173 63.200 0.142 0.000 0.912 63 S HN 0.189 nan 8.310 nan 0.000 0.541 64 I N 1.756 122.397 120.570 0.119 0.000 2.566 64 I HA 0.266 4.412 4.170 -0.040 0.000 0.303 64 I C -0.071 176.071 176.117 0.041 0.000 0.983 64 I CA -0.928 60.410 61.300 0.063 0.000 1.235 64 I CB 0.920 38.922 38.000 0.004 0.000 1.386 64 I HN 0.400 nan 8.210 nan 0.000 0.494 65 L N 6.917 128.053 121.223 -0.145 0.000 2.540 65 L HA 0.086 4.402 4.340 -0.040 0.000 0.276 65 L C -0.037 176.787 176.870 -0.076 0.000 1.212 65 L CA 0.778 55.383 54.840 -0.391 0.000 0.893 65 L CB -0.387 41.321 42.059 -0.585 0.000 1.138 65 L HN 0.818 nan 8.230 nan 0.000 0.491 66 N N 2.846 121.523 118.700 -0.039 0.000 2.972 66 N HA 0.450 5.166 4.740 -0.040 0.000 0.262 66 N C -2.733 172.797 175.510 0.033 0.000 1.478 66 N CA -1.548 51.543 53.050 0.068 0.000 0.841 66 N CB 1.119 39.722 38.487 0.193 0.000 1.512 66 N HN 0.139 nan 8.380 nan 0.000 0.548 67 P HA -0.022 nan 4.420 nan 0.000 0.220 67 P C 0.434 177.622 177.300 -0.187 0.000 1.148 67 P CA 1.258 64.269 63.100 -0.148 0.000 0.803 67 P CB -0.155 31.381 31.700 -0.272 0.000 0.782 68 Y N -2.066 118.285 120.300 0.084 0.000 2.553 68 Y HA 0.035 4.586 4.550 0.002 0.000 0.303 68 Y C 0.849 176.758 175.900 0.016 0.000 1.194 68 Y CA -0.438 57.719 58.100 0.096 0.000 1.305 68 Y CB -0.997 37.581 38.460 0.197 0.000 1.045 68 Y HN -0.104 nan 8.280 nan 0.000 0.514 69 C N 1.393 120.778 119.300 0.143 0.000 2.394 69 C HA 0.369 4.805 4.460 -0.040 0.000 0.362 69 C C 0.664 175.745 174.990 0.152 0.000 1.268 69 C CA -1.424 57.706 59.018 0.187 0.000 1.828 69 C CB -0.438 27.466 27.740 0.274 0.000 2.442 69 C HN 0.016 nan 8.230 nan 0.000 0.549 70 V N 6.404 126.402 119.914 0.141 0.000 2.439 70 V HA 0.152 4.248 4.120 -0.040 0.000 0.271 70 V C 0.532 176.709 176.094 0.138 0.000 1.040 70 V CA 0.122 62.489 62.300 0.110 0.000 1.002 70 V CB -0.028 31.844 31.823 0.081 0.000 1.000 70 V HN 0.599 nan 8.190 nan 0.000 0.477 71 I N 4.116 124.755 120.570 0.113 0.000 2.532 71 I HA 0.367 4.513 4.170 -0.040 0.000 0.292 71 I C 0.178 176.348 176.117 0.088 0.000 1.014 71 I CA -0.038 61.336 61.300 0.122 0.000 1.340 71 I CB 1.438 39.491 38.000 0.089 0.000 1.422 71 I HN 0.618 nan 8.210 nan 0.000 0.528 72 D N 6.912 127.368 120.400 0.092 0.000 2.469 72 D HA 0.328 4.944 4.640 -0.040 0.000 0.251 72 D C -2.061 174.278 176.300 0.064 0.000 1.173 72 D CA -1.750 52.290 54.000 0.067 0.000 0.882 72 D CB 2.473 43.309 40.800 0.060 0.000 1.129 72 D HN 0.076 nan 8.370 nan 0.000 0.549 73 P HA -0.194 nan 4.420 nan 0.000 0.215 73 P C 1.334 178.662 177.300 0.046 0.000 1.163 73 P CA 1.745 64.872 63.100 0.044 0.000 0.894 73 P CB 0.274 31.993 31.700 0.031 0.000 0.791 74 R N -0.692 119.832 120.500 0.041 0.000 2.070 74 R HA -0.087 4.229 4.340 -0.040 0.000 0.227 74 R C 2.064 178.393 176.300 0.049 0.000 1.147 74 R CA 1.741 57.864 56.100 0.038 0.000 0.924 74 R CB -1.819 28.499 30.300 0.029 0.000 0.827 74 R HN 0.025 nan 8.270 nan 0.000 0.431 75 N N 1.555 120.283 118.700 0.048 0.000 2.586 75 N HA -0.155 4.560 4.740 -0.040 0.000 0.191 75 N C -0.392 175.172 175.510 0.090 0.000 1.085 75 N CA 1.188 54.271 53.050 0.054 0.000 0.921 75 N CB -0.179 38.333 38.487 0.041 0.000 0.954 75 N HN 0.497 nan 8.380 nan 0.000 0.448 76 S N -2.008 113.749 115.700 0.096 0.000 3.427 76 S HA -0.241 4.205 4.470 -0.040 0.000 0.373 76 S C 0.006 174.698 174.600 0.154 0.000 0.973 76 S CA 0.488 58.762 58.200 0.123 0.000 1.218 76 S CB -2.711 60.581 63.200 0.152 0.000 0.912 76 S HN 0.570 nan 8.310 nan 0.000 0.483 77 S N 0.134 115.915 115.700 0.134 0.000 2.632 77 S HA 0.887 5.333 4.470 -0.040 0.000 0.289 77 S C -0.527 174.192 174.600 0.198 0.000 1.115 77 S CA -0.544 57.736 58.200 0.132 0.000 0.889 77 S CB 1.536 64.766 63.200 0.050 0.000 1.116 77 S HN 1.393 nan 8.310 nan 0.000 0.486 78 W N 1.217 122.527 121.300 0.016 0.000 2.839 78 W HA 0.667 5.302 4.660 -0.042 0.000 0.334 78 W C -0.630 175.895 176.519 0.011 0.000 1.064 78 W CA -0.905 56.449 57.345 0.015 0.000 1.236 78 W CB 0.832 30.304 29.460 0.021 0.000 1.405 78 W HN 0.912 nan 8.180 nan 0.000 0.478 79 S N 2.093 117.864 115.700 0.118 0.000 2.632 79 S HA 0.462 4.908 4.470 -0.040 0.000 0.271 79 S C -0.408 174.218 174.600 0.044 0.000 1.260 79 S CA -0.461 57.710 58.200 -0.048 0.000 1.010 79 S CB 1.688 64.888 63.200 -0.001 0.000 0.965 79 S HN 0.694 nan 8.310 nan 0.000 0.534 80 C N 3.656 122.895 119.300 -0.103 0.000 2.281 80 C HA 0.621 5.057 4.460 -0.040 0.000 0.325 80 C C -1.527 173.441 174.990 -0.037 0.000 1.282 80 C CA -1.749 57.280 59.018 0.019 0.000 1.640 80 C CB 0.472 28.160 27.740 -0.088 0.000 2.288 80 C HN 0.807 nan 8.230 nan 0.000 0.507 81 P HA -0.096 nan 4.420 nan 0.000 0.218 81 P C 1.519 178.678 177.300 -0.234 0.000 1.149 81 P CA 1.287 64.137 63.100 -0.416 0.000 0.817 81 P CB 0.079 31.320 31.700 -0.766 0.000 0.785 82 I N -0.506 120.026 120.570 -0.063 0.000 2.193 82 I HA -0.142 4.004 4.170 -0.040 0.000 0.240 82 I C 2.199 178.331 176.117 0.024 0.000 1.084 82 I CA 1.753 63.065 61.300 0.020 0.000 1.365 82 I CB -1.629 36.403 38.000 0.055 0.000 1.064 82 I HN 0.168 nan 8.210 nan 0.000 0.410 83 C N -0.834 118.468 119.300 0.004 0.000 3.183 83 C HA 0.380 4.815 4.460 -0.040 0.000 0.285 83 C C 1.035 176.012 174.990 -0.022 0.000 1.313 83 C CA -0.383 58.635 59.018 0.000 0.000 1.711 83 C CB -0.547 27.193 27.740 -0.000 0.000 2.135 83 C HN 0.608 nan 8.230 nan 0.000 0.651 84 N N 1.512 120.187 118.700 -0.042 0.000 2.878 84 N HA -0.157 4.559 4.740 -0.040 0.000 0.247 84 N C 0.194 175.658 175.510 -0.078 0.000 1.021 84 N CA 1.461 54.481 53.050 -0.050 0.000 0.873 84 N CB -1.615 36.859 38.487 -0.022 0.000 1.128 84 N HN 0.945 nan 8.380 nan 0.000 0.571 85 S N -0.469 115.161 115.700 -0.117 0.000 2.672 85 S HA 0.600 5.046 4.470 -0.040 0.000 0.276 85 S C 0.560 175.020 174.600 -0.234 0.000 1.207 85 S CA -0.730 57.381 58.200 -0.147 0.000 1.002 85 S CB 2.356 65.471 63.200 -0.141 0.000 0.998 85 S HN 0.194 nan 8.310 nan 0.000 0.542 86 R N 1.010 121.385 120.500 -0.209 0.000 2.637 86 R HA 0.466 4.782 4.340 -0.040 0.000 0.269 86 R C -0.455 175.608 176.300 -0.394 0.000 1.089 86 R CA -0.435 55.516 56.100 -0.248 0.000 1.177 86 R CB 0.267 30.483 30.300 -0.140 0.000 1.091 86 R HN 0.692 nan 8.270 nan 0.000 0.540 87 N N 0.293 118.701 118.700 -0.487 0.000 2.431 87 N HA 0.019 4.735 4.740 -0.040 0.000 0.275 87 N C -1.722 173.648 175.510 -0.234 0.000 1.091 87 N CA -0.690 52.016 53.050 -0.574 0.000 0.922 87 N CB 1.639 39.233 38.487 -1.490 0.000 1.666 87 N HN 0.541 nan 8.380 nan 0.000 0.484 88 H N 1.941 120.956 119.070 -0.093 0.000 3.086 88 H HA 0.188 4.721 4.556 -0.039 0.000 0.265 88 H C -0.138 175.300 175.328 0.183 0.000 1.092 88 H CA -0.091 55.978 56.048 0.035 0.000 1.487 88 H CB 0.162 29.934 29.762 0.017 0.000 1.514 88 H HN 0.396 nan 8.280 nan 0.000 0.497 89 L N 8.749 129.913 121.223 -0.099 0.000 2.700 89 L HA 0.067 4.383 4.340 -0.040 0.000 0.276 89 L C -1.906 174.635 176.870 -0.548 0.000 1.200 89 L CA -0.728 54.075 54.840 -0.061 0.000 0.951 89 L CB 0.096 42.166 42.059 0.020 0.000 1.226 89 L HN 0.653 nan 8.230 nan 0.000 0.489 90 P HA 0.033 nan 4.420 nan 0.000 0.269 90 P C -2.273 174.875 177.300 -0.254 0.000 1.217 90 P CA -1.097 61.794 63.100 -0.348 0.000 0.783 90 P CB 0.097 31.579 31.700 -0.363 0.000 0.898 91 P HA -0.192 nan 4.420 nan 0.000 0.216 91 P C 1.825 179.122 177.300 -0.005 0.000 1.157 91 P CA 1.843 64.934 63.100 -0.016 0.000 0.880 91 P CB -0.200 31.512 31.700 0.019 0.000 0.791 92 Q N -2.619 117.161 119.800 -0.034 0.000 2.439 92 Q HA -0.159 4.157 4.340 -0.040 0.000 0.211 92 Q C 0.608 176.801 176.000 0.321 0.000 0.978 92 Q CA 0.923 56.768 55.803 0.070 0.000 0.897 92 Q CB -0.113 28.630 28.738 0.008 0.000 0.956 92 Q HN 0.333 nan 8.270 nan 0.000 0.483 93 Y N -1.548 118.693 120.300 -0.099 0.000 2.531 93 Y HA 0.243 4.770 4.550 -0.038 0.000 0.249 93 Y C 0.014 175.875 175.900 -0.065 0.000 1.168 93 Y CA -0.316 57.727 58.100 -0.095 0.000 1.226 93 Y CB 0.561 38.949 38.460 -0.121 0.000 1.177 93 Y HN -0.201 nan 8.280 nan 0.000 0.527 94 T N 3.631 118.243 114.554 0.098 0.000 2.795 94 T HA 0.489 4.815 4.350 -0.040 0.000 0.282 94 T C 0.043 174.767 174.700 0.041 0.000 0.980 94 T CA -0.570 61.565 62.100 0.058 0.000 1.012 94 T CB 1.312 70.211 68.868 0.052 0.000 0.936 94 T HN 0.329 nan 8.240 nan 0.000 0.457 100 N N 2.149 120.817 118.700 -0.052 0.000 2.892 100 N HA 0.121 4.837 4.740 -0.040 0.000 0.300 100 N C -0.419 175.033 175.510 -0.097 0.000 1.211 100 N CA 0.833 53.843 53.050 -0.066 0.000 1.158 100 N CB -0.056 38.399 38.487 -0.054 0.000 1.455 100 N HN 0.245 nan 8.380 nan 0.000 0.524 101 M N 0.760 120.295 119.600 -0.109 0.000 2.528 101 M HA 0.414 4.870 4.480 -0.040 0.000 0.318 101 M C -2.122 174.056 176.300 -0.202 0.000 1.195 101 M CA -1.756 53.452 55.300 -0.153 0.000 1.000 101 M CB 1.036 33.564 32.600 -0.121 0.000 1.615 101 M HN -0.066 nan 8.290 nan 0.000 0.469 102 P HA 0.188 nan 4.420 nan 0.000 0.275 102 P C 0.263 177.461 177.300 -0.169 0.000 1.227 102 P CA -0.274 62.608 63.100 -0.363 0.000 0.781 102 P CB 0.598 31.817 31.700 -0.801 0.000 0.906 103 L N 1.844 123.017 121.223 -0.083 0.000 2.043 103 L HA -0.239 4.077 4.340 -0.040 0.000 0.212 103 L C 2.319 179.142 176.870 -0.077 0.000 1.075 103 L CA 1.559 56.353 54.840 -0.077 0.000 0.752 103 L CB -0.824 41.185 42.059 -0.083 0.000 0.891 103 L HN 0.547 nan 8.230 nan 0.000 0.432 104 E N 0.652 120.833 120.200 -0.032 0.000 2.267 104 E HA -0.237 4.088 4.350 -0.040 0.000 0.197 104 E C 2.007 178.594 176.600 -0.022 0.000 0.998 104 E CA 1.330 57.730 56.400 0.001 0.000 0.830 104 E CB -0.426 29.366 29.700 0.153 0.000 0.751 104 E HN 0.568 nan 8.360 nan 0.000 0.491 105 L N 0.141 121.328 121.223 -0.060 0.000 2.554 105 L HA -0.002 4.314 4.340 -0.040 0.000 0.226 105 L C 2.454 179.270 176.870 -0.089 0.000 1.137 105 L CA 0.443 55.236 54.840 -0.079 0.000 0.863 105 L CB -0.018 41.983 42.059 -0.097 0.000 0.985 105 L HN 0.092 nan 8.230 nan 0.000 0.451 106 Q N -1.177 118.571 119.800 -0.086 0.000 2.274 106 Q HA 0.117 4.432 4.340 -0.040 0.000 0.198 106 Q C 0.445 176.394 176.000 -0.085 0.000 0.955 106 Q CA 0.283 56.033 55.803 -0.087 0.000 0.859 106 Q CB 0.513 29.201 28.738 -0.084 0.000 0.956 106 Q HN 0.244 nan 8.270 nan 0.000 0.516 107 S N 1.008 116.661 115.700 -0.079 0.000 2.475 107 S HA 0.081 4.527 4.470 -0.040 0.000 0.281 107 S C 0.928 175.512 174.600 -0.026 0.000 1.198 107 S CA -0.318 57.838 58.200 -0.074 0.000 1.063 107 S CB 1.460 64.597 63.200 -0.105 0.000 0.972 107 S HN 0.410 nan 8.310 nan 0.000 0.486 108 T N -0.137 114.417 114.554 0.001 0.000 2.995 108 T HA 0.001 4.327 4.350 -0.040 0.000 0.269 108 T C 0.649 175.418 174.700 0.115 0.000 1.091 108 T CA 0.667 62.829 62.100 0.103 0.000 1.128 108 T CB -0.117 68.846 68.868 0.157 0.000 0.891 108 T HN 0.475 nan 8.240 nan 0.000 0.492 109 T N 1.575 116.144 114.554 0.024 0.000 2.890 109 T HA 0.709 5.035 4.350 -0.040 0.000 0.295 109 T C -1.090 173.570 174.700 -0.067 0.000 0.993 109 T CA -0.606 61.505 62.100 0.019 0.000 0.979 109 T CB 1.425 70.269 68.868 -0.040 0.000 0.967 109 T HN 0.397 nan 8.240 nan 0.000 0.441 110 I N 2.004 122.564 120.570 -0.015 0.000 3.095 110 I HA 0.599 4.745 4.170 -0.040 0.000 0.310 110 I C -1.413 174.660 176.117 -0.074 0.000 1.196 110 I CA -0.918 60.314 61.300 -0.112 0.000 0.985 110 I CB 2.553 40.421 38.000 -0.220 0.000 1.250 110 I HN 0.499 nan 8.210 nan 0.000 0.446 111 E N 3.270 123.374 120.200 -0.160 0.000 2.210 111 E HA 0.406 4.732 4.350 -0.040 0.000 0.266 111 E C -1.976 174.479 176.600 -0.241 0.000 0.883 111 E CA -0.502 55.860 56.400 -0.064 0.000 0.761 111 E CB 1.450 31.165 29.700 0.024 0.000 1.156 111 E HN 0.443 nan 8.360 nan 0.000 0.412 112 Y N 2.741 123.006 120.300 -0.059 0.000 2.453 112 Y HA 0.443 4.968 4.550 -0.041 0.000 0.326 112 Y C 0.238 176.059 175.900 -0.132 0.000 1.186 112 Y CA -0.724 57.292 58.100 -0.140 0.000 1.200 112 Y CB 1.323 39.722 38.460 -0.101 0.000 1.247 112 Y HN 0.418 nan 8.280 nan 0.000 0.482 113 I N 2.544 123.116 120.570 0.004 0.000 2.502 113 I HA 0.156 4.302 4.170 -0.040 0.000 0.276 113 I C -0.411 175.706 176.117 -0.000 0.000 1.057 113 I CA -0.388 60.888 61.300 -0.041 0.000 1.163 113 I CB 0.713 38.663 38.000 -0.082 0.000 1.288 113 I HN 0.653 nan 8.210 nan 0.000 0.479 114 T N 3.722 118.277 114.554 0.002 0.000 2.855 114 T HA -0.038 4.288 4.350 -0.040 0.000 0.322 114 T C 1.444 176.147 174.700 0.005 0.000 1.088 114 T CA -0.000 62.104 62.100 0.008 0.000 1.104 114 T CB 0.352 69.212 68.868 -0.014 0.000 0.996 114 T HN 0.661 nan 8.240 nan 0.000 0.549 115 N N 0.555 119.265 118.700 0.016 0.000 2.280 115 N HA -0.028 4.688 4.740 -0.040 0.000 0.192 115 N C 0.225 175.738 175.510 0.005 0.000 1.109 115 N CA -0.049 53.010 53.050 0.015 0.000 0.855 115 N CB 0.099 38.603 38.487 0.028 0.000 0.974 115 N HN 0.464 nan 8.380 nan 0.000 0.482 116 K N 2.845 123.244 120.400 -0.002 0.000 2.416 116 K HA 0.137 4.433 4.320 -0.040 0.000 0.283 116 K C -2.192 174.403 176.600 -0.008 0.000 1.037 116 K CA -1.241 55.043 56.287 -0.005 0.000 0.995 116 K CB 0.721 33.216 32.500 -0.008 0.000 0.938 116 K HN 0.111 nan 8.250 nan 0.000 0.475 117 P HA 0.025 nan 4.420 nan 0.000 0.278 117 P C 0.340 177.638 177.300 -0.004 0.000 1.258 117 P CA -0.433 62.665 63.100 -0.004 0.000 0.811 117 P CB 1.259 32.961 31.700 0.003 0.000 1.063 118 V N 0.105 120.016 119.914 -0.005 0.000 2.426 118 V HA -0.101 3.995 4.120 -0.040 0.000 0.242 118 V C 1.890 177.986 176.094 0.003 0.000 1.036 118 V CA 2.628 64.926 62.300 -0.004 0.000 1.044 118 V CB -1.772 30.047 31.823 -0.006 0.000 0.688 118 V HN 0.968 nan 8.190 nan 0.000 0.462 119 T N -3.131 111.428 114.554 0.008 0.000 6.974 119 T HA -0.214 4.111 4.350 -0.040 0.000 0.287 119 T C -0.115 174.601 174.700 0.026 0.000 2.146 119 T CA 0.851 62.962 62.100 0.019 0.000 3.451 119 T CB -2.012 66.869 68.868 0.023 0.000 1.630 119 T HN 0.564 nan 8.240 nan 0.000 1.173 120 V N 1.860 121.779 119.914 0.008 0.000 2.711 120 V HA 0.642 4.738 4.120 -0.040 0.000 0.304 120 V C -2.344 173.718 176.094 -0.052 0.000 1.097 120 V CA -1.669 60.628 62.300 -0.006 0.000 0.906 120 V CB 2.232 34.053 31.823 -0.004 0.000 1.015 120 V HN 0.186 nan 8.190 nan 0.000 0.427 121 P HA 0.315 nan 4.420 nan 0.000 0.274 121 P C -2.681 174.540 177.300 -0.132 0.000 1.260 121 P CA -1.252 61.825 63.100 -0.037 0.000 0.793 121 P CB -0.100 31.609 31.700 0.015 0.000 1.048 122 P HA 0.197 nan 4.420 nan 0.000 0.275 122 P C -0.672 176.406 177.300 -0.370 0.000 1.228 122 P CA 0.438 63.362 63.100 -0.294 0.000 0.786 122 P CB 0.591 32.280 31.700 -0.018 0.000 0.927 123 I N 2.752 122.891 120.570 -0.718 0.000 2.406 123 I HA 0.342 4.488 4.170 -0.040 0.000 0.290 123 I C -0.368 175.317 176.117 -0.720 0.000 0.999 123 I CA -0.692 60.258 61.300 -0.585 0.000 1.124 123 I CB 0.862 38.435 38.000 -0.710 0.000 1.289 123 I HN 0.145 nan 8.210 nan 0.000 0.441 124 F N 6.548 126.460 119.950 -0.062 0.000 2.445 124 F HA 0.383 4.885 4.527 -0.041 0.000 0.348 124 F C -0.439 175.328 175.800 -0.055 0.000 1.125 124 F CA -0.628 57.315 58.000 -0.095 0.000 0.983 124 F CB 1.382 40.324 39.000 -0.097 0.000 1.198 124 F HN 0.264 nan 8.300 nan 0.000 0.436 125 F N 5.606 125.496 119.950 -0.101 0.000 2.325 125 F HA 0.515 5.018 4.527 -0.041 0.000 0.369 125 F C -1.187 174.609 175.800 -0.006 0.000 1.095 125 F CA -2.527 55.515 58.000 0.070 0.000 1.082 125 F CB 0.061 39.165 39.000 0.173 0.000 1.289 125 F HN 0.189 nan 8.300 nan 0.000 0.462 126 F N 4.623 124.933 119.950 0.600 0.000 2.427 126 F HA 0.430 4.933 4.527 -0.040 0.000 0.352 126 F C 0.179 176.131 175.800 0.253 0.000 1.100 126 F CA -0.670 57.569 58.000 0.399 0.000 1.191 126 F CB 0.906 40.194 39.000 0.480 0.000 1.128 126 F HN 0.009 nan 8.300 nan 0.000 0.533 127 V N 4.660 124.748 119.914 0.290 0.000 2.326 127 V HA 0.353 4.449 4.120 -0.040 0.000 0.281 127 V C -0.461 175.874 176.094 0.403 0.000 1.015 127 V CA -0.766 61.673 62.300 0.232 0.000 0.823 127 V CB 1.239 33.072 31.823 0.017 0.000 1.009 127 V HN 0.515 nan 8.190 nan 0.000 0.436 128 V N 3.294 123.461 119.914 0.422 0.000 2.370 128 V HA 0.352 4.448 4.120 -0.040 0.000 0.283 128 V C -0.075 176.038 176.094 0.031 0.000 1.023 128 V CA -0.567 61.908 62.300 0.293 0.000 0.857 128 V CB 1.828 33.750 31.823 0.165 0.000 0.985 128 V HN 0.888 nan 8.190 nan 0.000 0.443 129 D N 4.104 124.436 120.400 -0.113 0.000 2.336 129 D HA 0.213 4.829 4.640 -0.040 0.000 0.249 129 D C 0.736 176.875 176.300 -0.269 0.000 1.213 129 D CA 0.029 53.707 54.000 -0.536 0.000 0.870 129 D CB 1.101 41.757 40.800 -0.239 0.000 1.076 129 D HN 0.470 nan 8.370 nan 0.000 0.483 130 L N 2.846 123.896 121.223 -0.288 0.000 2.591 130 L HA 0.038 4.353 4.340 -0.040 0.000 0.228 130 L C 1.532 178.362 176.870 -0.067 0.000 1.133 130 L CA 0.400 55.170 54.840 -0.116 0.000 0.880 130 L CB -0.312 41.711 42.059 -0.060 0.000 1.033 130 L HN 0.493 nan 8.230 nan 0.000 0.450 131 T N -2.605 111.894 114.554 -0.092 0.000 3.535 131 T HA 0.163 4.489 4.350 -0.040 0.000 0.238 131 T C 0.495 175.201 174.700 0.009 0.000 0.909 131 T CA -0.402 61.683 62.100 -0.025 0.000 0.928 131 T CB -0.570 68.283 68.868 -0.026 0.000 1.134 131 T HN 0.220 nan 8.240 nan 0.000 0.627 132 S N -0.398 115.315 115.700 0.023 0.000 2.566 132 S HA 0.551 4.997 4.470 -0.040 0.000 0.298 132 S C -0.449 174.183 174.600 0.053 0.000 1.083 132 S CA -1.168 57.062 58.200 0.049 0.000 0.978 132 S CB 1.515 64.770 63.200 0.092 0.000 1.073 132 S HN 0.489 nan 8.310 nan 0.000 0.491 133 E N 0.968 121.202 120.200 0.057 0.000 2.459 133 E HA 0.059 4.385 4.350 -0.040 0.000 0.264 133 E C 0.836 177.462 176.600 0.043 0.000 1.055 133 E CA 0.343 56.777 56.400 0.057 0.000 0.957 133 E CB 0.213 29.946 29.700 0.055 0.000 0.952 133 E HN 0.703 nan 8.360 nan 0.000 0.448 134 T N 1.599 116.173 114.554 0.034 0.000 2.597 134 T HA -0.294 4.031 4.350 -0.040 0.000 0.267 134 T C 1.696 176.399 174.700 0.006 0.000 1.053 134 T CA 1.918 64.024 62.100 0.010 0.000 1.165 134 T CB -0.194 68.671 68.868 -0.005 0.000 0.863 134 T HN 0.650 nan 8.240 nan 0.000 0.427 135 E N 0.943 121.152 120.200 0.015 0.000 2.110 135 E HA -0.186 4.139 4.350 -0.040 0.000 0.193 135 E C 2.354 178.972 176.600 0.029 0.000 0.988 135 E CA 0.908 57.318 56.400 0.017 0.000 0.804 135 E CB -0.166 29.548 29.700 0.023 0.000 0.745 135 E HN 0.360 nan 8.360 nan 0.000 0.458 136 N N 0.409 119.136 118.700 0.045 0.000 2.104 136 N HA -0.175 4.540 4.740 -0.040 0.000 0.190 136 N C 1.981 177.550 175.510 0.098 0.000 1.024 136 N CA 1.067 54.164 53.050 0.077 0.000 0.853 136 N CB -0.097 38.431 38.487 0.069 0.000 1.008 136 N HN 0.225 nan 8.380 nan 0.000 0.424 137 L N 1.768 123.013 121.223 0.037 0.000 2.044 137 L HA -0.065 4.251 4.340 -0.040 0.000 0.205 137 L C 1.489 178.307 176.870 -0.086 0.000 1.075 137 L CA 1.766 56.585 54.840 -0.035 0.000 0.747 137 L CB -0.754 41.286 42.059 -0.031 0.000 0.903 137 L HN 0.038 nan 8.230 nan 0.000 0.435 138 D N -1.338 119.030 120.400 -0.053 0.000 2.219 138 D HA -0.158 4.458 4.640 -0.040 0.000 0.205 138 D C 2.285 178.546 176.300 -0.064 0.000 0.970 138 D CA 1.272 55.233 54.000 -0.065 0.000 0.851 138 D CB 0.012 40.786 40.800 -0.043 0.000 0.943 138 D HN 0.387 nan 8.370 nan 0.000 0.488 139 S N 0.365 116.047 115.700 -0.030 0.000 2.356 139 S HA -0.135 4.311 4.470 -0.040 0.000 0.223 139 S C 1.886 176.459 174.600 -0.045 0.000 1.032 139 S CA 0.552 58.754 58.200 0.004 0.000 1.005 139 S CB -0.204 63.036 63.200 0.066 0.000 0.867 139 S HN 0.165 nan 8.310 nan 0.000 0.449 140 L N 1.592 122.711 121.223 -0.173 0.000 2.046 140 L HA 0.032 4.347 4.340 -0.040 0.000 0.208 140 L C 2.135 178.747 176.870 -0.430 0.000 1.077 140 L CA 1.951 56.513 54.840 -0.463 0.000 0.747 140 L CB -0.787 40.730 42.059 -0.904 0.000 0.896 140 L HN 0.179 nan 8.230 nan 0.000 0.432 141 K N -0.271 119.939 120.400 -0.316 0.000 2.044 141 K HA -0.202 4.094 4.320 -0.040 0.000 0.210 141 K C 2.037 178.504 176.600 -0.221 0.000 1.049 141 K CA 2.072 58.195 56.287 -0.274 0.000 0.927 141 K CB -0.258 32.125 32.500 -0.194 0.000 0.713 141 K HN 0.461 nan 8.250 nan 0.000 0.443 142 E N 0.301 120.411 120.200 -0.149 0.000 2.038 142 E HA -0.190 4.136 4.350 -0.040 0.000 0.195 142 E C 2.223 178.769 176.600 -0.090 0.000 1.000 142 E CA 1.522 57.862 56.400 -0.100 0.000 0.803 142 E CB -0.131 29.538 29.700 -0.051 0.000 0.750 142 E HN 0.200 nan 8.360 nan 0.000 0.448 143 S N 1.061 116.720 115.700 -0.068 0.000 2.365 143 S HA -0.185 4.261 4.470 -0.040 0.000 0.225 143 S C 2.105 176.709 174.600 0.008 0.000 1.039 143 S CA 1.074 59.280 58.200 0.011 0.000 1.033 143 S CB -0.304 62.935 63.200 0.065 0.000 0.887 143 S HN 0.217 nan 8.310 nan 0.000 0.447 144 I N 1.129 121.569 120.570 -0.215 0.000 2.179 144 I HA -0.189 3.957 4.170 -0.040 0.000 0.242 144 I C 2.107 178.077 176.117 -0.245 0.000 1.088 144 I CA 1.253 62.385 61.300 -0.281 0.000 1.357 144 I CB -0.417 37.237 38.000 -0.576 0.000 1.051 144 I HN 0.259 nan 8.210 nan 0.000 0.409 145 I N 0.379 120.817 120.570 -0.219 0.000 2.226 145 I HA -0.275 3.870 4.170 -0.040 0.000 0.245 145 I C 2.529 178.560 176.117 -0.143 0.000 1.100 145 I CA 1.591 62.783 61.300 -0.181 0.000 1.374 145 I CB -0.616 37.293 38.000 -0.151 0.000 1.057 145 I HN 0.257 nan 8.210 nan 0.000 0.413 146 T N 0.266 114.757 114.554 -0.106 0.000 2.759 146 T HA -0.166 4.160 4.350 -0.040 0.000 0.269 146 T C 1.982 176.595 174.700 -0.145 0.000 1.042 146 T CA 1.806 63.852 62.100 -0.090 0.000 1.140 146 T CB -0.343 68.500 68.868 -0.042 0.000 0.864 146 T HN 0.535 nan 8.240 nan 0.000 0.455 147 S N 1.236 116.829 115.700 -0.179 0.000 2.481 147 S HA 0.096 4.542 4.470 -0.040 0.000 0.231 147 S C 1.976 176.281 174.600 -0.493 0.000 0.996 147 S CA 0.388 58.325 58.200 -0.439 0.000 0.942 147 S CB -0.653 62.209 63.200 -0.563 0.000 0.768 147 S HN 0.439 nan 8.310 nan 0.000 0.520 148 L N 2.073 123.122 121.223 -0.290 0.000 2.095 148 L HA -0.023 4.292 4.340 -0.040 0.000 0.204 148 L C 3.032 179.791 176.870 -0.185 0.000 1.080 148 L CA 1.289 55.994 54.840 -0.225 0.000 0.759 148 L CB -0.874 41.096 42.059 -0.149 0.000 0.914 148 L HN 0.544 nan 8.230 nan 0.000 0.439 149 S N 0.059 115.668 115.700 -0.150 0.000 2.469 149 S HA -0.116 4.329 4.470 -0.040 0.000 0.238 149 S C 1.746 176.280 174.600 -0.111 0.000 0.998 149 S CA 0.874 59.013 58.200 -0.103 0.000 0.957 149 S CB -0.502 62.651 63.200 -0.079 0.000 0.764 149 S HN 0.411 nan 8.310 nan 0.000 0.514 150 L N 0.197 121.312 121.223 -0.180 0.000 2.509 150 L HA 0.369 4.685 4.340 -0.040 0.000 0.222 150 L C 0.563 177.340 176.870 -0.155 0.000 1.123 150 L CA 0.018 54.763 54.840 -0.159 0.000 0.856 150 L CB -0.203 41.736 42.059 -0.199 0.000 0.985 150 L HN 0.257 nan 8.230 nan 0.000 0.456 151 L N -0.089 121.005 121.223 -0.215 0.000 2.399 151 L HA 0.355 4.671 4.340 -0.040 0.000 0.265 151 L C -2.063 174.786 176.870 -0.035 0.000 1.089 151 L CA -2.024 52.712 54.840 -0.173 0.000 0.802 151 L CB 0.400 42.258 42.059 -0.334 0.000 1.180 151 L HN -0.235 nan 8.230 nan 0.000 0.454 152 P HA 0.110 nan 4.420 nan 0.000 0.269 152 P C -2.150 175.194 177.300 0.074 0.000 1.209 152 P CA -1.009 62.146 63.100 0.092 0.000 0.776 152 P CB 0.164 31.955 31.700 0.152 0.000 0.876 153 P HA -0.166 nan 4.420 nan 0.000 0.219 153 P C 0.833 178.177 177.300 0.073 0.000 1.146 153 P CA 1.367 64.503 63.100 0.059 0.000 0.808 153 P CB -0.178 31.555 31.700 0.054 0.000 0.779 154 N N -0.865 117.887 118.700 0.086 0.000 2.299 154 N HA 0.064 4.780 4.740 -0.040 0.000 0.187 154 N C 0.396 175.970 175.510 0.107 0.000 1.099 154 N CA -0.014 53.088 53.050 0.087 0.000 0.867 154 N CB -0.732 37.800 38.487 0.075 0.000 0.974 154 N HN -0.105 nan 8.380 nan 0.000 0.477 155 A N 1.559 124.468 122.820 0.149 0.000 2.567 155 A HA 0.234 4.530 4.320 -0.040 0.000 0.240 155 A C 0.380 178.084 177.584 0.200 0.000 1.053 155 A CA -0.208 51.966 52.037 0.229 0.000 0.755 155 A CB -0.205 19.014 19.000 0.365 0.000 0.978 155 A HN 0.391 nan 8.150 nan 0.000 0.507 156 L N 3.479 124.790 121.223 0.146 0.000 2.380 156 L HA 0.283 4.598 4.340 -0.040 0.000 0.273 156 L C -0.176 176.842 176.870 0.246 0.000 1.138 156 L CA -0.385 54.541 54.840 0.143 0.000 0.832 156 L CB 0.447 42.526 42.059 0.033 0.000 1.124 156 L HN 0.493 nan 8.230 nan 0.000 0.454 157 I N 2.126 122.857 120.570 0.269 0.000 2.474 157 I HA 0.585 4.730 4.170 -0.040 0.000 0.294 157 I C 0.459 176.749 176.117 0.289 0.000 1.005 157 I CA -0.280 61.223 61.300 0.338 0.000 1.113 157 I CB 1.487 39.680 38.000 0.321 0.000 1.289 157 I HN 0.585 nan 8.210 nan 0.000 0.436 158 G N 4.992 113.993 108.800 0.334 0.000 2.533 158 G HA2 0.731 4.667 3.960 -0.040 0.000 0.304 158 G HA3 0.731 4.667 3.960 -0.040 0.000 0.304 158 G C -1.953 173.220 174.900 0.455 0.000 1.263 158 G CA -0.483 44.637 45.100 0.034 0.000 0.964 158 G HN 0.441 nan 8.290 nan 0.000 0.479 159 L N 0.848 122.345 121.223 0.457 0.000 2.505 159 L HA 0.725 5.041 4.340 -0.040 0.000 0.266 159 L C -1.345 175.950 176.870 0.709 0.000 0.954 159 L CA -0.578 54.655 54.840 0.656 0.000 0.852 159 L CB 1.725 44.039 42.059 0.424 0.000 1.282 159 L HN 0.502 nan 8.230 nan 0.000 0.403 160 I N 3.134 124.085 120.570 0.634 0.000 2.646 160 I HA 0.567 4.712 4.170 -0.040 0.000 0.299 160 I C -0.509 175.878 176.117 0.451 0.000 1.036 160 I CA -0.511 61.070 61.300 0.468 0.000 1.074 160 I CB 2.492 40.646 38.000 0.257 0.000 1.258 160 I HN 0.561 nan 8.210 nan 0.000 0.430 161 T N 4.866 119.676 114.554 0.426 0.000 2.881 161 T HA 0.613 4.939 4.350 -0.040 0.000 0.290 161 T C -1.490 173.417 174.700 0.345 0.000 1.000 161 T CA -0.390 61.937 62.100 0.378 0.000 0.978 161 T CB 0.954 70.119 68.868 0.494 0.000 0.997 161 T HN 0.485 nan 8.240 nan 0.000 0.443 162 Y N 1.302 121.686 120.300 0.140 0.000 2.625 162 Y HA 0.870 5.395 4.550 -0.040 0.000 0.338 162 Y C 0.009 175.967 175.900 0.097 0.000 1.123 162 Y CA -0.588 57.579 58.100 0.111 0.000 1.046 162 Y CB 1.045 39.565 38.460 0.101 0.000 1.299 162 Y HN 0.725 nan 8.280 nan 0.000 0.464 163 G N 0.978 109.888 108.800 0.184 0.000 3.554 163 G HA2 0.043 3.979 3.960 -0.040 0.000 0.168 163 G HA3 0.043 3.979 3.960 -0.040 0.000 0.168 163 G C -0.357 174.660 174.900 0.195 0.000 1.271 163 G CA -0.196 44.950 45.100 0.077 0.000 1.339 163 G HN 0.874 nan 8.290 nan 0.000 0.731 164 N N -0.271 118.504 118.700 0.125 0.000 2.446 164 N HA 0.165 4.881 4.740 -0.040 0.000 0.179 164 N C 0.692 176.281 175.510 0.131 0.000 1.054 164 N CA 0.960 54.077 53.050 0.111 0.000 0.905 164 N CB 0.458 38.983 38.487 0.064 0.000 0.973 164 N HN 0.626 nan 8.380 nan 0.000 0.448 165 V N -2.278 117.729 119.914 0.155 0.000 3.074 165 V HA 0.734 4.829 4.120 -0.040 0.000 0.314 165 V C -0.102 176.124 176.094 0.219 0.000 1.117 165 V CA -1.370 61.030 62.300 0.165 0.000 1.014 165 V CB 1.625 33.523 31.823 0.124 0.000 1.057 165 V HN 0.010 nan 8.190 nan 0.000 0.438 166 V N 0.259 120.309 119.914 0.227 0.000 2.459 166 V HA 0.708 4.804 4.120 -0.040 0.000 0.295 166 V C -0.596 175.637 176.094 0.232 0.000 1.029 166 V CA -0.409 62.037 62.300 0.244 0.000 0.874 166 V CB 1.073 32.990 31.823 0.157 0.000 0.985 166 V HN 1.032 nan 8.190 nan 0.000 0.438 167 Q N 4.173 124.077 119.800 0.173 0.000 2.348 167 Q HA 0.617 4.933 4.340 -0.040 0.000 0.265 167 Q C -1.073 174.884 176.000 -0.071 0.000 0.998 167 Q CA -0.611 55.192 55.803 0.001 0.000 0.831 167 Q CB 2.418 31.106 28.738 -0.084 0.000 1.251 167 Q HN 0.825 nan 8.270 nan 0.000 0.456 168 L N 3.924 125.127 121.223 -0.032 0.000 2.262 168 L HA 0.295 4.611 4.340 -0.040 0.000 0.288 168 L C -0.877 175.972 176.870 -0.035 0.000 1.035 168 L CA -0.233 54.631 54.840 0.039 0.000 0.820 168 L CB 0.349 42.468 42.059 0.099 0.000 1.204 168 L HN 0.594 nan 8.230 nan 0.000 0.424 169 H N 2.945 122.164 119.070 0.248 0.000 2.548 169 H HA 0.281 4.812 4.556 -0.040 0.000 0.331 169 H C -0.968 174.518 175.328 0.264 0.000 1.093 169 H CA -0.372 55.807 56.048 0.218 0.000 1.367 169 H CB 1.606 31.461 29.762 0.154 0.000 1.455 169 H HN 0.528 nan 8.280 nan 0.000 0.519 170 D N 3.492 124.041 120.400 0.248 0.000 2.462 170 D HA 0.148 4.764 4.640 -0.040 0.000 0.245 170 D C -0.442 175.841 176.300 -0.029 0.000 1.122 170 D CA -0.583 53.406 54.000 -0.018 0.000 0.864 170 D CB 0.723 41.425 40.800 -0.163 0.000 1.098 170 D HN 0.250 nan 8.370 nan 0.000 0.541 171 L N 3.071 124.264 121.223 -0.051 0.000 3.017 171 L HA 0.178 4.493 4.340 -0.040 0.000 0.255 171 L C 1.930 178.762 176.870 -0.063 0.000 1.247 171 L CA -0.002 54.820 54.840 -0.029 0.000 1.038 171 L CB 0.143 42.204 42.059 0.003 0.000 1.380 171 L HN 0.422 nan 8.230 nan 0.000 0.548 172 S N -2.748 112.874 115.700 -0.129 0.000 2.489 172 S HA 0.038 4.483 4.470 -0.040 0.000 0.228 172 S C 1.146 175.683 174.600 -0.104 0.000 0.995 172 S CA 0.483 58.604 58.200 -0.132 0.000 0.934 172 S CB 0.005 63.078 63.200 -0.211 0.000 0.771 172 S HN 0.410 nan 8.310 nan 0.000 0.522 173 S N 0.613 116.256 115.700 -0.095 0.000 2.768 173 S HA 0.377 4.823 4.470 -0.040 0.000 0.300 173 S C 0.464 175.041 174.600 -0.039 0.000 1.122 173 S CA -0.700 57.455 58.200 -0.075 0.000 0.995 173 S CB 1.054 64.200 63.200 -0.089 0.000 1.195 173 S HN 0.303 nan 8.310 nan 0.000 0.547 174 E N 0.713 120.894 120.200 -0.031 0.000 2.511 174 E HA 0.057 4.382 4.350 -0.040 0.000 0.196 174 E C 0.105 176.704 176.600 -0.001 0.000 1.066 174 E CA 0.352 56.745 56.400 -0.011 0.000 0.871 174 E CB -0.199 29.493 29.700 -0.014 0.000 0.863 174 E HN 0.747 nan 8.360 nan 0.000 0.520 175 T N -1.430 113.120 114.554 -0.007 0.000 2.910 175 T HA 0.239 4.565 4.350 -0.040 0.000 0.293 175 T C 1.358 176.066 174.700 0.014 0.000 1.015 175 T CA -0.573 61.528 62.100 0.002 0.000 1.094 175 T CB 1.380 70.245 68.868 -0.004 0.000 0.968 175 T HN -0.062 nan 8.240 nan 0.000 0.521 176 I N 0.628 121.211 120.570 0.022 0.000 2.399 176 I HA -0.115 4.031 4.170 -0.040 0.000 0.254 176 I C 0.852 176.985 176.117 0.026 0.000 1.146 176 I CA 1.530 62.846 61.300 0.026 0.000 1.412 176 I CB -0.266 37.747 38.000 0.023 0.000 1.076 176 I HN 0.794 nan 8.210 nan 0.000 0.432 177 D N -1.038 119.382 120.400 0.033 0.000 2.951 177 D HA 0.160 4.776 4.640 -0.040 0.000 0.262 177 D C -0.892 175.439 176.300 0.052 0.000 1.110 177 D CA -0.567 53.468 54.000 0.057 0.000 0.724 177 D CB 0.949 41.811 40.800 0.104 0.000 1.516 177 D HN -0.137 nan 8.370 nan 0.000 0.447 178 R N 2.095 122.629 120.500 0.058 0.000 2.402 178 R HA 0.393 4.709 4.340 -0.040 0.000 0.290 178 R C -0.828 175.517 176.300 0.074 0.000 1.321 178 R CA -0.632 55.492 56.100 0.041 0.000 1.283 178 R CB 0.952 31.255 30.300 0.004 0.000 1.111 178 R HN 0.403 nan 8.270 nan 0.000 0.578 179 C N 3.775 123.107 119.300 0.053 0.000 2.416 179 C HA 0.225 4.660 4.460 -0.040 0.000 0.355 179 C C 0.117 175.065 174.990 -0.070 0.000 1.211 179 C CA -0.658 58.353 59.018 -0.012 0.000 1.699 179 C CB -0.795 26.945 27.740 -0.000 0.000 2.310 179 C HN 0.641 nan 8.230 nan 0.000 0.539 180 N N 5.228 123.871 118.700 -0.096 0.000 2.437 180 N HA 0.191 4.907 4.740 -0.040 0.000 0.243 180 N C -0.540 174.707 175.510 -0.439 0.000 1.041 180 N CA -0.087 52.801 53.050 -0.269 0.000 0.940 180 N CB 1.504 39.840 38.487 -0.250 0.000 1.133 180 N HN 0.480 nan 8.380 nan 0.000 0.506 181 V N 4.074 123.748 119.914 -0.401 0.000 2.406 181 V HA 0.387 4.482 4.120 -0.040 0.000 0.272 181 V C 0.073 175.941 176.094 -0.377 0.000 1.043 181 V CA -0.323 61.816 62.300 -0.268 0.000 0.915 181 V CB -0.397 31.360 31.823 -0.110 0.000 0.988 181 V HN 0.364 nan 8.190 nan 0.000 0.466 182 F N 2.790 122.716 119.950 -0.041 0.000 2.572 182 F HA 0.656 5.159 4.527 -0.040 0.000 0.342 182 F C 0.808 176.675 175.800 0.111 0.000 1.064 182 F CA -1.161 56.821 58.000 -0.031 0.000 1.008 182 F CB 1.078 39.946 39.000 -0.220 0.000 1.303 182 F HN 0.252 nan 8.300 nan 0.000 0.492 183 R N -0.252 120.556 120.500 0.513 0.000 2.357 183 R HA 0.347 4.662 4.340 -0.040 0.000 0.296 183 R C 0.869 177.332 176.300 0.272 0.000 1.052 183 R CA -0.039 56.258 56.100 0.329 0.000 0.988 183 R CB 0.774 31.228 30.300 0.256 0.000 1.025 183 R HN 0.943 nan 8.270 nan 0.000 0.469 184 G N 1.124 110.019 108.800 0.158 0.000 2.880 184 G HA2 -0.133 3.803 3.960 -0.040 0.000 0.209 184 G HA3 -0.133 3.803 3.960 -0.040 0.000 0.209 184 G C 0.333 175.254 174.900 0.034 0.000 1.157 184 G CA 0.006 45.167 45.100 0.103 0.000 0.779 184 G HN 0.718 nan 8.290 nan 0.000 0.539 185 D N -0.747 119.666 120.400 0.022 0.000 2.559 185 D HA 0.144 4.760 4.640 -0.040 0.000 0.234 185 D C 0.540 176.790 176.300 -0.084 0.000 1.226 185 D CA -0.489 53.488 54.000 -0.038 0.000 0.830 185 D CB 0.365 41.149 40.800 -0.026 0.000 1.028 185 D HN 0.281 nan 8.370 nan 0.000 0.492 186 R N 0.043 120.480 120.500 -0.106 0.000 2.771 186 R HA 0.330 4.646 4.340 -0.040 0.000 0.274 186 R C -1.328 174.849 176.300 -0.205 0.000 0.987 186 R CA -0.567 55.393 56.100 -0.232 0.000 0.908 186 R CB 1.795 31.815 30.300 -0.467 0.000 1.213 186 R HN -0.075 nan 8.270 nan 0.000 0.468 187 E N 3.381 123.466 120.200 -0.191 0.000 2.373 187 E HA 0.149 4.475 4.350 -0.040 0.000 0.233 187 E C -1.005 175.569 176.600 -0.044 0.000 1.035 187 E CA -0.498 55.870 56.400 -0.053 0.000 0.930 187 E CB 0.175 29.882 29.700 0.011 0.000 1.278 187 E HN 0.420 nan 8.360 nan 0.000 0.452 188 Y N 1.017 121.308 120.300 -0.015 0.000 2.757 188 Y HA -0.131 4.395 4.550 -0.040 0.000 0.344 188 Y C 1.075 176.963 175.900 -0.019 0.000 1.263 188 Y CA 0.692 58.781 58.100 -0.018 0.000 1.493 188 Y CB 0.409 38.834 38.460 -0.058 0.000 1.342 188 Y HN 0.394 nan 8.280 nan 0.000 0.627 189 Q N 1.009 120.905 119.800 0.160 0.000 2.297 189 Q HA 0.247 4.563 4.340 -0.040 0.000 0.269 189 Q C 0.678 176.726 176.000 0.081 0.000 1.051 189 Q CA -0.930 54.925 55.803 0.087 0.000 0.869 189 Q CB 1.508 30.281 28.738 0.058 0.000 1.346 189 Q HN 0.644 nan 8.270 nan 0.000 0.457 190 L N 1.307 122.560 121.223 0.050 0.000 2.081 190 L HA -0.227 4.089 4.340 -0.040 0.000 0.212 190 L C 1.902 178.802 176.870 0.050 0.000 1.080 190 L CA 2.037 56.902 54.840 0.041 0.000 0.754 190 L CB -0.333 41.745 42.059 0.033 0.000 0.893 190 L HN 0.798 nan 8.230 nan 0.000 0.433 191 E N -1.000 119.232 120.200 0.053 0.000 2.028 191 E HA -0.196 4.130 4.350 -0.040 0.000 0.191 191 E C 2.160 178.804 176.600 0.073 0.000 0.988 191 E CA 1.043 57.475 56.400 0.054 0.000 0.799 191 E CB -0.192 29.536 29.700 0.046 0.000 0.755 191 E HN 0.584 nan 8.360 nan 0.000 0.447 192 A N 1.361 124.239 122.820 0.097 0.000 1.873 192 A HA -0.226 4.070 4.320 -0.040 0.000 0.218 192 A C 2.243 179.907 177.584 0.133 0.000 1.193 192 A CA 1.652 53.770 52.037 0.135 0.000 0.629 192 A CB -0.999 18.126 19.000 0.208 0.000 0.826 192 A HN 0.415 nan 8.150 nan 0.000 0.447 193 L N -0.520 120.769 121.223 0.109 0.000 2.043 193 L HA -0.189 4.127 4.340 -0.040 0.000 0.212 193 L C 2.547 179.464 176.870 0.079 0.000 1.075 193 L CA 2.538 57.410 54.840 0.053 0.000 0.752 193 L CB -0.484 41.538 42.059 -0.063 0.000 0.891 193 L HN 0.421 nan 8.230 nan 0.000 0.432 194 T N -1.135 113.462 114.554 0.071 0.000 2.821 194 T HA -0.207 4.119 4.350 -0.040 0.000 0.267 194 T C 1.719 176.474 174.700 0.091 0.000 1.046 194 T CA 1.444 63.593 62.100 0.082 0.000 1.139 194 T CB -0.160 68.749 68.868 0.067 0.000 0.871 194 T HN 0.459 nan 8.240 nan 0.000 0.454 195 E N 0.718 120.967 120.200 0.082 0.000 2.072 195 E HA -0.088 4.238 4.350 -0.040 0.000 0.191 195 E C 2.101 178.751 176.600 0.084 0.000 0.985 195 E CA 0.915 57.359 56.400 0.073 0.000 0.801 195 E CB -0.120 29.619 29.700 0.065 0.000 0.750 195 E HN 0.493 nan 8.360 nan 0.000 0.452 196 M N 0.010 119.672 119.600 0.102 0.000 2.229 196 M HA -0.102 4.354 4.480 -0.040 0.000 0.264 196 M C 1.992 178.360 176.300 0.113 0.000 1.063 196 M CA 1.056 56.413 55.300 0.096 0.000 1.114 196 M CB 0.096 32.763 32.600 0.112 0.000 1.387 196 M HN 0.162 nan 8.290 nan 0.000 0.420 197 L N -1.115 120.202 121.223 0.156 0.000 2.463 197 L HA 0.035 4.351 4.340 -0.040 0.000 0.219 197 L C 2.392 179.413 176.870 0.251 0.000 1.088 197 L CA 0.985 55.964 54.840 0.232 0.000 0.849 197 L CB -0.371 41.839 42.059 0.252 0.000 1.012 197 L HN 0.385 nan 8.230 nan 0.000 0.468 198 T N -4.862 109.807 114.554 0.190 0.000 3.000 198 T HA 0.216 4.542 4.350 -0.040 0.000 0.248 198 T C 1.428 176.200 174.700 0.119 0.000 1.034 198 T CA 0.569 62.783 62.100 0.190 0.000 1.060 198 T CB 0.712 69.666 68.868 0.145 0.000 0.983 198 T HN 0.287 nan 8.240 nan 0.000 0.482 199 G N 1.354 110.204 108.800 0.083 0.000 2.182 199 G HA2 -0.238 3.697 3.960 -0.040 0.000 0.248 199 G HA3 -0.238 3.697 3.960 -0.040 0.000 0.248 199 G C 0.318 175.210 174.900 -0.013 0.000 1.042 199 G CA 0.664 45.782 45.100 0.031 0.000 0.775 199 G HN 0.612 nan 8.290 nan 0.000 0.501 200 Q N -1.363 118.440 119.800 0.005 0.000 2.462 200 Q HA 0.223 4.539 4.340 -0.040 0.000 0.194 200 Q C 1.062 177.066 176.000 0.006 0.000 0.694 200 Q CA -0.198 55.597 55.803 -0.013 0.000 0.873 200 Q CB 0.250 28.973 28.738 -0.025 0.000 1.261 200 Q HN 0.219 nan 8.270 nan 0.000 0.531 201 K N 2.785 123.197 120.400 0.021 0.000 2.599 201 K HA -0.095 4.201 4.320 -0.040 0.000 0.275 201 K C -2.531 174.082 176.600 0.023 0.000 0.983 201 K CA 0.277 56.579 56.287 0.025 0.000 1.076 201 K CB 0.090 32.612 32.500 0.037 0.000 0.822 201 K HN -0.040 nan 8.250 nan 0.000 0.485 202 P HA 0.337 nan 4.420 nan 0.000 0.285 202 P C -0.820 176.485 177.300 0.008 0.000 1.280 202 P CA -0.776 62.333 63.100 0.015 0.000 0.862 202 P CB 1.657 33.367 31.700 0.016 0.000 1.153 220 T N 2.724 117.253 114.554 -0.041 0.000 2.927 220 T HA 0.553 4.879 4.350 -0.040 0.000 0.281 220 T C -2.025 172.535 174.700 -0.234 0.000 0.998 220 T CA -0.451 61.598 62.100 -0.086 0.000 1.019 220 T CB 1.851 70.737 68.868 0.031 0.000 1.061 220 T HN 0.363 nan 8.240 nan 0.000 0.518 221 P HA 0.076 nan 4.420 nan 0.000 0.230 221 P C 0.235 177.083 177.300 -0.755 0.000 1.158 221 P CA 0.856 63.521 63.100 -0.725 0.000 0.769 221 P CB 0.025 31.112 31.700 -1.021 0.000 0.807 222 F N -2.250 117.683 119.950 -0.028 0.000 2.728 222 F HA 0.188 4.691 4.527 -0.040 0.000 0.314 222 F C 1.172 176.985 175.800 0.022 0.000 1.094 222 F CA -0.479 57.520 58.000 -0.001 0.000 1.217 222 F CB -0.761 38.247 39.000 0.013 0.000 1.056 222 F HN -0.273 nan 8.300 nan 0.000 0.577 223 S N 1.527 117.310 115.700 0.139 0.000 2.576 223 S HA 0.225 4.671 4.470 -0.040 0.000 0.276 223 S C 1.080 175.757 174.600 0.128 0.000 1.339 223 S CA -0.586 57.686 58.200 0.120 0.000 1.039 223 S CB 1.021 64.263 63.200 0.070 0.000 0.902 223 S HN 0.312 nan 8.310 nan 0.000 0.516 224 L N 1.349 122.683 121.223 0.185 0.000 2.265 224 L HA -0.132 4.183 4.340 -0.040 0.000 0.215 224 L C 2.043 179.101 176.870 0.313 0.000 1.117 224 L CA 0.719 55.746 54.840 0.312 0.000 0.782 224 L CB -0.787 41.408 42.059 0.227 0.000 0.914 224 L HN 0.696 nan 8.230 nan 0.000 0.441 225 N N 1.173 119.967 118.700 0.157 0.000 2.348 225 N HA -0.202 4.514 4.740 -0.040 0.000 0.185 225 N C 1.778 177.368 175.510 0.133 0.000 1.019 225 N CA 1.193 54.346 53.050 0.171 0.000 0.880 225 N CB -0.310 38.216 38.487 0.065 0.000 0.965 225 N HN 0.563 nan 8.380 nan 0.000 0.437 226 R N 0.142 120.605 120.500 -0.062 0.000 2.285 226 R HA -0.001 4.315 4.340 -0.040 0.000 0.213 226 R C 0.885 176.905 176.300 -0.466 0.000 1.068 226 R CA 0.804 56.737 56.100 -0.278 0.000 1.004 226 R CB -0.523 29.525 30.300 -0.420 0.000 0.873 226 R HN 0.097 nan 8.270 nan 0.000 0.467 227 F N 0.052 119.841 119.950 -0.268 0.000 2.789 227 F HA 0.259 4.762 4.527 -0.041 0.000 0.300 227 F C 0.003 175.283 175.800 -0.866 0.000 1.132 227 F CA -0.074 57.578 58.000 -0.580 0.000 1.404 227 F CB 0.336 38.860 39.000 -0.795 0.000 1.114 227 F HN -0.135 nan 8.300 nan 0.000 0.584 228 F N 1.579 121.580 119.950 0.085 0.000 2.443 228 F HA 0.428 4.931 4.527 -0.040 0.000 0.369 228 F C -0.398 175.434 175.800 0.053 0.000 1.090 228 F CA -0.755 57.269 58.000 0.040 0.000 1.129 228 F CB 0.450 39.476 39.000 0.044 0.000 1.367 228 F HN -0.325 nan 8.300 nan 0.000 0.465 229 L N 3.560 124.859 121.223 0.128 0.000 2.331 229 L HA 0.571 4.887 4.340 -0.040 0.000 0.275 229 L C -2.408 174.531 176.870 0.114 0.000 1.022 229 L CA -2.394 52.504 54.840 0.096 0.000 0.812 229 L CB 1.516 43.599 42.059 0.040 0.000 1.257 229 L HN 0.175 nan 8.230 nan 0.000 0.435 230 P HA -0.067 nan 4.420 nan 0.000 0.262 230 P C 0.502 177.856 177.300 0.089 0.000 1.182 230 P CA -0.156 63.000 63.100 0.093 0.000 0.761 230 P CB 0.590 32.334 31.700 0.073 0.000 0.795 231 L N 4.909 126.192 121.223 0.099 0.000 2.051 231 L HA -0.248 4.068 4.340 -0.040 0.000 0.214 231 L C 2.020 178.927 176.870 0.062 0.000 1.076 231 L CA 2.018 56.907 54.840 0.083 0.000 0.758 231 L CB -1.081 41.021 42.059 0.071 0.000 0.890 231 L HN 0.452 nan 8.230 nan 0.000 0.433 232 E N -1.032 119.203 120.200 0.059 0.000 2.021 232 E HA -0.352 3.974 4.350 -0.040 0.000 0.200 232 E C 2.143 178.774 176.600 0.052 0.000 1.015 232 E CA 1.901 58.331 56.400 0.050 0.000 0.824 232 E CB -0.261 29.467 29.700 0.047 0.000 0.762 232 E HN 0.684 nan 8.360 nan 0.000 0.454 233 Q N 0.214 120.044 119.800 0.051 0.000 2.170 233 Q HA -0.136 4.180 4.340 -0.040 0.000 0.203 233 Q C 1.565 177.602 176.000 0.061 0.000 0.976 233 Q CA 1.396 57.228 55.803 0.048 0.000 0.858 233 Q CB 0.338 29.099 28.738 0.039 0.000 0.907 233 Q HN 0.168 nan 8.270 nan 0.000 0.433 234 V N 0.194 120.147 119.914 0.065 0.000 3.528 234 V HA 0.010 4.106 4.120 -0.040 0.000 0.294 234 V C 1.608 177.740 176.094 0.065 0.000 1.404 234 V CA 0.476 62.817 62.300 0.067 0.000 1.065 234 V CB 0.296 32.150 31.823 0.052 0.000 0.904 234 V HN 0.344 nan 8.190 nan 0.000 0.435 235 E N 1.207 121.448 120.200 0.068 0.000 2.068 235 E HA -0.331 3.995 4.350 -0.040 0.000 0.207 235 E C 1.972 178.598 176.600 0.043 0.000 1.032 235 E CA 2.442 58.870 56.400 0.048 0.000 0.839 235 E CB -0.230 29.503 29.700 0.055 0.000 0.758 235 E HN 0.528 nan 8.360 nan 0.000 0.457 236 F N 1.278 121.217 119.950 -0.018 0.000 2.091 236 F HA -0.233 4.269 4.527 -0.041 0.000 0.299 236 F C 2.295 178.079 175.800 -0.026 0.000 1.103 236 F CA 2.179 60.166 58.000 -0.023 0.000 1.228 236 F CB -0.242 38.747 39.000 -0.019 0.000 0.984 236 F HN -0.087 nan 8.300 nan 0.000 0.477 237 K N 0.287 120.649 120.400 -0.063 0.000 2.032 237 K HA -0.185 4.110 4.320 -0.040 0.000 0.209 237 K C 2.310 178.794 176.600 -0.194 0.000 1.048 237 K CA 1.715 57.921 56.287 -0.135 0.000 0.927 237 K CB -0.518 32.001 32.500 0.031 0.000 0.712 237 K HN 0.384 nan 8.250 nan 0.000 0.441 238 L N 1.087 122.238 121.223 -0.120 0.000 2.012 238 L HA -0.286 4.030 4.340 -0.040 0.000 0.210 238 L C 2.127 178.889 176.870 -0.180 0.000 1.073 238 L CA 1.376 56.145 54.840 -0.119 0.000 0.748 238 L CB -0.485 41.538 42.059 -0.061 0.000 0.891 238 L HN 0.386 nan 8.230 nan 0.000 0.431 239 N N -0.397 118.179 118.700 -0.207 0.000 2.018 239 N HA -0.279 4.437 4.740 -0.040 0.000 0.196 239 N C 1.761 177.120 175.510 -0.251 0.000 1.043 239 N CA 1.565 54.483 53.050 -0.220 0.000 0.856 239 N CB -0.341 38.017 38.487 -0.214 0.000 1.042 239 N HN 0.429 nan 8.380 nan 0.000 0.423 240 Q N 0.767 120.355 119.800 -0.354 0.000 2.045 240 Q HA -0.153 4.163 4.340 -0.040 0.000 0.206 240 Q C 2.340 178.211 176.000 -0.215 0.000 0.991 240 Q CA 1.191 56.807 55.803 -0.312 0.000 0.851 240 Q CB -0.269 28.215 28.738 -0.424 0.000 0.911 240 Q HN 0.359 nan 8.270 nan 0.000 0.418 241 L N 0.392 121.489 121.223 -0.210 0.000 2.012 241 L HA -0.239 4.076 4.340 -0.040 0.000 0.210 241 L C 2.188 178.950 176.870 -0.179 0.000 1.073 241 L CA 1.264 55.995 54.840 -0.181 0.000 0.748 241 L CB -0.165 41.773 42.059 -0.203 0.000 0.891 241 L HN 0.263 nan 8.230 nan 0.000 0.431 242 L N -0.554 120.556 121.223 -0.188 0.000 2.141 242 L HA -0.198 4.118 4.340 -0.040 0.000 0.209 242 L C 2.428 179.202 176.870 -0.159 0.000 1.094 242 L CA 1.203 55.935 54.840 -0.181 0.000 0.763 242 L CB -0.467 41.470 42.059 -0.203 0.000 0.908 242 L HN 0.303 nan 8.230 nan 0.000 0.437 243 E N 0.092 120.199 120.200 -0.155 0.000 2.150 243 E HA -0.149 4.177 4.350 -0.040 0.000 0.193 243 E C 1.336 177.872 176.600 -0.107 0.000 0.985 243 E CA 0.884 57.206 56.400 -0.130 0.000 0.814 243 E CB 0.053 29.674 29.700 -0.131 0.000 0.752 243 E HN 0.477 nan 8.360 nan 0.000 0.466 244 N N 0.376 119.013 118.700 -0.106 0.000 2.336 244 N HA 0.006 4.722 4.740 -0.040 0.000 0.189 244 N C -0.131 175.337 175.510 -0.069 0.000 1.113 244 N CA 0.040 53.042 53.050 -0.080 0.000 0.858 244 N CB 0.144 38.587 38.487 -0.073 0.000 0.970 244 N HN 0.051 nan 8.380 nan 0.000 0.471 245 L N 1.750 122.923 121.223 -0.083 0.000 2.540 245 L HA -0.005 4.310 4.340 -0.040 0.000 0.276 245 L C 0.658 177.497 176.870 -0.052 0.000 1.212 245 L CA 0.254 55.054 54.840 -0.067 0.000 0.893 245 L CB 0.131 42.135 42.059 -0.092 0.000 1.138 245 L HN 0.154 nan 8.230 nan 0.000 0.491 246 S N 4.101 119.784 115.700 -0.028 0.000 2.599 246 S HA 0.806 5.252 4.470 -0.040 0.000 0.287 246 S C -2.774 171.829 174.600 0.005 0.000 1.105 246 S CA -1.633 56.556 58.200 -0.019 0.000 0.899 246 S CB 1.647 64.836 63.200 -0.019 0.000 1.100 246 S HN 0.380 nan 8.310 nan 0.000 0.482 247 P HA 0.095 nan 4.420 nan 0.000 0.266 247 P C 0.205 177.554 177.300 0.081 0.000 1.186 247 P CA 0.126 63.256 63.100 0.050 0.000 0.767 247 P CB 0.412 32.159 31.700 0.079 0.000 0.820 248 D N 1.905 122.347 120.400 0.070 0.000 2.128 248 D HA -0.078 4.538 4.640 -0.040 0.000 0.213 248 D C 0.358 176.727 176.300 0.115 0.000 0.983 248 D CA 1.187 55.233 54.000 0.076 0.000 0.889 248 D CB 0.234 41.055 40.800 0.035 0.000 1.018 248 D HN 0.499 nan 8.370 nan 0.000 0.448 249 Q N 1.409 121.253 119.800 0.074 0.000 2.706 249 Q HA 0.170 4.486 4.340 -0.040 0.000 0.250 249 Q C 1.147 177.151 176.000 0.007 0.000 1.120 249 Q CA -0.750 55.063 55.803 0.016 0.000 0.972 249 Q CB 0.004 28.717 28.738 -0.042 0.000 1.173 249 Q HN 0.523 nan 8.270 nan 0.000 0.522 250 W N 1.207 122.505 121.300 -0.002 0.000 2.338 250 W HA -0.091 4.544 4.660 -0.041 0.000 0.304 250 W C 0.150 176.669 176.519 -0.000 0.000 1.212 250 W CA 0.593 57.937 57.345 -0.002 0.000 1.264 250 W CB -0.616 28.842 29.460 -0.004 0.000 1.142 250 W HN 0.399 nan 8.180 nan 0.000 0.512 251 S N 1.640 116.708 115.700 -1.053 0.000 2.410 251 S HA 0.454 4.900 4.470 -0.040 0.000 0.304 251 S C -0.675 173.638 174.600 -0.480 0.000 1.095 251 S CA -0.510 57.103 58.200 -0.978 0.000 1.089 251 S CB 0.758 63.007 63.200 -1.584 0.000 0.968 251 S HN -0.002 nan 8.310 nan 0.000 0.480 252 V N 8.068 127.819 119.914 -0.272 0.000 2.459 252 V HA 0.503 4.599 4.120 -0.040 0.000 0.295 252 V C -1.720 174.294 176.094 -0.133 0.000 1.029 252 V CA -1.822 60.383 62.300 -0.159 0.000 0.874 252 V CB 1.269 33.053 31.823 -0.063 0.000 0.985 252 V HN 0.799 nan 8.190 nan 0.000 0.438 253 P HA 0.075 nan 4.420 nan 0.000 0.269 253 P C -0.177 177.129 177.300 0.010 0.000 1.205 253 P CA -0.093 62.931 63.100 -0.127 0.000 0.780 253 P CB 0.515 32.048 31.700 -0.279 0.000 0.858 254 A N 1.072 123.910 122.820 0.030 0.000 2.540 254 A HA 0.402 4.698 4.320 -0.040 0.000 0.239 254 A C 1.483 179.167 177.584 0.167 0.000 1.061 254 A CA 0.549 52.626 52.037 0.067 0.000 0.758 254 A CB -1.251 17.770 19.000 0.035 0.000 0.991 254 A HN 1.033 nan 8.150 nan 0.000 0.502 255 G N 1.385 110.233 108.800 0.080 0.000 2.160 255 G HA2 -0.208 3.728 3.960 -0.040 0.000 0.251 255 G HA3 -0.208 3.728 3.960 -0.040 0.000 0.251 255 G C -0.023 174.803 174.900 -0.123 0.000 1.008 255 G CA 1.054 46.151 45.100 -0.005 0.000 0.724 255 G HN 1.251 nan 8.290 nan 0.000 0.514 256 H N -1.099 117.955 119.070 -0.026 0.000 2.797 256 H HA 0.742 5.274 4.556 -0.040 0.000 0.372 256 H C 0.581 175.894 175.328 -0.024 0.000 1.168 256 H CA -0.743 55.290 56.048 -0.025 0.000 1.163 256 H CB 1.053 30.796 29.762 -0.032 0.000 1.778 256 H HN 0.269 nan 8.280 nan 0.000 0.551 257 R N 1.644 122.200 120.500 0.094 0.000 2.573 257 R HA 0.343 4.659 4.340 -0.040 0.000 0.272 257 R C -2.338 173.999 176.300 0.062 0.000 1.009 257 R CA -1.810 54.320 56.100 0.051 0.000 1.059 257 R CB 0.544 30.860 30.300 0.027 0.000 1.112 257 R HN 0.429 nan 8.270 nan 0.000 0.517 258 P HA 0.023 nan 4.420 nan 0.000 0.272 258 P C -0.752 176.569 177.300 0.034 0.000 1.254 258 P CA -0.170 62.944 63.100 0.023 0.000 0.795 258 P CB 0.473 32.183 31.700 0.017 0.000 1.022 259 L N 1.264 122.504 121.223 0.029 0.000 2.255 259 L HA 0.423 4.739 4.340 -0.040 0.000 0.289 259 L C 0.874 177.786 176.870 0.070 0.000 1.046 259 L CA -0.131 54.734 54.840 0.042 0.000 0.816 259 L CB 0.321 42.398 42.059 0.030 0.000 1.197 259 L HN 0.281 nan 8.230 nan 0.000 0.427 260 R N 3.766 124.322 120.500 0.094 0.000 2.422 260 R HA 0.584 4.900 4.340 -0.040 0.000 0.307 260 R C -0.618 175.812 176.300 0.216 0.000 1.004 260 R CA -0.461 55.744 56.100 0.175 0.000 0.882 260 R CB 1.438 31.826 30.300 0.146 0.000 1.164 260 R HN 0.640 nan 8.270 nan 0.000 0.489 261 A N 3.868 126.850 122.820 0.270 0.000 3.157 261 A HA 0.203 4.498 4.320 -0.040 0.000 0.276 261 A C 0.723 178.301 177.584 -0.008 0.000 1.524 261 A CA -0.473 51.636 52.037 0.119 0.000 1.236 261 A CB 0.119 19.166 19.000 0.079 0.000 1.173 261 A HN 0.892 nan 8.150 nan 0.000 0.595 262 T N 0.382 114.981 114.554 0.075 0.000 2.788 262 T HA -0.123 4.203 4.350 -0.040 0.000 0.268 262 T C 2.170 176.851 174.700 -0.032 0.000 1.044 262 T CA 1.883 63.945 62.100 -0.064 0.000 1.139 262 T CB -0.151 68.830 68.868 0.188 0.000 0.867 262 T HN 0.685 nan 8.240 nan 0.000 0.454 263 G N 0.910 109.731 108.800 0.035 0.000 2.491 263 G HA2 -0.269 3.667 3.960 -0.040 0.000 0.218 263 G HA3 -0.269 3.667 3.960 -0.040 0.000 0.218 263 G C 1.867 176.783 174.900 0.026 0.000 1.180 263 G CA 1.350 46.444 45.100 -0.011 0.000 0.774 263 G HN 0.531 nan 8.290 nan 0.000 0.562 264 S N 0.786 116.437 115.700 -0.082 0.000 2.368 264 S HA 0.030 4.476 4.470 -0.040 0.000 0.225 264 S C 2.709 177.246 174.600 -0.105 0.000 1.030 264 S CA 1.687 59.861 58.200 -0.042 0.000 0.999 264 S CB -0.496 62.694 63.200 -0.016 0.000 0.844 264 S HN 0.611 nan 8.310 nan 0.000 0.459 265 A N 1.322 123.982 122.820 -0.267 0.000 1.902 265 A HA 0.077 4.373 4.320 -0.040 0.000 0.217 265 A C 2.209 179.646 177.584 -0.245 0.000 1.181 265 A CA 1.414 53.228 52.037 -0.373 0.000 0.623 265 A CB -0.723 17.713 19.000 -0.940 0.000 0.818 265 A HN 0.587 nan 8.150 nan 0.000 0.443 266 L N -0.674 120.457 121.223 -0.154 0.000 2.156 266 L HA -0.125 4.191 4.340 -0.040 0.000 0.208 266 L C 2.444 179.289 176.870 -0.042 0.000 1.095 266 L CA 1.331 56.127 54.840 -0.073 0.000 0.770 266 L CB -0.546 41.543 42.059 0.050 0.000 0.914 266 L HN 0.515 nan 8.230 nan 0.000 0.439 267 N N 0.733 119.439 118.700 0.009 0.000 2.106 267 N HA -0.180 4.536 4.740 -0.040 0.000 0.188 267 N C 1.776 177.258 175.510 -0.048 0.000 1.029 267 N CA 1.311 54.370 53.050 0.015 0.000 0.848 267 N CB 0.064 38.626 38.487 0.126 0.000 1.007 267 N HN 0.069 nan 8.380 nan 0.000 0.423 268 I N 0.812 121.312 120.570 -0.117 0.000 2.226 268 I HA -0.154 3.992 4.170 -0.040 0.000 0.245 268 I C 2.303 178.363 176.117 -0.095 0.000 1.100 268 I CA 1.133 62.299 61.300 -0.223 0.000 1.374 268 I CB -1.803 35.956 38.000 -0.401 0.000 1.057 268 I HN 0.204 nan 8.210 nan 0.000 0.413 269 A N 1.527 124.294 122.820 -0.088 0.000 1.858 269 A HA -0.220 4.075 4.320 -0.040 0.000 0.216 269 A C 2.581 180.228 177.584 0.105 0.000 1.190 269 A CA 2.702 54.724 52.037 -0.024 0.000 0.617 269 A CB -1.012 17.761 19.000 -0.378 0.000 0.827 269 A HN 0.551 nan 8.150 nan 0.000 0.443 270 S N 0.014 115.730 115.700 0.026 0.000 2.382 270 S HA -0.091 4.355 4.470 -0.040 0.000 0.228 270 S C 1.884 176.539 174.600 0.091 0.000 1.027 270 S CA 1.511 59.752 58.200 0.068 0.000 0.991 270 S CB -0.698 62.519 63.200 0.028 0.000 0.823 270 S HN 0.430 nan 8.310 nan 0.000 0.469 271 L N 0.129 121.382 121.223 0.049 0.000 2.109 271 L HA 0.045 4.361 4.340 -0.040 0.000 0.207 271 L C 2.616 179.531 176.870 0.074 0.000 1.086 271 L CA 0.857 55.723 54.840 0.044 0.000 0.760 271 L CB -0.547 41.511 42.059 -0.003 0.000 0.910 271 L HN 0.322 nan 8.230 nan 0.000 0.437 272 L N -0.062 121.220 121.223 0.099 0.000 2.083 272 L HA -0.195 4.121 4.340 -0.040 0.000 0.209 272 L C 2.220 179.227 176.870 0.228 0.000 1.083 272 L CA 1.749 56.684 54.840 0.158 0.000 0.752 272 L CB -0.384 41.793 42.059 0.197 0.000 0.899 272 L HN 0.122 nan 8.230 nan 0.000 0.433 273 L N -1.017 120.324 121.223 0.196 0.000 2.217 273 L HA -0.144 4.171 4.340 -0.040 0.000 0.211 273 L C 2.539 179.531 176.870 0.205 0.000 1.107 273 L CA 1.129 55.992 54.840 0.040 0.000 0.783 273 L CB -0.368 41.478 42.059 -0.355 0.000 0.919 273 L HN 0.482 nan 8.230 nan 0.000 0.442 274 Q N -0.050 119.879 119.800 0.214 0.000 2.230 274 Q HA -0.118 4.198 4.340 -0.040 0.000 0.202 274 Q C 2.028 178.089 176.000 0.101 0.000 0.963 274 Q CA 1.281 57.190 55.803 0.177 0.000 0.866 274 Q CB 0.032 28.836 28.738 0.111 0.000 0.931 274 Q HN 0.490 nan 8.270 nan 0.000 0.452 275 G N -0.054 108.801 108.800 0.090 0.000 2.430 275 G HA2 -0.201 3.734 3.960 -0.040 0.000 0.216 275 G HA3 -0.201 3.734 3.960 -0.040 0.000 0.216 275 G C 1.329 176.241 174.900 0.019 0.000 1.146 275 G CA 0.963 46.098 45.100 0.058 0.000 0.793 275 G HN 0.602 nan 8.290 nan 0.000 0.537 276 C N -4.136 115.160 119.300 -0.007 0.000 3.757 276 C HA 0.567 5.003 4.460 -0.040 0.000 0.358 276 C C 0.711 175.407 174.990 -0.490 0.000 1.484 276 C CA -0.927 57.966 59.018 -0.208 0.000 1.862 276 C CB -0.789 26.835 27.740 -0.194 0.000 2.654 276 C HN 0.190 nan 8.230 nan 0.000 0.699 277 Y N 1.413 121.717 120.300 0.007 0.000 2.658 277 Y HA 0.377 4.903 4.550 -0.040 0.000 0.273 277 Y C 0.593 176.574 175.900 0.135 0.000 0.992 277 Y CA -0.456 57.643 58.100 -0.002 0.000 1.105 277 Y CB 0.119 38.475 38.460 -0.173 0.000 1.188 277 Y HN 0.134 nan 8.280 nan 0.000 0.616 278 K N 1.619 122.118 120.400 0.164 0.000 2.412 278 K HA 0.014 4.309 4.320 -0.040 0.000 0.281 278 K C 0.351 176.952 176.600 0.002 0.000 1.027 278 K CA 0.521 56.845 56.287 0.061 0.000 0.989 278 K CB 0.200 32.711 32.500 0.018 0.000 0.935 278 K HN 0.489 nan 8.250 nan 0.000 0.475 279 N N 2.157 120.783 118.700 -0.123 0.000 2.776 279 N HA -0.190 4.525 4.740 -0.040 0.000 0.250 279 N C -1.140 174.355 175.510 -0.024 0.000 1.112 279 N CA 0.865 53.860 53.050 -0.091 0.000 0.733 279 N CB -0.635 37.822 38.487 -0.049 0.000 1.097 279 N HN 0.430 nan 8.380 nan 0.000 0.558 280 I N 1.196 121.785 120.570 0.030 0.000 2.447 280 I HA 0.287 4.433 4.170 -0.040 0.000 0.287 280 I C -1.965 174.152 176.117 0.000 0.000 1.023 280 I CA -1.901 59.420 61.300 0.035 0.000 1.083 280 I CB 1.817 39.894 38.000 0.129 0.000 1.245 280 I HN -0.235 nan 8.210 nan 0.000 0.434 281 P HA 0.137 nan 4.420 nan 0.000 0.266 281 P C -0.710 176.332 177.300 -0.430 0.000 1.180 281 P CA 0.150 63.094 63.100 -0.259 0.000 0.765 281 P CB 1.074 32.481 31.700 -0.487 0.000 0.806 282 A N 2.481 125.066 122.820 -0.390 0.000 2.590 282 A HA 0.531 4.826 4.320 -0.040 0.000 0.296 282 A C -1.002 176.418 177.584 -0.273 0.000 1.050 282 A CA -0.835 50.911 52.037 -0.485 0.000 0.697 282 A CB 1.355 20.018 19.000 -0.562 0.000 1.277 282 A HN 0.484 nan 8.150 nan 0.000 0.411 283 R N 1.160 121.496 120.500 -0.272 0.000 2.393 283 R HA 0.563 4.879 4.340 -0.040 0.000 0.315 283 R C -1.180 175.115 176.300 -0.008 0.000 0.952 283 R CA -0.469 55.601 56.100 -0.049 0.000 0.842 283 R CB 1.594 31.925 30.300 0.051 0.000 1.163 283 R HN 0.629 nan 8.270 nan 0.000 0.450 284 I N 5.453 126.032 120.570 0.015 0.000 2.306 284 I HA 0.278 4.423 4.170 -0.040 0.000 0.288 284 I C 0.089 176.199 176.117 -0.012 0.000 1.036 284 I CA -0.370 60.913 61.300 -0.028 0.000 1.221 284 I CB 0.806 38.759 38.000 -0.078 0.000 1.385 284 I HN 0.406 nan 8.210 nan 0.000 0.472 285 I N 7.039 127.597 120.570 -0.020 0.000 2.315 285 I HA 0.252 4.398 4.170 -0.040 0.000 0.291 285 I C -0.381 175.616 176.117 -0.200 0.000 1.006 285 I CA -0.584 60.703 61.300 -0.021 0.000 1.265 285 I CB 1.352 39.410 38.000 0.096 0.000 1.387 285 I HN 0.387 nan 8.210 nan 0.000 0.475 286 L N 7.892 128.981 121.223 -0.223 0.000 2.325 286 L HA 0.577 4.893 4.340 -0.040 0.000 0.278 286 L C -1.395 175.264 176.870 -0.352 0.000 1.023 286 L CA 0.043 54.775 54.840 -0.179 0.000 0.811 286 L CB 1.145 43.208 42.059 0.007 0.000 1.249 286 L HN 0.293 nan 8.230 nan 0.000 0.431 287 F N 4.886 124.980 119.950 0.240 0.000 2.532 287 F HA 0.705 5.208 4.527 -0.040 0.000 0.365 287 F C 0.315 176.272 175.800 0.261 0.000 1.112 287 F CA -0.530 57.565 58.000 0.158 0.000 1.082 287 F CB 1.431 40.238 39.000 -0.323 0.000 1.319 287 F HN 0.640 nan 8.300 nan 0.000 0.457 288 A N 1.238 124.348 122.820 0.483 0.000 2.312 288 A HA 0.673 4.968 4.320 -0.040 0.000 0.326 288 A C 0.407 178.153 177.584 0.269 0.000 1.172 288 A CA -0.474 51.760 52.037 0.327 0.000 0.821 288 A CB 1.032 20.162 19.000 0.217 0.000 1.166 288 A HN 0.618 nan 8.150 nan 0.000 0.493 289 S N 0.323 116.119 115.700 0.161 0.000 2.593 289 S HA 0.520 4.966 4.470 -0.040 0.000 0.236 289 S C 0.525 175.124 174.600 -0.001 0.000 0.991 289 S CA 0.379 58.605 58.200 0.044 0.000 0.963 289 S CB 0.139 63.392 63.200 0.087 0.000 0.865 289 S HN 1.583 nan 8.310 nan 0.000 0.488 290 G N 2.120 110.933 108.800 0.022 0.000 2.322 290 G HA2 0.355 4.291 3.960 -0.040 0.000 0.295 290 G HA3 0.355 4.291 3.960 -0.040 0.000 0.295 290 G C -3.546 171.374 174.900 0.034 0.000 1.369 290 G CA -0.852 44.256 45.100 0.013 0.000 0.821 290 G HN -0.091 nan 8.290 nan 0.000 0.536 291 P HA 0.376 nan 4.420 nan 0.000 0.274 291 P C 0.582 177.917 177.300 0.059 0.000 1.246 291 P CA 0.186 63.305 63.100 0.031 0.000 0.795 291 P CB 0.982 32.690 31.700 0.014 0.000 1.006 292 G N -0.008 108.837 108.800 0.075 0.000 2.378 292 G HA2 0.335 4.270 3.960 -0.040 0.000 0.255 292 G HA3 0.335 4.270 3.960 -0.040 0.000 0.255 292 G C 0.825 175.739 174.900 0.023 0.000 1.270 292 G CA -0.205 44.948 45.100 0.088 0.000 0.876 292 G HN 0.582 nan 8.290 nan 0.000 0.521 293 T N -1.200 113.366 114.554 0.020 0.000 3.040 293 T HA 0.287 4.613 4.350 -0.040 0.000 0.266 293 T C 0.171 174.852 174.700 -0.031 0.000 1.005 293 T CA -0.176 61.913 62.100 -0.019 0.000 0.906 293 T CB 0.476 69.348 68.868 0.007 0.000 1.082 293 T HN 0.220 nan 8.240 nan 0.000 0.531 294 V N 2.313 122.211 119.914 -0.027 0.000 2.376 294 V HA 0.735 4.831 4.120 -0.040 0.000 0.287 294 V C 0.591 176.623 176.094 -0.104 0.000 1.015 294 V CA -1.634 60.640 62.300 -0.044 0.000 0.834 294 V CB 0.659 32.480 31.823 -0.004 0.000 1.001 294 V HN 0.628 nan 8.190 nan 0.000 0.428 295 A N 7.446 130.190 122.820 -0.127 0.000 2.591 295 A HA 0.243 4.539 4.320 -0.040 0.000 0.244 295 A C -2.258 175.198 177.584 -0.214 0.000 1.031 295 A CA -0.171 51.755 52.037 -0.184 0.000 0.767 295 A CB -0.505 18.418 19.000 -0.128 0.000 0.942 295 A HN 0.637 nan 8.150 nan 0.000 0.514 296 P HA 0.233 nan 4.420 nan 0.000 0.263 296 P C 0.940 177.662 177.300 -0.963 0.000 1.195 296 P CA 1.969 64.615 63.100 -0.757 0.000 0.762 296 P CB 0.616 31.905 31.700 -0.685 0.000 0.799 297 G N 2.622 110.618 108.800 -1.340 0.000 2.295 297 G HA2 -0.243 3.693 3.960 -0.040 0.000 0.287 297 G HA3 -0.243 3.693 3.960 -0.040 0.000 0.287 297 G C -0.102 174.675 174.900 -0.206 0.000 1.055 297 G CA -0.504 44.084 45.100 -0.854 0.000 0.922 297 G HN 0.552 nan 8.290 nan 0.000 0.503 298 L N 0.382 121.477 121.223 -0.214 0.000 2.416 298 L HA 0.471 4.786 4.340 -0.040 0.000 0.272 298 L C 1.213 178.034 176.870 -0.080 0.000 1.161 298 L CA -0.537 54.219 54.840 -0.141 0.000 0.845 298 L CB 0.384 42.319 42.059 -0.208 0.000 1.119 298 L HN 0.107 nan 8.230 nan 0.000 0.464 299 I N 4.690 125.224 120.570 -0.060 0.000 3.172 299 I HA 0.224 4.370 4.170 -0.040 0.000 0.278 299 I C 0.362 176.428 176.117 -0.085 0.000 1.174 299 I CA 0.687 61.984 61.300 -0.004 0.000 1.445 299 I CB 0.308 38.332 38.000 0.039 0.000 1.175 299 I HN 0.434 nan 8.210 nan 0.000 0.447 300 V N 0.966 120.757 119.914 -0.205 0.000 3.098 300 V HA 0.330 4.426 4.120 -0.040 0.000 0.294 300 V C -0.987 174.979 176.094 -0.213 0.000 1.351 300 V CA -0.903 61.280 62.300 -0.196 0.000 0.999 300 V CB 2.419 34.244 31.823 0.004 0.000 1.104 300 V HN 0.148 nan 8.190 nan 0.000 0.438 301 N N 2.231 120.844 118.700 -0.145 0.000 2.297 301 N HA 0.081 4.797 4.740 -0.040 0.000 0.232 301 N C 1.314 176.808 175.510 -0.027 0.000 1.311 301 N CA 0.722 53.733 53.050 -0.065 0.000 0.897 301 N CB 0.948 39.451 38.487 0.028 0.000 1.137 301 N HN 0.922 nan 8.380 nan 0.000 0.449 302 S N -1.049 114.656 115.700 0.009 0.000 2.515 302 S HA -0.045 4.401 4.470 -0.040 0.000 0.231 302 S C 0.236 174.822 174.600 -0.024 0.000 0.987 302 S CA 0.401 58.630 58.200 0.048 0.000 0.936 302 S CB -0.241 63.044 63.200 0.142 0.000 0.766 302 S HN 0.538 nan 8.310 nan 0.000 0.528 303 E N 1.240 121.367 120.200 -0.122 0.000 2.194 303 E HA 0.299 4.625 4.350 -0.040 0.000 0.284 303 E C 0.357 176.844 176.600 -0.187 0.000 1.035 303 E CA -0.319 55.876 56.400 -0.341 0.000 0.836 303 E CB 1.038 30.561 29.700 -0.294 0.000 1.070 303 E HN 0.260 nan 8.360 nan 0.000 0.401 304 L N 3.551 124.658 121.223 -0.193 0.000 2.197 304 L HA -0.283 4.033 4.340 -0.040 0.000 0.215 304 L C 2.382 179.209 176.870 -0.072 0.000 1.095 304 L CA 1.519 56.299 54.840 -0.099 0.000 0.764 304 L CB -0.670 41.339 42.059 -0.085 0.000 0.897 304 L HN 0.544 nan 8.230 nan 0.000 0.436 305 K N -0.783 119.565 120.400 -0.086 0.000 2.362 305 K HA -0.114 4.182 4.320 -0.040 0.000 0.200 305 K C 0.426 177.010 176.600 -0.027 0.000 1.046 305 K CA 0.749 57.005 56.287 -0.051 0.000 0.952 305 K CB -0.253 32.216 32.500 -0.053 0.000 0.753 305 K HN 0.080 nan 8.250 nan 0.000 0.466 306 D N 3.175 123.562 120.400 -0.020 0.000 2.325 306 D HA 0.179 4.795 4.640 -0.040 0.000 0.251 306 D C -2.286 174.028 176.300 0.023 0.000 1.196 306 D CA -2.382 51.632 54.000 0.023 0.000 0.866 306 D CB 1.153 41.991 40.800 0.064 0.000 1.101 306 D HN 0.135 nan 8.370 nan 0.000 0.476 307 P HA 0.229 nan 4.420 nan 0.000 0.284 307 P C -0.372 176.953 177.300 0.041 0.000 1.258 307 P CA -0.643 62.470 63.100 0.022 0.000 0.824 307 P CB 1.154 32.863 31.700 0.016 0.000 1.038 308 L N 3.109 124.347 121.223 0.026 0.000 2.410 308 L HA 0.173 4.489 4.340 -0.040 0.000 0.273 308 L C 1.691 178.570 176.870 0.015 0.000 1.144 308 L CA -0.631 54.226 54.840 0.028 0.000 0.863 308 L CB 0.172 42.234 42.059 0.005 0.000 1.140 308 L HN 0.452 nan 8.230 nan 0.000 0.463 309 R N 2.797 123.313 120.500 0.026 0.000 2.619 309 R HA 0.033 4.348 4.340 -0.040 0.000 0.268 309 R C -0.224 176.031 176.300 -0.074 0.000 0.990 309 R CA 0.113 56.200 56.100 -0.021 0.000 1.092 309 R CB 0.299 30.581 30.300 -0.031 0.000 0.935 309 R HN 0.530 nan 8.270 nan 0.000 0.415 310 S N -0.322 115.334 115.700 -0.075 0.000 2.722 310 S HA 0.202 4.648 4.470 -0.040 0.000 0.292 310 S C 1.011 175.547 174.600 -0.107 0.000 1.135 310 S CA -0.702 57.459 58.200 -0.065 0.000 1.003 310 S CB 0.794 64.016 63.200 0.036 0.000 1.067 310 S HN 0.709 nan 8.310 nan 0.000 0.546 311 H N 0.779 119.820 119.070 -0.047 0.000 2.353 311 H HA -0.089 4.442 4.556 -0.040 0.000 0.300 311 H C 1.923 177.225 175.328 -0.043 0.000 1.090 311 H CA 2.373 58.385 56.048 -0.061 0.000 1.327 311 H CB -0.440 29.309 29.762 -0.022 0.000 1.383 311 H HN 0.838 nan 8.280 nan 0.000 0.508 312 H N 1.020 120.128 119.070 0.064 0.000 2.387 312 H HA -0.101 4.431 4.556 -0.040 0.000 0.299 312 H C 1.479 176.775 175.328 -0.053 0.000 1.090 312 H CA 1.860 57.913 56.048 0.008 0.000 1.332 312 H CB -0.001 29.775 29.762 0.023 0.000 1.386 312 H HN 0.208 nan 8.280 nan 0.000 0.516 313 D N 0.459 120.662 120.400 -0.329 0.000 2.084 313 D HA -0.137 4.479 4.640 -0.040 0.000 0.194 313 D C 2.474 178.590 176.300 -0.305 0.000 0.990 313 D CA 1.654 55.438 54.000 -0.360 0.000 0.826 313 D CB -0.348 40.361 40.800 -0.153 0.000 0.971 313 D HN 0.491 nan 8.370 nan 0.000 0.453 314 I N 1.168 121.566 120.570 -0.287 0.000 2.264 314 I HA -0.226 3.920 4.170 -0.040 0.000 0.248 314 I C 1.530 177.508 176.117 -0.232 0.000 1.111 314 I CA 1.106 62.192 61.300 -0.357 0.000 1.382 314 I CB -0.144 37.506 38.000 -0.583 0.000 1.060 314 I HN -0.114 nan 8.210 nan 0.000 0.418 315 D N -0.041 120.250 120.400 -0.182 0.000 2.323 315 D HA -0.054 4.561 4.640 -0.040 0.000 0.209 315 D C 2.167 178.365 176.300 -0.169 0.000 0.973 315 D CA 1.228 55.156 54.000 -0.119 0.000 0.874 315 D CB 0.101 40.879 40.800 -0.037 0.000 0.930 315 D HN 0.354 nan 8.370 nan 0.000 0.521 316 S N -0.459 115.042 115.700 -0.332 0.000 2.535 316 S HA -0.023 4.423 4.470 -0.040 0.000 0.214 316 S C 0.682 175.022 174.600 -0.434 0.000 0.980 316 S CA -0.005 57.913 58.200 -0.470 0.000 0.907 316 S CB 0.606 63.270 63.200 -0.892 0.000 0.790 316 S HN 0.023 nan 8.310 nan 0.000 0.510 317 D N 1.132 121.374 120.400 -0.263 0.000 2.873 317 D HA -0.189 4.427 4.640 -0.040 0.000 0.228 317 D C -0.139 176.177 176.300 0.026 0.000 1.122 317 D CA 0.608 54.554 54.000 -0.091 0.000 0.758 317 D CB -1.979 38.804 40.800 -0.029 0.000 1.094 317 D HN 0.809 nan 8.370 nan 0.000 0.434 318 H N -1.316 117.677 119.070 -0.128 0.000 2.586 318 H HA 0.404 4.936 4.556 -0.040 0.000 0.273 318 H C 1.132 176.394 175.328 -0.110 0.000 0.997 318 H CA 0.332 56.308 56.048 -0.120 0.000 1.177 318 H CB 0.673 30.340 29.762 -0.159 0.000 1.471 318 H HN 0.242 nan 8.280 nan 0.000 0.538 319 A N 1.582 124.406 122.820 0.007 0.000 2.475 319 A HA 0.008 4.304 4.320 -0.040 0.000 0.293 319 A C 1.082 178.667 177.584 0.001 0.000 1.252 319 A CA -0.311 51.723 52.037 -0.004 0.000 0.920 319 A CB 0.133 19.118 19.000 -0.024 0.000 1.125 319 A HN 0.500 nan 8.150 nan 0.000 0.528 320 Q N 0.935 120.668 119.800 -0.113 0.000 2.291 320 Q HA -0.152 4.164 4.340 -0.040 0.000 0.206 320 Q C 0.587 176.405 176.000 -0.303 0.000 0.976 320 Q CA 1.508 57.149 55.803 -0.270 0.000 0.875 320 Q CB 0.013 28.457 28.738 -0.489 0.000 0.927 320 Q HN 0.926 nan 8.270 nan 0.000 0.450 321 H N -2.556 116.566 119.070 0.088 0.000 3.046 321 H HA 0.050 4.581 4.556 -0.040 0.000 0.262 321 H C 0.983 176.384 175.328 0.123 0.000 1.044 321 H CA -0.167 55.931 56.048 0.084 0.000 1.209 321 H CB 0.143 29.945 29.762 0.067 0.000 1.507 321 H HN 0.202 nan 8.280 nan 0.000 0.507 322 Y N 3.215 123.588 120.300 0.121 0.000 2.014 322 Y HA -0.300 4.225 4.550 -0.041 0.000 0.272 322 Y C 2.327 178.281 175.900 0.090 0.000 1.164 322 Y CA 2.030 60.184 58.100 0.090 0.000 1.114 322 Y CB 0.032 38.519 38.460 0.045 0.000 0.961 322 Y HN -0.036 nan 8.280 nan 0.000 0.489 323 K N -0.021 120.451 120.400 0.119 0.000 2.032 323 K HA -0.226 4.070 4.320 -0.040 0.000 0.209 323 K C 2.054 178.655 176.600 0.002 0.000 1.048 323 K CA 2.127 58.429 56.287 0.024 0.000 0.927 323 K CB -0.249 32.299 32.500 0.080 0.000 0.712 323 K HN 0.317 nan 8.250 nan 0.000 0.441 324 K N 0.544 120.970 120.400 0.043 0.000 2.063 324 K HA -0.152 4.144 4.320 -0.040 0.000 0.208 324 K C 2.300 178.924 176.600 0.040 0.000 1.048 324 K CA 1.421 57.733 56.287 0.042 0.000 0.928 324 K CB -0.225 32.308 32.500 0.056 0.000 0.713 324 K HN 0.157 nan 8.250 nan 0.000 0.442 325 A N 1.303 124.151 122.820 0.047 0.000 1.855 325 A HA -0.180 4.116 4.320 -0.040 0.000 0.215 325 A C 2.489 180.167 177.584 0.157 0.000 1.191 325 A CA 1.531 53.633 52.037 0.108 0.000 0.613 325 A CB -1.110 17.989 19.000 0.165 0.000 0.829 325 A HN 0.428 nan 8.150 nan 0.000 0.442 326 C N -0.315 118.971 119.300 -0.023 0.000 2.376 326 C HA -0.173 4.263 4.460 -0.040 0.000 0.275 326 C C 2.747 177.753 174.990 0.028 0.000 1.200 326 C CA 1.519 60.508 59.018 -0.048 0.000 1.756 326 C CB -1.223 26.371 27.740 -0.244 0.000 2.050 326 C HN 0.640 nan 8.230 nan 0.000 0.460 327 K N -0.127 120.280 120.400 0.013 0.000 2.044 327 K HA -0.221 4.074 4.320 -0.040 0.000 0.210 327 K C 1.820 178.428 176.600 0.014 0.000 1.049 327 K CA 1.945 58.241 56.287 0.016 0.000 0.927 327 K CB -0.529 31.984 32.500 0.023 0.000 0.713 327 K HN 0.548 nan 8.250 nan 0.000 0.443 328 F N 1.032 120.912 119.950 -0.116 0.000 2.026 328 F HA -0.272 4.231 4.527 -0.040 0.000 0.296 328 F C 2.053 177.731 175.800 -0.204 0.000 1.133 328 F CA 1.493 59.367 58.000 -0.210 0.000 1.188 328 F CB -0.720 38.059 39.000 -0.369 0.000 0.968 328 F HN -0.020 nan 8.300 nan 0.000 0.476 329 Y N 0.744 121.015 120.300 -0.049 0.000 2.165 329 Y HA -0.294 4.231 4.550 -0.040 0.000 0.286 329 Y C 2.410 178.201 175.900 -0.181 0.000 1.155 329 Y CA 1.516 59.524 58.100 -0.153 0.000 1.164 329 Y CB -0.883 37.586 38.460 0.015 0.000 0.978 329 Y HN 0.153 nan 8.280 nan 0.000 0.513 330 N N 0.099 118.809 118.700 0.016 0.000 2.272 330 N HA -0.172 4.544 4.740 -0.040 0.000 0.185 330 N C 1.531 176.995 175.510 -0.075 0.000 1.014 330 N CA 1.295 54.336 53.050 -0.016 0.000 0.870 330 N CB -0.329 38.153 38.487 -0.007 0.000 0.975 330 N HN 0.576 nan 8.380 nan 0.000 0.433 331 Q N -0.222 119.480 119.800 -0.163 0.000 2.137 331 Q HA 0.058 4.374 4.340 -0.040 0.000 0.198 331 Q C 1.634 177.506 176.000 -0.213 0.000 0.960 331 Q CA 0.537 56.229 55.803 -0.185 0.000 0.847 331 Q CB 0.174 28.772 28.738 -0.233 0.000 0.915 331 Q HN 0.295 nan 8.270 nan 0.000 0.448 332 I N 0.892 121.273 120.570 -0.316 0.000 2.315 332 I HA -0.187 3.959 4.170 -0.040 0.000 0.248 332 I C 2.336 178.398 176.117 -0.093 0.000 1.117 332 I CA 1.107 62.265 61.300 -0.237 0.000 1.404 332 I CB -1.491 36.347 38.000 -0.269 0.000 1.071 332 I HN 0.091 nan 8.210 nan 0.000 0.419 333 A N 0.516 123.300 122.820 -0.059 0.000 1.877 333 A HA -0.233 4.063 4.320 -0.040 0.000 0.216 333 A C 2.272 179.850 177.584 -0.011 0.000 1.186 333 A CA 1.439 53.470 52.037 -0.011 0.000 0.620 333 A CB -0.649 18.356 19.000 0.008 0.000 0.822 333 A HN 0.494 nan 8.150 nan 0.000 0.443 334 Q N -0.979 118.805 119.800 -0.027 0.000 2.084 334 Q HA -0.209 4.106 4.340 -0.040 0.000 0.202 334 Q C 2.396 178.381 176.000 -0.026 0.000 0.978 334 Q CA 1.605 57.396 55.803 -0.020 0.000 0.844 334 Q CB -0.258 28.463 28.738 -0.028 0.000 0.898 334 Q HN 0.720 nan 8.270 nan 0.000 0.426 335 R N 0.906 121.382 120.500 -0.040 0.000 2.082 335 R HA -0.166 4.150 4.340 -0.040 0.000 0.234 335 R C 2.352 178.640 176.300 -0.019 0.000 1.136 335 R CA 2.057 58.138 56.100 -0.033 0.000 0.935 335 R CB -0.432 29.844 30.300 -0.041 0.000 0.842 335 R HN 0.284 nan 8.270 nan 0.000 0.430 336 V N -1.115 118.801 119.914 0.004 0.000 2.407 336 V HA -0.074 4.022 4.120 -0.040 0.000 0.248 336 V C 2.433 178.524 176.094 -0.005 0.000 1.055 336 V CA 1.735 64.056 62.300 0.034 0.000 1.049 336 V CB -1.306 30.564 31.823 0.080 0.000 0.662 336 V HN 0.436 nan 8.190 nan 0.000 0.455 337 A N 0.688 123.511 122.820 0.004 0.000 1.930 337 A HA 0.152 4.447 4.320 -0.040 0.000 0.217 337 A C 2.427 179.997 177.584 -0.023 0.000 1.175 337 A CA 2.074 54.116 52.037 0.009 0.000 0.627 337 A CB -0.909 18.110 19.000 0.031 0.000 0.815 337 A HN 0.908 nan 8.150 nan 0.000 0.443 338 A N 0.020 122.818 122.820 -0.036 0.000 2.014 338 A HA -0.110 4.185 4.320 -0.040 0.000 0.218 338 A C 1.744 179.270 177.584 -0.097 0.000 1.163 338 A CA 1.398 53.405 52.037 -0.050 0.000 0.652 338 A CB -0.644 18.333 19.000 -0.039 0.000 0.808 338 A HN 0.701 nan 8.150 nan 0.000 0.449 339 N N -1.081 117.525 118.700 -0.156 0.000 2.463 339 N HA 0.226 4.942 4.740 -0.040 0.000 0.181 339 N C 0.904 176.115 175.510 -0.499 0.000 1.078 339 N CA 0.392 53.247 53.050 -0.325 0.000 0.902 339 N CB 0.111 38.359 38.487 -0.399 0.000 0.970 339 N HN 0.577 nan 8.380 nan 0.000 0.451 340 G N 0.954 109.583 108.800 -0.284 0.000 2.147 340 G HA2 -0.256 3.680 3.960 -0.040 0.000 0.244 340 G HA3 -0.256 3.680 3.960 -0.040 0.000 0.244 340 G C -0.492 174.330 174.900 -0.129 0.000 1.005 340 G CA -0.073 44.918 45.100 -0.181 0.000 0.713 340 G HN 0.527 nan 8.290 nan 0.000 0.515 341 H N -0.327 118.740 119.070 -0.006 0.000 2.499 341 H HA 0.651 5.183 4.556 -0.040 0.000 0.340 341 H C 0.029 175.367 175.328 0.016 0.000 1.148 341 H CA -0.342 55.693 56.048 -0.020 0.000 1.215 341 H CB 1.645 31.393 29.762 -0.023 0.000 1.529 341 H HN 0.164 nan 8.280 nan 0.000 0.510 342 T N 2.125 116.777 114.554 0.164 0.000 2.895 342 T HA 0.412 4.738 4.350 -0.040 0.000 0.283 342 T C -0.525 174.236 174.700 0.101 0.000 1.014 342 T CA -0.733 61.447 62.100 0.133 0.000 1.037 342 T CB 1.476 70.443 68.868 0.165 0.000 1.006 342 T HN 0.172 nan 8.240 nan 0.000 0.468 343 V N 2.832 122.800 119.914 0.090 0.000 2.588 343 V HA 0.458 4.554 4.120 -0.040 0.000 0.304 343 V C -0.861 175.277 176.094 0.073 0.000 1.042 343 V CA -0.883 61.455 62.300 0.064 0.000 0.877 343 V CB 2.044 33.891 31.823 0.039 0.000 0.996 343 V HN 0.868 nan 8.190 nan 0.000 0.425 344 D N 4.368 124.820 120.400 0.087 0.000 2.350 344 D HA 0.620 5.235 4.640 -0.040 0.000 0.245 344 D C -0.768 175.562 176.300 0.051 0.000 1.036 344 D CA -0.199 53.858 54.000 0.094 0.000 0.848 344 D CB 3.041 44.010 40.800 0.281 0.000 1.307 344 D HN 0.316 nan 8.370 nan 0.000 0.469 345 I N 1.878 122.404 120.570 -0.074 0.000 2.439 345 I HA 0.301 4.447 4.170 -0.040 0.000 0.285 345 I C -0.984 175.075 176.117 -0.098 0.000 1.021 345 I CA -0.666 60.612 61.300 -0.037 0.000 1.091 345 I CB 1.068 39.022 38.000 -0.077 0.000 1.242 345 I HN 0.084 nan 8.210 nan 0.000 0.439 346 F N 4.781 124.813 119.950 0.136 0.000 2.444 346 F HA 0.695 5.197 4.527 -0.040 0.000 0.342 346 F C 0.464 176.437 175.800 0.287 0.000 1.121 346 F CA -0.568 57.626 58.000 0.325 0.000 0.997 346 F CB 1.881 41.277 39.000 0.659 0.000 1.130 346 F HN 0.397 nan 8.300 nan 0.000 0.454 347 A N 1.834 124.795 122.820 0.236 0.000 2.317 347 A HA 0.756 5.051 4.320 -0.040 0.000 0.327 347 A C 0.192 177.541 177.584 -0.392 0.000 1.178 347 A CA -0.478 51.543 52.037 -0.027 0.000 0.817 347 A CB 0.866 19.790 19.000 -0.127 0.000 1.189 347 A HN 0.958 nan 8.150 nan 0.000 0.489 348 G N 0.297 108.569 108.800 -0.880 0.000 4.713 348 G HA2 0.472 4.408 3.960 -0.040 0.000 0.318 348 G HA3 0.472 4.408 3.960 -0.040 0.000 0.318 348 G C -0.830 173.606 174.900 -0.774 0.000 1.435 348 G CA 0.017 44.255 45.100 -1.437 0.000 0.965 348 G HN 1.070 nan 8.290 nan 0.000 0.542 349 C N 0.401 119.406 119.300 -0.491 0.000 2.783 349 C HA 0.576 5.012 4.460 -0.040 0.000 0.312 349 C C 0.767 175.589 174.990 -0.280 0.000 1.182 349 C CA -0.714 58.132 59.018 -0.288 0.000 1.432 349 C CB 0.509 28.148 27.740 -0.169 0.000 1.933 349 C HN 0.654 nan 8.230 nan 0.000 0.473 350 Y N 1.281 121.507 120.300 -0.125 0.000 2.509 350 Y HA 0.122 4.648 4.550 -0.040 0.000 0.293 350 Y C 1.432 177.282 175.900 -0.083 0.000 1.133 350 Y CA 1.400 59.443 58.100 -0.094 0.000 1.283 350 Y CB 0.099 38.517 38.460 -0.069 0.000 1.001 350 Y HN 0.685 nan 8.280 nan 0.000 0.555 351 D N -1.463 118.960 120.400 0.037 0.000 2.553 351 D HA 0.199 4.815 4.640 -0.040 0.000 0.249 351 D C -0.701 175.571 176.300 -0.047 0.000 1.062 351 D CA -0.587 53.413 54.000 0.001 0.000 1.085 351 D CB 1.109 41.916 40.800 0.012 0.000 1.350 351 D HN -0.015 nan 8.370 nan 0.000 0.575 352 Q N 0.002 119.773 119.800 -0.049 0.000 2.474 352 Q HA 0.222 4.538 4.340 -0.040 0.000 0.256 352 Q C 0.929 176.900 176.000 -0.050 0.000 1.048 352 Q CA 0.348 56.113 55.803 -0.063 0.000 0.922 352 Q CB 1.254 29.959 28.738 -0.055 0.000 1.288 352 Q HN 0.502 nan 8.270 nan 0.000 0.484 353 I N -3.462 117.074 120.570 -0.057 0.000 4.526 353 I HA 0.419 4.565 4.170 -0.040 0.000 0.330 353 I C 0.647 176.741 176.117 -0.039 0.000 1.323 353 I CA 0.237 61.514 61.300 -0.037 0.000 1.218 353 I CB 0.994 38.970 38.000 -0.039 0.000 1.233 353 I HN 0.766 nan 8.210 nan 0.000 0.430 354 G N 2.243 111.012 108.800 -0.051 0.000 2.186 354 G HA2 -0.173 3.763 3.960 -0.040 0.000 0.130 354 G HA3 -0.173 3.763 3.960 -0.040 0.000 0.130 354 G C 0.482 175.314 174.900 -0.113 0.000 1.031 354 G CA 0.234 45.299 45.100 -0.059 0.000 0.697 354 G HN 0.187 nan 8.290 nan 0.000 0.494 355 M N 0.397 119.940 119.600 -0.095 0.000 2.108 355 M HA -0.106 4.350 4.480 -0.040 0.000 0.261 355 M C 2.685 178.946 176.300 -0.066 0.000 1.066 355 M CA 2.113 57.352 55.300 -0.101 0.000 1.107 355 M CB -0.697 31.855 32.600 -0.080 0.000 1.356 355 M HN 0.427 nan 8.290 nan 0.000 0.406 356 S N 0.569 116.264 115.700 -0.008 0.000 2.359 356 S HA -0.188 4.258 4.470 -0.040 0.000 0.224 356 S C 1.567 176.196 174.600 0.048 0.000 1.035 356 S CA 1.822 60.063 58.200 0.068 0.000 1.018 356 S CB -0.100 63.188 63.200 0.147 0.000 0.876 356 S HN 0.482 nan 8.310 nan 0.000 0.448 357 E N 0.317 120.510 120.200 -0.011 0.000 2.358 357 E HA 0.135 4.461 4.350 -0.040 0.000 0.195 357 E C 1.852 178.368 176.600 -0.140 0.000 1.010 357 E CA 0.731 57.060 56.400 -0.117 0.000 0.856 357 E CB -0.059 29.591 29.700 -0.083 0.000 0.795 357 E HN 0.576 nan 8.360 nan 0.000 0.504 358 M N -0.357 119.097 119.600 -0.244 0.000 2.492 358 M HA 0.103 4.558 4.480 -0.040 0.000 0.255 358 M C 1.891 178.104 176.300 -0.145 0.000 1.139 358 M CA 0.231 55.331 55.300 -0.333 0.000 1.096 358 M CB 0.160 32.466 32.600 -0.489 0.000 1.360 358 M HN -0.094 nan 8.290 nan 0.000 0.480 359 K N 1.147 121.494 120.400 -0.087 0.000 2.242 359 K HA -0.271 4.025 4.320 -0.040 0.000 0.206 359 K C 1.880 178.472 176.600 -0.014 0.000 1.045 359 K CA 1.641 57.903 56.287 -0.042 0.000 0.930 359 K CB 0.048 32.555 32.500 0.012 0.000 0.726 359 K HN 0.104 nan 8.250 nan 0.000 0.462 360 Q N 0.363 120.162 119.800 -0.003 0.000 2.369 360 Q HA 0.043 4.359 4.340 -0.040 0.000 0.206 360 Q C 1.623 177.634 176.000 0.018 0.000 0.963 360 Q CA 0.850 56.664 55.803 0.018 0.000 0.894 360 Q CB 0.083 28.837 28.738 0.026 0.000 0.965 360 Q HN 0.415 nan 8.270 nan 0.000 0.475 361 L N -0.727 120.498 121.223 0.004 0.000 2.072 361 L HA -0.136 4.180 4.340 -0.040 0.000 0.205 361 L C 2.306 179.189 176.870 0.022 0.000 1.079 361 L CA 1.775 56.623 54.840 0.014 0.000 0.752 361 L CB -0.699 41.362 42.059 0.003 0.000 0.906 361 L HN 0.376 nan 8.230 nan 0.000 0.436 362 T N -4.941 109.612 114.554 -0.000 0.000 2.976 362 T HA -0.069 4.257 4.350 -0.040 0.000 0.257 362 T C 1.407 176.137 174.700 0.050 0.000 1.051 362 T CA 0.782 62.900 62.100 0.030 0.000 1.141 362 T CB -0.230 68.605 68.868 -0.055 0.000 0.881 362 T HN 0.087 nan 8.240 nan 0.000 0.461 363 D N 1.501 121.896 120.400 -0.007 0.000 2.269 363 D HA 0.071 4.687 4.640 -0.040 0.000 0.208 363 D C 2.130 178.446 176.300 0.027 0.000 0.963 363 D CA 0.741 54.678 54.000 -0.106 0.000 0.864 363 D CB -0.153 40.614 40.800 -0.056 0.000 0.936 363 D HN 0.426 nan 8.370 nan 0.000 0.505 364 S N -1.130 114.609 115.700 0.064 0.000 2.486 364 S HA -0.039 4.407 4.470 -0.040 0.000 0.220 364 S C 1.923 176.589 174.600 0.110 0.000 1.011 364 S CA 1.001 59.259 58.200 0.095 0.000 0.921 364 S CB 0.224 63.468 63.200 0.073 0.000 0.785 364 S HN 0.458 nan 8.310 nan 0.000 0.517 365 T N -2.045 112.572 114.554 0.106 0.000 3.001 365 T HA 0.442 4.768 4.350 -0.040 0.000 0.251 365 T C 1.402 176.180 174.700 0.131 0.000 1.040 365 T CA 0.699 62.865 62.100 0.110 0.000 0.985 365 T CB 0.324 69.251 68.868 0.099 0.000 1.011 365 T HN 0.505 nan 8.240 nan 0.000 0.509 366 G N 0.830 109.740 108.800 0.184 0.000 2.132 366 G HA2 0.001 3.937 3.960 -0.040 0.000 0.228 366 G HA3 0.001 3.937 3.960 -0.040 0.000 0.228 366 G C 0.426 175.486 174.900 0.267 0.000 1.000 366 G CA -0.171 45.076 45.100 0.245 0.000 0.693 366 G HN 0.983 nan 8.290 nan 0.000 0.515 367 G N -1.391 107.551 108.800 0.236 0.000 2.588 367 G HA2 0.633 4.568 3.960 -0.040 0.000 0.281 367 G HA3 0.633 4.568 3.960 -0.040 0.000 0.281 367 G C 0.215 175.284 174.900 0.282 0.000 1.236 367 G CA 0.023 45.251 45.100 0.213 0.000 0.969 367 G HN 0.921 nan 8.290 nan 0.000 0.504 368 V N 0.086 120.109 119.914 0.181 0.000 2.509 368 V HA 0.401 4.497 4.120 -0.040 0.000 0.284 368 V C -0.275 175.732 176.094 -0.145 0.000 1.047 368 V CA -0.457 61.928 62.300 0.141 0.000 0.952 368 V CB 1.362 33.238 31.823 0.089 0.000 0.988 368 V HN 0.514 nan 8.190 nan 0.000 0.469 369 L N 6.268 127.339 121.223 -0.252 0.000 2.388 369 L HA 0.654 4.970 4.340 -0.040 0.000 0.267 369 L C -1.091 175.724 176.870 -0.093 0.000 0.995 369 L CA -0.107 54.517 54.840 -0.361 0.000 0.864 369 L CB 1.222 42.828 42.059 -0.756 0.000 1.216 369 L HN 0.617 nan 8.230 nan 0.000 0.430 370 L N 5.022 126.129 121.223 -0.194 0.000 2.356 370 L HA 0.661 4.977 4.340 -0.040 0.000 0.277 370 L C -1.598 175.107 176.870 -0.274 0.000 0.996 370 L CA -0.500 54.259 54.840 -0.134 0.000 0.822 370 L CB 1.848 43.865 42.059 -0.069 0.000 1.256 370 L HN 0.605 nan 8.230 nan 0.000 0.413 371 L N 5.318 126.116 121.223 -0.709 0.000 2.294 371 L HA 0.779 5.095 4.340 -0.040 0.000 0.283 371 L C -0.414 176.155 176.870 -0.502 0.000 1.015 371 L CA 0.282 54.744 54.840 -0.630 0.000 0.831 371 L CB 1.279 42.841 42.059 -0.829 0.000 1.217 371 L HN 0.821 nan 8.230 nan 0.000 0.420 372 T N -0.554 113.816 114.554 -0.305 0.000 2.906 372 T HA 0.413 4.738 4.350 -0.040 0.000 0.295 372 T C 0.388 174.861 174.700 -0.380 0.000 1.061 372 T CA -0.706 61.243 62.100 -0.252 0.000 1.000 372 T CB 1.396 70.222 68.868 -0.071 0.000 1.103 372 T HN 0.449 nan 8.240 nan 0.000 0.486 373 D N 1.234 121.370 120.400 -0.440 0.000 2.178 373 D HA 0.244 4.859 4.640 -0.040 0.000 0.201 373 D C 0.900 176.710 176.300 -0.817 0.000 0.980 373 D CA 1.687 55.216 54.000 -0.785 0.000 0.842 373 D CB -0.076 40.065 40.800 -1.098 0.000 0.948 373 D HN 0.970 nan 8.370 nan 0.000 0.472 374 A N -1.425 121.048 122.820 -0.579 0.000 2.601 374 A HA 0.463 4.758 4.320 -0.040 0.000 0.291 374 A C -0.616 176.674 177.584 -0.489 0.000 1.075 374 A CA -0.742 50.979 52.037 -0.527 0.000 0.671 374 A CB -0.077 18.759 19.000 -0.274 0.000 1.277 374 A HN -0.041 nan 8.150 nan 0.000 0.417 375 F N 1.028 120.788 119.950 -0.317 0.000 2.802 375 F HA 0.004 4.506 4.527 -0.041 0.000 0.300 375 F C 2.221 177.996 175.800 -0.041 0.000 1.168 375 F CA 1.188 58.864 58.000 -0.539 0.000 1.433 375 F CB 0.403 38.924 39.000 -0.799 0.000 1.115 375 F HN 0.531 nan 8.300 nan 0.000 0.582 376 S N -1.662 114.098 115.700 0.100 0.000 2.556 376 S HA 0.036 4.482 4.470 -0.040 0.000 0.216 376 S C 0.846 175.524 174.600 0.130 0.000 0.970 376 S CA -0.116 58.163 58.200 0.131 0.000 0.912 376 S CB -1.163 62.083 63.200 0.076 0.000 0.790 376 S HN 0.230 nan 8.310 nan 0.000 0.504 377 T N -1.046 113.587 114.554 0.131 0.000 2.868 377 T HA 0.683 5.009 4.350 -0.040 0.000 0.292 377 T C 1.410 176.206 174.700 0.159 0.000 1.028 377 T CA -0.195 61.972 62.100 0.111 0.000 1.059 377 T CB 1.237 70.143 68.868 0.062 0.000 0.991 377 T HN 0.209 nan 8.240 nan 0.000 0.531 378 A N 1.655 124.542 122.820 0.110 0.000 1.930 378 A HA 0.083 4.379 4.320 -0.040 0.000 0.217 378 A C 2.300 179.945 177.584 0.102 0.000 1.175 378 A CA 0.938 53.032 52.037 0.095 0.000 0.627 378 A CB -0.913 18.127 19.000 0.067 0.000 0.815 378 A HN 0.902 nan 8.150 nan 0.000 0.443 379 I N -1.561 119.074 120.570 0.109 0.000 2.127 379 I HA -0.278 3.868 4.170 -0.040 0.000 0.241 379 I C 2.426 178.640 176.117 0.162 0.000 1.075 379 I CA 2.078 63.444 61.300 0.110 0.000 1.334 379 I CB -0.511 37.548 38.000 0.099 0.000 1.040 379 I HN 0.486 nan 8.210 nan 0.000 0.405 380 F N 2.132 122.160 119.950 0.130 0.000 2.113 380 F HA -0.179 4.324 4.527 -0.040 0.000 0.297 380 F C 2.472 178.441 175.800 0.282 0.000 1.103 380 F CA 1.623 59.767 58.000 0.241 0.000 1.248 380 F CB -0.312 38.829 39.000 0.235 0.000 0.999 380 F HN -0.162 nan 8.300 nan 0.000 0.475 381 K N -0.068 120.312 120.400 -0.034 0.000 2.026 381 K HA -0.198 4.097 4.320 -0.040 0.000 0.208 381 K C 2.110 178.684 176.600 -0.045 0.000 1.048 381 K CA 1.946 58.175 56.287 -0.096 0.000 0.929 381 K CB -0.435 32.132 32.500 0.112 0.000 0.713 381 K HN 0.454 nan 8.250 nan 0.000 0.439 382 Q N 0.216 120.027 119.800 0.018 0.000 2.172 382 Q HA -0.025 4.290 4.340 -0.040 0.000 0.200 382 Q C 2.137 178.185 176.000 0.081 0.000 0.964 382 Q CA 1.034 56.864 55.803 0.044 0.000 0.855 382 Q CB 0.186 28.947 28.738 0.039 0.000 0.918 382 Q HN 0.192 nan 8.270 nan 0.000 0.444 383 S N 0.002 115.750 115.700 0.081 0.000 2.406 383 S HA -0.120 4.326 4.470 -0.040 0.000 0.228 383 S C 1.516 176.350 174.600 0.390 0.000 1.020 383 S CA 0.626 58.931 58.200 0.175 0.000 0.965 383 S CB -0.226 63.015 63.200 0.068 0.000 0.798 383 S HN 0.413 nan 8.310 nan 0.000 0.488 384 Y N 2.580 122.900 120.300 0.035 0.000 2.133 384 Y HA 0.010 4.536 4.550 -0.040 0.000 0.287 384 Y C 1.808 177.828 175.900 0.200 0.000 1.134 384 Y CA 1.156 59.260 58.100 0.008 0.000 1.133 384 Y CB -0.626 37.469 38.460 -0.608 0.000 0.987 384 Y HN 0.120 nan 8.280 nan 0.000 0.502 385 L N -0.089 121.161 121.223 0.044 0.000 2.191 385 L HA -0.212 4.103 4.340 -0.040 0.000 0.212 385 L C 2.485 179.434 176.870 0.131 0.000 1.103 385 L CA 1.295 56.174 54.840 0.065 0.000 0.769 385 L CB -0.501 41.592 42.059 0.056 0.000 0.908 385 L HN 0.203 nan 8.230 nan 0.000 0.438 386 R N -0.284 120.315 120.500 0.165 0.000 2.148 386 R HA -0.130 4.186 4.340 -0.040 0.000 0.223 386 R C 2.148 178.477 176.300 0.048 0.000 1.088 386 R CA 0.714 56.919 56.100 0.174 0.000 0.985 386 R CB -0.253 30.234 30.300 0.312 0.000 0.880 386 R HN 0.192 nan 8.270 nan 0.000 0.451 387 L N 0.185 121.383 121.223 -0.043 0.000 2.187 387 L HA -0.103 4.213 4.340 -0.040 0.000 0.213 387 L C 0.693 177.241 176.870 -0.536 0.000 1.100 387 L CA 1.704 56.303 54.840 -0.402 0.000 0.765 387 L CB -0.103 41.694 42.059 -0.437 0.000 0.904 387 L HN -0.004 nan 8.230 nan 0.000 0.437 388 F N 0.415 120.330 119.950 -0.059 0.000 2.819 388 F HA 0.482 4.985 4.527 -0.040 0.000 0.294 388 F C 1.186 176.970 175.800 -0.026 0.000 1.166 388 F CA -0.230 57.740 58.000 -0.050 0.000 1.374 388 F CB -0.946 37.988 39.000 -0.110 0.000 0.956 388 F HN 0.040 nan 8.300 nan 0.000 0.509 389 A N 0.903 123.764 122.820 0.070 0.000 2.445 389 A HA 0.417 4.713 4.320 -0.040 0.000 0.242 389 A C 0.314 177.935 177.584 0.061 0.000 1.075 389 A CA -0.241 51.837 52.037 0.069 0.000 0.777 389 A CB 0.368 19.407 19.000 0.064 0.000 1.013 389 A HN 0.415 nan 8.150 nan 0.000 0.493 390 K N 0.822 121.256 120.400 0.057 0.000 2.208 390 K HA 0.408 4.703 4.320 -0.040 0.000 0.247 390 K C -0.685 175.937 176.600 0.036 0.000 0.953 390 K CA -0.789 55.528 56.287 0.050 0.000 0.837 390 K CB 1.232 33.755 32.500 0.039 0.000 1.131 390 K HN 0.840 nan 8.250 nan 0.000 0.431 391 D N 0.554 120.981 120.400 0.045 0.000 2.447 391 D HA -0.016 4.600 4.640 -0.040 0.000 0.265 391 D C 0.668 176.979 176.300 0.019 0.000 1.250 391 D CA -0.246 53.782 54.000 0.046 0.000 1.046 391 D CB 0.460 41.319 40.800 0.099 0.000 1.095 391 D HN 0.351 nan 8.370 nan 0.000 0.555 392 E N -0.484 119.729 120.200 0.022 0.000 2.209 392 E HA -0.177 4.149 4.350 -0.040 0.000 0.196 392 E C 1.242 177.816 176.600 -0.042 0.000 0.993 392 E CA 1.088 57.487 56.400 -0.002 0.000 0.819 392 E CB -0.147 29.560 29.700 0.011 0.000 0.745 392 E HN 0.529 nan 8.360 nan 0.000 0.477 393 E N -0.755 119.408 120.200 -0.061 0.000 2.489 393 E HA 0.128 4.454 4.350 -0.040 0.000 0.193 393 E C 1.119 177.442 176.600 -0.462 0.000 1.057 393 E CA 0.600 56.881 56.400 -0.199 0.000 0.866 393 E CB 0.386 30.014 29.700 -0.120 0.000 0.916 393 E HN 0.337 nan 8.360 nan 0.000 0.500 394 G N -0.370 108.248 108.800 -0.304 0.000 2.175 394 G HA2 -0.296 3.640 3.960 -0.040 0.000 0.244 394 G HA3 -0.296 3.640 3.960 -0.040 0.000 0.244 394 G C -0.178 174.573 174.900 -0.249 0.000 0.982 394 G CA -0.191 44.736 45.100 -0.289 0.000 0.641 394 G HN 0.321 nan 8.290 nan 0.000 0.527 395 Y N -0.200 120.144 120.300 0.074 0.000 2.403 395 Y HA 0.645 5.170 4.550 -0.041 0.000 0.323 395 Y C 1.382 177.304 175.900 0.037 0.000 1.226 395 Y CA -1.361 56.783 58.100 0.073 0.000 1.235 395 Y CB 0.875 39.402 38.460 0.112 0.000 1.248 395 Y HN 0.040 nan 8.280 nan 0.000 0.489 396 L N 2.567 123.920 121.223 0.216 0.000 2.490 396 L HA 0.006 4.322 4.340 -0.040 0.000 0.274 396 L C 1.215 178.085 176.870 -0.000 0.000 1.201 396 L CA 0.234 55.143 54.840 0.116 0.000 0.869 396 L CB 0.505 42.665 42.059 0.169 0.000 1.123 396 L HN 0.742 nan 8.230 nan 0.000 0.484 397 K N 2.917 123.299 120.400 -0.030 0.000 2.097 397 K HA -0.091 4.205 4.320 -0.040 0.000 0.205 397 K C 0.864 177.348 176.600 -0.194 0.000 1.050 397 K CA 0.901 57.125 56.287 -0.105 0.000 0.938 397 K CB -0.046 32.394 32.500 -0.100 0.000 0.718 397 K HN 0.638 nan 8.250 nan 0.000 0.442 398 M N 0.253 119.730 119.600 -0.205 0.000 2.246 398 M HA 0.149 4.605 4.480 -0.040 0.000 0.327 398 M C -0.321 175.697 176.300 -0.470 0.000 1.090 398 M CA 0.431 55.524 55.300 -0.345 0.000 1.087 398 M CB 0.478 32.863 32.600 -0.358 0.000 1.587 398 M HN -0.064 nan 8.290 nan 0.000 0.444 399 A N 2.670 125.139 122.820 -0.585 0.000 2.515 399 A HA 0.942 5.238 4.320 -0.040 0.000 0.296 399 A C -1.470 175.742 177.584 -0.619 0.000 1.094 399 A CA -0.837 50.931 52.037 -0.449 0.000 0.718 399 A CB 1.183 20.120 19.000 -0.105 0.000 1.307 399 A HN 0.863 nan 8.150 nan 0.000 0.408 400 F N -0.569 119.426 119.950 0.073 0.000 2.740 400 F HA 0.551 5.054 4.527 -0.040 0.000 0.357 400 F C 0.934 176.778 175.800 0.075 0.000 1.141 400 F CA -0.450 57.570 58.000 0.035 0.000 1.044 400 F CB 0.694 39.689 39.000 -0.008 0.000 1.430 400 F HN 0.621 nan 8.300 nan 0.000 0.518 401 N N 0.595 119.463 118.700 0.280 0.000 2.689 401 N HA -0.150 4.566 4.740 -0.040 0.000 0.263 401 N C -0.568 175.038 175.510 0.160 0.000 0.987 401 N CA 0.588 53.736 53.050 0.164 0.000 0.782 401 N CB -0.898 37.664 38.487 0.126 0.000 0.903 401 N HN 0.996 nan 8.380 nan 0.000 0.547 402 G N 1.048 109.929 108.800 0.134 0.000 2.415 402 G HA2 0.361 4.296 3.960 -0.040 0.000 0.269 402 G HA3 0.361 4.296 3.960 -0.040 0.000 0.269 402 G C -0.361 174.593 174.900 0.090 0.000 1.209 402 G CA -0.526 44.648 45.100 0.124 0.000 0.835 402 G HN 0.522 nan 8.290 nan 0.000 0.534 403 N N 1.834 120.598 118.700 0.107 0.000 2.519 403 N HA 0.247 4.962 4.740 -0.040 0.000 0.286 403 N C -1.231 174.347 175.510 0.114 0.000 1.079 403 N CA -0.464 52.641 53.050 0.091 0.000 0.878 403 N CB 1.662 40.196 38.487 0.077 0.000 1.375 403 N HN 0.432 nan 8.380 nan 0.000 0.514 404 M N 3.545 123.223 119.600 0.130 0.000 2.114 404 M HA 0.539 4.995 4.480 -0.040 0.000 0.332 404 M C -1.078 175.365 176.300 0.237 0.000 1.014 404 M CA -0.550 54.863 55.300 0.188 0.000 0.956 404 M CB 1.138 33.825 32.600 0.145 0.000 1.551 404 M HN 0.592 nan 8.290 nan 0.000 0.427 405 A N 4.967 127.896 122.820 0.182 0.000 2.318 405 A HA 0.714 5.009 4.320 -0.040 0.000 0.324 405 A C -1.118 176.540 177.584 0.123 0.000 1.170 405 A CA -0.612 51.495 52.037 0.117 0.000 0.810 405 A CB 1.261 20.296 19.000 0.058 0.000 1.198 405 A HN 0.624 nan 8.150 nan 0.000 0.484 406 V N 4.402 124.378 119.914 0.103 0.000 2.347 406 V HA 0.334 4.430 4.120 -0.040 0.000 0.280 406 V C -0.403 175.678 176.094 -0.022 0.000 1.021 406 V CA -0.663 61.625 62.300 -0.021 0.000 0.847 406 V CB 1.384 33.233 31.823 0.042 0.000 0.990 406 V HN 0.834 nan 8.190 nan 0.000 0.444 407 K N 3.378 123.743 120.400 -0.059 0.000 2.182 407 K HA 0.735 5.030 4.320 -0.040 0.000 0.262 407 K C -0.062 176.548 176.600 0.015 0.000 0.957 407 K CA -0.398 55.891 56.287 0.003 0.000 0.842 407 K CB 2.131 34.647 32.500 0.025 0.000 1.099 407 K HN 0.841 nan 8.250 nan 0.000 0.438 408 T N -2.259 112.333 114.554 0.063 0.000 2.903 408 T HA 0.417 4.743 4.350 -0.040 0.000 0.299 408 T C 0.079 174.838 174.700 0.098 0.000 1.093 408 T CA -0.783 61.373 62.100 0.092 0.000 1.002 408 T CB 1.344 70.302 68.868 0.151 0.000 1.127 408 T HN 0.261 nan 8.240 nan 0.000 0.488 409 S N 0.769 116.541 115.700 0.120 0.000 2.580 409 S HA 0.143 4.588 4.470 -0.040 0.000 0.266 409 S C 1.449 176.116 174.600 0.112 0.000 1.354 409 S CA -0.811 57.468 58.200 0.131 0.000 1.008 409 S CB 0.393 63.710 63.200 0.196 0.000 0.898 409 S HN 0.780 nan 8.310 nan 0.000 0.555 410 K N 0.840 121.301 120.400 0.102 0.000 2.286 410 K HA -0.157 4.139 4.320 -0.040 0.000 0.203 410 K C 0.632 177.290 176.600 0.097 0.000 1.045 410 K CA 1.490 57.829 56.287 0.086 0.000 0.935 410 K CB -0.337 32.206 32.500 0.072 0.000 0.737 410 K HN 0.602 nan 8.250 nan 0.000 0.460 411 D N 0.027 120.499 120.400 0.120 0.000 2.328 411 D HA 0.032 4.648 4.640 -0.040 0.000 0.226 411 D C -0.164 176.202 176.300 0.110 0.000 1.066 411 D CA 0.061 54.133 54.000 0.121 0.000 0.861 411 D CB 0.064 40.955 40.800 0.153 0.000 0.912 411 D HN -0.047 nan 8.370 nan 0.000 0.521 412 L N 0.497 121.789 121.223 0.116 0.000 2.438 412 L HA 0.387 4.703 4.340 -0.040 0.000 0.270 412 L C -1.085 175.884 176.870 0.164 0.000 0.972 412 L CA -0.602 54.321 54.840 0.137 0.000 0.831 412 L CB 1.961 44.100 42.059 0.133 0.000 1.273 412 L HN -0.316 nan 8.230 nan 0.000 0.405 413 K N 2.790 123.292 120.400 0.171 0.000 2.166 413 K HA 0.709 5.004 4.320 -0.040 0.000 0.245 413 K C -1.143 175.570 176.600 0.188 0.000 0.967 413 K CA -0.728 55.649 56.287 0.149 0.000 0.863 413 K CB 2.368 34.929 32.500 0.101 0.000 1.107 413 K HN 0.301 nan 8.250 nan 0.000 0.436 414 V N 2.644 122.628 119.914 0.118 0.000 2.435 414 V HA 0.202 4.298 4.120 -0.040 0.000 0.290 414 V C 0.977 177.110 176.094 0.065 0.000 1.030 414 V CA -0.343 61.985 62.300 0.047 0.000 0.881 414 V CB 1.421 33.279 31.823 0.057 0.000 0.983 414 V HN 0.655 nan 8.190 nan 0.000 0.445 415 Q N 2.756 122.590 119.800 0.058 0.000 2.378 415 Q HA 0.443 4.759 4.340 -0.040 0.000 0.216 415 Q C 0.824 176.902 176.000 0.130 0.000 0.892 415 Q CA 0.578 56.435 55.803 0.090 0.000 0.931 415 Q CB 1.304 30.095 28.738 0.089 0.000 1.086 415 Q HN 1.024 nan 8.270 nan 0.000 0.528 416 G N 0.558 109.475 108.800 0.195 0.000 2.361 416 G HA2 0.176 4.112 3.960 -0.040 0.000 0.305 416 G HA3 0.176 4.112 3.960 -0.040 0.000 0.305 416 G C -2.379 172.575 174.900 0.090 0.000 1.367 416 G CA -0.953 44.313 45.100 0.277 0.000 0.951 416 G HN 0.052 nan 8.290 nan 0.000 0.615 417 L N -0.279 120.884 121.223 -0.099 0.000 2.370 417 L HA 0.906 5.222 4.340 -0.040 0.000 0.266 417 L C -0.778 175.988 176.870 -0.173 0.000 1.002 417 L CA -1.318 53.251 54.840 -0.452 0.000 0.818 417 L CB 1.758 42.932 42.059 -1.474 0.000 1.325 417 L HN 0.549 nan 8.230 nan 0.000 0.418 418 I N 4.327 124.853 120.570 -0.073 0.000 2.439 418 I HA 0.745 4.891 4.170 -0.040 0.000 0.283 418 I C 0.098 176.221 176.117 0.010 0.000 1.023 418 I CA -0.331 60.974 61.300 0.008 0.000 1.100 418 I CB 1.432 39.491 38.000 0.099 0.000 1.238 418 I HN 0.807 nan 8.210 nan 0.000 0.445 419 G N 3.875 112.728 108.800 0.088 0.000 2.315 419 G HA2 0.157 4.093 3.960 -0.040 0.000 0.294 419 G HA3 0.157 4.093 3.960 -0.040 0.000 0.294 419 G C -1.214 173.887 174.900 0.335 0.000 1.300 419 G CA -0.907 44.265 45.100 0.120 0.000 0.843 419 G HN 0.626 nan 8.290 nan 0.000 0.527 420 H N 0.701 119.853 119.070 0.137 0.000 3.045 420 H HA 0.530 5.062 4.556 -0.040 0.000 0.254 420 H C 0.609 176.081 175.328 0.241 0.000 1.747 420 H CA 0.390 56.548 56.048 0.183 0.000 1.444 420 H CB 0.101 29.972 29.762 0.182 0.000 1.778 420 H HN 0.770 nan 8.280 nan 0.000 0.544 421 A N 1.774 124.767 122.820 0.289 0.000 2.588 421 A HA 0.597 4.893 4.320 -0.040 0.000 0.290 421 A C -0.962 176.743 177.584 0.203 0.000 1.136 421 A CA -0.754 51.406 52.037 0.205 0.000 0.681 421 A CB 2.087 21.153 19.000 0.109 0.000 1.282 421 A HN 0.390 nan 8.150 nan 0.000 0.421 422 S N -0.721 115.108 115.700 0.215 0.000 2.526 422 S HA 0.685 5.131 4.470 -0.040 0.000 0.293 422 S C -0.178 174.573 174.600 0.250 0.000 1.092 422 S CA 0.154 58.474 58.200 0.200 0.000 0.980 422 S CB 1.374 64.644 63.200 0.117 0.000 1.048 422 S HN 2.086 nan 8.310 nan 0.000 0.483 423 A N 3.336 126.276 122.820 0.200 0.000 2.450 423 A HA 0.524 4.819 4.320 -0.040 0.000 0.255 423 A C -0.227 177.315 177.584 -0.070 0.000 1.096 423 A CA -0.289 51.767 52.037 0.032 0.000 0.778 423 A CB 0.046 19.059 19.000 0.022 0.000 1.031 423 A HN 0.791 nan 8.150 nan 0.000 0.494 424 V N 4.721 124.522 119.914 -0.188 0.000 2.385 424 V HA 0.191 4.287 4.120 -0.040 0.000 0.269 424 V C 0.468 176.463 176.094 -0.164 0.000 1.043 424 V CA -0.064 62.153 62.300 -0.138 0.000 0.906 424 V CB 0.705 32.445 31.823 -0.138 0.000 0.995 424 V HN 0.967 nan 8.190 nan 0.000 0.467 425 K N 3.045 123.383 120.400 -0.103 0.000 2.210 425 K HA 0.588 4.884 4.320 -0.040 0.000 0.236 425 K C 0.174 176.731 176.600 -0.072 0.000 1.016 425 K CA -0.942 55.290 56.287 -0.092 0.000 0.913 425 K CB 0.760 33.223 32.500 -0.061 0.000 1.141 425 K HN 0.464 nan 8.250 nan 0.000 0.462 426 K N -0.193 120.170 120.400 -0.061 0.000 3.192 426 K HA -0.184 4.112 4.320 -0.040 0.000 0.278 426 K C -0.313 176.262 176.600 -0.041 0.000 1.164 426 K CA 0.639 56.900 56.287 -0.043 0.000 0.816 426 K CB -1.672 30.810 32.500 -0.031 0.000 1.256 426 K HN 0.718 nan 8.250 nan 0.000 0.497 427 T N 1.173 115.690 114.554 -0.061 0.000 2.882 427 T HA 0.138 4.464 4.350 -0.040 0.000 0.287 427 T C -0.321 174.367 174.700 -0.020 0.000 1.014 427 T CA -0.575 61.493 62.100 -0.053 0.000 1.049 427 T CB 0.669 69.478 68.868 -0.099 0.000 1.001 427 T HN 0.271 nan 8.240 nan 0.000 0.525 428 D N 2.150 122.564 120.400 0.023 0.000 2.412 428 D HA 0.509 5.125 4.640 -0.040 0.000 0.224 428 D C -0.834 175.505 176.300 0.064 0.000 1.093 428 D CA -0.666 53.391 54.000 0.095 0.000 0.850 428 D CB 0.830 41.797 40.800 0.279 0.000 1.046 428 D HN 0.647 nan 8.370 nan 0.000 0.507 429 A N 2.945 125.763 122.820 -0.004 0.000 2.513 429 A HA 0.293 4.588 4.320 -0.040 0.000 0.296 429 A C 0.251 177.814 177.584 -0.035 0.000 1.052 429 A CA -0.924 51.107 52.037 -0.011 0.000 0.714 429 A CB 1.135 20.116 19.000 -0.033 0.000 1.279 429 A HN 0.499 nan 8.150 nan 0.000 0.397 430 N N 1.566 120.254 118.700 -0.021 0.000 2.424 430 N HA -0.091 4.624 4.740 -0.040 0.000 0.178 430 N C 0.361 175.873 175.510 0.002 0.000 1.060 430 N CA 0.767 53.803 53.050 -0.023 0.000 0.901 430 N CB 0.210 38.688 38.487 -0.015 0.000 0.979 430 N HN 0.765 nan 8.380 nan 0.000 0.451 431 N N 1.165 119.874 118.700 0.014 0.000 2.378 431 N HA 0.102 4.817 4.740 -0.040 0.000 0.243 431 N C -0.479 175.050 175.510 0.032 0.000 1.137 431 N CA -0.186 52.887 53.050 0.038 0.000 0.862 431 N CB -0.390 38.135 38.487 0.064 0.000 1.116 431 N HN 0.172 nan 8.380 nan 0.000 0.499 432 I N 0.544 121.118 120.570 0.006 0.000 2.307 432 I HA 0.105 4.251 4.170 -0.040 0.000 0.289 432 I C 0.544 176.671 176.117 0.017 0.000 1.021 432 I CA -0.713 60.587 61.300 -0.000 0.000 1.224 432 I CB 1.097 39.075 38.000 -0.037 0.000 1.376 432 I HN 0.064 nan 8.210 nan 0.000 0.470 433 S N 4.078 119.800 115.700 0.037 0.000 2.568 433 S HA 0.018 4.464 4.470 -0.040 0.000 0.282 433 S C 1.159 175.778 174.600 0.032 0.000 1.338 433 S CA -0.284 57.942 58.200 0.044 0.000 1.045 433 S CB 0.681 63.918 63.200 0.062 0.000 0.873 433 S HN 0.622 nan 8.310 nan 0.000 0.516 434 E N 2.337 122.555 120.200 0.030 0.000 2.274 434 E HA 0.081 4.407 4.350 -0.040 0.000 0.194 434 E C 0.712 177.328 176.600 0.027 0.000 0.996 434 E CA 0.457 56.871 56.400 0.024 0.000 0.840 434 E CB -0.087 29.626 29.700 0.022 0.000 0.772 434 E HN 0.350 nan 8.360 nan 0.000 0.491 435 S N 0.136 115.857 115.700 0.034 0.000 2.681 435 S HA 0.330 4.776 4.470 -0.040 0.000 0.270 435 S C -0.114 174.503 174.600 0.028 0.000 1.209 435 S CA -0.609 57.609 58.200 0.031 0.000 0.988 435 S CB 0.853 64.075 63.200 0.037 0.000 1.006 435 S HN 0.054 nan 8.310 nan 0.000 0.558 436 E N 0.437 120.645 120.200 0.013 0.000 2.308 436 E HA 0.499 4.825 4.350 -0.040 0.000 0.275 436 E C -1.460 175.106 176.600 -0.057 0.000 0.890 436 E CA -0.299 56.102 56.400 0.001 0.000 0.754 436 E CB 1.811 31.521 29.700 0.016 0.000 1.207 436 E HN 0.390 nan 8.360 nan 0.000 0.426 437 I N 2.376 122.884 120.570 -0.103 0.000 2.534 437 I HA 0.458 4.603 4.170 -0.040 0.000 0.288 437 I C 0.679 176.616 176.117 -0.300 0.000 1.077 437 I CA -0.384 60.744 61.300 -0.286 0.000 1.051 437 I CB 1.710 39.403 38.000 -0.512 0.000 1.234 437 I HN 0.836 nan 8.210 nan 0.000 0.425 438 G N 6.658 115.138 108.800 -0.533 0.000 2.536 438 G HA2 -0.265 3.671 3.960 -0.040 0.000 0.280 438 G HA3 -0.265 3.671 3.960 -0.040 0.000 0.280 438 G C -0.047 174.746 174.900 -0.179 0.000 1.152 438 G CA -0.313 44.382 45.100 -0.675 0.000 0.970 438 G HN 0.577 nan 8.290 nan 0.000 0.549 439 I N 3.243 123.819 120.570 0.010 0.000 2.268 439 I HA 0.509 4.655 4.170 -0.040 0.000 0.290 439 I C 1.326 177.634 176.117 0.318 0.000 1.125 439 I CA 0.254 61.674 61.300 0.200 0.000 1.236 439 I CB 0.204 38.382 38.000 0.297 0.000 1.469 439 I HN 0.719 nan 8.210 nan 0.000 0.512 440 G N 3.620 112.532 108.800 0.188 0.000 2.583 440 G HA2 0.560 4.496 3.960 -0.040 0.000 0.280 440 G HA3 0.560 4.496 3.960 -0.040 0.000 0.280 440 G C 0.576 175.534 174.900 0.096 0.000 1.376 440 G CA -0.024 45.178 45.100 0.171 0.000 1.043 440 G HN 0.776 nan 8.290 nan 0.000 0.538 441 A N -2.229 120.618 122.820 0.044 0.000 2.945 441 A HA 0.049 4.345 4.320 -0.040 0.000 0.251 441 A C 0.625 178.161 177.584 -0.080 0.000 1.355 441 A CA 1.998 54.029 52.037 -0.009 0.000 0.905 441 A CB -1.983 17.015 19.000 -0.003 0.000 1.104 441 A HN 2.103 nan 8.150 nan 0.000 0.733 442 T N -1.927 112.546 114.554 -0.135 0.000 2.733 442 T HA 0.590 4.915 4.350 -0.040 0.000 0.312 442 T C 0.374 174.766 174.700 -0.514 0.000 1.590 442 T CA 0.859 62.757 62.100 -0.336 0.000 1.005 442 T CB 1.117 69.685 68.868 -0.499 0.000 1.528 442 T HN 1.536 nan 8.240 nan 0.000 0.496 443 S N 0.367 115.696 115.700 -0.619 0.000 2.846 443 S HA 0.407 4.853 4.470 -0.040 0.000 0.249 443 S C -0.076 174.058 174.600 -0.775 0.000 1.028 443 S CA -0.366 57.487 58.200 -0.578 0.000 1.043 443 S CB 0.309 63.411 63.200 -0.163 0.000 0.990 443 S HN 0.685 nan 8.310 nan 0.000 0.564 444 T N 2.304 116.183 114.554 -1.125 0.000 2.886 444 T HA 0.574 4.900 4.350 -0.040 0.000 0.292 444 T C -1.502 172.702 174.700 -0.826 0.000 1.012 444 T CA -0.491 61.225 62.100 -0.641 0.000 0.982 444 T CB 1.219 69.898 68.868 -0.314 0.000 1.018 444 T HN 0.396 nan 8.240 nan 0.000 0.451 445 W N 2.197 123.474 121.300 -0.037 0.000 3.031 445 W HA 0.513 5.148 4.660 -0.042 0.000 0.337 445 W C -0.561 175.923 176.519 -0.058 0.000 1.187 445 W CA -1.040 56.276 57.345 -0.049 0.000 1.166 445 W CB 2.158 31.570 29.460 -0.079 0.000 1.437 445 W HN 0.607 nan 8.180 nan 0.000 0.551 446 K N 0.780 121.288 120.400 0.180 0.000 2.318 446 K HA 0.869 5.165 4.320 -0.040 0.000 0.249 446 K C -1.071 175.578 176.600 0.081 0.000 0.942 446 K CA -1.019 55.325 56.287 0.094 0.000 0.808 446 K CB 2.174 34.710 32.500 0.060 0.000 1.189 446 K HN 0.266 nan 8.250 nan 0.000 0.428 447 M N 2.491 122.120 119.600 0.049 0.000 2.022 447 M HA 0.292 4.748 4.480 -0.040 0.000 0.298 447 M C 0.484 176.819 176.300 0.058 0.000 0.909 447 M CA -0.333 54.993 55.300 0.044 0.000 0.914 447 M CB 1.694 34.288 32.600 -0.010 0.000 1.486 447 M HN 0.939 nan 8.290 nan 0.000 0.415 448 A N 1.095 123.963 122.820 0.081 0.000 1.958 448 A HA -0.020 4.276 4.320 -0.040 0.000 0.221 448 A C 0.933 178.621 177.584 0.172 0.000 1.178 448 A CA 1.547 53.653 52.037 0.116 0.000 0.642 448 A CB -0.029 19.036 19.000 0.109 0.000 0.816 448 A HN 0.630 nan 8.150 nan 0.000 0.453 449 S N -1.624 114.122 115.700 0.077 0.000 2.549 449 S HA 0.651 5.097 4.470 -0.040 0.000 0.280 449 S C -1.160 173.289 174.600 -0.251 0.000 1.109 449 S CA -0.571 57.606 58.200 -0.039 0.000 0.905 449 S CB 1.673 64.881 63.200 0.013 0.000 1.081 449 S HN 0.696 nan 8.310 nan 0.000 0.477 450 L N 0.152 121.147 121.223 -0.380 0.000 2.801 450 L HA 1.005 5.321 4.340 -0.040 0.000 0.264 450 L C -0.298 176.351 176.870 -0.368 0.000 1.086 450 L CA -0.890 53.603 54.840 -0.578 0.000 0.920 450 L CB 0.618 42.474 42.059 -0.339 0.000 1.529 450 L HN 0.750 nan 8.230 nan 0.000 0.399 451 S N -2.918 112.671 115.700 -0.185 0.000 2.683 451 S HA 0.718 5.164 4.470 -0.040 0.000 0.269 451 S C -2.774 171.658 174.600 -0.281 0.000 1.165 451 S CA -0.726 57.359 58.200 -0.192 0.000 0.840 451 S CB 1.144 64.280 63.200 -0.106 0.000 1.169 451 S HN 0.469 nan 8.310 nan 0.000 0.490 452 P HA 0.236 nan 4.420 nan 0.000 0.245 452 P C -0.333 176.491 177.300 -0.792 0.000 1.212 452 P CA 0.786 63.465 63.100 -0.702 0.000 0.774 452 P CB -0.390 30.799 31.700 -0.851 0.000 0.999 453 Y N -2.681 117.510 120.300 -0.181 0.000 2.720 453 Y HA 0.255 4.781 4.550 -0.040 0.000 0.268 453 Y C 0.355 175.980 175.900 -0.458 0.000 1.142 453 Y CA -0.773 57.167 58.100 -0.267 0.000 1.193 453 Y CB -0.038 38.297 38.460 -0.209 0.000 1.176 453 Y HN -0.017 nan 8.280 nan 0.000 0.542 454 H N -0.304 118.573 119.070 -0.323 0.000 2.505 454 H HA 0.545 5.077 4.556 -0.041 0.000 0.338 454 H C -0.592 174.311 175.328 -0.708 0.000 1.057 454 H CA -0.399 55.334 56.048 -0.526 0.000 1.202 454 H CB 1.600 31.101 29.762 -0.435 0.000 1.466 454 H HN -0.047 nan 8.280 nan 0.000 0.499 455 S N 2.446 117.647 115.700 -0.833 0.000 2.536 455 S HA 0.478 4.924 4.470 -0.040 0.000 0.287 455 S C -1.496 172.531 174.600 -0.955 0.000 1.101 455 S CA -0.734 57.016 58.200 -0.751 0.000 0.950 455 S CB 0.790 63.672 63.200 -0.529 0.000 1.056 455 S HN 0.423 nan 8.310 nan 0.000 0.481 456 Y N 0.553 120.688 120.300 -0.274 0.000 2.485 456 Y HA 0.719 5.244 4.550 -0.042 0.000 0.345 456 Y C 0.170 175.895 175.900 -0.292 0.000 0.998 456 Y CA -1.116 56.824 58.100 -0.266 0.000 1.059 456 Y CB 1.383 39.697 38.460 -0.243 0.000 1.234 456 Y HN 0.713 nan 8.280 nan 0.000 0.461 457 A N 3.517 126.221 122.820 -0.194 0.000 2.305 457 A HA 0.838 5.134 4.320 -0.040 0.000 0.322 457 A C -0.885 176.396 177.584 -0.506 0.000 1.187 457 A CA -0.556 51.252 52.037 -0.382 0.000 0.825 457 A CB 0.148 18.950 19.000 -0.330 0.000 1.164 457 A HN 0.736 nan 8.150 nan 0.000 0.498 458 I N 1.610 121.769 120.570 -0.684 0.000 2.498 458 I HA 0.430 4.576 4.170 -0.040 0.000 0.290 458 I C -1.367 174.172 176.117 -0.964 0.000 1.032 458 I CA -0.237 60.657 61.300 -0.676 0.000 1.073 458 I CB 1.955 39.681 38.000 -0.455 0.000 1.251 458 I HN 0.546 nan 8.210 nan 0.000 0.426 459 F N 5.338 125.033 119.950 -0.425 0.000 2.444 459 F HA 0.573 5.077 4.527 -0.038 0.000 0.342 459 F C -0.262 175.314 175.800 -0.372 0.000 1.121 459 F CA -0.553 57.291 58.000 -0.261 0.000 0.997 459 F CB 1.020 39.964 39.000 -0.094 0.000 1.130 459 F HN 0.139 nan 8.300 nan 0.000 0.454 460 F N 0.639 120.671 119.950 0.135 0.000 2.457 460 F HA 0.544 5.049 4.527 -0.036 0.000 0.330 460 F C 0.020 175.851 175.800 0.053 0.000 1.069 460 F CA -1.036 57.005 58.000 0.068 0.000 1.009 460 F CB 1.072 40.060 39.000 -0.019 0.000 1.276 460 F HN 0.344 nan 8.300 nan 0.000 0.492 461 E N 1.096 121.440 120.200 0.239 0.000 2.260 461 E HA 0.300 4.625 4.350 -0.040 0.000 0.266 461 E C -1.329 175.333 176.600 0.104 0.000 0.887 461 E CA -0.685 55.797 56.400 0.137 0.000 0.777 461 E CB 1.367 31.135 29.700 0.113 0.000 1.205 461 E HN 0.368 nan 8.360 nan 0.000 0.414 462 I N 4.393 125.000 120.570 0.062 0.000 2.691 462 I HA -0.046 4.100 4.170 -0.040 0.000 0.288 462 I C 1.549 177.707 176.117 0.069 0.000 1.143 462 I CA 0.587 61.922 61.300 0.058 0.000 1.364 462 I CB -0.454 37.569 38.000 0.039 0.000 1.435 462 I HN 0.706 nan 8.210 nan 0.000 0.551 463 A N 6.973 129.840 122.820 0.079 0.000 1.884 463 A HA -0.230 4.066 4.320 -0.040 0.000 0.219 463 A C 1.414 179.036 177.584 0.063 0.000 1.197 463 A CA 1.221 53.301 52.037 0.072 0.000 0.637 463 A CB -0.552 18.493 19.000 0.076 0.000 0.827 463 A HN 0.804 nan 8.150 nan 0.000 0.450 464 N N 0.698 119.439 118.700 0.068 0.000 2.217 464 N HA -0.037 4.679 4.740 -0.040 0.000 0.268 464 N C -0.175 175.368 175.510 0.054 0.000 1.290 464 N CA 0.926 54.014 53.050 0.063 0.000 0.831 464 N CB 0.299 38.830 38.487 0.073 0.000 1.057 464 N HN 0.428 nan 8.380 nan 0.000 0.481 484 L N 0.854 121.892 121.223 -0.308 0.000 2.393 484 L HA 0.816 5.131 4.340 -0.040 0.000 0.260 484 L C -0.690 175.913 176.870 -0.444 0.000 1.002 484 L CA -0.901 53.671 54.840 -0.446 0.000 0.818 484 L CB 2.336 44.130 42.059 -0.442 0.000 1.369 484 L HN 0.854 nan 8.230 nan 0.000 0.412 485 A N 1.206 123.697 122.820 -0.549 0.000 2.356 485 A HA 0.819 5.114 4.320 -0.040 0.000 0.310 485 A C -1.835 175.485 177.584 -0.439 0.000 1.075 485 A CA -0.322 51.541 52.037 -0.289 0.000 0.746 485 A CB 0.950 19.854 19.000 -0.162 0.000 1.221 485 A HN 0.521 nan 8.150 nan 0.000 0.443 486 Y N 0.474 120.698 120.300 -0.128 0.000 2.393 486 Y HA 0.646 5.164 4.550 -0.054 0.000 0.341 486 Y C 0.475 176.308 175.900 -0.111 0.000 0.988 486 Y CA -0.375 57.620 58.100 -0.175 0.000 1.078 486 Y CB 2.647 41.017 38.460 -0.150 0.000 1.203 486 Y HN 0.556 nan 8.280 nan 0.000 0.453 487 T N 3.365 117.924 114.554 0.009 0.000 2.879 487 T HA 0.324 4.650 4.350 -0.040 0.000 0.290 487 T C -1.171 173.488 174.700 -0.067 0.000 0.993 487 T CA -0.896 61.175 62.100 -0.048 0.000 0.975 487 T CB 1.380 70.192 68.868 -0.093 0.000 0.981 487 T HN 0.570 nan 8.240 nan 0.000 0.439 488 Q N 2.585 122.308 119.800 -0.127 0.000 2.337 488 Q HA 0.605 4.920 4.340 -0.040 0.000 0.266 488 Q C -1.617 174.252 176.000 -0.217 0.000 1.023 488 Q CA -0.788 54.989 55.803 -0.042 0.000 0.829 488 Q CB 0.970 29.748 28.738 0.068 0.000 1.306 488 Q HN 0.550 nan 8.270 nan 0.000 0.449 489 F N 4.397 124.367 119.950 0.033 0.000 2.388 489 F HA 0.474 4.973 4.527 -0.045 0.000 0.358 489 F C -0.201 175.674 175.800 0.124 0.000 1.122 489 F CA -0.554 57.453 58.000 0.012 0.000 1.056 489 F CB 0.990 39.814 39.000 -0.293 0.000 1.155 489 F HN 0.364 nan 8.300 nan 0.000 0.461 490 I N 3.357 124.085 120.570 0.263 0.000 2.355 490 I HA 0.312 4.458 4.170 -0.040 0.000 0.288 490 I C -0.550 175.713 176.117 0.243 0.000 0.999 490 I CA -0.324 61.116 61.300 0.234 0.000 1.163 490 I CB 1.631 39.721 38.000 0.150 0.000 1.316 490 I HN 0.482 nan 8.210 nan 0.000 0.454 491 T N 3.857 118.574 114.554 0.272 0.000 2.893 491 T HA 0.260 4.585 4.350 -0.040 0.000 0.324 491 T C 0.097 174.981 174.700 0.306 0.000 1.082 491 T CA -0.486 61.764 62.100 0.250 0.000 0.983 491 T CB 0.824 69.820 68.868 0.213 0.000 1.005 491 T HN 0.439 nan 8.240 nan 0.000 0.475 492 T N 4.694 119.391 114.554 0.239 0.000 2.869 492 T HA 0.564 4.890 4.350 -0.040 0.000 0.295 492 T C -0.513 174.371 174.700 0.307 0.000 0.987 492 T CA -0.355 61.873 62.100 0.214 0.000 1.109 492 T CB 0.089 69.027 68.868 0.115 0.000 0.932 492 T HN 0.694 nan 8.240 nan 0.000 0.518 493 Y N 0.062 120.404 120.300 0.070 0.000 2.713 493 Y HA 0.527 5.052 4.550 -0.042 0.000 0.335 493 Y C -1.094 174.858 175.900 0.086 0.000 1.222 493 Y CA -1.545 56.597 58.100 0.069 0.000 1.061 493 Y CB 1.447 39.939 38.460 0.053 0.000 1.314 493 Y HN 0.470 nan 8.280 nan 0.000 0.453 494 Q N 2.712 122.582 119.800 0.116 0.000 2.360 494 Q HA 0.219 4.535 4.340 -0.040 0.000 0.254 494 Q C -1.114 174.950 176.000 0.106 0.000 0.975 494 Q CA -0.664 55.167 55.803 0.046 0.000 0.912 494 Q CB 0.511 29.344 28.738 0.159 0.000 1.212 494 Q HN 0.783 nan 8.270 nan 0.000 0.452 495 H N 2.485 121.465 119.070 -0.151 0.000 2.562 495 H HA 0.115 4.647 4.556 -0.040 0.000 0.352 495 H C 0.176 175.514 175.328 0.015 0.000 1.125 495 H CA 0.248 56.286 56.048 -0.016 0.000 1.379 495 H CB 1.483 31.176 29.762 -0.115 0.000 1.464 495 H HN 0.764 nan 8.280 nan 0.000 0.563 496 S N 2.312 117.853 115.700 -0.266 0.000 2.537 496 S HA -0.156 4.289 4.470 -0.040 0.000 0.240 496 S C 2.010 176.535 174.600 -0.126 0.000 0.981 496 S CA 0.987 59.145 58.200 -0.070 0.000 0.948 496 S CB -0.095 63.082 63.200 -0.038 0.000 0.759 496 S HN 0.718 nan 8.310 nan 0.000 0.531 497 S N 0.788 116.413 115.700 -0.126 0.000 2.522 497 S HA 0.274 4.720 4.470 -0.040 0.000 0.227 497 S C 1.387 175.792 174.600 -0.325 0.000 0.986 497 S CA 0.537 58.339 58.200 -0.663 0.000 0.929 497 S CB -0.235 62.672 63.200 -0.489 0.000 0.769 497 S HN 0.774 nan 8.310 nan 0.000 0.529 498 G N 0.803 109.538 108.800 -0.109 0.000 2.226 498 G HA2 -0.044 3.892 3.960 -0.040 0.000 0.176 498 G HA3 -0.044 3.892 3.960 -0.040 0.000 0.176 498 G C -0.057 174.816 174.900 -0.045 0.000 1.042 498 G CA -0.137 44.928 45.100 -0.058 0.000 0.732 498 G HN 1.332 nan 8.290 nan 0.000 0.494 499 T N -2.165 112.367 114.554 -0.036 0.000 2.923 499 T HA 0.631 4.957 4.350 -0.040 0.000 0.311 499 T C -0.716 173.933 174.700 -0.086 0.000 1.183 499 T CA -1.009 61.056 62.100 -0.058 0.000 1.020 499 T CB 1.926 70.743 68.868 -0.085 0.000 1.165 499 T HN 0.090 nan 8.240 nan 0.000 0.482 500 N N 2.309 120.955 118.700 -0.091 0.000 2.422 500 N HA 0.384 5.100 4.740 -0.040 0.000 0.264 500 N C -0.124 175.277 175.510 -0.181 0.000 1.063 500 N CA -0.405 52.567 53.050 -0.129 0.000 0.959 500 N CB 1.180 39.628 38.487 -0.065 0.000 1.087 500 N HN 0.514 nan 8.380 nan 0.000 0.483 501 R N 1.495 121.777 120.500 -0.363 0.000 2.923 501 R HA 0.688 5.003 4.340 -0.040 0.000 0.252 501 R C -0.288 175.932 176.300 -0.135 0.000 1.130 501 R CA -0.861 55.064 56.100 -0.292 0.000 1.043 501 R CB 1.662 31.721 30.300 -0.402 0.000 1.205 501 R HN 0.412 nan 8.270 nan 0.000 0.495 502 I N 1.634 122.261 120.570 0.095 0.000 2.529 502 I HA 0.337 4.483 4.170 -0.040 0.000 0.284 502 I C -0.487 175.840 176.117 0.351 0.000 1.088 502 I CA -0.873 60.569 61.300 0.238 0.000 1.062 502 I CB 1.697 39.793 38.000 0.159 0.000 1.218 502 I HN 0.217 nan 8.210 nan 0.000 0.442 503 R N 4.736 125.467 120.500 0.385 0.000 2.297 503 R HA 0.685 5.001 4.340 -0.040 0.000 0.308 503 R C -0.844 175.654 176.300 0.331 0.000 1.029 503 R CA -0.667 55.631 56.100 0.331 0.000 0.929 503 R CB 2.095 32.568 30.300 0.287 0.000 1.046 503 R HN 0.337 nan 8.270 nan 0.000 0.461 504 V N 2.099 122.203 119.914 0.316 0.000 2.656 504 V HA 0.486 4.582 4.120 -0.040 0.000 0.307 504 V C -0.179 176.091 176.094 0.293 0.000 1.051 504 V CA -0.639 61.851 62.300 0.317 0.000 0.893 504 V CB 2.457 34.481 31.823 0.336 0.000 0.999 504 V HN 0.730 nan 8.190 nan 0.000 0.426 505 T N 2.532 117.282 114.554 0.328 0.000 3.031 505 T HA 0.458 4.784 4.350 -0.040 0.000 0.305 505 T C -0.463 174.449 174.700 0.353 0.000 0.985 505 T CA -0.367 61.921 62.100 0.313 0.000 1.008 505 T CB 1.493 70.538 68.868 0.294 0.000 1.005 505 T HN 0.690 nan 8.240 nan 0.000 0.444 506 T N 2.966 117.706 114.554 0.311 0.000 2.829 506 T HA 0.775 5.101 4.350 -0.040 0.000 0.280 506 T C -0.119 174.742 174.700 0.268 0.000 0.999 506 T CA -0.714 61.559 62.100 0.288 0.000 0.983 506 T CB 1.415 70.481 68.868 0.330 0.000 0.968 506 T HN 0.633 nan 8.240 nan 0.000 0.446 507 V N -0.524 119.445 119.914 0.092 0.000 3.078 507 V HA 1.042 5.137 4.120 -0.040 0.000 0.311 507 V C -0.990 174.848 176.094 -0.426 0.000 1.138 507 V CA -1.416 60.852 62.300 -0.054 0.000 1.007 507 V CB 1.651 33.561 31.823 0.144 0.000 1.045 507 V HN 1.098 nan 8.190 nan 0.000 0.432 508 A N 2.570 125.036 122.820 -0.591 0.000 2.343 508 A HA 0.870 5.166 4.320 -0.040 0.000 0.316 508 A C -0.649 176.557 177.584 -0.630 0.000 1.104 508 A CA -0.767 50.783 52.037 -0.812 0.000 0.768 508 A CB 1.090 19.503 19.000 -0.979 0.000 1.213 508 A HN 0.909 nan 8.150 nan 0.000 0.456 509 N N 1.207 119.450 118.700 -0.763 0.000 2.238 509 N HA 0.313 5.028 4.740 -0.040 0.000 0.302 509 N C -1.062 173.954 175.510 -0.824 0.000 1.072 509 N CA -0.419 52.079 53.050 -0.921 0.000 0.792 509 N CB 2.298 39.810 38.487 -1.625 0.000 1.425 509 N HN 0.828 nan 8.380 nan 0.000 0.478 510 Q N 1.327 120.724 119.800 -0.672 0.000 2.259 510 Q HA 0.483 4.798 4.340 -0.040 0.000 0.246 510 Q C -1.267 174.467 176.000 -0.443 0.000 0.920 510 Q CA -0.395 55.126 55.803 -0.470 0.000 0.895 510 Q CB 0.811 29.373 28.738 -0.294 0.000 1.220 510 Q HN 0.429 nan 8.270 nan 0.000 0.439 511 L N 4.435 125.456 121.223 -0.337 0.000 2.333 511 L HA 0.547 4.863 4.340 -0.040 0.000 0.280 511 L C -0.898 175.911 176.870 -0.100 0.000 1.004 511 L CA -0.279 54.442 54.840 -0.198 0.000 0.820 511 L CB 1.315 43.239 42.059 -0.225 0.000 1.247 511 L HN 0.532 nan 8.230 nan 0.000 0.416 512 L N 3.212 124.407 121.223 -0.046 0.000 2.371 512 L HA 0.657 4.972 4.340 -0.040 0.000 0.262 512 L C -2.352 174.524 176.870 0.010 0.000 1.006 512 L CA -2.033 52.800 54.840 -0.012 0.000 0.818 512 L CB 2.426 44.473 42.059 -0.020 0.000 1.354 512 L HN 0.280 nan 8.230 nan 0.000 0.415 513 P HA -0.094 nan 4.420 nan 0.000 0.270 513 P C -0.418 176.923 177.300 0.069 0.000 1.221 513 P CA -0.174 62.969 63.100 0.072 0.000 0.788 513 P CB 0.281 32.030 31.700 0.082 0.000 0.904 514 F N 1.928 121.877 119.950 -0.001 0.000 2.332 514 F HA 0.074 4.577 4.527 -0.040 0.000 0.390 514 F C 1.278 177.071 175.800 -0.012 0.000 1.004 514 F CA 1.484 59.477 58.000 -0.010 0.000 0.990 514 F CB -1.253 37.739 39.000 -0.015 0.000 0.867 514 F HN 0.564 nan 8.300 nan 0.000 0.519 515 G N 3.665 112.032 108.800 -0.721 0.000 2.326 515 G HA2 -0.231 3.705 3.960 -0.040 0.000 0.286 515 G HA3 -0.231 3.705 3.960 -0.040 0.000 0.286 515 G C -0.014 174.784 174.900 -0.170 0.000 1.096 515 G CA 0.077 44.834 45.100 -0.571 0.000 1.003 515 G HN 0.876 nan 8.290 nan 0.000 0.503 516 T N 0.612 115.111 114.554 -0.091 0.000 2.882 516 T HA 0.485 4.811 4.350 -0.040 0.000 0.287 516 T C -0.411 174.297 174.700 0.013 0.000 0.992 516 T CA -0.767 61.323 62.100 -0.016 0.000 1.076 516 T CB 1.828 70.695 68.868 -0.001 0.000 0.961 516 T HN 0.028 nan 8.240 nan 0.000 0.490 517 P HA -0.147 nan 4.420 nan 0.000 0.214 517 P C 1.559 178.914 177.300 0.092 0.000 1.163 517 P CA 1.142 64.277 63.100 0.057 0.000 0.889 517 P CB -0.028 31.697 31.700 0.041 0.000 0.790 518 A N -0.741 122.120 122.820 0.069 0.000 1.958 518 A HA -0.255 4.041 4.320 -0.040 0.000 0.221 518 A C 2.220 179.884 177.584 0.132 0.000 1.178 518 A CA 1.810 53.893 52.037 0.077 0.000 0.642 518 A CB -1.711 17.309 19.000 0.034 0.000 0.816 518 A HN 0.149 nan 8.150 nan 0.000 0.453 519 I N -0.540 120.109 120.570 0.132 0.000 2.142 519 I HA -0.305 3.841 4.170 -0.040 0.000 0.240 519 I C 2.984 179.331 176.117 0.385 0.000 1.078 519 I CA 1.257 62.676 61.300 0.199 0.000 1.343 519 I CB -0.498 37.553 38.000 0.084 0.000 1.046 519 I HN 0.370 nan 8.210 nan 0.000 0.405 520 A N 0.545 123.586 122.820 0.368 0.000 2.019 520 A HA -0.095 4.201 4.320 -0.040 0.000 0.219 520 A C 2.316 180.196 177.584 0.493 0.000 1.164 520 A CA 1.798 54.122 52.037 0.478 0.000 0.644 520 A CB -0.624 18.614 19.000 0.397 0.000 0.805 520 A HN 0.479 nan 8.150 nan 0.000 0.449 521 A N -0.260 122.767 122.820 0.344 0.000 2.251 521 A HA 0.242 4.537 4.320 -0.040 0.000 0.209 521 A C 1.947 179.713 177.584 0.304 0.000 1.187 521 A CA 1.205 53.419 52.037 0.295 0.000 0.823 521 A CB -0.424 18.681 19.000 0.176 0.000 0.846 521 A HN 0.887 nan 8.150 nan 0.000 0.486 522 S N -1.402 114.511 115.700 0.356 0.000 2.540 522 S HA 0.255 4.701 4.470 -0.040 0.000 0.218 522 S C 0.120 174.979 174.600 0.433 0.000 0.977 522 S CA -0.558 57.861 58.200 0.364 0.000 0.918 522 S CB -0.604 62.761 63.200 0.275 0.000 0.806 522 S HN 0.336 nan 8.310 nan 0.000 0.496 523 F N 3.783 123.823 119.950 0.151 0.000 2.506 523 F HA 0.390 4.892 4.527 -0.041 0.000 0.371 523 F C 0.029 175.523 175.800 -0.510 0.000 1.078 523 F CA -0.943 56.817 58.000 -0.400 0.000 1.195 523 F CB 0.487 38.966 39.000 -0.869 0.000 1.099 523 F HN 0.058 nan 8.300 nan 0.000 0.548 524 D N 6.379 125.972 120.400 -1.346 0.000 2.396 524 D HA 0.057 4.673 4.640 -0.040 0.000 0.225 524 D C 0.811 176.138 176.300 -1.622 0.000 1.121 524 D CA -0.193 52.895 54.000 -1.520 0.000 0.853 524 D CB 1.196 41.263 40.800 -1.221 0.000 1.043 524 D HN 0.835 nan 8.370 nan 0.000 0.500 525 Q N 2.582 121.602 119.800 -1.301 0.000 2.167 525 Q HA -0.127 4.189 4.340 -0.040 0.000 0.202 525 Q C 0.894 176.677 176.000 -0.363 0.000 0.970 525 Q CA 1.018 56.356 55.803 -0.774 0.000 0.855 525 Q CB 0.054 28.716 28.738 -0.126 0.000 0.911 525 Q HN 0.488 nan 8.270 nan 0.000 0.438 526 E N 1.367 121.328 120.200 -0.398 0.000 2.047 526 E HA -0.128 4.198 4.350 -0.040 0.000 0.191 526 E C 2.141 178.467 176.600 -0.457 0.000 0.987 526 E CA 1.027 57.164 56.400 -0.438 0.000 0.799 526 E CB -0.141 29.363 29.700 -0.328 0.000 0.752 526 E HN 0.524 nan 8.360 nan 0.000 0.449 527 A N 1.468 124.007 122.820 -0.469 0.000 1.930 527 A HA -0.041 4.255 4.320 -0.040 0.000 0.217 527 A C 2.361 179.747 177.584 -0.330 0.000 1.175 527 A CA 1.487 53.291 52.037 -0.389 0.000 0.627 527 A CB -0.477 18.285 19.000 -0.396 0.000 0.815 527 A HN 0.275 nan 8.150 nan 0.000 0.443 528 A N -0.292 122.271 122.820 -0.429 0.000 1.969 528 A HA 0.247 4.543 4.320 -0.040 0.000 0.218 528 A C 2.392 180.010 177.584 0.058 0.000 1.169 528 A CA 1.739 53.623 52.037 -0.255 0.000 0.635 528 A CB -0.719 17.956 19.000 -0.542 0.000 0.810 528 A HN 0.934 nan 8.150 nan 0.000 0.445 529 A N -0.624 122.181 122.820 -0.025 0.000 1.929 529 A HA 0.111 4.406 4.320 -0.040 0.000 0.216 529 A C 2.171 179.713 177.584 -0.069 0.000 1.176 529 A CA 1.520 53.525 52.037 -0.053 0.000 0.628 529 A CB -0.658 18.079 19.000 -0.438 0.000 0.816 529 A HN 0.317 nan 8.150 nan 0.000 0.444 530 V N 0.381 120.207 119.914 -0.145 0.000 2.323 530 V HA -0.203 3.893 4.120 -0.040 0.000 0.244 530 V C 2.522 178.629 176.094 0.023 0.000 1.041 530 V CA 1.727 63.974 62.300 -0.089 0.000 1.025 530 V CB -0.722 30.956 31.823 -0.241 0.000 0.656 530 V HN 0.543 nan 8.190 nan 0.000 0.451 531 L N -1.115 120.122 121.223 0.024 0.000 2.093 531 L HA -0.138 4.178 4.340 -0.040 0.000 0.208 531 L C 2.577 179.645 176.870 0.331 0.000 1.085 531 L CA 1.221 56.166 54.840 0.177 0.000 0.755 531 L CB -0.568 41.582 42.059 0.153 0.000 0.904 531 L HN 0.323 nan 8.230 nan 0.000 0.435 532 M N -0.347 119.435 119.600 0.302 0.000 2.254 532 M HA -0.080 4.375 4.480 -0.040 0.000 0.265 532 M C 2.463 178.995 176.300 0.387 0.000 1.066 532 M CA 1.501 57.042 55.300 0.401 0.000 1.123 532 M CB -0.994 31.825 32.600 0.365 0.000 1.388 532 M HN 0.247 nan 8.290 nan 0.000 0.425 533 A N -0.428 122.545 122.820 0.255 0.000 1.929 533 A HA -0.123 4.173 4.320 -0.040 0.000 0.216 533 A C 2.300 180.024 177.584 0.233 0.000 1.176 533 A CA 1.298 53.439 52.037 0.174 0.000 0.628 533 A CB -0.504 18.538 19.000 0.070 0.000 0.816 533 A HN 0.363 nan 8.150 nan 0.000 0.444 534 R N -0.167 120.534 120.500 0.334 0.000 2.096 534 R HA 0.013 4.329 4.340 -0.040 0.000 0.235 534 R C 1.752 178.182 176.300 0.217 0.000 1.127 534 R CA 1.478 57.766 56.100 0.315 0.000 0.968 534 R CB -0.383 30.035 30.300 0.196 0.000 0.861 534 R HN 0.604 nan 8.270 nan 0.000 0.440 535 I N -0.361 120.323 120.570 0.191 0.000 2.353 535 I HA -0.148 3.998 4.170 -0.040 0.000 0.248 535 I C 2.289 178.388 176.117 -0.029 0.000 1.119 535 I CA 0.932 62.241 61.300 0.015 0.000 1.417 535 I CB -0.349 37.625 38.000 -0.044 0.000 1.078 535 I HN 0.234 nan 8.210 nan 0.000 0.421 536 A N 0.695 123.602 122.820 0.144 0.000 1.902 536 A HA -0.145 4.151 4.320 -0.040 0.000 0.217 536 A C 2.442 180.065 177.584 0.065 0.000 1.181 536 A CA 1.628 53.752 52.037 0.145 0.000 0.623 536 A CB -0.910 18.273 19.000 0.305 0.000 0.818 536 A HN 0.224 nan 8.150 nan 0.000 0.443 537 V N -0.567 119.394 119.914 0.078 0.000 2.343 537 V HA -0.281 3.814 4.120 -0.040 0.000 0.247 537 V C 2.461 178.605 176.094 0.083 0.000 1.051 537 V CA 2.514 64.861 62.300 0.077 0.000 1.036 537 V CB -0.981 30.897 31.823 0.091 0.000 0.654 537 V HN 0.844 nan 8.190 nan 0.000 0.451 538 H N 0.651 119.727 119.070 0.010 0.000 2.352 538 H HA -0.171 4.362 4.556 -0.040 0.000 0.299 538 H C 2.273 177.572 175.328 -0.049 0.000 1.097 538 H CA 2.110 58.151 56.048 -0.012 0.000 1.311 538 H CB 0.006 29.739 29.762 -0.049 0.000 1.377 538 H HN 0.352 nan 8.280 nan 0.000 0.504 539 K N -0.317 120.037 120.400 -0.077 0.000 2.097 539 K HA 0.002 4.298 4.320 -0.040 0.000 0.205 539 K C 2.316 178.857 176.600 -0.100 0.000 1.050 539 K CA 0.756 56.956 56.287 -0.144 0.000 0.938 539 K CB -0.065 32.302 32.500 -0.221 0.000 0.718 539 K HN 0.344 nan 8.250 nan 0.000 0.442 540 A N 1.341 124.136 122.820 -0.043 0.000 2.139 540 A HA -0.230 4.065 4.320 -0.040 0.000 0.221 540 A C 1.759 179.340 177.584 -0.005 0.000 1.159 540 A CA 1.629 53.666 52.037 0.000 0.000 0.662 540 A CB -0.327 18.699 19.000 0.044 0.000 0.796 540 A HN 0.226 nan 8.150 nan 0.000 0.463 541 E N -0.685 119.480 120.200 -0.059 0.000 2.011 541 E HA -0.012 4.314 4.350 -0.040 0.000 0.191 541 E C 2.176 178.750 176.600 -0.043 0.000 0.980 541 E CA 1.552 57.922 56.400 -0.051 0.000 0.814 541 E CB -0.491 29.126 29.700 -0.139 0.000 0.775 541 E HN 0.508 nan 8.360 nan 0.000 0.454 542 T N 1.517 116.013 114.554 -0.096 0.000 2.453 542 T HA -0.119 4.207 4.350 -0.040 0.000 0.243 542 T C 0.669 175.353 174.700 -0.027 0.000 1.254 542 T CA 1.124 63.190 62.100 -0.057 0.000 1.327 542 T CB -0.600 68.221 68.868 -0.078 0.000 0.885 542 T HN 0.124 nan 8.240 nan 0.000 0.391 543 D N 1.949 122.327 120.400 -0.037 0.000 2.325 543 D HA 0.062 4.678 4.640 -0.040 0.000 0.237 543 D C 0.190 176.488 176.300 -0.002 0.000 1.328 543 D CA 0.232 54.222 54.000 -0.016 0.000 0.918 543 D CB 0.162 40.949 40.800 -0.022 0.000 1.156 543 D HN 0.515 nan 8.370 nan 0.000 0.485 544 D N -2.161 118.244 120.400 0.008 0.000 2.384 544 D HA 0.241 4.857 4.640 -0.040 0.000 0.250 544 D C 1.173 177.486 176.300 0.022 0.000 1.029 544 D CA -0.658 53.350 54.000 0.013 0.000 0.990 544 D CB 0.835 41.642 40.800 0.012 0.000 1.175 544 D HN 0.361 nan 8.370 nan 0.000 0.532 545 G N 0.395 109.206 108.800 0.017 0.000 2.586 545 G HA2 -0.324 3.612 3.960 -0.040 0.000 0.218 545 G HA3 -0.324 3.612 3.960 -0.040 0.000 0.218 545 G C 1.549 176.473 174.900 0.040 0.000 1.216 545 G CA 2.357 47.472 45.100 0.025 0.000 0.786 545 G HN 0.726 nan 8.290 nan 0.000 0.583 546 A N 1.024 123.861 122.820 0.029 0.000 1.929 546 A HA -0.276 4.020 4.320 -0.040 0.000 0.221 546 A C 2.087 179.706 177.584 0.058 0.000 1.211 546 A CA 2.755 54.813 52.037 0.034 0.000 0.657 546 A CB -0.806 18.209 19.000 0.024 0.000 0.827 546 A HN 0.429 nan 8.150 nan 0.000 0.462 547 D N -1.149 119.289 120.400 0.062 0.000 2.103 547 D HA -0.018 4.598 4.640 -0.040 0.000 0.199 547 D C 1.951 178.336 176.300 0.140 0.000 0.978 547 D CA 1.241 55.293 54.000 0.088 0.000 0.829 547 D CB -0.162 40.676 40.800 0.063 0.000 0.981 547 D HN 0.196 nan 8.370 nan 0.000 0.464 548 V N 0.975 120.962 119.914 0.122 0.000 2.392 548 V HA -0.203 3.893 4.120 -0.040 0.000 0.249 548 V C 2.162 178.407 176.094 0.252 0.000 1.059 548 V CA 1.223 63.632 62.300 0.181 0.000 1.051 548 V CB -0.431 31.457 31.823 0.109 0.000 0.658 548 V HN 0.292 nan 8.190 nan 0.000 0.455 549 I N -0.513 120.153 120.570 0.160 0.000 2.928 549 I HA -0.116 4.030 4.170 -0.040 0.000 0.266 549 I C 2.601 178.804 176.117 0.143 0.000 1.234 549 I CA 0.939 62.322 61.300 0.138 0.000 1.483 549 I CB -0.313 37.732 38.000 0.074 0.000 1.097 549 I HN 0.232 nan 8.210 nan 0.000 0.455 550 R N 0.526 121.120 120.500 0.157 0.000 2.080 550 R HA -0.187 4.129 4.340 -0.040 0.000 0.222 550 R C 2.269 178.676 176.300 0.177 0.000 1.107 550 R CA 1.101 57.283 56.100 0.136 0.000 0.980 550 R CB -0.365 30.008 30.300 0.121 0.000 0.879 550 R HN 0.368 nan 8.270 nan 0.000 0.439 551 W N 0.858 122.198 121.300 0.067 0.000 2.325 551 W HA -0.218 4.417 4.660 -0.041 0.000 0.299 551 W C 1.298 177.881 176.519 0.107 0.000 1.215 551 W CA 1.107 58.499 57.345 0.079 0.000 1.244 551 W CB -0.229 29.273 29.460 0.070 0.000 1.140 551 W HN 0.136 nan 8.180 nan 0.000 0.523 552 L N 0.863 122.110 121.223 0.041 0.000 2.044 552 L HA -0.166 4.150 4.340 -0.040 0.000 0.205 552 L C 2.190 179.026 176.870 -0.057 0.000 1.075 552 L CA 2.135 56.901 54.840 -0.123 0.000 0.747 552 L CB -1.382 40.731 42.059 0.090 0.000 0.903 552 L HN -0.078 nan 8.230 nan 0.000 0.435 553 D N -0.832 119.592 120.400 0.041 0.000 2.084 553 D HA -0.158 4.458 4.640 -0.040 0.000 0.194 553 D C 2.251 178.554 176.300 0.006 0.000 0.990 553 D CA 0.843 54.879 54.000 0.060 0.000 0.826 553 D CB -0.099 40.740 40.800 0.066 0.000 0.971 553 D HN 0.137 nan 8.370 nan 0.000 0.453 554 R N 0.522 121.015 120.500 -0.011 0.000 2.113 554 R HA -0.132 4.184 4.340 -0.040 0.000 0.244 554 R C 2.494 178.761 176.300 -0.056 0.000 1.142 554 R CA 1.842 57.931 56.100 -0.017 0.000 0.953 554 R CB -1.812 28.496 30.300 0.013 0.000 0.860 554 R HN 0.425 nan 8.270 nan 0.000 0.438 555 T N -0.227 114.217 114.554 -0.184 0.000 2.821 555 T HA -0.105 4.221 4.350 -0.040 0.000 0.267 555 T C 2.006 176.704 174.700 -0.003 0.000 1.046 555 T CA 1.071 63.069 62.100 -0.170 0.000 1.139 555 T CB -0.404 68.190 68.868 -0.456 0.000 0.871 555 T HN 0.123 nan 8.240 nan 0.000 0.454 556 L N 1.084 122.342 121.223 0.057 0.000 2.012 556 L HA 0.085 4.401 4.340 -0.040 0.000 0.210 556 L C 2.392 179.347 176.870 0.143 0.000 1.073 556 L CA 1.451 56.418 54.840 0.212 0.000 0.748 556 L CB -0.785 41.411 42.059 0.228 0.000 0.891 556 L HN 0.327 nan 8.230 nan 0.000 0.431 557 I N -0.420 120.186 120.570 0.060 0.000 2.076 557 I HA -0.378 3.767 4.170 -0.040 0.000 0.237 557 I C 2.539 178.690 176.117 0.057 0.000 1.059 557 I CA 1.844 63.159 61.300 0.024 0.000 1.317 557 I CB -0.431 37.560 38.000 -0.015 0.000 1.037 557 I HN 0.263 nan 8.210 nan 0.000 0.398 558 K N 0.192 120.625 120.400 0.056 0.000 2.074 558 K HA -0.248 4.048 4.320 -0.040 0.000 0.209 558 K C 2.061 178.736 176.600 0.125 0.000 1.048 558 K CA 1.482 57.816 56.287 0.078 0.000 0.926 558 K CB -0.386 32.156 32.500 0.070 0.000 0.713 558 K HN 0.169 nan 8.250 nan 0.000 0.444 559 L N 0.760 122.069 121.223 0.143 0.000 2.083 559 L HA -0.174 4.142 4.340 -0.040 0.000 0.209 559 L C 1.987 179.003 176.870 0.244 0.000 1.083 559 L CA 1.705 56.666 54.840 0.202 0.000 0.752 559 L CB -0.372 41.762 42.059 0.125 0.000 0.899 559 L HN 0.173 nan 8.230 nan 0.000 0.433 560 C N -0.796 118.638 119.300 0.222 0.000 2.467 560 C HA -0.054 4.382 4.460 -0.040 0.000 0.279 560 C C 2.615 177.773 174.990 0.280 0.000 1.347 560 C CA 0.372 59.556 59.018 0.277 0.000 1.748 560 C CB -0.744 27.193 27.740 0.330 0.000 1.977 560 C HN 0.594 nan 8.230 nan 0.000 0.501 561 Q N 0.561 120.478 119.800 0.195 0.000 2.291 561 Q HA -0.192 4.124 4.340 -0.040 0.000 0.206 561 Q C 2.219 178.388 176.000 0.282 0.000 0.976 561 Q CA 1.197 57.135 55.803 0.224 0.000 0.875 561 Q CB -0.048 28.755 28.738 0.109 0.000 0.927 561 Q HN 0.681 nan 8.270 nan 0.000 0.450 562 K N -0.713 119.760 120.400 0.121 0.000 2.287 562 K HA -0.009 4.287 4.320 -0.040 0.000 0.199 562 K C 0.776 177.154 176.600 -0.369 0.000 1.061 562 K CA 0.351 56.569 56.287 -0.113 0.000 0.976 562 K CB 0.395 32.792 32.500 -0.171 0.000 0.898 562 K HN 0.101 nan 8.250 nan 0.000 0.492 563 Y N 0.420 120.659 120.300 -0.101 0.000 2.458 563 Y HA 0.368 4.894 4.550 -0.040 0.000 0.256 563 Y C 0.392 176.081 175.900 -0.352 0.000 1.159 563 Y CA -0.385 57.516 58.100 -0.332 0.000 1.261 563 Y CB 1.040 39.089 38.460 -0.684 0.000 1.119 563 Y HN 0.032 nan 8.280 nan 0.000 0.524 564 A N -0.213 122.574 122.820 -0.055 0.000 2.312 564 A HA 0.399 4.695 4.320 -0.040 0.000 0.328 564 A C -0.729 176.774 177.584 -0.134 0.000 1.158 564 A CA -0.674 51.273 52.037 -0.149 0.000 0.821 564 A CB 0.421 19.326 19.000 -0.158 0.000 1.170 564 A HN 0.054 nan 8.150 nan 0.000 0.490 565 D N 0.965 121.230 120.400 -0.225 0.000 2.277 565 D HA 0.527 5.143 4.640 -0.040 0.000 0.249 565 D C -0.597 175.658 176.300 -0.076 0.000 1.134 565 D CA 0.869 54.738 54.000 -0.218 0.000 0.863 565 D CB 0.917 41.613 40.800 -0.172 0.000 1.143 565 D HN 0.514 nan 8.370 nan 0.000 0.458 566 Y N -0.107 120.160 120.300 -0.054 0.000 2.967 566 Y HA 0.517 5.042 4.550 -0.040 0.000 0.311 566 Y C -1.301 174.606 175.900 0.011 0.000 1.555 566 Y CA -1.272 56.838 58.100 0.017 0.000 1.084 566 Y CB 1.140 39.674 38.460 0.122 0.000 1.508 566 Y HN 0.018 nan 8.280 nan 0.000 0.457 567 N N 0.424 119.344 118.700 0.367 0.000 2.310 567 N HA 0.253 4.969 4.740 -0.040 0.000 0.292 567 N C -1.893 173.773 175.510 0.259 0.000 1.049 567 N CA -0.942 52.230 53.050 0.205 0.000 0.849 567 N CB 2.564 41.114 38.487 0.105 0.000 1.532 567 N HN 0.594 nan 8.380 nan 0.000 0.479 568 K N 1.627 122.145 120.400 0.196 0.000 2.438 568 K HA -0.129 4.167 4.320 -0.040 0.000 0.270 568 K C -0.367 176.280 176.600 0.078 0.000 1.095 568 K CA 0.816 57.189 56.287 0.145 0.000 1.174 568 K CB -0.002 32.550 32.500 0.085 0.000 0.830 568 K HN 0.540 nan 8.250 nan 0.000 0.487 569 D N 1.561 121.985 120.400 0.040 0.000 3.012 569 D HA -0.184 4.431 4.640 -0.040 0.000 0.222 569 D C -0.395 175.907 176.300 0.003 0.000 1.167 569 D CA 1.198 55.196 54.000 -0.003 0.000 0.854 569 D CB -0.609 40.189 40.800 -0.003 0.000 1.107 569 D HN 0.643 nan 8.370 nan 0.000 0.421 570 D N -0.548 119.872 120.400 0.035 0.000 2.483 570 D HA 0.269 4.884 4.640 -0.040 0.000 0.281 570 D C -1.643 174.686 176.300 0.047 0.000 1.174 570 D CA -2.152 51.872 54.000 0.041 0.000 0.938 570 D CB 1.143 41.982 40.800 0.065 0.000 1.002 570 D HN -0.105 nan 8.370 nan 0.000 0.501 571 P HA -0.218 nan 4.420 nan 0.000 0.217 571 P C 1.010 178.332 177.300 0.037 0.000 1.158 571 P CA 1.472 64.551 63.100 -0.036 0.000 0.887 571 P CB 0.198 31.847 31.700 -0.085 0.000 0.792 572 Q N -0.886 118.939 119.800 0.042 0.000 2.488 572 Q HA -0.025 4.290 4.340 -0.040 0.000 0.211 572 Q C 1.724 177.786 176.000 0.102 0.000 0.967 572 Q CA 1.239 57.081 55.803 0.065 0.000 0.926 572 Q CB -0.408 28.352 28.738 0.036 0.000 0.992 572 Q HN 0.379 nan 8.270 nan 0.000 0.506 573 S N -0.494 115.280 115.700 0.124 0.000 2.575 573 S HA 0.023 4.468 4.470 -0.040 0.000 0.215 573 S C 0.304 175.009 174.600 0.174 0.000 0.966 573 S CA -0.609 57.665 58.200 0.123 0.000 0.911 573 S CB -0.249 63.015 63.200 0.107 0.000 0.780 573 S HN 0.295 nan 8.310 nan 0.000 0.514 574 F N 3.648 123.637 119.950 0.065 0.000 2.578 574 F HA 0.379 4.882 4.527 -0.040 0.000 0.381 574 F C 0.499 176.338 175.800 0.064 0.000 1.069 574 F CA -0.102 57.948 58.000 0.084 0.000 1.231 574 F CB 0.257 39.270 39.000 0.023 0.000 1.086 574 F HN 0.051 nan 8.300 nan 0.000 0.564 575 R N 6.747 126.936 120.500 -0.520 0.000 2.605 575 R HA 0.330 4.646 4.340 -0.040 0.000 0.291 575 R C -1.906 174.114 176.300 -0.467 0.000 1.226 575 R CA -1.041 54.825 56.100 -0.390 0.000 0.981 575 R CB 1.401 31.615 30.300 -0.143 0.000 1.215 575 R HN 0.490 nan 8.270 nan 0.000 0.428 576 L N 2.483 123.439 121.223 -0.445 0.000 2.334 576 L HA 0.589 4.905 4.340 -0.040 0.000 0.277 576 L C 0.232 177.065 176.870 -0.062 0.000 1.075 576 L CA -0.138 54.549 54.840 -0.254 0.000 0.804 576 L CB 1.487 43.473 42.059 -0.121 0.000 1.174 576 L HN 0.787 nan 8.230 nan 0.000 0.438 577 A N 6.044 128.849 122.820 -0.025 0.000 2.386 577 A HA 0.388 4.684 4.320 -0.040 0.000 0.246 577 A C -1.647 176.041 177.584 0.174 0.000 1.089 577 A CA -0.643 51.436 52.037 0.070 0.000 0.790 577 A CB -0.604 18.448 19.000 0.086 0.000 1.042 577 A HN 0.788 nan 8.150 nan 0.000 0.497 578 P HA -0.173 nan 4.420 nan 0.000 0.216 578 P C 0.887 178.320 177.300 0.221 0.000 1.150 578 P CA 1.669 64.866 63.100 0.162 0.000 0.843 578 P CB -0.069 31.705 31.700 0.125 0.000 0.787 579 N N -1.790 117.086 118.700 0.294 0.000 2.449 579 N HA -0.032 4.684 4.740 -0.040 0.000 0.191 579 N C 0.615 176.325 175.510 0.333 0.000 1.161 579 N CA 0.694 53.926 53.050 0.303 0.000 0.863 579 N CB -0.532 38.161 38.487 0.343 0.000 0.980 579 N HN 0.210 nan 8.380 nan 0.000 0.458 580 F N 0.259 120.337 119.950 0.214 0.000 2.856 580 F HA 0.160 4.662 4.527 -0.041 0.000 0.338 580 F C 2.241 178.182 175.800 0.235 0.000 1.005 580 F CA -0.027 58.115 58.000 0.237 0.000 1.155 580 F CB 0.044 39.085 39.000 0.068 0.000 1.010 580 F HN -0.003 nan 8.300 nan 0.000 0.587 581 S N 0.480 116.388 115.700 0.346 0.000 2.419 581 S HA -0.185 4.261 4.470 -0.040 0.000 0.235 581 S C 1.786 176.501 174.600 0.192 0.000 1.019 581 S CA 1.267 59.611 58.200 0.241 0.000 0.982 581 S CB -0.730 62.565 63.200 0.158 0.000 0.789 581 S HN 0.431 nan 8.310 nan 0.000 0.490 582 L N -1.004 120.318 121.223 0.166 0.000 2.307 582 L HA 0.148 4.463 4.340 -0.040 0.000 0.211 582 L C 2.433 179.340 176.870 0.062 0.000 1.099 582 L CA 0.749 55.581 54.840 -0.013 0.000 0.816 582 L CB -0.606 41.386 42.059 -0.111 0.000 0.952 582 L HN 0.216 nan 8.230 nan 0.000 0.455 583 Y N 2.050 122.495 120.300 0.242 0.000 2.114 583 Y HA -0.231 4.295 4.550 -0.040 0.000 0.282 583 Y C -0.416 175.664 175.900 0.299 0.000 1.165 583 Y CA 2.113 60.421 58.100 0.347 0.000 1.148 583 Y CB -1.385 37.272 38.460 0.328 0.000 0.972 583 Y HN 0.114 nan 8.280 nan 0.000 0.504 584 P HA -0.232 nan 4.420 nan 0.000 0.215 584 P C 1.398 178.815 177.300 0.195 0.000 1.153 584 P CA 2.393 65.668 63.100 0.291 0.000 0.853 584 P CB -0.162 31.734 31.700 0.327 0.000 0.788 585 Q N -1.197 118.646 119.800 0.071 0.000 2.050 585 Q HA -0.163 4.153 4.340 -0.040 0.000 0.202 585 Q C 1.986 178.020 176.000 0.058 0.000 0.980 585 Q CA 1.537 57.336 55.803 -0.007 0.000 0.840 585 Q CB -0.626 28.049 28.738 -0.106 0.000 0.898 585 Q HN 0.177 nan 8.270 nan 0.000 0.424 586 F N 0.093 120.081 119.950 0.064 0.000 2.126 586 F HA -0.240 4.263 4.527 -0.041 0.000 0.299 586 F C 2.481 178.234 175.800 -0.079 0.000 1.096 586 F CA 1.337 59.344 58.000 0.011 0.000 1.255 586 F CB -0.241 38.691 39.000 -0.113 0.000 0.997 586 F HN 0.147 nan 8.300 nan 0.000 0.479 587 T N -1.057 113.487 114.554 -0.018 0.000 2.833 587 T HA -0.259 4.067 4.350 -0.040 0.000 0.269 587 T C 1.523 176.153 174.700 -0.116 0.000 1.054 587 T CA 1.352 63.408 62.100 -0.074 0.000 1.135 587 T CB -0.567 68.270 68.868 -0.052 0.000 0.869 587 T HN 0.360 nan 8.240 nan 0.000 0.466 588 Y N 0.740 120.798 120.300 -0.402 0.000 2.145 588 Y HA -0.173 4.352 4.550 -0.041 0.000 0.286 588 Y C 1.947 177.494 175.900 -0.588 0.000 1.145 588 Y CA 0.994 58.550 58.100 -0.907 0.000 1.148 588 Y CB -0.544 37.269 38.460 -1.079 0.000 0.981 588 Y HN 0.272 nan 8.280 nan 0.000 0.507 589 Y N -0.907 119.229 120.300 -0.274 0.000 2.263 589 Y HA -0.188 4.337 4.550 -0.041 0.000 0.292 589 Y C 2.329 178.111 175.900 -0.197 0.000 1.130 589 Y CA 1.095 59.036 58.100 -0.265 0.000 1.179 589 Y CB -0.553 37.885 38.460 -0.036 0.000 0.998 589 Y HN 0.267 nan 8.280 nan 0.000 0.532 590 L N 1.680 122.923 121.223 0.033 0.000 2.012 590 L HA -0.238 4.078 4.340 -0.040 0.000 0.210 590 L C 2.518 179.365 176.870 -0.039 0.000 1.073 590 L CA 1.869 56.720 54.840 0.019 0.000 0.748 590 L CB -0.713 41.350 42.059 0.007 0.000 0.891 590 L HN 0.235 nan 8.230 nan 0.000 0.431 591 R N 0.329 120.759 120.500 -0.117 0.000 2.200 591 R HA -0.184 4.132 4.340 -0.040 0.000 0.234 591 R C 1.682 177.891 176.300 -0.153 0.000 1.127 591 R CA 1.698 57.730 56.100 -0.112 0.000 0.989 591 R CB -0.753 29.471 30.300 -0.127 0.000 0.869 591 R HN 0.581 nan 8.270 nan 0.000 0.459 592 R N 1.042 121.401 120.500 -0.235 0.000 2.397 592 R HA 0.184 4.500 4.340 -0.040 0.000 0.241 592 R C 0.426 176.650 176.300 -0.127 0.000 0.914 592 R CA 0.201 56.175 56.100 -0.212 0.000 1.071 592 R CB 0.342 30.437 30.300 -0.342 0.000 1.116 592 R HN 0.174 nan 8.270 nan 0.000 0.524 593 S N 0.441 116.092 115.700 -0.081 0.000 2.596 593 S HA -0.011 4.435 4.470 -0.040 0.000 0.260 593 S C 0.774 175.261 174.600 -0.188 0.000 1.336 593 S CA -0.541 57.599 58.200 -0.100 0.000 0.993 593 S CB 0.964 64.187 63.200 0.038 0.000 0.923 593 S HN 0.368 nan 8.310 nan 0.000 0.567 594 Q N -0.241 119.316 119.800 -0.405 0.000 2.515 594 Q HA 0.085 4.401 4.340 -0.040 0.000 0.212 594 Q C 0.691 176.478 176.000 -0.354 0.000 0.970 594 Q CA 0.739 56.312 55.803 -0.385 0.000 0.941 594 Q CB -0.422 27.989 28.738 -0.545 0.000 0.998 594 Q HN 0.837 nan 8.270 nan 0.000 0.518 595 F N -1.047 118.861 119.950 -0.070 0.000 2.387 595 F HA -0.007 4.496 4.527 -0.040 0.000 0.294 595 F C 1.655 177.425 175.800 -0.051 0.000 1.093 595 F CA 0.608 58.568 58.000 -0.067 0.000 1.420 595 F CB 0.341 39.218 39.000 -0.205 0.000 1.086 595 F HN 0.013 nan 8.300 nan 0.000 0.531 596 L N -2.394 118.882 121.223 0.088 0.000 2.653 596 L HA 0.197 4.512 4.340 -0.040 0.000 0.230 596 L C 0.818 177.681 176.870 -0.012 0.000 1.055 596 L CA 0.163 55.028 54.840 0.042 0.000 0.880 596 L CB 0.075 42.165 42.059 0.051 0.000 1.195 596 L HN -0.192 nan 8.230 nan 0.000 0.492 597 S N 0.920 116.600 115.700 -0.034 0.000 2.464 597 S HA 0.238 4.683 4.470 -0.040 0.000 0.313 597 S C 0.859 175.433 174.600 -0.043 0.000 1.078 597 S CA -0.550 57.629 58.200 -0.036 0.000 1.096 597 S CB 0.878 64.055 63.200 -0.039 0.000 1.032 597 S HN 0.159 nan 8.310 nan 0.000 0.498 598 V N 4.109 123.966 119.914 -0.096 0.000 3.649 598 V HA 0.196 4.292 4.120 -0.040 0.000 0.275 598 V C 1.596 177.632 176.094 -0.096 0.000 1.281 598 V CA 0.391 62.577 62.300 -0.189 0.000 1.143 598 V CB -1.459 29.981 31.823 -0.639 0.000 0.892 598 V HN 0.763 nan 8.190 nan 0.000 0.441 599 F N 3.743 123.625 119.950 -0.113 0.000 2.063 599 F HA -0.331 4.172 4.527 -0.041 0.000 0.296 599 F C 1.669 177.459 175.800 -0.017 0.000 1.093 599 F CA 2.600 60.565 58.000 -0.058 0.000 1.229 599 F CB -0.454 38.513 39.000 -0.056 0.000 0.971 599 F HN 0.502 nan 8.300 nan 0.000 0.491 600 N N 0.654 119.131 118.700 -0.370 0.000 2.380 600 N HA 0.113 4.829 4.740 -0.040 0.000 0.255 600 N C -1.291 174.112 175.510 -0.179 0.000 1.158 600 N CA -0.245 52.523 53.050 -0.470 0.000 0.878 600 N CB -0.378 37.951 38.487 -0.262 0.000 1.138 600 N HN 0.291 nan 8.380 nan 0.000 0.509 601 N N -0.899 117.753 118.700 -0.079 0.000 2.453 601 N HA 0.295 5.011 4.740 -0.040 0.000 0.290 601 N C -0.952 174.631 175.510 0.121 0.000 1.250 601 N CA -0.508 52.571 53.050 0.050 0.000 0.815 601 N CB 1.708 40.264 38.487 0.115 0.000 1.381 601 N HN 0.202 nan 8.380 nan 0.000 0.510 602 S N -0.591 115.147 115.700 0.062 0.000 2.608 602 S HA 0.405 4.851 4.470 -0.040 0.000 0.291 602 S C -2.057 172.460 174.600 -0.138 0.000 1.146 602 S CA -1.176 56.998 58.200 -0.043 0.000 1.043 602 S CB 2.322 65.479 63.200 -0.071 0.000 1.037 602 S HN 0.220 nan 8.310 nan 0.000 0.520 603 P HA -0.105 nan 4.420 nan 0.000 0.216 603 P C 0.446 177.660 177.300 -0.144 0.000 1.150 603 P CA 1.312 64.059 63.100 -0.588 0.000 0.843 603 P CB -0.002 31.378 31.700 -0.533 0.000 0.787 604 D N -1.155 119.176 120.400 -0.115 0.000 2.117 604 D HA -0.139 4.477 4.640 -0.040 0.000 0.198 604 D C 1.949 178.203 176.300 -0.077 0.000 0.982 604 D CA 0.939 54.895 54.000 -0.073 0.000 0.828 604 D CB -0.573 40.170 40.800 -0.095 0.000 0.967 604 D HN 0.250 nan 8.370 nan 0.000 0.464 605 E N -0.191 119.944 120.200 -0.109 0.000 2.049 605 E HA -0.186 4.140 4.350 -0.040 0.000 0.198 605 E C 1.744 178.162 176.600 -0.303 0.000 1.007 605 E CA 1.701 57.960 56.400 -0.234 0.000 0.809 605 E CB 0.094 29.716 29.700 -0.129 0.000 0.749 605 E HN 0.188 nan 8.360 nan 0.000 0.450 606 T N 0.652 115.198 114.554 -0.014 0.000 2.665 606 T HA -0.218 4.108 4.350 -0.040 0.000 0.268 606 T C 1.886 176.652 174.700 0.109 0.000 1.035 606 T CA 1.465 63.634 62.100 0.115 0.000 1.151 606 T CB -0.390 68.642 68.868 0.273 0.000 0.862 606 T HN 0.328 nan 8.240 nan 0.000 0.438 607 A N 1.105 123.982 122.820 0.095 0.000 1.933 607 A HA -0.046 4.250 4.320 -0.040 0.000 0.218 607 A C 2.018 179.704 177.584 0.170 0.000 1.175 607 A CA 1.461 53.575 52.037 0.128 0.000 0.628 607 A CB -0.927 18.123 19.000 0.083 0.000 0.814 607 A HN 0.467 nan 8.150 nan 0.000 0.444 608 F N -0.255 119.641 119.950 -0.089 0.000 2.075 608 F HA -0.170 4.333 4.527 -0.040 0.000 0.297 608 F C 2.165 178.025 175.800 0.100 0.000 1.113 608 F CA 1.467 59.416 58.000 -0.085 0.000 1.218 608 F CB -0.900 37.926 39.000 -0.290 0.000 0.984 608 F HN 0.366 nan 8.300 nan 0.000 0.472 609 Y N 0.112 120.320 120.300 -0.152 0.000 2.145 609 Y HA -0.199 4.327 4.550 -0.041 0.000 0.286 609 Y C 2.720 178.844 175.900 0.374 0.000 1.145 609 Y CA 1.252 59.243 58.100 -0.182 0.000 1.148 609 Y CB -0.522 37.648 38.460 -0.484 0.000 0.981 609 Y HN -0.051 nan 8.280 nan 0.000 0.507 610 R N -0.734 120.059 120.500 0.488 0.000 2.096 610 R HA -0.204 4.112 4.340 -0.040 0.000 0.235 610 R C 2.040 178.573 176.300 0.389 0.000 1.127 610 R CA 1.725 58.099 56.100 0.458 0.000 0.968 610 R CB -0.552 29.945 30.300 0.328 0.000 0.861 610 R HN 0.476 nan 8.270 nan 0.000 0.440 611 H N 0.862 120.078 119.070 0.245 0.000 2.293 611 H HA -0.053 4.480 4.556 -0.040 0.000 0.300 611 H C 1.890 177.407 175.328 0.315 0.000 1.082 611 H CA 1.929 58.113 56.048 0.227 0.000 1.308 611 H CB -0.114 29.735 29.762 0.145 0.000 1.375 611 H HN 0.069 nan 8.280 nan 0.000 0.495 612 I N -0.485 120.252 120.570 0.278 0.000 2.226 612 I HA -0.235 3.910 4.170 -0.040 0.000 0.245 612 I C 2.058 178.180 176.117 0.008 0.000 1.100 612 I CA 1.257 62.650 61.300 0.155 0.000 1.374 612 I CB -0.378 37.804 38.000 0.303 0.000 1.057 612 I HN 0.270 nan 8.210 nan 0.000 0.413 613 F N 2.133 122.095 119.950 0.019 0.000 2.161 613 F HA -0.236 4.268 4.527 -0.039 0.000 0.300 613 F C 2.512 178.143 175.800 -0.281 0.000 1.089 613 F CA 1.850 59.720 58.000 -0.216 0.000 1.282 613 F CB -0.461 38.297 39.000 -0.402 0.000 1.010 613 F HN 0.079 nan 8.300 nan 0.000 0.485 614 T N -2.111 112.352 114.554 -0.153 0.000 3.317 614 T HA 0.097 4.423 4.350 -0.040 0.000 0.250 614 T C 1.601 175.968 174.700 -0.555 0.000 1.106 614 T CA 0.165 62.119 62.100 -0.243 0.000 0.986 614 T CB -0.243 68.687 68.868 0.103 0.000 1.010 614 T HN 0.455 nan 8.240 nan 0.000 0.560 615 R N -0.371 119.700 120.500 -0.716 0.000 2.573 615 R HA 0.276 4.591 4.340 -0.040 0.000 0.224 615 R C 0.111 175.975 176.300 -0.726 0.000 0.904 615 R CA -0.108 55.434 56.100 -0.930 0.000 0.995 615 R CB 0.592 30.249 30.300 -1.073 0.000 1.430 615 R HN 0.297 nan 8.270 nan 0.000 0.631 616 E N 1.742 121.554 120.200 -0.646 0.000 2.369 616 E HA 0.021 4.347 4.350 -0.040 0.000 0.255 616 E C -0.661 175.601 176.600 -0.565 0.000 1.172 616 E CA -0.142 55.914 56.400 -0.574 0.000 0.932 616 E CB 0.696 29.993 29.700 -0.672 0.000 1.040 616 E HN 0.225 nan 8.360 nan 0.000 0.454 617 D N -0.299 119.835 120.400 -0.444 0.000 2.478 617 D HA 0.099 4.715 4.640 -0.040 0.000 0.269 617 D C 0.654 176.721 176.300 -0.388 0.000 1.232 617 D CA -0.240 53.527 54.000 -0.388 0.000 1.059 617 D CB -0.230 40.400 40.800 -0.283 0.000 1.104 617 D HN 0.356 nan 8.370 nan 0.000 0.566 618 T N -0.353 114.009 114.554 -0.320 0.000 2.607 618 T HA -0.176 4.150 4.350 -0.040 0.000 0.267 618 T C 1.841 176.381 174.700 -0.266 0.000 1.049 618 T CA 2.636 64.558 62.100 -0.296 0.000 1.162 618 T CB -0.770 67.952 68.868 -0.243 0.000 0.863 618 T HN 0.539 nan 8.240 nan 0.000 0.424 619 T N 2.726 117.154 114.554 -0.210 0.000 2.635 619 T HA -0.149 4.177 4.350 -0.040 0.000 0.267 619 T C 2.025 176.615 174.700 -0.183 0.000 1.040 619 T CA 1.396 63.399 62.100 -0.161 0.000 1.156 619 T CB -0.445 68.357 68.868 -0.111 0.000 0.863 619 T HN 0.350 nan 8.240 nan 0.000 0.430 620 N N 0.859 119.412 118.700 -0.245 0.000 2.216 620 N HA 0.014 4.730 4.740 -0.040 0.000 0.183 620 N C 2.191 177.431 175.510 -0.450 0.000 1.017 620 N CA 0.803 53.648 53.050 -0.340 0.000 0.861 620 N CB -0.484 37.704 38.487 -0.498 0.000 0.986 620 N HN 0.259 nan 8.380 nan 0.000 0.428 621 S N 1.424 116.849 115.700 -0.459 0.000 2.383 621 S HA 0.006 4.452 4.470 -0.040 0.000 0.229 621 S C 2.093 176.604 174.600 -0.148 0.000 1.030 621 S CA 0.634 58.606 58.200 -0.380 0.000 1.002 621 S CB -0.206 62.654 63.200 -0.566 0.000 0.829 621 S HN 0.269 nan 8.310 nan 0.000 0.467 622 L N 0.711 121.808 121.223 -0.211 0.000 2.093 622 L HA -0.045 4.271 4.340 -0.040 0.000 0.208 622 L C 2.144 178.972 176.870 -0.069 0.000 1.085 622 L CA 1.020 55.748 54.840 -0.186 0.000 0.755 622 L CB -0.538 41.396 42.059 -0.209 0.000 0.904 622 L HN 0.313 nan 8.230 nan 0.000 0.435 623 I N -0.629 119.888 120.570 -0.088 0.000 2.252 623 I HA -0.305 3.841 4.170 -0.040 0.000 0.245 623 I C 2.604 178.696 176.117 -0.042 0.000 1.102 623 I CA 1.373 62.641 61.300 -0.054 0.000 1.385 623 I CB -0.150 37.833 38.000 -0.029 0.000 1.064 623 I HN 0.268 nan 8.210 nan 0.000 0.414 624 M N 0.132 119.700 119.600 -0.053 0.000 2.132 624 M HA -0.184 4.272 4.480 -0.040 0.000 0.263 624 M C 2.349 178.787 176.300 0.231 0.000 1.065 624 M CA 1.951 57.306 55.300 0.091 0.000 1.122 624 M CB -0.321 32.389 32.600 0.183 0.000 1.365 624 M HN 0.176 nan 8.290 nan 0.000 0.411 625 I N -0.697 119.970 120.570 0.163 0.000 2.133 625 I HA -0.231 3.915 4.170 -0.040 0.000 0.238 625 I C 1.618 177.801 176.117 0.110 0.000 1.074 625 I CA 1.217 62.604 61.300 0.144 0.000 1.342 625 I CB -0.133 37.908 38.000 0.069 0.000 1.053 625 I HN 0.311 nan 8.210 nan 0.000 0.404 626 Q N 1.629 121.463 119.800 0.056 0.000 2.523 626 Q HA 0.322 4.638 4.340 -0.040 0.000 0.251 626 Q C -2.430 173.469 176.000 -0.167 0.000 1.033 626 Q CA -2.117 53.598 55.803 -0.148 0.000 0.746 626 Q CB 1.326 30.009 28.738 -0.092 0.000 1.189 626 Q HN -0.030 nan 8.270 nan 0.000 0.508 627 P HA -0.088 nan 4.420 nan 0.000 0.268 627 P C -0.830 176.389 177.300 -0.136 0.000 1.189 627 P CA 0.501 63.513 63.100 -0.147 0.000 0.771 627 P CB 0.630 32.238 31.700 -0.153 0.000 0.822 628 T N 2.936 117.438 114.554 -0.087 0.000 2.909 628 T HA 0.478 4.804 4.350 -0.040 0.000 0.286 628 T C -0.380 174.295 174.700 -0.042 0.000 1.002 628 T CA -0.106 61.959 62.100 -0.058 0.000 1.074 628 T CB 0.335 69.185 68.868 -0.029 0.000 0.984 628 T HN 0.141 nan 8.240 nan 0.000 0.495 629 L N 3.076 124.279 121.223 -0.034 0.000 2.406 629 L HA 0.533 4.849 4.340 -0.040 0.000 0.272 629 L C -0.547 176.319 176.870 -0.006 0.000 0.980 629 L CA -0.109 54.725 54.840 -0.009 0.000 0.831 629 L CB 1.805 43.850 42.059 -0.024 0.000 1.253 629 L HN 0.666 nan 8.230 nan 0.000 0.406 630 T N 2.279 116.853 114.554 0.034 0.000 2.829 630 T HA 0.565 4.891 4.350 -0.040 0.000 0.280 630 T C -0.652 174.025 174.700 -0.038 0.000 0.999 630 T CA -0.528 61.546 62.100 -0.045 0.000 0.983 630 T CB 1.611 70.472 68.868 -0.013 0.000 0.968 630 T HN 0.521 nan 8.240 nan 0.000 0.446 631 S N 1.815 117.385 115.700 -0.216 0.000 2.473 631 S HA 0.763 5.209 4.470 -0.040 0.000 0.307 631 S C -1.409 172.992 174.600 -0.332 0.000 1.094 631 S CA -0.697 57.445 58.200 -0.097 0.000 1.070 631 S CB 0.098 63.277 63.200 -0.034 0.000 1.019 631 S HN 0.439 nan 8.310 nan 0.000 0.480 632 F N 2.654 122.631 119.950 0.046 0.000 2.495 632 F HA 0.663 5.166 4.527 -0.040 0.000 0.327 632 F C 0.646 176.493 175.800 0.077 0.000 1.103 632 F CA -0.468 57.564 58.000 0.053 0.000 0.949 632 F CB 2.196 41.222 39.000 0.044 0.000 1.142 632 F HN 0.613 nan 8.300 nan 0.000 0.457 633 S N 2.203 118.034 115.700 0.219 0.000 2.618 633 S HA 0.437 4.883 4.470 -0.040 0.000 0.277 633 S C 0.146 174.864 174.600 0.198 0.000 1.138 633 S CA -0.916 57.403 58.200 0.198 0.000 0.844 633 S CB 1.698 64.981 63.200 0.138 0.000 1.127 633 S HN 0.806 nan 8.310 nan 0.000 0.474 634 M N 0.440 120.173 119.600 0.222 0.000 2.557 634 M HA 0.127 4.582 4.480 -0.040 0.000 0.259 634 M C 0.755 177.145 176.300 0.151 0.000 1.086 634 M CA 1.421 56.847 55.300 0.210 0.000 1.096 634 M CB -0.268 32.491 32.600 0.266 0.000 1.424 634 M HN 0.831 nan 8.290 nan 0.000 0.488 635 E N -0.186 120.091 120.200 0.129 0.000 2.330 635 E HA 0.105 4.430 4.350 -0.040 0.000 0.200 635 E C -0.321 176.323 176.600 0.072 0.000 0.922 635 E CA 0.397 56.854 56.400 0.094 0.000 0.935 635 E CB 0.454 30.207 29.700 0.088 0.000 0.917 635 E HN 0.408 nan 8.360 nan 0.000 0.491 636 D N 0.104 120.546 120.400 0.070 0.000 2.497 636 D HA 0.251 4.867 4.640 -0.040 0.000 0.243 636 D C -0.647 175.675 176.300 0.037 0.000 1.039 636 D CA -0.618 53.409 54.000 0.044 0.000 1.052 636 D CB 0.921 41.739 40.800 0.029 0.000 1.344 636 D HN -0.219 nan 8.370 nan 0.000 0.553 637 D N 0.268 120.676 120.400 0.012 0.000 2.313 637 D HA 0.296 4.912 4.640 -0.040 0.000 0.247 637 D C -2.132 174.125 176.300 -0.072 0.000 1.094 637 D CA -1.078 52.920 54.000 -0.003 0.000 0.925 637 D CB -0.027 40.772 40.800 -0.002 0.000 1.188 637 D HN -0.102 nan 8.370 nan 0.000 0.430 638 P HA -0.058 nan 4.420 nan 0.000 0.264 638 P C -0.720 176.398 177.300 -0.304 0.000 1.173 638 P CA 0.494 63.343 63.100 -0.418 0.000 0.761 638 P CB 0.354 31.813 31.700 -0.402 0.000 0.794 639 Q N 3.523 123.107 119.800 -0.359 0.000 2.284 639 Q HA 0.415 4.730 4.340 -0.040 0.000 0.269 639 Q C -2.926 172.970 176.000 -0.175 0.000 1.026 639 Q CA -2.350 53.334 55.803 -0.198 0.000 0.831 639 Q CB 1.974 30.638 28.738 -0.123 0.000 1.322 639 Q HN 0.159 nan 8.270 nan 0.000 0.419 640 P HA 0.103 nan 4.420 nan 0.000 0.271 640 P C -1.194 176.069 177.300 -0.061 0.000 1.216 640 P CA -0.179 62.873 63.100 -0.079 0.000 0.776 640 P CB 0.855 32.524 31.700 -0.052 0.000 0.881 641 V N 0.442 120.327 119.914 -0.048 0.000 3.007 641 V HA 0.449 4.545 4.120 -0.040 0.000 0.311 641 V C -0.576 175.502 176.094 -0.026 0.000 1.120 641 V CA -1.392 60.889 62.300 -0.032 0.000 0.980 641 V CB 1.558 33.366 31.823 -0.026 0.000 1.033 641 V HN 0.105 nan 8.190 nan 0.000 0.429 642 L N 2.612 123.827 121.223 -0.014 0.000 2.559 642 L HA 0.140 4.456 4.340 -0.040 0.000 0.282 642 L C 0.458 177.327 176.870 -0.002 0.000 1.232 642 L CA 0.294 55.132 54.840 -0.004 0.000 0.885 642 L CB -0.042 42.025 42.059 0.014 0.000 1.131 642 L HN 0.785 nan 8.230 nan 0.000 0.498 643 L N 4.798 126.015 121.223 -0.011 0.000 2.376 643 L HA 0.217 4.533 4.340 -0.040 0.000 0.250 643 L C -0.217 176.699 176.870 0.078 0.000 1.335 643 L CA 0.608 55.438 54.840 -0.017 0.000 1.214 643 L CB -0.921 41.050 42.059 -0.147 0.000 1.395 643 L HN 0.562 nan 8.230 nan 0.000 0.424 644 D N -0.442 119.987 120.400 0.048 0.000 2.732 644 D HA 0.171 4.787 4.640 -0.040 0.000 0.229 644 D C 0.891 177.202 176.300 0.017 0.000 1.152 644 D CA 0.261 54.294 54.000 0.055 0.000 0.854 644 D CB 2.284 43.110 40.800 0.044 0.000 1.590 644 D HN 0.308 nan 8.370 nan 0.000 0.468 645 S N 2.113 117.822 115.700 0.015 0.000 2.419 645 S HA -0.145 4.301 4.470 -0.040 0.000 0.235 645 S C 2.048 176.643 174.600 -0.009 0.000 1.019 645 S CA 0.600 58.795 58.200 -0.008 0.000 0.982 645 S CB -0.357 62.842 63.200 -0.003 0.000 0.789 645 S HN 0.624 nan 8.310 nan 0.000 0.490 646 I N 1.853 122.424 120.570 0.001 0.000 2.756 646 I HA -0.084 4.062 4.170 -0.040 0.000 0.262 646 I C 1.874 177.994 176.117 0.004 0.000 1.225 646 I CA 0.749 62.051 61.300 0.003 0.000 1.472 646 I CB -0.380 37.623 38.000 0.005 0.000 1.094 646 I HN 0.314 nan 8.210 nan 0.000 0.454 647 S N 0.008 115.707 115.700 -0.001 0.000 2.496 647 S HA 0.049 4.495 4.470 -0.040 0.000 0.224 647 S C 0.914 175.516 174.600 0.004 0.000 0.996 647 S CA 0.086 58.287 58.200 0.001 0.000 0.927 647 S CB 0.034 63.231 63.200 -0.005 0.000 0.774 647 S HN 0.102 nan 8.310 nan 0.000 0.524 648 V N 3.374 123.278 119.914 -0.016 0.000 2.403 648 V HA 0.180 4.276 4.120 -0.040 0.000 0.265 648 V C 0.153 176.278 176.094 0.050 0.000 1.034 648 V CA 0.290 62.580 62.300 -0.016 0.000 1.036 648 V CB -0.162 31.607 31.823 -0.090 0.000 1.032 648 V HN 0.236 nan 8.190 nan 0.000 0.478 649 K N 7.057 127.515 120.400 0.097 0.000 2.318 649 K HA 0.458 4.754 4.320 -0.040 0.000 0.249 649 K C -1.679 174.984 176.600 0.105 0.000 0.942 649 K CA -1.842 54.495 56.287 0.083 0.000 0.808 649 K CB 2.515 35.053 32.500 0.063 0.000 1.189 649 K HN 0.207 nan 8.250 nan 0.000 0.428 650 P HA -0.152 nan 4.420 nan 0.000 0.223 650 P C -0.143 177.119 177.300 -0.063 0.000 1.151 650 P CA 1.322 64.416 63.100 -0.010 0.000 0.787 650 P CB 0.021 31.689 31.700 -0.053 0.000 0.788 651 N N -0.747 117.938 118.700 -0.024 0.000 2.234 651 N HA 0.079 4.794 4.740 -0.040 0.000 0.227 651 N C -0.021 175.548 175.510 0.098 0.000 1.151 651 N CA -0.434 52.605 53.050 -0.018 0.000 0.865 651 N CB 0.195 38.677 38.487 -0.009 0.000 1.066 651 N HN 0.009 nan 8.380 nan 0.000 0.515 652 T N -1.761 112.862 114.554 0.116 0.000 2.916 652 T HA 0.569 4.895 4.350 -0.040 0.000 0.292 652 T C -0.474 174.335 174.700 0.182 0.000 1.064 652 T CA -0.829 61.369 62.100 0.162 0.000 1.011 652 T CB 1.942 70.894 68.868 0.139 0.000 1.152 652 T HN 0.039 nan 8.240 nan 0.000 0.510 653 I N 1.589 122.287 120.570 0.214 0.000 2.412 653 I HA 0.454 4.599 4.170 -0.040 0.000 0.296 653 I C -0.573 175.700 176.117 0.260 0.000 0.987 653 I CA -1.181 60.209 61.300 0.150 0.000 1.180 653 I CB 1.707 39.729 38.000 0.038 0.000 1.340 653 I HN 0.442 nan 8.210 nan 0.000 0.455 654 L N 6.177 127.531 121.223 0.218 0.000 2.322 654 L HA 0.486 4.802 4.340 -0.040 0.000 0.281 654 L C -0.891 176.093 176.870 0.190 0.000 1.014 654 L CA -0.827 54.151 54.840 0.230 0.000 0.815 654 L CB 2.042 44.200 42.059 0.166 0.000 1.247 654 L HN 0.380 nan 8.230 nan 0.000 0.421 655 L N 4.695 126.073 121.223 0.259 0.000 2.280 655 L HA 0.532 4.848 4.340 -0.040 0.000 0.287 655 L C -0.979 175.970 176.870 0.133 0.000 1.023 655 L CA -0.272 54.688 54.840 0.200 0.000 0.819 655 L CB 1.449 43.705 42.059 0.327 0.000 1.212 655 L HN 0.477 nan 8.230 nan 0.000 0.420 656 L N 4.987 126.267 121.223 0.095 0.000 2.313 656 L HA 0.597 4.913 4.340 -0.040 0.000 0.283 656 L C -1.227 175.645 176.870 0.003 0.000 1.013 656 L CA -0.026 54.845 54.840 0.053 0.000 0.816 656 L CB 1.478 43.590 42.059 0.089 0.000 1.236 656 L HN 0.666 nan 8.230 nan 0.000 0.419 657 D N 2.214 122.580 120.400 -0.056 0.000 2.440 657 D HA 0.320 4.936 4.640 -0.040 0.000 0.239 657 D C 0.411 176.592 176.300 -0.199 0.000 1.084 657 D CA 0.012 53.943 54.000 -0.115 0.000 0.843 657 D CB 1.470 42.237 40.800 -0.054 0.000 1.097 657 D HN 0.647 nan 8.370 nan 0.000 0.531 658 T N 1.089 115.408 114.554 -0.391 0.000 3.134 658 T HA 0.168 4.494 4.350 -0.040 0.000 0.260 658 T C 1.208 175.766 174.700 -0.238 0.000 1.027 658 T CA -0.207 61.662 62.100 -0.385 0.000 0.913 658 T CB -0.423 67.991 68.868 -0.756 0.000 1.046 658 T HN 0.414 nan 8.240 nan 0.000 0.553 659 F N 0.770 120.483 119.950 -0.395 0.000 2.544 659 F HA -0.390 4.113 4.527 -0.040 0.000 0.702 659 F C 0.706 176.280 175.800 -0.377 0.000 0.487 659 F CA 1.812 59.561 58.000 -0.417 0.000 0.774 659 F CB -1.536 37.110 39.000 -0.589 0.000 1.639 659 F HN 0.226 nan 8.300 nan 0.000 0.268 660 F N 0.527 120.452 119.950 -0.042 0.000 2.216 660 F HA 0.020 4.524 4.527 -0.040 0.000 0.300 660 F C 1.032 176.840 175.800 0.013 0.000 1.085 660 F CA 1.548 59.549 58.000 0.001 0.000 1.326 660 F CB -0.303 38.741 39.000 0.073 0.000 1.027 660 F HN 0.108 nan 8.300 nan 0.000 0.497 661 F N -2.019 117.964 119.950 0.055 0.000 2.645 661 F HA 0.678 5.181 4.527 -0.040 0.000 0.310 661 F C -1.389 174.370 175.800 -0.067 0.000 1.102 661 F CA -2.469 55.502 58.000 -0.049 0.000 0.952 661 F CB 0.873 39.782 39.000 -0.151 0.000 1.326 661 F HN -0.413 nan 8.300 nan 0.000 0.456 662 I N 3.808 124.522 120.570 0.240 0.000 2.406 662 I HA 0.503 4.649 4.170 -0.040 0.000 0.290 662 I C -1.101 175.099 176.117 0.139 0.000 0.999 662 I CA -0.695 60.704 61.300 0.165 0.000 1.124 662 I CB 1.479 39.602 38.000 0.204 0.000 1.289 662 I HN 0.785 nan 8.210 nan 0.000 0.441 663 L N 7.418 128.725 121.223 0.139 0.000 2.381 663 L HA 0.608 4.924 4.340 -0.040 0.000 0.274 663 L C -1.158 175.721 176.870 0.015 0.000 0.988 663 L CA -0.479 54.375 54.840 0.022 0.000 0.824 663 L CB 2.164 44.335 42.059 0.186 0.000 1.263 663 L HN 0.438 nan 8.230 nan 0.000 0.410 664 I N 4.737 125.256 120.570 -0.085 0.000 2.362 664 I HA 0.270 4.416 4.170 -0.040 0.000 0.289 664 I C -1.365 174.707 176.117 -0.074 0.000 0.994 664 I CA -0.613 60.642 61.300 -0.074 0.000 1.158 664 I CB 1.634 39.582 38.000 -0.087 0.000 1.315 664 I HN 0.530 nan 8.210 nan 0.000 0.451 665 Y N 6.475 126.656 120.300 -0.198 0.000 2.341 665 Y HA 0.417 4.943 4.550 -0.040 0.000 0.338 665 Y C -0.587 175.170 175.900 -0.239 0.000 0.965 665 Y CA -0.599 57.417 58.100 -0.139 0.000 1.108 665 Y CB 0.904 39.347 38.460 -0.028 0.000 1.180 665 Y HN 0.452 nan 8.280 nan 0.000 0.458 666 H N 4.584 123.371 119.070 -0.473 0.000 2.488 666 H HA 0.323 4.855 4.556 -0.040 0.000 0.322 666 H C 0.382 175.358 175.328 -0.586 0.000 1.078 666 H CA -0.257 55.585 56.048 -0.344 0.000 1.260 666 H CB 1.372 31.007 29.762 -0.212 0.000 1.425 666 H HN 1.008 nan 8.280 nan 0.000 0.471 667 G N 1.709 110.425 108.800 -0.141 0.000 2.664 667 G HA2 -0.068 3.867 3.960 -0.040 0.000 0.242 667 G HA3 -0.068 3.867 3.960 -0.040 0.000 0.242 667 G C 1.021 175.842 174.900 -0.131 0.000 1.225 667 G CA -0.337 44.723 45.100 -0.066 0.000 0.849 667 G HN 0.703 nan 8.290 nan 0.000 0.581 668 E N -0.356 119.783 120.200 -0.102 0.000 2.065 668 E HA -0.292 4.034 4.350 -0.040 0.000 0.201 668 E C 2.386 178.837 176.600 -0.248 0.000 1.016 668 E CA 2.001 58.316 56.400 -0.142 0.000 0.818 668 E CB 0.009 29.647 29.700 -0.103 0.000 0.749 668 E HN 0.618 nan 8.360 nan 0.000 0.453 669 Q N 0.864 120.460 119.800 -0.339 0.000 2.002 669 Q HA -0.178 4.138 4.340 -0.040 0.000 0.204 669 Q C 2.083 177.622 176.000 -0.769 0.000 0.988 669 Q CA 1.773 57.160 55.803 -0.695 0.000 0.843 669 Q CB -0.353 27.918 28.738 -0.778 0.000 0.908 669 Q HN 0.314 nan 8.270 nan 0.000 0.420 670 I N 0.393 120.747 120.570 -0.360 0.000 2.151 670 I HA -0.328 3.818 4.170 -0.040 0.000 0.243 670 I C 2.326 178.488 176.117 0.074 0.000 1.080 670 I CA 1.219 62.548 61.300 0.049 0.000 1.339 670 I CB -0.639 37.495 38.000 0.224 0.000 1.039 670 I HN 0.361 nan 8.210 nan 0.000 0.409 671 A N -0.232 122.555 122.820 -0.056 0.000 1.972 671 A HA -0.246 4.050 4.320 -0.040 0.000 0.219 671 A C 2.304 179.840 177.584 -0.081 0.000 1.169 671 A CA 1.518 53.505 52.037 -0.083 0.000 0.635 671 A CB -0.558 18.371 19.000 -0.119 0.000 0.810 671 A HN 0.480 nan 8.150 nan 0.000 0.446 672 Q N -1.451 118.249 119.800 -0.167 0.000 2.046 672 Q HA -0.176 4.140 4.340 -0.040 0.000 0.200 672 Q C 1.932 177.877 176.000 -0.092 0.000 0.975 672 Q CA 1.482 57.185 55.803 -0.166 0.000 0.836 672 Q CB -0.173 28.393 28.738 -0.287 0.000 0.896 672 Q HN 0.879 nan 8.270 nan 0.000 0.428 673 W N 0.706 121.817 121.300 -0.315 0.000 2.363 673 W HA -0.084 4.551 4.660 -0.041 0.000 0.296 673 W C 2.191 178.591 176.519 -0.199 0.000 1.212 673 W CA 0.663 57.618 57.345 -0.650 0.000 1.260 673 W CB -0.748 27.985 29.460 -1.212 0.000 1.131 673 W HN 0.259 nan 8.180 nan 0.000 0.530 674 R N 1.060 121.737 120.500 0.294 0.000 2.083 674 R HA -0.188 4.128 4.340 -0.040 0.000 0.237 674 R C 2.136 178.523 176.300 0.145 0.000 1.137 674 R CA 2.006 58.269 56.100 0.273 0.000 0.951 674 R CB -0.274 30.066 30.300 0.067 0.000 0.851 674 R HN 0.055 nan 8.270 nan 0.000 0.434 675 K N -0.328 120.118 120.400 0.076 0.000 2.097 675 K HA -0.097 4.199 4.320 -0.040 0.000 0.206 675 K C 2.036 178.691 176.600 0.093 0.000 1.049 675 K CA 1.308 57.628 56.287 0.055 0.000 0.933 675 K CB -0.098 32.415 32.500 0.022 0.000 0.717 675 K HN 0.231 nan 8.250 nan 0.000 0.442 676 A N 0.437 123.344 122.820 0.145 0.000 1.930 676 A HA 0.024 4.319 4.320 -0.040 0.000 0.217 676 A C 1.671 179.367 177.584 0.187 0.000 1.175 676 A CA 1.576 53.733 52.037 0.201 0.000 0.627 676 A CB -0.464 18.771 19.000 0.391 0.000 0.815 676 A HN 0.447 nan 8.150 nan 0.000 0.443 677 G N -3.325 105.615 108.800 0.234 0.000 2.138 677 G HA2 -0.242 3.694 3.960 -0.040 0.000 0.193 677 G HA3 -0.242 3.694 3.960 -0.040 0.000 0.193 677 G C 0.460 175.471 174.900 0.185 0.000 0.998 677 G CA 0.400 45.606 45.100 0.176 0.000 0.668 677 G HN 0.322 nan 8.290 nan 0.000 0.516 678 Y N 0.858 121.109 120.300 -0.082 0.000 2.348 678 Y HA -0.238 4.288 4.550 -0.040 0.000 0.285 678 Y C 2.880 178.796 175.900 0.028 0.000 1.173 678 Y CA 2.271 60.203 58.100 -0.280 0.000 1.263 678 Y CB -0.415 37.517 38.460 -0.881 0.000 0.974 678 Y HN 0.564 nan 8.280 nan 0.000 0.547 679 Q N 0.064 120.091 119.800 0.377 0.000 2.077 679 Q HA -0.183 4.133 4.340 -0.040 0.000 0.206 679 Q C 1.297 177.403 176.000 0.176 0.000 0.989 679 Q CA 1.782 57.763 55.803 0.296 0.000 0.853 679 Q CB -0.378 28.464 28.738 0.173 0.000 0.907 679 Q HN 0.453 nan 8.270 nan 0.000 0.418 680 D N 0.989 121.460 120.400 0.118 0.000 2.368 680 D HA -0.023 4.593 4.640 -0.040 0.000 0.250 680 D C -0.505 175.834 176.300 0.064 0.000 1.142 680 D CA 0.565 54.609 54.000 0.072 0.000 0.925 680 D CB -0.130 40.697 40.800 0.046 0.000 0.896 680 D HN 0.229 nan 8.370 nan 0.000 0.525 681 D N 0.385 120.848 120.400 0.106 0.000 2.498 681 D HA 0.284 4.900 4.640 -0.040 0.000 0.247 681 D C -2.317 174.067 176.300 0.141 0.000 1.070 681 D CA -1.677 52.390 54.000 0.112 0.000 0.842 681 D CB 2.628 43.507 40.800 0.132 0.000 1.361 681 D HN -0.165 nan 8.370 nan 0.000 0.484 682 P HA -0.031 nan 4.420 nan 0.000 0.273 682 P C 0.587 177.850 177.300 -0.061 0.000 1.258 682 P CA 0.425 63.531 63.100 0.010 0.000 0.802 682 P CB 0.331 32.018 31.700 -0.021 0.000 1.040 683 Q N -2.481 117.250 119.800 -0.115 0.000 2.243 683 Q HA -0.320 3.996 4.340 -0.040 0.000 0.208 683 Q C -0.475 175.311 176.000 -0.356 0.000 0.722 683 Q CA 1.989 57.637 55.803 -0.259 0.000 1.420 683 Q CB -2.559 25.944 28.738 -0.392 0.000 1.787 683 Q HN 0.623 nan 8.270 nan 0.000 0.653 684 Y N -1.366 118.940 120.300 0.011 0.000 2.719 684 Y HA 0.613 5.139 4.550 -0.041 0.000 0.251 684 Y C 1.944 177.921 175.900 0.128 0.000 1.159 684 Y CA -0.133 58.004 58.100 0.061 0.000 1.166 684 Y CB 0.894 39.381 38.460 0.046 0.000 1.219 684 Y HN 0.361 nan 8.280 nan 0.000 0.551 685 A N -0.136 122.796 122.820 0.186 0.000 1.968 685 A HA -0.146 4.150 4.320 -0.040 0.000 0.217 685 A C 1.804 179.475 177.584 0.146 0.000 1.169 685 A CA 1.696 53.817 52.037 0.140 0.000 0.638 685 A CB -0.204 18.841 19.000 0.075 0.000 0.812 685 A HN 0.328 nan 8.150 nan 0.000 0.446 686 D N -0.871 119.624 120.400 0.158 0.000 2.144 686 D HA -0.154 4.462 4.640 -0.040 0.000 0.199 686 D C 1.594 178.024 176.300 0.216 0.000 0.984 686 D CA 1.229 55.324 54.000 0.157 0.000 0.834 686 D CB -0.342 40.545 40.800 0.146 0.000 0.955 686 D HN 0.457 nan 8.370 nan 0.000 0.465 687 F N 2.190 122.218 119.950 0.131 0.000 2.102 687 F HA -0.145 4.358 4.527 -0.040 0.000 0.298 687 F C 2.272 178.137 175.800 0.109 0.000 1.105 687 F CA 1.350 59.428 58.000 0.129 0.000 1.239 687 F CB -0.222 38.848 39.000 0.117 0.000 0.991 687 F HN -0.231 nan 8.300 nan 0.000 0.474 688 K N 0.057 120.490 120.400 0.054 0.000 2.218 688 K HA -0.181 4.115 4.320 -0.040 0.000 0.205 688 K C 2.034 178.583 176.600 -0.085 0.000 1.046 688 K CA 1.207 57.458 56.287 -0.061 0.000 0.933 688 K CB -0.313 32.215 32.500 0.046 0.000 0.728 688 K HN 0.354 nan 8.250 nan 0.000 0.454 689 A N 0.895 123.700 122.820 -0.024 0.000 1.898 689 A HA -0.066 4.230 4.320 -0.040 0.000 0.214 689 A C 1.940 179.504 177.584 -0.034 0.000 1.183 689 A CA 0.769 52.799 52.037 -0.010 0.000 0.622 689 A CB -0.477 18.545 19.000 0.037 0.000 0.824 689 A HN 0.350 nan 8.150 nan 0.000 0.444 690 L N 0.146 121.349 121.223 -0.033 0.000 2.079 690 L HA -0.135 4.181 4.340 -0.040 0.000 0.210 690 L C 2.141 178.948 176.870 -0.105 0.000 1.081 690 L CA 1.680 56.513 54.840 -0.012 0.000 0.752 690 L CB -0.509 41.590 42.059 0.067 0.000 0.896 690 L HN 0.408 nan 8.230 nan 0.000 0.433 691 L N -1.009 120.080 121.223 -0.225 0.000 2.141 691 L HA -0.115 4.201 4.340 -0.040 0.000 0.209 691 L C 2.506 179.311 176.870 -0.108 0.000 1.094 691 L CA 0.848 55.583 54.840 -0.174 0.000 0.763 691 L CB -0.654 41.238 42.059 -0.279 0.000 0.908 691 L HN 0.280 nan 8.230 nan 0.000 0.437 692 E N 0.042 120.176 120.200 -0.110 0.000 2.122 692 E HA -0.145 4.181 4.350 -0.040 0.000 0.190 692 E C 1.904 178.434 176.600 -0.117 0.000 0.977 692 E CA 0.478 56.824 56.400 -0.089 0.000 0.820 692 E CB -0.004 29.659 29.700 -0.061 0.000 0.770 692 E HN 0.470 nan 8.360 nan 0.000 0.462 693 E N 0.663 120.788 120.200 -0.125 0.000 2.055 693 E HA -0.199 4.127 4.350 -0.040 0.000 0.209 693 E C -0.695 175.688 176.600 -0.360 0.000 1.036 693 E CA 2.114 58.424 56.400 -0.149 0.000 0.849 693 E CB -0.783 28.896 29.700 -0.035 0.000 0.767 693 E HN 0.180 nan 8.360 nan 0.000 0.461 694 P HA -0.180 nan 4.420 nan 0.000 0.218 694 P C 0.633 177.766 177.300 -0.278 0.000 1.148 694 P CA 1.585 64.211 63.100 -0.791 0.000 0.822 694 P CB -0.036 31.138 31.700 -0.876 0.000 0.784 695 K N -0.484 119.813 120.400 -0.173 0.000 2.211 695 K HA -0.020 4.276 4.320 -0.040 0.000 0.203 695 K C 2.295 178.838 176.600 -0.096 0.000 1.050 695 K CA 0.807 57.047 56.287 -0.079 0.000 0.945 695 K CB -0.417 32.047 32.500 -0.061 0.000 0.732 695 K HN 0.214 nan 8.250 nan 0.000 0.451 696 L N 0.624 121.789 121.223 -0.097 0.000 2.179 696 L HA -0.106 4.210 4.340 -0.040 0.000 0.208 696 L C 2.093 178.941 176.870 -0.036 0.000 1.096 696 L CA 1.065 55.868 54.840 -0.062 0.000 0.779 696 L CB -0.035 41.999 42.059 -0.040 0.000 0.922 696 L HN 0.195 nan 8.230 nan 0.000 0.443 697 E N -0.299 119.885 120.200 -0.027 0.000 2.158 697 E HA -0.114 4.212 4.350 -0.040 0.000 0.191 697 E C 2.197 178.806 176.600 0.016 0.000 0.982 697 E CA 0.774 57.190 56.400 0.027 0.000 0.823 697 E CB 0.073 29.843 29.700 0.115 0.000 0.766 697 E HN 0.462 nan 8.360 nan 0.000 0.468 698 A N 1.656 124.479 122.820 0.005 0.000 1.845 698 A HA -0.131 4.165 4.320 -0.040 0.000 0.215 698 A C 2.436 180.001 177.584 -0.031 0.000 1.195 698 A CA 1.707 53.765 52.037 0.034 0.000 0.616 698 A CB -0.871 18.204 19.000 0.125 0.000 0.832 698 A HN 0.294 nan 8.150 nan 0.000 0.443 699 A N -0.504 122.261 122.820 -0.091 0.000 1.958 699 A HA -0.251 4.045 4.320 -0.040 0.000 0.221 699 A C 1.964 179.506 177.584 -0.069 0.000 1.178 699 A CA 2.463 54.432 52.037 -0.113 0.000 0.642 699 A CB -0.549 18.377 19.000 -0.123 0.000 0.816 699 A HN 0.563 nan 8.150 nan 0.000 0.453 700 E N 0.016 120.189 120.200 -0.044 0.000 2.106 700 E HA -0.085 4.241 4.350 -0.040 0.000 0.192 700 E C 1.812 178.393 176.600 -0.033 0.000 0.984 700 E CA 1.102 57.484 56.400 -0.030 0.000 0.806 700 E CB -0.366 29.328 29.700 -0.011 0.000 0.750 700 E HN 0.634 nan 8.360 nan 0.000 0.458 701 L N -0.189 121.015 121.223 -0.031 0.000 2.093 701 L HA -0.100 4.215 4.340 -0.040 0.000 0.208 701 L C 2.351 179.173 176.870 -0.080 0.000 1.085 701 L CA 0.696 55.508 54.840 -0.047 0.000 0.755 701 L CB -0.356 41.683 42.059 -0.033 0.000 0.904 701 L HN 0.181 nan 8.230 nan 0.000 0.435 702 L N -1.212 119.968 121.223 -0.072 0.000 2.201 702 L HA -0.153 4.162 4.340 -0.040 0.000 0.212 702 L C 2.507 179.330 176.870 -0.080 0.000 1.105 702 L CA 0.409 55.198 54.840 -0.085 0.000 0.775 702 L CB -0.576 41.437 42.059 -0.077 0.000 0.913 702 L HN 0.046 nan 8.230 nan 0.000 0.440 703 V N -0.418 119.457 119.914 -0.064 0.000 2.220 703 V HA -0.323 3.773 4.120 -0.040 0.000 0.250 703 V C 0.566 176.630 176.094 -0.049 0.000 1.053 703 V CA 1.808 64.079 62.300 -0.048 0.000 1.019 703 V CB -0.292 31.509 31.823 -0.036 0.000 0.646 703 V HN 0.425 nan 8.190 nan 0.000 0.455 704 D N 0.603 120.965 120.400 -0.064 0.000 2.485 704 D HA 0.454 5.069 4.640 -0.040 0.000 0.256 704 D C -0.073 176.125 176.300 -0.169 0.000 1.141 704 D CA 0.030 53.978 54.000 -0.088 0.000 0.942 704 D CB 0.757 41.528 40.800 -0.049 0.000 1.003 704 D HN 0.330 nan 8.370 nan 0.000 0.507 705 R N 1.728 122.122 120.500 -0.176 0.000 2.566 705 R HA 0.437 4.753 4.340 -0.040 0.000 0.271 705 R C -2.072 174.151 176.300 -0.129 0.000 1.071 705 R CA -0.706 55.260 56.100 -0.224 0.000 0.915 705 R CB 1.548 31.676 30.300 -0.287 0.000 1.228 705 R HN 0.073 nan 8.270 nan 0.000 0.449 706 F N 5.939 125.734 119.950 -0.258 0.000 2.529 706 F HA 0.629 5.132 4.527 -0.040 0.000 0.320 706 F C -2.257 173.544 175.800 0.002 0.000 1.118 706 F CA -1.974 55.958 58.000 -0.113 0.000 0.915 706 F CB 1.858 40.795 39.000 -0.105 0.000 1.161 706 F HN 0.439 nan 8.300 nan 0.000 0.445 707 P HA 0.228 nan 4.420 nan 0.000 0.282 707 P C -1.051 176.031 177.300 -0.363 0.000 1.287 707 P CA -0.568 61.980 63.100 -0.920 0.000 0.792 707 P CB 1.394 32.692 31.700 -0.670 0.000 1.163 708 L N 2.241 123.326 121.223 -0.230 0.000 2.513 708 L HA 0.219 4.535 4.340 -0.040 0.000 0.272 708 L C -2.106 174.720 176.870 -0.073 0.000 1.187 708 L CA -1.269 53.503 54.840 -0.112 0.000 0.895 708 L CB -0.450 41.588 42.059 -0.035 0.000 1.147 708 L HN 0.267 nan 8.230 nan 0.000 0.483 709 P HA 0.118 nan 4.420 nan 0.000 0.276 709 P C -1.177 176.165 177.300 0.070 0.000 1.252 709 P CA -0.668 62.412 63.100 -0.033 0.000 0.802 709 P CB 0.693 32.309 31.700 -0.141 0.000 1.035 710 R N 1.321 121.900 120.500 0.130 0.000 2.490 710 R HA 0.303 4.619 4.340 -0.040 0.000 0.280 710 R C -1.024 175.361 176.300 0.141 0.000 1.077 710 R CA -0.411 55.754 56.100 0.108 0.000 1.065 710 R CB 0.051 30.371 30.300 0.033 0.000 1.003 710 R HN 0.415 nan 8.270 nan 0.000 0.470 711 F N 5.763 125.702 119.950 -0.018 0.000 2.444 711 F HA 0.496 4.999 4.527 -0.041 0.000 0.342 711 F C -1.115 174.658 175.800 -0.045 0.000 1.121 711 F CA -0.845 57.147 58.000 -0.013 0.000 0.997 711 F CB 0.865 39.858 39.000 -0.011 0.000 1.130 711 F HN 0.353 nan 8.300 nan 0.000 0.454 712 I N 5.656 125.665 120.570 -0.934 0.000 2.465 712 I HA 0.289 4.435 4.170 -0.040 0.000 0.291 712 I C -1.183 174.418 176.117 -0.860 0.000 1.014 712 I CA -0.688 60.178 61.300 -0.723 0.000 1.093 712 I CB 1.888 39.599 38.000 -0.481 0.000 1.267 712 I HN 0.481 nan 8.210 nan 0.000 0.431 713 D N 4.776 124.875 120.400 -0.500 0.000 2.471 713 D HA 0.414 5.030 4.640 -0.040 0.000 0.245 713 D C -1.041 175.236 176.300 -0.039 0.000 1.116 713 D CA 0.093 53.965 54.000 -0.213 0.000 0.853 713 D CB 1.923 42.728 40.800 0.008 0.000 1.123 713 D HN 0.553 nan 8.370 nan 0.000 0.540 714 T N 2.195 116.766 114.554 0.029 0.000 2.778 714 T HA 0.557 4.883 4.350 -0.040 0.000 0.293 714 T C -1.176 173.547 174.700 0.038 0.000 1.144 714 T CA -0.377 61.757 62.100 0.056 0.000 1.010 714 T CB 1.686 70.599 68.868 0.074 0.000 1.325 714 T HN 0.397 nan 8.240 nan 0.000 0.515 715 E N -0.173 119.993 120.200 -0.057 0.000 2.445 715 E HA 0.682 5.008 4.350 -0.040 0.000 0.273 715 E C -1.065 175.375 176.600 -0.266 0.000 0.961 715 E CA -1.200 55.038 56.400 -0.271 0.000 0.807 715 E CB 1.663 31.276 29.700 -0.144 0.000 1.362 715 E HN 0.788 nan 8.360 nan 0.000 0.453 716 A N 0.556 123.152 122.820 -0.373 0.000 2.522 716 A HA 0.426 4.722 4.320 -0.040 0.000 0.256 716 A C 1.059 178.659 177.584 0.027 0.000 1.086 716 A CA 1.099 53.130 52.037 -0.011 0.000 0.763 716 A CB -1.114 17.887 19.000 0.001 0.000 1.024 716 A HN 0.865 nan 8.150 nan 0.000 0.502 717 G N 1.849 110.702 108.800 0.089 0.000 2.176 717 G HA2 0.009 3.945 3.960 -0.040 0.000 0.232 717 G HA3 0.009 3.945 3.960 -0.040 0.000 0.232 717 G C 0.786 175.709 174.900 0.038 0.000 0.986 717 G CA 0.281 45.408 45.100 0.046 0.000 0.643 717 G HN 1.856 nan 8.290 nan 0.000 0.522 718 G N -0.105 108.728 108.800 0.056 0.000 2.503 718 G HA2 0.502 4.438 3.960 -0.040 0.000 0.257 718 G HA3 0.502 4.438 3.960 -0.040 0.000 0.257 718 G C 1.086 176.013 174.900 0.046 0.000 1.214 718 G CA 1.070 46.196 45.100 0.044 0.000 0.839 718 G HN 0.909 nan 8.290 nan 0.000 0.559 719 S N 0.254 115.970 115.700 0.027 0.000 2.423 719 S HA -0.127 4.319 4.470 -0.040 0.000 0.231 719 S C 2.066 176.672 174.600 0.010 0.000 1.014 719 S CA 1.729 59.935 58.200 0.009 0.000 0.965 719 S CB -0.185 63.017 63.200 0.003 0.000 0.785 719 S HN 0.668 nan 8.310 nan 0.000 0.495 720 Q N -0.047 119.787 119.800 0.056 0.000 2.424 720 Q HA 0.285 4.601 4.340 -0.040 0.000 0.204 720 Q C 2.151 178.237 176.000 0.144 0.000 0.933 720 Q CA 0.608 56.485 55.803 0.122 0.000 0.929 720 Q CB -0.146 28.675 28.738 0.138 0.000 1.037 720 Q HN 0.643 nan 8.270 nan 0.000 0.511 721 A N 1.120 124.018 122.820 0.130 0.000 2.225 721 A HA -0.149 4.147 4.320 -0.040 0.000 0.215 721 A C 1.789 179.417 177.584 0.074 0.000 1.164 721 A CA 0.752 52.898 52.037 0.182 0.000 0.710 721 A CB -0.227 18.947 19.000 0.291 0.000 0.780 721 A HN 0.209 nan 8.150 nan 0.000 0.473 722 R N -1.868 118.629 120.500 -0.006 0.000 2.189 722 R HA 0.000 4.316 4.340 -0.040 0.000 0.218 722 R C 1.389 177.620 176.300 -0.115 0.000 1.074 722 R CA 1.072 57.116 56.100 -0.094 0.000 0.991 722 R CB -0.330 29.861 30.300 -0.181 0.000 0.883 722 R HN 0.615 nan 8.270 nan 0.000 0.457 723 F N 0.373 120.286 119.950 -0.063 0.000 2.216 723 F HA -0.218 4.285 4.527 -0.040 0.000 0.300 723 F C 2.134 177.987 175.800 0.088 0.000 1.085 723 F CA 0.832 58.780 58.000 -0.086 0.000 1.326 723 F CB -0.074 38.678 39.000 -0.415 0.000 1.027 723 F HN 0.042 nan 8.300 nan 0.000 0.497 724 L N 0.149 121.501 121.223 0.214 0.000 2.022 724 L HA -0.106 4.210 4.340 -0.040 0.000 0.204 724 L C 2.050 178.947 176.870 0.045 0.000 1.076 724 L CA 1.645 56.560 54.840 0.125 0.000 0.749 724 L CB -0.977 41.068 42.059 -0.023 0.000 0.903 724 L HN 0.054 nan 8.230 nan 0.000 0.439 725 L N 0.152 121.366 121.223 -0.015 0.000 2.021 725 L HA -0.260 4.056 4.340 -0.040 0.000 0.215 725 L C 2.630 179.503 176.870 0.005 0.000 1.074 725 L CA 1.822 56.646 54.840 -0.027 0.000 0.760 725 L CB -1.402 40.635 42.059 -0.037 0.000 0.889 725 L HN 0.608 nan 8.230 nan 0.000 0.433 726 S N -0.904 114.803 115.700 0.012 0.000 2.537 726 S HA -0.085 4.360 4.470 -0.040 0.000 0.240 726 S C 1.558 176.185 174.600 0.044 0.000 0.981 726 S CA 0.632 58.840 58.200 0.014 0.000 0.948 726 S CB -0.148 63.046 63.200 -0.009 0.000 0.759 726 S HN 0.398 nan 8.310 nan 0.000 0.531 727 K N 0.557 121.000 120.400 0.071 0.000 2.355 727 K HA 0.387 4.683 4.320 -0.040 0.000 0.198 727 K C 0.209 176.878 176.600 0.115 0.000 1.039 727 K CA -0.033 56.305 56.287 0.085 0.000 1.075 727 K CB 0.210 32.761 32.500 0.085 0.000 0.870 727 K HN 0.438 nan 8.250 nan 0.000 0.540 728 L N 1.956 123.234 121.223 0.092 0.000 2.399 728 L HA 0.224 4.540 4.340 -0.040 0.000 0.266 728 L C 0.468 177.430 176.870 0.155 0.000 1.114 728 L CA -0.934 53.977 54.840 0.118 0.000 0.804 728 L CB 0.321 42.408 42.059 0.047 0.000 1.146 728 L HN -0.016 nan 8.230 nan 0.000 0.451 729 N N 2.582 121.409 118.700 0.212 0.000 2.497 729 N HA 0.143 4.859 4.740 -0.040 0.000 0.268 729 N C -2.488 173.072 175.510 0.083 0.000 1.171 729 N CA -1.228 51.928 53.050 0.177 0.000 0.948 729 N CB 0.817 39.392 38.487 0.147 0.000 1.069 729 N HN 0.214 nan 8.380 nan 0.000 0.460 730 P HA 0.172 nan 4.420 nan 0.000 0.260 730 P C -0.698 176.609 177.300 0.012 0.000 1.651 730 P CA -0.210 62.908 63.100 0.030 0.000 1.139 730 P CB 0.316 32.033 31.700 0.028 0.000 1.756 744 I N 2.898 123.468 120.570 0.001 0.000 2.406 744 I HA 0.525 4.671 4.170 -0.040 0.000 0.290 744 I C 0.418 176.533 176.117 -0.004 0.000 0.999 744 I CA -1.270 60.029 61.300 -0.001 0.000 1.124 744 I CB 1.841 39.840 38.000 -0.001 0.000 1.289 744 I HN 0.461 nan 8.210 nan 0.000 0.441 745 V N 5.512 125.423 119.914 -0.005 0.000 2.583 745 V HA 0.390 4.486 4.120 -0.040 0.000 0.287 745 V C 0.067 176.157 176.094 -0.007 0.000 1.051 745 V CA -0.608 61.688 62.300 -0.006 0.000 1.010 745 V CB 1.151 32.972 31.823 -0.003 0.000 0.988 745 V HN 0.541 nan 8.190 nan 0.000 0.478 746 L N 5.084 126.301 121.223 -0.009 0.000 2.375 746 L HA 0.549 4.865 4.340 -0.040 0.000 0.276 746 L C 0.375 177.236 176.870 -0.016 0.000 1.162 746 L CA 0.453 55.286 54.840 -0.011 0.000 0.991 746 L CB -0.096 41.956 42.059 -0.012 0.000 1.315 746 L HN 1.019 nan 8.230 nan 0.000 0.431 747 T N -0.820 113.724 114.554 -0.016 0.000 2.840 747 T HA 0.225 4.551 4.350 -0.040 0.000 0.317 747 T C -0.414 174.272 174.700 -0.023 0.000 1.401 747 T CA -0.519 61.567 62.100 -0.023 0.000 1.028 747 T CB 1.894 70.749 68.868 -0.021 0.000 1.317 747 T HN 0.434 nan 8.240 nan 0.000 0.495 748 D N 1.471 121.850 120.400 -0.033 0.000 2.395 748 D HA 0.185 4.801 4.640 -0.040 0.000 0.213 748 D C -0.391 175.892 176.300 -0.029 0.000 1.110 748 D CA -0.050 53.931 54.000 -0.031 0.000 0.835 748 D CB 0.410 41.185 40.800 -0.042 0.000 0.965 748 D HN 0.513 nan 8.370 nan 0.000 0.505 749 D N 0.519 120.902 120.400 -0.029 0.000 2.443 749 D HA -0.022 4.594 4.640 -0.040 0.000 0.239 749 D C 0.102 176.411 176.300 0.014 0.000 1.136 749 D CA 0.040 54.026 54.000 -0.024 0.000 0.879 749 D CB 1.497 42.276 40.800 -0.036 0.000 1.195 749 D HN -0.212 nan 8.370 nan 0.000 0.443 750 V N 2.764 122.701 119.914 0.038 0.000 2.599 750 V HA 0.029 4.125 4.120 -0.040 0.000 0.300 750 V C 0.369 176.556 176.094 0.156 0.000 1.034 750 V CA 0.168 62.523 62.300 0.091 0.000 1.115 750 V CB 1.114 33.015 31.823 0.131 0.000 0.934 750 V HN 0.610 nan 8.190 nan 0.000 0.485 751 S N 5.246 120.989 115.700 0.071 0.000 2.585 751 S HA 0.102 4.547 4.470 -0.040 0.000 0.273 751 S C 0.889 175.371 174.600 -0.198 0.000 1.339 751 S CA 0.030 58.227 58.200 -0.004 0.000 1.028 751 S CB 1.037 64.220 63.200 -0.029 0.000 0.906 751 S HN 0.895 nan 8.310 nan 0.000 0.528 752 L N 3.423 124.310 121.223 -0.559 0.000 2.043 752 L HA -0.115 4.201 4.340 -0.040 0.000 0.212 752 L C 2.585 179.232 176.870 -0.372 0.000 1.075 752 L CA 2.170 56.399 54.840 -1.018 0.000 0.752 752 L CB -1.120 40.420 42.059 -0.865 0.000 0.891 752 L HN 0.927 nan 8.230 nan 0.000 0.432 753 Q N -0.240 119.439 119.800 -0.202 0.000 2.030 753 Q HA -0.266 4.050 4.340 -0.040 0.000 0.204 753 Q C 2.036 178.007 176.000 -0.048 0.000 0.986 753 Q CA 2.279 58.026 55.803 -0.093 0.000 0.843 753 Q CB -0.266 28.435 28.738 -0.061 0.000 0.904 753 Q HN 0.608 nan 8.270 nan 0.000 0.420 754 N N -0.107 118.576 118.700 -0.027 0.000 2.289 754 N HA -0.125 4.591 4.740 -0.040 0.000 0.184 754 N C 1.309 176.853 175.510 0.058 0.000 1.016 754 N CA 0.933 53.991 53.050 0.014 0.000 0.872 754 N CB -0.400 38.102 38.487 0.025 0.000 0.973 754 N HN 0.239 nan 8.380 nan 0.000 0.433 755 F N 0.740 120.625 119.950 -0.109 0.000 2.113 755 F HA -0.069 4.433 4.527 -0.041 0.000 0.297 755 F C 2.018 177.782 175.800 -0.061 0.000 1.103 755 F CA 1.133 59.092 58.000 -0.068 0.000 1.248 755 F CB -0.068 38.869 39.000 -0.104 0.000 0.999 755 F HN -0.040 nan 8.300 nan 0.000 0.475 756 M N -0.248 119.359 119.600 0.010 0.000 2.159 756 M HA -0.147 4.309 4.480 -0.040 0.000 0.263 756 M C 2.092 178.289 176.300 -0.171 0.000 1.063 756 M CA 1.603 56.852 55.300 -0.084 0.000 1.110 756 M CB -1.803 30.789 32.600 -0.013 0.000 1.374 756 M HN 0.102 nan 8.290 nan 0.000 0.411 757 T N -0.839 113.647 114.554 -0.112 0.000 2.812 757 T HA -0.144 4.182 4.350 -0.040 0.000 0.264 757 T C 1.831 176.430 174.700 -0.168 0.000 1.042 757 T CA 1.206 63.231 62.100 -0.125 0.000 1.140 757 T CB -0.389 68.441 68.868 -0.064 0.000 0.870 757 T HN 0.411 nan 8.240 nan 0.000 0.445 758 H N 0.989 119.926 119.070 -0.221 0.000 2.423 758 H HA -0.002 4.529 4.556 -0.041 0.000 0.297 758 H C 2.323 177.454 175.328 -0.329 0.000 1.075 758 H CA 1.156 57.062 56.048 -0.237 0.000 1.342 758 H CB -0.367 29.271 29.762 -0.206 0.000 1.395 758 H HN 0.263 nan 8.280 nan 0.000 0.530 759 L N 1.482 122.515 121.223 -0.316 0.000 1.989 759 L HA -0.207 4.108 4.340 -0.040 0.000 0.211 759 L C 2.475 179.009 176.870 -0.560 0.000 1.071 759 L CA 1.862 56.448 54.840 -0.423 0.000 0.749 759 L CB -0.783 40.998 42.059 -0.463 0.000 0.890 759 L HN 0.242 nan 8.230 nan 0.000 0.431 760 Q N -0.856 118.533 119.800 -0.684 0.000 2.135 760 Q HA -0.257 4.058 4.340 -0.040 0.000 0.204 760 Q C 2.159 177.852 176.000 -0.512 0.000 0.981 760 Q CA 2.072 57.373 55.803 -0.836 0.000 0.856 760 Q CB -0.249 28.091 28.738 -0.663 0.000 0.902 760 Q HN 0.715 nan 8.270 nan 0.000 0.425 761 Q N -0.369 119.178 119.800 -0.421 0.000 2.230 761 Q HA -0.066 4.250 4.340 -0.040 0.000 0.202 761 Q C 2.038 177.828 176.000 -0.350 0.000 0.963 761 Q CA 1.064 56.664 55.803 -0.337 0.000 0.866 761 Q CB 0.220 28.770 28.738 -0.314 0.000 0.931 761 Q HN 0.215 nan 8.270 nan 0.000 0.452 762 V N 0.709 120.368 119.914 -0.425 0.000 2.649 762 V HA -0.090 4.006 4.120 -0.040 0.000 0.248 762 V C 2.210 178.127 176.094 -0.294 0.000 1.054 762 V CA 1.373 63.471 62.300 -0.337 0.000 1.073 762 V CB -0.572 31.050 31.823 -0.335 0.000 0.699 762 V HN 0.322 nan 8.190 nan 0.000 0.463 763 A N 0.961 123.561 122.820 -0.367 0.000 1.902 763 A HA -0.147 4.149 4.320 -0.040 0.000 0.217 763 A C 2.301 179.504 177.584 -0.634 0.000 1.181 763 A CA 2.174 53.971 52.037 -0.400 0.000 0.623 763 A CB -0.633 18.145 19.000 -0.370 0.000 0.818 763 A HN 0.641 nan 8.150 nan 0.000 0.443 764 V N -1.105 118.457 119.914 -0.587 0.000 3.129 764 V HA 0.026 4.122 4.120 -0.040 0.000 0.259 764 V C 1.446 177.412 176.094 -0.213 0.000 1.116 764 V CA 0.626 62.616 62.300 -0.517 0.000 1.127 764 V CB -1.825 29.847 31.823 -0.252 0.000 0.742 764 V HN 0.654 nan 8.190 nan 0.000 0.474 765 S N 0.000 115.583 115.700 -0.195 0.000 2.498 765 S HA 0.000 4.446 4.470 -0.040 0.000 0.327 765 S CA 0.000 58.133 58.200 -0.111 0.000 1.107 765 S CB 0.000 63.130 63.200 -0.116 0.000 0.593 765 S HN 0.000 nan 8.310 nan 0.000 0.517