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 2r8p_1_A DATA FIRST_RESID 2 DATA SEQUENCE SSRKELANAI RALSMDAVQK AKSGHPGAPM GMADIAEVLW RDFLKHNPQN DATA SEQUENCE PSWADRDRFV LSNGHGSMLI YSLLHLTGYD LPMEELKNFR QLHSKTPGHP DATA SEQUENCE EVGYTAGVET TTGPLGQGIA NAVGMAIAEK TLAAQFNRPG HDIVDHYTYA DATA SEQUENCE FMGDGCMMEG ISHEVCSLAG TLKLGKLIAF YDDNGISIDG HVEGWFTDDT DATA SEQUENCE AMRFEAYGWH VIRDIDGHDA ASIKRAVEEA RAVTDKPSLL MCKTIIGFGS DATA SEQUENCE PNKAGTHDSH GAPLGDAEIA LTREQLGWKY APFEIPSEIY AQWDAKEAGQ DATA SEQUENCE AKESAWNEKF AAYAKAYPQE AAEFTRRMKG EMPSDFDAKA KEFIAKLQAN DATA SEQUENCE PAKIASRKAS QNAIEAFGPL LPEFLGGSAD LAPSNLTLWS GSKAINEDAA DATA SEQUENCE GNYIHYGVRE FGMTAIANGI SLHGGFLPYT STFLMFVEYA RNAVRMAALM DATA SEQUENCE KQRQVMVYTH DSIGLGEDGP THQPVEQVAS LRVTPNMSTW RPCDQVESAV DATA SEQUENCE AWKYGVERQD GPTALILSRQ NLAQQERTEE QLANIARGGY VLKDCAGQPE DATA SEQUENCE LIFIATGSEV ELAVAAYEKL TAEGVKARVV SMPSTDAFDK QDAAYRESVL DATA SEQUENCE PKAVTARVAV EAGIADYWYK YVGLNGAIVG MTTFGESAPA ELLFEEFGFT DATA SEQUENCE VDNVVAKAKE LL 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 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.611 174.600 0.018 0.000 1.055 2 S CA 0.000 58.220 58.200 0.033 0.000 1.107 2 S CB 0.000 63.236 63.200 0.061 0.000 0.593 3 S N 0.950 116.672 115.700 0.037 0.000 2.593 3 S HA 0.317 4.780 4.470 -0.011 0.000 0.269 3 S C 1.051 175.662 174.600 0.017 0.000 1.334 3 S CA -0.536 57.681 58.200 0.027 0.000 1.015 3 S CB 0.444 63.671 63.200 0.045 0.000 0.912 3 S HN 0.721 nan 8.310 nan 0.000 0.541 4 R N 1.321 121.818 120.500 -0.005 0.000 2.096 4 R HA -0.080 4.253 4.340 -0.011 0.000 0.235 4 R C 2.170 178.479 176.300 0.015 0.000 1.127 4 R CA 1.587 57.670 56.100 -0.028 0.000 0.968 4 R CB -0.377 29.901 30.300 -0.036 0.000 0.861 4 R HN 0.696 nan 8.270 nan 0.000 0.440 5 K N 0.520 120.946 120.400 0.044 0.000 2.057 5 K HA -0.189 4.124 4.320 -0.011 0.000 0.207 5 K C 2.044 178.721 176.600 0.129 0.000 1.049 5 K CA 1.381 57.711 56.287 0.071 0.000 0.931 5 K CB -0.045 32.503 32.500 0.080 0.000 0.714 5 K HN 0.061 nan 8.250 nan 0.000 0.440 6 E N 1.507 121.801 120.200 0.158 0.000 2.077 6 E HA -0.140 4.203 4.350 -0.011 0.000 0.193 6 E C 1.846 178.635 176.600 0.316 0.000 0.989 6 E CA 1.026 57.588 56.400 0.270 0.000 0.800 6 E CB -0.152 29.689 29.700 0.235 0.000 0.746 6 E HN 0.184 nan 8.360 nan 0.000 0.452 7 L N -0.130 121.217 121.223 0.208 0.000 2.046 7 L HA -0.155 4.178 4.340 -0.011 0.000 0.208 7 L C 2.551 179.673 176.870 0.419 0.000 1.077 7 L CA 1.181 56.184 54.840 0.272 0.000 0.747 7 L CB -0.620 41.371 42.059 -0.114 0.000 0.896 7 L HN 0.239 nan 8.230 nan 0.000 0.432 8 A N 0.097 123.054 122.820 0.228 0.000 1.933 8 A HA -0.194 4.119 4.320 -0.011 0.000 0.218 8 A C 1.979 179.595 177.584 0.054 0.000 1.175 8 A CA 1.729 53.874 52.037 0.180 0.000 0.628 8 A CB -0.541 18.501 19.000 0.071 0.000 0.814 8 A HN 0.426 nan 8.150 nan 0.000 0.444 9 N N 0.573 119.296 118.700 0.039 0.000 2.364 9 N HA -0.075 4.658 4.740 -0.011 0.000 0.183 9 N C 1.722 176.878 175.510 -0.591 0.000 1.022 9 N CA 1.259 54.221 53.050 -0.147 0.000 0.883 9 N CB -0.497 38.023 38.487 0.055 0.000 0.965 9 N HN 0.494 nan 8.380 nan 0.000 0.438 10 A N 0.970 123.544 122.820 -0.410 0.000 1.933 10 A HA -0.082 4.231 4.320 -0.011 0.000 0.218 10 A C 2.261 179.560 177.584 -0.475 0.000 1.175 10 A CA 0.867 52.570 52.037 -0.557 0.000 0.628 10 A CB -0.580 18.399 19.000 -0.036 0.000 0.814 10 A HN 0.226 nan 8.150 nan 0.000 0.444 11 I N -0.806 119.566 120.570 -0.331 0.000 2.179 11 I HA -0.284 3.879 4.170 -0.011 0.000 0.242 11 I C 2.762 178.690 176.117 -0.314 0.000 1.088 11 I CA 1.407 62.512 61.300 -0.325 0.000 1.357 11 I CB -0.369 37.480 38.000 -0.253 0.000 1.051 11 I HN 0.298 nan 8.210 nan 0.000 0.409 12 R N 0.836 121.154 120.500 -0.304 0.000 2.083 12 R HA -0.161 4.172 4.340 -0.011 0.000 0.237 12 R C 2.458 178.538 176.300 -0.366 0.000 1.137 12 R CA 1.614 57.551 56.100 -0.271 0.000 0.951 12 R CB -0.585 29.598 30.300 -0.196 0.000 0.851 12 R HN 0.385 nan 8.270 nan 0.000 0.434 13 A N 1.473 123.932 122.820 -0.602 0.000 1.855 13 A HA -0.112 4.201 4.320 -0.011 0.000 0.215 13 A C 2.260 179.594 177.584 -0.417 0.000 1.191 13 A CA 1.080 52.746 52.037 -0.618 0.000 0.613 13 A CB -0.637 17.692 19.000 -1.118 0.000 0.829 13 A HN 0.161 nan 8.150 nan 0.000 0.442 14 L N -0.229 120.763 121.223 -0.384 0.000 2.043 14 L HA -0.222 4.111 4.340 -0.011 0.000 0.212 14 L C 2.884 179.601 176.870 -0.254 0.000 1.075 14 L CA 1.632 56.303 54.840 -0.282 0.000 0.752 14 L CB -0.485 41.440 42.059 -0.222 0.000 0.891 14 L HN 0.353 nan 8.230 nan 0.000 0.432 15 S N 0.118 115.659 115.700 -0.265 0.000 2.345 15 S HA -0.170 4.293 4.470 -0.011 0.000 0.219 15 S C 1.950 176.428 174.600 -0.204 0.000 1.031 15 S CA 1.756 59.806 58.200 -0.249 0.000 0.984 15 S CB -0.251 62.815 63.200 -0.223 0.000 0.874 15 S HN 0.502 nan 8.310 nan 0.000 0.451 16 M N 1.369 120.857 119.600 -0.186 0.000 2.159 16 M HA -0.086 4.388 4.480 -0.011 0.000 0.263 16 M C 0.998 177.223 176.300 -0.126 0.000 1.063 16 M CA 1.700 56.919 55.300 -0.134 0.000 1.110 16 M CB -0.695 31.831 32.600 -0.124 0.000 1.374 16 M HN -0.038 nan 8.290 nan 0.000 0.411 17 D N 1.418 121.696 120.400 -0.204 0.000 2.117 17 D HA 0.006 4.639 4.640 -0.011 0.000 0.198 17 D C 2.346 178.616 176.300 -0.051 0.000 0.982 17 D CA 1.865 55.714 54.000 -0.251 0.000 0.828 17 D CB -0.232 40.191 40.800 -0.628 0.000 0.967 17 D HN 0.544 nan 8.370 nan 0.000 0.464 18 A N 0.758 123.581 122.820 0.004 0.000 1.902 18 A HA -0.121 4.192 4.320 -0.011 0.000 0.217 18 A C 2.538 180.246 177.584 0.208 0.000 1.181 18 A CA 1.095 53.257 52.037 0.208 0.000 0.623 18 A CB -0.762 18.239 19.000 0.001 0.000 0.818 18 A HN 0.128 nan 8.150 nan 0.000 0.443 19 V N -0.205 119.755 119.914 0.076 0.000 2.287 19 V HA -0.302 3.812 4.120 -0.011 0.000 0.248 19 V C 2.766 178.952 176.094 0.154 0.000 1.053 19 V CA 2.439 64.854 62.300 0.192 0.000 1.027 19 V CB -0.737 31.135 31.823 0.081 0.000 0.646 19 V HN 0.680 nan 8.190 nan 0.000 0.447 20 Q N 0.433 120.286 119.800 0.088 0.000 2.084 20 Q HA -0.223 4.111 4.340 -0.011 0.000 0.202 20 Q C 2.248 178.314 176.000 0.111 0.000 0.978 20 Q CA 2.073 57.919 55.803 0.073 0.000 0.844 20 Q CB -0.404 28.354 28.738 0.033 0.000 0.898 20 Q HN 0.598 nan 8.270 nan 0.000 0.426 21 K N -1.023 119.483 120.400 0.177 0.000 2.097 21 K HA -0.088 4.225 4.320 -0.011 0.000 0.206 21 K C 1.700 178.383 176.600 0.138 0.000 1.049 21 K CA 1.222 57.622 56.287 0.187 0.000 0.933 21 K CB -0.239 32.437 32.500 0.293 0.000 0.717 21 K HN 0.254 nan 8.250 nan 0.000 0.442 22 A N 0.937 123.862 122.820 0.175 0.000 2.119 22 A HA -0.045 4.268 4.320 -0.011 0.000 0.217 22 A C 0.373 177.993 177.584 0.060 0.000 1.153 22 A CA 0.991 53.096 52.037 0.114 0.000 0.692 22 A CB -0.225 18.870 19.000 0.158 0.000 0.799 22 A HN 0.442 nan 8.150 nan 0.000 0.458 23 K N -0.840 119.603 120.400 0.072 0.000 3.016 23 K HA -0.163 4.151 4.320 -0.011 0.000 0.262 23 K C -0.099 176.512 176.600 0.018 0.000 1.043 23 K CA 0.844 57.154 56.287 0.038 0.000 0.761 23 K CB -1.992 30.522 32.500 0.023 0.000 1.230 23 K HN 0.483 nan 8.250 nan 0.000 0.485 24 S N -1.494 114.228 115.700 0.036 0.000 2.542 24 S HA 0.691 5.155 4.470 -0.011 0.000 0.276 24 S C -0.459 174.176 174.600 0.057 0.000 1.148 24 S CA 0.327 58.523 58.200 -0.006 0.000 0.886 24 S CB 2.047 65.214 63.200 -0.055 0.000 1.109 24 S HN 0.947 nan 8.310 nan 0.000 0.458 25 G N 2.824 111.607 108.800 -0.029 0.000 2.331 25 G HA2 0.169 4.123 3.960 -0.011 0.000 0.479 25 G HA3 0.169 4.123 3.960 -0.011 0.000 0.479 25 G C -1.947 172.853 174.900 -0.168 0.000 1.262 25 G CA -0.745 44.401 45.100 0.077 0.000 1.029 25 G HN 0.991 nan 8.290 nan 0.000 0.487 26 H N 1.240 120.350 119.070 0.067 0.000 2.866 26 H HA 0.508 5.056 4.556 -0.012 0.000 0.287 26 H C -1.660 173.644 175.328 -0.041 0.000 1.106 26 H CA -1.206 54.815 56.048 -0.045 0.000 1.396 26 H CB 2.038 31.764 29.762 -0.060 0.000 1.469 26 H HN 0.342 nan 8.280 nan 0.000 0.500 27 P HA 0.007 nan 4.420 nan 0.000 0.235 27 P C 1.603 178.913 177.300 0.016 0.000 1.177 27 P CA 0.611 63.708 63.100 -0.005 0.000 0.785 27 P CB 0.517 32.202 31.700 -0.026 0.000 0.885 28 G N 1.332 110.165 108.800 0.054 0.000 2.453 28 G HA2 -0.245 3.708 3.960 -0.011 0.000 0.215 28 G HA3 -0.245 3.708 3.960 -0.011 0.000 0.215 28 G C 1.781 176.739 174.900 0.096 0.000 1.201 28 G CA 1.235 46.387 45.100 0.088 0.000 0.784 28 G HN 0.324 nan 8.290 nan 0.000 0.545 29 A N 1.489 124.379 122.820 0.117 0.000 1.898 29 A HA 0.109 4.423 4.320 -0.011 0.000 0.216 29 A C 0.787 178.380 177.584 0.014 0.000 1.181 29 A CA 1.953 54.038 52.037 0.079 0.000 0.620 29 A CB -1.131 17.913 19.000 0.073 0.000 0.819 29 A HN 0.383 nan 8.150 nan 0.000 0.442 30 P HA -0.164 nan 4.420 nan 0.000 0.215 30 P C 1.638 178.911 177.300 -0.045 0.000 1.153 30 P CA 1.445 64.510 63.100 -0.060 0.000 0.853 30 P CB -0.184 31.450 31.700 -0.109 0.000 0.788 31 M N -1.537 118.056 119.600 -0.013 0.000 2.175 31 M HA -0.039 4.434 4.480 -0.011 0.000 0.264 31 M C 2.251 178.608 176.300 0.095 0.000 1.063 31 M CA 2.053 57.371 55.300 0.030 0.000 1.119 31 M CB -1.235 31.394 32.600 0.047 0.000 1.377 31 M HN -0.010 nan 8.290 nan 0.000 0.415 32 G N -0.096 108.766 108.800 0.102 0.000 2.421 32 G HA2 -0.111 3.842 3.960 -0.011 0.000 0.217 32 G HA3 -0.111 3.842 3.960 -0.011 0.000 0.217 32 G C 1.446 176.355 174.900 0.015 0.000 1.143 32 G CA 0.388 45.575 45.100 0.146 0.000 0.784 32 G HN 0.375 nan 8.290 nan 0.000 0.541 33 M N 0.667 120.233 119.600 -0.057 0.000 2.428 33 M HA 0.305 4.778 4.480 -0.011 0.000 0.239 33 M C 2.625 178.858 176.300 -0.112 0.000 1.121 33 M CA 0.225 55.428 55.300 -0.163 0.000 1.019 33 M CB 0.571 33.046 32.600 -0.208 0.000 1.485 33 M HN 0.267 nan 8.290 nan 0.000 0.484 34 A N 1.276 124.056 122.820 -0.066 0.000 1.940 34 A HA -0.185 4.128 4.320 -0.011 0.000 0.219 34 A C 1.706 179.277 177.584 -0.021 0.000 1.176 34 A CA 1.835 53.845 52.037 -0.045 0.000 0.631 34 A CB -0.441 18.526 19.000 -0.054 0.000 0.814 34 A HN 0.407 nan 8.150 nan 0.000 0.446 35 D N -0.060 120.300 120.400 -0.067 0.000 2.149 35 D HA -0.079 4.554 4.640 -0.011 0.000 0.201 35 D C 1.894 178.166 176.300 -0.046 0.000 0.972 35 D CA 1.173 55.139 54.000 -0.055 0.000 0.835 35 D CB -0.307 40.438 40.800 -0.092 0.000 0.966 35 D HN 0.550 nan 8.370 nan 0.000 0.476 36 I N 1.612 122.115 120.570 -0.111 0.000 2.226 36 I HA -0.227 3.936 4.170 -0.011 0.000 0.245 36 I C 2.624 178.738 176.117 -0.004 0.000 1.100 36 I CA 0.997 62.221 61.300 -0.127 0.000 1.374 36 I CB -0.251 37.539 38.000 -0.350 0.000 1.057 36 I HN -0.095 nan 8.210 nan 0.000 0.413 37 A N 0.186 123.055 122.820 0.082 0.000 1.933 37 A HA -0.238 4.075 4.320 -0.011 0.000 0.218 37 A C 2.371 180.071 177.584 0.194 0.000 1.175 37 A CA 1.671 53.817 52.037 0.182 0.000 0.628 37 A CB -0.543 18.480 19.000 0.038 0.000 0.814 37 A HN 0.427 nan 8.150 nan 0.000 0.444 38 E N 0.313 120.623 120.200 0.183 0.000 2.051 38 E HA -0.139 4.204 4.350 -0.011 0.000 0.192 38 E C 2.093 178.722 176.600 0.050 0.000 0.991 38 E CA 1.725 58.210 56.400 0.142 0.000 0.799 38 E CB -0.289 29.446 29.700 0.059 0.000 0.748 38 E HN 0.319 nan 8.360 nan 0.000 0.449 39 V N 1.665 121.627 119.914 0.079 0.000 2.261 39 V HA -0.261 3.852 4.120 -0.011 0.000 0.246 39 V C 2.696 178.932 176.094 0.238 0.000 1.047 39 V CA 1.699 64.079 62.300 0.132 0.000 1.015 39 V CB -0.685 31.236 31.823 0.163 0.000 0.642 39 V HN 0.258 nan 8.190 nan 0.000 0.446 40 L N -0.708 120.639 121.223 0.205 0.000 1.989 40 L HA -0.161 4.173 4.340 -0.011 0.000 0.211 40 L C 2.075 179.017 176.870 0.121 0.000 1.071 40 L CA 2.235 57.161 54.840 0.143 0.000 0.749 40 L CB -0.793 41.239 42.059 -0.046 0.000 0.890 40 L HN 0.394 nan 8.230 nan 0.000 0.431 41 W N 0.121 121.376 121.300 -0.076 0.000 2.409 41 W HA -0.026 4.627 4.660 -0.012 0.000 0.299 41 W C 2.862 179.409 176.519 0.046 0.000 1.203 41 W CA 1.332 58.648 57.345 -0.048 0.000 1.298 41 W CB -0.343 29.124 29.460 0.012 0.000 1.127 41 W HN 0.049 nan 8.180 nan 0.000 0.528 42 R N -0.551 120.057 120.500 0.180 0.000 2.119 42 R HA -0.068 4.266 4.340 -0.011 0.000 0.222 42 R C 1.072 177.342 176.300 -0.050 0.000 1.088 42 R CA 1.437 57.541 56.100 0.007 0.000 0.984 42 R CB -0.257 29.903 30.300 -0.233 0.000 0.884 42 R HN 0.074 nan 8.270 nan 0.000 0.447 43 D N -1.404 118.945 120.400 -0.086 0.000 2.380 43 D HA 0.060 4.694 4.640 -0.011 0.000 0.212 43 D C 0.830 176.775 176.300 -0.592 0.000 1.021 43 D CA 0.794 54.579 54.000 -0.359 0.000 0.884 43 D CB 0.387 40.886 40.800 -0.502 0.000 1.001 43 D HN 0.069 nan 8.370 nan 0.000 0.506 44 F N -0.383 119.545 119.950 -0.037 0.000 2.581 44 F HA 0.266 4.787 4.527 -0.011 0.000 0.278 44 F C 0.474 176.249 175.800 -0.042 0.000 1.000 44 F CA -0.595 57.374 58.000 -0.051 0.000 1.230 44 F CB 0.094 39.029 39.000 -0.110 0.000 1.008 44 F HN -0.217 nan 8.300 nan 0.000 0.695 45 L N 2.746 123.981 121.223 0.020 0.000 2.584 45 L HA 0.032 4.365 4.340 -0.011 0.000 0.272 45 L C 0.473 177.431 176.870 0.147 0.000 1.195 45 L CA 0.299 55.090 54.840 -0.080 0.000 0.920 45 L CB 0.040 41.719 42.059 -0.634 0.000 1.173 45 L HN 0.015 nan 8.230 nan 0.000 0.489 46 K N 5.382 125.903 120.400 0.202 0.000 2.263 46 K HA 0.338 4.651 4.320 -0.011 0.000 0.282 46 K C -1.116 175.673 176.600 0.314 0.000 1.089 46 K CA -0.317 56.129 56.287 0.266 0.000 0.907 46 K CB 0.056 32.689 32.500 0.222 0.000 1.148 46 K HN 0.944 nan 8.250 nan 0.000 0.470 47 H N 0.069 119.267 119.070 0.214 0.000 3.042 47 H HA 0.369 4.919 4.556 -0.011 0.000 0.346 47 H C -1.589 173.895 175.328 0.261 0.000 1.294 47 H CA -1.282 54.917 56.048 0.251 0.000 1.141 47 H CB 1.120 30.938 29.762 0.093 0.000 1.872 47 H HN 0.276 nan 8.280 nan 0.000 0.541 48 N N 2.017 120.815 118.700 0.164 0.000 2.524 48 N HA 0.291 5.024 4.740 -0.011 0.000 0.261 48 N C -2.234 173.112 175.510 -0.272 0.000 0.998 48 N CA -2.787 50.178 53.050 -0.140 0.000 0.915 48 N CB 1.845 40.239 38.487 -0.155 0.000 1.187 48 N HN 0.412 nan 8.380 nan 0.000 0.507 49 P HA -0.124 nan 4.420 nan 0.000 0.219 49 P C 0.633 177.600 177.300 -0.556 0.000 1.146 49 P CA 1.326 63.761 63.100 -1.108 0.000 0.808 49 P CB 0.375 31.576 31.700 -0.831 0.000 0.779 50 Q N -1.910 117.707 119.800 -0.306 0.000 2.435 50 Q HA -0.021 4.312 4.340 -0.011 0.000 0.207 50 Q C 0.407 176.343 176.000 -0.107 0.000 0.956 50 Q CA 0.552 56.251 55.803 -0.174 0.000 0.917 50 Q CB -0.202 28.448 28.738 -0.146 0.000 0.997 50 Q HN 0.157 nan 8.270 nan 0.000 0.497 51 N N -0.194 118.452 118.700 -0.090 0.000 2.685 51 N HA 0.166 4.899 4.740 -0.011 0.000 0.252 51 N C -2.537 173.026 175.510 0.089 0.000 1.261 51 N CA -1.766 51.283 53.050 -0.001 0.000 0.768 51 N CB 1.309 39.788 38.487 -0.013 0.000 1.304 51 N HN -0.250 nan 8.380 nan 0.000 0.536 52 P HA 0.027 nan 4.420 nan 0.000 0.228 52 P C 0.283 177.665 177.300 0.137 0.000 1.151 52 P CA 0.862 64.105 63.100 0.238 0.000 0.770 52 P CB 0.399 32.289 31.700 0.316 0.000 0.786 53 S N -2.598 113.156 115.700 0.090 0.000 2.577 53 S HA 0.046 4.510 4.470 -0.011 0.000 0.219 53 S C 0.072 174.681 174.600 0.015 0.000 0.962 53 S CA -0.655 57.559 58.200 0.023 0.000 0.921 53 S CB -0.514 62.691 63.200 0.009 0.000 0.789 53 S HN 0.277 nan 8.310 nan 0.000 0.497 54 W N 3.196 124.399 121.300 -0.161 0.000 2.443 54 W HA 0.202 4.856 4.660 -0.011 0.000 0.335 54 W C 1.060 177.338 176.519 -0.403 0.000 1.382 54 W CA -0.740 56.448 57.345 -0.262 0.000 1.305 54 W CB -0.155 29.165 29.460 -0.234 0.000 1.283 54 W HN 0.190 nan 8.180 nan 0.000 0.567 55 A N 3.990 126.570 122.820 -0.400 0.000 1.978 55 A HA -0.248 4.065 4.320 -0.011 0.000 0.220 55 A C 1.595 178.649 177.584 -0.883 0.000 1.170 55 A CA 2.133 53.832 52.037 -0.564 0.000 0.636 55 A CB -0.435 18.375 19.000 -0.317 0.000 0.810 55 A HN 0.651 nan 8.150 nan 0.000 0.448 56 D N -1.068 118.382 120.400 -1.583 0.000 2.368 56 D HA 0.076 4.709 4.640 -0.011 0.000 0.218 56 D C 0.738 176.032 176.300 -1.676 0.000 1.112 56 D CA -0.350 52.805 54.000 -1.408 0.000 0.834 56 D CB -0.062 39.941 40.800 -1.327 0.000 0.953 56 D HN 0.595 nan 8.370 nan 0.000 0.505 57 R N 0.252 119.665 120.500 -1.812 0.000 2.734 57 R HA 0.130 4.463 4.340 -0.011 0.000 0.266 57 R C -0.367 175.506 176.300 -0.712 0.000 1.044 57 R CA -0.307 55.103 56.100 -1.150 0.000 1.128 57 R CB 0.373 30.345 30.300 -0.547 0.000 1.010 57 R HN -0.136 nan 8.270 nan 0.000 0.461 58 D N 1.404 121.633 120.400 -0.284 0.000 2.400 58 D HA 0.063 4.697 4.640 -0.011 0.000 0.238 58 D C -0.256 176.003 176.300 -0.069 0.000 1.157 58 D CA 0.259 54.237 54.000 -0.036 0.000 0.889 58 D CB 0.575 41.484 40.800 0.182 0.000 1.199 58 D HN 0.301 nan 8.370 nan 0.000 0.436 59 R N 0.708 121.226 120.500 0.029 0.000 2.393 59 R HA 0.432 4.765 4.340 -0.011 0.000 0.310 59 R C -0.826 175.578 176.300 0.173 0.000 0.968 59 R CA -0.688 55.444 56.100 0.052 0.000 0.867 59 R CB 0.656 30.987 30.300 0.053 0.000 1.124 59 R HN 0.318 nan 8.270 nan 0.000 0.450 60 F N 3.076 123.026 119.950 -0.001 0.000 2.469 60 F HA 0.663 5.184 4.527 -0.011 0.000 0.332 60 F C -1.007 174.813 175.800 0.034 0.000 1.103 60 F CA -0.875 57.141 58.000 0.027 0.000 0.979 60 F CB 1.297 40.267 39.000 -0.051 0.000 1.137 60 F HN 0.185 nan 8.300 nan 0.000 0.463 61 V N 7.177 126.592 119.914 -0.833 0.000 2.577 61 V HA 0.309 4.422 4.120 -0.011 0.000 0.303 61 V C -0.991 174.589 176.094 -0.857 0.000 1.042 61 V CA -0.794 61.139 62.300 -0.613 0.000 0.872 61 V CB 1.618 33.305 31.823 -0.226 0.000 0.998 61 V HN 0.696 nan 8.190 nan 0.000 0.423 62 L N 4.093 124.984 121.223 -0.554 0.000 2.328 62 L HA 0.393 4.726 4.340 -0.011 0.000 0.280 62 L C 1.398 178.202 176.870 -0.110 0.000 1.111 62 L CA 0.852 55.524 54.840 -0.280 0.000 0.909 62 L CB 1.134 43.131 42.059 -0.104 0.000 1.277 62 L HN 0.736 nan 8.230 nan 0.000 0.433 63 S N 2.658 118.331 115.700 -0.044 0.000 2.406 63 S HA -0.055 4.408 4.470 -0.011 0.000 0.228 63 S C 1.014 175.634 174.600 0.033 0.000 1.020 63 S CA 0.869 59.074 58.200 0.007 0.000 0.965 63 S CB -0.286 62.940 63.200 0.044 0.000 0.798 63 S HN 0.868 nan 8.310 nan 0.000 0.488 64 N N 1.486 120.202 118.700 0.026 0.000 3.178 64 N HA 0.195 4.928 4.740 -0.011 0.000 0.300 64 N C 0.753 176.071 175.510 -0.319 0.000 1.242 64 N CA 0.265 53.273 53.050 -0.071 0.000 1.192 64 N CB -0.301 38.164 38.487 -0.036 0.000 1.463 64 N HN 0.254 nan 8.380 nan 0.000 0.539 65 G N 0.629 109.374 108.800 -0.093 0.000 2.559 65 G HA2 -0.266 3.687 3.960 -0.011 0.000 0.216 65 G HA3 -0.266 3.687 3.960 -0.011 0.000 0.216 65 G C 1.222 176.106 174.900 -0.028 0.000 1.126 65 G CA 0.417 45.495 45.100 -0.037 0.000 0.778 65 G HN 0.745 nan 8.290 nan 0.000 0.543 66 H N 0.216 119.306 119.070 0.032 0.000 2.457 66 H HA -0.039 4.511 4.556 -0.009 0.000 0.297 66 H C 2.082 177.216 175.328 -0.322 0.000 1.092 66 H CA 0.892 56.723 56.048 -0.361 0.000 1.309 66 H CB -0.845 28.534 29.762 -0.638 0.000 1.382 66 H HN 0.189 nan 8.280 nan 0.000 0.535 67 G N 1.542 110.048 108.800 -0.489 0.000 3.397 67 G HA2 0.031 3.984 3.960 -0.011 0.000 0.248 67 G HA3 0.031 3.984 3.960 -0.011 0.000 0.248 67 G C 1.302 176.063 174.900 -0.231 0.000 1.284 67 G CA 0.312 45.263 45.100 -0.248 0.000 1.570 67 G HN 0.588 nan 8.290 nan 0.000 0.587 68 S N 0.260 115.820 115.700 -0.234 0.000 2.400 68 S HA -0.162 4.301 4.470 -0.011 0.000 0.232 68 S C 2.233 176.471 174.600 -0.603 0.000 1.025 68 S CA 0.658 58.614 58.200 -0.406 0.000 0.993 68 S CB -0.196 62.864 63.200 -0.233 0.000 0.808 68 S HN 0.231 nan 8.310 nan 0.000 0.478 69 M N 0.923 120.282 119.600 -0.401 0.000 2.358 69 M HA 0.107 4.580 4.480 -0.011 0.000 0.264 69 M C 2.003 178.108 176.300 -0.326 0.000 1.064 69 M CA 0.704 55.762 55.300 -0.403 0.000 1.093 69 M CB -1.401 30.908 32.600 -0.485 0.000 1.401 69 M HN 0.441 nan 8.290 nan 0.000 0.440 70 L N 0.372 121.416 121.223 -0.297 0.000 1.989 70 L HA -0.151 4.182 4.340 -0.011 0.000 0.211 70 L C 2.201 178.850 176.870 -0.369 0.000 1.071 70 L CA 1.746 56.422 54.840 -0.272 0.000 0.749 70 L CB -0.783 41.187 42.059 -0.148 0.000 0.890 70 L HN 0.251 nan 8.230 nan 0.000 0.431 71 I N -1.909 118.437 120.570 -0.374 0.000 2.353 71 I HA -0.295 3.868 4.170 -0.011 0.000 0.248 71 I C 2.049 177.987 176.117 -0.299 0.000 1.119 71 I CA 0.942 62.012 61.300 -0.384 0.000 1.417 71 I CB -0.099 37.779 38.000 -0.202 0.000 1.078 71 I HN 0.278 nan 8.210 nan 0.000 0.421 72 Y N 0.727 120.911 120.300 -0.193 0.000 2.224 72 Y HA -0.173 4.370 4.550 -0.011 0.000 0.289 72 Y C 2.918 178.701 175.900 -0.195 0.000 1.146 72 Y CA 1.006 59.014 58.100 -0.153 0.000 1.182 72 Y CB -1.397 36.997 38.460 -0.110 0.000 0.983 72 Y HN 0.152 nan 8.280 nan 0.000 0.524 73 S N 0.290 115.905 115.700 -0.142 0.000 2.359 73 S HA -0.174 4.289 4.470 -0.011 0.000 0.224 73 S C 2.199 176.559 174.600 -0.399 0.000 1.035 73 S CA 1.376 59.425 58.200 -0.251 0.000 1.018 73 S CB -0.738 62.256 63.200 -0.343 0.000 0.876 73 S HN 0.348 nan 8.310 nan 0.000 0.448 74 L N 0.960 121.824 121.223 -0.598 0.000 2.017 74 L HA -0.125 4.208 4.340 -0.011 0.000 0.208 74 L C 2.293 178.875 176.870 -0.482 0.000 1.073 74 L CA 1.134 55.450 54.840 -0.872 0.000 0.745 74 L CB -0.602 40.470 42.059 -1.645 0.000 0.894 74 L HN 0.282 nan 8.230 nan 0.000 0.432 75 L N -1.248 119.785 121.223 -0.317 0.000 2.046 75 L HA -0.247 4.086 4.340 -0.011 0.000 0.208 75 L C 2.668 179.640 176.870 0.169 0.000 1.077 75 L CA 1.275 56.069 54.840 -0.076 0.000 0.747 75 L CB -0.703 41.276 42.059 -0.132 0.000 0.896 75 L HN 0.319 nan 8.230 nan 0.000 0.432 76 H N 0.325 119.405 119.070 0.016 0.000 2.299 76 H HA -0.134 4.415 4.556 -0.011 0.000 0.302 76 H C 2.179 177.575 175.328 0.113 0.000 1.078 76 H CA 1.716 57.809 56.048 0.075 0.000 1.323 76 H CB -0.070 29.714 29.762 0.037 0.000 1.381 76 H HN 0.114 nan 8.280 nan 0.000 0.498 77 L N -0.020 121.153 121.223 -0.084 0.000 2.083 77 L HA -0.123 4.210 4.340 -0.011 0.000 0.209 77 L C 2.436 179.373 176.870 0.112 0.000 1.083 77 L CA 1.724 56.481 54.840 -0.138 0.000 0.752 77 L CB -0.536 41.077 42.059 -0.743 0.000 0.899 77 L HN 0.546 nan 8.230 nan 0.000 0.433 78 T N -3.708 110.970 114.554 0.206 0.000 3.148 78 T HA 0.206 4.549 4.350 -0.011 0.000 0.253 78 T C 1.331 176.201 174.700 0.284 0.000 1.134 78 T CA 0.492 62.843 62.100 0.418 0.000 1.051 78 T CB 0.389 69.690 68.868 0.722 0.000 0.959 78 T HN 0.489 nan 8.240 nan 0.000 0.525 79 G N -0.007 108.904 108.800 0.186 0.000 2.138 79 G HA2 -0.186 3.767 3.960 -0.011 0.000 0.193 79 G HA3 -0.186 3.767 3.960 -0.011 0.000 0.193 79 G C -0.149 174.769 174.900 0.030 0.000 0.998 79 G CA -0.402 44.722 45.100 0.041 0.000 0.668 79 G HN 0.547 nan 8.290 nan 0.000 0.516 80 Y N 0.557 120.903 120.300 0.076 0.000 2.335 80 Y HA 0.368 4.911 4.550 -0.011 0.000 0.348 80 Y C 1.155 177.090 175.900 0.058 0.000 1.280 80 Y CA 0.353 58.509 58.100 0.092 0.000 1.504 80 Y CB 0.433 38.983 38.460 0.151 0.000 1.366 80 Y HN 0.105 nan 8.280 nan 0.000 0.621 81 D N 1.940 122.471 120.400 0.219 0.000 2.600 81 D HA 0.150 4.783 4.640 -0.011 0.000 0.226 81 D C -1.449 174.941 176.300 0.151 0.000 1.119 81 D CA 0.202 54.283 54.000 0.134 0.000 1.051 81 D CB -0.844 40.012 40.800 0.093 0.000 1.106 81 D HN 0.310 nan 8.370 nan 0.000 0.491 82 L N 4.020 125.347 121.223 0.173 0.000 2.489 82 L HA 0.445 4.778 4.340 -0.011 0.000 0.257 82 L C -2.622 174.389 176.870 0.236 0.000 1.215 82 L CA -1.729 53.207 54.840 0.160 0.000 0.915 82 L CB 1.598 43.756 42.059 0.165 0.000 1.146 82 L HN 0.009 nan 8.230 nan 0.000 0.494 83 P HA 0.154 nan 4.420 nan 0.000 0.272 83 P C 0.883 178.221 177.300 0.064 0.000 1.240 83 P CA -0.373 62.831 63.100 0.173 0.000 0.791 83 P CB 0.641 32.383 31.700 0.069 0.000 0.978 84 M N 1.062 120.676 119.600 0.023 0.000 2.149 84 M HA -0.183 4.291 4.480 -0.011 0.000 0.261 84 M C 1.514 177.714 176.300 -0.167 0.000 1.064 84 M CA 1.876 57.068 55.300 -0.180 0.000 1.102 84 M CB -1.013 31.566 32.600 -0.035 0.000 1.369 84 M HN 0.248 nan 8.290 nan 0.000 0.408 85 E N 0.191 120.330 120.200 -0.103 0.000 2.160 85 E HA -0.188 4.156 4.350 -0.011 0.000 0.195 85 E C 1.962 178.486 176.600 -0.127 0.000 0.991 85 E CA 1.144 57.468 56.400 -0.125 0.000 0.810 85 E CB -0.358 29.299 29.700 -0.073 0.000 0.742 85 E HN 0.593 nan 8.360 nan 0.000 0.466 86 E N 0.501 120.644 120.200 -0.095 0.000 2.072 86 E HA -0.099 4.244 4.350 -0.011 0.000 0.191 86 E C 2.392 178.925 176.600 -0.111 0.000 0.985 86 E CA 0.433 56.778 56.400 -0.092 0.000 0.801 86 E CB -0.235 29.418 29.700 -0.078 0.000 0.750 86 E HN 0.322 nan 8.360 nan 0.000 0.452 87 L N 0.558 121.698 121.223 -0.139 0.000 2.131 87 L HA -0.150 4.184 4.340 -0.011 0.000 0.210 87 L C 2.241 179.053 176.870 -0.095 0.000 1.092 87 L CA 1.160 55.942 54.840 -0.097 0.000 0.759 87 L CB -0.427 41.571 42.059 -0.101 0.000 0.903 87 L HN 0.037 nan 8.230 nan 0.000 0.435 88 K N 0.058 120.274 120.400 -0.306 0.000 2.504 88 K HA -0.040 4.273 4.320 -0.011 0.000 0.195 88 K C 0.685 177.182 176.600 -0.171 0.000 1.036 88 K CA 0.475 56.481 56.287 -0.468 0.000 0.984 88 K CB 0.029 32.132 32.500 -0.663 0.000 0.788 88 K HN 0.273 nan 8.250 nan 0.000 0.488 89 N N 0.359 119.013 118.700 -0.077 0.000 2.275 89 N HA 0.014 4.747 4.740 -0.011 0.000 0.236 89 N C -0.554 174.985 175.510 0.048 0.000 1.154 89 N CA -0.291 52.746 53.050 -0.021 0.000 0.866 89 N CB 0.087 38.549 38.487 -0.041 0.000 1.093 89 N HN 0.028 nan 8.380 nan 0.000 0.515 90 F N 2.613 122.526 119.950 -0.062 0.000 2.604 90 F HA -0.116 4.404 4.527 -0.012 0.000 0.393 90 F C 1.252 177.057 175.800 0.009 0.000 1.043 90 F CA 0.557 58.549 58.000 -0.015 0.000 1.227 90 F CB 0.214 39.242 39.000 0.046 0.000 1.016 90 F HN 0.208 nan 8.300 nan 0.000 0.556 91 R N 1.020 121.226 120.500 -0.490 0.000 3.951 91 R HA -0.208 4.125 4.340 -0.011 0.000 0.352 91 R C -0.535 175.643 176.300 -0.204 0.000 1.178 91 R CA 0.836 56.656 56.100 -0.467 0.000 0.949 91 R CB -1.377 28.514 30.300 -0.682 0.000 1.452 91 R HN 0.605 nan 8.270 nan 0.000 0.540 92 Q N 0.603 120.332 119.800 -0.118 0.000 2.226 92 Q HA 0.292 4.625 4.340 -0.011 0.000 0.256 92 Q C -0.060 175.896 176.000 -0.073 0.000 0.962 92 Q CA -1.146 54.611 55.803 -0.078 0.000 0.887 92 Q CB 1.014 29.723 28.738 -0.048 0.000 1.282 92 Q HN 0.087 nan 8.270 nan 0.000 0.449 93 L N 3.089 124.250 121.223 -0.104 0.000 2.601 93 L HA -0.102 4.231 4.340 -0.011 0.000 0.277 93 L C 0.169 176.957 176.870 -0.137 0.000 1.219 93 L CA 1.342 56.057 54.840 -0.210 0.000 0.915 93 L CB -0.807 41.097 42.059 -0.259 0.000 1.160 93 L HN 0.750 nan 8.230 nan 0.000 0.494 94 H N 0.615 119.708 119.070 0.039 0.000 3.047 94 H HA -0.189 4.361 4.556 -0.011 0.000 0.263 94 H C 0.815 176.140 175.328 -0.005 0.000 1.168 94 H CA 0.666 56.724 56.048 0.016 0.000 1.152 94 H CB -1.530 28.222 29.762 -0.018 0.000 1.278 94 H HN 0.803 nan 8.280 nan 0.000 0.339 95 S N 0.484 116.237 115.700 0.090 0.000 2.608 95 S HA 0.169 4.632 4.470 -0.011 0.000 0.261 95 S C 1.152 175.791 174.600 0.065 0.000 1.314 95 S CA -0.441 57.785 58.200 0.043 0.000 0.992 95 S CB 1.440 64.643 63.200 0.004 0.000 0.935 95 S HN 0.406 nan 8.310 nan 0.000 0.564 96 K N 0.464 120.866 120.400 0.004 0.000 2.522 96 K HA 0.068 4.382 4.320 -0.011 0.000 0.194 96 K C 0.274 176.802 176.600 -0.119 0.000 1.026 96 K CA 0.515 56.805 56.287 0.005 0.000 1.119 96 K CB -0.245 32.241 32.500 -0.022 0.000 0.856 96 K HN 0.835 nan 8.250 nan 0.000 0.513 97 T N -0.369 114.089 114.554 -0.159 0.000 3.630 97 T HA 0.224 4.568 4.350 -0.011 0.000 0.238 97 T C -2.614 172.105 174.700 0.032 0.000 1.195 97 T CA -1.967 59.876 62.100 -0.428 0.000 1.433 97 T CB 0.605 69.231 68.868 -0.402 0.000 0.940 97 T HN -0.131 nan 8.240 nan 0.000 0.641 98 P HA 0.173 nan 4.420 nan 0.000 0.271 98 P C 1.377 178.761 177.300 0.140 0.000 1.233 98 P CA -0.005 63.155 63.100 0.099 0.000 0.789 98 P CB 0.578 32.312 31.700 0.056 0.000 0.951 99 G N 0.398 109.156 108.800 -0.070 0.000 2.450 99 G HA2 -0.146 3.807 3.960 -0.011 0.000 0.220 99 G HA3 -0.146 3.807 3.960 -0.011 0.000 0.220 99 G C 0.105 174.882 174.900 -0.204 0.000 1.130 99 G CA 0.936 45.924 45.100 -0.187 0.000 0.760 99 G HN 0.621 nan 8.290 nan 0.000 0.557 100 H N -0.398 118.723 119.070 0.085 0.000 2.622 100 H HA 0.465 5.014 4.556 -0.011 0.000 0.363 100 H C -2.482 172.886 175.328 0.067 0.000 1.151 100 H CA -1.908 54.171 56.048 0.052 0.000 1.184 100 H CB 2.016 31.785 29.762 0.012 0.000 1.643 100 H HN -0.060 nan 8.280 nan 0.000 0.531 101 P HA 0.101 nan 4.420 nan 0.000 0.271 101 P C -0.842 176.515 177.300 0.096 0.000 1.216 101 P CA -0.168 63.013 63.100 0.134 0.000 0.776 101 P CB 0.829 32.534 31.700 0.007 0.000 0.881 102 E N 0.794 121.050 120.200 0.092 0.000 2.224 102 E HA 0.326 4.669 4.350 -0.011 0.000 0.265 102 E C -0.861 175.803 176.600 0.107 0.000 0.878 102 E CA -1.168 55.227 56.400 -0.009 0.000 0.759 102 E CB 2.361 31.853 29.700 -0.347 0.000 1.164 102 E HN 0.126 nan 8.360 nan 0.000 0.414 103 V N 3.016 122.989 119.914 0.097 0.000 2.655 103 V HA 0.309 4.423 4.120 -0.011 0.000 0.300 103 V C 1.129 177.334 176.094 0.184 0.000 1.044 103 V CA 2.116 64.493 62.300 0.128 0.000 1.095 103 V CB 0.431 32.309 31.823 0.090 0.000 0.952 103 V HN 1.017 nan 8.190 nan 0.000 0.485 104 G N 5.205 114.117 108.800 0.187 0.000 2.358 104 G HA2 -0.345 3.608 3.960 -0.011 0.000 0.224 104 G HA3 -0.345 3.608 3.960 -0.011 0.000 0.224 104 G C 0.683 175.723 174.900 0.234 0.000 1.073 104 G CA 0.718 45.934 45.100 0.195 0.000 0.635 104 G HN 0.785 nan 8.290 nan 0.000 0.509 105 Y N 2.104 122.451 120.300 0.079 0.000 2.421 105 Y HA 0.306 4.850 4.550 -0.010 0.000 0.292 105 Y C 1.414 177.355 175.900 0.068 0.000 1.136 105 Y CA 1.891 60.036 58.100 0.075 0.000 1.255 105 Y CB 0.427 38.941 38.460 0.090 0.000 0.991 105 Y HN 0.248 nan 8.280 nan 0.000 0.552 106 T N -0.519 114.169 114.554 0.223 0.000 3.295 106 T HA 0.549 4.892 4.350 -0.011 0.000 0.331 106 T C -0.766 174.035 174.700 0.169 0.000 1.142 106 T CA -0.735 61.473 62.100 0.179 0.000 1.078 106 T CB 1.174 70.180 68.868 0.229 0.000 1.150 106 T HN 0.134 nan 8.240 nan 0.000 0.465 107 A N 1.537 124.457 122.820 0.166 0.000 2.522 107 A HA 0.543 4.856 4.320 -0.011 0.000 0.256 107 A C 1.584 179.285 177.584 0.196 0.000 1.086 107 A CA 0.925 53.093 52.037 0.219 0.000 0.763 107 A CB -0.899 18.270 19.000 0.282 0.000 1.024 107 A HN 2.027 nan 8.150 nan 0.000 0.502 108 G N 1.346 110.260 108.800 0.190 0.000 2.213 108 G HA2 -0.182 3.772 3.960 -0.011 0.000 0.236 108 G HA3 -0.182 3.772 3.960 -0.011 0.000 0.236 108 G C 0.241 175.180 174.900 0.065 0.000 0.991 108 G CA 0.016 45.153 45.100 0.062 0.000 0.629 108 G HN 1.388 nan 8.290 nan 0.000 0.517 109 V N 2.117 122.097 119.914 0.110 0.000 2.439 109 V HA 0.285 4.398 4.120 -0.011 0.000 0.271 109 V C 1.367 177.526 176.094 0.108 0.000 1.040 109 V CA 0.200 62.578 62.300 0.129 0.000 1.002 109 V CB 1.475 33.399 31.823 0.167 0.000 1.000 109 V HN 0.331 nan 8.190 nan 0.000 0.477 110 E N 2.173 122.429 120.200 0.094 0.000 2.318 110 E HA 0.071 4.414 4.350 -0.011 0.000 0.193 110 E C 0.836 177.467 176.600 0.051 0.000 0.998 110 E CA 0.498 56.937 56.400 0.063 0.000 0.859 110 E CB 0.691 30.422 29.700 0.052 0.000 0.812 110 E HN 0.710 nan 8.360 nan 0.000 0.492 111 T N -0.762 113.821 114.554 0.048 0.000 2.802 111 T HA 0.235 4.578 4.350 -0.011 0.000 0.311 111 T C -1.367 173.355 174.700 0.037 0.000 1.405 111 T CA -0.546 61.577 62.100 0.038 0.000 1.016 111 T CB 1.726 70.606 68.868 0.020 0.000 1.352 111 T HN -0.242 nan 8.240 nan 0.000 0.498 112 T N 3.139 117.711 114.554 0.031 0.000 2.733 112 T HA 0.603 4.946 4.350 -0.011 0.000 0.294 112 T C 0.435 175.144 174.700 0.015 0.000 0.956 112 T CA -0.440 61.673 62.100 0.022 0.000 0.987 112 T CB 0.744 69.617 68.868 0.008 0.000 0.920 112 T HN 0.841 nan 8.240 nan 0.000 0.470 113 T N -0.000 114.566 114.554 0.021 0.000 2.768 113 T HA 0.864 5.207 4.350 -0.011 0.000 0.268 113 T C 1.102 175.806 174.700 0.006 0.000 0.969 113 T CA 0.025 62.134 62.100 0.014 0.000 1.008 113 T CB 1.592 70.465 68.868 0.008 0.000 1.371 113 T HN 0.753 nan 8.240 nan 0.000 0.587 114 G N 0.367 109.158 108.800 -0.014 0.000 2.799 114 G HA2 -0.053 3.901 3.960 -0.011 0.000 0.200 114 G HA3 -0.053 3.901 3.960 -0.011 0.000 0.200 114 G C -2.485 172.321 174.900 -0.157 0.000 1.206 114 G CA -0.381 44.574 45.100 -0.242 0.000 0.827 114 G HN 0.876 nan 8.290 nan 0.000 0.511 115 P HA 0.554 nan 4.420 nan 0.000 0.279 115 P C 0.433 177.747 177.300 0.023 0.000 1.318 115 P CA -0.324 62.770 63.100 -0.011 0.000 0.819 115 P CB 0.580 32.297 31.700 0.028 0.000 0.927 116 L N 2.346 123.592 121.223 0.038 0.000 2.514 116 L HA 0.127 4.460 4.340 -0.011 0.000 0.280 116 L C 1.808 178.690 176.870 0.021 0.000 1.223 116 L CA 1.210 56.080 54.840 0.051 0.000 0.864 116 L CB -0.429 41.664 42.059 0.056 0.000 1.118 116 L HN 0.791 nan 8.230 nan 0.000 0.494 117 G N 1.213 110.015 108.800 0.003 0.000 2.299 117 G HA2 -0.306 3.648 3.960 -0.011 0.000 0.237 117 G HA3 -0.306 3.648 3.960 -0.011 0.000 0.237 117 G C 0.901 175.736 174.900 -0.109 0.000 1.027 117 G CA 0.425 45.493 45.100 -0.052 0.000 0.619 117 G HN 0.644 nan 8.290 nan 0.000 0.513 118 Q N 0.421 120.163 119.800 -0.097 0.000 2.245 118 Q HA 0.162 4.495 4.340 -0.011 0.000 0.201 118 Q C 2.778 178.741 176.000 -0.063 0.000 0.955 118 Q CA 1.127 56.858 55.803 -0.120 0.000 0.870 118 Q CB -0.204 28.494 28.738 -0.066 0.000 0.945 118 Q HN 0.601 nan 8.270 nan 0.000 0.461 119 G N 1.477 110.259 108.800 -0.030 0.000 2.433 119 G HA2 -0.275 3.679 3.960 -0.011 0.000 0.216 119 G HA3 -0.275 3.679 3.960 -0.011 0.000 0.216 119 G C 1.389 176.284 174.900 -0.009 0.000 1.186 119 G CA 0.670 45.757 45.100 -0.021 0.000 0.779 119 G HN 0.308 nan 8.290 nan 0.000 0.543 120 I N 1.783 122.361 120.570 0.012 0.000 2.264 120 I HA -0.076 4.087 4.170 -0.011 0.000 0.248 120 I C 2.956 179.092 176.117 0.032 0.000 1.111 120 I CA 1.415 62.747 61.300 0.053 0.000 1.382 120 I CB -0.391 37.664 38.000 0.091 0.000 1.060 120 I HN 0.196 nan 8.210 nan 0.000 0.418 121 A N 0.326 123.128 122.820 -0.030 0.000 1.883 121 A HA -0.286 4.027 4.320 -0.011 0.000 0.217 121 A C 2.140 179.709 177.584 -0.025 0.000 1.186 121 A CA 2.390 54.394 52.037 -0.056 0.000 0.624 121 A CB -1.331 17.579 19.000 -0.149 0.000 0.822 121 A HN 0.668 nan 8.150 nan 0.000 0.444 122 N N 0.126 118.814 118.700 -0.021 0.000 2.104 122 N HA -0.091 4.642 4.740 -0.011 0.000 0.190 122 N C 1.935 177.454 175.510 0.016 0.000 1.024 122 N CA 1.044 54.094 53.050 0.001 0.000 0.853 122 N CB -0.267 38.222 38.487 0.003 0.000 1.008 122 N HN 0.518 nan 8.380 nan 0.000 0.424 123 A N 0.897 123.729 122.820 0.020 0.000 1.898 123 A HA -0.071 4.243 4.320 -0.011 0.000 0.216 123 A C 2.418 180.020 177.584 0.030 0.000 1.181 123 A CA 1.007 53.064 52.037 0.034 0.000 0.620 123 A CB -0.721 18.312 19.000 0.054 0.000 0.819 123 A HN 0.096 nan 8.150 nan 0.000 0.442 124 V N 0.007 119.941 119.914 0.035 0.000 2.332 124 V HA -0.216 3.897 4.120 -0.011 0.000 0.248 124 V C 2.802 178.878 176.094 -0.031 0.000 1.055 124 V CA 2.026 64.332 62.300 0.011 0.000 1.038 124 V CB -1.402 30.440 31.823 0.031 0.000 0.651 124 V HN 0.620 nan 8.190 nan 0.000 0.450 125 G N -0.771 108.019 108.800 -0.017 0.000 2.418 125 G HA2 -0.274 3.679 3.960 -0.011 0.000 0.217 125 G HA3 -0.274 3.679 3.960 -0.011 0.000 0.217 125 G C 1.611 176.480 174.900 -0.050 0.000 1.158 125 G CA 1.117 46.196 45.100 -0.034 0.000 0.771 125 G HN 0.454 nan 8.290 nan 0.000 0.545 126 M N 0.743 120.347 119.600 0.006 0.000 2.175 126 M HA 0.067 4.540 4.480 -0.011 0.000 0.264 126 M C 2.970 179.243 176.300 -0.045 0.000 1.063 126 M CA 1.300 56.636 55.300 0.059 0.000 1.119 126 M CB -0.106 32.587 32.600 0.155 0.000 1.377 126 M HN 0.303 nan 8.290 nan 0.000 0.415 127 A N 0.456 123.235 122.820 -0.069 0.000 1.929 127 A HA -0.056 4.257 4.320 -0.011 0.000 0.216 127 A C 2.073 179.542 177.584 -0.192 0.000 1.176 127 A CA 1.115 53.072 52.037 -0.134 0.000 0.628 127 A CB -0.749 18.171 19.000 -0.134 0.000 0.816 127 A HN 0.427 nan 8.150 nan 0.000 0.444 128 I N -0.141 120.316 120.570 -0.188 0.000 2.226 128 I HA -0.299 3.864 4.170 -0.011 0.000 0.245 128 I C 2.978 178.914 176.117 -0.302 0.000 1.100 128 I CA 1.074 62.233 61.300 -0.235 0.000 1.374 128 I CB -0.321 37.537 38.000 -0.236 0.000 1.057 128 I HN 0.366 nan 8.210 nan 0.000 0.413 129 A N 0.172 122.782 122.820 -0.349 0.000 1.877 129 A HA -0.256 4.058 4.320 -0.011 0.000 0.216 129 A C 2.368 179.788 177.584 -0.274 0.000 1.186 129 A CA 1.797 53.598 52.037 -0.394 0.000 0.620 129 A CB -0.588 18.136 19.000 -0.461 0.000 0.822 129 A HN 0.429 nan 8.150 nan 0.000 0.443 130 E N 0.255 120.212 120.200 -0.406 0.000 2.051 130 E HA -0.234 4.110 4.350 -0.011 0.000 0.192 130 E C 2.071 178.562 176.600 -0.182 0.000 0.991 130 E CA 1.666 57.889 56.400 -0.296 0.000 0.799 130 E CB -0.253 29.195 29.700 -0.421 0.000 0.748 130 E HN 0.654 nan 8.360 nan 0.000 0.449 131 K N -0.322 119.965 120.400 -0.188 0.000 2.057 131 K HA -0.107 4.206 4.320 -0.011 0.000 0.207 131 K C 2.081 178.649 176.600 -0.054 0.000 1.049 131 K CA 1.856 58.058 56.287 -0.141 0.000 0.931 131 K CB -0.070 32.332 32.500 -0.164 0.000 0.714 131 K HN 0.062 nan 8.250 nan 0.000 0.440 132 T N 1.701 116.236 114.554 -0.033 0.000 2.777 132 T HA -0.123 4.221 4.350 -0.011 0.000 0.266 132 T C 1.711 176.587 174.700 0.294 0.000 1.040 132 T CA 0.975 63.119 62.100 0.075 0.000 1.141 132 T CB -0.168 68.660 68.868 -0.066 0.000 0.868 132 T HN 0.101 nan 8.240 nan 0.000 0.444 133 L N 1.317 122.799 121.223 0.432 0.000 2.046 133 L HA 0.059 4.392 4.340 -0.011 0.000 0.208 133 L C 2.650 179.739 176.870 0.364 0.000 1.077 133 L CA 1.622 56.744 54.840 0.470 0.000 0.747 133 L CB -0.969 41.323 42.059 0.389 0.000 0.896 133 L HN 0.245 nan 8.230 nan 0.000 0.432 134 A N -0.773 122.156 122.820 0.183 0.000 1.877 134 A HA -0.159 4.154 4.320 -0.011 0.000 0.216 134 A C 2.448 180.087 177.584 0.091 0.000 1.186 134 A CA 1.886 53.985 52.037 0.103 0.000 0.620 134 A CB -1.156 17.840 19.000 -0.006 0.000 0.822 134 A HN 0.504 nan 8.150 nan 0.000 0.443 135 A N -0.837 122.023 122.820 0.066 0.000 1.933 135 A HA -0.216 4.097 4.320 -0.011 0.000 0.218 135 A C 2.138 179.737 177.584 0.024 0.000 1.175 135 A CA 1.708 53.764 52.037 0.031 0.000 0.628 135 A CB -0.554 18.455 19.000 0.015 0.000 0.814 135 A HN 0.675 nan 8.150 nan 0.000 0.444 136 Q N -2.100 117.735 119.800 0.058 0.000 2.079 136 Q HA -0.072 4.261 4.340 -0.011 0.000 0.200 136 Q C 1.549 177.395 176.000 -0.257 0.000 0.974 136 Q CA 1.541 57.283 55.803 -0.102 0.000 0.840 136 Q CB -0.136 28.539 28.738 -0.106 0.000 0.898 136 Q HN 0.749 nan 8.270 nan 0.000 0.430 137 F N 0.013 120.005 119.950 0.069 0.000 2.559 137 F HA 0.121 4.641 4.527 -0.011 0.000 0.286 137 F C 0.595 176.368 175.800 -0.044 0.000 1.108 137 F CA -0.459 57.573 58.000 0.052 0.000 1.436 137 F CB 0.225 39.274 39.000 0.081 0.000 1.130 137 F HN -0.110 nan 8.300 nan 0.000 0.584 138 N N 1.921 120.675 118.700 0.089 0.000 2.454 138 N HA 0.112 4.846 4.740 -0.011 0.000 0.254 138 N C -0.095 175.418 175.510 0.005 0.000 1.228 138 N CA 0.370 53.430 53.050 0.016 0.000 0.900 138 N CB 0.396 38.894 38.487 0.018 0.000 1.089 138 N HN -0.041 nan 8.380 nan 0.000 0.449 139 R N 1.192 121.715 120.500 0.037 0.000 2.837 139 R HA 0.495 4.829 4.340 -0.011 0.000 0.271 139 R C -2.600 173.780 176.300 0.134 0.000 0.993 139 R CA -2.002 54.097 56.100 -0.001 0.000 0.931 139 R CB 0.621 30.726 30.300 -0.325 0.000 1.206 139 R HN 0.319 nan 8.270 nan 0.000 0.474 140 P HA 0.039 nan 4.420 nan 0.000 0.261 140 P C 0.611 177.993 177.300 0.137 0.000 1.183 140 P CA 1.134 64.304 63.100 0.118 0.000 0.761 140 P CB 0.282 32.047 31.700 0.110 0.000 0.785 141 G N 2.446 111.259 108.800 0.021 0.000 2.179 141 G HA2 -0.219 3.734 3.960 -0.011 0.000 0.260 141 G HA3 -0.219 3.734 3.960 -0.011 0.000 0.260 141 G C 0.172 174.859 174.900 -0.356 0.000 0.977 141 G CA -0.275 44.735 45.100 -0.150 0.000 0.641 141 G HN 0.719 nan 8.290 nan 0.000 0.533 142 H N 0.486 119.609 119.070 0.087 0.000 2.490 142 H HA 0.266 4.815 4.556 -0.011 0.000 0.230 142 H C -1.150 174.174 175.328 -0.006 0.000 1.417 142 H CA -0.653 55.449 56.048 0.090 0.000 1.449 142 H CB 0.652 30.582 29.762 0.280 0.000 1.649 142 H HN 0.148 nan 8.280 nan 0.000 0.519 143 D N 2.582 123.019 120.400 0.062 0.000 2.563 143 D HA 0.077 4.710 4.640 -0.011 0.000 0.222 143 D C 1.855 178.182 176.300 0.045 0.000 1.145 143 D CA -0.204 53.818 54.000 0.036 0.000 1.001 143 D CB 0.114 40.941 40.800 0.045 0.000 1.049 143 D HN 0.608 nan 8.370 nan 0.000 0.515 144 I N -2.063 118.469 120.570 -0.064 0.000 2.928 144 I HA 0.005 4.168 4.170 -0.011 0.000 0.266 144 I C 0.205 176.471 176.117 0.249 0.000 1.234 144 I CA 0.368 61.667 61.300 -0.002 0.000 1.483 144 I CB 0.180 37.912 38.000 -0.448 0.000 1.097 144 I HN -0.185 nan 8.210 nan 0.000 0.455 145 V N 2.649 122.627 119.914 0.106 0.000 2.378 145 V HA 0.469 4.582 4.120 -0.011 0.000 0.288 145 V C -1.138 174.978 176.094 0.037 0.000 1.016 145 V CA -0.277 62.103 62.300 0.134 0.000 0.840 145 V CB 1.099 33.002 31.823 0.134 0.000 0.994 145 V HN 0.283 nan 8.190 nan 0.000 0.431 146 D N 4.052 124.470 120.400 0.030 0.000 2.474 146 D HA 0.253 4.887 4.640 -0.011 0.000 0.234 146 D C -0.854 175.439 176.300 -0.011 0.000 1.323 146 D CA -0.253 53.721 54.000 -0.042 0.000 0.915 146 D CB 0.537 41.373 40.800 0.060 0.000 1.487 146 D HN 0.810 nan 8.370 nan 0.000 0.524 147 H N 0.298 119.309 119.070 -0.098 0.000 3.016 147 H HA 0.406 4.955 4.556 -0.011 0.000 0.362 147 H C -1.195 174.023 175.328 -0.183 0.000 1.233 147 H CA -0.711 55.286 56.048 -0.084 0.000 1.124 147 H CB 0.550 30.226 29.762 -0.144 0.000 1.850 147 H HN 0.034 nan 8.280 nan 0.000 0.549 148 Y N 0.442 120.739 120.300 -0.006 0.000 2.374 148 Y HA 0.337 4.880 4.550 -0.012 0.000 0.322 148 Y C 0.634 176.401 175.900 -0.221 0.000 1.275 148 Y CA 0.034 57.991 58.100 -0.238 0.000 1.307 148 Y CB 1.787 39.926 38.460 -0.535 0.000 1.282 148 Y HN 0.576 nan 8.280 nan 0.000 0.509 149 T N 2.401 116.850 114.554 -0.175 0.000 2.815 149 T HA 0.394 4.738 4.350 -0.011 0.000 0.289 149 T C -1.507 173.119 174.700 -0.124 0.000 1.000 149 T CA -0.649 61.405 62.100 -0.076 0.000 0.958 149 T CB -0.149 68.709 68.868 -0.016 0.000 0.944 149 T HN 0.235 nan 8.240 nan 0.000 0.442 150 Y N 1.541 121.973 120.300 0.219 0.000 2.341 150 Y HA 0.681 5.224 4.550 -0.012 0.000 0.337 150 Y C 0.296 176.298 175.900 0.169 0.000 1.014 150 Y CA -1.039 57.247 58.100 0.311 0.000 1.111 150 Y CB 1.563 40.282 38.460 0.431 0.000 1.194 150 Y HN 0.772 nan 8.280 nan 0.000 0.462 151 A N 3.397 126.476 122.820 0.433 0.000 2.386 151 A HA 0.814 5.127 4.320 -0.011 0.000 0.311 151 A C -1.757 176.159 177.584 0.553 0.000 1.068 151 A CA -0.572 51.594 52.037 0.215 0.000 0.743 151 A CB 0.830 19.941 19.000 0.186 0.000 1.258 151 A HN 0.478 nan 8.150 nan 0.000 0.429 152 F N 1.861 121.843 119.950 0.053 0.000 2.422 152 F HA 0.759 5.279 4.527 -0.012 0.000 0.333 152 F C 0.524 176.382 175.800 0.095 0.000 1.095 152 F CA -1.116 56.969 58.000 0.142 0.000 1.038 152 F CB 1.696 40.751 39.000 0.091 0.000 1.156 152 F HN 0.716 nan 8.300 nan 0.000 0.483 153 M N 1.302 121.091 119.600 0.316 0.000 2.603 153 M HA 0.850 5.323 4.480 -0.011 0.000 0.275 153 M C -0.886 175.584 176.300 0.283 0.000 1.226 153 M CA -0.695 54.745 55.300 0.233 0.000 0.870 153 M CB 2.151 34.862 32.600 0.184 0.000 1.716 153 M HN 0.550 nan 8.290 nan 0.000 0.482 154 G N 0.044 109.009 108.800 0.275 0.000 3.175 154 G HA2 0.435 4.388 3.960 -0.011 0.000 0.255 154 G HA3 0.435 4.388 3.960 -0.011 0.000 0.255 154 G C -0.332 174.802 174.900 0.390 0.000 1.352 154 G CA -0.394 44.915 45.100 0.349 0.000 1.037 154 G HN 0.822 nan 8.290 nan 0.000 0.556 155 D N -0.102 120.537 120.400 0.399 0.000 2.144 155 D HA -0.108 4.526 4.640 -0.011 0.000 0.199 155 D C 2.427 178.719 176.300 -0.015 0.000 0.984 155 D CA 1.557 55.729 54.000 0.287 0.000 0.834 155 D CB -0.280 40.715 40.800 0.325 0.000 0.955 155 D HN 0.410 nan 8.370 nan 0.000 0.465 156 G N 0.815 109.650 108.800 0.057 0.000 2.421 156 G HA2 -0.270 3.683 3.960 -0.011 0.000 0.216 156 G HA3 -0.270 3.683 3.960 -0.011 0.000 0.216 156 G C 1.962 176.851 174.900 -0.019 0.000 1.171 156 G CA 0.939 46.038 45.100 -0.002 0.000 0.775 156 G HN 0.308 nan 8.290 nan 0.000 0.543 157 C N 0.614 119.938 119.300 0.041 0.000 2.413 157 C HA 0.005 4.459 4.460 -0.011 0.000 0.276 157 C C 2.981 177.960 174.990 -0.018 0.000 1.248 157 C CA 0.836 59.869 59.018 0.024 0.000 1.742 157 C CB -0.665 27.113 27.740 0.064 0.000 2.017 157 C HN 0.368 nan 8.230 nan 0.000 0.481 158 M N -0.109 119.456 119.600 -0.058 0.000 2.175 158 M HA -0.092 4.382 4.480 -0.011 0.000 0.264 158 M C 2.113 178.323 176.300 -0.150 0.000 1.063 158 M CA 1.644 56.894 55.300 -0.083 0.000 1.119 158 M CB -0.993 31.535 32.600 -0.120 0.000 1.377 158 M HN 0.439 nan 8.290 nan 0.000 0.415 159 M N -0.488 118.901 119.600 -0.352 0.000 2.200 159 M HA -0.086 4.387 4.480 -0.011 0.000 0.265 159 M C 0.475 176.708 176.300 -0.112 0.000 1.066 159 M CA 0.706 55.802 55.300 -0.341 0.000 1.127 159 M CB -0.173 32.174 32.600 -0.420 0.000 1.379 159 M HN 0.036 nan 8.290 nan 0.000 0.420 160 E N 0.579 120.739 120.200 -0.068 0.000 2.414 160 E HA -0.024 4.320 4.350 -0.011 0.000 0.263 160 E C 1.109 177.725 176.600 0.027 0.000 1.000 160 E CA 0.266 56.663 56.400 -0.005 0.000 0.914 160 E CB 0.723 30.428 29.700 0.007 0.000 0.948 160 E HN 0.342 nan 8.360 nan 0.000 0.444 161 G N 3.791 112.628 108.800 0.062 0.000 2.469 161 G HA2 -0.280 3.673 3.960 -0.011 0.000 0.220 161 G HA3 -0.280 3.673 3.960 -0.011 0.000 0.220 161 G C 1.454 176.408 174.900 0.091 0.000 1.136 161 G CA 0.434 45.593 45.100 0.099 0.000 0.759 161 G HN 0.632 nan 8.290 nan 0.000 0.562 162 I N 1.596 122.179 120.570 0.022 0.000 2.423 162 I HA -0.230 3.933 4.170 -0.011 0.000 0.254 162 I C 3.045 179.088 176.117 -0.123 0.000 1.151 162 I CA 1.719 62.930 61.300 -0.148 0.000 1.421 162 I CB -0.055 37.611 38.000 -0.558 0.000 1.079 162 I HN 0.351 nan 8.210 nan 0.000 0.431 163 S N -0.456 115.211 115.700 -0.054 0.000 2.382 163 S HA -0.335 4.129 4.470 -0.011 0.000 0.228 163 S C 2.050 176.599 174.600 -0.085 0.000 1.027 163 S CA 1.545 59.725 58.200 -0.032 0.000 0.991 163 S CB -0.781 62.444 63.200 0.043 0.000 0.823 163 S HN 0.719 nan 8.310 nan 0.000 0.469 164 H N 1.853 120.855 119.070 -0.113 0.000 2.321 164 H HA 0.011 4.561 4.556 -0.010 0.000 0.300 164 H C 2.001 177.153 175.328 -0.293 0.000 1.087 164 H CA 2.207 58.150 56.048 -0.175 0.000 1.319 164 H CB -0.503 29.249 29.762 -0.018 0.000 1.379 164 H HN 0.594 nan 8.280 nan 0.000 0.501 165 E N -0.253 119.748 120.200 -0.333 0.000 2.038 165 E HA -0.166 4.177 4.350 -0.011 0.000 0.195 165 E C 2.447 178.852 176.600 -0.325 0.000 1.000 165 E CA 1.959 58.152 56.400 -0.345 0.000 0.803 165 E CB -0.120 29.503 29.700 -0.128 0.000 0.750 165 E HN 0.544 nan 8.360 nan 0.000 0.448 166 V N -1.095 118.677 119.914 -0.236 0.000 2.591 166 V HA -0.115 3.999 4.120 -0.011 0.000 0.249 166 V C 2.196 178.210 176.094 -0.132 0.000 1.053 166 V CA 1.131 63.344 62.300 -0.144 0.000 1.068 166 V CB -0.587 31.188 31.823 -0.080 0.000 0.689 166 V HN 0.283 nan 8.190 nan 0.000 0.462 167 C N 0.466 119.607 119.300 -0.264 0.000 2.467 167 C HA -0.010 4.443 4.460 -0.011 0.000 0.279 167 C C 3.243 177.939 174.990 -0.491 0.000 1.347 167 C CA 1.329 60.207 59.018 -0.233 0.000 1.748 167 C CB -0.767 26.608 27.740 -0.608 0.000 1.977 167 C HN 0.737 nan 8.230 nan 0.000 0.501 168 S N 0.921 116.002 115.700 -1.031 0.000 2.353 168 S HA -0.187 4.276 4.470 -0.011 0.000 0.222 168 S C 1.811 176.242 174.600 -0.280 0.000 1.035 168 S CA 1.744 59.462 58.200 -0.804 0.000 1.025 168 S CB -0.395 62.324 63.200 -0.801 0.000 0.902 168 S HN 0.479 nan 8.310 nan 0.000 0.440 169 L N 1.859 122.943 121.223 -0.232 0.000 2.093 169 L HA 0.169 4.502 4.340 -0.011 0.000 0.208 169 L C 2.517 179.340 176.870 -0.077 0.000 1.085 169 L CA 1.995 56.761 54.840 -0.124 0.000 0.755 169 L CB -1.283 40.715 42.059 -0.101 0.000 0.904 169 L HN 0.352 nan 8.230 nan 0.000 0.435 170 A N -0.544 122.262 122.820 -0.025 0.000 1.948 170 A HA -0.140 4.173 4.320 -0.011 0.000 0.220 170 A C 2.327 179.856 177.584 -0.091 0.000 1.177 170 A CA 1.712 53.731 52.037 -0.029 0.000 0.636 170 A CB -1.528 17.537 19.000 0.109 0.000 0.815 170 A HN 0.535 nan 8.150 nan 0.000 0.449 171 G N -1.293 107.540 108.800 0.056 0.000 2.404 171 G HA2 -0.114 3.840 3.960 -0.011 0.000 0.215 171 G HA3 -0.114 3.840 3.960 -0.011 0.000 0.215 171 G C 1.571 176.464 174.900 -0.011 0.000 1.174 171 G CA 1.550 46.680 45.100 0.049 0.000 0.780 171 G HN 0.424 nan 8.290 nan 0.000 0.537 172 T N 1.517 116.061 114.554 -0.016 0.000 2.720 172 T HA -0.060 4.283 4.350 -0.011 0.000 0.268 172 T C 2.185 176.846 174.700 -0.065 0.000 1.037 172 T CA 0.828 62.906 62.100 -0.036 0.000 1.144 172 T CB -0.194 68.646 68.868 -0.046 0.000 0.864 172 T HN 0.131 nan 8.240 nan 0.000 0.444 173 L N 0.296 121.463 121.223 -0.092 0.000 2.599 173 L HA 0.176 4.509 4.340 -0.011 0.000 0.230 173 L C 0.506 177.298 176.870 -0.129 0.000 1.141 173 L CA 0.205 54.976 54.840 -0.114 0.000 0.877 173 L CB -0.399 41.577 42.059 -0.139 0.000 1.009 173 L HN 0.256 nan 8.230 nan 0.000 0.447 174 K N 0.940 121.260 120.400 -0.133 0.000 3.257 174 K HA -0.177 4.137 4.320 -0.011 0.000 0.270 174 K C -0.240 176.247 176.600 -0.189 0.000 0.984 174 K CA 0.294 56.493 56.287 -0.147 0.000 0.739 174 K CB -1.742 30.696 32.500 -0.104 0.000 1.351 174 K HN 0.337 nan 8.250 nan 0.000 0.463 175 L N 0.723 121.798 121.223 -0.247 0.000 2.382 175 L HA 0.051 4.384 4.340 -0.011 0.000 0.259 175 L C 1.864 178.562 176.870 -0.288 0.000 1.291 175 L CA 0.167 54.850 54.840 -0.263 0.000 1.176 175 L CB 0.080 41.979 42.059 -0.267 0.000 1.373 175 L HN 0.462 nan 8.230 nan 0.000 0.426 176 G N 1.212 109.870 108.800 -0.236 0.000 2.559 176 G HA2 -0.154 3.800 3.960 -0.011 0.000 0.216 176 G HA3 -0.154 3.800 3.960 -0.011 0.000 0.216 176 G C 1.380 176.154 174.900 -0.210 0.000 1.126 176 G CA 0.181 45.159 45.100 -0.204 0.000 0.778 176 G HN 0.498 nan 8.290 nan 0.000 0.543 177 K N -0.742 119.472 120.400 -0.311 0.000 2.372 177 K HA 0.245 4.559 4.320 -0.011 0.000 0.200 177 K C -0.241 176.199 176.600 -0.267 0.000 1.022 177 K CA -0.540 55.457 56.287 -0.485 0.000 1.125 177 K CB 0.520 32.557 32.500 -0.772 0.000 0.855 177 K HN 0.211 nan 8.250 nan 0.000 0.524 178 L N 1.767 122.863 121.223 -0.212 0.000 2.265 178 L HA 0.383 4.716 4.340 -0.011 0.000 0.288 178 L C -0.875 175.944 176.870 -0.086 0.000 1.058 178 L CA -0.149 54.601 54.840 -0.151 0.000 0.809 178 L CB 0.506 42.445 42.059 -0.200 0.000 1.179 178 L HN -0.010 nan 8.230 nan 0.000 0.429 179 I N 5.576 126.162 120.570 0.027 0.000 2.439 179 I HA 0.610 4.773 4.170 -0.011 0.000 0.285 179 I C -0.384 175.869 176.117 0.227 0.000 1.021 179 I CA -0.500 60.859 61.300 0.098 0.000 1.091 179 I CB 1.778 39.853 38.000 0.124 0.000 1.242 179 I HN 0.777 nan 8.210 nan 0.000 0.439 180 A N 6.380 129.335 122.820 0.224 0.000 2.337 180 A HA 0.850 5.163 4.320 -0.011 0.000 0.329 180 A C -1.217 176.445 177.584 0.130 0.000 1.146 180 A CA -0.307 51.926 52.037 0.327 0.000 0.800 180 A CB 0.615 19.854 19.000 0.399 0.000 1.220 180 A HN 0.502 nan 8.150 nan 0.000 0.472 181 F N 1.703 121.828 119.950 0.293 0.000 2.402 181 F HA 0.368 4.888 4.527 -0.012 0.000 0.355 181 F C -0.343 175.520 175.800 0.106 0.000 1.123 181 F CA -0.444 57.644 58.000 0.147 0.000 1.021 181 F CB 1.306 40.329 39.000 0.038 0.000 1.160 181 F HN 0.583 nan 8.300 nan 0.000 0.451 182 Y N 3.397 123.728 120.300 0.051 0.000 2.383 182 Y HA 0.287 4.830 4.550 -0.012 0.000 0.344 182 Y C -0.142 175.742 175.900 -0.026 0.000 0.986 182 Y CA -1.797 56.294 58.100 -0.015 0.000 1.175 182 Y CB 0.559 38.953 38.460 -0.110 0.000 1.152 182 Y HN 0.534 nan 8.280 nan 0.000 0.511 183 D N 4.842 125.173 120.400 -0.116 0.000 2.455 183 D HA 0.022 4.655 4.640 -0.011 0.000 0.234 183 D C -0.924 175.066 176.300 -0.518 0.000 1.224 183 D CA 0.134 53.975 54.000 -0.265 0.000 0.999 183 D CB -0.226 40.513 40.800 -0.102 0.000 1.072 183 D HN 0.496 nan 8.370 nan 0.000 0.514 184 D N 2.530 122.496 120.400 -0.724 0.000 2.522 184 D HA 0.018 4.651 4.640 -0.011 0.000 0.218 184 D C 0.493 176.618 176.300 -0.292 0.000 1.149 184 D CA -0.322 53.213 54.000 -0.775 0.000 0.981 184 D CB -0.190 40.168 40.800 -0.735 0.000 1.041 184 D HN 0.366 nan 8.370 nan 0.000 0.518 185 N N 1.659 120.271 118.700 -0.146 0.000 2.184 185 N HA 0.116 4.850 4.740 -0.011 0.000 0.206 185 N C 1.407 176.937 175.510 0.034 0.000 1.151 185 N CA 0.294 53.330 53.050 -0.023 0.000 0.878 185 N CB 0.322 38.825 38.487 0.026 0.000 1.014 185 N HN 0.268 nan 8.380 nan 0.000 0.512 186 G N 0.042 108.868 108.800 0.044 0.000 2.168 186 G HA2 -0.218 3.735 3.960 -0.011 0.000 0.263 186 G HA3 -0.218 3.735 3.960 -0.011 0.000 0.263 186 G C -0.438 174.513 174.900 0.085 0.000 0.977 186 G CA 0.602 45.746 45.100 0.073 0.000 0.659 186 G HN 0.335 nan 8.290 nan 0.000 0.533 187 I N 1.053 121.681 120.570 0.096 0.000 2.545 187 I HA 0.650 4.813 4.170 -0.011 0.000 0.292 187 I C 0.553 176.765 176.117 0.157 0.000 1.040 187 I CA -0.249 61.103 61.300 0.086 0.000 1.068 187 I CB 1.734 39.766 38.000 0.054 0.000 1.251 187 I HN 0.395 nan 8.210 nan 0.000 0.424 188 S N 5.321 121.147 115.700 0.211 0.000 2.851 188 S HA 0.613 5.076 4.470 -0.011 0.000 0.317 188 S C 1.011 175.625 174.600 0.024 0.000 1.144 188 S CA -0.726 57.556 58.200 0.135 0.000 0.862 188 S CB 1.456 64.817 63.200 0.268 0.000 1.259 188 S HN 0.442 nan 8.310 nan 0.000 0.564 189 I N 1.037 121.504 120.570 -0.171 0.000 2.286 189 I HA -0.133 4.030 4.170 -0.011 0.000 0.248 189 I C 1.316 177.326 176.117 -0.179 0.000 1.115 189 I CA 1.430 62.597 61.300 -0.221 0.000 1.392 189 I CB -0.391 37.439 38.000 -0.283 0.000 1.065 189 I HN 0.601 nan 8.210 nan 0.000 0.418 190 D N 0.529 120.790 120.400 -0.232 0.000 2.348 190 D HA 0.106 4.740 4.640 -0.011 0.000 0.216 190 D C 1.036 177.328 176.300 -0.014 0.000 0.970 190 D CA 1.079 54.872 54.000 -0.344 0.000 0.889 190 D CB 0.248 40.472 40.800 -0.960 0.000 0.912 190 D HN 0.520 nan 8.370 nan 0.000 0.524 191 G N -0.822 108.115 108.800 0.229 0.000 2.250 191 G HA2 -0.153 3.800 3.960 -0.011 0.000 0.189 191 G HA3 -0.153 3.800 3.960 -0.011 0.000 0.189 191 G C -0.896 174.155 174.900 0.253 0.000 1.298 191 G CA -0.879 44.359 45.100 0.230 0.000 1.246 191 G HN 0.146 nan 8.290 nan 0.000 0.513 192 H N 1.886 121.057 119.070 0.169 0.000 2.899 192 H HA 0.231 4.780 4.556 -0.012 0.000 0.303 192 H C 2.106 177.143 175.328 -0.484 0.000 1.042 192 H CA 0.764 56.777 56.048 -0.057 0.000 1.479 192 H CB 1.450 31.176 29.762 -0.061 0.000 1.493 192 H HN 0.814 nan 8.280 nan 0.000 0.534 193 V N 1.830 121.554 119.914 -0.317 0.000 2.720 193 V HA -0.205 3.908 4.120 -0.011 0.000 0.256 193 V C 1.378 176.909 176.094 -0.939 0.000 1.082 193 V CA 1.438 63.292 62.300 -0.743 0.000 1.101 193 V CB -0.358 31.427 31.823 -0.064 0.000 0.693 193 V HN 0.537 nan 8.190 nan 0.000 0.479 194 E N 2.110 121.995 120.200 -0.526 0.000 2.331 194 E HA -0.024 4.320 4.350 -0.011 0.000 0.199 194 E C 2.198 178.575 176.600 -0.372 0.000 1.008 194 E CA 1.286 57.468 56.400 -0.364 0.000 0.843 194 E CB -0.803 28.767 29.700 -0.217 0.000 0.761 194 E HN 0.715 nan 8.360 nan 0.000 0.507 195 G N 0.015 108.460 108.800 -0.591 0.000 2.534 195 G HA2 -0.158 3.795 3.960 -0.011 0.000 0.217 195 G HA3 -0.158 3.795 3.960 -0.011 0.000 0.217 195 G C 0.764 175.726 174.900 0.104 0.000 1.128 195 G CA 0.808 45.791 45.100 -0.193 0.000 0.784 195 G HN 0.551 nan 8.290 nan 0.000 0.542 196 W N -3.704 117.656 121.300 0.101 0.000 1.807 196 W HA 0.630 5.287 4.660 -0.004 0.000 0.251 196 W C -0.590 176.059 176.519 0.217 0.000 0.848 196 W CA -1.232 56.181 57.345 0.113 0.000 1.157 196 W CB 0.360 29.864 29.460 0.074 0.000 0.992 196 W HN -0.094 nan 8.180 nan 0.000 0.506 197 F N 3.700 123.557 119.950 -0.154 0.000 2.941 197 F HA 0.504 5.024 4.527 -0.012 0.000 0.359 197 F C 0.145 175.890 175.800 -0.092 0.000 1.231 197 F CA -1.268 56.701 58.000 -0.052 0.000 1.089 197 F CB 1.073 40.074 39.000 0.001 0.000 1.407 197 F HN 0.043 nan 8.300 nan 0.000 0.538 198 T N -0.217 114.204 114.554 -0.222 0.000 3.170 198 T HA 0.236 4.580 4.350 -0.011 0.000 0.288 198 T C -0.214 174.303 174.700 -0.306 0.000 0.992 198 T CA -0.354 61.574 62.100 -0.287 0.000 0.909 198 T CB -0.369 68.416 68.868 -0.138 0.000 1.133 198 T HN 0.256 nan 8.240 nan 0.000 0.530 199 D N 3.103 123.266 120.400 -0.395 0.000 2.506 199 D HA 0.107 4.740 4.640 -0.011 0.000 0.234 199 D C 0.038 176.197 176.300 -0.236 0.000 1.143 199 D CA 0.373 54.236 54.000 -0.229 0.000 0.871 199 D CB 0.461 41.195 40.800 -0.111 0.000 1.190 199 D HN 0.231 nan 8.370 nan 0.000 0.459 200 D N 1.362 121.680 120.400 -0.136 0.000 2.470 200 D HA 0.021 4.655 4.640 -0.011 0.000 0.226 200 D C 0.592 176.845 176.300 -0.078 0.000 1.196 200 D CA -0.035 53.902 54.000 -0.105 0.000 0.979 200 D CB 0.214 40.967 40.800 -0.078 0.000 1.059 200 D HN 0.128 nan 8.370 nan 0.000 0.515 201 T N 1.871 116.377 114.554 -0.079 0.000 2.788 201 T HA -0.118 4.225 4.350 -0.011 0.000 0.268 201 T C 1.829 176.529 174.700 -0.000 0.000 1.044 201 T CA 1.373 63.455 62.100 -0.031 0.000 1.139 201 T CB 0.105 68.915 68.868 -0.096 0.000 0.867 201 T HN 0.519 nan 8.240 nan 0.000 0.454 202 A N 1.409 124.212 122.820 -0.029 0.000 1.902 202 A HA -0.041 4.273 4.320 -0.011 0.000 0.217 202 A C 2.302 179.883 177.584 -0.004 0.000 1.181 202 A CA 1.700 53.725 52.037 -0.020 0.000 0.623 202 A CB -0.699 18.284 19.000 -0.029 0.000 0.818 202 A HN 0.504 nan 8.150 nan 0.000 0.443 203 M N -0.805 118.775 119.600 -0.032 0.000 2.117 203 M HA -0.178 4.295 4.480 -0.011 0.000 0.262 203 M C 2.365 178.602 176.300 -0.105 0.000 1.065 203 M CA 2.066 57.334 55.300 -0.053 0.000 1.114 203 M CB -0.228 32.338 32.600 -0.058 0.000 1.361 203 M HN 0.517 nan 8.290 nan 0.000 0.408 204 R N -0.348 120.074 120.500 -0.130 0.000 2.083 204 R HA -0.197 4.137 4.340 -0.011 0.000 0.237 204 R C 1.812 177.745 176.300 -0.610 0.000 1.137 204 R CA 2.151 58.056 56.100 -0.326 0.000 0.951 204 R CB -0.502 29.672 30.300 -0.210 0.000 0.851 204 R HN 0.368 nan 8.270 nan 0.000 0.434 205 F N 1.250 120.923 119.950 -0.461 0.000 2.259 205 F HA -0.017 4.503 4.527 -0.012 0.000 0.298 205 F C 2.227 177.951 175.800 -0.127 0.000 1.088 205 F CA 1.222 58.982 58.000 -0.401 0.000 1.358 205 F CB -0.135 38.656 39.000 -0.349 0.000 1.040 205 F HN 0.132 nan 8.300 nan 0.000 0.505 206 E N -0.084 120.154 120.200 0.062 0.000 2.153 206 E HA -0.193 4.151 4.350 -0.011 0.000 0.194 206 E C 2.340 178.957 176.600 0.028 0.000 0.988 206 E CA 0.932 57.380 56.400 0.081 0.000 0.811 206 E CB -0.295 29.432 29.700 0.045 0.000 0.746 206 E HN 0.368 nan 8.360 nan 0.000 0.466 207 A N 0.559 123.312 122.820 -0.113 0.000 2.015 207 A HA -0.145 4.168 4.320 -0.011 0.000 0.219 207 A C 1.284 178.872 177.584 0.006 0.000 1.163 207 A CA 0.918 52.890 52.037 -0.108 0.000 0.646 207 A CB -0.412 18.460 19.000 -0.214 0.000 0.806 207 A HN 0.231 nan 8.150 nan 0.000 0.448 208 Y N -0.596 119.705 120.300 0.001 0.000 2.529 208 Y HA 0.325 4.868 4.550 -0.013 0.000 0.290 208 Y C 1.869 177.904 175.900 0.224 0.000 1.177 208 Y CA -0.343 57.790 58.100 0.054 0.000 1.305 208 Y CB -0.805 37.596 38.460 -0.097 0.000 1.047 208 Y HN 0.424 nan 8.280 nan 0.000 0.522 209 G N -1.470 107.530 108.800 0.333 0.000 2.147 209 G HA2 -0.282 3.671 3.960 -0.011 0.000 0.244 209 G HA3 -0.282 3.671 3.960 -0.011 0.000 0.244 209 G C -0.242 174.863 174.900 0.342 0.000 1.005 209 G CA -0.235 45.025 45.100 0.266 0.000 0.713 209 G HN 0.227 nan 8.290 nan 0.000 0.515 210 W N 0.205 121.602 121.300 0.162 0.000 2.303 210 W HA 0.591 5.246 4.660 -0.009 0.000 0.334 210 W C 0.913 177.536 176.519 0.174 0.000 1.197 210 W CA -0.799 56.664 57.345 0.196 0.000 1.262 210 W CB 0.453 30.105 29.460 0.320 0.000 1.153 210 W HN 0.212 nan 8.180 nan 0.000 0.596 211 H N 2.008 121.240 119.070 0.269 0.000 2.620 211 H HA 0.410 4.959 4.556 -0.011 0.000 0.313 211 H C -1.106 174.348 175.328 0.211 0.000 1.075 211 H CA -0.042 56.109 56.048 0.172 0.000 1.397 211 H CB 0.748 30.558 29.762 0.079 0.000 1.446 211 H HN 0.135 nan 8.280 nan 0.000 0.493 212 V N 7.974 127.717 119.914 -0.285 0.000 2.495 212 V HA 0.257 4.370 4.120 -0.011 0.000 0.298 212 V C 0.253 176.145 176.094 -0.337 0.000 1.031 212 V CA -0.742 61.444 62.300 -0.190 0.000 0.871 212 V CB 1.736 33.535 31.823 -0.041 0.000 0.988 212 V HN 0.651 nan 8.190 nan 0.000 0.432 213 I N 5.147 125.585 120.570 -0.220 0.000 2.359 213 I HA 0.481 4.644 4.170 -0.011 0.000 0.284 213 I C 0.417 176.486 176.117 -0.080 0.000 1.018 213 I CA -0.401 60.812 61.300 -0.145 0.000 1.173 213 I CB 1.009 38.959 38.000 -0.082 0.000 1.326 213 I HN 0.520 nan 8.210 nan 0.000 0.462 214 R N 4.450 124.912 120.500 -0.065 0.000 2.528 214 R HA 0.256 4.589 4.340 -0.011 0.000 0.271 214 R C -0.241 176.039 176.300 -0.034 0.000 1.056 214 R CA -0.568 55.506 56.100 -0.044 0.000 1.117 214 R CB 0.421 30.698 30.300 -0.038 0.000 1.085 214 R HN 0.538 nan 8.270 nan 0.000 0.530 215 D N 0.636 121.015 120.400 -0.034 0.000 2.723 215 D HA -0.181 4.452 4.640 -0.011 0.000 0.236 215 D C -0.613 175.670 176.300 -0.028 0.000 1.138 215 D CA 0.957 54.938 54.000 -0.031 0.000 0.676 215 D CB -1.174 39.613 40.800 -0.022 0.000 1.069 215 D HN 0.394 nan 8.370 nan 0.000 0.430 216 I N 0.757 121.305 120.570 -0.037 0.000 2.471 216 I HA 0.013 4.176 4.170 -0.011 0.000 0.286 216 I C 1.067 177.153 176.117 -0.052 0.000 1.079 216 I CA -0.232 61.048 61.300 -0.033 0.000 1.398 216 I CB 0.670 38.654 38.000 -0.027 0.000 1.403 216 I HN -0.164 nan 8.210 nan 0.000 0.530 217 D N 5.910 126.288 120.400 -0.037 0.000 2.359 217 D HA 0.064 4.697 4.640 -0.011 0.000 0.250 217 D C 1.242 177.479 176.300 -0.105 0.000 1.264 217 D CA -0.083 53.889 54.000 -0.046 0.000 0.911 217 D CB 1.206 42.005 40.800 -0.001 0.000 1.056 217 D HN 0.711 nan 8.370 nan 0.000 0.499 218 G N 2.920 111.586 108.800 -0.224 0.000 2.708 218 G HA2 -0.188 3.765 3.960 -0.011 0.000 0.210 218 G HA3 -0.188 3.765 3.960 -0.011 0.000 0.210 218 G C 0.901 175.465 174.900 -0.561 0.000 1.141 218 G CA 0.317 45.190 45.100 -0.378 0.000 0.788 218 G HN 0.608 nan 8.290 nan 0.000 0.531 219 H N -0.691 118.295 119.070 -0.139 0.000 2.528 219 H HA 0.191 4.740 4.556 -0.012 0.000 0.282 219 H C -0.699 174.551 175.328 -0.130 0.000 1.097 219 H CA -0.357 55.553 56.048 -0.231 0.000 1.121 219 H CB 0.950 30.521 29.762 -0.318 0.000 1.590 219 H HN 0.350 nan 8.280 nan 0.000 0.553 220 D N 0.090 120.485 120.400 -0.008 0.000 2.469 220 D HA 0.408 5.041 4.640 -0.011 0.000 0.251 220 D C 1.127 177.432 176.300 0.009 0.000 1.173 220 D CA -0.328 53.680 54.000 0.013 0.000 0.882 220 D CB 1.172 41.987 40.800 0.025 0.000 1.129 220 D HN 0.084 nan 8.370 nan 0.000 0.549 221 A N 3.678 126.506 122.820 0.013 0.000 1.892 221 A HA -0.134 4.179 4.320 -0.011 0.000 0.218 221 A C 2.191 179.802 177.584 0.045 0.000 1.188 221 A CA 2.148 54.200 52.037 0.026 0.000 0.631 221 A CB -0.863 18.148 19.000 0.017 0.000 0.822 221 A HN 0.672 nan 8.150 nan 0.000 0.447 222 A N -1.043 121.800 122.820 0.039 0.000 1.883 222 A HA -0.136 4.177 4.320 -0.011 0.000 0.217 222 A C 2.503 180.118 177.584 0.052 0.000 1.186 222 A CA 2.334 54.399 52.037 0.046 0.000 0.624 222 A CB -1.060 17.962 19.000 0.036 0.000 0.822 222 A HN 0.595 nan 8.150 nan 0.000 0.444 223 S N -0.497 115.226 115.700 0.039 0.000 2.356 223 S HA -0.135 4.328 4.470 -0.011 0.000 0.223 223 S C 1.900 176.527 174.600 0.045 0.000 1.032 223 S CA 1.532 59.752 58.200 0.034 0.000 1.005 223 S CB -0.535 62.675 63.200 0.017 0.000 0.867 223 S HN 0.473 nan 8.310 nan 0.000 0.449 224 I N 1.280 121.882 120.570 0.052 0.000 2.179 224 I HA -0.170 3.993 4.170 -0.011 0.000 0.242 224 I C 2.598 178.787 176.117 0.120 0.000 1.088 224 I CA 1.535 62.887 61.300 0.087 0.000 1.357 224 I CB -0.353 37.698 38.000 0.084 0.000 1.051 224 I HN 0.302 nan 8.210 nan 0.000 0.409 225 K N 1.132 121.619 120.400 0.146 0.000 2.032 225 K HA -0.242 4.072 4.320 -0.011 0.000 0.209 225 K C 2.414 179.117 176.600 0.172 0.000 1.048 225 K CA 1.500 57.927 56.287 0.233 0.000 0.927 225 K CB -0.130 32.507 32.500 0.227 0.000 0.712 225 K HN 0.100 nan 8.250 nan 0.000 0.441 226 R N 0.031 120.600 120.500 0.114 0.000 2.091 226 R HA -0.157 4.177 4.340 -0.011 0.000 0.238 226 R C 2.130 178.465 176.300 0.058 0.000 1.136 226 R CA 1.535 57.687 56.100 0.086 0.000 0.959 226 R CB -0.334 30.005 30.300 0.065 0.000 0.856 226 R HN 0.320 nan 8.270 nan 0.000 0.437 227 A N 0.078 122.924 122.820 0.042 0.000 1.898 227 A HA -0.086 4.228 4.320 -0.011 0.000 0.216 227 A C 2.244 179.807 177.584 -0.035 0.000 1.181 227 A CA 1.477 53.523 52.037 0.016 0.000 0.620 227 A CB -0.414 18.591 19.000 0.008 0.000 0.819 227 A HN 0.229 nan 8.150 nan 0.000 0.442 228 V N 0.126 119.985 119.914 -0.092 0.000 2.343 228 V HA -0.270 3.844 4.120 -0.011 0.000 0.247 228 V C 2.365 178.295 176.094 -0.273 0.000 1.051 228 V CA 2.261 64.387 62.300 -0.289 0.000 1.036 228 V CB -0.921 30.502 31.823 -0.666 0.000 0.654 228 V HN 0.638 nan 8.190 nan 0.000 0.451 229 E N -0.042 120.090 120.200 -0.114 0.000 2.085 229 E HA -0.284 4.059 4.350 -0.011 0.000 0.194 229 E C 2.295 178.902 176.600 0.012 0.000 0.994 229 E CA 1.546 57.961 56.400 0.026 0.000 0.801 229 E CB -0.162 29.620 29.700 0.138 0.000 0.743 229 E HN 0.697 nan 8.360 nan 0.000 0.453 230 E N 0.539 120.751 120.200 0.021 0.000 2.077 230 E HA -0.212 4.131 4.350 -0.011 0.000 0.193 230 E C 2.055 178.654 176.600 -0.001 0.000 0.989 230 E CA 0.987 57.408 56.400 0.035 0.000 0.800 230 E CB -0.065 29.693 29.700 0.098 0.000 0.746 230 E HN 0.230 nan 8.360 nan 0.000 0.452 231 A N 1.195 124.025 122.820 0.017 0.000 1.933 231 A HA -0.162 4.151 4.320 -0.011 0.000 0.218 231 A C 2.143 179.721 177.584 -0.010 0.000 1.175 231 A CA 1.425 53.473 52.037 0.017 0.000 0.628 231 A CB -0.422 18.580 19.000 0.004 0.000 0.814 231 A HN 0.184 nan 8.150 nan 0.000 0.444 232 R N -0.626 119.860 120.500 -0.023 0.000 2.148 232 R HA 0.036 4.369 4.340 -0.011 0.000 0.227 232 R C 2.181 178.518 176.300 0.061 0.000 1.103 232 R CA 0.934 57.052 56.100 0.031 0.000 0.983 232 R CB -0.305 29.960 30.300 -0.059 0.000 0.874 232 R HN 0.497 nan 8.270 nan 0.000 0.451 233 A N 0.665 123.487 122.820 0.005 0.000 2.119 233 A HA 0.048 4.362 4.320 -0.011 0.000 0.216 233 A C 0.834 178.383 177.584 -0.059 0.000 1.152 233 A CA 0.310 52.342 52.037 -0.008 0.000 0.708 233 A CB 0.417 19.410 19.000 -0.011 0.000 0.805 233 A HN 0.023 nan 8.150 nan 0.000 0.460 234 V N 1.967 121.806 119.914 -0.125 0.000 2.339 234 V HA 0.145 4.258 4.120 -0.011 0.000 0.261 234 V C 1.478 177.511 176.094 -0.101 0.000 1.058 234 V CA 0.703 62.893 62.300 -0.184 0.000 0.897 234 V CB 0.352 31.920 31.823 -0.426 0.000 1.052 234 V HN 0.615 nan 8.190 nan 0.000 0.480 235 T N -0.926 113.583 114.554 -0.075 0.000 3.060 235 T HA 0.002 4.345 4.350 -0.011 0.000 0.249 235 T C 0.860 175.504 174.700 -0.093 0.000 1.079 235 T CA 0.536 62.596 62.100 -0.067 0.000 1.013 235 T CB -0.045 68.795 68.868 -0.046 0.000 0.975 235 T HN 0.675 nan 8.240 nan 0.000 0.518 236 D N 0.274 120.620 120.400 -0.090 0.000 2.431 236 D HA 0.212 4.845 4.640 -0.011 0.000 0.213 236 D C 0.152 176.392 176.300 -0.101 0.000 1.130 236 D CA -0.326 53.621 54.000 -0.088 0.000 0.834 236 D CB 0.209 40.973 40.800 -0.061 0.000 0.985 236 D HN 0.345 nan 8.370 nan 0.000 0.504 237 K N 0.913 121.241 120.400 -0.120 0.000 2.498 237 K HA 0.402 4.715 4.320 -0.011 0.000 0.254 237 K C -2.935 173.517 176.600 -0.246 0.000 0.933 237 K CA -1.895 54.302 56.287 -0.150 0.000 0.806 237 K CB 3.050 35.533 32.500 -0.029 0.000 1.301 237 K HN -0.149 nan 8.250 nan 0.000 0.432 238 P HA 0.069 nan 4.420 nan 0.000 0.272 238 P C -0.828 176.211 177.300 -0.436 0.000 1.223 238 P CA -0.286 62.368 63.100 -0.742 0.000 0.784 238 P CB 0.895 31.630 31.700 -1.609 0.000 0.923 239 S N 1.149 116.773 115.700 -0.127 0.000 2.482 239 S HA 0.519 4.983 4.470 -0.011 0.000 0.303 239 S C -0.528 174.324 174.600 0.420 0.000 1.091 239 S CA -0.512 57.829 58.200 0.235 0.000 1.057 239 S CB 0.891 64.207 63.200 0.193 0.000 1.031 239 S HN 0.376 nan 8.310 nan 0.000 0.485 240 L N 3.578 125.048 121.223 0.412 0.000 2.313 240 L HA 0.628 4.961 4.340 -0.011 0.000 0.283 240 L C -1.768 175.087 176.870 -0.024 0.000 1.013 240 L CA -0.568 54.360 54.840 0.147 0.000 0.816 240 L CB 0.952 42.931 42.059 -0.134 0.000 1.236 240 L HN 0.470 nan 8.230 nan 0.000 0.419 241 L N 6.307 127.472 121.223 -0.095 0.000 2.265 241 L HA 0.454 4.787 4.340 -0.011 0.000 0.289 241 L C -0.188 176.666 176.870 -0.028 0.000 1.033 241 L CA -0.136 54.638 54.840 -0.110 0.000 0.814 241 L CB 1.346 43.254 42.059 -0.253 0.000 1.203 241 L HN 0.536 nan 8.230 nan 0.000 0.423 242 M N 3.176 122.762 119.600 -0.024 0.000 2.557 242 M HA 0.158 4.631 4.480 -0.011 0.000 0.328 242 M C -0.732 175.526 176.300 -0.070 0.000 1.423 242 M CA 0.065 55.364 55.300 -0.003 0.000 1.418 242 M CB -0.088 32.513 32.600 0.001 0.000 1.381 242 M HN 0.474 nan 8.290 nan 0.000 0.467 243 C N 4.604 123.835 119.300 -0.116 0.000 2.225 243 C HA 0.287 4.741 4.460 -0.011 0.000 0.328 243 C C 0.864 175.720 174.990 -0.223 0.000 1.187 243 C CA -1.133 57.799 59.018 -0.144 0.000 1.665 243 C CB -0.335 27.333 27.740 -0.119 0.000 2.253 243 C HN 0.530 nan 8.230 nan 0.000 0.497 244 K N 3.412 123.706 120.400 -0.177 0.000 2.378 244 K HA 0.321 4.634 4.320 -0.011 0.000 0.288 244 K C 0.566 177.050 176.600 -0.193 0.000 1.057 244 K CA 0.391 56.583 56.287 -0.159 0.000 0.971 244 K CB 0.511 32.959 32.500 -0.086 0.000 0.975 244 K HN 0.869 nan 8.250 nan 0.000 0.475 245 T N -0.541 113.913 114.554 -0.167 0.000 2.887 245 T HA 0.673 5.016 4.350 -0.011 0.000 0.292 245 T C 0.096 174.888 174.700 0.153 0.000 1.087 245 T CA -0.923 61.090 62.100 -0.145 0.000 1.009 245 T CB 1.138 69.864 68.868 -0.237 0.000 1.203 245 T HN 0.339 nan 8.240 nan 0.000 0.518 246 I N 1.657 122.523 120.570 0.493 0.000 2.355 246 I HA 0.388 4.552 4.170 -0.011 0.000 0.288 246 I C 0.224 176.503 176.117 0.270 0.000 0.999 246 I CA -1.059 60.440 61.300 0.331 0.000 1.163 246 I CB 1.415 39.610 38.000 0.325 0.000 1.316 246 I HN 0.657 nan 8.210 nan 0.000 0.454 247 I N 6.358 127.025 120.570 0.161 0.000 2.710 247 I HA 0.082 4.245 4.170 -0.011 0.000 0.286 247 I C 1.368 177.556 176.117 0.118 0.000 1.181 247 I CA 1.065 62.447 61.300 0.137 0.000 1.430 247 I CB 0.513 38.588 38.000 0.125 0.000 1.367 247 I HN 0.947 nan 8.210 nan 0.000 0.577 248 G N 5.923 114.790 108.800 0.113 0.000 2.198 248 G HA2 -0.351 3.602 3.960 -0.011 0.000 0.260 248 G HA3 -0.351 3.602 3.960 -0.011 0.000 0.260 248 G C 0.253 175.195 174.900 0.070 0.000 1.025 248 G CA 0.135 45.277 45.100 0.069 0.000 0.769 248 G HN 0.719 nan 8.290 nan 0.000 0.507 249 F N 0.770 120.697 119.950 -0.039 0.000 2.579 249 F HA 0.312 4.832 4.527 -0.012 0.000 0.397 249 F C 1.546 177.279 175.800 -0.112 0.000 1.027 249 F CA 1.994 59.923 58.000 -0.119 0.000 1.217 249 F CB 0.248 39.112 39.000 -0.227 0.000 0.986 249 F HN 1.085 nan 8.300 nan 0.000 0.551 250 G N 2.978 111.440 108.800 -0.564 0.000 2.352 250 G HA2 -0.224 3.729 3.960 -0.011 0.000 0.204 250 G HA3 -0.224 3.729 3.960 -0.011 0.000 0.204 250 G C 0.300 175.067 174.900 -0.221 0.000 1.004 250 G CA -0.028 44.865 45.100 -0.345 0.000 0.648 250 G HN 1.048 nan 8.290 nan 0.000 0.491 251 S N 2.752 118.351 115.700 -0.169 0.000 2.422 251 S HA 0.551 5.014 4.470 -0.011 0.000 0.283 251 S C -0.141 174.383 174.600 -0.125 0.000 1.163 251 S CA -0.577 57.554 58.200 -0.115 0.000 1.054 251 S CB 1.463 64.617 63.200 -0.077 0.000 0.967 251 S HN 0.165 nan 8.310 nan 0.000 0.499 252 P HA -0.082 nan 4.420 nan 0.000 0.216 252 P C 0.611 177.865 177.300 -0.075 0.000 1.150 252 P CA 1.279 64.319 63.100 -0.099 0.000 0.837 252 P CB 0.094 31.748 31.700 -0.077 0.000 0.786 253 N N -0.899 117.764 118.700 -0.063 0.000 2.388 253 N HA 0.044 4.777 4.740 -0.011 0.000 0.176 253 N C 1.325 176.803 175.510 -0.053 0.000 1.062 253 N CA 0.547 53.567 53.050 -0.050 0.000 0.895 253 N CB 0.315 38.777 38.487 -0.041 0.000 1.018 253 N HN 0.293 nan 8.380 nan 0.000 0.456 254 K N 0.328 120.693 120.400 -0.059 0.000 2.412 254 K HA 0.310 4.623 4.320 -0.011 0.000 0.202 254 K C 0.321 176.891 176.600 -0.051 0.000 1.102 254 K CA -0.205 56.045 56.287 -0.062 0.000 1.027 254 K CB 1.172 33.637 32.500 -0.058 0.000 0.931 254 K HN -0.039 nan 8.250 nan 0.000 0.557 255 A N 1.073 123.859 122.820 -0.056 0.000 2.540 255 A HA 0.362 4.675 4.320 -0.011 0.000 0.239 255 A C 1.215 178.790 177.584 -0.015 0.000 1.061 255 A CA 1.043 53.056 52.037 -0.042 0.000 0.758 255 A CB -0.548 18.390 19.000 -0.104 0.000 0.991 255 A HN 0.543 nan 8.150 nan 0.000 0.502 256 G N 1.418 110.231 108.800 0.021 0.000 2.155 256 G HA2 -0.125 3.828 3.960 -0.011 0.000 0.257 256 G HA3 -0.125 3.828 3.960 -0.011 0.000 0.257 256 G C 0.455 175.358 174.900 0.006 0.000 0.983 256 G CA 1.346 46.470 45.100 0.040 0.000 0.676 256 G HN 2.364 nan 8.290 nan 0.000 0.528 257 T N -3.283 111.253 114.554 -0.030 0.000 2.908 257 T HA 0.622 4.966 4.350 -0.011 0.000 0.290 257 T C 1.380 176.026 174.700 -0.091 0.000 1.034 257 T CA 0.244 62.282 62.100 -0.102 0.000 1.010 257 T CB 1.362 70.130 68.868 -0.166 0.000 1.068 257 T HN 0.674 nan 8.240 nan 0.000 0.481 258 H N 0.992 120.049 119.070 -0.022 0.000 2.489 258 H HA -0.062 4.490 4.556 -0.008 0.000 0.293 258 H C 0.527 175.898 175.328 0.072 0.000 1.066 258 H CA 1.592 57.658 56.048 0.029 0.000 1.305 258 H CB -0.474 29.293 29.762 0.008 0.000 1.386 258 H HN 0.691 nan 8.280 nan 0.000 0.551 259 D N 1.302 121.431 120.400 -0.452 0.000 2.221 259 D HA -0.153 4.480 4.640 -0.011 0.000 0.204 259 D C 2.242 178.517 176.300 -0.043 0.000 0.982 259 D CA 1.998 55.869 54.000 -0.214 0.000 0.857 259 D CB -0.046 40.602 40.800 -0.253 0.000 0.934 259 D HN 0.577 nan 8.370 nan 0.000 0.475 260 S N -1.003 114.689 115.700 -0.014 0.000 2.558 260 S HA -0.064 4.399 4.470 -0.011 0.000 0.217 260 S C 1.706 176.353 174.600 0.079 0.000 0.975 260 S CA 0.190 58.403 58.200 0.021 0.000 0.912 260 S CB -0.268 62.943 63.200 0.018 0.000 0.776 260 S HN 0.396 nan 8.310 nan 0.000 0.526 261 H N 2.181 121.288 119.070 0.062 0.000 2.293 261 H HA 0.142 4.692 4.556 -0.009 0.000 0.300 261 H C 1.557 176.975 175.328 0.150 0.000 1.082 261 H CA 2.023 58.148 56.048 0.128 0.000 1.308 261 H CB -0.571 29.268 29.762 0.128 0.000 1.375 261 H HN 0.468 nan 8.280 nan 0.000 0.495 262 G N -1.553 107.162 108.800 -0.141 0.000 4.530 262 G HA2 0.577 4.530 3.960 -0.011 0.000 0.284 262 G HA3 0.577 4.530 3.960 -0.011 0.000 0.284 262 G C -0.796 173.911 174.900 -0.322 0.000 1.008 262 G CA 0.260 45.094 45.100 -0.444 0.000 0.770 262 G HN 0.655 nan 8.290 nan 0.000 0.424 263 A N 0.188 122.911 122.820 -0.162 0.000 2.572 263 A HA 0.900 5.214 4.320 -0.011 0.000 0.295 263 A C -3.106 174.441 177.584 -0.062 0.000 1.072 263 A CA -1.404 50.572 52.037 -0.101 0.000 0.691 263 A CB 1.458 20.433 19.000 -0.042 0.000 1.291 263 A HN -0.014 nan 8.150 nan 0.000 0.404 264 P HA 0.100 nan 4.420 nan 0.000 0.265 264 P C 0.777 178.066 177.300 -0.019 0.000 1.187 264 P CA 0.072 63.164 63.100 -0.013 0.000 0.766 264 P CB 0.392 32.094 31.700 0.004 0.000 0.820 265 L N 1.465 122.676 121.223 -0.021 0.000 2.201 265 L HA 0.058 4.392 4.340 -0.011 0.000 0.212 265 L C 1.222 178.080 176.870 -0.020 0.000 1.105 265 L CA 1.231 56.055 54.840 -0.026 0.000 0.775 265 L CB -1.006 41.034 42.059 -0.033 0.000 0.913 265 L HN 0.742 nan 8.230 nan 0.000 0.440 266 G N -0.326 108.466 108.800 -0.013 0.000 2.675 266 G HA2 -0.183 3.771 3.960 -0.011 0.000 0.686 266 G HA3 -0.183 3.771 3.960 -0.011 0.000 0.686 266 G C -0.222 174.673 174.900 -0.009 0.000 1.215 266 G CA -0.302 44.794 45.100 -0.008 0.000 0.777 266 G HN 0.038 nan 8.290 nan 0.000 0.638 267 D N 0.516 120.915 120.400 -0.002 0.000 2.117 267 D HA -0.078 4.556 4.640 -0.011 0.000 0.197 267 D C 2.789 179.086 176.300 -0.006 0.000 0.987 267 D CA 2.166 56.165 54.000 -0.001 0.000 0.829 267 D CB -0.384 40.420 40.800 0.006 0.000 0.961 267 D HN 0.899 nan 8.370 nan 0.000 0.460 268 A N 0.913 123.729 122.820 -0.007 0.000 1.877 268 A HA -0.223 4.090 4.320 -0.011 0.000 0.216 268 A C 2.167 179.742 177.584 -0.015 0.000 1.186 268 A CA 1.941 53.972 52.037 -0.009 0.000 0.620 268 A CB -0.531 18.463 19.000 -0.009 0.000 0.822 268 A HN 0.137 nan 8.150 nan 0.000 0.443 269 E N 0.121 120.310 120.200 -0.019 0.000 2.106 269 E HA -0.094 4.250 4.350 -0.011 0.000 0.192 269 E C 1.697 178.280 176.600 -0.029 0.000 0.984 269 E CA 1.123 57.507 56.400 -0.026 0.000 0.806 269 E CB -0.376 29.306 29.700 -0.030 0.000 0.750 269 E HN 0.641 nan 8.360 nan 0.000 0.458 270 I N 0.237 120.792 120.570 -0.026 0.000 2.226 270 I HA -0.288 3.875 4.170 -0.011 0.000 0.245 270 I C 2.306 178.414 176.117 -0.015 0.000 1.100 270 I CA 1.047 62.330 61.300 -0.029 0.000 1.374 270 I CB -0.384 37.597 38.000 -0.032 0.000 1.057 270 I HN 0.191 nan 8.210 nan 0.000 0.413 271 A N 0.882 123.696 122.820 -0.009 0.000 1.902 271 A HA -0.169 4.144 4.320 -0.011 0.000 0.217 271 A C 2.277 179.858 177.584 -0.006 0.000 1.181 271 A CA 1.431 53.467 52.037 -0.002 0.000 0.623 271 A CB -0.824 18.174 19.000 -0.004 0.000 0.818 271 A HN 0.396 nan 8.150 nan 0.000 0.443 272 L N -0.812 120.401 121.223 -0.016 0.000 2.141 272 L HA -0.132 4.201 4.340 -0.011 0.000 0.209 272 L C 2.705 179.557 176.870 -0.029 0.000 1.094 272 L CA 1.581 56.406 54.840 -0.024 0.000 0.763 272 L CB -0.741 41.299 42.059 -0.031 0.000 0.908 272 L HN 0.351 nan 8.230 nan 0.000 0.437 273 T N -0.865 113.670 114.554 -0.031 0.000 2.777 273 T HA -0.137 4.206 4.350 -0.011 0.000 0.266 273 T C 2.037 176.736 174.700 -0.002 0.000 1.040 273 T CA 0.968 63.045 62.100 -0.038 0.000 1.141 273 T CB -0.118 68.719 68.868 -0.050 0.000 0.868 273 T HN 0.250 nan 8.240 nan 0.000 0.444 274 R N 0.794 121.313 120.500 0.030 0.000 2.103 274 R HA -0.141 4.193 4.340 -0.011 0.000 0.242 274 R C 2.581 178.925 176.300 0.073 0.000 1.142 274 R CA 1.701 57.863 56.100 0.103 0.000 0.960 274 R CB -0.221 30.148 30.300 0.116 0.000 0.858 274 R HN 0.563 nan 8.270 nan 0.000 0.439 275 E N 0.741 120.955 120.200 0.024 0.000 2.051 275 E HA -0.279 4.065 4.350 -0.011 0.000 0.192 275 E C 2.087 178.687 176.600 0.000 0.000 0.991 275 E CA 1.354 57.757 56.400 0.005 0.000 0.799 275 E CB 0.037 29.731 29.700 -0.011 0.000 0.748 275 E HN 0.306 nan 8.360 nan 0.000 0.449 276 Q N 0.174 119.964 119.800 -0.017 0.000 2.084 276 Q HA -0.134 4.199 4.340 -0.011 0.000 0.202 276 Q C 2.188 178.179 176.000 -0.014 0.000 0.978 276 Q CA 1.356 57.134 55.803 -0.042 0.000 0.844 276 Q CB 0.003 28.685 28.738 -0.095 0.000 0.898 276 Q HN 0.386 nan 8.270 nan 0.000 0.426 277 L N -0.764 120.475 121.223 0.028 0.000 2.478 277 L HA 0.125 4.458 4.340 -0.011 0.000 0.223 277 L C 1.199 178.153 176.870 0.140 0.000 1.140 277 L CA 0.418 55.316 54.840 0.097 0.000 0.842 277 L CB -0.183 41.953 42.059 0.127 0.000 0.953 277 L HN 0.539 nan 8.230 nan 0.000 0.452 278 G N -0.403 108.458 108.800 0.101 0.000 2.249 278 G HA2 -0.293 3.661 3.960 -0.011 0.000 0.273 278 G HA3 -0.293 3.661 3.960 -0.011 0.000 0.273 278 G C -0.086 174.881 174.900 0.111 0.000 1.036 278 G CA -0.139 45.005 45.100 0.074 0.000 0.824 278 G HN 0.464 nan 8.290 nan 0.000 0.504 279 W N 1.386 122.662 121.300 -0.039 0.000 2.342 279 W HA 0.472 5.126 4.660 -0.010 0.000 0.310 279 W C 0.869 177.312 176.519 -0.127 0.000 1.128 279 W CA -0.505 56.816 57.345 -0.039 0.000 1.322 279 W CB 0.520 29.988 29.460 0.014 0.000 1.251 279 W HN 0.325 nan 8.180 nan 0.000 0.439 280 K N 4.774 124.697 120.400 -0.796 0.000 2.437 280 K HA 0.084 4.397 4.320 -0.011 0.000 0.205 280 K C -1.003 175.060 176.600 -0.895 0.000 1.026 280 K CA -0.115 55.731 56.287 -0.736 0.000 1.153 280 K CB 0.010 32.106 32.500 -0.673 0.000 0.863 280 K HN 0.208 nan 8.250 nan 0.000 0.502 281 Y N 1.220 121.123 120.300 -0.662 0.000 2.420 281 Y HA 0.487 5.030 4.550 -0.011 0.000 0.334 281 Y C 0.656 176.544 175.900 -0.020 0.000 1.094 281 Y CA -1.262 56.629 58.100 -0.349 0.000 1.126 281 Y CB 1.335 39.524 38.460 -0.452 0.000 1.217 281 Y HN 0.076 nan 8.280 nan 0.000 0.462 282 A N 3.346 126.266 122.820 0.166 0.000 2.346 282 A HA 0.450 4.764 4.320 -0.011 0.000 0.252 282 A C -2.529 175.123 177.584 0.114 0.000 1.089 282 A CA -1.568 50.542 52.037 0.122 0.000 0.797 282 A CB -0.501 18.559 19.000 0.100 0.000 1.047 282 A HN 0.535 nan 8.150 nan 0.000 0.494 283 P HA 0.203 nan 4.420 nan 0.000 0.262 283 P C -0.487 176.702 177.300 -0.184 0.000 1.182 283 P CA 0.684 63.603 63.100 -0.302 0.000 0.761 283 P CB -0.247 31.257 31.700 -0.327 0.000 0.795 284 F N -0.425 119.577 119.950 0.088 0.000 2.884 284 F HA -0.212 4.308 4.527 -0.012 0.000 0.294 284 F C 0.642 176.498 175.800 0.092 0.000 0.723 284 F CA 0.656 58.688 58.000 0.055 0.000 1.294 284 F CB -2.154 36.859 39.000 0.022 0.000 1.551 284 F HN 0.334 nan 8.300 nan 0.000 0.363 285 E N 1.853 122.175 120.200 0.202 0.000 2.134 285 E HA 0.558 4.901 4.350 -0.011 0.000 0.278 285 E C -0.621 176.029 176.600 0.083 0.000 0.959 285 E CA -0.475 56.022 56.400 0.162 0.000 0.783 285 E CB 0.770 30.570 29.700 0.166 0.000 1.095 285 E HN 0.168 nan 8.360 nan 0.000 0.399 286 I N 6.814 127.380 120.570 -0.006 0.000 2.447 286 I HA 0.319 4.482 4.170 -0.011 0.000 0.287 286 I C -2.183 173.763 176.117 -0.286 0.000 1.023 286 I CA -2.505 58.649 61.300 -0.243 0.000 1.083 286 I CB 1.312 39.032 38.000 -0.468 0.000 1.245 286 I HN 0.489 nan 8.210 nan 0.000 0.434 287 P HA 0.150 nan 4.420 nan 0.000 0.274 287 P C 0.872 178.138 177.300 -0.055 0.000 1.237 287 P CA -0.181 62.737 63.100 -0.303 0.000 0.793 287 P CB 0.912 32.323 31.700 -0.482 0.000 0.977 288 S N 1.150 116.892 115.700 0.071 0.000 2.383 288 S HA -0.225 4.239 4.470 -0.011 0.000 0.229 288 S C 1.541 176.219 174.600 0.130 0.000 1.030 288 S CA 1.317 59.615 58.200 0.163 0.000 1.002 288 S CB -0.990 62.272 63.200 0.103 0.000 0.829 288 S HN 0.651 nan 8.310 nan 0.000 0.467 289 E N 1.798 122.035 120.200 0.060 0.000 2.153 289 E HA -0.118 4.225 4.350 -0.011 0.000 0.194 289 E C 2.138 178.782 176.600 0.073 0.000 0.988 289 E CA 1.178 57.613 56.400 0.057 0.000 0.811 289 E CB -0.650 29.073 29.700 0.037 0.000 0.746 289 E HN 0.651 nan 8.360 nan 0.000 0.466 290 I N -0.003 120.597 120.570 0.049 0.000 2.286 290 I HA -0.221 3.943 4.170 -0.011 0.000 0.245 290 I C 2.292 178.528 176.117 0.199 0.000 1.104 290 I CA 0.925 62.288 61.300 0.104 0.000 1.397 290 I CB -0.372 37.666 38.000 0.064 0.000 1.072 290 I HN -0.059 nan 8.210 nan 0.000 0.417 291 Y N 1.120 121.517 120.300 0.163 0.000 2.165 291 Y HA -0.269 4.274 4.550 -0.011 0.000 0.286 291 Y C 2.697 178.681 175.900 0.141 0.000 1.155 291 Y CA 1.294 59.484 58.100 0.150 0.000 1.164 291 Y CB -0.985 37.513 38.460 0.064 0.000 0.978 291 Y HN 0.135 nan 8.280 nan 0.000 0.513 292 A N -0.166 122.805 122.820 0.251 0.000 1.908 292 A HA -0.278 4.036 4.320 -0.011 0.000 0.218 292 A C 2.072 179.725 177.584 0.115 0.000 1.181 292 A CA 2.062 54.187 52.037 0.146 0.000 0.627 292 A CB -0.684 18.372 19.000 0.094 0.000 0.818 292 A HN 0.589 nan 8.150 nan 0.000 0.445 293 Q N -2.614 117.244 119.800 0.096 0.000 2.311 293 Q HA -0.102 4.232 4.340 -0.011 0.000 0.203 293 Q C 1.732 177.723 176.000 -0.016 0.000 0.954 293 Q CA 0.958 56.760 55.803 -0.002 0.000 0.885 293 Q CB -0.101 28.588 28.738 -0.081 0.000 0.963 293 Q HN 0.887 nan 8.270 nan 0.000 0.471 294 W N 1.269 122.618 121.300 0.082 0.000 2.576 294 W HA 0.024 4.677 4.660 -0.011 0.000 0.275 294 W C 0.380 176.977 176.519 0.129 0.000 1.241 294 W CA -0.353 57.054 57.345 0.103 0.000 1.328 294 W CB 0.408 29.923 29.460 0.092 0.000 1.092 294 W HN 0.013 nan 8.180 nan 0.000 0.586 295 D N -0.266 120.341 120.400 0.344 0.000 2.455 295 D HA 0.207 4.841 4.640 -0.011 0.000 0.241 295 D C 0.737 177.132 176.300 0.158 0.000 1.138 295 D CA 0.559 54.697 54.000 0.230 0.000 0.877 295 D CB 1.288 42.172 40.800 0.140 0.000 1.187 295 D HN 0.035 nan 8.370 nan 0.000 0.451 296 A N 3.738 126.630 122.820 0.119 0.000 2.538 296 A HA 0.102 4.416 4.320 -0.011 0.000 0.269 296 A C 1.618 179.139 177.584 -0.104 0.000 1.231 296 A CA -0.298 51.746 52.037 0.012 0.000 0.948 296 A CB 0.100 19.097 19.000 -0.004 0.000 1.110 296 A HN 0.577 nan 8.150 nan 0.000 0.529 297 K N 0.350 120.702 120.400 -0.081 0.000 2.026 297 K HA -0.190 4.123 4.320 -0.011 0.000 0.208 297 K C 1.844 178.380 176.600 -0.107 0.000 1.048 297 K CA 1.690 57.905 56.287 -0.119 0.000 0.929 297 K CB 0.020 32.463 32.500 -0.095 0.000 0.713 297 K HN 0.692 nan 8.250 nan 0.000 0.439 298 E N 0.796 120.953 120.200 -0.071 0.000 2.028 298 E HA -0.164 4.179 4.350 -0.011 0.000 0.191 298 E C 2.031 178.589 176.600 -0.069 0.000 0.988 298 E CA 0.995 57.358 56.400 -0.062 0.000 0.799 298 E CB -0.052 29.625 29.700 -0.038 0.000 0.755 298 E HN 0.280 nan 8.360 nan 0.000 0.447 299 A N 0.789 123.573 122.820 -0.060 0.000 1.902 299 A HA -0.110 4.203 4.320 -0.011 0.000 0.217 299 A C 2.405 179.938 177.584 -0.085 0.000 1.181 299 A CA 1.833 53.839 52.037 -0.053 0.000 0.623 299 A CB -1.241 17.741 19.000 -0.029 0.000 0.818 299 A HN 0.470 nan 8.150 nan 0.000 0.443 300 G N -1.217 107.498 108.800 -0.140 0.000 2.402 300 G HA2 -0.229 3.725 3.960 -0.011 0.000 0.216 300 G HA3 -0.229 3.725 3.960 -0.011 0.000 0.216 300 G C 1.625 176.379 174.900 -0.243 0.000 1.162 300 G CA 1.264 46.246 45.100 -0.196 0.000 0.777 300 G HN 0.510 nan 8.290 nan 0.000 0.539 301 Q N 0.705 120.383 119.800 -0.202 0.000 2.119 301 Q HA 0.150 4.483 4.340 -0.011 0.000 0.201 301 Q C 2.674 178.562 176.000 -0.186 0.000 0.972 301 Q CA 1.718 57.398 55.803 -0.205 0.000 0.847 301 Q CB -0.626 28.024 28.738 -0.146 0.000 0.903 301 Q HN 0.374 nan 8.270 nan 0.000 0.433 302 A N 0.329 123.072 122.820 -0.129 0.000 1.902 302 A HA -0.210 4.104 4.320 -0.011 0.000 0.217 302 A C 1.966 179.499 177.584 -0.086 0.000 1.181 302 A CA 1.753 53.739 52.037 -0.085 0.000 0.623 302 A CB -0.389 18.582 19.000 -0.048 0.000 0.818 302 A HN 0.374 nan 8.150 nan 0.000 0.443 303 K N -0.671 119.664 120.400 -0.108 0.000 2.057 303 K HA -0.133 4.180 4.320 -0.011 0.000 0.206 303 K C 2.149 178.596 176.600 -0.255 0.000 1.050 303 K CA 1.440 57.697 56.287 -0.051 0.000 0.935 303 K CB -0.123 32.424 32.500 0.079 0.000 0.715 303 K HN 0.678 nan 8.250 nan 0.000 0.439 304 E N 0.624 120.388 120.200 -0.726 0.000 2.106 304 E HA -0.139 4.204 4.350 -0.011 0.000 0.192 304 E C 1.775 178.162 176.600 -0.354 0.000 0.984 304 E CA 1.111 56.839 56.400 -1.119 0.000 0.806 304 E CB 0.165 29.037 29.700 -1.380 0.000 0.750 304 E HN 0.103 nan 8.360 nan 0.000 0.458 305 S N 0.360 115.929 115.700 -0.217 0.000 2.368 305 S HA -0.162 4.302 4.470 -0.011 0.000 0.225 305 S C 2.017 176.620 174.600 0.006 0.000 1.030 305 S CA 0.958 59.111 58.200 -0.078 0.000 0.999 305 S CB -0.255 62.902 63.200 -0.071 0.000 0.844 305 S HN 0.485 nan 8.310 nan 0.000 0.459 306 A N 0.376 123.212 122.820 0.027 0.000 1.908 306 A HA -0.183 4.130 4.320 -0.011 0.000 0.218 306 A C 1.847 179.526 177.584 0.159 0.000 1.181 306 A CA 1.604 53.692 52.037 0.085 0.000 0.627 306 A CB -1.079 17.982 19.000 0.103 0.000 0.818 306 A HN 0.727 nan 8.150 nan 0.000 0.445 307 W N 1.375 122.723 121.300 0.080 0.000 2.358 307 W HA -0.172 4.482 4.660 -0.011 0.000 0.303 307 W C 1.827 178.456 176.519 0.184 0.000 1.208 307 W CA 1.828 59.295 57.345 0.204 0.000 1.274 307 W CB -0.192 29.540 29.460 0.453 0.000 1.138 307 W HN 0.356 nan 8.180 nan 0.000 0.515 308 N N 0.644 119.470 118.700 0.210 0.000 2.149 308 N HA -0.205 4.528 4.740 -0.011 0.000 0.188 308 N C 1.460 176.955 175.510 -0.026 0.000 1.019 308 N CA 2.149 55.238 53.050 0.065 0.000 0.857 308 N CB -0.699 37.856 38.487 0.114 0.000 0.997 308 N HN 0.448 nan 8.380 nan 0.000 0.426 309 E N 0.743 120.937 120.200 -0.010 0.000 2.072 309 E HA -0.079 4.264 4.350 -0.011 0.000 0.191 309 E C 1.837 178.410 176.600 -0.045 0.000 0.985 309 E CA 0.817 57.209 56.400 -0.013 0.000 0.801 309 E CB 0.029 29.732 29.700 0.005 0.000 0.750 309 E HN 0.344 nan 8.360 nan 0.000 0.452 310 K N 0.214 120.558 120.400 -0.092 0.000 2.057 310 K HA -0.160 4.153 4.320 -0.011 0.000 0.207 310 K C 2.006 178.508 176.600 -0.162 0.000 1.049 310 K CA 1.159 57.379 56.287 -0.112 0.000 0.931 310 K CB -0.232 32.181 32.500 -0.144 0.000 0.714 310 K HN 0.076 nan 8.250 nan 0.000 0.440 311 F N 1.555 121.172 119.950 -0.555 0.000 2.186 311 F HA -0.161 4.359 4.527 -0.011 0.000 0.299 311 F C 2.168 177.877 175.800 -0.153 0.000 1.090 311 F CA 1.208 58.898 58.000 -0.518 0.000 1.307 311 F CB -0.285 38.147 39.000 -0.948 0.000 1.019 311 F HN -0.026 nan 8.300 nan 0.000 0.489 312 A N 0.364 123.134 122.820 -0.083 0.000 1.908 312 A HA -0.112 4.201 4.320 -0.011 0.000 0.218 312 A C 2.419 179.937 177.584 -0.110 0.000 1.181 312 A CA 1.897 53.886 52.037 -0.080 0.000 0.627 312 A CB -1.561 17.437 19.000 -0.004 0.000 0.818 312 A HN 0.476 nan 8.150 nan 0.000 0.445 313 A N -1.577 121.218 122.820 -0.042 0.000 1.902 313 A HA -0.104 4.210 4.320 -0.011 0.000 0.217 313 A C 2.137 179.731 177.584 0.016 0.000 1.181 313 A CA 1.662 53.719 52.037 0.034 0.000 0.623 313 A CB -0.839 18.233 19.000 0.121 0.000 0.818 313 A HN 0.747 nan 8.150 nan 0.000 0.443 314 Y N 0.762 120.954 120.300 -0.181 0.000 2.128 314 Y HA -0.157 4.386 4.550 -0.011 0.000 0.284 314 Y C 2.604 178.268 175.900 -0.393 0.000 1.154 314 Y CA 1.455 59.314 58.100 -0.401 0.000 1.149 314 Y CB -0.526 37.690 38.460 -0.407 0.000 0.976 314 Y HN 0.299 nan 8.280 nan 0.000 0.505 315 A N 0.394 122.941 122.820 -0.454 0.000 1.972 315 A HA -0.161 4.153 4.320 -0.011 0.000 0.219 315 A C 2.219 179.622 177.584 -0.302 0.000 1.169 315 A CA 1.698 53.473 52.037 -0.436 0.000 0.635 315 A CB -0.502 18.262 19.000 -0.393 0.000 0.810 315 A HN 0.523 nan 8.150 nan 0.000 0.446 316 K N -0.377 119.878 120.400 -0.243 0.000 2.057 316 K HA -0.067 4.246 4.320 -0.011 0.000 0.207 316 K C 2.241 178.677 176.600 -0.273 0.000 1.049 316 K CA 1.256 57.426 56.287 -0.195 0.000 0.931 316 K CB -0.271 32.153 32.500 -0.126 0.000 0.714 316 K HN 0.444 nan 8.250 nan 0.000 0.440 317 A N 0.179 122.769 122.820 -0.383 0.000 1.975 317 A HA -0.048 4.265 4.320 -0.011 0.000 0.215 317 A C 0.337 177.373 177.584 -0.914 0.000 1.170 317 A CA 0.845 52.520 52.037 -0.603 0.000 0.656 317 A CB 0.004 18.618 19.000 -0.643 0.000 0.821 317 A HN 0.283 nan 8.150 nan 0.000 0.449 318 Y N -0.785 119.179 120.300 -0.561 0.000 2.490 318 Y HA 0.274 4.817 4.550 -0.011 0.000 0.346 318 Y C -1.944 173.689 175.900 -0.445 0.000 1.023 318 Y CA -2.139 55.629 58.100 -0.553 0.000 1.142 318 Y CB 0.935 38.868 38.460 -0.878 0.000 1.126 318 Y HN 0.188 nan 8.280 nan 0.000 0.647 319 P HA -0.191 nan 4.420 nan 0.000 0.216 319 P C 0.997 178.283 177.300 -0.023 0.000 1.153 319 P CA 1.619 64.650 63.100 -0.115 0.000 0.848 319 P CB 0.578 32.221 31.700 -0.095 0.000 0.787 320 Q N -0.103 119.699 119.800 0.002 0.000 2.084 320 Q HA -0.181 4.152 4.340 -0.011 0.000 0.202 320 Q C 2.216 178.297 176.000 0.135 0.000 0.978 320 Q CA 1.523 57.361 55.803 0.059 0.000 0.844 320 Q CB -0.413 28.353 28.738 0.046 0.000 0.898 320 Q HN 0.293 nan 8.270 nan 0.000 0.426 321 E N 0.741 121.026 120.200 0.141 0.000 2.077 321 E HA -0.157 4.186 4.350 -0.011 0.000 0.193 321 E C 1.821 178.723 176.600 0.504 0.000 0.989 321 E CA 1.253 57.840 56.400 0.312 0.000 0.800 321 E CB -0.274 29.551 29.700 0.209 0.000 0.746 321 E HN 0.384 nan 8.360 nan 0.000 0.452 322 A N 1.049 124.035 122.820 0.277 0.000 1.902 322 A HA -0.072 4.241 4.320 -0.011 0.000 0.217 322 A C 2.375 180.232 177.584 0.455 0.000 1.181 322 A CA 1.784 54.047 52.037 0.376 0.000 0.623 322 A CB -0.868 18.086 19.000 -0.077 0.000 0.818 322 A HN 0.284 nan 8.150 nan 0.000 0.443 323 A N -0.483 122.503 122.820 0.277 0.000 1.908 323 A HA -0.169 4.144 4.320 -0.011 0.000 0.218 323 A C 1.976 179.705 177.584 0.241 0.000 1.181 323 A CA 1.743 53.919 52.037 0.232 0.000 0.627 323 A CB -0.430 18.654 19.000 0.141 0.000 0.818 323 A HN 0.455 nan 8.150 nan 0.000 0.445 324 E N -1.046 119.329 120.200 0.293 0.000 2.077 324 E HA -0.163 4.180 4.350 -0.011 0.000 0.193 324 E C 1.746 178.501 176.600 0.258 0.000 0.989 324 E CA 1.011 57.591 56.400 0.300 0.000 0.800 324 E CB -0.452 29.492 29.700 0.407 0.000 0.746 324 E HN 0.681 nan 8.360 nan 0.000 0.452 325 F N 1.889 121.894 119.950 0.092 0.000 2.095 325 F HA -0.227 4.294 4.527 -0.011 0.000 0.298 325 F C 2.387 178.113 175.800 -0.123 0.000 1.104 325 F CA 1.869 59.666 58.000 -0.338 0.000 1.232 325 F CB -0.429 38.390 39.000 -0.301 0.000 0.987 325 F HN -0.059 nan 8.300 nan 0.000 0.475 326 T N 0.660 115.313 114.554 0.165 0.000 2.708 326 T HA -0.217 4.126 4.350 -0.011 0.000 0.266 326 T C 2.092 176.751 174.700 -0.068 0.000 1.037 326 T CA 1.579 63.701 62.100 0.036 0.000 1.146 326 T CB -0.390 68.592 68.868 0.189 0.000 0.865 326 T HN 0.252 nan 8.240 nan 0.000 0.435 327 R N 0.948 121.441 120.500 -0.011 0.000 2.094 327 R HA -0.100 4.233 4.340 -0.011 0.000 0.239 327 R C 2.558 178.793 176.300 -0.108 0.000 1.137 327 R CA 1.566 57.644 56.100 -0.037 0.000 0.943 327 R CB -0.105 30.197 30.300 0.004 0.000 0.850 327 R HN 0.314 nan 8.270 nan 0.000 0.433 328 R N -0.575 119.832 120.500 -0.154 0.000 2.092 328 R HA -0.035 4.299 4.340 -0.011 0.000 0.231 328 R C 2.355 178.478 176.300 -0.295 0.000 1.119 328 R CA 1.379 57.352 56.100 -0.212 0.000 0.970 328 R CB -0.144 30.028 30.300 -0.214 0.000 0.864 328 R HN 0.250 nan 8.270 nan 0.000 0.440 329 M N 0.733 120.071 119.600 -0.437 0.000 2.229 329 M HA -0.118 4.355 4.480 -0.011 0.000 0.264 329 M C 1.582 177.738 176.300 -0.240 0.000 1.063 329 M CA 1.587 56.630 55.300 -0.428 0.000 1.114 329 M CB -0.413 31.809 32.600 -0.629 0.000 1.387 329 M HN 0.034 nan 8.290 nan 0.000 0.420 330 K N -0.592 119.699 120.400 -0.181 0.000 2.418 330 K HA 0.147 4.460 4.320 -0.011 0.000 0.195 330 K C 1.032 177.580 176.600 -0.086 0.000 1.035 330 K CA 0.608 56.829 56.287 -0.109 0.000 1.003 330 K CB 0.043 32.497 32.500 -0.076 0.000 0.793 330 K HN 0.525 nan 8.250 nan 0.000 0.494 331 G N 2.432 111.172 108.800 -0.100 0.000 2.153 331 G HA2 -0.283 3.671 3.960 -0.011 0.000 0.252 331 G HA3 -0.283 3.671 3.960 -0.011 0.000 0.252 331 G C -0.395 174.459 174.900 -0.076 0.000 0.994 331 G CA 0.150 45.204 45.100 -0.076 0.000 0.698 331 G HN 0.393 nan 8.290 nan 0.000 0.521 332 E N 0.025 120.179 120.200 -0.077 0.000 2.366 332 E HA 0.445 4.789 4.350 -0.011 0.000 0.266 332 E C 0.887 177.431 176.600 -0.093 0.000 1.051 332 E CA -0.343 56.016 56.400 -0.069 0.000 0.884 332 E CB 0.472 30.144 29.700 -0.048 0.000 1.006 332 E HN 0.167 nan 8.360 nan 0.000 0.417 333 M N 2.180 121.720 119.600 -0.100 0.000 2.288 333 M HA 0.296 4.769 4.480 -0.011 0.000 0.334 333 M C -2.153 174.100 176.300 -0.078 0.000 1.150 333 M CA -2.709 52.504 55.300 -0.145 0.000 1.118 333 M CB -0.335 32.166 32.600 -0.165 0.000 1.501 333 M HN 0.166 nan 8.290 nan 0.000 0.462 334 P HA 0.045 nan 4.420 nan 0.000 0.266 334 P C 0.567 177.887 177.300 0.034 0.000 1.195 334 P CA 0.104 63.201 63.100 -0.006 0.000 0.768 334 P CB 0.324 32.032 31.700 0.013 0.000 0.838 335 S N 1.061 116.776 115.700 0.025 0.000 2.399 335 S HA -0.178 4.286 4.470 -0.011 0.000 0.231 335 S C 1.141 175.759 174.600 0.029 0.000 1.022 335 S CA 1.405 59.619 58.200 0.024 0.000 0.983 335 S CB -0.714 62.495 63.200 0.016 0.000 0.803 335 S HN 0.590 nan 8.310 nan 0.000 0.480 336 D N -0.270 120.148 120.400 0.031 0.000 2.340 336 D HA 0.076 4.709 4.640 -0.011 0.000 0.217 336 D C 1.165 177.460 176.300 -0.008 0.000 1.081 336 D CA -0.484 53.520 54.000 0.007 0.000 0.842 336 D CB -0.721 40.077 40.800 -0.004 0.000 0.934 336 D HN 0.407 nan 8.370 nan 0.000 0.511 337 F N 1.930 121.817 119.950 -0.104 0.000 2.102 337 F HA -0.144 4.376 4.527 -0.011 0.000 0.298 337 F C 1.752 177.462 175.800 -0.150 0.000 1.105 337 F CA 1.750 59.652 58.000 -0.163 0.000 1.239 337 F CB -0.165 38.705 39.000 -0.216 0.000 0.991 337 F HN -0.064 nan 8.300 nan 0.000 0.474 338 D N 0.164 120.505 120.400 -0.098 0.000 2.104 338 D HA -0.225 4.408 4.640 -0.011 0.000 0.194 338 D C 2.215 178.396 176.300 -0.197 0.000 0.994 338 D CA 1.752 55.666 54.000 -0.143 0.000 0.830 338 D CB -0.418 40.371 40.800 -0.017 0.000 0.959 338 D HN 0.309 nan 8.370 nan 0.000 0.452 339 A N 0.110 122.849 122.820 -0.135 0.000 1.902 339 A HA -0.171 4.142 4.320 -0.011 0.000 0.217 339 A C 2.178 179.680 177.584 -0.137 0.000 1.181 339 A CA 1.646 53.620 52.037 -0.104 0.000 0.623 339 A CB -0.493 18.471 19.000 -0.061 0.000 0.818 339 A HN 0.226 nan 8.150 nan 0.000 0.443 340 K N -0.445 119.833 120.400 -0.204 0.000 2.057 340 K HA 0.010 4.324 4.320 -0.011 0.000 0.206 340 K C 2.297 178.765 176.600 -0.220 0.000 1.050 340 K CA 1.013 57.185 56.287 -0.193 0.000 0.935 340 K CB -0.273 32.105 32.500 -0.205 0.000 0.715 340 K HN 0.434 nan 8.250 nan 0.000 0.439 341 A N 1.737 124.268 122.820 -0.482 0.000 1.898 341 A HA -0.174 4.140 4.320 -0.011 0.000 0.216 341 A C 1.855 179.423 177.584 -0.026 0.000 1.181 341 A CA 1.409 53.244 52.037 -0.336 0.000 0.620 341 A CB -0.248 18.242 19.000 -0.849 0.000 0.819 341 A HN 0.160 nan 8.150 nan 0.000 0.442 342 K N -0.518 119.826 120.400 -0.094 0.000 2.063 342 K HA -0.203 4.111 4.320 -0.011 0.000 0.208 342 K C 2.116 178.715 176.600 -0.003 0.000 1.048 342 K CA 1.567 57.836 56.287 -0.030 0.000 0.928 342 K CB -0.142 32.331 32.500 -0.046 0.000 0.713 342 K HN 0.727 nan 8.250 nan 0.000 0.442 343 E N 0.335 120.535 120.200 -0.000 0.000 2.077 343 E HA -0.224 4.120 4.350 -0.011 0.000 0.193 343 E C 1.865 178.508 176.600 0.072 0.000 0.989 343 E CA 1.020 57.433 56.400 0.022 0.000 0.800 343 E CB -0.109 29.601 29.700 0.016 0.000 0.746 343 E HN 0.248 nan 8.360 nan 0.000 0.452 344 F N 1.285 121.214 119.950 -0.035 0.000 2.113 344 F HA -0.117 4.404 4.527 -0.011 0.000 0.297 344 F C 1.930 177.724 175.800 -0.011 0.000 1.103 344 F CA 1.410 59.401 58.000 -0.014 0.000 1.248 344 F CB -0.317 38.695 39.000 0.021 0.000 0.999 344 F HN -0.003 nan 8.300 nan 0.000 0.475 345 I N 0.498 121.000 120.570 -0.113 0.000 2.163 345 I HA -0.348 3.815 4.170 -0.011 0.000 0.243 345 I C 2.703 178.713 176.117 -0.179 0.000 1.085 345 I CA 1.424 62.608 61.300 -0.194 0.000 1.347 345 I CB -0.983 36.999 38.000 -0.031 0.000 1.044 345 I HN 0.259 nan 8.210 nan 0.000 0.408 346 A N 0.436 123.194 122.820 -0.103 0.000 1.933 346 A HA -0.271 4.043 4.320 -0.011 0.000 0.218 346 A C 2.372 179.896 177.584 -0.100 0.000 1.175 346 A CA 1.974 53.962 52.037 -0.081 0.000 0.628 346 A CB -0.536 18.437 19.000 -0.045 0.000 0.814 346 A HN 0.373 nan 8.150 nan 0.000 0.444 347 K N -0.253 120.075 120.400 -0.121 0.000 2.057 347 K HA -0.063 4.250 4.320 -0.011 0.000 0.207 347 K C 1.848 178.350 176.600 -0.163 0.000 1.049 347 K CA 1.348 57.567 56.287 -0.114 0.000 0.931 347 K CB -0.311 32.145 32.500 -0.074 0.000 0.714 347 K HN 0.491 nan 8.250 nan 0.000 0.440 348 L N 0.547 121.598 121.223 -0.286 0.000 2.046 348 L HA -0.194 4.139 4.340 -0.011 0.000 0.208 348 L C 2.717 179.496 176.870 -0.152 0.000 1.077 348 L CA 1.201 55.882 54.840 -0.265 0.000 0.747 348 L CB -0.475 41.346 42.059 -0.396 0.000 0.896 348 L HN 0.299 nan 8.230 nan 0.000 0.432 349 Q N 0.423 120.144 119.800 -0.132 0.000 2.124 349 Q HA -0.137 4.196 4.340 -0.011 0.000 0.202 349 Q C 2.062 178.026 176.000 -0.060 0.000 0.977 349 Q CA 1.894 57.649 55.803 -0.080 0.000 0.850 349 Q CB -0.163 28.535 28.738 -0.068 0.000 0.901 349 Q HN 0.439 nan 8.270 nan 0.000 0.429 350 A N -0.329 122.453 122.820 -0.063 0.000 2.123 350 A HA 0.051 4.364 4.320 -0.011 0.000 0.214 350 A C 0.372 177.933 177.584 -0.038 0.000 1.152 350 A CA 0.477 52.488 52.037 -0.043 0.000 0.728 350 A CB 0.088 19.065 19.000 -0.038 0.000 0.814 350 A HN 0.329 nan 8.150 nan 0.000 0.464 351 N N 1.023 119.693 118.700 -0.050 0.000 2.841 351 N HA 0.263 4.996 4.740 -0.011 0.000 0.257 351 N C -3.209 172.275 175.510 -0.043 0.000 1.396 351 N CA -0.954 52.072 53.050 -0.040 0.000 0.823 351 N CB 1.058 39.522 38.487 -0.039 0.000 1.162 351 N HN 0.080 nan 8.380 nan 0.000 0.503 352 P HA 0.147 nan 4.420 nan 0.000 0.268 352 P C -0.898 176.387 177.300 -0.025 0.000 1.205 352 P CA -0.018 63.064 63.100 -0.031 0.000 0.771 352 P CB 0.822 32.508 31.700 -0.022 0.000 0.858 353 A N 2.465 125.270 122.820 -0.025 0.000 2.455 353 A HA 0.497 4.810 4.320 -0.011 0.000 0.300 353 A C -0.731 176.845 177.584 -0.014 0.000 1.040 353 A CA -0.763 51.264 52.037 -0.017 0.000 0.697 353 A CB 1.158 20.149 19.000 -0.015 0.000 1.265 353 A HN 0.438 nan 8.150 nan 0.000 0.407 354 K N 3.324 123.718 120.400 -0.010 0.000 2.231 354 K HA 0.582 4.895 4.320 -0.011 0.000 0.275 354 K C -0.639 175.958 176.600 -0.004 0.000 1.105 354 K CA -0.165 56.116 56.287 -0.010 0.000 0.931 354 K CB -0.176 32.317 32.500 -0.012 0.000 1.296 354 K HN 0.710 nan 8.250 nan 0.000 0.446 355 I N -0.146 120.423 120.570 -0.001 0.000 3.074 355 I HA 0.629 4.792 4.170 -0.011 0.000 0.310 355 I C -0.530 175.592 176.117 0.008 0.000 1.153 355 I CA -1.498 59.806 61.300 0.007 0.000 0.993 355 I CB 1.910 39.918 38.000 0.013 0.000 1.237 355 I HN 0.405 nan 8.210 nan 0.000 0.443 356 A N 2.005 124.832 122.820 0.012 0.000 2.445 356 A HA 0.344 4.657 4.320 -0.011 0.000 0.242 356 A C 1.291 178.891 177.584 0.028 0.000 1.075 356 A CA 0.251 52.294 52.037 0.009 0.000 0.777 356 A CB 0.240 19.240 19.000 -0.000 0.000 1.013 356 A HN 1.026 nan 8.150 nan 0.000 0.493 357 S N 1.872 117.592 115.700 0.033 0.000 2.442 357 S HA -0.236 4.227 4.470 -0.011 0.000 0.236 357 S C 1.714 176.365 174.600 0.086 0.000 1.007 357 S CA 1.114 59.350 58.200 0.061 0.000 0.965 357 S CB -0.482 62.759 63.200 0.068 0.000 0.773 357 S HN 0.895 nan 8.310 nan 0.000 0.504 358 R N 1.489 122.037 120.500 0.080 0.000 2.096 358 R HA 0.026 4.359 4.340 -0.011 0.000 0.235 358 R C 2.135 178.498 176.300 0.105 0.000 1.127 358 R CA 1.532 57.702 56.100 0.117 0.000 0.968 358 R CB -0.412 29.968 30.300 0.134 0.000 0.861 358 R HN 0.377 nan 8.270 nan 0.000 0.440 359 K N 1.153 121.598 120.400 0.074 0.000 2.062 359 K HA 0.086 4.400 4.320 -0.011 0.000 0.205 359 K C 2.116 178.746 176.600 0.049 0.000 1.051 359 K CA 1.397 57.720 56.287 0.060 0.000 0.941 359 K CB -0.323 32.205 32.500 0.046 0.000 0.719 359 K HN 0.271 nan 8.250 nan 0.000 0.440 360 A N -0.004 122.849 122.820 0.055 0.000 1.940 360 A HA -0.180 4.133 4.320 -0.011 0.000 0.219 360 A C 2.284 179.903 177.584 0.058 0.000 1.176 360 A CA 2.205 54.275 52.037 0.056 0.000 0.631 360 A CB -1.106 17.930 19.000 0.060 0.000 0.814 360 A HN 0.436 nan 8.150 nan 0.000 0.446 361 S N -0.893 114.873 115.700 0.110 0.000 2.348 361 S HA -0.276 4.188 4.470 -0.011 0.000 0.221 361 S C 2.242 176.791 174.600 -0.086 0.000 1.033 361 S CA 1.806 60.111 58.200 0.176 0.000 1.010 361 S CB -0.409 62.976 63.200 0.308 0.000 0.891 361 S HN 0.693 nan 8.310 nan 0.000 0.442 362 Q N 0.420 120.202 119.800 -0.029 0.000 2.096 362 Q HA -0.177 4.156 4.340 -0.011 0.000 0.204 362 Q C 1.726 177.632 176.000 -0.157 0.000 0.982 362 Q CA 1.897 57.652 55.803 -0.079 0.000 0.850 362 Q CB -0.251 28.497 28.738 0.018 0.000 0.901 362 Q HN 0.532 nan 8.270 nan 0.000 0.422 363 N N 0.194 118.833 118.700 -0.101 0.000 2.223 363 N HA -0.124 4.609 4.740 -0.011 0.000 0.185 363 N C 1.462 176.806 175.510 -0.275 0.000 1.016 363 N CA 1.302 54.303 53.050 -0.081 0.000 0.863 363 N CB -0.409 38.117 38.487 0.066 0.000 0.983 363 N HN 0.361 nan 8.380 nan 0.000 0.429 364 A N 1.017 123.574 122.820 -0.437 0.000 1.897 364 A HA 0.003 4.316 4.320 -0.011 0.000 0.215 364 A C 2.284 179.051 177.584 -1.361 0.000 1.181 364 A CA 0.673 52.129 52.037 -0.969 0.000 0.620 364 A CB -0.559 17.877 19.000 -0.941 0.000 0.821 364 A HN 0.190 nan 8.150 nan 0.000 0.443 365 I N -0.495 119.369 120.570 -1.177 0.000 2.208 365 I HA -0.269 3.895 4.170 -0.011 0.000 0.245 365 I C 2.539 178.207 176.117 -0.750 0.000 1.097 365 I CA 1.879 62.565 61.300 -1.023 0.000 1.363 365 I CB -0.323 37.170 38.000 -0.846 0.000 1.051 365 I HN 0.406 nan 8.210 nan 0.000 0.413 366 E N 1.450 121.361 120.200 -0.482 0.000 2.077 366 E HA -0.216 4.127 4.350 -0.011 0.000 0.193 366 E C 2.109 178.480 176.600 -0.383 0.000 0.989 366 E CA 1.778 58.030 56.400 -0.247 0.000 0.800 366 E CB -0.166 29.502 29.700 -0.052 0.000 0.746 366 E HN 0.431 nan 8.360 nan 0.000 0.452 367 A N -0.348 122.114 122.820 -0.595 0.000 1.930 367 A HA -0.081 4.232 4.320 -0.011 0.000 0.217 367 A C 1.853 179.262 177.584 -0.291 0.000 1.175 367 A CA 1.261 52.909 52.037 -0.649 0.000 0.627 367 A CB -0.613 17.434 19.000 -1.589 0.000 0.815 367 A HN 0.347 nan 8.150 nan 0.000 0.443 368 F N 0.178 119.827 119.950 -0.503 0.000 2.512 368 F HA 0.141 4.661 4.527 -0.011 0.000 0.296 368 F C 2.513 178.052 175.800 -0.435 0.000 1.110 368 F CA -0.144 57.675 58.000 -0.302 0.000 1.446 368 F CB -1.511 37.402 39.000 -0.145 0.000 1.092 368 F HN 0.253 nan 8.300 nan 0.000 0.554 369 G N 1.961 110.434 108.800 -0.545 0.000 2.553 369 G HA2 -0.258 3.696 3.960 -0.011 0.000 0.218 369 G HA3 -0.258 3.696 3.960 -0.011 0.000 0.218 369 G C -0.584 174.032 174.900 -0.473 0.000 1.195 369 G CA 0.837 45.272 45.100 -1.108 0.000 0.779 369 G HN 0.222 nan 8.290 nan 0.000 0.577 370 P HA 0.029 nan 4.420 nan 0.000 0.225 370 P C 1.710 179.005 177.300 -0.008 0.000 1.148 370 P CA 0.707 63.831 63.100 0.040 0.000 0.779 370 P CB -0.048 31.693 31.700 0.069 0.000 0.780 371 L N -2.363 118.817 121.223 -0.072 0.000 2.354 371 L HA 0.110 4.444 4.340 -0.011 0.000 0.212 371 L C 0.997 177.781 176.870 -0.144 0.000 1.091 371 L CA 0.455 55.270 54.840 -0.041 0.000 0.828 371 L CB -0.192 41.908 42.059 0.069 0.000 0.973 371 L HN -0.097 nan 8.230 nan 0.000 0.461 372 L N 1.960 122.999 121.223 -0.307 0.000 2.502 372 L HA 0.259 4.592 4.340 -0.011 0.000 0.247 372 L C -1.558 175.136 176.870 -0.293 0.000 1.180 372 L CA -1.146 53.406 54.840 -0.480 0.000 0.956 372 L CB 1.005 42.445 42.059 -1.031 0.000 1.282 372 L HN -0.161 nan 8.230 nan 0.000 0.470 373 P HA -0.184 nan 4.420 nan 0.000 0.228 373 P C 0.974 178.353 177.300 0.130 0.000 1.151 373 P CA 1.003 64.149 63.100 0.076 0.000 0.770 373 P CB 0.225 31.969 31.700 0.074 0.000 0.786 374 E N -0.944 119.284 120.200 0.046 0.000 2.418 374 E HA -0.105 4.239 4.350 -0.011 0.000 0.197 374 E C 0.321 177.138 176.600 0.362 0.000 1.026 374 E CA -0.008 56.466 56.400 0.123 0.000 0.862 374 E CB -0.742 28.957 29.700 -0.001 0.000 0.799 374 E HN 0.114 nan 8.360 nan 0.000 0.518 375 F N 1.677 121.773 119.950 0.242 0.000 2.612 375 F HA 0.033 4.554 4.527 -0.011 0.000 0.389 375 F C 0.580 176.533 175.800 0.255 0.000 1.055 375 F CA -0.303 57.867 58.000 0.282 0.000 1.232 375 F CB 0.266 39.466 39.000 0.333 0.000 1.044 375 F HN 0.000 nan 8.300 nan 0.000 0.560 376 L N 4.743 126.153 121.223 0.311 0.000 2.454 376 L HA 0.603 4.936 4.340 -0.011 0.000 0.258 376 L C -0.138 176.537 176.870 -0.325 0.000 1.025 376 L CA -0.059 54.766 54.840 -0.026 0.000 0.901 376 L CB 0.801 42.729 42.059 -0.218 0.000 1.210 376 L HN 0.531 nan 8.230 nan 0.000 0.457 377 G N 1.240 109.648 108.800 -0.653 0.000 2.521 377 G HA2 0.837 4.790 3.960 -0.011 0.000 0.323 377 G HA3 0.837 4.790 3.960 -0.011 0.000 0.323 377 G C -0.537 173.716 174.900 -1.077 0.000 1.211 377 G CA -0.249 43.944 45.100 -1.513 0.000 0.979 377 G HN 0.940 nan 8.290 nan 0.000 0.490 378 G N -1.814 106.481 108.800 -0.841 0.000 2.356 378 G HA2 0.569 4.523 3.960 -0.011 0.000 0.294 378 G HA3 0.569 4.523 3.960 -0.011 0.000 0.294 378 G C -1.397 173.458 174.900 -0.074 0.000 1.423 378 G CA 0.427 45.090 45.100 -0.729 0.000 0.806 378 G HN 1.336 nan 8.290 nan 0.000 0.527 379 S N -1.480 114.260 115.700 0.066 0.000 2.564 379 S HA 0.695 5.158 4.470 -0.011 0.000 0.274 379 S C 0.036 174.730 174.600 0.157 0.000 1.124 379 S CA 0.414 58.703 58.200 0.148 0.000 0.869 379 S CB 1.565 64.886 63.200 0.201 0.000 1.105 379 S HN 2.064 nan 8.310 nan 0.000 0.472 380 A N 3.075 125.930 122.820 0.058 0.000 3.037 380 A HA 0.448 4.761 4.320 -0.011 0.000 0.272 380 A C 0.524 178.103 177.584 -0.009 0.000 1.723 380 A CA 0.438 52.491 52.037 0.027 0.000 1.413 380 A CB -1.538 17.430 19.000 -0.053 0.000 1.112 380 A HN 1.200 nan 8.150 nan 0.000 0.606 381 D N -0.432 120.006 120.400 0.063 0.000 2.870 381 D HA -0.166 4.467 4.640 -0.011 0.000 0.228 381 D C -0.035 176.261 176.300 -0.006 0.000 1.147 381 D CA 1.401 55.428 54.000 0.045 0.000 0.757 381 D CB -1.470 39.327 40.800 -0.004 0.000 1.091 381 D HN 0.510 nan 8.370 nan 0.000 0.429 382 L N -1.240 119.983 121.223 0.001 0.000 3.366 382 L HA 0.539 4.872 4.340 -0.011 0.000 0.304 382 L C 2.071 178.983 176.870 0.070 0.000 1.292 382 L CA 0.169 54.978 54.840 -0.052 0.000 1.012 382 L CB 0.077 41.957 42.059 -0.297 0.000 1.414 382 L HN 0.151 nan 8.230 nan 0.000 0.603 383 A N 1.720 124.630 122.820 0.149 0.000 1.903 383 A HA -0.123 4.191 4.320 -0.011 0.000 0.219 383 A C -0.266 177.400 177.584 0.136 0.000 1.191 383 A CA 1.992 54.137 52.037 0.181 0.000 0.638 383 A CB -1.449 17.660 19.000 0.181 0.000 0.823 383 A HN 0.340 nan 8.150 nan 0.000 0.451 384 P HA 0.069 nan 4.420 nan 0.000 0.241 384 P C 0.893 178.286 177.300 0.155 0.000 1.191 384 P CA 1.288 64.455 63.100 0.112 0.000 0.771 384 P CB 0.436 32.191 31.700 0.091 0.000 0.929 385 S N -0.456 115.355 115.700 0.185 0.000 2.566 385 S HA 0.093 4.556 4.470 -0.011 0.000 0.234 385 S C 1.656 176.484 174.600 0.380 0.000 1.075 385 S CA 0.170 58.553 58.200 0.306 0.000 0.926 385 S CB -0.467 62.933 63.200 0.334 0.000 0.811 385 S HN 0.239 nan 8.310 nan 0.000 0.518 386 N N 1.459 120.316 118.700 0.262 0.000 2.354 386 N HA 0.195 4.929 4.740 -0.011 0.000 0.179 386 N C -0.397 175.254 175.510 0.236 0.000 1.021 386 N CA 0.376 53.590 53.050 0.272 0.000 0.887 386 N CB -0.103 38.506 38.487 0.204 0.000 0.974 386 N HN 0.141 nan 8.380 nan 0.000 0.437 387 L N 0.550 121.894 121.223 0.202 0.000 3.472 387 L HA -0.188 4.145 4.340 -0.011 0.000 0.485 387 L C 0.556 177.526 176.870 0.167 0.000 1.312 387 L CA 0.103 55.039 54.840 0.161 0.000 0.869 387 L CB -2.363 39.778 42.059 0.137 0.000 1.687 387 L HN 0.368 nan 8.230 nan 0.000 0.853 388 T N -4.046 110.647 114.554 0.232 0.000 3.081 388 T HA 0.348 4.691 4.350 -0.011 0.000 0.250 388 T C 0.679 175.616 174.700 0.396 0.000 1.100 388 T CA -0.144 62.173 62.100 0.362 0.000 1.038 388 T CB 0.267 69.472 68.868 0.561 0.000 0.962 388 T HN 0.312 nan 8.240 nan 0.000 0.516 389 L N 3.177 124.496 121.223 0.160 0.000 2.326 389 L HA 0.491 4.825 4.340 -0.011 0.000 0.278 389 L C 0.277 177.239 176.870 0.153 0.000 1.092 389 L CA -1.218 53.626 54.840 0.005 0.000 0.810 389 L CB 0.629 42.565 42.059 -0.205 0.000 1.153 389 L HN 0.446 nan 8.230 nan 0.000 0.439 390 W N 1.184 122.462 121.300 -0.037 0.000 2.869 390 W HA 0.388 5.041 4.660 -0.012 0.000 0.345 390 W C 0.976 177.476 176.519 -0.031 0.000 1.191 390 W CA -0.589 56.734 57.345 -0.036 0.000 1.104 390 W CB 0.552 29.994 29.460 -0.029 0.000 1.471 390 W HN 0.638 nan 8.180 nan 0.000 0.612 391 S N 0.011 115.697 115.700 -0.023 0.000 2.400 391 S HA -0.102 4.361 4.470 -0.011 0.000 0.232 391 S C 1.620 175.847 174.600 -0.621 0.000 1.025 391 S CA 1.588 59.654 58.200 -0.224 0.000 0.993 391 S CB -1.019 62.163 63.200 -0.030 0.000 0.808 391 S HN 0.809 nan 8.310 nan 0.000 0.478 392 G N 0.517 108.390 108.800 -1.544 0.000 3.042 392 G HA2 0.310 4.263 3.960 -0.011 0.000 0.212 392 G HA3 0.310 4.263 3.960 -0.011 0.000 0.212 392 G C 0.114 174.210 174.900 -1.340 0.000 1.166 392 G CA -0.355 43.726 45.100 -1.699 0.000 0.767 392 G HN 0.460 nan 8.290 nan 0.000 0.546 393 S N 0.596 115.548 115.700 -1.247 0.000 2.537 393 S HA 0.307 4.770 4.470 -0.011 0.000 0.286 393 S C 0.003 174.416 174.600 -0.312 0.000 1.299 393 S CA 0.380 58.254 58.200 -0.543 0.000 1.067 393 S CB 0.854 63.793 63.200 -0.435 0.000 0.864 393 S HN 0.333 nan 8.310 nan 0.000 0.494 394 K N 1.983 122.310 120.400 -0.120 0.000 2.545 394 K HA 0.497 4.810 4.320 -0.011 0.000 0.252 394 K C -0.658 175.953 176.600 0.019 0.000 0.948 394 K CA -0.427 55.820 56.287 -0.067 0.000 0.827 394 K CB 1.847 34.316 32.500 -0.052 0.000 1.128 394 K HN 0.619 nan 8.250 nan 0.000 0.429 395 A N 3.163 126.002 122.820 0.031 0.000 2.450 395 A HA 0.181 4.495 4.320 -0.011 0.000 0.255 395 A C 1.166 178.774 177.584 0.040 0.000 1.096 395 A CA -0.379 51.719 52.037 0.102 0.000 0.778 395 A CB -0.460 18.672 19.000 0.220 0.000 1.031 395 A HN 1.001 nan 8.150 nan 0.000 0.494 396 I N 1.049 121.613 120.570 -0.010 0.000 2.830 396 I HA -0.134 4.030 4.170 -0.011 0.000 0.263 396 I C 1.619 177.706 176.117 -0.049 0.000 1.230 396 I CA 1.378 62.646 61.300 -0.053 0.000 1.480 396 I CB -0.414 37.516 38.000 -0.117 0.000 1.095 396 I HN 0.733 nan 8.210 nan 0.000 0.455 397 N N 1.560 120.246 118.700 -0.022 0.000 2.459 397 N HA -0.172 4.561 4.740 -0.011 0.000 0.181 397 N C 1.285 176.783 175.510 -0.020 0.000 1.046 397 N CA 1.083 54.117 53.050 -0.026 0.000 0.904 397 N CB -0.174 38.306 38.487 -0.012 0.000 0.964 397 N HN 0.635 nan 8.380 nan 0.000 0.444 398 E N -0.388 119.808 120.200 -0.005 0.000 2.244 398 E HA 0.033 4.377 4.350 -0.011 0.000 0.196 398 E C -0.534 176.054 176.600 -0.020 0.000 0.939 398 E CA 0.263 56.655 56.400 -0.013 0.000 0.884 398 E CB 0.411 30.108 29.700 -0.005 0.000 0.850 398 E HN 0.179 nan 8.360 nan 0.000 0.481 399 D N -0.709 119.679 120.400 -0.019 0.000 2.479 399 D HA 0.251 4.884 4.640 -0.011 0.000 0.246 399 D C 0.080 176.365 176.300 -0.024 0.000 1.336 399 D CA -0.291 53.695 54.000 -0.022 0.000 0.967 399 D CB 1.471 42.259 40.800 -0.021 0.000 1.275 399 D HN 0.001 nan 8.370 nan 0.000 0.577 400 A N 3.133 125.935 122.820 -0.030 0.000 2.076 400 A HA 0.074 4.388 4.320 -0.011 0.000 0.220 400 A C 1.767 179.342 177.584 -0.014 0.000 1.160 400 A CA 1.623 53.638 52.037 -0.036 0.000 0.653 400 A CB -0.200 18.774 19.000 -0.042 0.000 0.801 400 A HN 0.596 nan 8.150 nan 0.000 0.455 401 A N -0.410 122.408 122.820 -0.003 0.000 2.302 401 A HA 0.490 4.803 4.320 -0.011 0.000 0.219 401 A C 1.319 178.926 177.584 0.038 0.000 1.243 401 A CA 0.584 52.632 52.037 0.019 0.000 0.856 401 A CB -0.886 18.111 19.000 -0.005 0.000 0.893 401 A HN 0.621 nan 8.150 nan 0.000 0.491 402 G N 0.299 109.114 108.800 0.024 0.000 2.516 402 G HA2 0.313 4.267 3.960 -0.011 0.000 0.276 402 G HA3 0.313 4.267 3.960 -0.011 0.000 0.276 402 G C 0.299 175.247 174.900 0.081 0.000 1.390 402 G CA 0.266 45.389 45.100 0.040 0.000 1.050 402 G HN 0.583 nan 8.290 nan 0.000 0.519 403 N N -3.061 115.700 118.700 0.102 0.000 2.193 403 N HA 0.119 4.852 4.740 -0.011 0.000 0.236 403 N C -1.001 174.579 175.510 0.117 0.000 1.347 403 N CA -0.499 52.650 53.050 0.165 0.000 0.812 403 N CB 0.087 38.769 38.487 0.326 0.000 1.297 403 N HN 0.447 nan 8.380 nan 0.000 0.499 404 Y N 0.650 120.886 120.300 -0.107 0.000 2.457 404 Y HA 0.648 5.192 4.550 -0.011 0.000 0.343 404 Y C -1.506 174.214 175.900 -0.301 0.000 0.994 404 Y CA -1.102 56.876 58.100 -0.203 0.000 1.031 404 Y CB 1.584 39.933 38.460 -0.184 0.000 1.246 404 Y HN -0.025 nan 8.280 nan 0.000 0.449 405 I N 5.729 125.727 120.570 -0.953 0.000 2.418 405 I HA 0.250 4.413 4.170 -0.011 0.000 0.287 405 I C -0.801 174.829 176.117 -0.811 0.000 1.008 405 I CA -0.861 59.952 61.300 -0.813 0.000 1.104 405 I CB 1.282 38.596 38.000 -1.143 0.000 1.264 405 I HN 0.566 nan 8.210 nan 0.000 0.438 406 H N 6.797 125.719 119.070 -0.247 0.000 3.004 406 H HA 0.085 4.634 4.556 -0.012 0.000 0.267 406 H C -0.107 175.127 175.328 -0.156 0.000 1.165 406 H CA 0.281 56.292 56.048 -0.062 0.000 1.450 406 H CB 0.534 30.315 29.762 0.031 0.000 1.488 406 H HN 0.570 nan 8.280 nan 0.000 0.478 407 Y N 1.930 122.216 120.300 -0.024 0.000 2.561 407 Y HA 0.013 4.557 4.550 -0.011 0.000 0.291 407 Y C 1.920 177.796 175.900 -0.040 0.000 1.141 407 Y CA 0.871 58.934 58.100 -0.062 0.000 1.303 407 Y CB 0.315 38.719 38.460 -0.094 0.000 1.015 407 Y HN 0.976 nan 8.280 nan 0.000 0.547 408 G N -0.089 108.790 108.800 0.132 0.000 2.752 408 G HA2 -0.266 3.687 3.960 -0.011 0.000 0.234 408 G HA3 -0.266 3.687 3.960 -0.011 0.000 0.234 408 G C -0.530 174.387 174.900 0.029 0.000 1.367 408 G CA -0.407 44.727 45.100 0.057 0.000 0.879 408 G HN 0.034 nan 8.290 nan 0.000 0.563 409 V N 1.393 121.299 119.914 -0.014 0.000 2.071 409 V HA 0.465 4.578 4.120 -0.011 0.000 0.254 409 V C 0.938 177.006 176.094 -0.043 0.000 1.456 409 V CA 0.773 63.036 62.300 -0.062 0.000 1.383 409 V CB -0.605 31.164 31.823 -0.090 0.000 1.433 409 V HN 0.571 nan 8.190 nan 0.000 0.499 410 R N 1.857 122.342 120.500 -0.025 0.000 2.684 410 R HA 0.260 4.594 4.340 -0.011 0.000 0.252 410 R C 0.215 176.521 176.300 0.010 0.000 1.628 410 R CA -0.325 55.781 56.100 0.010 0.000 1.622 410 R CB 0.870 31.171 30.300 0.002 0.000 1.418 410 R HN 0.414 nan 8.270 nan 0.000 0.697 411 E N 0.482 120.701 120.200 0.031 0.000 2.072 411 E HA -0.148 4.195 4.350 -0.011 0.000 0.191 411 E C 1.138 177.825 176.600 0.146 0.000 0.985 411 E CA 1.144 57.571 56.400 0.044 0.000 0.801 411 E CB -0.019 29.712 29.700 0.053 0.000 0.750 411 E HN 0.285 nan 8.360 nan 0.000 0.452 412 F N 0.991 120.957 119.950 0.027 0.000 2.084 412 F HA 0.040 4.560 4.527 -0.011 0.000 0.296 412 F C 2.200 177.987 175.800 -0.022 0.000 1.111 412 F CA 1.578 59.590 58.000 0.020 0.000 1.224 412 F CB -0.979 38.048 39.000 0.045 0.000 0.991 412 F HN 0.059 nan 8.300 nan 0.000 0.471 413 G N 0.544 109.351 108.800 0.012 0.000 2.440 413 G HA2 -0.332 3.622 3.960 -0.011 0.000 0.218 413 G HA3 -0.332 3.622 3.960 -0.011 0.000 0.218 413 G C 1.816 176.657 174.900 -0.098 0.000 1.154 413 G CA 0.931 45.960 45.100 -0.118 0.000 0.767 413 G HN 0.454 nan 8.290 nan 0.000 0.552 414 M N 0.655 120.161 119.600 -0.158 0.000 2.082 414 M HA -0.136 4.337 4.480 -0.011 0.000 0.258 414 M C 2.493 178.563 176.300 -0.385 0.000 1.069 414 M CA 2.353 57.328 55.300 -0.540 0.000 1.102 414 M CB -0.465 31.636 32.600 -0.831 0.000 1.336 414 M HN 0.205 nan 8.290 nan 0.000 0.404 415 T N 0.762 115.223 114.554 -0.156 0.000 2.777 415 T HA 0.019 4.362 4.350 -0.011 0.000 0.266 415 T C 1.814 176.508 174.700 -0.010 0.000 1.040 415 T CA 1.435 63.508 62.100 -0.044 0.000 1.141 415 T CB -0.453 68.471 68.868 0.093 0.000 0.868 415 T HN 0.608 nan 8.240 nan 0.000 0.444 416 A N 0.817 123.628 122.820 -0.015 0.000 1.968 416 A HA 0.125 4.438 4.320 -0.011 0.000 0.217 416 A C 2.252 179.816 177.584 -0.032 0.000 1.169 416 A CA 0.712 52.728 52.037 -0.035 0.000 0.638 416 A CB -0.669 18.251 19.000 -0.134 0.000 0.812 416 A HN 0.486 nan 8.150 nan 0.000 0.446 417 I N -0.177 120.372 120.570 -0.035 0.000 2.179 417 I HA -0.299 3.864 4.170 -0.011 0.000 0.242 417 I C 2.958 179.088 176.117 0.022 0.000 1.088 417 I CA 1.137 62.445 61.300 0.013 0.000 1.357 417 I CB -0.252 37.807 38.000 0.098 0.000 1.051 417 I HN 0.361 nan 8.210 nan 0.000 0.409 418 A N 0.776 123.600 122.820 0.006 0.000 1.972 418 A HA -0.219 4.094 4.320 -0.011 0.000 0.219 418 A C 1.992 179.594 177.584 0.031 0.000 1.169 418 A CA 1.840 53.886 52.037 0.015 0.000 0.635 418 A CB -0.668 18.318 19.000 -0.023 0.000 0.810 418 A HN 0.424 nan 8.150 nan 0.000 0.446 419 N N 0.402 119.119 118.700 0.028 0.000 2.104 419 N HA -0.132 4.601 4.740 -0.011 0.000 0.190 419 N C 1.812 177.352 175.510 0.050 0.000 1.024 419 N CA 1.579 54.655 53.050 0.043 0.000 0.853 419 N CB -0.886 37.625 38.487 0.040 0.000 1.008 419 N HN 0.481 nan 8.380 nan 0.000 0.424 420 G N 1.029 109.852 108.800 0.040 0.000 2.422 420 G HA2 -0.153 3.801 3.960 -0.011 0.000 0.218 420 G HA3 -0.153 3.801 3.960 -0.011 0.000 0.218 420 G C 1.672 176.622 174.900 0.083 0.000 1.146 420 G CA 0.379 45.510 45.100 0.053 0.000 0.769 420 G HN 0.273 nan 8.290 nan 0.000 0.547 421 I N 1.757 122.360 120.570 0.055 0.000 2.179 421 I HA -0.219 3.944 4.170 -0.011 0.000 0.242 421 I C 3.209 179.424 176.117 0.162 0.000 1.088 421 I CA 1.622 62.961 61.300 0.064 0.000 1.357 421 I CB -0.246 37.737 38.000 -0.028 0.000 1.051 421 I HN 0.342 nan 8.210 nan 0.000 0.409 422 S N 1.104 116.880 115.700 0.126 0.000 2.383 422 S HA -0.113 4.351 4.470 -0.011 0.000 0.227 422 S C 1.988 176.658 174.600 0.118 0.000 1.026 422 S CA 0.871 59.149 58.200 0.130 0.000 0.981 422 S CB -0.847 62.412 63.200 0.099 0.000 0.818 422 S HN 0.395 nan 8.310 nan 0.000 0.472 423 L N 0.864 122.151 121.223 0.107 0.000 2.201 423 L HA -0.072 4.262 4.340 -0.011 0.000 0.212 423 L C 3.021 179.940 176.870 0.082 0.000 1.105 423 L CA 1.499 56.388 54.840 0.081 0.000 0.775 423 L CB -0.681 41.420 42.059 0.069 0.000 0.913 423 L HN 0.499 nan 8.230 nan 0.000 0.440 424 H N 0.621 119.721 119.070 0.051 0.000 2.389 424 H HA -0.015 4.535 4.556 -0.011 0.000 0.299 424 H C 0.816 176.150 175.328 0.010 0.000 1.081 424 H CA 1.179 57.255 56.048 0.047 0.000 1.345 424 H CB 0.244 30.073 29.762 0.112 0.000 1.393 424 H HN 0.296 nan 8.280 nan 0.000 0.520 425 G N -2.071 106.817 108.800 0.147 0.000 2.692 425 G HA2 0.132 4.085 3.960 -0.011 0.000 0.686 425 G HA3 0.132 4.085 3.960 -0.011 0.000 0.686 425 G C 0.693 175.641 174.900 0.079 0.000 1.243 425 G CA 0.260 45.376 45.100 0.026 0.000 0.782 425 G HN 1.022 nan 8.290 nan 0.000 0.625 426 G N -1.065 107.649 108.800 -0.144 0.000 2.232 426 G HA2 0.081 4.034 3.960 -0.011 0.000 0.226 426 G HA3 0.081 4.034 3.960 -0.011 0.000 0.226 426 G C 0.285 174.817 174.900 -0.612 0.000 0.996 426 G CA 0.786 45.623 45.100 -0.439 0.000 0.626 426 G HN 1.696 nan 8.290 nan 0.000 0.509 427 F N -0.684 119.301 119.950 0.057 0.000 2.620 427 F HA 0.795 5.315 4.527 -0.011 0.000 0.320 427 F C 0.009 175.862 175.800 0.088 0.000 1.069 427 F CA -1.050 57.001 58.000 0.084 0.000 0.953 427 F CB 2.042 41.092 39.000 0.082 0.000 1.322 427 F HN 0.052 nan 8.300 nan 0.000 0.479 428 L N 4.673 126.117 121.223 0.368 0.000 2.388 428 L HA 0.521 4.855 4.340 -0.011 0.000 0.267 428 L C -2.715 174.385 176.870 0.384 0.000 0.995 428 L CA -1.898 53.133 54.840 0.319 0.000 0.864 428 L CB 1.655 43.891 42.059 0.296 0.000 1.216 428 L HN 0.241 nan 8.230 nan 0.000 0.430 429 P HA 0.227 nan 4.420 nan 0.000 0.284 429 P C -1.776 175.639 177.300 0.191 0.000 1.253 429 P CA -0.011 63.175 63.100 0.143 0.000 0.800 429 P CB 0.865 32.611 31.700 0.076 0.000 0.961 430 Y N -0.560 119.780 120.300 0.066 0.000 2.446 430 Y HA 0.790 5.333 4.550 -0.012 0.000 0.345 430 Y C -0.237 175.648 175.900 -0.025 0.000 0.984 430 Y CA -1.030 57.074 58.100 0.007 0.000 1.058 430 Y CB 1.275 39.770 38.460 0.058 0.000 1.220 430 Y HN 0.460 nan 8.280 nan 0.000 0.455 431 T N -0.356 114.252 114.554 0.090 0.000 2.907 431 T HA 0.804 5.147 4.350 -0.011 0.000 0.290 431 T C -0.803 173.911 174.700 0.022 0.000 1.066 431 T CA -0.897 61.185 62.100 -0.029 0.000 1.012 431 T CB 1.692 70.467 68.868 -0.155 0.000 1.184 431 T HN 0.889 nan 8.240 nan 0.000 0.522 432 S N -0.477 115.243 115.700 0.033 0.000 2.542 432 S HA 0.729 5.192 4.470 -0.011 0.000 0.276 432 S C -1.149 173.525 174.600 0.124 0.000 1.148 432 S CA -0.318 57.944 58.200 0.103 0.000 0.886 432 S CB 1.737 65.038 63.200 0.168 0.000 1.109 432 S HN 1.274 nan 8.310 nan 0.000 0.458 433 T N 1.968 116.657 114.554 0.224 0.000 2.693 433 T HA 0.600 4.943 4.350 -0.011 0.000 0.304 433 T C -1.659 173.177 174.700 0.227 0.000 1.471 433 T CA -0.505 61.660 62.100 0.108 0.000 0.993 433 T CB 0.044 68.969 68.868 0.095 0.000 1.554 433 T HN 0.356 nan 8.240 nan 0.000 0.496 434 F N 2.471 122.503 119.950 0.137 0.000 2.563 434 F HA 0.271 4.791 4.527 -0.012 0.000 0.363 434 F C 1.561 177.305 175.800 -0.093 0.000 1.123 434 F CA -0.967 57.043 58.000 0.016 0.000 1.307 434 F CB 0.121 39.050 39.000 -0.119 0.000 1.115 434 F HN 0.479 nan 8.300 nan 0.000 0.592 435 L N 3.360 124.657 121.223 0.124 0.000 2.081 435 L HA -0.258 4.075 4.340 -0.011 0.000 0.212 435 L C 2.228 178.922 176.870 -0.294 0.000 1.080 435 L CA 1.736 56.511 54.840 -0.110 0.000 0.754 435 L CB -0.848 41.205 42.059 -0.010 0.000 0.893 435 L HN 0.742 nan 8.230 nan 0.000 0.433 436 M N -0.699 118.668 119.600 -0.389 0.000 2.106 436 M HA -0.238 4.235 4.480 -0.011 0.000 0.259 436 M C 1.550 177.562 176.300 -0.480 0.000 1.068 436 M CA 1.878 56.844 55.300 -0.556 0.000 1.100 436 M CB -0.624 31.416 32.600 -0.932 0.000 1.351 436 M HN 0.257 nan 8.290 nan 0.000 0.404 437 F N -1.277 118.597 119.950 -0.127 0.000 2.811 437 F HA 0.148 4.667 4.527 -0.013 0.000 0.301 437 F C 2.115 177.822 175.800 -0.154 0.000 1.151 437 F CA 0.026 57.924 58.000 -0.170 0.000 1.412 437 F CB -1.704 37.091 39.000 -0.343 0.000 1.113 437 F HN 0.003 nan 8.300 nan 0.000 0.579 438 V N 0.405 120.189 119.914 -0.217 0.000 2.546 438 V HA -0.277 3.836 4.120 -0.011 0.000 0.254 438 V C 2.054 178.085 176.094 -0.105 0.000 1.076 438 V CA 2.119 64.224 62.300 -0.326 0.000 1.087 438 V CB -0.176 31.240 31.823 -0.677 0.000 0.674 438 V HN 0.368 nan 8.190 nan 0.000 0.470 439 E N -1.203 118.987 120.200 -0.017 0.000 2.153 439 E HA -0.217 4.127 4.350 -0.011 0.000 0.194 439 E C 2.015 178.640 176.600 0.042 0.000 0.988 439 E CA 1.455 57.866 56.400 0.019 0.000 0.811 439 E CB -0.183 29.550 29.700 0.056 0.000 0.746 439 E HN 0.755 nan 8.360 nan 0.000 0.466 440 Y N 0.243 120.504 120.300 -0.065 0.000 2.293 440 Y HA -0.061 4.485 4.550 -0.006 0.000 0.291 440 Y C 2.102 177.834 175.900 -0.280 0.000 1.137 440 Y CA 1.010 59.041 58.100 -0.115 0.000 1.202 440 Y CB -0.042 38.408 38.460 -0.017 0.000 0.990 440 Y HN -0.012 nan 8.280 nan 0.000 0.537 441 A N -1.110 121.692 122.820 -0.031 0.000 2.423 441 A HA 0.181 4.494 4.320 -0.011 0.000 0.246 441 A C 1.929 179.418 177.584 -0.158 0.000 1.278 441 A CA -0.057 51.941 52.037 -0.065 0.000 0.903 441 A CB -0.317 18.762 19.000 0.133 0.000 0.997 441 A HN 0.179 nan 8.150 nan 0.000 0.510 442 R N 1.333 121.691 120.500 -0.237 0.000 2.096 442 R HA -0.153 4.181 4.340 -0.011 0.000 0.240 442 R C 1.866 178.109 176.300 -0.095 0.000 1.139 442 R CA 2.246 58.263 56.100 -0.139 0.000 0.952 442 R CB -0.644 29.573 30.300 -0.138 0.000 0.854 442 R HN 0.667 nan 8.270 nan 0.000 0.436 443 N N -0.688 117.911 118.700 -0.167 0.000 2.309 443 N HA -0.101 4.632 4.740 -0.011 0.000 0.182 443 N C 1.260 176.853 175.510 0.138 0.000 1.018 443 N CA 1.030 54.075 53.050 -0.009 0.000 0.876 443 N CB 0.052 38.547 38.487 0.014 0.000 0.972 443 N HN 0.346 nan 8.380 nan 0.000 0.434 444 A N 0.471 123.450 122.820 0.266 0.000 1.968 444 A HA -0.017 4.297 4.320 -0.011 0.000 0.217 444 A C 2.359 180.037 177.584 0.155 0.000 1.169 444 A CA 0.725 52.930 52.037 0.280 0.000 0.638 444 A CB -0.480 18.759 19.000 0.398 0.000 0.812 444 A HN 0.150 nan 8.150 nan 0.000 0.446 445 V N 0.081 120.072 119.914 0.128 0.000 2.295 445 V HA -0.257 3.857 4.120 -0.011 0.000 0.246 445 V C 2.630 178.777 176.094 0.088 0.000 1.049 445 V CA 2.284 64.652 62.300 0.113 0.000 1.024 445 V CB -0.781 31.112 31.823 0.117 0.000 0.648 445 V HN 0.649 nan 8.190 nan 0.000 0.447 446 R N -0.640 119.901 120.500 0.068 0.000 2.081 446 R HA -0.160 4.173 4.340 -0.011 0.000 0.235 446 R C 2.328 178.664 176.300 0.060 0.000 1.131 446 R CA 1.596 57.729 56.100 0.054 0.000 0.960 446 R CB -0.183 30.137 30.300 0.034 0.000 0.856 446 R HN 0.304 nan 8.270 nan 0.000 0.436 447 M N 0.041 119.684 119.600 0.070 0.000 2.213 447 M HA -0.084 4.390 4.480 -0.011 0.000 0.263 447 M C 2.336 178.674 176.300 0.064 0.000 1.062 447 M CA 1.498 56.836 55.300 0.064 0.000 1.105 447 M CB -0.982 31.662 32.600 0.072 0.000 1.385 447 M HN 0.268 nan 8.290 nan 0.000 0.417 448 A N 0.169 123.032 122.820 0.073 0.000 1.902 448 A HA -0.005 4.308 4.320 -0.011 0.000 0.217 448 A C 2.438 180.064 177.584 0.070 0.000 1.181 448 A CA 2.079 54.158 52.037 0.070 0.000 0.623 448 A CB -0.851 18.193 19.000 0.074 0.000 0.818 448 A HN 0.466 nan 8.150 nan 0.000 0.443 449 A N -0.518 122.345 122.820 0.071 0.000 1.873 449 A HA -0.009 4.304 4.320 -0.011 0.000 0.215 449 A C 2.128 179.753 177.584 0.068 0.000 1.186 449 A CA 1.695 53.775 52.037 0.072 0.000 0.616 449 A CB -0.649 18.394 19.000 0.071 0.000 0.823 449 A HN 0.707 nan 8.150 nan 0.000 0.442 450 L N -0.520 120.739 121.223 0.059 0.000 2.042 450 L HA -0.063 4.270 4.340 -0.011 0.000 0.210 450 L C 2.241 179.148 176.870 0.062 0.000 1.076 450 L CA 2.029 56.902 54.840 0.054 0.000 0.749 450 L CB -0.418 41.662 42.059 0.035 0.000 0.893 450 L HN 0.431 nan 8.230 nan 0.000 0.432 451 M N -0.856 118.780 119.600 0.060 0.000 2.618 451 M HA 0.004 4.477 4.480 -0.011 0.000 0.240 451 M C 0.217 176.561 176.300 0.073 0.000 1.123 451 M CA 0.291 55.630 55.300 0.066 0.000 1.060 451 M CB 0.018 32.653 32.600 0.058 0.000 1.535 451 M HN 0.121 nan 8.290 nan 0.000 0.507 452 K N 1.131 121.575 120.400 0.073 0.000 3.125 452 K HA -0.138 4.176 4.320 -0.011 0.000 0.268 452 K C -0.705 175.932 176.600 0.063 0.000 1.078 452 K CA 0.361 56.690 56.287 0.071 0.000 0.775 452 K CB -1.220 31.325 32.500 0.074 0.000 1.253 452 K HN 0.358 nan 8.250 nan 0.000 0.486 453 Q N 0.980 120.818 119.800 0.064 0.000 2.241 453 Q HA 0.223 4.557 4.340 -0.011 0.000 0.254 453 Q C -0.013 176.024 176.000 0.062 0.000 0.917 453 Q CA -0.429 55.411 55.803 0.062 0.000 0.919 453 Q CB 1.626 30.402 28.738 0.064 0.000 1.237 453 Q HN 0.238 nan 8.270 nan 0.000 0.434 454 R N 2.302 122.838 120.500 0.059 0.000 2.248 454 R HA 0.158 4.492 4.340 -0.011 0.000 0.328 454 R C -0.650 175.696 176.300 0.078 0.000 1.067 454 R CA 0.236 56.373 56.100 0.061 0.000 0.924 454 R CB 0.472 30.802 30.300 0.050 0.000 1.013 454 R HN 0.631 nan 8.270 nan 0.000 0.454 455 Q N 3.742 123.583 119.800 0.069 0.000 2.327 455 Q HA 0.219 4.552 4.340 -0.011 0.000 0.265 455 Q C -1.858 174.154 176.000 0.020 0.000 0.993 455 Q CA -0.758 55.085 55.803 0.067 0.000 0.885 455 Q CB 2.278 31.048 28.738 0.052 0.000 1.379 455 Q HN 0.443 nan 8.270 nan 0.000 0.408 456 V N 5.016 124.934 119.914 0.007 0.000 2.383 456 V HA 0.404 4.517 4.120 -0.011 0.000 0.275 456 V C -0.113 175.855 176.094 -0.210 0.000 1.036 456 V CA -0.141 62.054 62.300 -0.175 0.000 0.889 456 V CB 1.181 32.769 31.823 -0.392 0.000 0.985 456 V HN 0.812 nan 8.190 nan 0.000 0.459 457 M N 5.470 124.873 119.600 -0.328 0.000 2.066 457 M HA 0.407 4.880 4.480 -0.011 0.000 0.340 457 M C -0.772 175.054 176.300 -0.790 0.000 1.053 457 M CA -0.390 54.580 55.300 -0.551 0.000 0.983 457 M CB 1.617 33.876 32.600 -0.568 0.000 1.520 457 M HN 0.343 nan 8.290 nan 0.000 0.428 458 V N 4.759 124.328 119.914 -0.574 0.000 2.320 458 V HA 0.211 4.324 4.120 -0.011 0.000 0.265 458 V C -1.076 174.916 176.094 -0.171 0.000 1.048 458 V CA -0.431 61.686 62.300 -0.306 0.000 0.865 458 V CB -0.439 31.361 31.823 -0.039 0.000 1.043 458 V HN 0.521 nan 8.190 nan 0.000 0.474 459 Y N 3.101 123.444 120.300 0.072 0.000 2.478 459 Y HA 0.508 5.052 4.550 -0.009 0.000 0.329 459 Y C 0.943 176.935 175.900 0.152 0.000 0.967 459 Y CA -1.177 56.986 58.100 0.106 0.000 1.255 459 Y CB 1.371 39.871 38.460 0.066 0.000 1.103 459 Y HN 0.689 nan 8.280 nan 0.000 0.497 460 T N -1.738 113.064 114.554 0.413 0.000 2.897 460 T HA 0.413 4.756 4.350 -0.011 0.000 0.278 460 T C -0.497 174.486 174.700 0.472 0.000 0.981 460 T CA -0.582 61.772 62.100 0.423 0.000 0.973 460 T CB 0.577 69.772 68.868 0.544 0.000 1.092 460 T HN 0.691 nan 8.240 nan 0.000 0.543 461 H N 0.253 119.381 119.070 0.097 0.000 2.847 461 H HA -0.077 4.473 4.556 -0.011 0.000 0.336 461 H C 0.488 175.781 175.328 -0.058 0.000 1.221 461 H CA 0.829 56.844 56.048 -0.055 0.000 1.162 461 H CB -1.742 27.829 29.762 -0.318 0.000 1.566 461 H HN 0.825 nan 8.280 nan 0.000 0.430 462 D N -0.957 119.469 120.400 0.044 0.000 2.340 462 D HA 0.048 4.681 4.640 -0.011 0.000 0.220 462 D C 0.886 177.174 176.300 -0.021 0.000 1.039 462 D CA 0.849 54.867 54.000 0.029 0.000 0.866 462 D CB 0.409 41.239 40.800 0.049 0.000 0.913 462 D HN 0.508 nan 8.370 nan 0.000 0.523 463 S N -0.675 114.995 115.700 -0.050 0.000 2.724 463 S HA 0.256 4.719 4.470 -0.011 0.000 0.278 463 S C 1.161 175.668 174.600 -0.156 0.000 1.190 463 S CA -0.393 57.749 58.200 -0.097 0.000 0.860 463 S CB -0.096 63.057 63.200 -0.079 0.000 1.206 463 S HN 0.033 nan 8.310 nan 0.000 0.507 464 I N -0.461 119.957 120.570 -0.252 0.000 2.623 464 I HA 0.118 4.281 4.170 -0.011 0.000 0.261 464 I C 1.955 177.805 176.117 -0.446 0.000 1.204 464 I CA 1.661 62.757 61.300 -0.341 0.000 1.444 464 I CB -1.195 36.559 38.000 -0.410 0.000 1.094 464 I HN 0.735 nan 8.210 nan 0.000 0.451 465 G N 2.685 111.250 108.800 -0.392 0.000 2.501 465 G HA2 -0.177 3.776 3.960 -0.011 0.000 0.220 465 G HA3 -0.177 3.776 3.960 -0.011 0.000 0.220 465 G C 1.545 176.386 174.900 -0.098 0.000 1.114 465 G CA 0.999 46.006 45.100 -0.156 0.000 0.757 465 G HN 0.648 nan 8.290 nan 0.000 0.559 466 L N -1.276 119.872 121.223 -0.124 0.000 2.395 466 L HA 0.454 4.787 4.340 -0.011 0.000 0.218 466 L C 1.599 178.422 176.870 -0.078 0.000 1.130 466 L CA 0.869 55.650 54.840 -0.098 0.000 0.826 466 L CB -0.803 41.214 42.059 -0.070 0.000 0.941 466 L HN 0.419 nan 8.230 nan 0.000 0.451 467 G N 0.295 109.033 108.800 -0.103 0.000 2.552 467 G HA2 -0.399 3.554 3.960 -0.011 0.000 0.267 467 G HA3 -0.399 3.554 3.960 -0.011 0.000 0.267 467 G C 0.666 175.530 174.900 -0.062 0.000 1.174 467 G CA 0.478 45.532 45.100 -0.078 0.000 0.955 467 G HN 0.371 nan 8.290 nan 0.000 0.546 468 E N 1.077 121.248 120.200 -0.049 0.000 2.265 468 E HA 0.055 4.398 4.350 -0.011 0.000 0.196 468 E C 1.918 178.474 176.600 -0.073 0.000 0.996 468 E CA 1.190 57.563 56.400 -0.045 0.000 0.832 468 E CB -0.145 29.536 29.700 -0.032 0.000 0.756 468 E HN 0.458 nan 8.360 nan 0.000 0.491 469 D N -0.124 120.204 120.400 -0.119 0.000 2.221 469 D HA -0.020 4.613 4.640 -0.011 0.000 0.204 469 D C 1.085 177.284 176.300 -0.169 0.000 0.982 469 D CA 1.332 55.193 54.000 -0.232 0.000 0.857 469 D CB -0.206 40.338 40.800 -0.427 0.000 0.934 469 D HN 0.244 nan 8.370 nan 0.000 0.475 470 G N 0.020 108.776 108.800 -0.074 0.000 2.698 470 G HA2 -0.198 3.755 3.960 -0.011 0.000 0.225 470 G HA3 -0.198 3.755 3.960 -0.011 0.000 0.225 470 G C -1.975 172.943 174.900 0.030 0.000 1.345 470 G CA -0.114 44.979 45.100 -0.012 0.000 0.871 470 G HN -0.010 nan 8.290 nan 0.000 0.540 471 P HA -0.054 nan 4.420 nan 0.000 0.226 471 P C 1.851 179.171 177.300 0.033 0.000 1.153 471 P CA 2.574 65.702 63.100 0.048 0.000 0.777 471 P CB -0.318 31.406 31.700 0.040 0.000 0.794 472 T N -4.905 109.697 114.554 0.079 0.000 3.035 472 T HA -0.086 4.257 4.350 -0.011 0.000 0.268 472 T C 1.433 176.211 174.700 0.130 0.000 1.109 472 T CA 1.145 63.320 62.100 0.126 0.000 1.119 472 T CB -0.866 68.136 68.868 0.223 0.000 0.900 472 T HN 0.148 nan 8.240 nan 0.000 0.503 473 H N 0.379 119.415 119.070 -0.057 0.000 2.788 473 H HA 0.405 4.954 4.556 -0.011 0.000 0.262 473 H C 0.561 175.764 175.328 -0.208 0.000 0.968 473 H CA -0.095 55.851 56.048 -0.169 0.000 1.218 473 H CB 0.246 29.937 29.762 -0.118 0.000 1.443 473 H HN 0.416 nan 8.280 nan 0.000 0.478 474 Q N 2.387 122.182 119.800 -0.008 0.000 2.324 474 Q HA 0.182 4.515 4.340 -0.011 0.000 0.257 474 Q C -2.430 173.530 176.000 -0.066 0.000 1.080 474 Q CA -1.977 53.792 55.803 -0.057 0.000 0.907 474 Q CB 0.977 29.681 28.738 -0.056 0.000 1.274 474 Q HN 0.175 nan 8.270 nan 0.000 0.434 475 P HA -0.063 nan 4.420 nan 0.000 0.269 475 P C -0.294 176.968 177.300 -0.063 0.000 1.209 475 P CA 0.090 63.142 63.100 -0.080 0.000 0.776 475 P CB 1.081 32.730 31.700 -0.086 0.000 0.876 476 V N 1.469 121.356 119.914 -0.045 0.000 3.279 476 V HA 0.025 4.138 4.120 -0.011 0.000 0.213 476 V C 1.640 177.714 176.094 -0.033 0.000 1.335 476 V CA 0.617 62.886 62.300 -0.052 0.000 1.317 476 V CB -0.233 31.540 31.823 -0.084 0.000 1.209 476 V HN 0.567 nan 8.190 nan 0.000 0.525 477 E N 0.079 120.258 120.200 -0.035 0.000 2.481 477 E HA -0.006 4.337 4.350 -0.011 0.000 0.198 477 E C 1.452 178.027 176.600 -0.042 0.000 1.027 477 E CA 0.210 56.592 56.400 -0.030 0.000 0.900 477 E CB 0.526 30.206 29.700 -0.033 0.000 0.993 477 E HN 0.486 nan 8.360 nan 0.000 0.482 478 Q N 0.903 120.672 119.800 -0.053 0.000 2.083 478 Q HA -0.006 4.327 4.340 -0.011 0.000 0.198 478 Q C 2.307 178.260 176.000 -0.078 0.000 0.969 478 Q CA 1.452 57.213 55.803 -0.071 0.000 0.838 478 Q CB -0.329 28.350 28.738 -0.099 0.000 0.900 478 Q HN 0.148 nan 8.270 nan 0.000 0.436 479 V N 0.810 120.676 119.914 -0.080 0.000 2.295 479 V HA -0.290 3.823 4.120 -0.011 0.000 0.246 479 V C 2.183 178.156 176.094 -0.203 0.000 1.049 479 V CA 1.787 64.022 62.300 -0.109 0.000 1.024 479 V CB -1.222 30.545 31.823 -0.093 0.000 0.648 479 V HN 0.424 nan 8.190 nan 0.000 0.447 480 A N -0.588 122.099 122.820 -0.221 0.000 1.940 480 A HA -0.277 4.037 4.320 -0.011 0.000 0.219 480 A C 2.565 180.070 177.584 -0.131 0.000 1.176 480 A CA 2.425 54.297 52.037 -0.275 0.000 0.631 480 A CB -0.797 18.152 19.000 -0.084 0.000 0.814 480 A HN 0.500 nan 8.150 nan 0.000 0.446 481 S N -0.724 114.930 115.700 -0.077 0.000 2.383 481 S HA -0.053 4.410 4.470 -0.011 0.000 0.227 481 S C 1.912 176.489 174.600 -0.038 0.000 1.026 481 S CA 1.256 59.432 58.200 -0.040 0.000 0.981 481 S CB -0.470 62.709 63.200 -0.035 0.000 0.818 481 S HN 0.493 nan 8.310 nan 0.000 0.472 482 L N 0.867 122.059 121.223 -0.052 0.000 2.046 482 L HA -0.034 4.299 4.340 -0.011 0.000 0.208 482 L C 2.874 179.722 176.870 -0.037 0.000 1.077 482 L CA 1.250 56.077 54.840 -0.022 0.000 0.747 482 L CB -0.440 41.621 42.059 0.004 0.000 0.896 482 L HN 0.252 nan 8.230 nan 0.000 0.432 483 R N -0.206 120.227 120.500 -0.113 0.000 2.152 483 R HA -0.107 4.227 4.340 -0.011 0.000 0.232 483 R C 1.826 178.127 176.300 0.002 0.000 1.117 483 R CA 1.557 57.585 56.100 -0.120 0.000 0.981 483 R CB -0.268 29.804 30.300 -0.380 0.000 0.870 483 R HN 0.409 nan 8.270 nan 0.000 0.451 484 V N -2.379 117.548 119.914 0.021 0.000 3.596 484 V HA 0.151 4.265 4.120 -0.011 0.000 0.289 484 V C 0.341 176.456 176.094 0.034 0.000 1.336 484 V CA -0.034 62.298 62.300 0.053 0.000 1.137 484 V CB 0.390 32.252 31.823 0.065 0.000 0.966 484 V HN -0.096 nan 8.190 nan 0.000 0.428 485 T N 4.329 118.900 114.554 0.028 0.000 2.761 485 T HA 0.372 4.716 4.350 -0.011 0.000 0.296 485 T C -2.385 172.342 174.700 0.045 0.000 0.934 485 T CA -0.501 61.619 62.100 0.033 0.000 1.091 485 T CB 0.993 69.881 68.868 0.033 0.000 0.896 485 T HN 0.344 nan 8.240 nan 0.000 0.515 486 P HA 0.108 nan 4.420 nan 0.000 0.265 486 P C 0.650 177.988 177.300 0.063 0.000 1.193 486 P CA 0.207 63.339 63.100 0.053 0.000 0.765 486 P CB 0.236 31.965 31.700 0.049 0.000 0.823 487 N N 0.106 118.850 118.700 0.073 0.000 2.778 487 N HA -0.214 4.519 4.740 -0.011 0.000 0.249 487 N C -0.291 175.278 175.510 0.097 0.000 1.069 487 N CA 0.878 53.980 53.050 0.086 0.000 0.831 487 N CB -1.298 37.238 38.487 0.082 0.000 1.142 487 N HN 0.376 nan 8.380 nan 0.000 0.573 488 M N 0.452 120.106 119.600 0.091 0.000 2.216 488 M HA 0.444 4.917 4.480 -0.011 0.000 0.356 488 M C -0.106 176.266 176.300 0.120 0.000 1.205 488 M CA -0.307 55.054 55.300 0.101 0.000 1.122 488 M CB 1.434 34.081 32.600 0.079 0.000 1.571 488 M HN 0.101 nan 8.290 nan 0.000 0.464 489 S N 2.729 118.531 115.700 0.170 0.000 2.451 489 S HA 0.769 5.233 4.470 -0.011 0.000 0.301 489 S C -1.057 173.657 174.600 0.189 0.000 1.116 489 S CA -0.488 57.840 58.200 0.214 0.000 1.093 489 S CB 0.528 63.999 63.200 0.452 0.000 1.017 489 S HN 0.799 nan 8.310 nan 0.000 0.482 490 T N 5.150 119.728 114.554 0.039 0.000 2.840 490 T HA 0.475 4.818 4.350 -0.011 0.000 0.287 490 T C -1.533 173.091 174.700 -0.127 0.000 0.991 490 T CA -0.323 61.798 62.100 0.034 0.000 0.964 490 T CB 0.425 69.274 68.868 -0.032 0.000 0.954 490 T HN 0.632 nan 8.240 nan 0.000 0.438 491 W N 2.121 123.400 121.300 -0.035 0.000 2.656 491 W HA 0.601 5.254 4.660 -0.012 0.000 0.327 491 W C 0.408 176.920 176.519 -0.010 0.000 1.041 491 W CA -1.009 56.315 57.345 -0.035 0.000 1.229 491 W CB 1.333 30.762 29.460 -0.051 0.000 1.397 491 W HN 0.388 nan 8.180 nan 0.000 0.479 492 R N 4.897 125.493 120.500 0.160 0.000 2.477 492 R HA 0.325 4.658 4.340 -0.011 0.000 0.285 492 R C -2.524 173.857 176.300 0.136 0.000 1.415 492 R CA -1.705 54.469 56.100 0.123 0.000 1.446 492 R CB 0.665 31.006 30.300 0.068 0.000 1.110 492 R HN 0.082 nan 8.270 nan 0.000 0.590 493 P HA 0.004 nan 4.420 nan 0.000 0.271 493 P C 0.777 178.136 177.300 0.097 0.000 1.216 493 P CA -0.234 62.967 63.100 0.168 0.000 0.776 493 P CB 1.045 32.845 31.700 0.167 0.000 0.881 494 C N 0.626 119.976 119.300 0.084 0.000 2.696 494 C HA 0.234 4.687 4.460 -0.011 0.000 0.264 494 C C 0.418 175.422 174.990 0.024 0.000 1.288 494 C CA 0.179 59.217 59.018 0.032 0.000 1.717 494 C CB -1.384 26.361 27.740 0.008 0.000 1.893 494 C HN 0.656 nan 8.230 nan 0.000 0.577 495 D N -0.780 119.647 120.400 0.044 0.000 2.851 495 D HA 0.104 4.737 4.640 -0.011 0.000 0.339 495 D C 0.742 177.061 176.300 0.032 0.000 1.347 495 D CA -0.067 53.949 54.000 0.026 0.000 0.888 495 D CB 0.256 41.065 40.800 0.014 0.000 1.431 495 D HN 0.261 nan 8.370 nan 0.000 0.509 496 Q N -0.324 119.481 119.800 0.009 0.000 2.224 496 Q HA -0.015 4.319 4.340 -0.011 0.000 0.203 496 Q C 1.271 177.258 176.000 -0.022 0.000 0.970 496 Q CA 1.593 57.395 55.803 -0.002 0.000 0.865 496 Q CB -0.340 28.381 28.738 -0.027 0.000 0.922 496 Q HN 0.284 nan 8.270 nan 0.000 0.445 497 V N 1.645 121.542 119.914 -0.027 0.000 2.302 497 V HA -0.189 3.924 4.120 -0.011 0.000 0.243 497 V C 2.109 178.213 176.094 0.016 0.000 1.036 497 V CA 1.982 64.256 62.300 -0.044 0.000 1.020 497 V CB -0.610 31.187 31.823 -0.043 0.000 0.657 497 V HN 0.370 nan 8.190 nan 0.000 0.453 498 E N 0.576 120.817 120.200 0.067 0.000 2.209 498 E HA -0.174 4.169 4.350 -0.011 0.000 0.196 498 E C 2.379 179.052 176.600 0.122 0.000 0.993 498 E CA 1.521 57.999 56.400 0.130 0.000 0.819 498 E CB -0.194 29.623 29.700 0.195 0.000 0.745 498 E HN 0.538 nan 8.360 nan 0.000 0.477 499 S N 0.820 116.583 115.700 0.105 0.000 2.368 499 S HA -0.137 4.326 4.470 -0.011 0.000 0.224 499 S C 2.140 176.843 174.600 0.172 0.000 1.029 499 S CA 0.973 59.254 58.200 0.134 0.000 0.988 499 S CB -0.102 63.178 63.200 0.132 0.000 0.838 499 S HN 0.387 nan 8.310 nan 0.000 0.462 500 A N 1.116 124.016 122.820 0.134 0.000 1.930 500 A HA -0.006 4.308 4.320 -0.011 0.000 0.217 500 A C 2.315 180.034 177.584 0.225 0.000 1.175 500 A CA 1.273 53.428 52.037 0.196 0.000 0.627 500 A CB -0.810 18.265 19.000 0.124 0.000 0.815 500 A HN 0.337 nan 8.150 nan 0.000 0.443 501 V N -0.070 119.903 119.914 0.099 0.000 2.343 501 V HA -0.247 3.867 4.120 -0.011 0.000 0.247 501 V C 3.043 179.025 176.094 -0.187 0.000 1.051 501 V CA 1.909 64.222 62.300 0.021 0.000 1.036 501 V CB -1.238 30.589 31.823 0.007 0.000 0.654 501 V HN 0.607 nan 8.190 nan 0.000 0.451 502 A N -1.253 121.376 122.820 -0.319 0.000 1.902 502 A HA -0.257 4.057 4.320 -0.011 0.000 0.217 502 A C 1.975 179.336 177.584 -0.372 0.000 1.181 502 A CA 1.851 53.422 52.037 -0.776 0.000 0.623 502 A CB -0.902 17.878 19.000 -0.367 0.000 0.818 502 A HN 0.646 nan 8.150 nan 0.000 0.443 503 W N 0.235 121.472 121.300 -0.104 0.000 2.335 503 W HA -0.183 4.470 4.660 -0.011 0.000 0.311 503 W C 2.479 179.178 176.519 0.298 0.000 1.213 503 W CA 2.068 59.464 57.345 0.084 0.000 1.274 503 W CB 0.055 29.537 29.460 0.038 0.000 1.148 503 W HN 0.330 nan 8.180 nan 0.000 0.498 504 K N -0.797 119.978 120.400 0.625 0.000 2.032 504 K HA -0.303 4.010 4.320 -0.011 0.000 0.209 504 K C 2.015 178.759 176.600 0.240 0.000 1.048 504 K CA 1.862 58.434 56.287 0.474 0.000 0.927 504 K CB -0.829 31.876 32.500 0.342 0.000 0.712 504 K HN 0.210 nan 8.250 nan 0.000 0.441 505 Y N 0.696 120.954 120.300 -0.070 0.000 2.165 505 Y HA -0.168 4.375 4.550 -0.011 0.000 0.286 505 Y C 2.130 177.995 175.900 -0.059 0.000 1.155 505 Y CA 2.021 60.043 58.100 -0.130 0.000 1.164 505 Y CB -0.652 37.545 38.460 -0.439 0.000 0.978 505 Y HN 0.196 nan 8.280 nan 0.000 0.513 506 G N -0.440 108.401 108.800 0.068 0.000 2.446 506 G HA2 -0.291 3.662 3.960 -0.011 0.000 0.217 506 G HA3 -0.291 3.662 3.960 -0.011 0.000 0.217 506 G C 1.628 176.559 174.900 0.053 0.000 1.168 506 G CA 1.950 47.065 45.100 0.025 0.000 0.771 506 G HN 0.500 nan 8.290 nan 0.000 0.551 507 V N -1.770 118.231 119.914 0.145 0.000 2.667 507 V HA 0.098 4.212 4.120 -0.011 0.000 0.252 507 V C 1.998 178.055 176.094 -0.061 0.000 1.065 507 V CA 2.052 64.410 62.300 0.098 0.000 1.083 507 V CB -0.387 31.508 31.823 0.120 0.000 0.692 507 V HN 0.429 nan 8.190 nan 0.000 0.468 508 E N 0.064 120.226 120.200 -0.062 0.000 2.478 508 E HA 0.123 4.467 4.350 -0.011 0.000 0.194 508 E C 0.710 177.225 176.600 -0.141 0.000 1.045 508 E CA -0.338 55.997 56.400 -0.108 0.000 0.868 508 E CB 0.138 29.797 29.700 -0.068 0.000 0.885 508 E HN 0.556 nan 8.360 nan 0.000 0.505 509 R N 1.145 121.557 120.500 -0.148 0.000 2.570 509 R HA 0.015 4.348 4.340 -0.011 0.000 0.277 509 R C 0.890 177.156 176.300 -0.057 0.000 1.039 509 R CA 0.560 56.587 56.100 -0.123 0.000 1.065 509 R CB 0.472 30.739 30.300 -0.055 0.000 0.964 509 R HN 0.232 nan 8.270 nan 0.000 0.428 510 Q N 0.693 120.468 119.800 -0.043 0.000 2.350 510 Q HA -0.031 4.302 4.340 -0.011 0.000 0.225 510 Q C -0.005 175.998 176.000 0.005 0.000 0.878 510 Q CA 0.494 56.284 55.803 -0.021 0.000 0.935 510 Q CB 0.691 29.414 28.738 -0.025 0.000 1.099 510 Q HN 0.615 nan 8.270 nan 0.000 0.527 511 D N -1.144 119.266 120.400 0.016 0.000 2.620 511 D HA 0.256 4.890 4.640 -0.011 0.000 0.260 511 D C 0.304 176.637 176.300 0.055 0.000 1.367 511 D CA -0.102 53.919 54.000 0.036 0.000 0.805 511 D CB 0.609 41.431 40.800 0.036 0.000 1.096 511 D HN 0.106 nan 8.370 nan 0.000 0.488 512 G N 0.401 109.236 108.800 0.059 0.000 2.338 512 G HA2 0.429 4.382 3.960 -0.011 0.000 0.295 512 G HA3 0.429 4.382 3.960 -0.011 0.000 0.295 512 G C -3.474 171.476 174.900 0.083 0.000 1.461 512 G CA -0.999 44.148 45.100 0.077 0.000 0.817 512 G HN -0.070 nan 8.290 nan 0.000 0.556 513 P HA 0.544 nan 4.420 nan 0.000 0.281 513 P C -0.764 176.603 177.300 0.111 0.000 1.264 513 P CA -0.161 62.988 63.100 0.082 0.000 0.824 513 P CB 1.764 33.509 31.700 0.075 0.000 1.092 514 T N 0.176 114.774 114.554 0.074 0.000 2.949 514 T HA 0.557 4.901 4.350 -0.011 0.000 0.300 514 T C -0.520 174.179 174.700 -0.000 0.000 0.988 514 T CA -0.338 61.830 62.100 0.112 0.000 0.993 514 T CB 1.134 70.074 68.868 0.120 0.000 0.984 514 T HN 0.462 nan 8.240 nan 0.000 0.442 515 A N 4.163 127.022 122.820 0.064 0.000 2.289 515 A HA 0.761 5.074 4.320 -0.011 0.000 0.298 515 A C -0.245 177.357 177.584 0.029 0.000 1.208 515 A CA -0.608 51.428 52.037 -0.002 0.000 0.845 515 A CB 0.160 19.257 19.000 0.162 0.000 1.125 515 A HN 0.857 nan 8.150 nan 0.000 0.517 516 L N 3.883 125.040 121.223 -0.111 0.000 2.272 516 L HA 0.390 4.724 4.340 -0.011 0.000 0.289 516 L C -0.691 176.212 176.870 0.056 0.000 1.032 516 L CA -0.648 54.163 54.840 -0.048 0.000 0.810 516 L CB 1.253 43.172 42.059 -0.234 0.000 1.205 516 L HN 0.491 nan 8.230 nan 0.000 0.422 517 I N 5.670 126.311 120.570 0.118 0.000 2.337 517 I HA 0.400 4.564 4.170 -0.011 0.000 0.285 517 I C -0.099 176.087 176.117 0.115 0.000 1.041 517 I CA -0.190 61.192 61.300 0.137 0.000 1.199 517 I CB 0.908 38.974 38.000 0.111 0.000 1.370 517 I HN 0.466 nan 8.210 nan 0.000 0.470 518 L N 5.032 126.331 121.223 0.127 0.000 2.354 518 L HA 0.532 4.865 4.340 -0.011 0.000 0.269 518 L C 0.593 177.510 176.870 0.078 0.000 1.005 518 L CA -0.675 54.230 54.840 0.108 0.000 0.819 518 L CB 2.170 44.306 42.059 0.129 0.000 1.311 518 L HN 0.583 nan 8.230 nan 0.000 0.423 519 S N 0.947 116.669 115.700 0.035 0.000 2.610 519 S HA 0.342 4.806 4.470 -0.011 0.000 0.273 519 S C 0.750 175.284 174.600 -0.109 0.000 1.274 519 S CA -0.636 57.550 58.200 -0.022 0.000 1.023 519 S CB 1.857 65.051 63.200 -0.010 0.000 0.962 519 S HN 0.764 nan 8.310 nan 0.000 0.523 520 R N 0.946 121.293 120.500 -0.255 0.000 2.073 520 R HA -0.029 4.304 4.340 -0.011 0.000 0.229 520 R C 0.905 177.113 176.300 -0.154 0.000 1.120 520 R CA 0.867 56.727 56.100 -0.400 0.000 0.967 520 R CB -0.122 29.834 30.300 -0.573 0.000 0.862 520 R HN 0.893 nan 8.270 nan 0.000 0.436 521 Q N 1.221 120.973 119.800 -0.080 0.000 2.221 521 Q HA 0.128 4.461 4.340 -0.011 0.000 0.242 521 Q C -1.075 174.918 176.000 -0.013 0.000 0.940 521 Q CA -0.603 55.187 55.803 -0.022 0.000 0.896 521 Q CB 0.620 29.375 28.738 0.027 0.000 1.226 521 Q HN -0.018 nan 8.270 nan 0.000 0.463 522 N N 1.388 120.085 118.700 -0.006 0.000 2.458 522 N HA 0.206 4.939 4.740 -0.011 0.000 0.258 522 N C -0.598 174.900 175.510 -0.020 0.000 1.219 522 N CA 0.214 53.259 53.050 -0.008 0.000 0.902 522 N CB 0.330 38.814 38.487 -0.005 0.000 1.076 522 N HN 0.457 nan 8.380 nan 0.000 0.455 523 L N 1.245 122.457 121.223 -0.019 0.000 2.341 523 L HA 0.559 4.892 4.340 -0.011 0.000 0.278 523 L C 0.530 177.384 176.870 -0.028 0.000 1.005 523 L CA -1.226 53.596 54.840 -0.031 0.000 0.818 523 L CB 1.569 43.615 42.059 -0.022 0.000 1.259 523 L HN 0.422 nan 8.230 nan 0.000 0.418 524 A N 2.776 125.573 122.820 -0.039 0.000 2.462 524 A HA 0.176 4.489 4.320 -0.011 0.000 0.243 524 A C -0.050 177.518 177.584 -0.026 0.000 1.076 524 A CA 0.008 52.025 52.037 -0.033 0.000 0.773 524 A CB 0.397 19.372 19.000 -0.043 0.000 1.010 524 A HN 0.795 nan 8.150 nan 0.000 0.493 525 Q N 1.183 120.971 119.800 -0.020 0.000 2.261 525 Q HA 0.241 4.575 4.340 -0.011 0.000 0.252 525 Q C -0.574 175.418 176.000 -0.013 0.000 0.915 525 Q CA -0.486 55.308 55.803 -0.015 0.000 0.915 525 Q CB 0.572 29.299 28.738 -0.018 0.000 1.204 525 Q HN 0.724 nan 8.270 nan 0.000 0.421 526 Q N 2.465 122.263 119.800 -0.003 0.000 2.259 526 Q HA 0.185 4.519 4.340 -0.011 0.000 0.249 526 Q C -0.781 175.224 176.000 0.008 0.000 0.914 526 Q CA -0.092 55.712 55.803 0.001 0.000 0.904 526 Q CB 1.301 30.050 28.738 0.017 0.000 1.213 526 Q HN 0.666 nan 8.270 nan 0.000 0.428 527 E N 2.003 122.206 120.200 0.004 0.000 2.373 527 E HA 0.196 4.540 4.350 -0.011 0.000 0.267 527 E C -0.365 176.250 176.600 0.023 0.000 1.032 527 E CA 0.209 56.614 56.400 0.008 0.000 0.889 527 E CB 0.777 30.480 29.700 0.005 0.000 0.984 527 E HN 0.175 nan 8.360 nan 0.000 0.425 528 R N 0.948 121.459 120.500 0.018 0.000 2.673 528 R HA 0.234 4.567 4.340 -0.011 0.000 0.281 528 R C -0.325 175.982 176.300 0.012 0.000 0.991 528 R CA -0.633 55.482 56.100 0.026 0.000 0.896 528 R CB 1.869 32.175 30.300 0.010 0.000 1.201 528 R HN 0.628 nan 8.270 nan 0.000 0.457 529 T N -1.160 113.406 114.554 0.021 0.000 2.766 529 T HA 0.062 4.405 4.350 -0.011 0.000 0.295 529 T C 1.152 175.852 174.700 0.000 0.000 1.024 529 T CA -0.655 61.454 62.100 0.015 0.000 1.018 529 T CB 0.754 69.639 68.868 0.028 0.000 1.002 529 T HN 0.429 nan 8.240 nan 0.000 0.532 530 E N 0.376 120.577 120.200 0.000 0.000 2.085 530 E HA -0.180 4.163 4.350 -0.011 0.000 0.194 530 E C 1.945 178.539 176.600 -0.009 0.000 0.994 530 E CA 1.642 58.037 56.400 -0.008 0.000 0.801 530 E CB -0.382 29.317 29.700 -0.002 0.000 0.743 530 E HN 0.944 nan 8.360 nan 0.000 0.453 531 E N 0.740 120.945 120.200 0.009 0.000 2.047 531 E HA -0.199 4.144 4.350 -0.011 0.000 0.191 531 E C 2.107 178.709 176.600 0.004 0.000 0.987 531 E CA 1.055 57.468 56.400 0.022 0.000 0.799 531 E CB 0.082 29.813 29.700 0.052 0.000 0.752 531 E HN 0.256 nan 8.360 nan 0.000 0.449 532 Q N 0.059 119.859 119.800 0.001 0.000 2.084 532 Q HA -0.184 4.149 4.340 -0.011 0.000 0.202 532 Q C 2.341 178.187 176.000 -0.257 0.000 0.978 532 Q CA 1.332 57.094 55.803 -0.067 0.000 0.844 532 Q CB -0.172 28.594 28.738 0.046 0.000 0.898 532 Q HN 0.276 nan 8.270 nan 0.000 0.426 533 L N 0.706 121.843 121.223 -0.143 0.000 2.012 533 L HA -0.180 4.153 4.340 -0.011 0.000 0.210 533 L C 2.145 178.932 176.870 -0.137 0.000 1.073 533 L CA 2.242 56.997 54.840 -0.142 0.000 0.748 533 L CB -0.804 41.210 42.059 -0.075 0.000 0.891 533 L HN 0.148 nan 8.230 nan 0.000 0.431 534 A N -0.832 121.934 122.820 -0.090 0.000 1.969 534 A HA -0.169 4.144 4.320 -0.011 0.000 0.218 534 A C 1.947 179.487 177.584 -0.073 0.000 1.169 534 A CA 1.668 53.670 52.037 -0.058 0.000 0.635 534 A CB -0.691 18.292 19.000 -0.029 0.000 0.810 534 A HN 0.609 nan 8.150 nan 0.000 0.445 535 N N -0.081 118.546 118.700 -0.123 0.000 2.467 535 N HA 0.060 4.793 4.740 -0.011 0.000 0.184 535 N C 1.369 176.784 175.510 -0.158 0.000 1.106 535 N CA 0.471 53.465 53.050 -0.093 0.000 0.892 535 N CB -0.316 38.211 38.487 0.067 0.000 0.969 535 N HN 0.584 nan 8.380 nan 0.000 0.454 536 I N 0.836 121.203 120.570 -0.339 0.000 2.194 536 I HA -0.272 3.891 4.170 -0.011 0.000 0.246 536 I C 2.099 178.343 176.117 0.212 0.000 1.093 536 I CA 1.120 62.322 61.300 -0.164 0.000 1.355 536 I CB -0.305 37.634 38.000 -0.101 0.000 1.046 536 I HN 0.061 nan 8.210 nan 0.000 0.413 537 A N 0.608 123.531 122.820 0.171 0.000 2.172 537 A HA -0.117 4.196 4.320 -0.011 0.000 0.216 537 A C 2.150 179.930 177.584 0.327 0.000 1.154 537 A CA 1.006 53.232 52.037 0.314 0.000 0.701 537 A CB -0.542 18.589 19.000 0.218 0.000 0.789 537 A HN 0.389 nan 8.150 nan 0.000 0.465 538 R N -1.335 119.276 120.500 0.185 0.000 2.320 538 R HA 0.198 4.532 4.340 -0.011 0.000 0.211 538 R C 1.533 177.967 176.300 0.224 0.000 0.931 538 R CA 0.513 56.681 56.100 0.113 0.000 1.071 538 R CB -0.103 30.096 30.300 -0.169 0.000 1.025 538 R HN 0.621 nan 8.270 nan 0.000 0.495 539 G N 0.320 109.234 108.800 0.190 0.000 2.396 539 G HA2 -0.275 3.678 3.960 -0.011 0.000 0.242 539 G HA3 -0.275 3.678 3.960 -0.011 0.000 0.242 539 G C 0.323 175.278 174.900 0.092 0.000 1.069 539 G CA 0.006 45.070 45.100 -0.060 0.000 0.633 539 G HN 0.612 nan 8.290 nan 0.000 0.517 540 G N -0.623 108.392 108.800 0.358 0.000 2.731 540 G HA2 0.855 4.808 3.960 -0.011 0.000 0.298 540 G HA3 0.855 4.808 3.960 -0.011 0.000 0.298 540 G C -0.970 174.189 174.900 0.432 0.000 1.424 540 G CA 0.165 45.330 45.100 0.109 0.000 1.029 540 G HN 1.634 nan 8.290 nan 0.000 0.518 541 Y N -0.704 119.643 120.300 0.079 0.000 2.656 541 Y HA 0.684 5.228 4.550 -0.011 0.000 0.334 541 Y C -0.956 174.953 175.900 0.015 0.000 1.179 541 Y CA -1.731 56.456 58.100 0.146 0.000 1.050 541 Y CB 1.015 39.604 38.460 0.215 0.000 1.308 541 Y HN 0.427 nan 8.280 nan 0.000 0.456 542 V N 3.703 123.672 119.914 0.092 0.000 2.439 542 V HA 0.053 4.167 4.120 -0.011 0.000 0.271 542 V C 0.563 176.667 176.094 0.016 0.000 1.040 542 V CA 0.052 62.336 62.300 -0.028 0.000 1.002 542 V CB 0.552 32.384 31.823 0.016 0.000 1.000 542 V HN 0.895 nan 8.190 nan 0.000 0.477 543 L N 5.033 126.156 121.223 -0.167 0.000 2.221 543 L HA 0.367 4.700 4.340 -0.011 0.000 0.202 543 L C 0.828 177.616 176.870 -0.137 0.000 1.074 543 L CA 1.563 56.339 54.840 -0.107 0.000 0.795 543 L CB 0.032 41.944 42.059 -0.245 0.000 0.960 543 L HN 0.435 nan 8.230 nan 0.000 0.458 544 K N 0.193 120.431 120.400 -0.270 0.000 2.426 544 K HA 0.467 4.781 4.320 -0.011 0.000 0.251 544 K C -1.391 175.064 176.600 -0.241 0.000 0.941 544 K CA -0.579 55.463 56.287 -0.409 0.000 0.808 544 K CB 2.273 34.103 32.500 -1.117 0.000 1.265 544 K HN -0.114 nan 8.250 nan 0.000 0.432 545 D N -0.032 120.354 120.400 -0.023 0.000 2.652 545 D HA 0.544 5.178 4.640 -0.011 0.000 0.285 545 D C -0.981 175.445 176.300 0.211 0.000 1.173 545 D CA -0.273 53.786 54.000 0.098 0.000 0.981 545 D CB 1.563 42.394 40.800 0.051 0.000 1.440 545 D HN 0.659 nan 8.370 nan 0.000 0.485 546 C N -0.475 118.909 119.300 0.139 0.000 2.913 546 C HA 0.991 5.444 4.460 -0.011 0.000 0.322 546 C C 0.161 175.189 174.990 0.063 0.000 1.292 546 C CA -1.005 58.076 59.018 0.104 0.000 1.649 546 C CB 0.466 28.255 27.740 0.081 0.000 2.139 546 C HN 0.646 nan 8.230 nan 0.000 0.475 547 A N 1.359 124.206 122.820 0.045 0.000 2.450 547 A HA 0.648 4.962 4.320 -0.011 0.000 0.255 547 A C 1.042 178.640 177.584 0.024 0.000 1.096 547 A CA 1.124 53.180 52.037 0.031 0.000 0.778 547 A CB -0.947 18.068 19.000 0.024 0.000 1.031 547 A HN 3.071 nan 8.150 nan 0.000 0.494 548 G N 0.956 109.769 108.800 0.021 0.000 2.741 548 G HA2 -0.082 3.871 3.960 -0.011 0.000 0.222 548 G HA3 -0.082 3.871 3.960 -0.011 0.000 0.222 548 G C -0.018 174.891 174.900 0.014 0.000 1.364 548 G CA 0.154 45.263 45.100 0.015 0.000 0.866 548 G HN 1.493 nan 8.290 nan 0.000 0.555 549 Q N 0.689 120.494 119.800 0.008 0.000 2.289 549 Q HA 0.483 4.817 4.340 -0.011 0.000 0.273 549 Q C -1.962 174.039 176.000 0.002 0.000 1.029 549 Q CA -0.847 54.959 55.803 0.005 0.000 0.896 549 Q CB 0.527 29.266 28.738 0.001 0.000 1.182 549 Q HN 0.438 nan 8.270 nan 0.000 0.385 550 P HA -0.056 nan 4.420 nan 0.000 0.269 550 P C -0.671 176.616 177.300 -0.021 0.000 1.209 550 P CA 0.168 63.266 63.100 -0.003 0.000 0.776 550 P CB 0.642 32.339 31.700 -0.005 0.000 0.876 551 E N 1.573 121.755 120.200 -0.029 0.000 2.452 551 E HA 0.161 4.505 4.350 -0.011 0.000 0.197 551 E C -0.160 176.394 176.600 -0.076 0.000 1.022 551 E CA 0.012 56.386 56.400 -0.043 0.000 0.890 551 E CB 0.177 29.855 29.700 -0.037 0.000 0.918 551 E HN 0.193 nan 8.360 nan 0.000 0.496 552 L N 1.148 122.313 121.223 -0.098 0.000 2.543 552 L HA 0.473 4.807 4.340 -0.011 0.000 0.265 552 L C -1.941 174.795 176.870 -0.222 0.000 0.945 552 L CA -0.634 54.090 54.840 -0.194 0.000 0.869 552 L CB 2.116 44.034 42.059 -0.235 0.000 1.294 552 L HN 0.043 nan 8.230 nan 0.000 0.405 553 I N 4.961 125.360 120.570 -0.285 0.000 2.418 553 I HA 0.386 4.549 4.170 -0.011 0.000 0.287 553 I C -1.011 174.898 176.117 -0.346 0.000 1.008 553 I CA -0.394 60.771 61.300 -0.225 0.000 1.104 553 I CB 1.497 39.424 38.000 -0.123 0.000 1.264 553 I HN 0.410 nan 8.210 nan 0.000 0.438 554 F N 6.424 126.327 119.950 -0.078 0.000 2.396 554 F HA 0.487 5.007 4.527 -0.012 0.000 0.343 554 F C 0.326 176.009 175.800 -0.196 0.000 1.104 554 F CA -0.368 57.556 58.000 -0.127 0.000 1.161 554 F CB 0.918 39.855 39.000 -0.105 0.000 1.146 554 F HN 0.179 nan 8.300 nan 0.000 0.522 555 I N 3.309 123.832 120.570 -0.079 0.000 2.382 555 I HA 0.652 4.816 4.170 -0.011 0.000 0.286 555 I C -0.393 175.509 176.117 -0.358 0.000 1.002 555 I CA -0.486 60.665 61.300 -0.248 0.000 1.135 555 I CB 1.283 39.105 38.000 -0.297 0.000 1.288 555 I HN 0.681 nan 8.210 nan 0.000 0.448 556 A N 4.117 126.750 122.820 -0.312 0.000 2.515 556 A HA 0.953 5.266 4.320 -0.011 0.000 0.296 556 A C -0.389 177.056 177.584 -0.231 0.000 1.094 556 A CA -0.551 51.309 52.037 -0.294 0.000 0.718 556 A CB 1.996 20.869 19.000 -0.211 0.000 1.307 556 A HN 0.643 nan 8.150 nan 0.000 0.408 557 T N -1.729 112.727 114.554 -0.163 0.000 2.906 557 T HA 0.745 5.088 4.350 -0.011 0.000 0.295 557 T C 0.812 175.482 174.700 -0.050 0.000 1.075 557 T CA 0.454 62.516 62.100 -0.063 0.000 1.005 557 T CB 1.063 69.959 68.868 0.045 0.000 1.136 557 T HN 2.643 nan 8.240 nan 0.000 0.498 558 G N 2.149 110.941 108.800 -0.012 0.000 2.634 558 G HA2 -0.367 3.587 3.960 -0.011 0.000 0.309 558 G HA3 -0.367 3.587 3.960 -0.011 0.000 0.309 558 G C 1.287 176.157 174.900 -0.049 0.000 1.265 558 G CA 1.728 46.824 45.100 -0.006 0.000 0.998 558 G HN 2.105 nan 8.290 nan 0.000 0.551 559 S N -0.154 115.508 115.700 -0.064 0.000 2.469 559 S HA 0.011 4.474 4.470 -0.011 0.000 0.238 559 S C 1.650 176.133 174.600 -0.195 0.000 0.998 559 S CA 2.128 60.256 58.200 -0.121 0.000 0.957 559 S CB 0.035 63.167 63.200 -0.113 0.000 0.764 559 S HN 0.616 nan 8.310 nan 0.000 0.514 560 E N 0.740 120.837 120.200 -0.170 0.000 2.479 560 E HA 0.234 4.578 4.350 -0.011 0.000 0.193 560 E C 1.680 178.183 176.600 -0.162 0.000 1.049 560 E CA 0.004 56.296 56.400 -0.179 0.000 0.870 560 E CB -0.157 29.465 29.700 -0.129 0.000 0.944 560 E HN 0.369 nan 8.360 nan 0.000 0.492 561 V N 0.831 120.657 119.914 -0.148 0.000 2.343 561 V HA -0.285 3.828 4.120 -0.011 0.000 0.247 561 V C 2.299 178.297 176.094 -0.159 0.000 1.051 561 V CA 2.079 64.286 62.300 -0.154 0.000 1.036 561 V CB -0.295 31.452 31.823 -0.127 0.000 0.654 561 V HN 0.347 nan 8.190 nan 0.000 0.451 562 E N -0.111 120.002 120.200 -0.145 0.000 2.085 562 E HA -0.277 4.066 4.350 -0.011 0.000 0.194 562 E C 2.181 178.689 176.600 -0.153 0.000 0.994 562 E CA 1.634 57.953 56.400 -0.135 0.000 0.801 562 E CB -0.152 29.473 29.700 -0.125 0.000 0.743 562 E HN 0.452 nan 8.360 nan 0.000 0.453 563 L N 0.861 121.981 121.223 -0.172 0.000 2.012 563 L HA -0.125 4.208 4.340 -0.011 0.000 0.210 563 L C 2.245 178.974 176.870 -0.235 0.000 1.073 563 L CA 2.355 57.093 54.840 -0.171 0.000 0.748 563 L CB -0.841 41.135 42.059 -0.138 0.000 0.891 563 L HN 0.155 nan 8.230 nan 0.000 0.431 564 A N -1.085 121.568 122.820 -0.277 0.000 1.902 564 A HA -0.140 4.174 4.320 -0.011 0.000 0.217 564 A C 2.264 179.585 177.584 -0.439 0.000 1.181 564 A CA 1.971 53.730 52.037 -0.462 0.000 0.623 564 A CB -1.135 17.665 19.000 -0.332 0.000 0.818 564 A HN 0.335 nan 8.150 nan 0.000 0.443 565 V N -0.171 119.592 119.914 -0.251 0.000 2.343 565 V HA -0.253 3.860 4.120 -0.011 0.000 0.247 565 V C 3.040 179.103 176.094 -0.052 0.000 1.051 565 V CA 1.930 64.143 62.300 -0.145 0.000 1.036 565 V CB -1.216 30.529 31.823 -0.130 0.000 0.654 565 V HN 0.621 nan 8.190 nan 0.000 0.451 566 A N -0.003 122.750 122.820 -0.112 0.000 1.902 566 A HA -0.099 4.215 4.320 -0.011 0.000 0.217 566 A C 2.444 179.964 177.584 -0.106 0.000 1.181 566 A CA 2.020 54.008 52.037 -0.082 0.000 0.623 566 A CB -0.794 18.152 19.000 -0.091 0.000 0.818 566 A HN 0.564 nan 8.150 nan 0.000 0.443 567 A N -1.145 121.540 122.820 -0.224 0.000 1.908 567 A HA -0.154 4.159 4.320 -0.011 0.000 0.218 567 A C 2.147 179.639 177.584 -0.152 0.000 1.181 567 A CA 1.765 53.642 52.037 -0.266 0.000 0.627 567 A CB -0.933 17.724 19.000 -0.572 0.000 0.818 567 A HN 0.863 nan 8.150 nan 0.000 0.445 568 Y N 0.870 120.978 120.300 -0.320 0.000 2.165 568 Y HA -0.226 4.317 4.550 -0.011 0.000 0.286 568 Y C 2.239 178.133 175.900 -0.009 0.000 1.155 568 Y CA 2.224 60.300 58.100 -0.039 0.000 1.164 568 Y CB -0.122 38.313 38.460 -0.041 0.000 0.978 568 Y HN 0.334 nan 8.280 nan 0.000 0.513 569 E N 0.614 120.805 120.200 -0.016 0.000 2.077 569 E HA -0.177 4.166 4.350 -0.011 0.000 0.193 569 E C 2.074 178.590 176.600 -0.140 0.000 0.989 569 E CA 1.144 57.475 56.400 -0.115 0.000 0.800 569 E CB -0.207 29.504 29.700 0.018 0.000 0.746 569 E HN 0.468 nan 8.360 nan 0.000 0.452 570 K N 0.625 120.973 120.400 -0.086 0.000 2.026 570 K HA -0.057 4.256 4.320 -0.011 0.000 0.208 570 K C 2.425 178.983 176.600 -0.070 0.000 1.048 570 K CA 0.666 56.914 56.287 -0.064 0.000 0.929 570 K CB -0.456 32.020 32.500 -0.041 0.000 0.713 570 K HN 0.171 nan 8.250 nan 0.000 0.439 571 L N 0.543 121.727 121.223 -0.065 0.000 2.109 571 L HA -0.114 4.219 4.340 -0.011 0.000 0.207 571 L C 2.397 179.196 176.870 -0.119 0.000 1.086 571 L CA 1.074 55.886 54.840 -0.047 0.000 0.760 571 L CB -0.608 41.479 42.059 0.046 0.000 0.910 571 L HN 0.128 nan 8.230 nan 0.000 0.437 572 T N -0.013 114.391 114.554 -0.250 0.000 2.720 572 T HA -0.210 4.133 4.350 -0.011 0.000 0.268 572 T C 1.986 176.587 174.700 -0.164 0.000 1.037 572 T CA 1.416 63.341 62.100 -0.292 0.000 1.144 572 T CB -0.240 68.283 68.868 -0.575 0.000 0.864 572 T HN 0.447 nan 8.240 nan 0.000 0.444 573 A N 1.458 124.196 122.820 -0.137 0.000 1.972 573 A HA -0.106 4.207 4.320 -0.011 0.000 0.219 573 A C 2.104 179.651 177.584 -0.060 0.000 1.169 573 A CA 1.322 53.309 52.037 -0.083 0.000 0.635 573 A CB -0.435 18.525 19.000 -0.067 0.000 0.810 573 A HN 0.571 nan 8.150 nan 0.000 0.446 574 E N -1.617 118.548 120.200 -0.059 0.000 2.418 574 E HA 0.150 4.493 4.350 -0.011 0.000 0.197 574 E C 1.135 177.710 176.600 -0.041 0.000 1.026 574 E CA 0.372 56.746 56.400 -0.042 0.000 0.862 574 E CB -0.142 29.537 29.700 -0.035 0.000 0.799 574 E HN 0.778 nan 8.360 nan 0.000 0.518 575 G N 0.939 109.706 108.800 -0.053 0.000 2.134 575 G HA2 -0.230 3.723 3.960 -0.011 0.000 0.209 575 G HA3 -0.230 3.723 3.960 -0.011 0.000 0.209 575 G C 0.219 175.093 174.900 -0.044 0.000 0.993 575 G CA 0.006 45.078 45.100 -0.046 0.000 0.669 575 G HN 0.119 nan 8.290 nan 0.000 0.519 576 V N 0.727 120.609 119.914 -0.054 0.000 2.614 576 V HA 0.288 4.401 4.120 -0.011 0.000 0.291 576 V C 0.970 177.035 176.094 -0.049 0.000 1.049 576 V CA -0.019 62.253 62.300 -0.046 0.000 1.038 576 V CB 1.397 33.196 31.823 -0.040 0.000 0.980 576 V HN 0.305 nan 8.190 nan 0.000 0.481 577 K N 4.114 124.496 120.400 -0.029 0.000 2.171 577 K HA 0.549 4.862 4.320 -0.011 0.000 0.274 577 K C -0.001 176.605 176.600 0.010 0.000 1.110 577 K CA 0.074 56.355 56.287 -0.009 0.000 0.952 577 K CB 0.561 33.059 32.500 -0.003 0.000 1.309 577 K HN 0.808 nan 8.250 nan 0.000 0.414 578 A N 3.166 126.011 122.820 0.041 0.000 2.330 578 A HA 0.670 4.983 4.320 -0.011 0.000 0.329 578 A C -0.592 177.182 177.584 0.317 0.000 1.135 578 A CA -0.795 51.323 52.037 0.134 0.000 0.817 578 A CB 1.120 20.218 19.000 0.162 0.000 1.269 578 A HN 0.726 nan 8.150 nan 0.000 0.469 579 R N 0.615 121.280 120.500 0.274 0.000 2.725 579 R HA 0.655 4.988 4.340 -0.011 0.000 0.277 579 R C -2.217 174.169 176.300 0.143 0.000 0.987 579 R CA -0.438 55.768 56.100 0.176 0.000 0.901 579 R CB 2.033 32.362 30.300 0.048 0.000 1.207 579 R HN 0.498 nan 8.270 nan 0.000 0.463 580 V N 3.833 123.701 119.914 -0.077 0.000 2.409 580 V HA 0.388 4.501 4.120 -0.011 0.000 0.291 580 V C -0.440 175.536 176.094 -0.196 0.000 1.020 580 V CA -0.797 61.437 62.300 -0.110 0.000 0.848 580 V CB 1.705 33.372 31.823 -0.261 0.000 0.990 580 V HN 0.509 nan 8.190 nan 0.000 0.430 581 V N 3.860 123.654 119.914 -0.199 0.000 2.370 581 V HA 0.374 4.487 4.120 -0.011 0.000 0.279 581 V C 0.471 176.333 176.094 -0.387 0.000 1.029 581 V CA -0.130 61.984 62.300 -0.310 0.000 0.870 581 V CB 1.835 33.485 31.823 -0.288 0.000 0.984 581 V HN 0.891 nan 8.190 nan 0.000 0.451 582 S N 5.240 120.590 115.700 -0.584 0.000 2.489 582 S HA 0.522 4.985 4.470 -0.011 0.000 0.277 582 S C -0.183 174.153 174.600 -0.440 0.000 1.230 582 S CA -0.554 57.331 58.200 -0.525 0.000 1.053 582 S CB 0.382 63.210 63.200 -0.620 0.000 0.955 582 S HN 0.678 nan 8.310 nan 0.000 0.488 583 M N 8.983 128.421 119.600 -0.270 0.000 2.854 583 M HA 0.424 4.897 4.480 -0.011 0.000 0.203 583 M C -2.012 174.216 176.300 -0.119 0.000 1.069 583 M CA -2.111 53.053 55.300 -0.228 0.000 0.803 583 M CB 1.299 33.741 32.600 -0.263 0.000 1.380 583 M HN 0.366 nan 8.290 nan 0.000 0.494 584 P HA -0.038 nan 4.420 nan 0.000 0.218 584 P C -0.007 177.110 177.300 -0.306 0.000 1.149 584 P CA 0.818 63.905 63.100 -0.021 0.000 0.817 584 P CB 0.312 32.149 31.700 0.229 0.000 0.785 585 S N -1.013 114.331 115.700 -0.593 0.000 2.779 585 S HA 0.318 4.781 4.470 -0.011 0.000 0.293 585 S C 1.040 175.384 174.600 -0.427 0.000 1.150 585 S CA -0.301 57.372 58.200 -0.880 0.000 1.057 585 S CB 0.470 62.371 63.200 -2.165 0.000 1.021 585 S HN 0.103 nan 8.310 nan 0.000 0.485 586 T N 1.234 115.650 114.554 -0.229 0.000 2.788 586 T HA -0.159 4.184 4.350 -0.011 0.000 0.268 586 T C 1.448 176.206 174.700 0.097 0.000 1.044 586 T CA 1.658 63.768 62.100 0.017 0.000 1.139 586 T CB -0.573 68.378 68.868 0.137 0.000 0.867 586 T HN 0.784 nan 8.240 nan 0.000 0.454 587 D N 2.391 122.766 120.400 -0.042 0.000 2.117 587 D HA -0.045 4.589 4.640 -0.011 0.000 0.198 587 D C 2.370 178.685 176.300 0.025 0.000 0.982 587 D CA 1.194 55.206 54.000 0.020 0.000 0.828 587 D CB -0.535 40.273 40.800 0.014 0.000 0.967 587 D HN 0.578 nan 8.370 nan 0.000 0.464 588 A N 0.617 123.369 122.820 -0.114 0.000 1.933 588 A HA -0.099 4.215 4.320 -0.011 0.000 0.218 588 A C 2.059 179.690 177.584 0.077 0.000 1.175 588 A CA 1.046 53.060 52.037 -0.038 0.000 0.628 588 A CB -1.140 17.701 19.000 -0.267 0.000 0.814 588 A HN 0.279 nan 8.150 nan 0.000 0.444 589 F N 1.364 121.286 119.950 -0.046 0.000 2.102 589 F HA -0.166 4.354 4.527 -0.011 0.000 0.298 589 F C 1.653 177.531 175.800 0.131 0.000 1.105 589 F CA 2.058 60.103 58.000 0.075 0.000 1.239 589 F CB -0.234 38.791 39.000 0.042 0.000 0.991 589 F HN 0.229 nan 8.300 nan 0.000 0.474 590 D N 0.355 120.843 120.400 0.146 0.000 2.221 590 D HA -0.162 4.471 4.640 -0.011 0.000 0.204 590 D C 1.939 178.227 176.300 -0.020 0.000 0.982 590 D CA 1.251 55.289 54.000 0.063 0.000 0.857 590 D CB -0.296 40.599 40.800 0.159 0.000 0.934 590 D HN 0.382 nan 8.370 nan 0.000 0.475 591 K N 0.102 120.509 120.400 0.010 0.000 2.459 591 K HA 0.023 4.336 4.320 -0.011 0.000 0.193 591 K C 0.675 177.270 176.600 -0.009 0.000 1.030 591 K CA 0.029 56.331 56.287 0.024 0.000 1.026 591 K CB 0.339 32.886 32.500 0.079 0.000 0.809 591 K HN 0.113 nan 8.250 nan 0.000 0.504 592 Q N 1.682 121.441 119.800 -0.068 0.000 2.417 592 Q HA -0.004 4.329 4.340 -0.011 0.000 0.241 592 Q C -0.333 175.644 176.000 -0.038 0.000 1.008 592 Q CA 0.205 55.970 55.803 -0.063 0.000 0.901 592 Q CB 0.439 29.139 28.738 -0.063 0.000 1.259 592 Q HN 0.334 nan 8.270 nan 0.000 0.489 593 D N -1.290 119.114 120.400 0.007 0.000 2.378 593 D HA 0.183 4.816 4.640 -0.011 0.000 0.238 593 D C 0.576 176.894 176.300 0.030 0.000 1.180 593 D CA 0.192 54.206 54.000 0.024 0.000 0.895 593 D CB 0.575 41.400 40.800 0.041 0.000 1.192 593 D HN 0.462 nan 8.370 nan 0.000 0.438 594 A N 1.539 124.370 122.820 0.018 0.000 2.015 594 A HA 0.059 4.372 4.320 -0.011 0.000 0.219 594 A C 2.196 179.796 177.584 0.027 0.000 1.163 594 A CA 1.441 53.484 52.037 0.010 0.000 0.646 594 A CB -1.103 17.903 19.000 0.010 0.000 0.806 594 A HN 0.707 nan 8.150 nan 0.000 0.448 595 A N -1.324 121.527 122.820 0.051 0.000 1.898 595 A HA -0.080 4.233 4.320 -0.011 0.000 0.216 595 A C 2.106 179.733 177.584 0.072 0.000 1.181 595 A CA 1.556 53.627 52.037 0.057 0.000 0.620 595 A CB -0.771 18.269 19.000 0.067 0.000 0.819 595 A HN 0.670 nan 8.150 nan 0.000 0.442 596 Y N 0.624 120.927 120.300 0.004 0.000 2.145 596 Y HA -0.199 4.344 4.550 -0.011 0.000 0.286 596 Y C 2.529 178.450 175.900 0.034 0.000 1.145 596 Y CA 2.070 60.183 58.100 0.022 0.000 1.148 596 Y CB -0.279 38.184 38.460 0.006 0.000 0.981 596 Y HN 0.242 nan 8.280 nan 0.000 0.507 597 R N -0.247 120.210 120.500 -0.072 0.000 2.096 597 R HA -0.207 4.127 4.340 -0.011 0.000 0.235 597 R C 2.152 178.466 176.300 0.023 0.000 1.127 597 R CA 1.601 57.625 56.100 -0.127 0.000 0.968 597 R CB -0.353 29.808 30.300 -0.232 0.000 0.861 597 R HN 0.329 nan 8.270 nan 0.000 0.440 598 E N 0.944 121.142 120.200 -0.003 0.000 2.110 598 E HA -0.155 4.189 4.350 -0.011 0.000 0.193 598 E C 1.827 178.415 176.600 -0.020 0.000 0.988 598 E CA 1.837 58.243 56.400 0.011 0.000 0.804 598 E CB -0.068 29.640 29.700 0.014 0.000 0.745 598 E HN 0.272 nan 8.360 nan 0.000 0.458 599 S N -1.005 114.647 115.700 -0.080 0.000 2.419 599 S HA -0.098 4.365 4.470 -0.011 0.000 0.233 599 S C 1.955 176.485 174.600 -0.117 0.000 1.016 599 S CA 1.207 59.347 58.200 -0.099 0.000 0.974 599 S CB -0.308 62.818 63.200 -0.123 0.000 0.786 599 S HN 0.138 nan 8.310 nan 0.000 0.492 600 V N 0.820 120.647 119.914 -0.145 0.000 2.492 600 V HA 0.329 4.443 4.120 -0.011 0.000 0.241 600 V C 1.006 177.087 176.094 -0.022 0.000 1.041 600 V CA 0.805 63.053 62.300 -0.087 0.000 1.057 600 V CB -0.404 31.401 31.823 -0.031 0.000 0.711 600 V HN 0.449 nan 8.190 nan 0.000 0.468 601 L N 3.055 124.317 121.223 0.066 0.000 2.502 601 L HA 0.376 4.709 4.340 -0.011 0.000 0.247 601 L C -2.543 174.367 176.870 0.067 0.000 1.180 601 L CA -1.558 53.324 54.840 0.070 0.000 0.956 601 L CB 1.155 43.303 42.059 0.149 0.000 1.282 601 L HN 0.170 nan 8.230 nan 0.000 0.470 602 P HA -0.024 nan 4.420 nan 0.000 0.264 602 P C 0.490 177.808 177.300 0.029 0.000 1.193 602 P CA -0.071 63.044 63.100 0.023 0.000 0.763 602 P CB 0.688 32.393 31.700 0.008 0.000 0.810 603 K N 2.815 123.234 120.400 0.032 0.000 2.211 603 K HA -0.139 4.174 4.320 -0.011 0.000 0.204 603 K C 1.559 178.171 176.600 0.019 0.000 1.047 603 K CA 1.585 57.890 56.287 0.031 0.000 0.935 603 K CB -0.739 31.778 32.500 0.028 0.000 0.728 603 K HN 0.321 nan 8.250 nan 0.000 0.452 604 A N 1.552 124.380 122.820 0.012 0.000 2.119 604 A HA 0.103 4.416 4.320 -0.011 0.000 0.216 604 A C 0.862 178.446 177.584 0.000 0.000 1.152 604 A CA 0.266 52.306 52.037 0.006 0.000 0.708 604 A CB 0.059 19.062 19.000 0.004 0.000 0.805 604 A HN 0.117 nan 8.150 nan 0.000 0.460 605 V N 1.793 121.706 119.914 -0.001 0.000 2.320 605 V HA 0.160 4.274 4.120 -0.011 0.000 0.265 605 V C 1.437 177.523 176.094 -0.013 0.000 1.048 605 V CA 0.559 62.851 62.300 -0.013 0.000 0.865 605 V CB 0.336 32.146 31.823 -0.021 0.000 1.043 605 V HN 0.607 nan 8.190 nan 0.000 0.474 606 T N 1.036 115.579 114.554 -0.017 0.000 3.057 606 T HA 0.179 4.522 4.350 -0.011 0.000 0.254 606 T C 1.000 175.682 174.700 -0.031 0.000 1.094 606 T CA 0.566 62.658 62.100 -0.013 0.000 1.088 606 T CB 0.259 69.124 68.868 -0.006 0.000 0.934 606 T HN 0.646 nan 8.240 nan 0.000 0.497 607 A N 2.212 125.000 122.820 -0.055 0.000 2.915 607 A HA 0.543 4.857 4.320 -0.011 0.000 0.292 607 A C 0.192 177.694 177.584 -0.135 0.000 1.632 607 A CA -0.683 51.301 52.037 -0.089 0.000 1.337 607 A CB -0.471 18.471 19.000 -0.096 0.000 1.111 607 A HN 0.506 nan 8.150 nan 0.000 0.569 608 R N 0.784 121.215 120.500 -0.116 0.000 2.494 608 R HA 0.583 4.917 4.340 -0.011 0.000 0.305 608 R C -1.386 174.822 176.300 -0.153 0.000 0.959 608 R CA -0.625 55.392 56.100 -0.137 0.000 0.864 608 R CB 2.426 32.693 30.300 -0.056 0.000 1.159 608 R HN 0.281 nan 8.270 nan 0.000 0.446 609 V N 2.475 122.260 119.914 -0.215 0.000 2.376 609 V HA 0.453 4.566 4.120 -0.011 0.000 0.287 609 V C -0.042 175.986 176.094 -0.111 0.000 1.015 609 V CA -0.871 61.339 62.300 -0.149 0.000 0.834 609 V CB 1.476 33.210 31.823 -0.148 0.000 1.001 609 V HN 0.929 nan 8.190 nan 0.000 0.428 610 A N 4.892 127.601 122.820 -0.184 0.000 2.327 610 A HA 0.812 5.125 4.320 -0.011 0.000 0.283 610 A C -0.446 176.928 177.584 -0.349 0.000 1.127 610 A CA -0.362 51.427 52.037 -0.414 0.000 0.810 610 A CB 0.970 19.594 19.000 -0.626 0.000 1.066 610 A HN 0.799 nan 8.150 nan 0.000 0.492 611 V N 2.326 121.998 119.914 -0.403 0.000 2.488 611 V HA 0.635 4.748 4.120 -0.011 0.000 0.293 611 V C -0.446 175.534 176.094 -0.189 0.000 1.027 611 V CA -0.343 61.852 62.300 -0.175 0.000 0.862 611 V CB 1.063 32.843 31.823 -0.072 0.000 1.008 611 V HN 1.047 nan 8.190 nan 0.000 0.428 612 E N 3.582 123.785 120.200 0.004 0.000 2.388 612 E HA 0.609 4.953 4.350 -0.011 0.000 0.289 612 E C -0.671 176.034 176.600 0.174 0.000 0.944 612 E CA -0.623 55.801 56.400 0.040 0.000 0.792 612 E CB 1.951 31.691 29.700 0.066 0.000 1.239 612 E HN 0.809 nan 8.360 nan 0.000 0.412 613 A N 3.345 126.097 122.820 -0.113 0.000 3.051 613 A HA 0.575 4.889 4.320 -0.011 0.000 0.257 613 A C 0.258 177.825 177.584 -0.028 0.000 1.785 613 A CA 0.761 52.628 52.037 -0.283 0.000 1.420 613 A CB -0.581 18.087 19.000 -0.555 0.000 1.063 613 A HN 0.546 nan 8.150 nan 0.000 0.630 614 G N -0.524 108.350 108.800 0.124 0.000 2.687 614 G HA2 0.478 4.431 3.960 -0.011 0.000 0.291 614 G HA3 0.478 4.431 3.960 -0.011 0.000 0.291 614 G C -0.817 174.183 174.900 0.168 0.000 1.420 614 G CA -0.803 44.362 45.100 0.108 0.000 0.796 614 G HN 0.314 nan 8.290 nan 0.000 0.485 615 I N 1.378 122.017 120.570 0.116 0.000 2.752 615 I HA 0.327 4.490 4.170 -0.011 0.000 0.289 615 I C 1.753 178.007 176.117 0.228 0.000 1.197 615 I CA 0.678 62.047 61.300 0.115 0.000 1.432 615 I CB 1.236 39.269 38.000 0.054 0.000 1.359 615 I HN 0.694 nan 8.210 nan 0.000 0.571 616 A N 5.056 127.994 122.820 0.198 0.000 1.933 616 A HA -0.146 4.167 4.320 -0.011 0.000 0.218 616 A C 1.823 179.548 177.584 0.235 0.000 1.175 616 A CA 1.585 53.760 52.037 0.229 0.000 0.628 616 A CB -0.577 18.497 19.000 0.123 0.000 0.814 616 A HN 0.813 nan 8.150 nan 0.000 0.444 617 D N -1.658 118.880 120.400 0.231 0.000 2.221 617 D HA -0.176 4.458 4.640 -0.011 0.000 0.204 617 D C 1.488 177.934 176.300 0.243 0.000 0.982 617 D CA 1.254 55.440 54.000 0.309 0.000 0.857 617 D CB -0.382 40.541 40.800 0.206 0.000 0.934 617 D HN 0.637 nan 8.370 nan 0.000 0.475 618 Y N -0.537 119.782 120.300 0.031 0.000 2.207 618 Y HA -0.223 4.320 4.550 -0.012 0.000 0.287 618 Y C 1.611 177.387 175.900 -0.206 0.000 1.156 618 Y CA 1.499 59.496 58.100 -0.172 0.000 1.182 618 Y CB -0.521 37.690 38.460 -0.415 0.000 0.979 618 Y HN 0.008 nan 8.280 nan 0.000 0.521 619 W N -1.558 119.715 121.300 -0.046 0.000 2.937 619 W HA -0.042 4.612 4.660 -0.011 0.000 0.245 619 W C 1.501 177.902 176.519 -0.196 0.000 1.306 619 W CA 0.355 57.646 57.345 -0.090 0.000 1.470 619 W CB -0.548 28.911 29.460 -0.001 0.000 1.132 619 W HN 0.074 nan 8.180 nan 0.000 0.675 620 Y N 0.879 121.187 120.300 0.014 0.000 2.315 620 Y HA -0.290 4.253 4.550 -0.012 0.000 0.288 620 Y C 2.423 178.238 175.900 -0.142 0.000 1.154 620 Y CA 1.670 59.747 58.100 -0.038 0.000 1.229 620 Y CB -0.755 37.667 38.460 -0.063 0.000 0.980 620 Y HN -0.026 nan 8.280 nan 0.000 0.540 621 K N -0.497 119.776 120.400 -0.212 0.000 2.113 621 K HA -0.238 4.075 4.320 -0.011 0.000 0.208 621 K C 0.975 177.293 176.600 -0.471 0.000 1.047 621 K CA 1.975 57.989 56.287 -0.456 0.000 0.928 621 K CB -0.279 31.712 32.500 -0.847 0.000 0.716 621 K HN 0.373 nan 8.250 nan 0.000 0.446 622 Y N -1.201 119.111 120.300 0.020 0.000 2.498 622 Y HA 0.036 4.579 4.550 -0.011 0.000 0.259 622 Y C 1.730 177.676 175.900 0.078 0.000 1.086 622 Y CA 0.199 58.358 58.100 0.098 0.000 1.287 622 Y CB 0.767 39.349 38.460 0.204 0.000 1.146 622 Y HN -0.001 nan 8.280 nan 0.000 0.523 623 V N -3.392 116.630 119.914 0.181 0.000 3.644 623 V HA 0.615 4.728 4.120 -0.011 0.000 0.267 623 V C 1.229 177.372 176.094 0.081 0.000 1.277 623 V CA 0.403 62.758 62.300 0.093 0.000 1.096 623 V CB -0.398 31.439 31.823 0.024 0.000 0.828 623 V HN 0.379 nan 8.190 nan 0.000 0.446 624 G N 1.315 110.182 108.800 0.112 0.000 2.575 624 G HA2 -0.307 3.647 3.960 -0.011 0.000 0.267 624 G HA3 -0.307 3.647 3.960 -0.011 0.000 0.267 624 G C 0.275 175.296 174.900 0.201 0.000 1.264 624 G CA 0.435 45.611 45.100 0.126 0.000 0.935 624 G HN 0.568 nan 8.290 nan 0.000 0.568 625 L N 0.866 122.163 121.223 0.123 0.000 2.567 625 L HA 0.235 4.568 4.340 -0.011 0.000 0.225 625 L C 1.557 178.480 176.870 0.090 0.000 1.119 625 L CA 0.417 55.328 54.840 0.118 0.000 0.871 625 L CB -0.085 42.000 42.059 0.044 0.000 1.036 625 L HN 0.459 nan 8.230 nan 0.000 0.459 626 N N 0.009 118.746 118.700 0.063 0.000 2.291 626 N HA 0.195 4.928 4.740 -0.011 0.000 0.244 626 N C 0.416 175.934 175.510 0.013 0.000 1.216 626 N CA 0.132 53.200 53.050 0.031 0.000 0.879 626 N CB 1.583 40.080 38.487 0.015 0.000 1.167 626 N HN 0.194 nan 8.380 nan 0.000 0.515 627 G N -0.072 108.739 108.800 0.019 0.000 3.119 627 G HA2 0.810 4.763 3.960 -0.011 0.000 0.206 627 G HA3 0.810 4.763 3.960 -0.011 0.000 0.206 627 G C -1.229 173.651 174.900 -0.032 0.000 1.313 627 G CA -0.399 44.689 45.100 -0.021 0.000 1.010 627 G HN 0.171 nan 8.290 nan 0.000 0.578 628 A N -1.201 121.579 122.820 -0.066 0.000 2.539 628 A HA 0.769 5.082 4.320 -0.011 0.000 0.296 628 A C -1.443 176.079 177.584 -0.103 0.000 1.073 628 A CA -0.522 51.473 52.037 -0.070 0.000 0.700 628 A CB 1.349 20.316 19.000 -0.055 0.000 1.296 628 A HN 0.603 nan 8.150 nan 0.000 0.405 629 I N 1.251 121.757 120.570 -0.106 0.000 2.478 629 I HA 0.338 4.501 4.170 -0.011 0.000 0.287 629 I C -0.918 175.148 176.117 -0.086 0.000 1.042 629 I CA -0.780 60.451 61.300 -0.115 0.000 1.067 629 I CB 2.222 40.140 38.000 -0.137 0.000 1.233 629 I HN 0.277 nan 8.210 nan 0.000 0.431 630 V N 6.002 125.858 119.914 -0.096 0.000 2.270 630 V HA 0.643 4.756 4.120 -0.011 0.000 0.263 630 V C 0.622 176.676 176.094 -0.067 0.000 1.066 630 V CA -0.020 62.197 62.300 -0.138 0.000 0.857 630 V CB 0.291 32.026 31.823 -0.146 0.000 1.099 630 V HN 0.956 nan 8.190 nan 0.000 0.476 631 G N 4.104 112.887 108.800 -0.029 0.000 3.135 631 G HA2 0.675 4.628 3.960 -0.011 0.000 0.278 631 G HA3 0.675 4.628 3.960 -0.011 0.000 0.278 631 G C -0.973 174.057 174.900 0.216 0.000 1.302 631 G CA -0.868 44.358 45.100 0.210 0.000 0.880 631 G HN 0.235 nan 8.290 nan 0.000 0.574 632 M N 1.398 121.137 119.600 0.233 0.000 2.363 632 M HA 0.360 4.833 4.480 -0.011 0.000 0.343 632 M C 0.671 176.989 176.300 0.029 0.000 1.165 632 M CA -0.352 54.999 55.300 0.085 0.000 1.046 632 M CB 1.152 33.741 32.600 -0.019 0.000 1.648 632 M HN 0.689 nan 8.290 nan 0.000 0.452 633 T N -2.573 111.979 114.554 -0.004 0.000 3.111 633 T HA 0.249 4.593 4.350 -0.011 0.000 0.284 633 T C 0.380 175.031 174.700 -0.081 0.000 0.983 633 T CA -0.109 61.980 62.100 -0.018 0.000 0.900 633 T CB -0.119 68.763 68.868 0.024 0.000 1.132 633 T HN 0.744 nan 8.240 nan 0.000 0.531 634 T N -0.942 113.536 114.554 -0.127 0.000 2.812 634 T HA 0.733 5.076 4.350 -0.011 0.000 0.294 634 T C -0.714 173.831 174.700 -0.259 0.000 1.159 634 T CA -0.888 61.115 62.100 -0.162 0.000 1.008 634 T CB 0.853 69.759 68.868 0.064 0.000 1.289 634 T HN -0.028 nan 8.240 nan 0.000 0.514 635 F N 0.934 120.875 119.950 -0.015 0.000 2.485 635 F HA 0.526 5.045 4.527 -0.013 0.000 0.327 635 F C 1.788 177.542 175.800 -0.077 0.000 1.203 635 F CA 0.685 58.661 58.000 -0.040 0.000 1.295 635 F CB -0.000 39.006 39.000 0.011 0.000 1.191 635 F HN 0.989 nan 8.300 nan 0.000 0.588 636 G N -0.180 108.695 108.800 0.125 0.000 2.489 636 G HA2 0.442 4.395 3.960 -0.011 0.000 0.271 636 G HA3 0.442 4.395 3.960 -0.011 0.000 0.271 636 G C -0.818 174.234 174.900 0.252 0.000 1.427 636 G CA -0.358 44.773 45.100 0.051 0.000 1.057 636 G HN 0.458 nan 8.290 nan 0.000 0.532 637 E N -1.392 118.958 120.200 0.250 0.000 2.390 637 E HA 0.311 4.655 4.350 -0.011 0.000 0.277 637 E C -1.141 175.515 176.600 0.094 0.000 0.939 637 E CA -0.691 55.819 56.400 0.183 0.000 0.769 637 E CB 1.837 31.656 29.700 0.199 0.000 1.251 637 E HN 0.317 nan 8.360 nan 0.000 0.450 638 S N 0.816 116.546 115.700 0.050 0.000 2.405 638 S HA 0.624 5.087 4.470 -0.011 0.000 0.291 638 S C -0.650 173.956 174.600 0.009 0.000 1.137 638 S CA 0.180 58.389 58.200 0.014 0.000 1.061 638 S CB -0.470 62.731 63.200 0.001 0.000 1.001 638 S HN 0.560 nan 8.310 nan 0.000 0.507 639 A N 6.010 128.830 122.820 0.001 0.000 2.567 639 A HA 0.708 5.022 4.320 -0.011 0.000 0.291 639 A C -3.251 174.324 177.584 -0.014 0.000 1.048 639 A CA -1.362 50.672 52.037 -0.005 0.000 0.661 639 A CB 0.444 19.443 19.000 -0.003 0.000 1.288 639 A HN 0.544 nan 8.150 nan 0.000 0.424 640 P HA 0.252 nan 4.420 nan 0.000 0.265 640 P C 1.069 178.361 177.300 -0.013 0.000 1.187 640 P CA 0.960 64.056 63.100 -0.006 0.000 0.766 640 P CB 0.780 32.485 31.700 0.008 0.000 0.820 641 A N 3.741 126.548 122.820 -0.022 0.000 1.903 641 A HA -0.294 4.019 4.320 -0.011 0.000 0.219 641 A C 2.150 179.760 177.584 0.044 0.000 1.191 641 A CA 2.185 54.185 52.037 -0.061 0.000 0.638 641 A CB -1.387 17.616 19.000 0.005 0.000 0.823 641 A HN 0.669 nan 8.150 nan 0.000 0.451 642 E N -0.281 119.998 120.200 0.131 0.000 2.085 642 E HA -0.206 4.138 4.350 -0.011 0.000 0.194 642 E C 1.929 178.621 176.600 0.153 0.000 0.994 642 E CA 1.453 57.967 56.400 0.190 0.000 0.801 642 E CB -0.243 29.526 29.700 0.114 0.000 0.743 642 E HN 0.658 nan 8.360 nan 0.000 0.453 643 L N 0.468 121.736 121.223 0.075 0.000 2.093 643 L HA -0.150 4.183 4.340 -0.011 0.000 0.208 643 L C 2.564 179.456 176.870 0.037 0.000 1.085 643 L CA 0.561 55.428 54.840 0.045 0.000 0.755 643 L CB -0.308 41.758 42.059 0.013 0.000 0.904 643 L HN 0.235 nan 8.230 nan 0.000 0.435 644 L N -1.345 119.889 121.223 0.019 0.000 2.017 644 L HA -0.208 4.125 4.340 -0.011 0.000 0.208 644 L C 2.583 179.555 176.870 0.169 0.000 1.073 644 L CA 1.293 56.160 54.840 0.044 0.000 0.745 644 L CB -0.565 41.480 42.059 -0.024 0.000 0.894 644 L HN 0.114 nan 8.230 nan 0.000 0.432 645 F N 0.459 120.535 119.950 0.210 0.000 2.126 645 F HA -0.245 4.276 4.527 -0.010 0.000 0.299 645 F C 2.650 178.615 175.800 0.275 0.000 1.096 645 F CA 1.679 59.847 58.000 0.280 0.000 1.255 645 F CB -0.546 38.541 39.000 0.144 0.000 0.997 645 F HN 0.169 nan 8.300 nan 0.000 0.479 646 E N 0.264 120.651 120.200 0.311 0.000 2.031 646 E HA -0.290 4.053 4.350 -0.011 0.000 0.193 646 E C 2.193 178.838 176.600 0.076 0.000 0.994 646 E CA 1.429 57.925 56.400 0.162 0.000 0.800 646 E CB -0.133 29.622 29.700 0.092 0.000 0.752 646 E HN 0.328 nan 8.360 nan 0.000 0.447 647 E N -0.187 120.004 120.200 -0.014 0.000 2.118 647 E HA -0.187 4.156 4.350 -0.011 0.000 0.195 647 E C 1.238 177.672 176.600 -0.276 0.000 0.992 647 E CA 1.417 57.684 56.400 -0.222 0.000 0.804 647 E CB -0.281 29.171 29.700 -0.414 0.000 0.741 647 E HN 0.308 nan 8.360 nan 0.000 0.458 648 F N -0.888 119.135 119.950 0.121 0.000 2.732 648 F HA 0.354 4.875 4.527 -0.012 0.000 0.303 648 F C 1.583 177.329 175.800 -0.090 0.000 1.110 648 F CA 0.576 58.641 58.000 0.108 0.000 1.355 648 F CB 0.769 39.936 39.000 0.277 0.000 1.081 648 F HN 0.218 nan 8.300 nan 0.000 0.565 649 G N -0.399 108.428 108.800 0.044 0.000 2.141 649 G HA2 -0.295 3.658 3.960 -0.011 0.000 0.231 649 G HA3 -0.295 3.658 3.960 -0.011 0.000 0.231 649 G C 0.159 174.897 174.900 -0.269 0.000 0.984 649 G CA -0.557 44.455 45.100 -0.146 0.000 0.660 649 G HN 0.203 nan 8.290 nan 0.000 0.525 650 F N 2.896 122.941 119.950 0.159 0.000 2.640 650 F HA 0.481 5.001 4.527 -0.012 0.000 0.354 650 F C 1.264 177.087 175.800 0.038 0.000 1.213 650 F CA 0.561 58.626 58.000 0.108 0.000 1.314 650 F CB 0.214 39.344 39.000 0.217 0.000 1.679 650 F HN 0.250 nan 8.300 nan 0.000 0.622 651 T N -3.703 110.894 114.554 0.072 0.000 2.907 651 T HA 0.420 4.763 4.350 -0.011 0.000 0.292 651 T C 0.837 175.529 174.700 -0.015 0.000 1.043 651 T CA -0.775 61.344 62.100 0.031 0.000 1.003 651 T CB 1.745 70.626 68.868 0.023 0.000 1.084 651 T HN -0.083 nan 8.240 nan 0.000 0.483 652 V N 1.343 121.240 119.914 -0.029 0.000 2.332 652 V HA -0.154 3.959 4.120 -0.011 0.000 0.248 652 V C 2.396 178.469 176.094 -0.035 0.000 1.055 652 V CA 2.127 64.396 62.300 -0.051 0.000 1.038 652 V CB -0.816 30.975 31.823 -0.053 0.000 0.651 652 V HN 0.893 nan 8.190 nan 0.000 0.450 653 D N 0.079 120.466 120.400 -0.022 0.000 2.104 653 D HA -0.182 4.452 4.640 -0.011 0.000 0.194 653 D C 2.090 178.381 176.300 -0.016 0.000 0.994 653 D CA 1.738 55.728 54.000 -0.016 0.000 0.830 653 D CB -0.453 40.340 40.800 -0.013 0.000 0.959 653 D HN 0.474 nan 8.370 nan 0.000 0.452 654 N N -0.083 118.603 118.700 -0.025 0.000 2.142 654 N HA -0.114 4.619 4.740 -0.011 0.000 0.186 654 N C 1.672 177.166 175.510 -0.026 0.000 1.023 654 N CA 0.775 53.804 53.050 -0.035 0.000 0.852 654 N CB -0.079 38.371 38.487 -0.062 0.000 0.998 654 N HN -0.044 nan 8.380 nan 0.000 0.424 655 V N -0.161 119.737 119.914 -0.026 0.000 2.295 655 V HA -0.183 3.930 4.120 -0.011 0.000 0.246 655 V C 2.312 178.460 176.094 0.089 0.000 1.049 655 V CA 1.371 63.679 62.300 0.013 0.000 1.024 655 V CB -0.551 31.241 31.823 -0.052 0.000 0.648 655 V HN 0.175 nan 8.190 nan 0.000 0.447 656 V N 0.355 120.299 119.914 0.050 0.000 2.287 656 V HA -0.287 3.826 4.120 -0.011 0.000 0.248 656 V C 2.723 178.852 176.094 0.058 0.000 1.053 656 V CA 2.145 64.493 62.300 0.079 0.000 1.027 656 V CB -1.170 30.672 31.823 0.031 0.000 0.646 656 V HN 0.568 nan 8.190 nan 0.000 0.447 657 A N -0.399 122.436 122.820 0.025 0.000 1.902 657 A HA -0.201 4.113 4.320 -0.011 0.000 0.217 657 A C 2.273 179.863 177.584 0.010 0.000 1.181 657 A CA 1.652 53.695 52.037 0.010 0.000 0.623 657 A CB -0.399 18.600 19.000 -0.003 0.000 0.818 657 A HN 0.426 nan 8.150 nan 0.000 0.443 658 K N -0.033 120.376 120.400 0.014 0.000 2.097 658 K HA -0.017 4.297 4.320 -0.011 0.000 0.205 658 K C 2.249 178.850 176.600 0.002 0.000 1.050 658 K CA 1.288 57.577 56.287 0.004 0.000 0.938 658 K CB -0.831 31.668 32.500 -0.002 0.000 0.718 658 K HN 0.457 nan 8.250 nan 0.000 0.442 659 A N 1.965 124.806 122.820 0.034 0.000 1.877 659 A HA -0.173 4.141 4.320 -0.011 0.000 0.216 659 A C 2.104 179.671 177.584 -0.028 0.000 1.186 659 A CA 1.580 53.606 52.037 -0.017 0.000 0.620 659 A CB -0.331 18.704 19.000 0.059 0.000 0.822 659 A HN 0.258 nan 8.150 nan 0.000 0.443 660 K N -0.356 120.045 120.400 0.001 0.000 2.147 660 K HA -0.153 4.160 4.320 -0.011 0.000 0.205 660 K C 1.883 178.473 176.600 -0.017 0.000 1.049 660 K CA 1.432 57.714 56.287 -0.009 0.000 0.936 660 K CB -0.171 32.329 32.500 0.000 0.000 0.722 660 K HN 0.620 nan 8.250 nan 0.000 0.446 661 E N 0.805 120.996 120.200 -0.015 0.000 2.118 661 E HA -0.178 4.165 4.350 -0.011 0.000 0.195 661 E C 1.922 178.508 176.600 -0.023 0.000 0.992 661 E CA 0.938 57.328 56.400 -0.016 0.000 0.804 661 E CB -0.043 29.649 29.700 -0.013 0.000 0.741 661 E HN 0.272 nan 8.360 nan 0.000 0.458 662 L N 0.580 121.782 121.223 -0.035 0.000 2.156 662 L HA -0.028 4.305 4.340 -0.011 0.000 0.208 662 L C 1.331 178.175 176.870 -0.042 0.000 1.095 662 L CA 0.275 55.089 54.840 -0.043 0.000 0.770 662 L CB -0.221 41.797 42.059 -0.069 0.000 0.914 662 L HN 0.065 nan 8.230 nan 0.000 0.439 663 L N 0.000 121.197 121.223 -0.043 0.000 2.949 663 L HA 0.000 4.333 4.340 -0.011 0.000 0.249 663 L CA 0.000 54.816 54.840 -0.039 0.000 0.813 663 L CB 0.000 42.033 42.059 -0.043 0.000 0.961 663 L HN 0.000 nan 8.230 nan 0.000 0.502