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 2r5n_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 LLHHHH 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 0.000 174.609 174.600 0.016 0.000 1.055 2 S CA 0.000 58.219 58.200 0.032 0.000 1.107 2 S CB 0.000 63.237 63.200 0.061 0.000 0.593 3 S N 0.983 116.703 115.700 0.033 0.000 2.614 3 S HA 0.370 4.840 4.470 -0.001 0.000 0.265 3 S C 1.095 175.702 174.600 0.012 0.000 1.303 3 S CA -0.654 57.559 58.200 0.022 0.000 1.000 3 S CB 0.485 63.708 63.200 0.038 0.000 0.935 3 S HN 0.721 nan 8.310 nan 0.000 0.551 4 R N 1.141 121.635 120.500 -0.010 0.000 2.091 4 R HA -0.096 4.244 4.340 -0.001 0.000 0.238 4 R C 2.191 178.496 176.300 0.009 0.000 1.136 4 R CA 1.647 57.727 56.100 -0.032 0.000 0.959 4 R CB -0.462 29.817 30.300 -0.035 0.000 0.856 4 R HN 0.690 nan 8.270 nan 0.000 0.437 5 K N 0.900 121.323 120.400 0.038 0.000 2.057 5 K HA -0.163 4.156 4.320 -0.001 0.000 0.207 5 K C 2.036 178.709 176.600 0.123 0.000 1.049 5 K CA 1.432 57.758 56.287 0.065 0.000 0.931 5 K CB -0.053 32.494 32.500 0.077 0.000 0.714 5 K HN 0.311 nan 8.250 nan 0.000 0.440 6 E N 0.902 121.193 120.200 0.152 0.000 2.077 6 E HA -0.177 4.173 4.350 -0.001 0.000 0.193 6 E C 2.096 178.887 176.600 0.319 0.000 0.989 6 E CA 1.003 57.560 56.400 0.263 0.000 0.800 6 E CB -0.124 29.711 29.700 0.225 0.000 0.746 6 E HN 0.240 nan 8.360 nan 0.000 0.452 7 L N 0.485 121.829 121.223 0.202 0.000 2.046 7 L HA -0.164 4.176 4.340 -0.001 0.000 0.208 7 L C 2.605 179.718 176.870 0.405 0.000 1.077 7 L CA 0.973 55.967 54.840 0.256 0.000 0.747 7 L CB -0.496 41.475 42.059 -0.147 0.000 0.896 7 L HN 0.141 nan 8.230 nan 0.000 0.432 8 A N 0.177 123.124 122.820 0.212 0.000 1.930 8 A HA -0.183 4.136 4.320 -0.001 0.000 0.217 8 A C 1.981 179.590 177.584 0.041 0.000 1.175 8 A CA 1.631 53.770 52.037 0.169 0.000 0.627 8 A CB -0.515 18.521 19.000 0.062 0.000 0.815 8 A HN 0.419 nan 8.150 nan 0.000 0.443 9 N N 0.663 119.379 118.700 0.027 0.000 2.364 9 N HA -0.084 4.655 4.740 -0.001 0.000 0.183 9 N C 1.740 176.870 175.510 -0.635 0.000 1.022 9 N CA 1.262 54.218 53.050 -0.157 0.000 0.883 9 N CB -0.516 38.009 38.487 0.063 0.000 0.965 9 N HN 0.492 nan 8.380 nan 0.000 0.438 10 A N 1.122 123.637 122.820 -0.508 0.000 1.908 10 A HA -0.111 4.208 4.320 -0.001 0.000 0.218 10 A C 2.267 179.518 177.584 -0.555 0.000 1.181 10 A CA 0.973 52.592 52.037 -0.697 0.000 0.627 10 A CB -0.632 18.311 19.000 -0.095 0.000 0.818 10 A HN 0.236 nan 8.150 nan 0.000 0.445 11 I N -0.902 119.443 120.570 -0.376 0.000 2.179 11 I HA -0.281 3.889 4.170 -0.001 0.000 0.242 11 I C 2.762 178.672 176.117 -0.345 0.000 1.088 11 I CA 1.419 62.505 61.300 -0.358 0.000 1.357 11 I CB -0.397 37.443 38.000 -0.266 0.000 1.051 11 I HN 0.296 nan 8.210 nan 0.000 0.409 12 R N 0.874 121.180 120.500 -0.323 0.000 2.091 12 R HA -0.177 4.162 4.340 -0.001 0.000 0.238 12 R C 2.454 178.529 176.300 -0.374 0.000 1.136 12 R CA 1.649 57.581 56.100 -0.281 0.000 0.959 12 R CB -0.591 29.591 30.300 -0.195 0.000 0.856 12 R HN 0.396 nan 8.270 nan 0.000 0.437 13 A N 1.414 123.871 122.820 -0.605 0.000 1.855 13 A HA -0.111 4.209 4.320 -0.001 0.000 0.215 13 A C 2.256 179.562 177.584 -0.464 0.000 1.191 13 A CA 1.085 52.743 52.037 -0.631 0.000 0.613 13 A CB -0.616 17.675 19.000 -1.181 0.000 0.829 13 A HN 0.162 nan 8.150 nan 0.000 0.442 14 L N -0.242 120.709 121.223 -0.452 0.000 2.042 14 L HA -0.198 4.141 4.340 -0.001 0.000 0.210 14 L C 2.881 179.538 176.870 -0.355 0.000 1.076 14 L CA 1.541 56.150 54.840 -0.385 0.000 0.749 14 L CB -0.485 41.392 42.059 -0.302 0.000 0.893 14 L HN 0.349 nan 8.230 nan 0.000 0.432 15 S N 0.289 115.792 115.700 -0.328 0.000 2.345 15 S HA -0.186 4.283 4.470 -0.001 0.000 0.220 15 S C 1.962 176.407 174.600 -0.258 0.000 1.031 15 S CA 1.836 59.856 58.200 -0.300 0.000 0.996 15 S CB -0.282 62.767 63.200 -0.252 0.000 0.882 15 S HN 0.501 nan 8.310 nan 0.000 0.445 16 M N 1.393 120.858 119.600 -0.225 0.000 2.159 16 M HA -0.087 4.393 4.480 -0.001 0.000 0.263 16 M C 0.994 177.192 176.300 -0.169 0.000 1.063 16 M CA 1.726 56.927 55.300 -0.166 0.000 1.110 16 M CB -0.719 31.797 32.600 -0.140 0.000 1.374 16 M HN -0.038 nan 8.290 nan 0.000 0.411 17 D N 1.371 121.612 120.400 -0.264 0.000 2.144 17 D HA 0.013 4.652 4.640 -0.001 0.000 0.200 17 D C 2.327 178.501 176.300 -0.210 0.000 0.978 17 D CA 1.807 55.611 54.000 -0.326 0.000 0.833 17 D CB -0.184 40.228 40.800 -0.646 0.000 0.961 17 D HN 0.553 nan 8.370 nan 0.000 0.470 18 A N 0.666 123.368 122.820 -0.196 0.000 1.898 18 A HA -0.105 4.215 4.320 -0.001 0.000 0.216 18 A C 2.514 180.172 177.584 0.124 0.000 1.181 18 A CA 1.011 53.087 52.037 0.064 0.000 0.620 18 A CB -0.703 18.214 19.000 -0.138 0.000 0.819 18 A HN 0.127 nan 8.150 nan 0.000 0.442 19 V N -0.156 119.753 119.914 -0.009 0.000 2.343 19 V HA -0.287 3.833 4.120 -0.001 0.000 0.247 19 V C 2.744 178.921 176.094 0.138 0.000 1.051 19 V CA 2.374 64.767 62.300 0.154 0.000 1.036 19 V CB -0.750 31.105 31.823 0.053 0.000 0.654 19 V HN 0.672 nan 8.190 nan 0.000 0.451 20 Q N 0.579 120.417 119.800 0.064 0.000 2.084 20 Q HA -0.217 4.123 4.340 -0.001 0.000 0.202 20 Q C 2.244 178.305 176.000 0.102 0.000 0.978 20 Q CA 2.086 57.924 55.803 0.058 0.000 0.844 20 Q CB -0.396 28.353 28.738 0.018 0.000 0.898 20 Q HN 0.619 nan 8.270 nan 0.000 0.426 21 K N -0.977 119.521 120.400 0.163 0.000 2.097 21 K HA -0.079 4.241 4.320 -0.001 0.000 0.206 21 K C 1.703 178.391 176.600 0.146 0.000 1.049 21 K CA 1.225 57.624 56.287 0.186 0.000 0.933 21 K CB -0.254 32.430 32.500 0.306 0.000 0.717 21 K HN 0.242 nan 8.250 nan 0.000 0.442 22 A N 0.995 123.929 122.820 0.190 0.000 2.119 22 A HA -0.042 4.278 4.320 -0.001 0.000 0.217 22 A C 0.380 178.009 177.584 0.074 0.000 1.153 22 A CA 1.032 53.151 52.037 0.137 0.000 0.692 22 A CB -0.255 18.872 19.000 0.211 0.000 0.799 22 A HN 0.455 nan 8.150 nan 0.000 0.458 23 K N -0.853 119.595 120.400 0.080 0.000 3.016 23 K HA -0.162 4.158 4.320 -0.001 0.000 0.262 23 K C -0.113 176.502 176.600 0.025 0.000 1.043 23 K CA 0.843 57.156 56.287 0.043 0.000 0.761 23 K CB -1.993 30.523 32.500 0.027 0.000 1.230 23 K HN 0.487 nan 8.250 nan 0.000 0.485 24 S N -1.439 114.289 115.700 0.046 0.000 2.560 24 S HA 0.685 5.155 4.470 -0.001 0.000 0.283 24 S C -0.509 174.139 174.600 0.081 0.000 1.141 24 S CA 0.287 58.492 58.200 0.009 0.000 0.902 24 S CB 2.026 65.204 63.200 -0.037 0.000 1.104 24 S HN 0.933 nan 8.310 nan 0.000 0.454 25 G N 2.861 111.653 108.800 -0.012 0.000 2.331 25 G HA2 0.206 4.165 3.960 -0.001 0.000 0.402 25 G HA3 0.206 4.165 3.960 -0.001 0.000 0.402 25 G C -2.030 172.764 174.900 -0.176 0.000 1.275 25 G CA -0.801 44.356 45.100 0.095 0.000 1.003 25 G HN 0.955 nan 8.290 nan 0.000 0.500 26 H N 1.248 120.358 119.070 0.067 0.000 2.786 26 H HA 0.503 5.058 4.556 -0.001 0.000 0.284 26 H C -1.655 173.652 175.328 -0.035 0.000 1.104 26 H CA -1.275 54.750 56.048 -0.039 0.000 1.339 26 H CB 2.050 31.794 29.762 -0.029 0.000 1.427 26 H HN 0.333 nan 8.280 nan 0.000 0.497 27 P HA 0.004 nan 4.420 nan 0.000 0.230 27 P C 1.621 178.931 177.300 0.017 0.000 1.168 27 P CA 0.619 63.713 63.100 -0.009 0.000 0.793 27 P CB 0.510 32.190 31.700 -0.034 0.000 0.851 28 G N 1.293 110.126 108.800 0.056 0.000 2.453 28 G HA2 -0.248 3.712 3.960 -0.001 0.000 0.215 28 G HA3 -0.248 3.712 3.960 -0.001 0.000 0.215 28 G C 1.778 176.742 174.900 0.106 0.000 1.201 28 G CA 1.230 46.385 45.100 0.093 0.000 0.784 28 G HN 0.329 nan 8.290 nan 0.000 0.545 29 A N 1.528 124.427 122.820 0.133 0.000 1.873 29 A HA 0.104 4.424 4.320 -0.001 0.000 0.215 29 A C 0.799 178.397 177.584 0.024 0.000 1.186 29 A CA 1.980 54.075 52.037 0.097 0.000 0.616 29 A CB -1.145 17.912 19.000 0.095 0.000 0.823 29 A HN 0.384 nan 8.150 nan 0.000 0.442 30 P HA -0.158 nan 4.420 nan 0.000 0.215 30 P C 1.612 178.887 177.300 -0.042 0.000 1.153 30 P CA 1.427 64.493 63.100 -0.056 0.000 0.853 30 P CB -0.194 31.439 31.700 -0.111 0.000 0.788 31 M N -1.500 118.094 119.600 -0.010 0.000 2.175 31 M HA -0.020 4.460 4.480 -0.001 0.000 0.264 31 M C 2.249 178.606 176.300 0.095 0.000 1.063 31 M CA 1.993 57.310 55.300 0.028 0.000 1.119 31 M CB -1.190 31.437 32.600 0.044 0.000 1.377 31 M HN -0.017 nan 8.290 nan 0.000 0.415 32 G N -0.102 108.763 108.800 0.107 0.000 2.421 32 G HA2 -0.111 3.849 3.960 -0.001 0.000 0.217 32 G HA3 -0.111 3.849 3.960 -0.001 0.000 0.217 32 G C 1.440 176.363 174.900 0.039 0.000 1.143 32 G CA 0.404 45.599 45.100 0.159 0.000 0.784 32 G HN 0.376 nan 8.290 nan 0.000 0.541 33 M N 0.550 120.124 119.600 -0.043 0.000 2.371 33 M HA 0.311 4.791 4.480 -0.001 0.000 0.246 33 M C 2.613 178.851 176.300 -0.103 0.000 1.103 33 M CA 0.214 55.425 55.300 -0.149 0.000 1.010 33 M CB 0.636 33.118 32.600 -0.195 0.000 1.457 33 M HN 0.258 nan 8.290 nan 0.000 0.486 34 A N 1.357 124.140 122.820 -0.062 0.000 1.917 34 A HA -0.198 4.121 4.320 -0.001 0.000 0.219 34 A C 1.705 179.275 177.584 -0.023 0.000 1.182 34 A CA 1.944 53.953 52.037 -0.047 0.000 0.633 34 A CB -0.477 18.487 19.000 -0.061 0.000 0.819 34 A HN 0.418 nan 8.150 nan 0.000 0.448 35 D N -0.143 120.218 120.400 -0.066 0.000 2.149 35 D HA -0.076 4.564 4.640 -0.001 0.000 0.201 35 D C 1.911 178.187 176.300 -0.040 0.000 0.972 35 D CA 1.198 55.166 54.000 -0.054 0.000 0.835 35 D CB -0.304 40.442 40.800 -0.090 0.000 0.966 35 D HN 0.556 nan 8.370 nan 0.000 0.476 36 I N 1.680 122.193 120.570 -0.096 0.000 2.179 36 I HA -0.234 3.936 4.170 -0.001 0.000 0.242 36 I C 2.660 178.785 176.117 0.014 0.000 1.088 36 I CA 1.039 62.276 61.300 -0.105 0.000 1.357 36 I CB -0.290 37.517 38.000 -0.322 0.000 1.051 36 I HN -0.096 nan 8.210 nan 0.000 0.409 37 A N 0.241 123.120 122.820 0.097 0.000 1.908 37 A HA -0.258 4.061 4.320 -0.001 0.000 0.218 37 A C 2.372 180.062 177.584 0.177 0.000 1.181 37 A CA 1.821 53.962 52.037 0.172 0.000 0.627 37 A CB -0.595 18.422 19.000 0.028 0.000 0.818 37 A HN 0.444 nan 8.150 nan 0.000 0.445 38 E N 0.247 120.548 120.200 0.168 0.000 2.058 38 E HA -0.140 4.209 4.350 -0.001 0.000 0.194 38 E C 2.089 178.720 176.600 0.051 0.000 0.997 38 E CA 1.718 58.200 56.400 0.136 0.000 0.801 38 E CB -0.279 29.453 29.700 0.054 0.000 0.746 38 E HN 0.329 nan 8.360 nan 0.000 0.450 39 V N 1.571 121.534 119.914 0.080 0.000 2.307 39 V HA -0.250 3.870 4.120 -0.001 0.000 0.245 39 V C 2.667 178.899 176.094 0.229 0.000 1.045 39 V CA 1.631 64.008 62.300 0.129 0.000 1.024 39 V CB -0.647 31.277 31.823 0.167 0.000 0.651 39 V HN 0.254 nan 8.190 nan 0.000 0.449 40 L N -0.737 120.605 121.223 0.197 0.000 1.989 40 L HA -0.141 4.199 4.340 -0.001 0.000 0.211 40 L C 2.048 178.968 176.870 0.084 0.000 1.071 40 L CA 2.178 57.089 54.840 0.118 0.000 0.749 40 L CB -0.779 41.227 42.059 -0.089 0.000 0.890 40 L HN 0.391 nan 8.230 nan 0.000 0.431 41 W N 0.112 121.351 121.300 -0.102 0.000 2.409 41 W HA 0.003 4.663 4.660 -0.001 0.000 0.299 41 W C 2.816 179.344 176.519 0.016 0.000 1.203 41 W CA 1.180 58.475 57.345 -0.082 0.000 1.298 41 W CB -0.294 29.150 29.460 -0.027 0.000 1.127 41 W HN 0.038 nan 8.180 nan 0.000 0.528 42 R N -0.550 120.046 120.500 0.160 0.000 2.127 42 R HA -0.050 4.289 4.340 -0.001 0.000 0.217 42 R C 0.970 177.233 176.300 -0.062 0.000 1.074 42 R CA 1.369 57.467 56.100 -0.004 0.000 0.991 42 R CB -0.224 29.932 30.300 -0.241 0.000 0.895 42 R HN 0.075 nan 8.270 nan 0.000 0.450 43 D N -1.332 119.007 120.400 -0.103 0.000 2.380 43 D HA 0.069 4.708 4.640 -0.001 0.000 0.212 43 D C 0.818 176.760 176.300 -0.597 0.000 1.021 43 D CA 0.768 54.543 54.000 -0.374 0.000 0.884 43 D CB 0.393 40.884 40.800 -0.515 0.000 1.001 43 D HN 0.058 nan 8.370 nan 0.000 0.506 44 F N -0.378 119.543 119.950 -0.047 0.000 2.581 44 F HA 0.274 4.800 4.527 -0.001 0.000 0.278 44 F C 0.476 176.241 175.800 -0.058 0.000 1.000 44 F CA -0.581 57.381 58.000 -0.063 0.000 1.230 44 F CB 0.079 39.005 39.000 -0.123 0.000 1.008 44 F HN -0.215 nan 8.300 nan 0.000 0.695 45 L N 2.684 123.901 121.223 -0.009 0.000 2.513 45 L HA 0.048 4.387 4.340 -0.001 0.000 0.272 45 L C 0.460 177.397 176.870 0.111 0.000 1.187 45 L CA 0.260 55.024 54.840 -0.127 0.000 0.895 45 L CB 0.083 41.717 42.059 -0.708 0.000 1.147 45 L HN 0.019 nan 8.230 nan 0.000 0.483 46 K N 5.404 125.914 120.400 0.183 0.000 2.263 46 K HA 0.348 4.668 4.320 -0.001 0.000 0.282 46 K C -1.129 175.658 176.600 0.311 0.000 1.089 46 K CA -0.315 56.130 56.287 0.264 0.000 0.907 46 K CB 0.073 32.707 32.500 0.223 0.000 1.148 46 K HN 0.945 nan 8.250 nan 0.000 0.470 47 H N 0.105 119.307 119.070 0.219 0.000 3.042 47 H HA 0.357 4.913 4.556 -0.001 0.000 0.346 47 H C -1.610 173.875 175.328 0.262 0.000 1.294 47 H CA -1.293 54.908 56.048 0.256 0.000 1.141 47 H CB 1.108 30.922 29.762 0.087 0.000 1.872 47 H HN 0.294 nan 8.280 nan 0.000 0.541 48 N N 2.128 120.916 118.700 0.147 0.000 2.524 48 N HA 0.288 5.028 4.740 -0.001 0.000 0.261 48 N C -2.218 173.107 175.510 -0.308 0.000 0.998 48 N CA -2.800 50.149 53.050 -0.169 0.000 0.915 48 N CB 1.821 40.197 38.487 -0.185 0.000 1.187 48 N HN 0.411 nan 8.380 nan 0.000 0.507 49 P HA -0.128 nan 4.420 nan 0.000 0.218 49 P C 0.608 177.546 177.300 -0.604 0.000 1.146 49 P CA 1.359 63.768 63.100 -1.152 0.000 0.813 49 P CB 0.382 31.596 31.700 -0.809 0.000 0.778 50 Q N -2.066 117.534 119.800 -0.333 0.000 2.432 50 Q HA -0.005 4.335 4.340 -0.001 0.000 0.205 50 Q C 0.399 176.325 176.000 -0.123 0.000 0.945 50 Q CA 0.441 56.129 55.803 -0.191 0.000 0.924 50 Q CB -0.148 28.496 28.738 -0.158 0.000 1.016 50 Q HN 0.129 nan 8.270 nan 0.000 0.503 51 N N -0.174 118.460 118.700 -0.110 0.000 2.707 51 N HA 0.171 4.910 4.740 -0.001 0.000 0.249 51 N C -2.519 173.035 175.510 0.074 0.000 1.299 51 N CA -1.843 51.197 53.050 -0.016 0.000 0.769 51 N CB 1.259 39.731 38.487 -0.025 0.000 1.236 51 N HN -0.231 nan 8.380 nan 0.000 0.524 52 P HA 0.021 nan 4.420 nan 0.000 0.228 52 P C 0.277 177.655 177.300 0.129 0.000 1.151 52 P CA 0.910 64.144 63.100 0.224 0.000 0.770 52 P CB 0.406 32.282 31.700 0.292 0.000 0.786 53 S N -2.708 113.043 115.700 0.084 0.000 2.557 53 S HA 0.055 4.524 4.470 -0.001 0.000 0.223 53 S C 0.040 174.646 174.600 0.010 0.000 0.969 53 S CA -0.669 57.542 58.200 0.018 0.000 0.927 53 S CB -0.484 62.721 63.200 0.009 0.000 0.806 53 S HN 0.272 nan 8.310 nan 0.000 0.489 54 W N 3.215 124.413 121.300 -0.170 0.000 2.443 54 W HA 0.225 4.885 4.660 -0.001 0.000 0.335 54 W C 1.043 177.315 176.519 -0.411 0.000 1.382 54 W CA -0.755 56.428 57.345 -0.271 0.000 1.305 54 W CB -0.131 29.181 29.460 -0.246 0.000 1.283 54 W HN 0.188 nan 8.180 nan 0.000 0.567 55 A N 3.983 126.561 122.820 -0.404 0.000 1.978 55 A HA -0.240 4.080 4.320 -0.001 0.000 0.220 55 A C 1.568 178.623 177.584 -0.882 0.000 1.170 55 A CA 2.090 53.789 52.037 -0.563 0.000 0.636 55 A CB -0.434 18.387 19.000 -0.298 0.000 0.810 55 A HN 0.649 nan 8.150 nan 0.000 0.448 56 D N -0.973 118.491 120.400 -1.560 0.000 2.388 56 D HA 0.078 4.718 4.640 -0.001 0.000 0.221 56 D C 0.715 176.012 176.300 -1.672 0.000 1.133 56 D CA -0.371 52.803 54.000 -1.378 0.000 0.831 56 D CB -0.077 39.943 40.800 -1.300 0.000 0.962 56 D HN 0.585 nan 8.370 nan 0.000 0.502 57 R N 0.167 119.590 120.500 -1.795 0.000 2.734 57 R HA 0.150 4.489 4.340 -0.001 0.000 0.266 57 R C -0.357 175.508 176.300 -0.726 0.000 1.044 57 R CA -0.351 55.034 56.100 -1.192 0.000 1.128 57 R CB 0.401 30.349 30.300 -0.588 0.000 1.010 57 R HN -0.130 nan 8.270 nan 0.000 0.461 58 D N 1.341 121.566 120.400 -0.292 0.000 2.400 58 D HA 0.067 4.706 4.640 -0.001 0.000 0.238 58 D C -0.263 176.000 176.300 -0.060 0.000 1.157 58 D CA 0.265 54.249 54.000 -0.027 0.000 0.889 58 D CB 0.579 41.490 40.800 0.185 0.000 1.199 58 D HN 0.301 nan 8.370 nan 0.000 0.436 59 R N 0.641 121.171 120.500 0.050 0.000 2.393 59 R HA 0.436 4.776 4.340 -0.001 0.000 0.310 59 R C -0.845 175.566 176.300 0.184 0.000 0.968 59 R CA -0.692 55.449 56.100 0.068 0.000 0.867 59 R CB 0.736 31.080 30.300 0.074 0.000 1.124 59 R HN 0.315 nan 8.270 nan 0.000 0.450 60 F N 3.043 122.996 119.950 0.004 0.000 2.469 60 F HA 0.672 5.198 4.527 -0.001 0.000 0.332 60 F C -1.020 174.802 175.800 0.037 0.000 1.103 60 F CA -0.877 57.140 58.000 0.027 0.000 0.979 60 F CB 1.303 40.273 39.000 -0.049 0.000 1.137 60 F HN 0.186 nan 8.300 nan 0.000 0.463 61 V N 7.080 126.493 119.914 -0.835 0.000 2.577 61 V HA 0.307 4.427 4.120 -0.001 0.000 0.303 61 V C -1.010 174.569 176.094 -0.859 0.000 1.042 61 V CA -0.799 61.135 62.300 -0.610 0.000 0.872 61 V CB 1.655 33.347 31.823 -0.219 0.000 0.998 61 V HN 0.691 nan 8.190 nan 0.000 0.423 62 L N 4.112 125.009 121.223 -0.542 0.000 2.328 62 L HA 0.390 4.729 4.340 -0.001 0.000 0.280 62 L C 1.403 178.215 176.870 -0.096 0.000 1.111 62 L CA 0.868 55.546 54.840 -0.270 0.000 0.909 62 L CB 1.040 43.047 42.059 -0.087 0.000 1.277 62 L HN 0.736 nan 8.230 nan 0.000 0.433 63 S N 2.571 118.251 115.700 -0.034 0.000 2.406 63 S HA -0.062 4.408 4.470 -0.001 0.000 0.228 63 S C 1.009 175.636 174.600 0.045 0.000 1.020 63 S CA 0.928 59.139 58.200 0.020 0.000 0.965 63 S CB -0.276 62.956 63.200 0.055 0.000 0.798 63 S HN 0.873 nan 8.310 nan 0.000 0.488 64 N N 1.493 120.215 118.700 0.036 0.000 3.178 64 N HA 0.194 4.933 4.740 -0.001 0.000 0.300 64 N C 0.749 176.077 175.510 -0.304 0.000 1.242 64 N CA 0.277 53.291 53.050 -0.060 0.000 1.192 64 N CB -0.300 38.170 38.487 -0.029 0.000 1.463 64 N HN 0.252 nan 8.380 nan 0.000 0.539 65 G N 0.722 109.476 108.800 -0.076 0.000 2.509 65 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.218 65 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.218 65 G C 1.244 176.143 174.900 -0.001 0.000 1.124 65 G CA 0.507 45.599 45.100 -0.013 0.000 0.776 65 G HN 0.761 nan 8.290 nan 0.000 0.547 66 H N 0.259 119.368 119.070 0.065 0.000 2.426 66 H HA -0.055 4.501 4.556 -0.001 0.000 0.298 66 H C 2.078 177.230 175.328 -0.294 0.000 1.107 66 H CA 0.969 56.818 56.048 -0.332 0.000 1.298 66 H CB -0.870 28.525 29.762 -0.613 0.000 1.377 66 H HN 0.197 nan 8.280 nan 0.000 0.519 67 G N 1.466 109.987 108.800 -0.464 0.000 3.397 67 G HA2 0.046 4.005 3.960 -0.001 0.000 0.248 67 G HA3 0.046 4.005 3.960 -0.001 0.000 0.248 67 G C 1.343 176.118 174.900 -0.208 0.000 1.284 67 G CA 0.306 45.273 45.100 -0.222 0.000 1.570 67 G HN 0.597 nan 8.290 nan 0.000 0.587 68 S N 0.376 115.952 115.700 -0.207 0.000 2.387 68 S HA -0.201 4.268 4.470 -0.001 0.000 0.230 68 S C 2.239 176.507 174.600 -0.554 0.000 1.035 68 S CA 0.816 58.798 58.200 -0.364 0.000 1.014 68 S CB -0.221 62.866 63.200 -0.188 0.000 0.836 68 S HN 0.231 nan 8.310 nan 0.000 0.466 69 M N 0.884 120.273 119.600 -0.351 0.000 2.358 69 M HA 0.105 4.585 4.480 -0.001 0.000 0.264 69 M C 2.014 178.122 176.300 -0.320 0.000 1.064 69 M CA 0.704 55.779 55.300 -0.375 0.000 1.093 69 M CB -1.425 30.887 32.600 -0.480 0.000 1.401 69 M HN 0.446 nan 8.290 nan 0.000 0.440 70 L N 0.350 121.399 121.223 -0.290 0.000 1.989 70 L HA -0.154 4.185 4.340 -0.001 0.000 0.211 70 L C 2.197 178.845 176.870 -0.369 0.000 1.071 70 L CA 1.754 56.433 54.840 -0.268 0.000 0.749 70 L CB -0.773 41.202 42.059 -0.140 0.000 0.890 70 L HN 0.242 nan 8.230 nan 0.000 0.431 71 I N -1.876 118.470 120.570 -0.374 0.000 2.353 71 I HA -0.304 3.865 4.170 -0.001 0.000 0.248 71 I C 2.119 178.040 176.117 -0.326 0.000 1.119 71 I CA 0.964 62.027 61.300 -0.395 0.000 1.417 71 I CB -0.109 37.763 38.000 -0.213 0.000 1.078 71 I HN 0.282 nan 8.210 nan 0.000 0.421 72 Y N 0.784 120.962 120.300 -0.204 0.000 2.181 72 Y HA -0.202 4.347 4.550 -0.001 0.000 0.288 72 Y C 2.943 178.712 175.900 -0.218 0.000 1.146 72 Y CA 1.085 59.082 58.100 -0.173 0.000 1.164 72 Y CB -1.411 36.974 38.460 -0.124 0.000 0.982 72 Y HN 0.158 nan 8.280 nan 0.000 0.515 73 S N 0.214 115.818 115.700 -0.161 0.000 2.359 73 S HA -0.170 4.300 4.470 -0.001 0.000 0.224 73 S C 2.201 176.539 174.600 -0.436 0.000 1.035 73 S CA 1.360 59.392 58.200 -0.280 0.000 1.018 73 S CB -0.715 62.265 63.200 -0.367 0.000 0.876 73 S HN 0.344 nan 8.310 nan 0.000 0.448 74 L N 0.973 121.821 121.223 -0.625 0.000 2.017 74 L HA -0.116 4.223 4.340 -0.001 0.000 0.208 74 L C 2.283 178.825 176.870 -0.547 0.000 1.073 74 L CA 1.120 55.415 54.840 -0.909 0.000 0.745 74 L CB -0.600 40.471 42.059 -1.647 0.000 0.894 74 L HN 0.279 nan 8.230 nan 0.000 0.432 75 L N -1.259 119.734 121.223 -0.384 0.000 2.046 75 L HA -0.246 4.093 4.340 -0.001 0.000 0.208 75 L C 2.674 179.610 176.870 0.110 0.000 1.077 75 L CA 1.274 56.026 54.840 -0.146 0.000 0.747 75 L CB -0.738 41.202 42.059 -0.198 0.000 0.896 75 L HN 0.315 nan 8.230 nan 0.000 0.432 76 H N 0.424 119.478 119.070 -0.028 0.000 2.293 76 H HA -0.150 4.405 4.556 -0.001 0.000 0.300 76 H C 2.187 177.560 175.328 0.075 0.000 1.082 76 H CA 1.795 57.863 56.048 0.034 0.000 1.308 76 H CB -0.117 29.647 29.762 0.002 0.000 1.375 76 H HN 0.108 nan 8.280 nan 0.000 0.495 77 L N -0.052 121.080 121.223 -0.151 0.000 2.083 77 L HA -0.145 4.195 4.340 -0.001 0.000 0.209 77 L C 2.543 179.457 176.870 0.073 0.000 1.083 77 L CA 1.795 56.517 54.840 -0.198 0.000 0.752 77 L CB -0.625 40.930 42.059 -0.841 0.000 0.899 77 L HN 0.556 nan 8.230 nan 0.000 0.433 78 T N -3.662 110.992 114.554 0.167 0.000 3.118 78 T HA 0.175 4.525 4.350 -0.001 0.000 0.260 78 T C 1.346 176.204 174.700 0.263 0.000 1.139 78 T CA 0.555 62.894 62.100 0.398 0.000 1.085 78 T CB 0.351 69.646 68.868 0.712 0.000 0.934 78 T HN 0.507 nan 8.240 nan 0.000 0.518 79 G N -0.109 108.787 108.800 0.159 0.000 2.143 79 G HA2 -0.170 3.790 3.960 -0.001 0.000 0.175 79 G HA3 -0.170 3.790 3.960 -0.001 0.000 0.175 79 G C -0.165 174.741 174.900 0.010 0.000 1.004 79 G CA -0.414 44.696 45.100 0.017 0.000 0.671 79 G HN 0.541 nan 8.290 nan 0.000 0.512 80 Y N 0.629 120.955 120.300 0.043 0.000 2.385 80 Y HA 0.376 4.925 4.550 -0.001 0.000 0.346 80 Y C 1.136 177.048 175.900 0.020 0.000 1.270 80 Y CA 0.248 58.383 58.100 0.058 0.000 1.472 80 Y CB 0.445 38.972 38.460 0.112 0.000 1.354 80 Y HN 0.103 nan 8.280 nan 0.000 0.611 81 D N 1.997 122.502 120.400 0.175 0.000 2.597 81 D HA 0.141 4.781 4.640 -0.001 0.000 0.228 81 D C -1.412 174.939 176.300 0.084 0.000 1.120 81 D CA 0.244 54.296 54.000 0.087 0.000 1.083 81 D CB -0.833 39.998 40.800 0.052 0.000 1.116 81 D HN 0.312 nan 8.370 nan 0.000 0.487 82 L N 4.041 125.332 121.223 0.112 0.000 2.492 82 L HA 0.435 4.775 4.340 -0.001 0.000 0.259 82 L C -2.635 174.344 176.870 0.182 0.000 1.229 82 L CA -1.722 53.172 54.840 0.090 0.000 0.903 82 L CB 1.569 43.687 42.059 0.098 0.000 1.114 82 L HN 0.006 nan 8.230 nan 0.000 0.494 83 P HA 0.160 nan 4.420 nan 0.000 0.272 83 P C 0.923 178.234 177.300 0.019 0.000 1.240 83 P CA -0.370 62.809 63.100 0.132 0.000 0.791 83 P CB 0.659 32.383 31.700 0.040 0.000 0.978 84 M N 1.434 121.015 119.600 -0.030 0.000 2.144 84 M HA -0.212 4.268 4.480 -0.001 0.000 0.260 84 M C 1.732 177.927 176.300 -0.174 0.000 1.067 84 M CA 1.884 57.058 55.300 -0.210 0.000 1.095 84 M CB -1.094 31.461 32.600 -0.074 0.000 1.365 84 M HN 0.367 nan 8.290 nan 0.000 0.406 85 E N 0.065 120.193 120.200 -0.120 0.000 2.118 85 E HA -0.207 4.143 4.350 -0.001 0.000 0.195 85 E C 1.764 178.278 176.600 -0.144 0.000 0.992 85 E CA 1.659 57.974 56.400 -0.142 0.000 0.804 85 E CB -0.157 29.492 29.700 -0.086 0.000 0.741 85 E HN 0.541 nan 8.360 nan 0.000 0.458 86 E N 0.038 120.168 120.200 -0.118 0.000 2.106 86 E HA -0.135 4.215 4.350 -0.001 0.000 0.192 86 E C 2.229 178.755 176.600 -0.124 0.000 0.984 86 E CA 0.836 57.163 56.400 -0.122 0.000 0.806 86 E CB -0.215 29.402 29.700 -0.139 0.000 0.750 86 E HN 0.410 nan 8.360 nan 0.000 0.458 87 L N 0.573 121.718 121.223 -0.131 0.000 2.141 87 L HA -0.127 4.212 4.340 -0.001 0.000 0.209 87 L C 2.266 179.130 176.870 -0.010 0.000 1.094 87 L CA 1.097 55.909 54.840 -0.048 0.000 0.763 87 L CB -0.509 41.540 42.059 -0.017 0.000 0.908 87 L HN 0.048 nan 8.230 nan 0.000 0.437 88 K N 0.232 120.462 120.400 -0.284 0.000 2.362 88 K HA -0.073 4.247 4.320 -0.001 0.000 0.200 88 K C 0.801 177.306 176.600 -0.158 0.000 1.046 88 K CA 0.670 56.662 56.287 -0.491 0.000 0.952 88 K CB -0.043 32.040 32.500 -0.694 0.000 0.753 88 K HN 0.296 nan 8.250 nan 0.000 0.466 89 N N 0.403 119.060 118.700 -0.072 0.000 2.238 89 N HA 0.011 4.750 4.740 -0.001 0.000 0.222 89 N C -0.446 175.094 175.510 0.050 0.000 1.133 89 N CA -0.246 52.792 53.050 -0.020 0.000 0.854 89 N CB -0.000 38.460 38.487 -0.044 0.000 1.041 89 N HN 0.028 nan 8.380 nan 0.000 0.510 90 F N 2.489 122.404 119.950 -0.058 0.000 2.604 90 F HA -0.120 4.406 4.527 -0.001 0.000 0.393 90 F C 1.262 177.066 175.800 0.007 0.000 1.043 90 F CA 0.566 58.556 58.000 -0.017 0.000 1.227 90 F CB 0.222 39.254 39.000 0.053 0.000 1.016 90 F HN 0.201 nan 8.300 nan 0.000 0.556 91 R N 1.007 121.216 120.500 -0.485 0.000 3.989 91 R HA -0.201 4.138 4.340 -0.001 0.000 0.377 91 R C -0.566 175.612 176.300 -0.202 0.000 1.158 91 R CA 0.886 56.705 56.100 -0.469 0.000 1.035 91 R CB -1.307 28.590 30.300 -0.672 0.000 1.557 91 R HN 0.621 nan 8.270 nan 0.000 0.551 92 Q N 0.599 120.326 119.800 -0.121 0.000 2.226 92 Q HA 0.294 4.633 4.340 -0.001 0.000 0.256 92 Q C -0.082 175.872 176.000 -0.077 0.000 0.962 92 Q CA -1.137 54.617 55.803 -0.080 0.000 0.887 92 Q CB 1.101 29.810 28.738 -0.048 0.000 1.282 92 Q HN 0.080 nan 8.270 nan 0.000 0.449 93 L N 3.006 124.161 121.223 -0.114 0.000 2.601 93 L HA -0.096 4.244 4.340 -0.001 0.000 0.277 93 L C 0.273 177.063 176.870 -0.133 0.000 1.219 93 L CA 1.386 56.090 54.840 -0.227 0.000 0.915 93 L CB -0.785 41.073 42.059 -0.336 0.000 1.160 93 L HN 0.765 nan 8.230 nan 0.000 0.494 94 H N 0.541 119.633 119.070 0.038 0.000 3.211 94 H HA -0.189 4.366 4.556 -0.001 0.000 0.240 94 H C 0.802 176.211 175.328 0.136 0.000 1.148 94 H CA 0.564 56.660 56.048 0.080 0.000 1.160 94 H CB -1.470 28.320 29.762 0.048 0.000 1.232 94 H HN 0.799 nan 8.280 nan 0.000 0.321 95 S N 0.728 116.518 115.700 0.151 0.000 2.600 95 S HA 0.159 4.628 4.470 -0.001 0.000 0.265 95 S C 1.114 175.748 174.600 0.058 0.000 1.325 95 S CA -0.391 57.854 58.200 0.074 0.000 1.002 95 S CB 1.454 64.650 63.200 -0.008 0.000 0.921 95 S HN 0.396 nan 8.310 nan 0.000 0.554 96 K N 0.497 120.834 120.400 -0.106 0.000 2.476 96 K HA 0.074 4.393 4.320 -0.001 0.000 0.196 96 K C 0.253 176.665 176.600 -0.312 0.000 1.025 96 K CA 0.449 56.586 56.287 -0.249 0.000 1.138 96 K CB -0.190 32.072 32.500 -0.397 0.000 0.860 96 K HN 0.837 nan 8.250 nan 0.000 0.515 97 T N -0.250 114.128 114.554 -0.294 0.000 3.514 97 T HA 0.231 4.580 4.350 -0.001 0.000 0.259 97 T C -2.617 172.059 174.700 -0.040 0.000 1.466 97 T CA -1.985 59.790 62.100 -0.542 0.000 1.562 97 T CB 0.628 69.222 68.868 -0.457 0.000 0.924 97 T HN -0.128 nan 8.240 nan 0.000 0.678 98 P HA 0.192 nan 4.420 nan 0.000 0.272 98 P C 1.402 178.782 177.300 0.133 0.000 1.240 98 P CA -0.050 63.103 63.100 0.088 0.000 0.791 98 P CB 0.576 32.364 31.700 0.146 0.000 0.978 99 G N 0.311 109.067 108.800 -0.073 0.000 2.450 99 G HA2 -0.160 3.799 3.960 -0.001 0.000 0.220 99 G HA3 -0.160 3.799 3.960 -0.001 0.000 0.220 99 G C 0.087 174.866 174.900 -0.202 0.000 1.130 99 G CA 0.996 45.975 45.100 -0.201 0.000 0.760 99 G HN 0.627 nan 8.290 nan 0.000 0.557 100 H N -0.443 118.709 119.070 0.136 0.000 2.572 100 H HA 0.461 5.016 4.556 -0.001 0.000 0.359 100 H C -2.492 172.922 175.328 0.144 0.000 1.134 100 H CA -1.860 54.254 56.048 0.109 0.000 1.187 100 H CB 2.122 31.927 29.762 0.072 0.000 1.597 100 H HN -0.055 nan 8.280 nan 0.000 0.524 101 P HA 0.101 nan 4.420 nan 0.000 0.271 101 P C -0.833 176.581 177.300 0.191 0.000 1.216 101 P CA -0.179 63.033 63.100 0.187 0.000 0.776 101 P CB 0.854 32.571 31.700 0.028 0.000 0.881 102 E N 0.729 121.057 120.200 0.212 0.000 2.224 102 E HA 0.332 4.682 4.350 -0.001 0.000 0.265 102 E C -0.862 175.833 176.600 0.159 0.000 0.878 102 E CA -1.167 55.336 56.400 0.172 0.000 0.759 102 E CB 2.391 32.199 29.700 0.179 0.000 1.164 102 E HN 0.133 nan 8.360 nan 0.000 0.414 103 V N 2.830 122.820 119.914 0.128 0.000 2.740 103 V HA 0.409 4.529 4.120 -0.001 0.000 0.303 103 V C 0.943 177.114 176.094 0.129 0.000 1.054 103 V CA 2.055 64.424 62.300 0.117 0.000 1.106 103 V CB 0.583 32.461 31.823 0.091 0.000 0.957 103 V HN 1.008 nan 8.190 nan 0.000 0.486 104 G N 4.834 113.715 108.800 0.135 0.000 2.612 104 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.200 104 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.200 104 G C 0.369 175.403 174.900 0.224 0.000 1.053 104 G CA 0.476 45.666 45.100 0.149 0.000 0.707 104 G HN 1.157 nan 8.290 nan 0.000 0.497 105 Y N 2.184 122.525 120.300 0.068 0.000 2.721 105 Y HA 0.551 5.101 4.550 -0.001 0.000 0.251 105 Y C -0.387 175.552 175.900 0.065 0.000 1.136 105 Y CA 0.471 58.606 58.100 0.059 0.000 1.142 105 Y CB 1.291 39.780 38.460 0.048 0.000 1.212 105 Y HN 0.124 nan 8.280 nan 0.000 0.565 106 T N 1.446 116.012 114.554 0.020 0.000 2.949 106 T HA 0.533 4.883 4.350 -0.001 0.000 0.300 106 T C -0.341 174.390 174.700 0.052 0.000 0.988 106 T CA -0.471 61.612 62.100 -0.028 0.000 0.993 106 T CB 1.263 70.169 68.868 0.063 0.000 0.984 106 T HN 0.329 nan 8.240 nan 0.000 0.442 107 A N 1.882 124.735 122.820 0.055 0.000 2.545 107 A HA 0.513 4.832 4.320 -0.001 0.000 0.253 107 A C 1.605 179.275 177.584 0.143 0.000 1.074 107 A CA 0.791 52.920 52.037 0.154 0.000 0.760 107 A CB -0.862 18.272 19.000 0.223 0.000 1.005 107 A HN 1.822 nan 8.150 nan 0.000 0.506 108 G N 1.321 110.217 108.800 0.161 0.000 2.195 108 G HA2 -0.186 3.774 3.960 -0.001 0.000 0.246 108 G HA3 -0.186 3.774 3.960 -0.001 0.000 0.246 108 G C 0.265 175.194 174.900 0.048 0.000 0.984 108 G CA 0.060 45.187 45.100 0.045 0.000 0.633 108 G HN 1.410 nan 8.290 nan 0.000 0.525 109 V N 1.846 121.811 119.914 0.084 0.000 2.508 109 V HA 0.302 4.422 4.120 -0.001 0.000 0.281 109 V C 1.349 177.504 176.094 0.101 0.000 1.041 109 V CA 0.180 62.546 62.300 0.111 0.000 1.016 109 V CB 1.545 33.452 31.823 0.140 0.000 0.984 109 V HN 0.319 nan 8.190 nan 0.000 0.478 110 E N 2.045 122.302 120.200 0.095 0.000 2.318 110 E HA 0.092 4.442 4.350 -0.001 0.000 0.193 110 E C 0.788 177.424 176.600 0.059 0.000 0.998 110 E CA 0.469 56.910 56.400 0.068 0.000 0.859 110 E CB 0.779 30.515 29.700 0.060 0.000 0.812 110 E HN 0.719 nan 8.360 nan 0.000 0.492 111 T N -0.767 113.823 114.554 0.061 0.000 2.786 111 T HA 0.232 4.582 4.350 -0.001 0.000 0.316 111 T C -1.374 173.366 174.700 0.066 0.000 1.503 111 T CA -0.532 61.602 62.100 0.057 0.000 1.019 111 T CB 1.694 70.585 68.868 0.038 0.000 1.415 111 T HN -0.242 nan 8.240 nan 0.000 0.496 112 T N 3.117 117.713 114.554 0.071 0.000 2.744 112 T HA 0.618 4.967 4.350 -0.001 0.000 0.291 112 T C 0.388 175.128 174.700 0.067 0.000 0.957 112 T CA -0.432 61.718 62.100 0.083 0.000 1.002 112 T CB 0.793 69.714 68.868 0.089 0.000 0.919 112 T HN 0.845 nan 8.240 nan 0.000 0.468 113 T N -0.067 114.530 114.554 0.073 0.000 2.804 113 T HA 0.875 5.225 4.350 -0.001 0.000 0.272 113 T C 1.031 175.765 174.700 0.057 0.000 0.986 113 T CA 0.018 62.151 62.100 0.056 0.000 0.999 113 T CB 1.688 70.579 68.868 0.039 0.000 1.307 113 T HN 0.751 nan 8.240 nan 0.000 0.586 114 G N 0.314 109.128 108.800 0.024 0.000 3.031 114 G HA2 -0.037 3.923 3.960 -0.001 0.000 0.198 114 G HA3 -0.037 3.923 3.960 -0.001 0.000 0.198 114 G C -2.504 172.326 174.900 -0.117 0.000 1.242 114 G CA -0.432 44.554 45.100 -0.190 0.000 0.878 114 G HN 0.861 nan 8.290 nan 0.000 0.493 115 P HA 0.534 nan 4.420 nan 0.000 0.274 115 P C 0.425 177.752 177.300 0.044 0.000 1.291 115 P CA -0.239 62.869 63.100 0.014 0.000 0.815 115 P CB 0.513 32.246 31.700 0.054 0.000 0.897 116 L N 2.325 123.581 121.223 0.054 0.000 2.514 116 L HA 0.131 4.471 4.340 -0.001 0.000 0.280 116 L C 1.827 178.717 176.870 0.034 0.000 1.223 116 L CA 1.168 56.047 54.840 0.064 0.000 0.864 116 L CB -0.396 41.704 42.059 0.069 0.000 1.118 116 L HN 0.773 nan 8.230 nan 0.000 0.494 117 G N 1.069 109.878 108.800 0.016 0.000 2.299 117 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.237 117 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.237 117 G C 0.914 175.756 174.900 -0.096 0.000 1.027 117 G CA 0.457 45.534 45.100 -0.039 0.000 0.619 117 G HN 0.647 nan 8.290 nan 0.000 0.513 118 Q N 0.416 120.167 119.800 -0.081 0.000 2.230 118 Q HA 0.151 4.491 4.340 -0.001 0.000 0.202 118 Q C 2.804 178.775 176.000 -0.048 0.000 0.963 118 Q CA 1.164 56.904 55.803 -0.105 0.000 0.866 118 Q CB -0.264 28.447 28.738 -0.045 0.000 0.931 118 Q HN 0.610 nan 8.270 nan 0.000 0.452 119 G N 1.525 110.316 108.800 -0.015 0.000 2.459 119 G HA2 -0.291 3.668 3.960 -0.001 0.000 0.217 119 G HA3 -0.291 3.668 3.960 -0.001 0.000 0.217 119 G C 1.380 176.281 174.900 0.003 0.000 1.183 119 G CA 0.803 45.899 45.100 -0.007 0.000 0.776 119 G HN 0.315 nan 8.290 nan 0.000 0.552 120 I N 1.783 122.366 120.570 0.022 0.000 2.286 120 I HA -0.033 4.137 4.170 -0.001 0.000 0.248 120 I C 2.969 179.111 176.117 0.041 0.000 1.115 120 I CA 1.287 62.625 61.300 0.063 0.000 1.392 120 I CB -0.473 37.588 38.000 0.101 0.000 1.065 120 I HN 0.203 nan 8.210 nan 0.000 0.418 121 A N 0.387 123.195 122.820 -0.021 0.000 1.883 121 A HA -0.300 4.020 4.320 -0.001 0.000 0.217 121 A C 2.148 179.723 177.584 -0.016 0.000 1.186 121 A CA 2.454 54.462 52.037 -0.048 0.000 0.624 121 A CB -1.358 17.558 19.000 -0.139 0.000 0.822 121 A HN 0.664 nan 8.150 nan 0.000 0.444 122 N N 0.121 118.815 118.700 -0.010 0.000 2.104 122 N HA -0.103 4.636 4.740 -0.001 0.000 0.190 122 N C 1.984 177.508 175.510 0.024 0.000 1.024 122 N CA 1.094 54.150 53.050 0.011 0.000 0.853 122 N CB -0.296 38.199 38.487 0.015 0.000 1.008 122 N HN 0.518 nan 8.380 nan 0.000 0.424 123 A N 1.014 123.851 122.820 0.028 0.000 1.883 123 A HA -0.121 4.199 4.320 -0.001 0.000 0.217 123 A C 2.441 180.046 177.584 0.035 0.000 1.186 123 A CA 1.272 53.334 52.037 0.042 0.000 0.624 123 A CB -0.890 18.147 19.000 0.062 0.000 0.822 123 A HN 0.112 nan 8.150 nan 0.000 0.444 124 V N -0.016 119.922 119.914 0.040 0.000 2.332 124 V HA -0.220 3.899 4.120 -0.001 0.000 0.248 124 V C 2.807 178.885 176.094 -0.027 0.000 1.055 124 V CA 2.024 64.332 62.300 0.014 0.000 1.038 124 V CB -1.507 30.337 31.823 0.036 0.000 0.651 124 V HN 0.634 nan 8.190 nan 0.000 0.450 125 G N -0.672 108.121 108.800 -0.011 0.000 2.421 125 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.216 125 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.216 125 G C 1.620 176.491 174.900 -0.047 0.000 1.171 125 G CA 1.194 46.277 45.100 -0.027 0.000 0.775 125 G HN 0.451 nan 8.290 nan 0.000 0.543 126 M N 0.777 120.382 119.600 0.009 0.000 2.159 126 M HA 0.040 4.519 4.480 -0.001 0.000 0.263 126 M C 2.986 179.252 176.300 -0.057 0.000 1.063 126 M CA 1.342 56.674 55.300 0.053 0.000 1.110 126 M CB -0.146 32.549 32.600 0.158 0.000 1.374 126 M HN 0.310 nan 8.290 nan 0.000 0.411 127 A N 0.521 123.298 122.820 -0.072 0.000 1.898 127 A HA -0.088 4.232 4.320 -0.001 0.000 0.216 127 A C 2.083 179.552 177.584 -0.192 0.000 1.181 127 A CA 1.266 53.222 52.037 -0.135 0.000 0.620 127 A CB -0.805 18.117 19.000 -0.131 0.000 0.819 127 A HN 0.432 nan 8.150 nan 0.000 0.442 128 I N -0.133 120.326 120.570 -0.186 0.000 2.208 128 I HA -0.309 3.860 4.170 -0.001 0.000 0.245 128 I C 2.974 178.917 176.117 -0.290 0.000 1.097 128 I CA 1.064 62.227 61.300 -0.228 0.000 1.363 128 I CB -0.312 37.550 38.000 -0.230 0.000 1.051 128 I HN 0.373 nan 8.210 nan 0.000 0.413 129 A N 0.185 122.807 122.820 -0.331 0.000 1.877 129 A HA -0.258 4.061 4.320 -0.001 0.000 0.216 129 A C 2.368 179.798 177.584 -0.256 0.000 1.186 129 A CA 1.803 53.623 52.037 -0.363 0.000 0.620 129 A CB -0.619 18.129 19.000 -0.420 0.000 0.822 129 A HN 0.423 nan 8.150 nan 0.000 0.443 130 E N 0.257 120.206 120.200 -0.419 0.000 2.085 130 E HA -0.247 4.103 4.350 -0.001 0.000 0.194 130 E C 2.069 178.561 176.600 -0.179 0.000 0.994 130 E CA 1.741 57.959 56.400 -0.302 0.000 0.801 130 E CB -0.250 29.178 29.700 -0.453 0.000 0.743 130 E HN 0.656 nan 8.360 nan 0.000 0.453 131 K N -0.380 119.909 120.400 -0.185 0.000 2.057 131 K HA -0.102 4.217 4.320 -0.001 0.000 0.207 131 K C 2.075 178.646 176.600 -0.049 0.000 1.049 131 K CA 1.809 58.013 56.287 -0.138 0.000 0.931 131 K CB -0.058 32.345 32.500 -0.161 0.000 0.714 131 K HN 0.057 nan 8.250 nan 0.000 0.440 132 T N 1.649 116.189 114.554 -0.024 0.000 2.812 132 T HA -0.112 4.237 4.350 -0.001 0.000 0.264 132 T C 1.698 176.578 174.700 0.299 0.000 1.042 132 T CA 0.919 63.066 62.100 0.078 0.000 1.140 132 T CB -0.142 68.686 68.868 -0.066 0.000 0.870 132 T HN 0.099 nan 8.240 nan 0.000 0.445 133 L N 1.297 122.777 121.223 0.430 0.000 2.046 133 L HA 0.084 4.424 4.340 -0.001 0.000 0.208 133 L C 2.639 179.741 176.870 0.387 0.000 1.077 133 L CA 1.580 56.709 54.840 0.481 0.000 0.747 133 L CB -0.936 41.353 42.059 0.384 0.000 0.896 133 L HN 0.237 nan 8.230 nan 0.000 0.432 134 A N -0.746 122.192 122.820 0.197 0.000 1.877 134 A HA -0.152 4.167 4.320 -0.001 0.000 0.216 134 A C 2.448 180.094 177.584 0.103 0.000 1.186 134 A CA 1.836 53.942 52.037 0.115 0.000 0.620 134 A CB -1.155 17.845 19.000 -0.000 0.000 0.822 134 A HN 0.499 nan 8.150 nan 0.000 0.443 135 A N -0.852 122.014 122.820 0.077 0.000 1.933 135 A HA -0.221 4.098 4.320 -0.001 0.000 0.218 135 A C 2.135 179.743 177.584 0.040 0.000 1.175 135 A CA 1.734 53.797 52.037 0.042 0.000 0.628 135 A CB -0.534 18.480 19.000 0.022 0.000 0.814 135 A HN 0.677 nan 8.150 nan 0.000 0.444 136 Q N -2.177 117.673 119.800 0.083 0.000 2.083 136 Q HA -0.037 4.302 4.340 -0.001 0.000 0.198 136 Q C 1.494 177.360 176.000 -0.222 0.000 0.969 136 Q CA 1.453 57.217 55.803 -0.065 0.000 0.838 136 Q CB -0.103 28.602 28.738 -0.056 0.000 0.900 136 Q HN 0.757 nan 8.270 nan 0.000 0.436 137 F N 0.003 120.003 119.950 0.083 0.000 2.602 137 F HA 0.123 4.650 4.527 -0.001 0.000 0.284 137 F C 0.605 176.385 175.800 -0.034 0.000 1.111 137 F CA -0.500 57.542 58.000 0.071 0.000 1.405 137 F CB 0.245 39.310 39.000 0.108 0.000 1.121 137 F HN -0.109 nan 8.300 nan 0.000 0.603 138 N N 1.899 120.660 118.700 0.101 0.000 2.441 138 N HA 0.125 4.864 4.740 -0.001 0.000 0.251 138 N C -0.089 175.423 175.510 0.003 0.000 1.242 138 N CA 0.389 53.449 53.050 0.016 0.000 0.898 138 N CB 0.400 38.897 38.487 0.017 0.000 1.100 138 N HN -0.019 nan 8.380 nan 0.000 0.443 139 R N 0.924 121.440 120.500 0.025 0.000 2.836 139 R HA 0.475 4.814 4.340 -0.001 0.000 0.269 139 R C -2.662 173.715 176.300 0.128 0.000 1.010 139 R CA -1.901 54.192 56.100 -0.011 0.000 0.930 139 R CB 0.571 30.653 30.300 -0.363 0.000 1.218 139 R HN 0.316 nan 8.270 nan 0.000 0.473 140 P HA 0.031 nan 4.420 nan 0.000 0.260 140 P C 0.636 178.025 177.300 0.148 0.000 1.185 140 P CA 1.199 64.374 63.100 0.125 0.000 0.763 140 P CB 0.203 31.974 31.700 0.119 0.000 0.776 141 G N 2.496 111.311 108.800 0.024 0.000 2.179 141 G HA2 -0.217 3.743 3.960 -0.001 0.000 0.260 141 G HA3 -0.217 3.743 3.960 -0.001 0.000 0.260 141 G C 0.129 174.809 174.900 -0.367 0.000 0.977 141 G CA -0.291 44.718 45.100 -0.152 0.000 0.641 141 G HN 0.724 nan 8.290 nan 0.000 0.533 142 H N 0.479 119.597 119.070 0.080 0.000 2.538 142 H HA 0.278 4.834 4.556 -0.001 0.000 0.239 142 H C -1.226 174.086 175.328 -0.026 0.000 1.401 142 H CA -0.672 55.420 56.048 0.074 0.000 1.499 142 H CB 0.795 30.718 29.762 0.268 0.000 1.624 142 H HN 0.130 nan 8.280 nan 0.000 0.524 143 D N 2.876 123.301 120.400 0.042 0.000 2.631 143 D HA 0.087 4.727 4.640 -0.001 0.000 0.227 143 D C 1.833 178.147 176.300 0.023 0.000 1.146 143 D CA -0.232 53.780 54.000 0.020 0.000 1.009 143 D CB 0.164 40.984 40.800 0.033 0.000 1.057 143 D HN 0.612 nan 8.370 nan 0.000 0.509 144 I N -2.130 118.381 120.570 -0.097 0.000 2.830 144 I HA -0.001 4.169 4.170 -0.001 0.000 0.263 144 I C 0.244 176.496 176.117 0.225 0.000 1.230 144 I CA 0.383 61.655 61.300 -0.047 0.000 1.480 144 I CB 0.142 37.839 38.000 -0.506 0.000 1.095 144 I HN -0.186 nan 8.210 nan 0.000 0.455 145 V N 2.648 122.618 119.914 0.095 0.000 2.357 145 V HA 0.475 4.594 4.120 -0.001 0.000 0.284 145 V C -1.085 175.033 176.094 0.040 0.000 1.018 145 V CA -0.272 62.111 62.300 0.138 0.000 0.841 145 V CB 1.126 33.035 31.823 0.143 0.000 0.991 145 V HN 0.299 nan 8.190 nan 0.000 0.437 146 D N 4.062 124.479 120.400 0.030 0.000 2.491 146 D HA 0.229 4.869 4.640 -0.001 0.000 0.232 146 D C -0.872 175.410 176.300 -0.030 0.000 1.334 146 D CA -0.262 53.705 54.000 -0.055 0.000 0.909 146 D CB 0.490 41.315 40.800 0.042 0.000 1.513 146 D HN 0.818 nan 8.370 nan 0.000 0.514 147 H N 0.217 119.212 119.070 -0.125 0.000 3.016 147 H HA 0.409 4.965 4.556 -0.001 0.000 0.362 147 H C -1.201 174.003 175.328 -0.207 0.000 1.233 147 H CA -0.702 55.278 56.048 -0.112 0.000 1.124 147 H CB 0.562 30.231 29.762 -0.155 0.000 1.850 147 H HN 0.029 nan 8.280 nan 0.000 0.549 148 Y N 0.390 120.683 120.300 -0.011 0.000 2.374 148 Y HA 0.356 4.905 4.550 -0.001 0.000 0.322 148 Y C 0.624 176.399 175.900 -0.209 0.000 1.275 148 Y CA -0.005 57.953 58.100 -0.237 0.000 1.307 148 Y CB 1.789 39.930 38.460 -0.532 0.000 1.282 148 Y HN 0.573 nan 8.280 nan 0.000 0.509 149 T N 2.106 116.573 114.554 -0.146 0.000 2.815 149 T HA 0.392 4.742 4.350 -0.001 0.000 0.289 149 T C -1.536 173.096 174.700 -0.114 0.000 1.000 149 T CA -0.671 61.394 62.100 -0.059 0.000 0.958 149 T CB -0.105 68.759 68.868 -0.006 0.000 0.944 149 T HN 0.236 nan 8.240 nan 0.000 0.442 150 Y N 1.541 121.966 120.300 0.209 0.000 2.377 150 Y HA 0.686 5.235 4.550 -0.001 0.000 0.339 150 Y C 0.285 176.277 175.900 0.154 0.000 1.011 150 Y CA -1.014 57.264 58.100 0.297 0.000 1.093 150 Y CB 1.612 40.313 38.460 0.401 0.000 1.201 150 Y HN 0.783 nan 8.280 nan 0.000 0.455 151 A N 3.354 126.428 122.820 0.423 0.000 2.414 151 A HA 0.812 5.131 4.320 -0.001 0.000 0.306 151 A C -1.807 176.105 177.584 0.546 0.000 1.054 151 A CA -0.575 51.586 52.037 0.206 0.000 0.724 151 A CB 0.851 19.961 19.000 0.182 0.000 1.267 151 A HN 0.473 nan 8.150 nan 0.000 0.418 152 F N 2.045 122.021 119.950 0.043 0.000 2.421 152 F HA 0.737 5.263 4.527 -0.001 0.000 0.337 152 F C 0.517 176.376 175.800 0.099 0.000 1.105 152 F CA -1.111 56.972 58.000 0.138 0.000 1.049 152 F CB 1.693 40.745 39.000 0.085 0.000 1.139 152 F HN 0.713 nan 8.300 nan 0.000 0.479 153 M N 1.509 121.299 119.600 0.316 0.000 2.578 153 M HA 0.870 5.350 4.480 -0.001 0.000 0.276 153 M C -0.846 175.627 176.300 0.288 0.000 1.245 153 M CA -0.670 54.772 55.300 0.236 0.000 0.871 153 M CB 2.187 34.898 32.600 0.186 0.000 1.722 153 M HN 0.545 nan 8.290 nan 0.000 0.473 154 G N 0.114 109.083 108.800 0.281 0.000 3.209 154 G HA2 0.421 4.380 3.960 -0.001 0.000 0.236 154 G HA3 0.421 4.380 3.960 -0.001 0.000 0.236 154 G C -0.300 174.840 174.900 0.401 0.000 1.329 154 G CA -0.380 44.936 45.100 0.361 0.000 1.015 154 G HN 0.819 nan 8.290 nan 0.000 0.571 155 D N -0.090 120.559 120.400 0.414 0.000 2.144 155 D HA -0.109 4.531 4.640 -0.001 0.000 0.199 155 D C 2.443 178.751 176.300 0.014 0.000 0.984 155 D CA 1.565 55.755 54.000 0.316 0.000 0.834 155 D CB -0.324 40.683 40.800 0.346 0.000 0.955 155 D HN 0.411 nan 8.370 nan 0.000 0.465 156 G N 0.804 109.647 108.800 0.072 0.000 2.421 156 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.216 156 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.216 156 G C 1.965 176.861 174.900 -0.007 0.000 1.171 156 G CA 0.966 46.070 45.100 0.007 0.000 0.775 156 G HN 0.309 nan 8.290 nan 0.000 0.543 157 C N 0.642 119.975 119.300 0.055 0.000 2.429 157 C HA 0.005 4.465 4.460 -0.001 0.000 0.277 157 C C 2.994 177.983 174.990 -0.001 0.000 1.262 157 C CA 0.869 59.910 59.018 0.038 0.000 1.733 157 C CB -0.670 27.116 27.740 0.077 0.000 2.010 157 C HN 0.378 nan 8.230 nan 0.000 0.483 158 M N -0.129 119.452 119.600 -0.033 0.000 2.159 158 M HA -0.113 4.366 4.480 -0.001 0.000 0.263 158 M C 2.099 178.334 176.300 -0.109 0.000 1.063 158 M CA 1.660 56.934 55.300 -0.044 0.000 1.110 158 M CB -0.983 31.589 32.600 -0.047 0.000 1.374 158 M HN 0.448 nan 8.290 nan 0.000 0.411 159 M N -0.507 118.904 119.600 -0.315 0.000 2.254 159 M HA -0.074 4.406 4.480 -0.001 0.000 0.265 159 M C 0.453 176.690 176.300 -0.104 0.000 1.066 159 M CA 0.669 55.771 55.300 -0.330 0.000 1.123 159 M CB -0.128 32.206 32.600 -0.444 0.000 1.388 159 M HN 0.041 nan 8.290 nan 0.000 0.425 160 E N 0.597 120.761 120.200 -0.060 0.000 2.414 160 E HA -0.020 4.329 4.350 -0.001 0.000 0.263 160 E C 1.091 177.710 176.600 0.032 0.000 1.000 160 E CA 0.241 56.641 56.400 0.000 0.000 0.914 160 E CB 0.764 30.471 29.700 0.012 0.000 0.948 160 E HN 0.340 nan 8.360 nan 0.000 0.444 161 G N 3.893 112.732 108.800 0.064 0.000 2.469 161 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.220 161 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.220 161 G C 1.447 176.402 174.900 0.093 0.000 1.136 161 G CA 0.349 45.509 45.100 0.099 0.000 0.759 161 G HN 0.628 nan 8.290 nan 0.000 0.562 162 I N 1.635 122.218 120.570 0.022 0.000 2.335 162 I HA -0.239 3.931 4.170 -0.001 0.000 0.251 162 I C 3.074 179.122 176.117 -0.116 0.000 1.129 162 I CA 1.722 62.936 61.300 -0.145 0.000 1.402 162 I CB -0.079 37.591 38.000 -0.549 0.000 1.069 162 I HN 0.360 nan 8.210 nan 0.000 0.424 163 S N -0.387 115.285 115.700 -0.047 0.000 2.383 163 S HA -0.348 4.122 4.470 -0.001 0.000 0.229 163 S C 2.040 176.593 174.600 -0.077 0.000 1.030 163 S CA 1.651 59.838 58.200 -0.022 0.000 1.002 163 S CB -0.829 62.405 63.200 0.056 0.000 0.829 163 S HN 0.707 nan 8.310 nan 0.000 0.467 164 H N 1.846 120.852 119.070 -0.106 0.000 2.321 164 H HA 0.002 4.558 4.556 -0.001 0.000 0.300 164 H C 2.025 177.178 175.328 -0.293 0.000 1.087 164 H CA 2.226 58.171 56.048 -0.171 0.000 1.319 164 H CB -0.501 29.253 29.762 -0.014 0.000 1.379 164 H HN 0.601 nan 8.280 nan 0.000 0.501 165 E N -0.347 119.665 120.200 -0.313 0.000 2.031 165 E HA -0.157 4.192 4.350 -0.001 0.000 0.193 165 E C 2.429 178.840 176.600 -0.315 0.000 0.994 165 E CA 1.917 58.120 56.400 -0.329 0.000 0.800 165 E CB -0.079 29.548 29.700 -0.122 0.000 0.752 165 E HN 0.545 nan 8.360 nan 0.000 0.447 166 V N -1.263 118.513 119.914 -0.229 0.000 2.649 166 V HA -0.103 4.017 4.120 -0.001 0.000 0.248 166 V C 2.184 178.208 176.094 -0.118 0.000 1.054 166 V CA 1.036 63.256 62.300 -0.135 0.000 1.073 166 V CB -0.554 31.226 31.823 -0.071 0.000 0.699 166 V HN 0.276 nan 8.190 nan 0.000 0.463 167 C N 0.547 119.699 119.300 -0.248 0.000 2.467 167 C HA -0.009 4.451 4.460 -0.001 0.000 0.279 167 C C 3.254 177.986 174.990 -0.430 0.000 1.347 167 C CA 1.341 60.242 59.018 -0.195 0.000 1.748 167 C CB -0.732 26.662 27.740 -0.576 0.000 1.977 167 C HN 0.742 nan 8.230 nan 0.000 0.501 168 S N 0.909 116.019 115.700 -0.984 0.000 2.353 168 S HA -0.174 4.296 4.470 -0.001 0.000 0.222 168 S C 1.820 176.257 174.600 -0.272 0.000 1.035 168 S CA 1.637 59.359 58.200 -0.797 0.000 1.025 168 S CB -0.390 62.307 63.200 -0.839 0.000 0.902 168 S HN 0.465 nan 8.310 nan 0.000 0.440 169 L N 1.906 122.993 121.223 -0.226 0.000 2.083 169 L HA 0.164 4.504 4.340 -0.001 0.000 0.209 169 L C 2.549 179.373 176.870 -0.077 0.000 1.083 169 L CA 2.015 56.782 54.840 -0.121 0.000 0.752 169 L CB -1.311 40.691 42.059 -0.095 0.000 0.899 169 L HN 0.365 nan 8.230 nan 0.000 0.433 170 A N -0.634 122.169 122.820 -0.028 0.000 1.940 170 A HA -0.106 4.214 4.320 -0.001 0.000 0.219 170 A C 2.329 179.849 177.584 -0.107 0.000 1.176 170 A CA 1.603 53.613 52.037 -0.045 0.000 0.631 170 A CB -1.495 17.540 19.000 0.060 0.000 0.814 170 A HN 0.528 nan 8.150 nan 0.000 0.446 171 G N -1.133 107.692 108.800 0.041 0.000 2.404 171 G HA2 -0.138 3.821 3.960 -0.001 0.000 0.215 171 G HA3 -0.138 3.821 3.960 -0.001 0.000 0.215 171 G C 1.576 176.465 174.900 -0.018 0.000 1.174 171 G CA 1.581 46.703 45.100 0.037 0.000 0.780 171 G HN 0.418 nan 8.290 nan 0.000 0.537 172 T N 1.489 116.031 114.554 -0.021 0.000 2.720 172 T HA -0.070 4.280 4.350 -0.001 0.000 0.268 172 T C 2.186 176.847 174.700 -0.065 0.000 1.037 172 T CA 0.906 62.984 62.100 -0.038 0.000 1.144 172 T CB -0.202 68.637 68.868 -0.048 0.000 0.864 172 T HN 0.141 nan 8.240 nan 0.000 0.444 173 L N 0.240 121.407 121.223 -0.093 0.000 2.599 173 L HA 0.189 4.529 4.340 -0.001 0.000 0.230 173 L C 0.485 177.278 176.870 -0.129 0.000 1.141 173 L CA 0.147 54.919 54.840 -0.113 0.000 0.877 173 L CB -0.412 41.565 42.059 -0.137 0.000 1.009 173 L HN 0.236 nan 8.230 nan 0.000 0.447 174 K N 1.156 121.475 120.400 -0.134 0.000 3.257 174 K HA -0.174 4.145 4.320 -0.001 0.000 0.270 174 K C -0.278 176.210 176.600 -0.186 0.000 0.984 174 K CA 0.287 56.486 56.287 -0.147 0.000 0.739 174 K CB -1.608 30.831 32.500 -0.101 0.000 1.351 174 K HN 0.338 nan 8.250 nan 0.000 0.463 175 L N 0.788 121.862 121.223 -0.247 0.000 2.384 175 L HA 0.050 4.389 4.340 -0.001 0.000 0.258 175 L C 1.901 178.603 176.870 -0.279 0.000 1.266 175 L CA 0.152 54.837 54.840 -0.259 0.000 1.162 175 L CB 0.107 42.006 42.059 -0.268 0.000 1.375 175 L HN 0.507 nan 8.230 nan 0.000 0.420 176 G N 1.423 110.088 108.800 -0.226 0.000 2.498 176 G HA2 -0.178 3.781 3.960 -0.001 0.000 0.219 176 G HA3 -0.178 3.781 3.960 -0.001 0.000 0.219 176 G C 1.395 176.182 174.900 -0.189 0.000 1.119 176 G CA 0.278 45.263 45.100 -0.191 0.000 0.766 176 G HN 0.507 nan 8.290 nan 0.000 0.552 177 K N -0.775 119.460 120.400 -0.274 0.000 2.372 177 K HA 0.251 4.571 4.320 -0.001 0.000 0.200 177 K C -0.255 176.229 176.600 -0.194 0.000 1.022 177 K CA -0.556 55.501 56.287 -0.383 0.000 1.125 177 K CB 0.526 32.602 32.500 -0.705 0.000 0.855 177 K HN 0.201 nan 8.250 nan 0.000 0.524 178 L N 1.834 122.945 121.223 -0.186 0.000 2.276 178 L HA 0.370 4.710 4.340 -0.001 0.000 0.286 178 L C -0.840 175.973 176.870 -0.096 0.000 1.061 178 L CA -0.141 54.612 54.840 -0.145 0.000 0.807 178 L CB 0.478 42.412 42.059 -0.208 0.000 1.177 178 L HN 0.003 nan 8.230 nan 0.000 0.429 179 I N 5.577 126.151 120.570 0.006 0.000 2.468 179 I HA 0.574 4.743 4.170 -0.001 0.000 0.285 179 I C -0.403 175.841 176.117 0.212 0.000 1.039 179 I CA -0.520 60.821 61.300 0.067 0.000 1.074 179 I CB 1.761 39.797 38.000 0.060 0.000 1.228 179 I HN 0.761 nan 8.210 nan 0.000 0.436 180 A N 6.348 129.305 122.820 0.229 0.000 2.324 180 A HA 0.852 5.172 4.320 -0.001 0.000 0.330 180 A C -1.185 176.480 177.584 0.135 0.000 1.165 180 A CA -0.286 51.953 52.037 0.338 0.000 0.813 180 A CB 0.572 19.823 19.000 0.419 0.000 1.197 180 A HN 0.501 nan 8.150 nan 0.000 0.484 181 F N 1.719 121.848 119.950 0.298 0.000 2.402 181 F HA 0.366 4.893 4.527 -0.001 0.000 0.355 181 F C -0.335 175.532 175.800 0.112 0.000 1.123 181 F CA -0.471 57.621 58.000 0.154 0.000 1.021 181 F CB 1.274 40.303 39.000 0.048 0.000 1.160 181 F HN 0.579 nan 8.300 nan 0.000 0.451 182 Y N 3.383 123.715 120.300 0.054 0.000 2.350 182 Y HA 0.290 4.840 4.550 -0.001 0.000 0.340 182 Y C -0.182 175.704 175.900 -0.023 0.000 1.006 182 Y CA -1.847 56.245 58.100 -0.013 0.000 1.166 182 Y CB 0.603 38.997 38.460 -0.111 0.000 1.168 182 Y HN 0.536 nan 8.280 nan 0.000 0.502 183 D N 4.817 125.170 120.400 -0.079 0.000 2.470 183 D HA 0.027 4.667 4.640 -0.001 0.000 0.226 183 D C -0.933 175.067 176.300 -0.499 0.000 1.196 183 D CA 0.104 53.959 54.000 -0.241 0.000 0.979 183 D CB -0.220 40.529 40.800 -0.084 0.000 1.059 183 D HN 0.488 nan 8.370 nan 0.000 0.515 184 D N 2.541 122.511 120.400 -0.718 0.000 2.517 184 D HA 0.017 4.656 4.640 -0.001 0.000 0.220 184 D C 0.487 176.610 176.300 -0.295 0.000 1.158 184 D CA -0.302 53.227 54.000 -0.784 0.000 0.992 184 D CB -0.194 40.154 40.800 -0.753 0.000 1.058 184 D HN 0.367 nan 8.370 nan 0.000 0.516 185 N N 1.627 120.239 118.700 -0.147 0.000 2.184 185 N HA 0.118 4.858 4.740 -0.001 0.000 0.206 185 N C 1.395 176.926 175.510 0.036 0.000 1.151 185 N CA 0.278 53.315 53.050 -0.022 0.000 0.878 185 N CB 0.351 38.855 38.487 0.029 0.000 1.014 185 N HN 0.267 nan 8.380 nan 0.000 0.512 186 G N 0.057 108.884 108.800 0.044 0.000 2.168 186 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.263 186 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.263 186 G C -0.429 174.525 174.900 0.089 0.000 0.977 186 G CA 0.610 45.755 45.100 0.074 0.000 0.659 186 G HN 0.335 nan 8.290 nan 0.000 0.533 187 I N 1.190 121.819 120.570 0.098 0.000 2.465 187 I HA 0.636 4.806 4.170 -0.001 0.000 0.291 187 I C 0.585 176.795 176.117 0.155 0.000 1.014 187 I CA -0.233 61.120 61.300 0.088 0.000 1.093 187 I CB 1.658 39.693 38.000 0.059 0.000 1.267 187 I HN 0.385 nan 8.210 nan 0.000 0.431 188 S N 5.409 121.234 115.700 0.209 0.000 2.900 188 S HA 0.614 5.084 4.470 -0.001 0.000 0.320 188 S C 1.004 175.618 174.600 0.024 0.000 1.130 188 S CA -0.707 57.572 58.200 0.131 0.000 0.863 188 S CB 1.417 64.776 63.200 0.266 0.000 1.295 188 S HN 0.429 nan 8.310 nan 0.000 0.596 189 I N 1.115 121.588 120.570 -0.161 0.000 2.315 189 I HA -0.117 4.053 4.170 -0.001 0.000 0.248 189 I C 1.340 177.356 176.117 -0.169 0.000 1.117 189 I CA 1.378 62.553 61.300 -0.208 0.000 1.404 189 I CB -0.372 37.471 38.000 -0.261 0.000 1.071 189 I HN 0.589 nan 8.210 nan 0.000 0.419 190 D N 0.552 120.815 120.400 -0.228 0.000 2.348 190 D HA 0.108 4.748 4.640 -0.001 0.000 0.216 190 D C 0.997 177.297 176.300 0.000 0.000 0.970 190 D CA 1.091 54.891 54.000 -0.333 0.000 0.889 190 D CB 0.239 40.465 40.800 -0.957 0.000 0.912 190 D HN 0.508 nan 8.370 nan 0.000 0.524 191 G N -0.970 107.974 108.800 0.239 0.000 2.225 191 G HA2 -0.140 3.819 3.960 -0.001 0.000 0.203 191 G HA3 -0.140 3.819 3.960 -0.001 0.000 0.203 191 G C -0.994 174.052 174.900 0.243 0.000 1.335 191 G CA -0.918 44.318 45.100 0.226 0.000 1.183 191 G HN 0.117 nan 8.290 nan 0.000 0.488 192 H N 1.702 120.859 119.070 0.144 0.000 2.975 192 H HA 0.205 4.761 4.556 -0.001 0.000 0.303 192 H C 2.105 177.150 175.328 -0.473 0.000 1.023 192 H CA 0.839 56.848 56.048 -0.064 0.000 1.473 192 H CB 1.466 31.187 29.762 -0.069 0.000 1.498 192 H HN 0.831 nan 8.280 nan 0.000 0.549 193 V N 1.899 121.626 119.914 -0.312 0.000 2.867 193 V HA -0.221 3.899 4.120 -0.001 0.000 0.260 193 V C 1.846 177.379 176.094 -0.934 0.000 1.099 193 V CA 1.742 63.599 62.300 -0.738 0.000 1.122 193 V CB -0.605 31.190 31.823 -0.047 0.000 0.708 193 V HN 0.803 nan 8.190 nan 0.000 0.490 194 E N 2.000 121.882 120.200 -0.529 0.000 2.209 194 E HA -0.152 4.197 4.350 -0.001 0.000 0.196 194 E C 2.102 178.474 176.600 -0.379 0.000 0.993 194 E CA 1.596 57.778 56.400 -0.363 0.000 0.819 194 E CB -0.855 28.713 29.700 -0.219 0.000 0.745 194 E HN 0.604 nan 8.360 nan 0.000 0.477 195 G N 0.547 108.989 108.800 -0.597 0.000 2.509 195 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.218 195 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.218 195 G C 0.786 175.749 174.900 0.105 0.000 1.124 195 G CA 0.696 45.675 45.100 -0.201 0.000 0.776 195 G HN 0.670 nan 8.290 nan 0.000 0.547 196 W N -3.907 117.454 121.300 0.102 0.000 1.526 196 W HA 0.603 5.263 4.660 -0.001 0.000 0.218 196 W C -0.641 176.007 176.519 0.216 0.000 0.797 196 W CA -1.257 56.155 57.345 0.113 0.000 0.997 196 W CB 0.332 29.835 29.460 0.071 0.000 0.926 196 W HN -0.097 nan 8.180 nan 0.000 0.483 197 F N 3.791 123.643 119.950 -0.163 0.000 2.941 197 F HA 0.524 5.051 4.527 -0.001 0.000 0.359 197 F C 0.191 175.934 175.800 -0.096 0.000 1.231 197 F CA -1.246 56.721 58.000 -0.055 0.000 1.089 197 F CB 1.112 40.109 39.000 -0.005 0.000 1.407 197 F HN 0.053 nan 8.300 nan 0.000 0.538 198 T N -0.309 114.132 114.554 -0.188 0.000 3.170 198 T HA 0.227 4.576 4.350 -0.001 0.000 0.288 198 T C -0.207 174.322 174.700 -0.284 0.000 0.992 198 T CA -0.361 61.581 62.100 -0.262 0.000 0.909 198 T CB -0.352 68.441 68.868 -0.126 0.000 1.133 198 T HN 0.239 nan 8.240 nan 0.000 0.530 199 D N 3.160 123.337 120.400 -0.371 0.000 2.506 199 D HA 0.101 4.740 4.640 -0.001 0.000 0.234 199 D C 0.071 176.229 176.300 -0.236 0.000 1.143 199 D CA 0.408 54.272 54.000 -0.228 0.000 0.871 199 D CB 0.449 41.170 40.800 -0.132 0.000 1.190 199 D HN 0.233 nan 8.370 nan 0.000 0.459 200 D N 1.357 121.674 120.400 -0.138 0.000 2.455 200 D HA 0.016 4.656 4.640 -0.001 0.000 0.234 200 D C 0.599 176.848 176.300 -0.085 0.000 1.224 200 D CA -0.028 53.907 54.000 -0.109 0.000 0.999 200 D CB 0.144 40.895 40.800 -0.081 0.000 1.072 200 D HN 0.128 nan 8.370 nan 0.000 0.514 201 T N 1.818 116.318 114.554 -0.089 0.000 2.788 201 T HA -0.132 4.217 4.350 -0.001 0.000 0.268 201 T C 1.844 176.542 174.700 -0.004 0.000 1.044 201 T CA 1.390 63.466 62.100 -0.039 0.000 1.139 201 T CB 0.067 68.872 68.868 -0.106 0.000 0.867 201 T HN 0.516 nan 8.240 nan 0.000 0.454 202 A N 1.524 124.325 122.820 -0.031 0.000 1.877 202 A HA -0.073 4.247 4.320 -0.001 0.000 0.216 202 A C 2.312 179.892 177.584 -0.007 0.000 1.186 202 A CA 1.847 53.871 52.037 -0.021 0.000 0.620 202 A CB -0.736 18.246 19.000 -0.030 0.000 0.822 202 A HN 0.515 nan 8.150 nan 0.000 0.443 203 M N -0.813 118.765 119.600 -0.037 0.000 2.159 203 M HA -0.172 4.308 4.480 -0.001 0.000 0.263 203 M C 2.340 178.574 176.300 -0.110 0.000 1.063 203 M CA 2.054 57.320 55.300 -0.058 0.000 1.110 203 M CB -0.213 32.350 32.600 -0.062 0.000 1.374 203 M HN 0.516 nan 8.290 nan 0.000 0.411 204 R N -0.308 120.110 120.500 -0.136 0.000 2.083 204 R HA -0.190 4.149 4.340 -0.001 0.000 0.237 204 R C 1.791 177.720 176.300 -0.618 0.000 1.137 204 R CA 2.134 58.034 56.100 -0.334 0.000 0.951 204 R CB -0.520 29.644 30.300 -0.226 0.000 0.851 204 R HN 0.377 nan 8.270 nan 0.000 0.434 205 F N 1.260 120.927 119.950 -0.470 0.000 2.259 205 F HA -0.019 4.507 4.527 -0.001 0.000 0.298 205 F C 2.216 177.941 175.800 -0.125 0.000 1.088 205 F CA 1.246 59.002 58.000 -0.407 0.000 1.358 205 F CB -0.122 38.664 39.000 -0.357 0.000 1.040 205 F HN 0.148 nan 8.300 nan 0.000 0.505 206 E N -0.062 120.170 120.200 0.054 0.000 2.110 206 E HA -0.191 4.159 4.350 -0.001 0.000 0.193 206 E C 2.386 179.001 176.600 0.026 0.000 0.988 206 E CA 0.972 57.414 56.400 0.070 0.000 0.804 206 E CB -0.305 29.411 29.700 0.027 0.000 0.745 206 E HN 0.350 nan 8.360 nan 0.000 0.458 207 A N 0.548 123.304 122.820 -0.107 0.000 2.019 207 A HA -0.177 4.143 4.320 -0.001 0.000 0.219 207 A C 1.381 178.984 177.584 0.032 0.000 1.164 207 A CA 1.139 53.117 52.037 -0.098 0.000 0.644 207 A CB -0.512 18.364 19.000 -0.206 0.000 0.805 207 A HN 0.261 nan 8.150 nan 0.000 0.449 208 Y N -0.838 119.466 120.300 0.007 0.000 2.529 208 Y HA 0.320 4.870 4.550 -0.001 0.000 0.290 208 Y C 1.893 177.932 175.900 0.232 0.000 1.177 208 Y CA -0.244 57.892 58.100 0.060 0.000 1.305 208 Y CB -0.744 37.660 38.460 -0.093 0.000 1.047 208 Y HN 0.450 nan 8.280 nan 0.000 0.522 209 G N -1.542 107.468 108.800 0.349 0.000 2.137 209 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.237 209 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.237 209 G C -0.323 174.779 174.900 0.338 0.000 1.002 209 G CA -0.315 44.945 45.100 0.267 0.000 0.702 209 G HN 0.202 nan 8.290 nan 0.000 0.515 210 W N 0.142 121.536 121.300 0.157 0.000 2.303 210 W HA 0.611 5.271 4.660 -0.001 0.000 0.334 210 W C 0.798 177.413 176.519 0.161 0.000 1.197 210 W CA -0.881 56.579 57.345 0.192 0.000 1.262 210 W CB 0.528 30.181 29.460 0.321 0.000 1.153 210 W HN 0.182 nan 8.180 nan 0.000 0.596 211 H N 2.369 121.597 119.070 0.264 0.000 2.723 211 H HA 0.361 4.917 4.556 -0.001 0.000 0.294 211 H C -0.968 174.480 175.328 0.201 0.000 1.079 211 H CA 0.014 56.163 56.048 0.168 0.000 1.411 211 H CB 0.541 30.349 29.762 0.076 0.000 1.439 211 H HN 0.099 nan 8.280 nan 0.000 0.474 212 V N 8.037 127.850 119.914 -0.169 0.000 2.435 212 V HA 0.258 4.378 4.120 -0.001 0.000 0.290 212 V C 0.472 176.459 176.094 -0.179 0.000 1.030 212 V CA -0.716 61.541 62.300 -0.071 0.000 0.881 212 V CB 1.697 33.514 31.823 -0.011 0.000 0.983 212 V HN 0.628 nan 8.190 nan 0.000 0.445 213 I N 5.167 125.701 120.570 -0.061 0.000 2.354 213 I HA 0.480 4.649 4.170 -0.001 0.000 0.286 213 I C 0.366 176.463 176.117 -0.032 0.000 1.007 213 I CA -0.435 60.842 61.300 -0.039 0.000 1.167 213 I CB 1.110 39.119 38.000 0.016 0.000 1.320 213 I HN 0.528 nan 8.210 nan 0.000 0.458 214 R N 4.632 125.111 120.500 -0.035 0.000 2.528 214 R HA 0.247 4.587 4.340 -0.001 0.000 0.271 214 R C -0.233 176.053 176.300 -0.023 0.000 1.056 214 R CA -0.580 55.503 56.100 -0.029 0.000 1.117 214 R CB 0.463 30.744 30.300 -0.031 0.000 1.085 214 R HN 0.559 nan 8.270 nan 0.000 0.530 215 D N 0.852 121.235 120.400 -0.028 0.000 2.723 215 D HA -0.188 4.451 4.640 -0.001 0.000 0.236 215 D C -0.542 175.743 176.300 -0.025 0.000 1.138 215 D CA 0.974 54.957 54.000 -0.028 0.000 0.676 215 D CB -1.080 39.708 40.800 -0.020 0.000 1.069 215 D HN 0.406 nan 8.370 nan 0.000 0.430 216 I N 0.810 121.360 120.570 -0.033 0.000 2.471 216 I HA 0.003 4.172 4.170 -0.001 0.000 0.286 216 I C 1.099 177.186 176.117 -0.049 0.000 1.079 216 I CA -0.225 61.058 61.300 -0.028 0.000 1.398 216 I CB 0.656 38.643 38.000 -0.021 0.000 1.403 216 I HN -0.165 nan 8.210 nan 0.000 0.530 217 D N 5.878 126.257 120.400 -0.034 0.000 2.348 217 D HA 0.051 4.690 4.640 -0.001 0.000 0.259 217 D C 1.251 177.487 176.300 -0.106 0.000 1.296 217 D CA -0.028 53.945 54.000 -0.045 0.000 0.931 217 D CB 1.202 42.002 40.800 0.000 0.000 1.067 217 D HN 0.711 nan 8.370 nan 0.000 0.503 218 G N 3.006 111.671 108.800 -0.227 0.000 2.708 218 G HA2 -0.189 3.770 3.960 -0.001 0.000 0.210 218 G HA3 -0.189 3.770 3.960 -0.001 0.000 0.210 218 G C 0.908 175.470 174.900 -0.563 0.000 1.141 218 G CA 0.327 45.197 45.100 -0.383 0.000 0.788 218 G HN 0.612 nan 8.290 nan 0.000 0.531 219 H N -0.681 118.311 119.070 -0.129 0.000 2.528 219 H HA 0.188 4.743 4.556 -0.001 0.000 0.282 219 H C -0.690 174.564 175.328 -0.123 0.000 1.097 219 H CA -0.374 55.540 56.048 -0.223 0.000 1.121 219 H CB 0.921 30.498 29.762 -0.309 0.000 1.590 219 H HN 0.349 nan 8.280 nan 0.000 0.553 220 D N 0.182 120.579 120.400 -0.004 0.000 2.462 220 D HA 0.405 5.044 4.640 -0.001 0.000 0.245 220 D C 1.142 177.449 176.300 0.011 0.000 1.122 220 D CA -0.341 53.669 54.000 0.016 0.000 0.864 220 D CB 1.144 41.961 40.800 0.028 0.000 1.098 220 D HN 0.088 nan 8.370 nan 0.000 0.541 221 A N 3.712 126.540 122.820 0.014 0.000 1.892 221 A HA -0.117 4.203 4.320 -0.001 0.000 0.218 221 A C 2.190 179.804 177.584 0.049 0.000 1.188 221 A CA 2.081 54.134 52.037 0.027 0.000 0.631 221 A CB -0.855 18.154 19.000 0.016 0.000 0.822 221 A HN 0.670 nan 8.150 nan 0.000 0.447 222 A N -0.758 122.087 122.820 0.041 0.000 1.908 222 A HA -0.098 4.222 4.320 -0.001 0.000 0.218 222 A C 2.465 180.084 177.584 0.058 0.000 1.181 222 A CA 2.201 54.267 52.037 0.050 0.000 0.627 222 A CB -0.935 18.087 19.000 0.038 0.000 0.818 222 A HN 0.478 nan 8.150 nan 0.000 0.445 223 S N -0.207 115.520 115.700 0.044 0.000 2.368 223 S HA -0.124 4.346 4.470 -0.001 0.000 0.225 223 S C 1.805 176.436 174.600 0.053 0.000 1.030 223 S CA 1.549 59.773 58.200 0.040 0.000 0.999 223 S CB -0.517 62.697 63.200 0.023 0.000 0.844 223 S HN 0.541 nan 8.310 nan 0.000 0.459 224 I N 1.477 122.083 120.570 0.061 0.000 2.179 224 I HA -0.216 3.954 4.170 -0.001 0.000 0.242 224 I C 2.487 178.684 176.117 0.133 0.000 1.088 224 I CA 1.281 62.640 61.300 0.098 0.000 1.357 224 I CB -0.279 37.781 38.000 0.101 0.000 1.051 224 I HN 0.218 nan 8.210 nan 0.000 0.409 225 K N 1.147 121.644 120.400 0.162 0.000 2.026 225 K HA -0.177 4.143 4.320 -0.001 0.000 0.208 225 K C 2.362 179.074 176.600 0.187 0.000 1.048 225 K CA 1.381 57.824 56.287 0.259 0.000 0.929 225 K CB -0.039 32.609 32.500 0.247 0.000 0.713 225 K HN 0.166 nan 8.250 nan 0.000 0.439 226 R N -0.080 120.492 120.500 0.120 0.000 2.091 226 R HA -0.137 4.203 4.340 -0.001 0.000 0.238 226 R C 2.386 178.719 176.300 0.055 0.000 1.136 226 R CA 1.346 57.499 56.100 0.088 0.000 0.959 226 R CB -0.371 29.968 30.300 0.065 0.000 0.856 226 R HN 0.280 nan 8.270 nan 0.000 0.437 227 A N 0.614 123.457 122.820 0.039 0.000 1.898 227 A HA -0.097 4.222 4.320 -0.001 0.000 0.216 227 A C 2.361 179.912 177.584 -0.055 0.000 1.181 227 A CA 1.282 53.323 52.037 0.007 0.000 0.620 227 A CB -0.469 18.535 19.000 0.006 0.000 0.819 227 A HN 0.112 nan 8.150 nan 0.000 0.442 228 V N 0.272 120.120 119.914 -0.109 0.000 2.343 228 V HA -0.289 3.831 4.120 -0.001 0.000 0.247 228 V C 2.378 178.295 176.094 -0.295 0.000 1.051 228 V CA 2.331 64.441 62.300 -0.316 0.000 1.036 228 V CB -0.954 30.450 31.823 -0.698 0.000 0.654 228 V HN 0.644 nan 8.190 nan 0.000 0.451 229 E N -0.107 120.019 120.200 -0.123 0.000 2.077 229 E HA -0.275 4.075 4.350 -0.001 0.000 0.193 229 E C 2.268 178.863 176.600 -0.008 0.000 0.989 229 E CA 1.435 57.843 56.400 0.015 0.000 0.800 229 E CB -0.147 29.635 29.700 0.136 0.000 0.746 229 E HN 0.720 nan 8.360 nan 0.000 0.452 230 E N 0.754 120.948 120.200 -0.009 0.000 2.058 230 E HA -0.232 4.118 4.350 -0.001 0.000 0.194 230 E C 2.089 178.643 176.600 -0.077 0.000 0.997 230 E CA 1.110 57.501 56.400 -0.015 0.000 0.801 230 E CB -0.101 29.625 29.700 0.043 0.000 0.746 230 E HN 0.224 nan 8.360 nan 0.000 0.450 231 A N 1.155 123.934 122.820 -0.067 0.000 1.940 231 A HA -0.197 4.123 4.320 -0.001 0.000 0.219 231 A C 2.159 179.705 177.584 -0.064 0.000 1.176 231 A CA 1.640 53.632 52.037 -0.075 0.000 0.631 231 A CB -0.505 18.450 19.000 -0.076 0.000 0.814 231 A HN 0.212 nan 8.150 nan 0.000 0.446 232 R N -0.698 119.764 120.500 -0.063 0.000 2.148 232 R HA 0.027 4.366 4.340 -0.001 0.000 0.227 232 R C 2.241 178.570 176.300 0.049 0.000 1.103 232 R CA 0.957 57.064 56.100 0.012 0.000 0.983 232 R CB -0.326 29.937 30.300 -0.061 0.000 0.874 232 R HN 0.504 nan 8.270 nan 0.000 0.451 233 A N 0.735 123.548 122.820 -0.011 0.000 2.067 233 A HA 0.038 4.358 4.320 -0.001 0.000 0.217 233 A C 0.878 178.424 177.584 -0.063 0.000 1.156 233 A CA 0.354 52.381 52.037 -0.017 0.000 0.683 233 A CB 0.365 19.353 19.000 -0.021 0.000 0.808 233 A HN 0.025 nan 8.150 nan 0.000 0.455 234 V N 1.869 121.705 119.914 -0.129 0.000 2.372 234 V HA 0.156 4.275 4.120 -0.001 0.000 0.261 234 V C 1.506 177.541 176.094 -0.100 0.000 1.055 234 V CA 0.692 62.887 62.300 -0.176 0.000 0.930 234 V CB 0.431 32.023 31.823 -0.385 0.000 1.031 234 V HN 0.610 nan 8.190 nan 0.000 0.479 235 T N -0.825 113.684 114.554 -0.074 0.000 3.060 235 T HA 0.010 4.360 4.350 -0.001 0.000 0.249 235 T C 0.778 175.424 174.700 -0.089 0.000 1.079 235 T CA 0.548 62.607 62.100 -0.069 0.000 1.013 235 T CB -0.063 68.775 68.868 -0.050 0.000 0.975 235 T HN 0.680 nan 8.240 nan 0.000 0.518 236 D N 0.006 120.356 120.400 -0.083 0.000 2.469 236 D HA 0.256 4.896 4.640 -0.001 0.000 0.215 236 D C 0.111 176.357 176.300 -0.090 0.000 1.154 236 D CA -0.382 53.570 54.000 -0.080 0.000 0.832 236 D CB 0.218 40.987 40.800 -0.052 0.000 1.008 236 D HN 0.341 nan 8.370 nan 0.000 0.506 237 K N 0.697 121.031 120.400 -0.111 0.000 2.527 237 K HA 0.404 4.723 4.320 -0.001 0.000 0.260 237 K C -2.978 173.475 176.600 -0.245 0.000 0.937 237 K CA -1.883 54.316 56.287 -0.145 0.000 0.826 237 K CB 3.068 35.555 32.500 -0.022 0.000 1.359 237 K HN -0.158 nan 8.250 nan 0.000 0.434 238 P HA 0.087 nan 4.420 nan 0.000 0.272 238 P C -0.857 176.177 177.300 -0.442 0.000 1.223 238 P CA -0.302 62.355 63.100 -0.738 0.000 0.784 238 P CB 0.929 31.666 31.700 -1.605 0.000 0.923 239 S N 1.256 116.869 115.700 -0.145 0.000 2.482 239 S HA 0.521 4.990 4.470 -0.001 0.000 0.303 239 S C -0.470 174.389 174.600 0.432 0.000 1.091 239 S CA -0.518 57.810 58.200 0.212 0.000 1.057 239 S CB 0.833 64.099 63.200 0.110 0.000 1.031 239 S HN 0.391 nan 8.310 nan 0.000 0.485 240 L N 3.651 125.140 121.223 0.443 0.000 2.325 240 L HA 0.599 4.939 4.340 -0.001 0.000 0.281 240 L C -1.734 175.143 176.870 0.013 0.000 1.004 240 L CA -0.559 54.386 54.840 0.174 0.000 0.823 240 L CB 0.891 42.882 42.059 -0.113 0.000 1.236 240 L HN 0.477 nan 8.230 nan 0.000 0.415 241 L N 6.560 127.737 121.223 -0.077 0.000 2.272 241 L HA 0.407 4.747 4.340 -0.001 0.000 0.284 241 L C -0.105 176.754 176.870 -0.017 0.000 1.045 241 L CA -0.064 54.721 54.840 -0.092 0.000 0.842 241 L CB 1.023 42.933 42.059 -0.249 0.000 1.224 241 L HN 0.560 nan 8.230 nan 0.000 0.430 242 M N 2.722 122.319 119.600 -0.004 0.000 2.628 242 M HA 0.083 4.563 4.480 -0.001 0.000 0.326 242 M C -0.540 175.722 176.300 -0.063 0.000 1.613 242 M CA 0.264 55.571 55.300 0.011 0.000 1.387 242 M CB -0.474 32.138 32.600 0.020 0.000 1.761 242 M HN 0.456 nan 8.290 nan 0.000 0.459 243 C N 5.011 124.245 119.300 -0.111 0.000 2.225 243 C HA 0.285 4.745 4.460 -0.001 0.000 0.328 243 C C 0.879 175.737 174.990 -0.221 0.000 1.187 243 C CA -1.136 57.798 59.018 -0.140 0.000 1.665 243 C CB -0.195 27.477 27.740 -0.113 0.000 2.253 243 C HN 0.565 nan 8.230 nan 0.000 0.497 244 K N 3.418 123.713 120.400 -0.175 0.000 2.378 244 K HA 0.306 4.626 4.320 -0.001 0.000 0.288 244 K C 0.554 177.038 176.600 -0.195 0.000 1.057 244 K CA 0.402 56.594 56.287 -0.158 0.000 0.971 244 K CB 0.465 32.914 32.500 -0.086 0.000 0.975 244 K HN 0.873 nan 8.250 nan 0.000 0.475 245 T N -0.537 113.919 114.554 -0.164 0.000 2.901 245 T HA 0.649 4.998 4.350 -0.001 0.000 0.293 245 T C 0.158 174.961 174.700 0.172 0.000 1.084 245 T CA -0.928 61.091 62.100 -0.135 0.000 1.008 245 T CB 1.136 69.878 68.868 -0.209 0.000 1.170 245 T HN 0.340 nan 8.240 nan 0.000 0.509 246 I N 1.901 122.792 120.570 0.535 0.000 2.328 246 I HA 0.367 4.536 4.170 -0.001 0.000 0.287 246 I C 0.411 176.693 176.117 0.275 0.000 1.012 246 I CA -1.008 60.495 61.300 0.340 0.000 1.195 246 I CB 1.181 39.370 38.000 0.314 0.000 1.350 246 I HN 0.651 nan 8.210 nan 0.000 0.464 247 I N 6.444 127.114 120.570 0.167 0.000 2.775 247 I HA 0.035 4.205 4.170 -0.001 0.000 0.290 247 I C 1.394 177.584 176.117 0.122 0.000 1.203 247 I CA 1.114 62.499 61.300 0.143 0.000 1.433 247 I CB 0.476 38.555 38.000 0.130 0.000 1.354 247 I HN 0.950 nan 8.210 nan 0.000 0.579 248 G N 5.870 114.738 108.800 0.114 0.000 2.179 248 G HA2 -0.352 3.607 3.960 -0.001 0.000 0.257 248 G HA3 -0.352 3.607 3.960 -0.001 0.000 0.257 248 G C 0.265 175.206 174.900 0.068 0.000 1.010 248 G CA 0.137 45.278 45.100 0.069 0.000 0.736 248 G HN 0.725 nan 8.290 nan 0.000 0.513 249 F N 0.885 120.809 119.950 -0.043 0.000 2.548 249 F HA 0.311 4.837 4.527 -0.001 0.000 0.403 249 F C 1.563 177.294 175.800 -0.116 0.000 1.004 249 F CA 2.045 59.968 58.000 -0.128 0.000 1.177 249 F CB 0.210 39.057 39.000 -0.255 0.000 0.974 249 F HN 1.080 nan 8.300 nan 0.000 0.541 250 G N 2.965 111.454 108.800 -0.519 0.000 2.391 250 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.204 250 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.204 250 G C 0.339 175.118 174.900 -0.201 0.000 1.012 250 G CA -0.035 44.885 45.100 -0.301 0.000 0.651 250 G HN 1.053 nan 8.290 nan 0.000 0.494 251 S N 3.027 118.637 115.700 -0.151 0.000 2.422 251 S HA 0.527 4.997 4.470 -0.001 0.000 0.283 251 S C -0.078 174.451 174.600 -0.118 0.000 1.163 251 S CA -0.490 57.647 58.200 -0.105 0.000 1.054 251 S CB 1.403 64.560 63.200 -0.071 0.000 0.967 251 S HN 0.214 nan 8.310 nan 0.000 0.499 252 P HA -0.090 nan 4.420 nan 0.000 0.216 252 P C 0.605 177.862 177.300 -0.072 0.000 1.150 252 P CA 1.271 64.314 63.100 -0.095 0.000 0.837 252 P CB 0.095 31.750 31.700 -0.074 0.000 0.786 253 N N -0.867 117.797 118.700 -0.060 0.000 2.356 253 N HA 0.043 4.783 4.740 -0.001 0.000 0.178 253 N C 1.370 176.849 175.510 -0.051 0.000 1.075 253 N CA 0.539 53.560 53.050 -0.048 0.000 0.889 253 N CB 0.346 38.810 38.487 -0.040 0.000 0.999 253 N HN 0.295 nan 8.380 nan 0.000 0.464 254 K N 0.210 120.576 120.400 -0.057 0.000 2.412 254 K HA 0.307 4.626 4.320 -0.001 0.000 0.202 254 K C 0.296 176.868 176.600 -0.047 0.000 1.102 254 K CA -0.195 56.056 56.287 -0.059 0.000 1.027 254 K CB 1.214 33.680 32.500 -0.057 0.000 0.931 254 K HN -0.044 nan 8.250 nan 0.000 0.557 255 A N 0.955 123.743 122.820 -0.053 0.000 2.531 255 A HA 0.385 4.704 4.320 -0.001 0.000 0.236 255 A C 1.186 178.762 177.584 -0.013 0.000 1.062 255 A CA 1.032 53.046 52.037 -0.039 0.000 0.760 255 A CB -0.489 18.451 19.000 -0.099 0.000 0.995 255 A HN 0.531 nan 8.150 nan 0.000 0.501 256 G N 1.215 110.030 108.800 0.024 0.000 2.148 256 G HA2 -0.119 3.840 3.960 -0.001 0.000 0.254 256 G HA3 -0.119 3.840 3.960 -0.001 0.000 0.254 256 G C 0.455 175.363 174.900 0.013 0.000 0.981 256 G CA 1.330 46.455 45.100 0.042 0.000 0.670 256 G HN 2.366 nan 8.290 nan 0.000 0.528 257 T N -3.373 111.171 114.554 -0.017 0.000 2.924 257 T HA 0.621 4.970 4.350 -0.001 0.000 0.291 257 T C 1.361 176.028 174.700 -0.055 0.000 1.045 257 T CA 0.279 62.337 62.100 -0.070 0.000 1.015 257 T CB 1.398 70.190 68.868 -0.126 0.000 1.103 257 T HN 0.704 nan 8.240 nan 0.000 0.496 258 H N 0.922 119.978 119.070 -0.023 0.000 2.489 258 H HA -0.071 4.485 4.556 -0.001 0.000 0.293 258 H C 0.571 175.944 175.328 0.075 0.000 1.066 258 H CA 1.751 57.817 56.048 0.031 0.000 1.305 258 H CB -0.473 29.296 29.762 0.012 0.000 1.386 258 H HN 0.728 nan 8.280 nan 0.000 0.551 259 D N 1.181 121.286 120.400 -0.491 0.000 2.218 259 D HA -0.149 4.490 4.640 -0.001 0.000 0.204 259 D C 2.263 178.523 176.300 -0.068 0.000 0.976 259 D CA 1.954 55.788 54.000 -0.277 0.000 0.853 259 D CB 0.005 40.629 40.800 -0.293 0.000 0.939 259 D HN 0.566 nan 8.370 nan 0.000 0.481 260 S N -0.841 114.843 115.700 -0.027 0.000 2.562 260 S HA -0.091 4.379 4.470 -0.001 0.000 0.221 260 S C 1.726 176.369 174.600 0.071 0.000 0.975 260 S CA 0.251 58.460 58.200 0.014 0.000 0.918 260 S CB -0.256 62.954 63.200 0.017 0.000 0.772 260 S HN 0.394 nan 8.310 nan 0.000 0.531 261 H N 2.151 121.255 119.070 0.056 0.000 2.293 261 H HA 0.148 4.703 4.556 -0.001 0.000 0.300 261 H C 1.559 176.971 175.328 0.140 0.000 1.082 261 H CA 2.013 58.134 56.048 0.121 0.000 1.308 261 H CB -0.603 29.233 29.762 0.124 0.000 1.375 261 H HN 0.465 nan 8.280 nan 0.000 0.495 262 G N -1.519 107.172 108.800 -0.182 0.000 4.530 262 G HA2 0.584 4.543 3.960 -0.001 0.000 0.284 262 G HA3 0.584 4.543 3.960 -0.001 0.000 0.284 262 G C -0.762 173.945 174.900 -0.322 0.000 1.008 262 G CA 0.261 45.087 45.100 -0.457 0.000 0.770 262 G HN 0.663 nan 8.290 nan 0.000 0.424 263 A N 0.111 122.830 122.820 -0.169 0.000 2.556 263 A HA 0.916 5.236 4.320 -0.001 0.000 0.294 263 A C -3.122 174.420 177.584 -0.069 0.000 1.091 263 A CA -1.421 50.551 52.037 -0.108 0.000 0.704 263 A CB 1.432 20.402 19.000 -0.049 0.000 1.300 263 A HN -0.008 nan 8.150 nan 0.000 0.406 264 P HA 0.140 nan 4.420 nan 0.000 0.266 264 P C 0.787 178.072 177.300 -0.025 0.000 1.193 264 P CA -0.031 63.057 63.100 -0.020 0.000 0.770 264 P CB 0.411 32.111 31.700 -0.001 0.000 0.836 265 L N 1.378 122.584 121.223 -0.028 0.000 2.141 265 L HA 0.043 4.382 4.340 -0.001 0.000 0.209 265 L C 1.174 178.029 176.870 -0.025 0.000 1.094 265 L CA 1.317 56.139 54.840 -0.031 0.000 0.763 265 L CB -1.014 41.023 42.059 -0.037 0.000 0.908 265 L HN 0.738 nan 8.230 nan 0.000 0.437 266 G N -0.392 108.398 108.800 -0.017 0.000 2.697 266 G HA2 -0.171 3.789 3.960 -0.001 0.000 0.686 266 G HA3 -0.171 3.789 3.960 -0.001 0.000 0.686 266 G C -0.177 174.716 174.900 -0.011 0.000 1.179 266 G CA -0.303 44.790 45.100 -0.011 0.000 0.765 266 G HN 0.063 nan 8.290 nan 0.000 0.649 267 D N 0.698 121.096 120.400 -0.004 0.000 2.117 267 D HA -0.124 4.515 4.640 -0.001 0.000 0.197 267 D C 2.766 179.063 176.300 -0.005 0.000 0.987 267 D CA 1.982 55.981 54.000 -0.001 0.000 0.829 267 D CB -0.215 40.589 40.800 0.007 0.000 0.961 267 D HN 0.850 nan 8.370 nan 0.000 0.460 268 A N 1.149 123.965 122.820 -0.006 0.000 1.883 268 A HA -0.236 4.084 4.320 -0.001 0.000 0.217 268 A C 2.164 179.739 177.584 -0.014 0.000 1.186 268 A CA 1.951 53.983 52.037 -0.008 0.000 0.624 268 A CB -0.541 18.454 19.000 -0.009 0.000 0.822 268 A HN 0.123 nan 8.150 nan 0.000 0.444 269 E N 0.115 120.304 120.200 -0.018 0.000 2.106 269 E HA -0.108 4.241 4.350 -0.001 0.000 0.192 269 E C 1.701 178.285 176.600 -0.028 0.000 0.984 269 E CA 1.195 57.580 56.400 -0.026 0.000 0.806 269 E CB -0.383 29.299 29.700 -0.030 0.000 0.750 269 E HN 0.643 nan 8.360 nan 0.000 0.458 270 I N 0.214 120.770 120.570 -0.025 0.000 2.226 270 I HA -0.293 3.876 4.170 -0.001 0.000 0.245 270 I C 2.313 178.423 176.117 -0.012 0.000 1.100 270 I CA 1.019 62.303 61.300 -0.027 0.000 1.374 270 I CB -0.401 37.581 38.000 -0.031 0.000 1.057 270 I HN 0.194 nan 8.210 nan 0.000 0.413 271 A N 1.007 123.824 122.820 -0.006 0.000 1.883 271 A HA -0.196 4.123 4.320 -0.001 0.000 0.217 271 A C 2.276 179.858 177.584 -0.003 0.000 1.186 271 A CA 1.553 53.591 52.037 0.001 0.000 0.624 271 A CB -0.907 18.092 19.000 -0.001 0.000 0.822 271 A HN 0.402 nan 8.150 nan 0.000 0.444 272 L N -0.829 120.385 121.223 -0.014 0.000 2.083 272 L HA -0.149 4.191 4.340 -0.001 0.000 0.209 272 L C 2.745 179.600 176.870 -0.026 0.000 1.083 272 L CA 1.655 56.482 54.840 -0.021 0.000 0.752 272 L CB -0.876 41.165 42.059 -0.029 0.000 0.899 272 L HN 0.357 nan 8.230 nan 0.000 0.433 273 T N -0.845 113.693 114.554 -0.027 0.000 2.777 273 T HA -0.149 4.201 4.350 -0.001 0.000 0.266 273 T C 2.040 176.743 174.700 0.005 0.000 1.040 273 T CA 1.004 63.085 62.100 -0.032 0.000 1.141 273 T CB -0.148 68.694 68.868 -0.043 0.000 0.868 273 T HN 0.253 nan 8.240 nan 0.000 0.444 274 R N 0.903 121.424 120.500 0.035 0.000 2.103 274 R HA -0.137 4.203 4.340 -0.001 0.000 0.242 274 R C 2.531 178.874 176.300 0.072 0.000 1.142 274 R CA 1.685 57.847 56.100 0.103 0.000 0.960 274 R CB -0.220 30.147 30.300 0.112 0.000 0.858 274 R HN 0.553 nan 8.270 nan 0.000 0.439 275 E N 0.138 120.353 120.200 0.025 0.000 2.072 275 E HA -0.245 4.104 4.350 -0.001 0.000 0.191 275 E C 2.083 178.683 176.600 0.000 0.000 0.985 275 E CA 1.075 57.478 56.400 0.005 0.000 0.801 275 E CB -0.010 29.684 29.700 -0.010 0.000 0.750 275 E HN 0.331 nan 8.360 nan 0.000 0.452 276 Q N 0.627 120.418 119.800 -0.015 0.000 2.084 276 Q HA -0.138 4.201 4.340 -0.001 0.000 0.202 276 Q C 1.992 177.987 176.000 -0.009 0.000 0.978 276 Q CA 1.082 56.862 55.803 -0.039 0.000 0.844 276 Q CB 0.070 28.754 28.738 -0.090 0.000 0.898 276 Q HN 0.280 nan 8.270 nan 0.000 0.426 277 L N -0.763 120.481 121.223 0.035 0.000 2.492 277 L HA 0.143 4.483 4.340 -0.001 0.000 0.223 277 L C 1.220 178.176 176.870 0.143 0.000 1.132 277 L CA 0.405 55.308 54.840 0.104 0.000 0.850 277 L CB -0.132 42.010 42.059 0.138 0.000 0.966 277 L HN 0.540 nan 8.230 nan 0.000 0.454 278 G N -0.521 108.339 108.800 0.100 0.000 2.249 278 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.273 278 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.273 278 G C -0.072 174.888 174.900 0.100 0.000 1.036 278 G CA -0.142 44.999 45.100 0.069 0.000 0.824 278 G HN 0.454 nan 8.290 nan 0.000 0.504 279 W N 1.500 122.780 121.300 -0.032 0.000 2.311 279 W HA 0.440 5.100 4.660 -0.001 0.000 0.317 279 W C 1.032 177.492 176.519 -0.098 0.000 1.065 279 W CA -0.388 56.940 57.345 -0.029 0.000 1.364 279 W CB 0.485 29.956 29.460 0.019 0.000 1.233 279 W HN 0.355 nan 8.180 nan 0.000 0.409 280 K N 4.177 124.155 120.400 -0.703 0.000 2.356 280 K HA -0.032 4.287 4.320 -0.001 0.000 0.195 280 K C -0.360 175.872 176.600 -0.613 0.000 1.037 280 K CA 0.335 56.257 56.287 -0.609 0.000 1.014 280 K CB -0.156 31.939 32.500 -0.675 0.000 0.815 280 K HN 0.202 nan 8.250 nan 0.000 0.507 281 Y N 2.199 122.122 120.300 -0.628 0.000 2.336 281 Y HA 0.301 4.850 4.550 -0.001 0.000 0.331 281 Y C 0.956 176.866 175.900 0.017 0.000 1.211 281 Y CA -0.813 57.108 58.100 -0.299 0.000 1.346 281 Y CB 0.593 38.837 38.460 -0.360 0.000 1.271 281 Y HN 0.088 nan 8.280 nan 0.000 0.538 282 A N 4.241 127.177 122.820 0.194 0.000 2.346 282 A HA 0.375 4.695 4.320 -0.001 0.000 0.252 282 A C -2.429 175.252 177.584 0.161 0.000 1.089 282 A CA -1.574 50.554 52.037 0.151 0.000 0.797 282 A CB -0.544 18.528 19.000 0.120 0.000 1.047 282 A HN 0.547 nan 8.150 nan 0.000 0.494 283 P HA 0.162 nan 4.420 nan 0.000 0.262 283 P C -0.383 176.923 177.300 0.009 0.000 1.182 283 P CA 0.742 63.765 63.100 -0.128 0.000 0.761 283 P CB -0.243 31.392 31.700 -0.108 0.000 0.795 284 F N -0.667 119.321 119.950 0.063 0.000 2.953 284 F HA -0.232 4.295 4.527 -0.001 0.000 0.292 284 F C 0.727 176.567 175.800 0.067 0.000 0.747 284 F CA 0.838 58.854 58.000 0.026 0.000 1.222 284 F CB -1.996 37.002 39.000 -0.004 0.000 1.457 284 F HN 0.335 nan 8.300 nan 0.000 0.383 285 E N 1.909 122.232 120.200 0.205 0.000 2.134 285 E HA 0.553 4.902 4.350 -0.001 0.000 0.278 285 E C -0.617 176.020 176.600 0.062 0.000 0.959 285 E CA -0.485 56.010 56.400 0.158 0.000 0.783 285 E CB 0.781 30.585 29.700 0.173 0.000 1.095 285 E HN 0.175 nan 8.360 nan 0.000 0.399 286 I N 6.640 127.186 120.570 -0.041 0.000 2.478 286 I HA 0.316 4.486 4.170 -0.001 0.000 0.287 286 I C -2.237 173.687 176.117 -0.322 0.000 1.042 286 I CA -2.535 58.587 61.300 -0.297 0.000 1.067 286 I CB 1.332 39.020 38.000 -0.519 0.000 1.233 286 I HN 0.500 nan 8.210 nan 0.000 0.431 287 P HA 0.134 nan 4.420 nan 0.000 0.274 287 P C 0.929 178.203 177.300 -0.042 0.000 1.231 287 P CA -0.142 62.787 63.100 -0.285 0.000 0.790 287 P CB 0.955 32.408 31.700 -0.412 0.000 0.951 288 S N 1.643 117.400 115.700 0.094 0.000 2.387 288 S HA -0.246 4.223 4.470 -0.001 0.000 0.230 288 S C 1.531 176.213 174.600 0.138 0.000 1.035 288 S CA 1.522 59.830 58.200 0.179 0.000 1.014 288 S CB -0.997 62.268 63.200 0.108 0.000 0.836 288 S HN 0.656 nan 8.310 nan 0.000 0.466 289 E N 1.616 121.855 120.200 0.065 0.000 2.150 289 E HA -0.083 4.266 4.350 -0.001 0.000 0.193 289 E C 2.148 178.789 176.600 0.068 0.000 0.985 289 E CA 1.090 57.525 56.400 0.059 0.000 0.814 289 E CB -0.605 29.119 29.700 0.041 0.000 0.752 289 E HN 0.669 nan 8.360 nan 0.000 0.466 290 I N -0.005 120.588 120.570 0.038 0.000 2.333 290 I HA -0.206 3.963 4.170 -0.001 0.000 0.246 290 I C 2.197 178.412 176.117 0.163 0.000 1.106 290 I CA 0.802 62.150 61.300 0.080 0.000 1.411 290 I CB -0.334 37.691 38.000 0.042 0.000 1.082 290 I HN -0.064 nan 8.210 nan 0.000 0.420 291 Y N 1.113 121.499 120.300 0.145 0.000 2.165 291 Y HA -0.275 4.275 4.550 -0.001 0.000 0.286 291 Y C 2.705 178.682 175.900 0.128 0.000 1.155 291 Y CA 1.343 59.525 58.100 0.137 0.000 1.164 291 Y CB -0.995 37.498 38.460 0.055 0.000 0.978 291 Y HN 0.135 nan 8.280 nan 0.000 0.513 292 A N -0.237 122.728 122.820 0.242 0.000 1.940 292 A HA -0.275 4.045 4.320 -0.001 0.000 0.219 292 A C 2.067 179.718 177.584 0.112 0.000 1.176 292 A CA 2.044 54.166 52.037 0.142 0.000 0.631 292 A CB -0.627 18.428 19.000 0.091 0.000 0.814 292 A HN 0.602 nan 8.150 nan 0.000 0.446 293 Q N -2.706 117.156 119.800 0.102 0.000 2.269 293 Q HA -0.087 4.252 4.340 -0.001 0.000 0.201 293 Q C 1.775 177.771 176.000 -0.006 0.000 0.946 293 Q CA 0.933 56.741 55.803 0.008 0.000 0.877 293 Q CB -0.094 28.608 28.738 -0.061 0.000 0.963 293 Q HN 0.884 nan 8.270 nan 0.000 0.472 294 W N 1.424 122.770 121.300 0.075 0.000 2.576 294 W HA 0.011 4.671 4.660 -0.001 0.000 0.275 294 W C 0.375 176.967 176.519 0.121 0.000 1.241 294 W CA -0.288 57.112 57.345 0.092 0.000 1.328 294 W CB 0.385 29.890 29.460 0.076 0.000 1.092 294 W HN 0.024 nan 8.180 nan 0.000 0.586 295 D N -0.317 120.293 120.400 0.351 0.000 2.455 295 D HA 0.179 4.818 4.640 -0.001 0.000 0.241 295 D C 0.756 177.152 176.300 0.160 0.000 1.138 295 D CA 0.635 54.774 54.000 0.230 0.000 0.877 295 D CB 1.266 42.149 40.800 0.139 0.000 1.187 295 D HN 0.041 nan 8.370 nan 0.000 0.451 296 A N 3.700 126.593 122.820 0.121 0.000 2.508 296 A HA 0.102 4.421 4.320 -0.001 0.000 0.257 296 A C 1.644 179.166 177.584 -0.103 0.000 1.226 296 A CA -0.284 51.767 52.037 0.022 0.000 0.947 296 A CB 0.115 19.128 19.000 0.023 0.000 1.079 296 A HN 0.572 nan 8.150 nan 0.000 0.531 297 K N 0.517 120.868 120.400 -0.082 0.000 2.026 297 K HA -0.160 4.160 4.320 -0.001 0.000 0.208 297 K C 1.502 178.035 176.600 -0.111 0.000 1.048 297 K CA 1.775 57.989 56.287 -0.123 0.000 0.929 297 K CB -0.039 32.401 32.500 -0.100 0.000 0.713 297 K HN 0.603 nan 8.250 nan 0.000 0.439 298 E N 0.454 120.611 120.200 -0.072 0.000 2.046 298 E HA -0.137 4.212 4.350 -0.001 0.000 0.190 298 E C 2.098 178.657 176.600 -0.068 0.000 0.982 298 E CA 0.904 57.266 56.400 -0.063 0.000 0.800 298 E CB -0.073 29.604 29.700 -0.039 0.000 0.756 298 E HN 0.301 nan 8.360 nan 0.000 0.449 299 A N 1.292 124.077 122.820 -0.058 0.000 1.902 299 A HA -0.100 4.220 4.320 -0.001 0.000 0.217 299 A C 2.421 179.955 177.584 -0.083 0.000 1.181 299 A CA 1.724 53.731 52.037 -0.049 0.000 0.623 299 A CB -1.172 17.815 19.000 -0.022 0.000 0.818 299 A HN 0.356 nan 8.150 nan 0.000 0.443 300 G N -0.967 107.748 108.800 -0.142 0.000 2.446 300 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.217 300 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.217 300 G C 1.637 176.389 174.900 -0.247 0.000 1.168 300 G CA 1.210 46.186 45.100 -0.206 0.000 0.771 300 G HN 0.585 nan 8.290 nan 0.000 0.551 301 Q N -0.013 119.664 119.800 -0.206 0.000 2.084 301 Q HA 0.033 4.372 4.340 -0.001 0.000 0.202 301 Q C 2.853 178.742 176.000 -0.185 0.000 0.978 301 Q CA 1.657 57.338 55.803 -0.203 0.000 0.844 301 Q CB -0.313 28.339 28.738 -0.143 0.000 0.898 301 Q HN 0.443 nan 8.270 nan 0.000 0.426 302 A N 0.719 123.462 122.820 -0.129 0.000 1.877 302 A HA -0.233 4.086 4.320 -0.001 0.000 0.216 302 A C 1.899 179.430 177.584 -0.088 0.000 1.186 302 A CA 1.777 53.764 52.037 -0.084 0.000 0.620 302 A CB -0.386 18.586 19.000 -0.046 0.000 0.822 302 A HN 0.299 nan 8.150 nan 0.000 0.443 303 K N -0.659 119.677 120.400 -0.107 0.000 2.057 303 K HA -0.156 4.164 4.320 -0.001 0.000 0.206 303 K C 2.153 178.594 176.600 -0.263 0.000 1.050 303 K CA 1.508 57.764 56.287 -0.051 0.000 0.935 303 K CB -0.140 32.414 32.500 0.090 0.000 0.715 303 K HN 0.686 nan 8.250 nan 0.000 0.439 304 E N 0.715 120.482 120.200 -0.722 0.000 2.072 304 E HA -0.182 4.168 4.350 -0.001 0.000 0.191 304 E C 2.090 178.487 176.600 -0.337 0.000 0.985 304 E CA 1.120 56.873 56.400 -1.077 0.000 0.801 304 E CB 0.036 28.953 29.700 -1.304 0.000 0.750 304 E HN 0.146 nan 8.360 nan 0.000 0.452 305 S N -0.103 115.471 115.700 -0.211 0.000 2.353 305 S HA -0.221 4.249 4.470 -0.001 0.000 0.222 305 S C 2.081 176.685 174.600 0.007 0.000 1.035 305 S CA 1.510 59.664 58.200 -0.075 0.000 1.025 305 S CB -0.418 62.740 63.200 -0.069 0.000 0.902 305 S HN 0.440 nan 8.310 nan 0.000 0.440 306 A N 0.100 122.938 122.820 0.029 0.000 1.908 306 A HA -0.158 4.162 4.320 -0.001 0.000 0.218 306 A C 1.926 179.602 177.584 0.154 0.000 1.181 306 A CA 1.770 53.857 52.037 0.084 0.000 0.627 306 A CB -1.415 17.647 19.000 0.103 0.000 0.818 306 A HN 0.872 nan 8.150 nan 0.000 0.445 307 W N 1.311 122.657 121.300 0.076 0.000 2.358 307 W HA -0.169 4.491 4.660 -0.001 0.000 0.303 307 W C 1.855 178.479 176.519 0.176 0.000 1.208 307 W CA 1.813 59.276 57.345 0.196 0.000 1.274 307 W CB -0.193 29.533 29.460 0.442 0.000 1.138 307 W HN 0.362 nan 8.180 nan 0.000 0.515 308 N N 0.639 119.477 118.700 0.229 0.000 2.104 308 N HA -0.213 4.527 4.740 -0.001 0.000 0.190 308 N C 1.515 177.018 175.510 -0.012 0.000 1.024 308 N CA 2.108 55.210 53.050 0.085 0.000 0.853 308 N CB -0.758 37.801 38.487 0.120 0.000 1.008 308 N HN 0.442 nan 8.380 nan 0.000 0.424 309 E N 0.700 120.897 120.200 -0.005 0.000 2.077 309 E HA -0.170 4.180 4.350 -0.001 0.000 0.193 309 E C 1.881 178.452 176.600 -0.048 0.000 0.989 309 E CA 0.846 57.239 56.400 -0.013 0.000 0.800 309 E CB -0.040 29.662 29.700 0.003 0.000 0.746 309 E HN 0.359 nan 8.360 nan 0.000 0.452 310 K N 0.431 120.770 120.400 -0.101 0.000 2.032 310 K HA -0.189 4.130 4.320 -0.001 0.000 0.209 310 K C 2.012 178.503 176.600 -0.182 0.000 1.048 310 K CA 1.234 57.442 56.287 -0.133 0.000 0.927 310 K CB -0.217 32.170 32.500 -0.188 0.000 0.712 310 K HN 0.021 nan 8.250 nan 0.000 0.441 311 F N 1.117 120.714 119.950 -0.588 0.000 2.171 311 F HA -0.118 4.409 4.527 -0.001 0.000 0.300 311 F C 1.994 177.700 175.800 -0.158 0.000 1.090 311 F CA 1.362 59.039 58.000 -0.539 0.000 1.293 311 F CB -0.426 38.008 39.000 -0.945 0.000 1.013 311 F HN 0.112 nan 8.300 nan 0.000 0.486 312 A N 0.320 123.097 122.820 -0.072 0.000 1.908 312 A HA -0.122 4.198 4.320 -0.001 0.000 0.218 312 A C 2.412 179.936 177.584 -0.099 0.000 1.181 312 A CA 1.910 53.905 52.037 -0.070 0.000 0.627 312 A CB -1.554 17.446 19.000 -0.000 0.000 0.818 312 A HN 0.474 nan 8.150 nan 0.000 0.445 313 A N -1.725 121.074 122.820 -0.035 0.000 1.930 313 A HA -0.079 4.241 4.320 -0.001 0.000 0.217 313 A C 2.129 179.726 177.584 0.022 0.000 1.175 313 A CA 1.618 53.680 52.037 0.042 0.000 0.627 313 A CB -0.766 18.312 19.000 0.129 0.000 0.815 313 A HN 0.726 nan 8.150 nan 0.000 0.443 314 Y N 0.720 120.909 120.300 -0.185 0.000 2.145 314 Y HA -0.103 4.446 4.550 -0.001 0.000 0.286 314 Y C 2.625 178.292 175.900 -0.388 0.000 1.145 314 Y CA 1.275 59.146 58.100 -0.382 0.000 1.148 314 Y CB -0.556 37.654 38.460 -0.416 0.000 0.981 314 Y HN 0.299 nan 8.280 nan 0.000 0.507 315 A N 0.287 122.834 122.820 -0.455 0.000 1.978 315 A HA -0.205 4.114 4.320 -0.001 0.000 0.220 315 A C 2.254 179.662 177.584 -0.293 0.000 1.170 315 A CA 1.919 53.701 52.037 -0.426 0.000 0.636 315 A CB -0.579 18.196 19.000 -0.375 0.000 0.810 315 A HN 0.526 nan 8.150 nan 0.000 0.448 316 K N -0.696 119.562 120.400 -0.236 0.000 2.025 316 K HA -0.033 4.286 4.320 -0.001 0.000 0.207 316 K C 2.233 178.675 176.600 -0.263 0.000 1.049 316 K CA 1.169 57.343 56.287 -0.189 0.000 0.933 316 K CB -0.231 32.197 32.500 -0.119 0.000 0.714 316 K HN 0.445 nan 8.250 nan 0.000 0.438 317 A N -0.153 122.449 122.820 -0.364 0.000 2.021 317 A HA -0.038 4.282 4.320 -0.001 0.000 0.216 317 A C 0.250 177.293 177.584 -0.903 0.000 1.163 317 A CA 0.848 52.542 52.037 -0.572 0.000 0.676 317 A CB 0.063 18.716 19.000 -0.578 0.000 0.818 317 A HN 0.288 nan 8.150 nan 0.000 0.453 318 Y N -0.877 119.088 120.300 -0.559 0.000 2.490 318 Y HA 0.267 4.816 4.550 -0.001 0.000 0.346 318 Y C -1.970 173.653 175.900 -0.461 0.000 1.023 318 Y CA -2.014 55.748 58.100 -0.563 0.000 1.142 318 Y CB 0.979 38.897 38.460 -0.904 0.000 1.126 318 Y HN 0.175 nan 8.280 nan 0.000 0.647 319 P HA -0.184 nan 4.420 nan 0.000 0.216 319 P C 0.938 178.216 177.300 -0.038 0.000 1.153 319 P CA 1.616 64.640 63.100 -0.128 0.000 0.848 319 P CB 0.563 32.202 31.700 -0.102 0.000 0.787 320 Q N -0.014 119.778 119.800 -0.012 0.000 2.079 320 Q HA -0.178 4.162 4.340 -0.001 0.000 0.200 320 Q C 2.204 178.275 176.000 0.118 0.000 0.974 320 Q CA 1.471 57.302 55.803 0.047 0.000 0.840 320 Q CB -0.458 28.301 28.738 0.036 0.000 0.898 320 Q HN 0.293 nan 8.270 nan 0.000 0.430 321 E N 1.004 121.274 120.200 0.116 0.000 2.077 321 E HA -0.170 4.179 4.350 -0.001 0.000 0.193 321 E C 1.871 178.759 176.600 0.479 0.000 0.989 321 E CA 1.289 57.855 56.400 0.276 0.000 0.800 321 E CB -0.326 29.477 29.700 0.171 0.000 0.746 321 E HN 0.390 nan 8.360 nan 0.000 0.452 322 A N 1.071 124.038 122.820 0.245 0.000 1.902 322 A HA -0.123 4.197 4.320 -0.001 0.000 0.217 322 A C 2.381 180.230 177.584 0.441 0.000 1.181 322 A CA 1.953 54.192 52.037 0.337 0.000 0.623 322 A CB -0.914 18.016 19.000 -0.117 0.000 0.818 322 A HN 0.291 nan 8.150 nan 0.000 0.443 323 A N -0.650 122.332 122.820 0.269 0.000 1.902 323 A HA -0.146 4.173 4.320 -0.001 0.000 0.217 323 A C 1.976 179.710 177.584 0.250 0.000 1.181 323 A CA 1.675 53.850 52.037 0.231 0.000 0.623 323 A CB -0.416 18.668 19.000 0.139 0.000 0.818 323 A HN 0.457 nan 8.150 nan 0.000 0.443 324 E N -1.012 119.370 120.200 0.302 0.000 2.077 324 E HA -0.166 4.184 4.350 -0.001 0.000 0.193 324 E C 1.739 178.524 176.600 0.307 0.000 0.989 324 E CA 1.029 57.620 56.400 0.319 0.000 0.800 324 E CB -0.427 29.512 29.700 0.399 0.000 0.746 324 E HN 0.692 nan 8.360 nan 0.000 0.452 325 F N 1.832 121.888 119.950 0.175 0.000 2.102 325 F HA -0.207 4.320 4.527 -0.001 0.000 0.298 325 F C 2.381 178.126 175.800 -0.093 0.000 1.105 325 F CA 1.811 59.647 58.000 -0.275 0.000 1.239 325 F CB -0.385 38.456 39.000 -0.264 0.000 0.991 325 F HN -0.068 nan 8.300 nan 0.000 0.474 326 T N 0.714 115.403 114.554 0.226 0.000 2.708 326 T HA -0.223 4.127 4.350 -0.001 0.000 0.266 326 T C 2.093 176.765 174.700 -0.046 0.000 1.037 326 T CA 1.601 63.748 62.100 0.078 0.000 1.146 326 T CB -0.397 68.605 68.868 0.222 0.000 0.865 326 T HN 0.259 nan 8.240 nan 0.000 0.435 327 R N 0.923 121.428 120.500 0.008 0.000 2.083 327 R HA -0.079 4.261 4.340 -0.001 0.000 0.237 327 R C 2.545 178.786 176.300 -0.099 0.000 1.137 327 R CA 1.494 57.579 56.100 -0.025 0.000 0.951 327 R CB -0.084 30.224 30.300 0.013 0.000 0.851 327 R HN 0.311 nan 8.270 nan 0.000 0.434 328 R N -0.597 119.815 120.500 -0.146 0.000 2.090 328 R HA -0.002 4.337 4.340 -0.001 0.000 0.228 328 R C 2.346 178.467 176.300 -0.299 0.000 1.110 328 R CA 1.261 57.236 56.100 -0.209 0.000 0.973 328 R CB -0.109 30.065 30.300 -0.209 0.000 0.869 328 R HN 0.232 nan 8.270 nan 0.000 0.440 329 M N 0.755 120.090 119.600 -0.441 0.000 2.213 329 M HA -0.127 4.353 4.480 -0.001 0.000 0.263 329 M C 1.598 177.754 176.300 -0.240 0.000 1.062 329 M CA 1.598 56.639 55.300 -0.431 0.000 1.105 329 M CB -0.446 31.785 32.600 -0.615 0.000 1.385 329 M HN 0.030 nan 8.290 nan 0.000 0.417 330 K N -0.573 119.721 120.400 -0.178 0.000 2.432 330 K HA 0.124 4.444 4.320 -0.001 0.000 0.196 330 K C 1.064 177.612 176.600 -0.086 0.000 1.038 330 K CA 0.615 56.839 56.287 -0.106 0.000 0.986 330 K CB -0.013 32.444 32.500 -0.071 0.000 0.782 330 K HN 0.537 nan 8.250 nan 0.000 0.485 331 G N 2.355 111.094 108.800 -0.102 0.000 2.153 331 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.252 331 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.252 331 G C -0.369 174.483 174.900 -0.079 0.000 0.994 331 G CA 0.211 45.263 45.100 -0.079 0.000 0.698 331 G HN 0.393 nan 8.290 nan 0.000 0.521 332 E N -0.093 120.061 120.200 -0.078 0.000 2.373 332 E HA 0.462 4.812 4.350 -0.001 0.000 0.263 332 E C 0.854 177.396 176.600 -0.097 0.000 1.073 332 E CA -0.318 56.040 56.400 -0.071 0.000 0.894 332 E CB 0.452 30.124 29.700 -0.047 0.000 1.008 332 E HN 0.165 nan 8.360 nan 0.000 0.420 333 M N 2.005 121.542 119.600 -0.104 0.000 2.342 333 M HA 0.317 4.797 4.480 -0.001 0.000 0.332 333 M C -2.188 174.060 176.300 -0.087 0.000 1.166 333 M CA -2.700 52.507 55.300 -0.155 0.000 1.086 333 M CB -0.093 32.396 32.600 -0.185 0.000 1.541 333 M HN 0.164 nan 8.290 nan 0.000 0.462 334 P HA 0.065 nan 4.420 nan 0.000 0.266 334 P C 0.556 177.873 177.300 0.028 0.000 1.195 334 P CA 0.081 63.172 63.100 -0.014 0.000 0.768 334 P CB 0.298 32.000 31.700 0.003 0.000 0.838 335 S N 1.158 116.871 115.700 0.022 0.000 2.400 335 S HA -0.201 4.268 4.470 -0.001 0.000 0.232 335 S C 1.138 175.754 174.600 0.027 0.000 1.025 335 S CA 1.515 59.728 58.200 0.022 0.000 0.993 335 S CB -0.787 62.422 63.200 0.015 0.000 0.808 335 S HN 0.600 nan 8.310 nan 0.000 0.478 336 D N -0.286 120.131 120.400 0.029 0.000 2.340 336 D HA 0.085 4.724 4.640 -0.001 0.000 0.217 336 D C 1.158 177.452 176.300 -0.010 0.000 1.081 336 D CA -0.445 53.558 54.000 0.005 0.000 0.842 336 D CB -0.690 40.107 40.800 -0.005 0.000 0.934 336 D HN 0.417 nan 8.370 nan 0.000 0.511 337 F N 1.830 121.712 119.950 -0.113 0.000 2.113 337 F HA -0.114 4.412 4.527 -0.001 0.000 0.297 337 F C 1.776 177.477 175.800 -0.165 0.000 1.103 337 F CA 1.663 59.557 58.000 -0.177 0.000 1.248 337 F CB -0.177 38.684 39.000 -0.232 0.000 0.999 337 F HN -0.072 nan 8.300 nan 0.000 0.475 338 D N 0.178 120.535 120.400 -0.072 0.000 2.116 338 D HA -0.241 4.398 4.640 -0.001 0.000 0.193 338 D C 2.207 178.388 176.300 -0.198 0.000 0.998 338 D CA 1.798 55.722 54.000 -0.127 0.000 0.836 338 D CB -0.395 40.397 40.800 -0.014 0.000 0.951 338 D HN 0.316 nan 8.370 nan 0.000 0.449 339 A N 0.188 122.925 122.820 -0.138 0.000 1.877 339 A HA -0.176 4.143 4.320 -0.001 0.000 0.216 339 A C 2.169 179.668 177.584 -0.143 0.000 1.186 339 A CA 1.627 53.600 52.037 -0.108 0.000 0.620 339 A CB -0.491 18.470 19.000 -0.065 0.000 0.822 339 A HN 0.222 nan 8.150 nan 0.000 0.443 340 K N -0.419 119.855 120.400 -0.210 0.000 2.057 340 K HA -0.025 4.295 4.320 -0.001 0.000 0.206 340 K C 2.303 178.757 176.600 -0.243 0.000 1.050 340 K CA 1.046 57.209 56.287 -0.206 0.000 0.935 340 K CB -0.290 32.078 32.500 -0.220 0.000 0.715 340 K HN 0.439 nan 8.250 nan 0.000 0.439 341 A N 1.837 124.349 122.820 -0.513 0.000 1.930 341 A HA -0.169 4.151 4.320 -0.001 0.000 0.217 341 A C 1.885 179.444 177.584 -0.041 0.000 1.175 341 A CA 1.393 53.204 52.037 -0.377 0.000 0.627 341 A CB -0.234 18.240 19.000 -0.875 0.000 0.815 341 A HN 0.170 nan 8.150 nan 0.000 0.443 342 K N -0.538 119.803 120.400 -0.099 0.000 2.097 342 K HA -0.179 4.140 4.320 -0.001 0.000 0.206 342 K C 2.104 178.702 176.600 -0.003 0.000 1.049 342 K CA 1.467 57.736 56.287 -0.030 0.000 0.933 342 K CB -0.119 32.353 32.500 -0.046 0.000 0.717 342 K HN 0.715 nan 8.250 nan 0.000 0.442 343 E N 0.394 120.592 120.200 -0.003 0.000 2.077 343 E HA -0.226 4.124 4.350 -0.001 0.000 0.193 343 E C 1.860 178.503 176.600 0.071 0.000 0.989 343 E CA 1.054 57.466 56.400 0.021 0.000 0.800 343 E CB -0.116 29.592 29.700 0.014 0.000 0.746 343 E HN 0.224 nan 8.360 nan 0.000 0.452 344 F N 1.370 121.296 119.950 -0.040 0.000 2.069 344 F HA -0.176 4.351 4.527 -0.001 0.000 0.298 344 F C 1.968 177.763 175.800 -0.009 0.000 1.113 344 F CA 1.588 59.580 58.000 -0.014 0.000 1.214 344 F CB -0.338 38.676 39.000 0.024 0.000 0.978 344 F HN 0.016 nan 8.300 nan 0.000 0.474 345 I N 0.270 120.798 120.570 -0.070 0.000 2.163 345 I HA -0.337 3.833 4.170 -0.001 0.000 0.243 345 I C 2.695 178.715 176.117 -0.162 0.000 1.085 345 I CA 1.358 62.561 61.300 -0.163 0.000 1.347 345 I CB -0.981 37.009 38.000 -0.018 0.000 1.044 345 I HN 0.252 nan 8.210 nan 0.000 0.408 346 A N 0.569 123.334 122.820 -0.092 0.000 1.902 346 A HA -0.277 4.043 4.320 -0.001 0.000 0.217 346 A C 2.377 179.904 177.584 -0.095 0.000 1.181 346 A CA 2.032 54.024 52.037 -0.075 0.000 0.623 346 A CB -0.563 18.412 19.000 -0.042 0.000 0.818 346 A HN 0.374 nan 8.150 nan 0.000 0.443 347 K N -0.218 120.114 120.400 -0.112 0.000 2.063 347 K HA -0.096 4.223 4.320 -0.001 0.000 0.208 347 K C 1.879 178.381 176.600 -0.163 0.000 1.048 347 K CA 1.473 57.693 56.287 -0.111 0.000 0.928 347 K CB -0.338 32.115 32.500 -0.078 0.000 0.713 347 K HN 0.488 nan 8.250 nan 0.000 0.442 348 L N 0.587 121.640 121.223 -0.284 0.000 2.046 348 L HA -0.213 4.127 4.340 -0.001 0.000 0.208 348 L C 2.767 179.545 176.870 -0.152 0.000 1.077 348 L CA 1.353 56.031 54.840 -0.269 0.000 0.747 348 L CB -0.541 41.280 42.059 -0.397 0.000 0.896 348 L HN 0.324 nan 8.230 nan 0.000 0.432 349 Q N 0.365 120.088 119.800 -0.128 0.000 2.124 349 Q HA -0.146 4.193 4.340 -0.001 0.000 0.202 349 Q C 2.035 177.999 176.000 -0.059 0.000 0.977 349 Q CA 1.921 57.678 55.803 -0.078 0.000 0.850 349 Q CB -0.176 28.524 28.738 -0.063 0.000 0.901 349 Q HN 0.448 nan 8.270 nan 0.000 0.429 350 A N -0.409 122.374 122.820 -0.062 0.000 2.169 350 A HA 0.061 4.380 4.320 -0.001 0.000 0.212 350 A C 0.328 177.888 177.584 -0.040 0.000 1.153 350 A CA 0.422 52.433 52.037 -0.043 0.000 0.756 350 A CB 0.108 19.086 19.000 -0.038 0.000 0.813 350 A HN 0.329 nan 8.150 nan 0.000 0.471 351 N N 1.039 119.708 118.700 -0.053 0.000 2.790 351 N HA 0.250 4.990 4.740 -0.001 0.000 0.256 351 N C -3.237 172.245 175.510 -0.047 0.000 1.409 351 N CA -0.952 52.072 53.050 -0.044 0.000 0.799 351 N CB 1.162 39.623 38.487 -0.043 0.000 1.170 351 N HN 0.069 nan 8.380 nan 0.000 0.507 352 P HA 0.121 nan 4.420 nan 0.000 0.266 352 P C -0.903 176.381 177.300 -0.028 0.000 1.195 352 P CA -0.005 63.075 63.100 -0.033 0.000 0.768 352 P CB 0.781 32.466 31.700 -0.024 0.000 0.838 353 A N 2.469 125.272 122.820 -0.028 0.000 2.437 353 A HA 0.444 4.764 4.320 -0.001 0.000 0.293 353 A C -0.589 176.986 177.584 -0.015 0.000 1.038 353 A CA -0.739 51.288 52.037 -0.018 0.000 0.708 353 A CB 1.019 20.009 19.000 -0.016 0.000 1.251 353 A HN 0.432 nan 8.150 nan 0.000 0.409 354 K N 3.689 124.083 120.400 -0.011 0.000 2.206 354 K HA 0.551 4.870 4.320 -0.001 0.000 0.268 354 K C -0.555 176.043 176.600 -0.005 0.000 1.111 354 K CA -0.120 56.161 56.287 -0.011 0.000 0.955 354 K CB -0.272 32.219 32.500 -0.014 0.000 1.406 354 K HN 0.717 nan 8.250 nan 0.000 0.427 355 I N -0.476 120.093 120.570 -0.001 0.000 3.042 355 I HA 0.630 4.800 4.170 -0.001 0.000 0.310 355 I C -0.453 175.669 176.117 0.009 0.000 1.117 355 I CA -1.523 59.781 61.300 0.007 0.000 1.003 355 I CB 1.874 39.882 38.000 0.013 0.000 1.228 355 I HN 0.328 nan 8.210 nan 0.000 0.443 356 A N 1.989 124.817 122.820 0.013 0.000 2.462 356 A HA 0.328 4.648 4.320 -0.001 0.000 0.243 356 A C 1.288 178.890 177.584 0.031 0.000 1.076 356 A CA 0.252 52.297 52.037 0.012 0.000 0.773 356 A CB 0.227 19.229 19.000 0.004 0.000 1.010 356 A HN 1.014 nan 8.150 nan 0.000 0.493 357 S N 1.903 117.625 115.700 0.036 0.000 2.447 357 S HA -0.230 4.240 4.470 -0.001 0.000 0.233 357 S C 1.696 176.350 174.600 0.091 0.000 1.006 357 S CA 1.084 59.323 58.200 0.064 0.000 0.957 357 S CB -0.475 62.767 63.200 0.070 0.000 0.773 357 S HN 0.890 nan 8.310 nan 0.000 0.507 358 R N 1.490 122.042 120.500 0.087 0.000 2.096 358 R HA 0.037 4.376 4.340 -0.001 0.000 0.235 358 R C 2.149 178.516 176.300 0.111 0.000 1.127 358 R CA 1.479 57.654 56.100 0.125 0.000 0.968 358 R CB -0.448 29.941 30.300 0.148 0.000 0.861 358 R HN 0.344 nan 8.270 nan 0.000 0.440 359 K N 1.283 121.732 120.400 0.080 0.000 2.057 359 K HA 0.053 4.373 4.320 -0.001 0.000 0.206 359 K C 2.135 178.769 176.600 0.056 0.000 1.050 359 K CA 1.562 57.889 56.287 0.065 0.000 0.935 359 K CB -0.464 32.066 32.500 0.050 0.000 0.715 359 K HN 0.283 nan 8.250 nan 0.000 0.439 360 A N -0.057 122.800 122.820 0.062 0.000 1.940 360 A HA -0.194 4.125 4.320 -0.001 0.000 0.219 360 A C 2.314 179.940 177.584 0.071 0.000 1.176 360 A CA 2.309 54.385 52.037 0.064 0.000 0.631 360 A CB -1.107 17.933 19.000 0.067 0.000 0.814 360 A HN 0.447 nan 8.150 nan 0.000 0.446 361 S N -1.031 114.741 115.700 0.120 0.000 2.355 361 S HA -0.250 4.219 4.470 -0.001 0.000 0.222 361 S C 2.234 176.793 174.600 -0.069 0.000 1.031 361 S CA 1.686 60.002 58.200 0.193 0.000 0.993 361 S CB -0.394 63.005 63.200 0.332 0.000 0.859 361 S HN 0.688 nan 8.310 nan 0.000 0.453 362 Q N 0.476 120.266 119.800 -0.016 0.000 2.096 362 Q HA -0.174 4.166 4.340 -0.001 0.000 0.204 362 Q C 1.752 177.663 176.000 -0.149 0.000 0.982 362 Q CA 1.869 57.632 55.803 -0.067 0.000 0.850 362 Q CB -0.250 28.504 28.738 0.027 0.000 0.901 362 Q HN 0.525 nan 8.270 nan 0.000 0.422 363 N N 0.249 118.896 118.700 -0.088 0.000 2.166 363 N HA -0.144 4.595 4.740 -0.001 0.000 0.186 363 N C 1.484 176.835 175.510 -0.265 0.000 1.019 363 N CA 1.374 54.386 53.050 -0.064 0.000 0.856 363 N CB -0.438 38.102 38.487 0.089 0.000 0.993 363 N HN 0.360 nan 8.380 nan 0.000 0.426 364 A N 0.972 123.532 122.820 -0.433 0.000 1.930 364 A HA 0.001 4.320 4.320 -0.001 0.000 0.217 364 A C 2.296 179.046 177.584 -1.390 0.000 1.175 364 A CA 0.682 52.117 52.037 -1.003 0.000 0.627 364 A CB -0.556 17.835 19.000 -1.015 0.000 0.815 364 A HN 0.200 nan 8.150 nan 0.000 0.443 365 I N -0.514 119.344 120.570 -1.185 0.000 2.208 365 I HA -0.264 3.906 4.170 -0.001 0.000 0.245 365 I C 2.530 178.183 176.117 -0.774 0.000 1.097 365 I CA 1.876 62.556 61.300 -1.033 0.000 1.363 365 I CB -0.310 37.190 38.000 -0.834 0.000 1.051 365 I HN 0.424 nan 8.210 nan 0.000 0.413 366 E N 1.446 121.352 120.200 -0.490 0.000 2.077 366 E HA -0.206 4.144 4.350 -0.001 0.000 0.193 366 E C 2.105 178.475 176.600 -0.383 0.000 0.989 366 E CA 1.701 57.953 56.400 -0.246 0.000 0.800 366 E CB -0.126 29.556 29.700 -0.030 0.000 0.746 366 E HN 0.430 nan 8.360 nan 0.000 0.452 367 A N -0.357 122.119 122.820 -0.573 0.000 1.929 367 A HA -0.060 4.259 4.320 -0.001 0.000 0.216 367 A C 1.836 179.264 177.584 -0.260 0.000 1.176 367 A CA 1.146 52.822 52.037 -0.602 0.000 0.628 367 A CB -0.579 17.531 19.000 -1.483 0.000 0.816 367 A HN 0.343 nan 8.150 nan 0.000 0.444 368 F N 0.218 119.855 119.950 -0.522 0.000 2.416 368 F HA 0.130 4.656 4.527 -0.001 0.000 0.296 368 F C 2.548 178.096 175.800 -0.420 0.000 1.099 368 F CA -0.056 57.761 58.000 -0.304 0.000 1.427 368 F CB -1.484 37.423 39.000 -0.154 0.000 1.079 368 F HN 0.257 nan 8.300 nan 0.000 0.536 369 G N 1.795 110.267 108.800 -0.546 0.000 2.529 369 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.219 369 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.219 369 G C -0.622 174.005 174.900 -0.455 0.000 1.177 369 G CA 0.811 45.262 45.100 -1.082 0.000 0.773 369 G HN 0.229 nan 8.290 nan 0.000 0.573 370 P HA 0.036 nan 4.420 nan 0.000 0.225 370 P C 1.678 178.986 177.300 0.013 0.000 1.148 370 P CA 0.697 63.839 63.100 0.069 0.000 0.779 370 P CB -0.035 31.721 31.700 0.094 0.000 0.780 371 L N -2.354 118.836 121.223 -0.056 0.000 2.416 371 L HA 0.120 4.460 4.340 -0.001 0.000 0.216 371 L C 1.026 177.820 176.870 -0.127 0.000 1.098 371 L CA 0.410 55.231 54.840 -0.030 0.000 0.840 371 L CB -0.176 41.925 42.059 0.070 0.000 0.981 371 L HN -0.104 nan 8.230 nan 0.000 0.462 372 L N 2.069 123.127 121.223 -0.275 0.000 2.581 372 L HA 0.252 4.592 4.340 -0.001 0.000 0.241 372 L C -1.497 175.230 176.870 -0.238 0.000 1.265 372 L CA -1.156 53.414 54.840 -0.451 0.000 0.954 372 L CB 0.903 42.341 42.059 -1.034 0.000 1.269 372 L HN -0.147 nan 8.230 nan 0.000 0.475 373 P HA -0.195 nan 4.420 nan 0.000 0.225 373 P C 1.031 178.424 177.300 0.155 0.000 1.148 373 P CA 1.052 64.213 63.100 0.102 0.000 0.779 373 P CB 0.219 31.968 31.700 0.083 0.000 0.780 374 E N -0.872 119.370 120.200 0.070 0.000 2.418 374 E HA -0.119 4.231 4.350 -0.001 0.000 0.197 374 E C 0.369 177.199 176.600 0.384 0.000 1.026 374 E CA 0.048 56.534 56.400 0.143 0.000 0.862 374 E CB -0.785 28.917 29.700 0.005 0.000 0.799 374 E HN 0.113 nan 8.360 nan 0.000 0.518 375 F N 1.624 121.724 119.950 0.251 0.000 2.623 375 F HA 0.025 4.552 4.527 -0.001 0.000 0.386 375 F C 0.593 176.545 175.800 0.254 0.000 1.068 375 F CA -0.242 57.930 58.000 0.287 0.000 1.265 375 F CB 0.280 39.482 39.000 0.337 0.000 1.026 375 F HN 0.002 nan 8.300 nan 0.000 0.568 376 L N 4.728 126.134 121.223 0.305 0.000 2.454 376 L HA 0.593 4.933 4.340 -0.001 0.000 0.258 376 L C -0.156 176.521 176.870 -0.321 0.000 1.025 376 L CA -0.084 54.731 54.840 -0.040 0.000 0.901 376 L CB 0.796 42.703 42.059 -0.253 0.000 1.210 376 L HN 0.531 nan 8.230 nan 0.000 0.457 377 G N 1.221 109.640 108.800 -0.636 0.000 2.509 377 G HA2 0.827 4.787 3.960 -0.001 0.000 0.328 377 G HA3 0.827 4.787 3.960 -0.001 0.000 0.328 377 G C -0.561 173.701 174.900 -1.063 0.000 1.194 377 G CA -0.210 44.002 45.100 -1.480 0.000 0.967 377 G HN 0.909 nan 8.290 nan 0.000 0.488 378 G N -1.705 106.622 108.800 -0.787 0.000 2.495 378 G HA2 0.581 4.540 3.960 -0.001 0.000 0.294 378 G HA3 0.581 4.540 3.960 -0.001 0.000 0.294 378 G C -1.455 173.421 174.900 -0.040 0.000 1.397 378 G CA 0.305 45.000 45.100 -0.673 0.000 0.790 378 G HN 1.251 nan 8.290 nan 0.000 0.486 379 S N -1.514 114.236 115.700 0.084 0.000 2.546 379 S HA 0.672 5.142 4.470 -0.001 0.000 0.274 379 S C 0.004 174.709 174.600 0.175 0.000 1.121 379 S CA 0.359 58.662 58.200 0.171 0.000 0.887 379 S CB 1.534 64.869 63.200 0.224 0.000 1.094 379 S HN 1.968 nan 8.310 nan 0.000 0.474 380 A N 3.235 126.098 122.820 0.072 0.000 3.037 380 A HA 0.440 4.760 4.320 -0.001 0.000 0.272 380 A C 0.530 178.109 177.584 -0.009 0.000 1.723 380 A CA 0.408 52.465 52.037 0.034 0.000 1.413 380 A CB -1.477 17.492 19.000 -0.051 0.000 1.112 380 A HN 1.182 nan 8.150 nan 0.000 0.606 381 D N -0.364 120.073 120.400 0.062 0.000 2.870 381 D HA -0.168 4.472 4.640 -0.001 0.000 0.228 381 D C -0.055 176.237 176.300 -0.013 0.000 1.147 381 D CA 1.393 55.416 54.000 0.039 0.000 0.757 381 D CB -1.468 39.324 40.800 -0.015 0.000 1.091 381 D HN 0.512 nan 8.370 nan 0.000 0.429 382 L N -1.188 120.033 121.223 -0.003 0.000 3.347 382 L HA 0.545 4.884 4.340 -0.001 0.000 0.306 382 L C 2.052 178.968 176.870 0.077 0.000 1.301 382 L CA 0.162 54.971 54.840 -0.051 0.000 0.985 382 L CB 0.104 41.985 42.059 -0.297 0.000 1.400 382 L HN 0.153 nan 8.230 nan 0.000 0.601 383 A N 1.650 124.564 122.820 0.156 0.000 1.903 383 A HA -0.111 4.208 4.320 -0.001 0.000 0.219 383 A C -0.317 177.354 177.584 0.143 0.000 1.191 383 A CA 1.937 54.090 52.037 0.193 0.000 0.638 383 A CB -1.380 17.742 19.000 0.204 0.000 0.823 383 A HN 0.339 nan 8.150 nan 0.000 0.451 384 P HA 0.051 nan 4.420 nan 0.000 0.241 384 P C 1.127 178.522 177.300 0.157 0.000 1.191 384 P CA 1.433 64.602 63.100 0.115 0.000 0.771 384 P CB 0.447 32.202 31.700 0.092 0.000 0.929 385 S N -0.473 115.340 115.700 0.188 0.000 2.566 385 S HA 0.112 4.581 4.470 -0.001 0.000 0.234 385 S C 1.661 176.486 174.600 0.376 0.000 1.075 385 S CA 0.209 58.590 58.200 0.303 0.000 0.926 385 S CB -0.676 62.718 63.200 0.324 0.000 0.811 385 S HN 0.075 nan 8.310 nan 0.000 0.518 386 N N 1.291 120.153 118.700 0.271 0.000 2.396 386 N HA 0.193 4.933 4.740 -0.001 0.000 0.180 386 N C -0.290 175.368 175.510 0.248 0.000 1.028 386 N CA 0.693 53.913 53.050 0.284 0.000 0.893 386 N CB -0.152 38.466 38.487 0.219 0.000 0.967 386 N HN 0.277 nan 8.380 nan 0.000 0.440 387 L N 0.557 121.907 121.223 0.212 0.000 3.533 387 L HA -0.194 4.145 4.340 -0.001 0.000 0.477 387 L C 0.584 177.560 176.870 0.177 0.000 1.306 387 L CA 0.072 55.014 54.840 0.170 0.000 0.850 387 L CB -2.341 39.806 42.059 0.146 0.000 1.654 387 L HN 0.364 nan 8.230 nan 0.000 0.863 388 T N -4.020 110.679 114.554 0.241 0.000 3.065 388 T HA 0.341 4.691 4.350 -0.001 0.000 0.252 388 T C 0.687 175.622 174.700 0.392 0.000 1.099 388 T CA -0.139 62.187 62.100 0.376 0.000 1.063 388 T CB 0.273 69.486 68.868 0.575 0.000 0.948 388 T HN 0.314 nan 8.240 nan 0.000 0.506 389 L N 3.190 124.507 121.223 0.156 0.000 2.326 389 L HA 0.487 4.827 4.340 -0.001 0.000 0.278 389 L C 0.240 177.202 176.870 0.154 0.000 1.092 389 L CA -1.197 53.643 54.840 0.000 0.000 0.810 389 L CB 0.625 42.562 42.059 -0.204 0.000 1.153 389 L HN 0.448 nan 8.230 nan 0.000 0.439 390 W N 1.218 122.488 121.300 -0.049 0.000 2.869 390 W HA 0.392 5.052 4.660 -0.001 0.000 0.345 390 W C 0.935 177.432 176.519 -0.037 0.000 1.191 390 W CA -0.628 56.692 57.345 -0.041 0.000 1.104 390 W CB 0.565 30.005 29.460 -0.034 0.000 1.471 390 W HN 0.628 nan 8.180 nan 0.000 0.612 391 S N -0.041 115.623 115.700 -0.060 0.000 2.419 391 S HA -0.082 4.388 4.470 -0.001 0.000 0.235 391 S C 1.601 175.817 174.600 -0.640 0.000 1.019 391 S CA 1.514 59.563 58.200 -0.252 0.000 0.982 391 S CB -0.971 62.196 63.200 -0.056 0.000 0.789 391 S HN 0.809 nan 8.310 nan 0.000 0.490 392 G N 0.622 108.494 108.800 -1.547 0.000 3.189 392 G HA2 0.326 4.285 3.960 -0.001 0.000 0.225 392 G HA3 0.326 4.285 3.960 -0.001 0.000 0.225 392 G C 0.089 174.216 174.900 -1.288 0.000 1.159 392 G CA -0.386 43.751 45.100 -1.605 0.000 0.763 392 G HN 0.457 nan 8.290 nan 0.000 0.549 393 S N 0.263 115.226 115.700 -1.227 0.000 2.549 393 S HA 0.405 4.875 4.470 -0.001 0.000 0.286 393 S C 0.061 174.469 174.600 -0.319 0.000 1.314 393 S CA 0.264 58.140 58.200 -0.539 0.000 1.062 393 S CB 1.377 64.306 63.200 -0.452 0.000 0.865 393 S HN 0.288 nan 8.310 nan 0.000 0.498 394 K N 1.884 122.205 120.400 -0.132 0.000 2.601 394 K HA 0.548 4.867 4.320 -0.001 0.000 0.249 394 K C -0.725 175.875 176.600 0.000 0.000 0.966 394 K CA -0.400 55.837 56.287 -0.083 0.000 0.827 394 K CB 1.246 33.706 32.500 -0.068 0.000 1.178 394 K HN 0.594 nan 8.250 nan 0.000 0.437 395 A N 4.907 127.733 122.820 0.010 0.000 2.488 395 A HA 0.228 4.548 4.320 -0.001 0.000 0.249 395 A C 1.315 178.911 177.584 0.020 0.000 1.083 395 A CA -0.096 51.981 52.037 0.067 0.000 0.768 395 A CB -0.578 18.526 19.000 0.173 0.000 1.017 395 A HN 0.966 nan 8.150 nan 0.000 0.496 396 I N 1.091 121.643 120.570 -0.031 0.000 2.916 396 I HA -0.157 4.013 4.170 -0.001 0.000 0.267 396 I C 1.618 177.702 176.117 -0.053 0.000 1.263 396 I CA 1.485 62.747 61.300 -0.064 0.000 1.471 396 I CB -0.431 37.492 38.000 -0.128 0.000 1.089 396 I HN 0.740 nan 8.210 nan 0.000 0.468 397 N N 1.551 120.237 118.700 -0.024 0.000 2.457 397 N HA -0.165 4.574 4.740 -0.001 0.000 0.180 397 N C 1.289 176.791 175.510 -0.012 0.000 1.050 397 N CA 1.030 54.068 53.050 -0.020 0.000 0.906 397 N CB -0.187 38.301 38.487 0.001 0.000 0.968 397 N HN 0.636 nan 8.380 nan 0.000 0.445 398 E N -0.274 119.927 120.200 0.001 0.000 2.127 398 E HA 0.039 4.388 4.350 -0.001 0.000 0.191 398 E C -0.373 176.216 176.600 -0.017 0.000 0.964 398 E CA 0.395 56.791 56.400 -0.006 0.000 0.832 398 E CB 0.345 30.047 29.700 0.003 0.000 0.790 398 E HN 0.187 nan 8.360 nan 0.000 0.465 399 D N -1.017 119.372 120.400 -0.019 0.000 2.686 399 D HA 0.251 4.891 4.640 -0.001 0.000 0.249 399 D C -0.005 176.280 176.300 -0.025 0.000 1.260 399 D CA -0.274 53.713 54.000 -0.022 0.000 0.910 399 D CB 1.713 42.501 40.800 -0.021 0.000 1.323 399 D HN 0.012 nan 8.370 nan 0.000 0.561 400 A N 3.038 125.840 122.820 -0.030 0.000 2.070 400 A HA 0.044 4.363 4.320 -0.001 0.000 0.220 400 A C 1.710 179.286 177.584 -0.014 0.000 1.159 400 A CA 1.694 53.709 52.037 -0.036 0.000 0.656 400 A CB -0.128 18.847 19.000 -0.042 0.000 0.800 400 A HN 0.559 nan 8.150 nan 0.000 0.453 401 A N -0.438 122.382 122.820 -0.001 0.000 2.278 401 A HA 0.487 4.806 4.320 -0.001 0.000 0.212 401 A C 1.371 178.977 177.584 0.037 0.000 1.213 401 A CA 0.595 52.645 52.037 0.022 0.000 0.840 401 A CB -0.850 18.151 19.000 0.001 0.000 0.866 401 A HN 0.633 nan 8.150 nan 0.000 0.489 402 G N 0.372 109.183 108.800 0.019 0.000 2.583 402 G HA2 0.271 4.231 3.960 -0.001 0.000 0.275 402 G HA3 0.271 4.231 3.960 -0.001 0.000 0.275 402 G C 0.313 175.252 174.900 0.066 0.000 1.342 402 G CA 0.308 45.426 45.100 0.030 0.000 1.030 402 G HN 0.594 nan 8.290 nan 0.000 0.520 403 N N -3.060 115.691 118.700 0.086 0.000 2.142 403 N HA 0.123 4.863 4.740 -0.001 0.000 0.233 403 N C -0.904 174.660 175.510 0.090 0.000 1.335 403 N CA -0.497 52.639 53.050 0.143 0.000 0.837 403 N CB 0.176 38.841 38.487 0.297 0.000 1.238 403 N HN 0.466 nan 8.380 nan 0.000 0.501 404 Y N 0.607 120.828 120.300 -0.132 0.000 2.492 404 Y HA 0.656 5.205 4.550 -0.001 0.000 0.346 404 Y C -1.541 174.160 175.900 -0.332 0.000 0.997 404 Y CA -1.157 56.807 58.100 -0.228 0.000 1.025 404 Y CB 1.600 39.937 38.460 -0.204 0.000 1.263 404 Y HN -0.040 nan 8.280 nan 0.000 0.454 405 I N 5.735 125.696 120.570 -1.016 0.000 2.447 405 I HA 0.241 4.410 4.170 -0.001 0.000 0.287 405 I C -0.855 174.732 176.117 -0.884 0.000 1.023 405 I CA -0.863 59.915 61.300 -0.870 0.000 1.083 405 I CB 1.281 38.577 38.000 -1.174 0.000 1.245 405 I HN 0.574 nan 8.210 nan 0.000 0.434 406 H N 6.862 125.754 119.070 -0.297 0.000 3.089 406 H HA 0.080 4.635 4.556 -0.001 0.000 0.262 406 H C -0.050 175.164 175.328 -0.189 0.000 1.160 406 H CA 0.286 56.275 56.048 -0.098 0.000 1.482 406 H CB 0.440 30.209 29.762 0.012 0.000 1.511 406 H HN 0.563 nan 8.280 nan 0.000 0.483 407 Y N 1.892 122.173 120.300 -0.033 0.000 2.561 407 Y HA 0.004 4.553 4.550 -0.001 0.000 0.291 407 Y C 1.932 177.806 175.900 -0.044 0.000 1.141 407 Y CA 0.882 58.943 58.100 -0.066 0.000 1.303 407 Y CB 0.272 38.676 38.460 -0.094 0.000 1.015 407 Y HN 0.960 nan 8.280 nan 0.000 0.547 408 G N -0.140 108.734 108.800 0.124 0.000 2.752 408 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.234 408 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.234 408 G C -0.546 174.368 174.900 0.023 0.000 1.367 408 G CA -0.441 44.688 45.100 0.050 0.000 0.879 408 G HN 0.030 nan 8.290 nan 0.000 0.563 409 V N 1.426 121.328 119.914 -0.021 0.000 2.153 409 V HA 0.446 4.565 4.120 -0.001 0.000 0.250 409 V C 0.966 177.031 176.094 -0.048 0.000 1.334 409 V CA 0.816 63.074 62.300 -0.070 0.000 1.249 409 V CB -0.655 31.109 31.823 -0.099 0.000 1.371 409 V HN 0.571 nan 8.190 nan 0.000 0.498 410 R N 1.909 122.392 120.500 -0.029 0.000 2.684 410 R HA 0.259 4.598 4.340 -0.001 0.000 0.252 410 R C 0.252 176.556 176.300 0.007 0.000 1.628 410 R CA -0.339 55.765 56.100 0.007 0.000 1.622 410 R CB 0.861 31.161 30.300 -0.001 0.000 1.418 410 R HN 0.418 nan 8.270 nan 0.000 0.697 411 E N 0.521 120.738 120.200 0.027 0.000 2.077 411 E HA -0.167 4.182 4.350 -0.001 0.000 0.193 411 E C 1.149 177.835 176.600 0.143 0.000 0.989 411 E CA 1.224 57.649 56.400 0.042 0.000 0.800 411 E CB -0.033 29.696 29.700 0.048 0.000 0.746 411 E HN 0.291 nan 8.360 nan 0.000 0.452 412 F N 1.006 120.972 119.950 0.027 0.000 2.084 412 F HA 0.041 4.568 4.527 -0.001 0.000 0.296 412 F C 2.219 178.006 175.800 -0.022 0.000 1.111 412 F CA 1.575 59.589 58.000 0.022 0.000 1.224 412 F CB -1.007 38.021 39.000 0.048 0.000 0.991 412 F HN 0.059 nan 8.300 nan 0.000 0.471 413 G N 0.671 109.477 108.800 0.011 0.000 2.446 413 G HA2 -0.350 3.609 3.960 -0.001 0.000 0.217 413 G HA3 -0.350 3.609 3.960 -0.001 0.000 0.217 413 G C 1.817 176.653 174.900 -0.107 0.000 1.168 413 G CA 1.022 46.050 45.100 -0.120 0.000 0.771 413 G HN 0.466 nan 8.290 nan 0.000 0.551 414 M N 0.562 120.057 119.600 -0.176 0.000 2.080 414 M HA -0.119 4.360 4.480 -0.001 0.000 0.260 414 M C 2.471 178.530 176.300 -0.401 0.000 1.068 414 M CA 2.328 57.280 55.300 -0.580 0.000 1.109 414 M CB -0.413 31.663 32.600 -0.873 0.000 1.342 414 M HN 0.195 nan 8.290 nan 0.000 0.405 415 T N 0.769 115.230 114.554 -0.155 0.000 2.812 415 T HA 0.060 4.409 4.350 -0.001 0.000 0.264 415 T C 1.842 176.543 174.700 0.001 0.000 1.042 415 T CA 1.343 63.421 62.100 -0.038 0.000 1.140 415 T CB -0.426 68.503 68.868 0.101 0.000 0.870 415 T HN 0.598 nan 8.240 nan 0.000 0.445 416 A N 1.010 123.830 122.820 -0.001 0.000 1.968 416 A HA 0.081 4.400 4.320 -0.001 0.000 0.217 416 A C 2.254 179.822 177.584 -0.026 0.000 1.169 416 A CA 0.831 52.853 52.037 -0.024 0.000 0.638 416 A CB -0.720 18.202 19.000 -0.130 0.000 0.812 416 A HN 0.487 nan 8.150 nan 0.000 0.446 417 I N -0.132 120.417 120.570 -0.034 0.000 2.163 417 I HA -0.322 3.847 4.170 -0.001 0.000 0.243 417 I C 2.986 179.118 176.117 0.026 0.000 1.085 417 I CA 1.186 62.494 61.300 0.013 0.000 1.347 417 I CB -0.316 37.739 38.000 0.092 0.000 1.044 417 I HN 0.364 nan 8.210 nan 0.000 0.408 418 A N 0.824 123.649 122.820 0.008 0.000 1.940 418 A HA -0.238 4.082 4.320 -0.001 0.000 0.219 418 A C 2.009 179.617 177.584 0.040 0.000 1.176 418 A CA 2.017 54.068 52.037 0.023 0.000 0.631 418 A CB -0.709 18.283 19.000 -0.013 0.000 0.814 418 A HN 0.439 nan 8.150 nan 0.000 0.446 419 N N 0.286 119.009 118.700 0.038 0.000 2.104 419 N HA -0.121 4.619 4.740 -0.001 0.000 0.190 419 N C 1.839 177.385 175.510 0.060 0.000 1.024 419 N CA 1.518 54.601 53.050 0.054 0.000 0.853 419 N CB -0.918 37.601 38.487 0.053 0.000 1.008 419 N HN 0.478 nan 8.380 nan 0.000 0.424 420 G N 1.262 110.091 108.800 0.049 0.000 2.440 420 G HA2 -0.185 3.775 3.960 -0.001 0.000 0.218 420 G HA3 -0.185 3.775 3.960 -0.001 0.000 0.218 420 G C 1.662 176.618 174.900 0.093 0.000 1.154 420 G CA 0.509 45.646 45.100 0.062 0.000 0.767 420 G HN 0.283 nan 8.290 nan 0.000 0.552 421 I N 1.723 122.332 120.570 0.065 0.000 2.179 421 I HA -0.221 3.949 4.170 -0.001 0.000 0.242 421 I C 3.214 179.436 176.117 0.174 0.000 1.088 421 I CA 1.611 62.959 61.300 0.079 0.000 1.357 421 I CB -0.265 37.727 38.000 -0.014 0.000 1.051 421 I HN 0.349 nan 8.210 nan 0.000 0.409 422 S N 1.177 116.958 115.700 0.135 0.000 2.383 422 S HA -0.125 4.345 4.470 -0.001 0.000 0.227 422 S C 1.998 176.670 174.600 0.120 0.000 1.026 422 S CA 0.903 59.184 58.200 0.135 0.000 0.981 422 S CB -0.881 62.382 63.200 0.104 0.000 0.818 422 S HN 0.396 nan 8.310 nan 0.000 0.472 423 L N 0.913 122.202 121.223 0.111 0.000 2.141 423 L HA -0.096 4.244 4.340 -0.001 0.000 0.209 423 L C 3.043 179.964 176.870 0.085 0.000 1.094 423 L CA 1.626 56.518 54.840 0.085 0.000 0.763 423 L CB -0.727 41.378 42.059 0.076 0.000 0.908 423 L HN 0.502 nan 8.230 nan 0.000 0.437 424 H N 0.589 119.691 119.070 0.054 0.000 2.353 424 H HA -0.028 4.528 4.556 -0.001 0.000 0.300 424 H C 0.829 176.162 175.328 0.009 0.000 1.090 424 H CA 1.203 57.281 56.048 0.049 0.000 1.327 424 H CB 0.202 30.033 29.762 0.115 0.000 1.383 424 H HN 0.303 nan 8.280 nan 0.000 0.508 425 G N -2.141 106.743 108.800 0.140 0.000 2.692 425 G HA2 0.133 4.093 3.960 -0.001 0.000 0.686 425 G HA3 0.133 4.093 3.960 -0.001 0.000 0.686 425 G C 0.689 175.621 174.900 0.054 0.000 1.243 425 G CA 0.269 45.377 45.100 0.013 0.000 0.782 425 G HN 1.034 nan 8.290 nan 0.000 0.625 426 G N -1.069 107.631 108.800 -0.166 0.000 2.232 426 G HA2 0.084 4.043 3.960 -0.001 0.000 0.226 426 G HA3 0.084 4.043 3.960 -0.001 0.000 0.226 426 G C 0.278 174.779 174.900 -0.665 0.000 0.996 426 G CA 0.776 45.589 45.100 -0.478 0.000 0.626 426 G HN 1.695 nan 8.290 nan 0.000 0.509 427 F N -0.610 119.374 119.950 0.057 0.000 2.620 427 F HA 0.787 5.313 4.527 -0.001 0.000 0.320 427 F C 0.038 175.891 175.800 0.089 0.000 1.069 427 F CA -1.066 56.985 58.000 0.085 0.000 0.953 427 F CB 2.037 41.089 39.000 0.086 0.000 1.322 427 F HN 0.053 nan 8.300 nan 0.000 0.479 428 L N 4.903 126.349 121.223 0.371 0.000 2.366 428 L HA 0.521 4.861 4.340 -0.001 0.000 0.266 428 L C -2.692 174.416 176.870 0.397 0.000 1.010 428 L CA -1.927 53.105 54.840 0.321 0.000 0.879 428 L CB 1.567 43.791 42.059 0.275 0.000 1.228 428 L HN 0.245 nan 8.230 nan 0.000 0.439 429 P HA 0.208 nan 4.420 nan 0.000 0.279 429 P C -1.762 175.669 177.300 0.219 0.000 1.239 429 P CA 0.031 63.226 63.100 0.158 0.000 0.789 429 P CB 0.863 32.617 31.700 0.089 0.000 0.933 430 Y N -0.615 119.740 120.300 0.092 0.000 2.485 430 Y HA 0.800 5.350 4.550 -0.001 0.000 0.345 430 Y C -0.252 175.648 175.900 0.001 0.000 0.998 430 Y CA -1.025 57.094 58.100 0.032 0.000 1.059 430 Y CB 1.309 39.815 38.460 0.078 0.000 1.234 430 Y HN 0.481 nan 8.280 nan 0.000 0.461 431 T N -0.548 114.082 114.554 0.128 0.000 2.887 431 T HA 0.798 5.147 4.350 -0.001 0.000 0.292 431 T C -0.854 173.884 174.700 0.062 0.000 1.087 431 T CA -0.885 61.224 62.100 0.015 0.000 1.009 431 T CB 1.657 70.455 68.868 -0.117 0.000 1.203 431 T HN 0.918 nan 8.240 nan 0.000 0.518 432 S N -0.462 115.283 115.700 0.075 0.000 2.542 432 S HA 0.725 5.194 4.470 -0.001 0.000 0.276 432 S C -1.174 173.519 174.600 0.155 0.000 1.148 432 S CA -0.321 57.965 58.200 0.143 0.000 0.886 432 S CB 1.738 65.058 63.200 0.200 0.000 1.109 432 S HN 1.265 nan 8.310 nan 0.000 0.458 433 T N 2.078 116.784 114.554 0.253 0.000 2.693 433 T HA 0.610 4.959 4.350 -0.001 0.000 0.304 433 T C -1.625 173.221 174.700 0.244 0.000 1.471 433 T CA -0.500 61.673 62.100 0.121 0.000 0.993 433 T CB 0.109 69.033 68.868 0.093 0.000 1.554 433 T HN 0.361 nan 8.240 nan 0.000 0.496 434 F N 2.513 122.537 119.950 0.123 0.000 2.563 434 F HA 0.253 4.780 4.527 -0.001 0.000 0.363 434 F C 1.575 177.318 175.800 -0.095 0.000 1.123 434 F CA -0.973 57.033 58.000 0.011 0.000 1.307 434 F CB 0.051 38.988 39.000 -0.104 0.000 1.115 434 F HN 0.486 nan 8.300 nan 0.000 0.592 435 L N 3.391 124.688 121.223 0.122 0.000 2.043 435 L HA -0.270 4.070 4.340 -0.001 0.000 0.212 435 L C 2.255 178.950 176.870 -0.291 0.000 1.075 435 L CA 1.771 56.544 54.840 -0.112 0.000 0.752 435 L CB -0.848 41.203 42.059 -0.013 0.000 0.891 435 L HN 0.740 nan 8.230 nan 0.000 0.432 436 M N -0.747 118.622 119.600 -0.386 0.000 2.106 436 M HA -0.246 4.234 4.480 -0.001 0.000 0.259 436 M C 1.589 177.587 176.300 -0.503 0.000 1.068 436 M CA 1.888 56.852 55.300 -0.560 0.000 1.100 436 M CB -0.624 31.409 32.600 -0.944 0.000 1.351 436 M HN 0.260 nan 8.290 nan 0.000 0.404 437 F N -1.333 118.541 119.950 -0.128 0.000 2.811 437 F HA 0.142 4.669 4.527 -0.001 0.000 0.301 437 F C 2.122 177.828 175.800 -0.156 0.000 1.151 437 F CA 0.059 57.953 58.000 -0.176 0.000 1.412 437 F CB -1.668 37.117 39.000 -0.358 0.000 1.113 437 F HN -0.001 nan 8.300 nan 0.000 0.579 438 V N 0.406 120.190 119.914 -0.217 0.000 2.546 438 V HA -0.285 3.835 4.120 -0.001 0.000 0.254 438 V C 2.073 178.105 176.094 -0.103 0.000 1.076 438 V CA 2.137 64.242 62.300 -0.325 0.000 1.087 438 V CB -0.179 31.242 31.823 -0.671 0.000 0.674 438 V HN 0.371 nan 8.190 nan 0.000 0.470 439 E N -1.229 118.961 120.200 -0.016 0.000 2.150 439 E HA -0.214 4.136 4.350 -0.001 0.000 0.193 439 E C 2.021 178.649 176.600 0.047 0.000 0.985 439 E CA 1.441 57.853 56.400 0.020 0.000 0.814 439 E CB -0.180 29.553 29.700 0.055 0.000 0.752 439 E HN 0.757 nan 8.360 nan 0.000 0.466 440 Y N 0.210 120.472 120.300 -0.063 0.000 2.293 440 Y HA -0.072 4.478 4.550 -0.001 0.000 0.291 440 Y C 2.074 177.814 175.900 -0.267 0.000 1.137 440 Y CA 1.028 59.065 58.100 -0.105 0.000 1.202 440 Y CB -0.045 38.410 38.460 -0.008 0.000 0.990 440 Y HN -0.012 nan 8.280 nan 0.000 0.537 441 A N -1.126 121.676 122.820 -0.031 0.000 2.423 441 A HA 0.197 4.516 4.320 -0.001 0.000 0.246 441 A C 1.913 179.390 177.584 -0.178 0.000 1.278 441 A CA -0.083 51.909 52.037 -0.075 0.000 0.903 441 A CB -0.298 18.779 19.000 0.129 0.000 0.997 441 A HN 0.176 nan 8.150 nan 0.000 0.510 442 R N 1.289 121.637 120.500 -0.253 0.000 2.091 442 R HA -0.127 4.212 4.340 -0.001 0.000 0.238 442 R C 1.814 178.054 176.300 -0.101 0.000 1.136 442 R CA 2.169 58.183 56.100 -0.144 0.000 0.959 442 R CB -0.607 29.611 30.300 -0.137 0.000 0.856 442 R HN 0.650 nan 8.270 nan 0.000 0.437 443 N N -0.612 117.979 118.700 -0.181 0.000 2.396 443 N HA -0.083 4.657 4.740 -0.001 0.000 0.180 443 N C 1.191 176.782 175.510 0.134 0.000 1.028 443 N CA 0.957 53.996 53.050 -0.018 0.000 0.893 443 N CB 0.093 38.581 38.487 0.003 0.000 0.967 443 N HN 0.339 nan 8.380 nan 0.000 0.440 444 A N 0.411 123.379 122.820 0.247 0.000 1.968 444 A HA -0.006 4.314 4.320 -0.001 0.000 0.217 444 A C 2.344 180.025 177.584 0.162 0.000 1.169 444 A CA 0.672 52.881 52.037 0.287 0.000 0.638 444 A CB -0.429 18.817 19.000 0.410 0.000 0.812 444 A HN 0.146 nan 8.150 nan 0.000 0.446 445 V N 0.123 120.116 119.914 0.131 0.000 2.295 445 V HA -0.252 3.867 4.120 -0.001 0.000 0.246 445 V C 2.624 178.775 176.094 0.095 0.000 1.049 445 V CA 2.258 64.630 62.300 0.120 0.000 1.024 445 V CB -0.788 31.109 31.823 0.124 0.000 0.648 445 V HN 0.661 nan 8.190 nan 0.000 0.447 446 R N -0.599 119.946 120.500 0.075 0.000 2.091 446 R HA -0.172 4.167 4.340 -0.001 0.000 0.238 446 R C 2.313 178.656 176.300 0.072 0.000 1.136 446 R CA 1.635 57.773 56.100 0.063 0.000 0.959 446 R CB -0.179 30.148 30.300 0.044 0.000 0.856 446 R HN 0.308 nan 8.270 nan 0.000 0.437 447 M N 0.020 119.671 119.600 0.086 0.000 2.159 447 M HA -0.070 4.410 4.480 -0.001 0.000 0.263 447 M C 2.359 178.707 176.300 0.081 0.000 1.063 447 M CA 1.499 56.849 55.300 0.084 0.000 1.110 447 M CB -0.989 31.668 32.600 0.096 0.000 1.374 447 M HN 0.274 nan 8.290 nan 0.000 0.411 448 A N 0.241 123.112 122.820 0.086 0.000 1.902 448 A HA -0.027 4.293 4.320 -0.001 0.000 0.217 448 A C 2.437 180.067 177.584 0.077 0.000 1.181 448 A CA 2.157 54.242 52.037 0.080 0.000 0.623 448 A CB -0.869 18.181 19.000 0.083 0.000 0.818 448 A HN 0.469 nan 8.150 nan 0.000 0.443 449 A N -0.550 122.317 122.820 0.078 0.000 1.873 449 A HA -0.000 4.319 4.320 -0.001 0.000 0.215 449 A C 2.132 179.757 177.584 0.068 0.000 1.186 449 A CA 1.693 53.775 52.037 0.075 0.000 0.616 449 A CB -0.656 18.388 19.000 0.074 0.000 0.823 449 A HN 0.718 nan 8.150 nan 0.000 0.442 450 L N -0.442 120.821 121.223 0.067 0.000 2.042 450 L HA -0.063 4.277 4.340 -0.001 0.000 0.210 450 L C 2.222 179.133 176.870 0.068 0.000 1.076 450 L CA 2.027 56.906 54.840 0.065 0.000 0.749 450 L CB -0.440 41.658 42.059 0.064 0.000 0.893 450 L HN 0.432 nan 8.230 nan 0.000 0.432 451 M N -0.744 118.898 119.600 0.070 0.000 2.618 451 M HA -0.004 4.475 4.480 -0.001 0.000 0.240 451 M C 0.253 176.593 176.300 0.066 0.000 1.123 451 M CA 0.296 55.638 55.300 0.071 0.000 1.060 451 M CB -0.063 32.580 32.600 0.071 0.000 1.535 451 M HN 0.134 nan 8.290 nan 0.000 0.507 452 K N 1.025 121.463 120.400 0.063 0.000 3.096 452 K HA -0.148 4.172 4.320 -0.001 0.000 0.266 452 K C -0.620 176.014 176.600 0.056 0.000 1.043 452 K CA 0.425 56.746 56.287 0.058 0.000 0.758 452 K CB -1.223 31.307 32.500 0.050 0.000 1.260 452 K HN 0.391 nan 8.250 nan 0.000 0.481 453 Q N 0.934 120.771 119.800 0.062 0.000 2.230 453 Q HA 0.206 4.546 4.340 -0.001 0.000 0.253 453 Q C 0.050 176.088 176.000 0.063 0.000 0.919 453 Q CA -0.398 55.442 55.803 0.062 0.000 0.908 453 Q CB 1.528 30.307 28.738 0.068 0.000 1.245 453 Q HN 0.233 nan 8.270 nan 0.000 0.437 454 R N 2.263 122.799 120.500 0.060 0.000 2.242 454 R HA 0.137 4.477 4.340 -0.001 0.000 0.334 454 R C -0.634 175.717 176.300 0.084 0.000 1.071 454 R CA 0.233 56.371 56.100 0.063 0.000 0.922 454 R CB 0.426 30.756 30.300 0.051 0.000 1.023 454 R HN 0.614 nan 8.270 nan 0.000 0.458 455 Q N 3.700 123.547 119.800 0.078 0.000 2.295 455 Q HA 0.244 4.584 4.340 -0.001 0.000 0.268 455 Q C -1.815 174.206 176.000 0.035 0.000 1.010 455 Q CA -0.797 55.054 55.803 0.081 0.000 0.856 455 Q CB 2.325 31.102 28.738 0.065 0.000 1.349 455 Q HN 0.436 nan 8.270 nan 0.000 0.412 456 V N 4.897 124.829 119.914 0.030 0.000 2.407 456 V HA 0.430 4.550 4.120 -0.001 0.000 0.278 456 V C -0.151 175.828 176.094 -0.191 0.000 1.037 456 V CA -0.188 62.021 62.300 -0.152 0.000 0.900 456 V CB 1.244 32.849 31.823 -0.364 0.000 0.983 456 V HN 0.803 nan 8.190 nan 0.000 0.459 457 M N 5.349 124.751 119.600 -0.330 0.000 2.072 457 M HA 0.439 4.918 4.480 -0.001 0.000 0.331 457 M C -0.874 174.957 176.300 -0.782 0.000 1.004 457 M CA -0.492 54.474 55.300 -0.557 0.000 0.952 457 M CB 1.743 33.981 32.600 -0.604 0.000 1.511 457 M HN 0.318 nan 8.290 nan 0.000 0.422 458 V N 4.592 124.177 119.914 -0.548 0.000 2.304 458 V HA 0.223 4.343 4.120 -0.001 0.000 0.262 458 V C -1.105 174.919 176.094 -0.118 0.000 1.061 458 V CA -0.409 61.723 62.300 -0.280 0.000 0.872 458 V CB -0.425 31.385 31.823 -0.023 0.000 1.077 458 V HN 0.535 nan 8.190 nan 0.000 0.480 459 Y N 3.100 123.447 120.300 0.078 0.000 2.478 459 Y HA 0.498 5.048 4.550 -0.001 0.000 0.329 459 Y C 0.958 176.952 175.900 0.157 0.000 0.967 459 Y CA -1.217 56.950 58.100 0.111 0.000 1.255 459 Y CB 1.345 39.847 38.460 0.070 0.000 1.103 459 Y HN 0.689 nan 8.280 nan 0.000 0.497 460 T N -1.698 113.108 114.554 0.421 0.000 2.897 460 T HA 0.410 4.760 4.350 -0.001 0.000 0.278 460 T C -0.499 174.477 174.700 0.460 0.000 0.981 460 T CA -0.539 61.821 62.100 0.433 0.000 0.973 460 T CB 0.573 69.783 68.868 0.569 0.000 1.092 460 T HN 0.685 nan 8.240 nan 0.000 0.543 461 H N 0.208 119.320 119.070 0.071 0.000 2.847 461 H HA -0.073 4.482 4.556 -0.001 0.000 0.336 461 H C 0.494 175.777 175.328 -0.074 0.000 1.221 461 H CA 0.800 56.796 56.048 -0.087 0.000 1.162 461 H CB -1.790 27.741 29.762 -0.386 0.000 1.566 461 H HN 0.832 nan 8.280 nan 0.000 0.430 462 D N -0.985 119.436 120.400 0.035 0.000 2.349 462 D HA 0.050 4.689 4.640 -0.001 0.000 0.215 462 D C 0.905 177.191 176.300 -0.024 0.000 1.016 462 D CA 0.861 54.875 54.000 0.024 0.000 0.870 462 D CB 0.422 41.249 40.800 0.045 0.000 0.917 462 D HN 0.507 nan 8.370 nan 0.000 0.524 463 S N -0.646 115.022 115.700 -0.053 0.000 2.724 463 S HA 0.258 4.728 4.470 -0.001 0.000 0.278 463 S C 1.200 175.708 174.600 -0.153 0.000 1.190 463 S CA -0.376 57.766 58.200 -0.096 0.000 0.860 463 S CB -0.082 63.071 63.200 -0.078 0.000 1.206 463 S HN 0.035 nan 8.310 nan 0.000 0.507 464 I N -0.483 119.942 120.570 -0.243 0.000 2.623 464 I HA 0.113 4.283 4.170 -0.001 0.000 0.261 464 I C 1.944 177.782 176.117 -0.465 0.000 1.204 464 I CA 1.705 62.800 61.300 -0.342 0.000 1.444 464 I CB -1.197 36.555 38.000 -0.414 0.000 1.094 464 I HN 0.731 nan 8.210 nan 0.000 0.451 465 G N 2.669 111.227 108.800 -0.403 0.000 2.501 465 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.220 465 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.220 465 G C 1.546 176.378 174.900 -0.113 0.000 1.114 465 G CA 0.966 45.962 45.100 -0.174 0.000 0.757 465 G HN 0.642 nan 8.290 nan 0.000 0.559 466 L N -1.172 119.967 121.223 -0.140 0.000 2.291 466 L HA 0.431 4.770 4.340 -0.001 0.000 0.214 466 L C 1.606 178.418 176.870 -0.098 0.000 1.120 466 L CA 0.875 55.640 54.840 -0.125 0.000 0.799 466 L CB -0.874 41.126 42.059 -0.099 0.000 0.925 466 L HN 0.430 nan 8.230 nan 0.000 0.446 467 G N 0.184 108.913 108.800 -0.119 0.000 2.552 467 G HA2 -0.398 3.562 3.960 -0.001 0.000 0.267 467 G HA3 -0.398 3.562 3.960 -0.001 0.000 0.267 467 G C 0.666 175.524 174.900 -0.070 0.000 1.174 467 G CA 0.464 45.509 45.100 -0.091 0.000 0.955 467 G HN 0.363 nan 8.290 nan 0.000 0.546 468 E N 1.053 121.221 120.200 -0.054 0.000 2.265 468 E HA 0.046 4.395 4.350 -0.001 0.000 0.196 468 E C 1.925 178.479 176.600 -0.077 0.000 0.996 468 E CA 1.250 57.621 56.400 -0.049 0.000 0.832 468 E CB -0.151 29.529 29.700 -0.034 0.000 0.756 468 E HN 0.460 nan 8.360 nan 0.000 0.491 469 D N -0.172 120.154 120.400 -0.124 0.000 2.263 469 D HA -0.011 4.628 4.640 -0.001 0.000 0.208 469 D C 1.083 177.272 176.300 -0.185 0.000 0.971 469 D CA 1.277 55.130 54.000 -0.246 0.000 0.867 469 D CB -0.217 40.305 40.800 -0.464 0.000 0.929 469 D HN 0.240 nan 8.370 nan 0.000 0.492 470 G N 0.206 108.957 108.800 -0.081 0.000 2.681 470 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.220 470 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.220 470 G C -1.904 173.014 174.900 0.030 0.000 1.353 470 G CA -0.097 44.994 45.100 -0.015 0.000 0.872 470 G HN 0.001 nan 8.290 nan 0.000 0.557 471 P HA -0.080 nan 4.420 nan 0.000 0.222 471 P C 1.879 179.203 177.300 0.039 0.000 1.147 471 P CA 2.707 65.839 63.100 0.054 0.000 0.790 471 P CB -0.368 31.362 31.700 0.049 0.000 0.780 472 T N -4.689 109.917 114.554 0.087 0.000 2.995 472 T HA -0.103 4.247 4.350 -0.001 0.000 0.269 472 T C 1.477 176.265 174.700 0.146 0.000 1.091 472 T CA 1.177 63.357 62.100 0.133 0.000 1.128 472 T CB -0.920 68.087 68.868 0.231 0.000 0.891 472 T HN 0.153 nan 8.240 nan 0.000 0.492 473 H N 0.617 119.659 119.070 -0.046 0.000 2.604 473 H HA 0.393 4.948 4.556 -0.001 0.000 0.273 473 H C 0.648 175.857 175.328 -0.199 0.000 0.971 473 H CA -0.035 55.918 56.048 -0.159 0.000 1.249 473 H CB 0.108 29.810 29.762 -0.099 0.000 1.449 473 H HN 0.440 nan 8.280 nan 0.000 0.512 474 Q N 2.385 122.186 119.800 0.002 0.000 2.324 474 Q HA 0.172 4.511 4.340 -0.001 0.000 0.257 474 Q C -2.418 173.545 176.000 -0.061 0.000 1.080 474 Q CA -1.946 53.827 55.803 -0.051 0.000 0.907 474 Q CB 0.866 29.572 28.738 -0.052 0.000 1.274 474 Q HN 0.177 nan 8.270 nan 0.000 0.434 475 P HA -0.074 nan 4.420 nan 0.000 0.269 475 P C -0.289 176.975 177.300 -0.060 0.000 1.209 475 P CA 0.109 63.163 63.100 -0.077 0.000 0.776 475 P CB 1.056 32.706 31.700 -0.083 0.000 0.876 476 V N 1.644 121.534 119.914 -0.040 0.000 3.279 476 V HA 0.023 4.142 4.120 -0.001 0.000 0.213 476 V C 1.694 177.769 176.094 -0.032 0.000 1.335 476 V CA 0.632 62.903 62.300 -0.049 0.000 1.317 476 V CB -0.309 31.469 31.823 -0.074 0.000 1.209 476 V HN 0.564 nan 8.190 nan 0.000 0.525 477 E N 0.130 120.312 120.200 -0.030 0.000 2.481 477 E HA -0.032 4.318 4.350 -0.001 0.000 0.198 477 E C 1.511 178.087 176.600 -0.041 0.000 1.027 477 E CA 0.265 56.649 56.400 -0.027 0.000 0.900 477 E CB 0.420 30.106 29.700 -0.025 0.000 0.993 477 E HN 0.489 nan 8.360 nan 0.000 0.482 478 Q N 0.937 120.707 119.800 -0.051 0.000 2.123 478 Q HA -0.009 4.330 4.340 -0.001 0.000 0.199 478 Q C 2.312 178.265 176.000 -0.078 0.000 0.966 478 Q CA 1.430 57.191 55.803 -0.069 0.000 0.845 478 Q CB -0.360 28.320 28.738 -0.096 0.000 0.907 478 Q HN 0.155 nan 8.270 nan 0.000 0.439 479 V N 0.730 120.595 119.914 -0.082 0.000 2.343 479 V HA -0.273 3.846 4.120 -0.001 0.000 0.247 479 V C 2.170 178.141 176.094 -0.206 0.000 1.051 479 V CA 1.750 63.984 62.300 -0.110 0.000 1.036 479 V CB -1.196 30.569 31.823 -0.096 0.000 0.654 479 V HN 0.416 nan 8.190 nan 0.000 0.451 480 A N -0.430 122.248 122.820 -0.237 0.000 1.940 480 A HA -0.271 4.048 4.320 -0.001 0.000 0.219 480 A C 2.573 180.071 177.584 -0.144 0.000 1.176 480 A CA 2.332 54.181 52.037 -0.313 0.000 0.631 480 A CB -0.850 18.072 19.000 -0.130 0.000 0.814 480 A HN 0.509 nan 8.150 nan 0.000 0.446 481 S N -0.479 115.172 115.700 -0.082 0.000 2.370 481 S HA -0.134 4.336 4.470 -0.001 0.000 0.226 481 S C 1.934 176.511 174.600 -0.038 0.000 1.033 481 S CA 1.602 59.776 58.200 -0.043 0.000 1.011 481 S CB -0.490 62.686 63.200 -0.040 0.000 0.852 481 S HN 0.499 nan 8.310 nan 0.000 0.457 482 L N 0.624 121.818 121.223 -0.050 0.000 2.056 482 L HA -0.003 4.337 4.340 -0.001 0.000 0.207 482 L C 2.920 179.771 176.870 -0.032 0.000 1.078 482 L CA 1.225 56.054 54.840 -0.019 0.000 0.749 482 L CB -0.465 41.598 42.059 0.007 0.000 0.901 482 L HN 0.258 nan 8.230 nan 0.000 0.433 483 R N -0.100 120.338 120.500 -0.104 0.000 2.120 483 R HA -0.116 4.224 4.340 -0.001 0.000 0.234 483 R C 1.881 178.186 176.300 0.008 0.000 1.123 483 R CA 1.556 57.594 56.100 -0.103 0.000 0.975 483 R CB -0.323 29.786 30.300 -0.319 0.000 0.866 483 R HN 0.404 nan 8.270 nan 0.000 0.446 484 V N -2.182 117.745 119.914 0.022 0.000 3.633 484 V HA 0.132 4.252 4.120 -0.001 0.000 0.283 484 V C 0.308 176.421 176.094 0.032 0.000 1.305 484 V CA 0.067 62.397 62.300 0.050 0.000 1.153 484 V CB 0.282 32.140 31.823 0.059 0.000 0.950 484 V HN -0.081 nan 8.190 nan 0.000 0.432 485 T N 4.190 118.760 114.554 0.027 0.000 2.761 485 T HA 0.382 4.732 4.350 -0.001 0.000 0.296 485 T C -2.407 172.318 174.700 0.042 0.000 0.934 485 T CA -0.600 61.520 62.100 0.032 0.000 1.091 485 T CB 1.003 69.892 68.868 0.035 0.000 0.896 485 T HN 0.334 nan 8.240 nan 0.000 0.515 486 P HA 0.077 nan 4.420 nan 0.000 0.264 486 P C 0.691 178.025 177.300 0.056 0.000 1.183 486 P CA 0.307 63.435 63.100 0.046 0.000 0.763 486 P CB 0.221 31.945 31.700 0.040 0.000 0.807 487 N N 0.281 119.019 118.700 0.064 0.000 2.815 487 N HA -0.219 4.520 4.740 -0.001 0.000 0.247 487 N C -0.213 175.353 175.510 0.092 0.000 1.030 487 N CA 0.898 53.994 53.050 0.077 0.000 0.881 487 N CB -1.311 37.218 38.487 0.069 0.000 1.134 487 N HN 0.363 nan 8.380 nan 0.000 0.582 488 M N 0.426 120.077 119.600 0.087 0.000 2.235 488 M HA 0.402 4.882 4.480 -0.001 0.000 0.351 488 M C -0.008 176.363 176.300 0.119 0.000 1.178 488 M CA -0.094 55.266 55.300 0.099 0.000 1.143 488 M CB 1.325 33.972 32.600 0.078 0.000 1.530 488 M HN 0.121 nan 8.290 nan 0.000 0.461 489 S N 2.381 118.181 115.700 0.168 0.000 2.454 489 S HA 0.800 5.269 4.470 -0.001 0.000 0.306 489 S C -1.172 173.537 174.600 0.182 0.000 1.100 489 S CA -0.515 57.809 58.200 0.207 0.000 1.087 489 S CB 0.735 64.203 63.200 0.446 0.000 1.019 489 S HN 0.786 nan 8.310 nan 0.000 0.480 490 T N 4.820 119.390 114.554 0.026 0.000 2.937 490 T HA 0.452 4.802 4.350 -0.001 0.000 0.297 490 T C -1.602 172.991 174.700 -0.178 0.000 0.991 490 T CA -0.318 61.792 62.100 0.017 0.000 0.990 490 T CB 0.413 69.260 68.868 -0.035 0.000 0.991 490 T HN 0.625 nan 8.240 nan 0.000 0.440 491 W N 2.207 123.480 121.300 -0.045 0.000 2.532 491 W HA 0.601 5.261 4.660 -0.000 0.000 0.321 491 W C 0.474 176.981 176.519 -0.019 0.000 1.037 491 W CA -0.994 56.321 57.345 -0.050 0.000 1.220 491 W CB 1.305 30.719 29.460 -0.075 0.000 1.361 491 W HN 0.398 nan 8.180 nan 0.000 0.468 492 R N 5.110 125.692 120.500 0.138 0.000 2.587 492 R HA 0.311 4.651 4.340 -0.001 0.000 0.283 492 R C -2.500 173.873 176.300 0.122 0.000 1.472 492 R CA -1.699 54.465 56.100 0.107 0.000 1.578 492 R CB 0.619 30.951 30.300 0.053 0.000 1.130 492 R HN 0.092 nan 8.270 nan 0.000 0.602 493 P HA -0.000 nan 4.420 nan 0.000 0.271 493 P C 0.776 178.132 177.300 0.093 0.000 1.216 493 P CA -0.217 62.980 63.100 0.163 0.000 0.776 493 P CB 1.141 32.940 31.700 0.165 0.000 0.881 494 C N 0.857 120.204 119.300 0.079 0.000 2.673 494 C HA 0.217 4.677 4.460 -0.001 0.000 0.264 494 C C 0.449 175.451 174.990 0.019 0.000 1.304 494 C CA 0.229 59.264 59.018 0.027 0.000 1.727 494 C CB -1.385 26.358 27.740 0.004 0.000 1.932 494 C HN 0.660 nan 8.230 nan 0.000 0.563 495 D N -0.784 119.641 120.400 0.041 0.000 2.851 495 D HA 0.103 4.742 4.640 -0.001 0.000 0.339 495 D C 0.715 177.034 176.300 0.032 0.000 1.347 495 D CA -0.074 53.941 54.000 0.024 0.000 0.888 495 D CB 0.223 41.029 40.800 0.011 0.000 1.431 495 D HN 0.263 nan 8.370 nan 0.000 0.509 496 Q N -0.336 119.469 119.800 0.008 0.000 2.291 496 Q HA 0.009 4.349 4.340 -0.001 0.000 0.205 496 Q C 1.218 177.206 176.000 -0.020 0.000 0.970 496 Q CA 1.467 57.270 55.803 -0.001 0.000 0.876 496 Q CB -0.289 28.431 28.738 -0.029 0.000 0.935 496 Q HN 0.279 nan 8.270 nan 0.000 0.455 497 V N 1.549 121.449 119.914 -0.023 0.000 2.302 497 V HA -0.177 3.942 4.120 -0.001 0.000 0.243 497 V C 2.118 178.225 176.094 0.022 0.000 1.036 497 V CA 1.886 64.163 62.300 -0.037 0.000 1.020 497 V CB -0.572 31.230 31.823 -0.036 0.000 0.657 497 V HN 0.358 nan 8.190 nan 0.000 0.453 498 E N 0.585 120.826 120.200 0.068 0.000 2.160 498 E HA -0.196 4.154 4.350 -0.001 0.000 0.195 498 E C 2.399 179.070 176.600 0.119 0.000 0.991 498 E CA 1.639 58.115 56.400 0.126 0.000 0.810 498 E CB -0.205 29.605 29.700 0.184 0.000 0.742 498 E HN 0.534 nan 8.360 nan 0.000 0.466 499 S N 0.783 116.547 115.700 0.107 0.000 2.356 499 S HA -0.174 4.295 4.470 -0.001 0.000 0.223 499 S C 2.156 176.861 174.600 0.176 0.000 1.032 499 S CA 1.059 59.341 58.200 0.136 0.000 1.005 499 S CB -0.189 63.091 63.200 0.134 0.000 0.867 499 S HN 0.403 nan 8.310 nan 0.000 0.449 500 A N 1.137 124.041 122.820 0.141 0.000 1.902 500 A HA -0.042 4.277 4.320 -0.001 0.000 0.217 500 A C 2.343 180.062 177.584 0.225 0.000 1.181 500 A CA 1.473 53.634 52.037 0.205 0.000 0.623 500 A CB -0.925 18.153 19.000 0.130 0.000 0.818 500 A HN 0.337 nan 8.150 nan 0.000 0.443 501 V N -0.103 119.872 119.914 0.102 0.000 2.332 501 V HA -0.272 3.848 4.120 -0.001 0.000 0.248 501 V C 3.051 179.055 176.094 -0.150 0.000 1.055 501 V CA 2.002 64.318 62.300 0.026 0.000 1.038 501 V CB -1.242 30.579 31.823 -0.002 0.000 0.651 501 V HN 0.624 nan 8.190 nan 0.000 0.450 502 A N -1.381 121.275 122.820 -0.273 0.000 1.902 502 A HA -0.256 4.064 4.320 -0.001 0.000 0.217 502 A C 1.972 179.373 177.584 -0.305 0.000 1.181 502 A CA 1.839 53.463 52.037 -0.689 0.000 0.623 502 A CB -0.890 17.892 19.000 -0.364 0.000 0.818 502 A HN 0.651 nan 8.150 nan 0.000 0.443 503 W N 0.248 121.501 121.300 -0.079 0.000 2.358 503 W HA -0.170 4.489 4.660 -0.001 0.000 0.303 503 W C 2.477 179.192 176.519 0.328 0.000 1.208 503 W CA 2.029 59.428 57.345 0.089 0.000 1.274 503 W CB 0.077 29.535 29.460 -0.004 0.000 1.138 503 W HN 0.339 nan 8.180 nan 0.000 0.515 504 K N -0.730 120.056 120.400 0.644 0.000 2.026 504 K HA -0.299 4.020 4.320 -0.001 0.000 0.208 504 K C 2.030 178.790 176.600 0.267 0.000 1.048 504 K CA 1.820 58.417 56.287 0.517 0.000 0.929 504 K CB -0.877 31.840 32.500 0.362 0.000 0.713 504 K HN 0.208 nan 8.250 nan 0.000 0.439 505 Y N 0.789 121.065 120.300 -0.039 0.000 2.114 505 Y HA -0.210 4.339 4.550 -0.001 0.000 0.282 505 Y C 2.105 177.967 175.900 -0.064 0.000 1.165 505 Y CA 2.128 60.148 58.100 -0.134 0.000 1.148 505 Y CB -0.693 37.478 38.460 -0.482 0.000 0.972 505 Y HN 0.203 nan 8.280 nan 0.000 0.504 506 G N -0.438 108.423 108.800 0.101 0.000 2.421 506 G HA2 -0.283 3.676 3.960 -0.001 0.000 0.216 506 G HA3 -0.283 3.676 3.960 -0.001 0.000 0.216 506 G C 1.629 176.570 174.900 0.069 0.000 1.171 506 G CA 1.935 47.067 45.100 0.052 0.000 0.775 506 G HN 0.518 nan 8.290 nan 0.000 0.543 507 V N -1.643 118.376 119.914 0.175 0.000 2.667 507 V HA 0.067 4.187 4.120 -0.001 0.000 0.252 507 V C 1.985 178.047 176.094 -0.053 0.000 1.065 507 V CA 2.109 64.479 62.300 0.117 0.000 1.083 507 V CB -0.436 31.470 31.823 0.139 0.000 0.692 507 V HN 0.431 nan 8.190 nan 0.000 0.468 508 E N 0.406 120.571 120.200 -0.059 0.000 2.478 508 E HA 0.103 4.452 4.350 -0.001 0.000 0.194 508 E C 1.148 177.662 176.600 -0.144 0.000 1.045 508 E CA -0.269 56.066 56.400 -0.108 0.000 0.868 508 E CB 0.183 29.843 29.700 -0.066 0.000 0.885 508 E HN 0.566 nan 8.360 nan 0.000 0.505 509 R N 1.859 122.267 120.500 -0.153 0.000 2.220 509 R HA 0.049 4.389 4.340 -0.001 0.000 0.340 509 R C 0.774 177.039 176.300 -0.060 0.000 1.076 509 R CA 0.083 56.090 56.100 -0.156 0.000 0.920 509 R CB 0.289 30.498 30.300 -0.150 0.000 1.062 509 R HN 0.112 nan 8.270 nan 0.000 0.469 510 Q N 1.667 121.435 119.800 -0.053 0.000 2.389 510 Q HA -0.067 4.273 4.340 -0.001 0.000 0.204 510 Q C -0.100 175.901 176.000 0.001 0.000 0.944 510 Q CA 0.892 56.680 55.803 -0.025 0.000 0.908 510 Q CB 0.485 29.205 28.738 -0.030 0.000 1.002 510 Q HN 0.688 nan 8.270 nan 0.000 0.493 511 D N -0.946 119.458 120.400 0.007 0.000 2.571 511 D HA 0.289 4.929 4.640 -0.001 0.000 0.239 511 D C 0.323 176.650 176.300 0.045 0.000 1.267 511 D CA -0.150 53.865 54.000 0.025 0.000 0.823 511 D CB 0.608 41.421 40.800 0.020 0.000 1.056 511 D HN 0.109 nan 8.370 nan 0.000 0.494 512 G N 0.146 108.978 108.800 0.053 0.000 2.338 512 G HA2 0.420 4.380 3.960 -0.001 0.000 0.295 512 G HA3 0.420 4.380 3.960 -0.001 0.000 0.295 512 G C -3.457 171.495 174.900 0.086 0.000 1.461 512 G CA -1.052 44.093 45.100 0.075 0.000 0.817 512 G HN -0.068 nan 8.290 nan 0.000 0.556 513 P HA 0.564 nan 4.420 nan 0.000 0.280 513 P C -0.750 176.623 177.300 0.122 0.000 1.272 513 P CA -0.194 62.960 63.100 0.090 0.000 0.819 513 P CB 1.717 33.466 31.700 0.082 0.000 1.122 514 T N 0.060 114.666 114.554 0.087 0.000 2.949 514 T HA 0.568 4.918 4.350 -0.001 0.000 0.300 514 T C -0.585 174.120 174.700 0.008 0.000 0.988 514 T CA -0.324 61.854 62.100 0.130 0.000 0.993 514 T CB 1.076 70.031 68.868 0.145 0.000 0.984 514 T HN 0.466 nan 8.240 nan 0.000 0.442 515 A N 4.085 126.945 122.820 0.066 0.000 2.290 515 A HA 0.802 5.122 4.320 -0.001 0.000 0.310 515 A C -0.331 177.266 177.584 0.021 0.000 1.202 515 A CA -0.630 51.393 52.037 -0.022 0.000 0.837 515 A CB 0.260 19.347 19.000 0.146 0.000 1.139 515 A HN 0.849 nan 8.150 nan 0.000 0.509 516 L N 3.677 124.829 121.223 -0.119 0.000 2.296 516 L HA 0.420 4.760 4.340 -0.001 0.000 0.286 516 L C -0.759 176.143 176.870 0.053 0.000 1.023 516 L CA -0.656 54.155 54.840 -0.048 0.000 0.812 516 L CB 1.334 43.254 42.059 -0.232 0.000 1.223 516 L HN 0.481 nan 8.230 nan 0.000 0.421 517 I N 5.537 126.176 120.570 0.115 0.000 2.330 517 I HA 0.432 4.602 4.170 -0.001 0.000 0.286 517 I C -0.145 176.040 176.117 0.113 0.000 1.025 517 I CA -0.207 61.175 61.300 0.136 0.000 1.197 517 I CB 1.036 39.100 38.000 0.107 0.000 1.358 517 I HN 0.475 nan 8.210 nan 0.000 0.467 518 L N 5.003 126.302 121.223 0.127 0.000 2.354 518 L HA 0.536 4.876 4.340 -0.001 0.000 0.269 518 L C 0.529 177.448 176.870 0.082 0.000 1.005 518 L CA -0.674 54.231 54.840 0.109 0.000 0.819 518 L CB 2.291 44.430 42.059 0.133 0.000 1.311 518 L HN 0.590 nan 8.230 nan 0.000 0.423 519 S N 0.860 116.584 115.700 0.040 0.000 2.610 519 S HA 0.360 4.829 4.470 -0.001 0.000 0.273 519 S C 0.694 175.237 174.600 -0.095 0.000 1.274 519 S CA -0.640 57.550 58.200 -0.016 0.000 1.023 519 S CB 1.936 65.132 63.200 -0.007 0.000 0.962 519 S HN 0.768 nan 8.310 nan 0.000 0.523 520 R N 0.779 121.142 120.500 -0.228 0.000 2.093 520 R HA -0.002 4.337 4.340 -0.001 0.000 0.224 520 R C 0.864 177.079 176.300 -0.142 0.000 1.101 520 R CA 0.696 56.581 56.100 -0.358 0.000 0.979 520 R CB -0.098 29.865 30.300 -0.562 0.000 0.877 520 R HN 0.885 nan 8.270 nan 0.000 0.441 521 Q N 1.172 120.929 119.800 -0.072 0.000 2.221 521 Q HA 0.134 4.474 4.340 -0.001 0.000 0.242 521 Q C -1.116 174.878 176.000 -0.010 0.000 0.940 521 Q CA -0.597 55.196 55.803 -0.017 0.000 0.896 521 Q CB 0.664 29.424 28.738 0.037 0.000 1.226 521 Q HN -0.023 nan 8.270 nan 0.000 0.463 522 N N 1.452 120.149 118.700 -0.005 0.000 2.492 522 N HA 0.225 4.965 4.740 -0.001 0.000 0.262 522 N C -0.570 174.927 175.510 -0.021 0.000 1.202 522 N CA 0.177 53.222 53.050 -0.008 0.000 0.926 522 N CB 0.366 38.850 38.487 -0.005 0.000 1.078 522 N HN 0.457 nan 8.380 nan 0.000 0.454 523 L N 1.129 122.340 121.223 -0.020 0.000 2.341 523 L HA 0.560 4.900 4.340 -0.001 0.000 0.278 523 L C 0.514 177.366 176.870 -0.030 0.000 1.005 523 L CA -1.277 53.543 54.840 -0.033 0.000 0.818 523 L CB 1.549 43.594 42.059 -0.023 0.000 1.259 523 L HN 0.412 nan 8.230 nan 0.000 0.418 524 A N 2.727 125.521 122.820 -0.042 0.000 2.477 524 A HA 0.161 4.480 4.320 -0.001 0.000 0.246 524 A C 0.011 177.578 177.584 -0.028 0.000 1.078 524 A CA -0.008 52.007 52.037 -0.037 0.000 0.770 524 A CB 0.323 19.294 19.000 -0.048 0.000 1.011 524 A HN 0.797 nan 8.150 nan 0.000 0.494 525 Q N 1.464 121.251 119.800 -0.022 0.000 2.314 525 Q HA 0.213 4.553 4.340 -0.001 0.000 0.258 525 Q C -0.471 175.519 176.000 -0.016 0.000 0.954 525 Q CA -0.256 55.536 55.803 -0.017 0.000 0.890 525 Q CB 0.509 29.235 28.738 -0.020 0.000 1.210 525 Q HN 0.730 nan 8.270 nan 0.000 0.410 526 Q N 2.405 122.202 119.800 -0.006 0.000 2.222 526 Q HA 0.225 4.565 4.340 -0.001 0.000 0.252 526 Q C -0.862 175.142 176.000 0.006 0.000 0.926 526 Q CA -0.278 55.523 55.803 -0.004 0.000 0.899 526 Q CB 1.439 30.180 28.738 0.006 0.000 1.250 526 Q HN 0.668 nan 8.270 nan 0.000 0.441 527 E N 1.693 121.894 120.200 0.002 0.000 2.360 527 E HA 0.199 4.548 4.350 -0.001 0.000 0.269 527 E C -0.440 176.174 176.600 0.023 0.000 1.022 527 E CA 0.231 56.635 56.400 0.007 0.000 0.887 527 E CB 0.753 30.456 29.700 0.005 0.000 0.990 527 E HN 0.149 nan 8.360 nan 0.000 0.426 528 R N 1.167 121.679 120.500 0.019 0.000 2.604 528 R HA 0.224 4.564 4.340 -0.001 0.000 0.281 528 R C -0.378 175.929 176.300 0.013 0.000 1.020 528 R CA -0.635 55.482 56.100 0.028 0.000 0.899 528 R CB 1.820 32.130 30.300 0.018 0.000 1.205 528 R HN 0.629 nan 8.270 nan 0.000 0.450 529 T N -1.908 112.659 114.554 0.021 0.000 2.748 529 T HA -0.004 4.345 4.350 -0.001 0.000 0.304 529 T C 1.218 175.918 174.700 -0.000 0.000 1.041 529 T CA -0.440 61.668 62.100 0.014 0.000 1.033 529 T CB 1.052 69.935 68.868 0.025 0.000 0.995 529 T HN 0.762 nan 8.240 nan 0.000 0.536 530 E N 0.100 120.300 120.200 -0.001 0.000 2.097 530 E HA -0.264 4.086 4.350 -0.001 0.000 0.196 530 E C 2.044 178.636 176.600 -0.012 0.000 1.000 530 E CA 1.755 58.150 56.400 -0.009 0.000 0.804 530 E CB -0.118 29.580 29.700 -0.003 0.000 0.740 530 E HN 0.876 nan 8.360 nan 0.000 0.454 531 E N -0.054 120.148 120.200 0.003 0.000 2.051 531 E HA -0.255 4.094 4.350 -0.001 0.000 0.192 531 E C 2.206 178.801 176.600 -0.009 0.000 0.991 531 E CA 1.361 57.768 56.400 0.011 0.000 0.799 531 E CB 0.024 29.747 29.700 0.039 0.000 0.748 531 E HN 0.355 nan 8.360 nan 0.000 0.449 532 Q N 0.097 119.893 119.800 -0.006 0.000 2.084 532 Q HA -0.179 4.161 4.340 -0.001 0.000 0.202 532 Q C 2.346 178.209 176.000 -0.229 0.000 0.978 532 Q CA 1.224 56.992 55.803 -0.059 0.000 0.844 532 Q CB -0.142 28.631 28.738 0.058 0.000 0.898 532 Q HN 0.269 nan 8.270 nan 0.000 0.426 533 L N 0.700 121.847 121.223 -0.126 0.000 2.012 533 L HA -0.166 4.173 4.340 -0.001 0.000 0.210 533 L C 2.155 178.942 176.870 -0.138 0.000 1.073 533 L CA 2.190 56.953 54.840 -0.129 0.000 0.748 533 L CB -0.772 41.247 42.059 -0.067 0.000 0.891 533 L HN 0.137 nan 8.230 nan 0.000 0.431 534 A N -0.705 122.058 122.820 -0.095 0.000 1.972 534 A HA -0.183 4.136 4.320 -0.001 0.000 0.219 534 A C 1.969 179.498 177.584 -0.092 0.000 1.169 534 A CA 1.708 53.705 52.037 -0.067 0.000 0.635 534 A CB -0.736 18.243 19.000 -0.036 0.000 0.810 534 A HN 0.615 nan 8.150 nan 0.000 0.446 535 N N 0.034 118.639 118.700 -0.158 0.000 2.512 535 N HA 0.005 4.745 4.740 -0.001 0.000 0.183 535 N C 1.421 176.781 175.510 -0.251 0.000 1.073 535 N CA 0.709 53.669 53.050 -0.149 0.000 0.911 535 N CB -0.404 38.070 38.487 -0.023 0.000 0.964 535 N HN 0.595 nan 8.380 nan 0.000 0.447 536 I N 0.995 121.293 120.570 -0.453 0.000 2.194 536 I HA -0.294 3.876 4.170 -0.001 0.000 0.246 536 I C 2.120 178.356 176.117 0.200 0.000 1.093 536 I CA 1.267 62.435 61.300 -0.219 0.000 1.355 536 I CB -0.330 37.607 38.000 -0.106 0.000 1.046 536 I HN 0.071 nan 8.210 nan 0.000 0.413 537 A N 0.607 123.522 122.820 0.158 0.000 2.121 537 A HA -0.118 4.201 4.320 -0.001 0.000 0.218 537 A C 2.156 179.947 177.584 0.346 0.000 1.154 537 A CA 0.974 53.196 52.037 0.308 0.000 0.679 537 A CB -0.542 18.583 19.000 0.209 0.000 0.795 537 A HN 0.391 nan 8.150 nan 0.000 0.458 538 R N -1.199 119.425 120.500 0.206 0.000 2.313 538 R HA 0.172 4.511 4.340 -0.001 0.000 0.199 538 R C 1.575 178.047 176.300 0.287 0.000 0.958 538 R CA 0.534 56.725 56.100 0.153 0.000 1.047 538 R CB -0.168 30.070 30.300 -0.103 0.000 0.955 538 R HN 0.631 nan 8.270 nan 0.000 0.481 539 G N 0.342 109.294 108.800 0.254 0.000 2.417 539 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.233 539 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.233 539 G C 0.331 175.300 174.900 0.115 0.000 1.103 539 G CA -0.044 45.062 45.100 0.011 0.000 0.647 539 G HN 0.624 nan 8.290 nan 0.000 0.512 540 G N -0.580 108.437 108.800 0.363 0.000 2.701 540 G HA2 0.865 4.825 3.960 -0.001 0.000 0.300 540 G HA3 0.865 4.825 3.960 -0.001 0.000 0.300 540 G C -0.978 174.158 174.900 0.392 0.000 1.410 540 G CA 0.153 45.285 45.100 0.053 0.000 1.014 540 G HN 1.663 nan 8.290 nan 0.000 0.509 541 Y N -0.700 119.633 120.300 0.055 0.000 2.624 541 Y HA 0.667 5.216 4.550 -0.001 0.000 0.334 541 Y C -0.935 174.971 175.900 0.010 0.000 1.155 541 Y CA -1.701 56.479 58.100 0.134 0.000 1.046 541 Y CB 0.977 39.562 38.460 0.208 0.000 1.316 541 Y HN 0.436 nan 8.280 nan 0.000 0.457 542 V N 3.800 123.769 119.914 0.092 0.000 2.439 542 V HA 0.036 4.156 4.120 -0.001 0.000 0.271 542 V C 0.574 176.673 176.094 0.008 0.000 1.040 542 V CA 0.107 62.389 62.300 -0.030 0.000 1.002 542 V CB 0.611 32.446 31.823 0.020 0.000 1.000 542 V HN 0.896 nan 8.190 nan 0.000 0.477 543 L N 4.926 126.041 121.223 -0.180 0.000 2.286 543 L HA 0.387 4.727 4.340 -0.001 0.000 0.203 543 L C 0.785 177.563 176.870 -0.152 0.000 1.068 543 L CA 1.532 56.297 54.840 -0.125 0.000 0.811 543 L CB 0.036 41.938 42.059 -0.261 0.000 0.989 543 L HN 0.439 nan 8.230 nan 0.000 0.467 544 K N 0.093 120.323 120.400 -0.282 0.000 2.426 544 K HA 0.487 4.807 4.320 -0.001 0.000 0.251 544 K C -1.425 175.017 176.600 -0.264 0.000 0.941 544 K CA -0.572 55.458 56.287 -0.428 0.000 0.808 544 K CB 2.216 34.023 32.500 -1.155 0.000 1.265 544 K HN -0.129 nan 8.250 nan 0.000 0.432 545 D N -0.176 120.188 120.400 -0.061 0.000 2.664 545 D HA 0.543 5.182 4.640 -0.001 0.000 0.292 545 D C -1.054 175.365 176.300 0.199 0.000 1.214 545 D CA -0.238 53.809 54.000 0.079 0.000 0.932 545 D CB 1.577 42.402 40.800 0.042 0.000 1.420 545 D HN 0.657 nan 8.370 nan 0.000 0.471 546 C N -0.453 118.932 119.300 0.142 0.000 3.044 546 C HA 0.996 5.455 4.460 -0.001 0.000 0.315 546 C C 0.026 175.057 174.990 0.068 0.000 1.320 546 C CA -0.945 58.141 59.018 0.113 0.000 1.582 546 C CB 0.523 28.322 27.740 0.099 0.000 2.039 546 C HN 0.653 nan 8.230 nan 0.000 0.466 547 A N 1.341 124.191 122.820 0.050 0.000 2.409 547 A HA 0.685 5.005 4.320 -0.001 0.000 0.262 547 A C 1.008 178.609 177.584 0.029 0.000 1.113 547 A CA 1.075 53.134 52.037 0.036 0.000 0.790 547 A CB -0.857 18.160 19.000 0.028 0.000 1.046 547 A HN 3.082 nan 8.150 nan 0.000 0.496 548 G N 0.865 109.680 108.800 0.025 0.000 2.741 548 G HA2 -0.133 3.827 3.960 -0.001 0.000 0.222 548 G HA3 -0.133 3.827 3.960 -0.001 0.000 0.222 548 G C 0.016 174.929 174.900 0.021 0.000 1.364 548 G CA 0.095 45.207 45.100 0.020 0.000 0.866 548 G HN 1.336 nan 8.290 nan 0.000 0.555 549 Q N 0.597 120.407 119.800 0.016 0.000 2.289 549 Q HA 0.388 4.728 4.340 -0.001 0.000 0.273 549 Q C -1.886 174.121 176.000 0.013 0.000 1.029 549 Q CA -0.994 54.818 55.803 0.014 0.000 0.896 549 Q CB 0.330 29.076 28.738 0.012 0.000 1.182 549 Q HN 0.376 nan 8.270 nan 0.000 0.385 550 P HA -0.070 nan 4.420 nan 0.000 0.268 550 P C -0.498 176.794 177.300 -0.013 0.000 1.205 550 P CA 0.273 63.377 63.100 0.007 0.000 0.771 550 P CB 0.542 32.245 31.700 0.004 0.000 0.858 551 E N 1.877 122.066 120.200 -0.018 0.000 2.478 551 E HA 0.110 4.460 4.350 -0.001 0.000 0.194 551 E C -0.083 176.451 176.600 -0.111 0.000 1.045 551 E CA 0.121 56.499 56.400 -0.036 0.000 0.868 551 E CB 0.083 29.787 29.700 0.006 0.000 0.885 551 E HN 0.179 nan 8.360 nan 0.000 0.505 552 L N 1.106 122.254 121.223 -0.125 0.000 2.526 552 L HA 0.456 4.796 4.340 -0.001 0.000 0.263 552 L C -1.846 174.888 176.870 -0.226 0.000 0.943 552 L CA -0.670 54.024 54.840 -0.243 0.000 0.859 552 L CB 2.185 44.068 42.059 -0.292 0.000 1.313 552 L HN 0.030 nan 8.230 nan 0.000 0.406 553 I N 4.835 125.235 120.570 -0.283 0.000 2.418 553 I HA 0.376 4.546 4.170 -0.001 0.000 0.287 553 I C -0.972 174.955 176.117 -0.317 0.000 1.008 553 I CA -0.411 60.766 61.300 -0.205 0.000 1.104 553 I CB 1.421 39.352 38.000 -0.116 0.000 1.264 553 I HN 0.405 nan 8.210 nan 0.000 0.438 554 F N 6.484 126.379 119.950 -0.091 0.000 2.396 554 F HA 0.470 4.997 4.527 -0.000 0.000 0.343 554 F C 0.336 176.017 175.800 -0.199 0.000 1.104 554 F CA -0.307 57.611 58.000 -0.136 0.000 1.161 554 F CB 0.875 39.806 39.000 -0.114 0.000 1.146 554 F HN 0.182 nan 8.300 nan 0.000 0.522 555 I N 3.319 123.840 120.570 -0.082 0.000 2.389 555 I HA 0.672 4.841 4.170 -0.001 0.000 0.288 555 I C -0.369 175.538 176.117 -0.349 0.000 0.999 555 I CA -0.493 60.664 61.300 -0.239 0.000 1.129 555 I CB 1.352 39.191 38.000 -0.268 0.000 1.288 555 I HN 0.679 nan 8.210 nan 0.000 0.444 556 A N 4.093 126.728 122.820 -0.308 0.000 2.515 556 A HA 0.957 5.276 4.320 -0.001 0.000 0.296 556 A C -0.433 177.014 177.584 -0.227 0.000 1.094 556 A CA -0.544 51.317 52.037 -0.294 0.000 0.718 556 A CB 2.042 20.914 19.000 -0.213 0.000 1.307 556 A HN 0.655 nan 8.150 nan 0.000 0.408 557 T N -1.863 112.592 114.554 -0.164 0.000 2.883 557 T HA 0.752 5.101 4.350 -0.001 0.000 0.296 557 T C 0.821 175.486 174.700 -0.058 0.000 1.117 557 T CA 0.451 62.510 62.100 -0.069 0.000 1.006 557 T CB 1.006 69.896 68.868 0.036 0.000 1.191 557 T HN 2.641 nan 8.240 nan 0.000 0.508 558 G N 2.038 110.826 108.800 -0.020 0.000 2.627 558 G HA2 -0.365 3.595 3.960 -0.001 0.000 0.312 558 G HA3 -0.365 3.595 3.960 -0.001 0.000 0.312 558 G C 1.305 176.172 174.900 -0.056 0.000 1.299 558 G CA 1.870 46.962 45.100 -0.013 0.000 0.989 558 G HN 2.134 nan 8.290 nan 0.000 0.547 559 S N -0.273 115.384 115.700 -0.071 0.000 2.465 559 S HA -0.047 4.422 4.470 -0.001 0.000 0.241 559 S C 1.697 176.181 174.600 -0.194 0.000 1.000 559 S CA 2.223 60.348 58.200 -0.125 0.000 0.964 559 S CB -0.057 63.069 63.200 -0.122 0.000 0.763 559 S HN 0.633 nan 8.310 nan 0.000 0.512 560 E N 0.744 120.838 120.200 -0.176 0.000 2.478 560 E HA 0.210 4.560 4.350 -0.001 0.000 0.194 560 E C 1.751 178.252 176.600 -0.165 0.000 1.045 560 E CA 0.077 56.367 56.400 -0.182 0.000 0.868 560 E CB -0.225 29.388 29.700 -0.145 0.000 0.885 560 E HN 0.391 nan 8.360 nan 0.000 0.505 561 V N 0.868 120.691 119.914 -0.151 0.000 2.343 561 V HA -0.281 3.839 4.120 -0.001 0.000 0.247 561 V C 2.311 178.308 176.094 -0.162 0.000 1.051 561 V CA 2.047 64.252 62.300 -0.158 0.000 1.036 561 V CB -0.323 31.420 31.823 -0.132 0.000 0.654 561 V HN 0.350 nan 8.190 nan 0.000 0.451 562 E N -0.045 120.068 120.200 -0.144 0.000 2.070 562 E HA -0.295 4.055 4.350 -0.001 0.000 0.197 562 E C 2.189 178.698 176.600 -0.153 0.000 1.004 562 E CA 1.826 58.145 56.400 -0.135 0.000 0.805 562 E CB -0.180 29.443 29.700 -0.128 0.000 0.744 562 E HN 0.431 nan 8.360 nan 0.000 0.451 563 L N 0.901 122.021 121.223 -0.171 0.000 2.017 563 L HA -0.118 4.222 4.340 -0.001 0.000 0.208 563 L C 2.273 179.003 176.870 -0.233 0.000 1.073 563 L CA 2.383 57.122 54.840 -0.169 0.000 0.745 563 L CB -0.960 41.018 42.059 -0.136 0.000 0.894 563 L HN 0.184 nan 8.230 nan 0.000 0.432 564 A N -1.216 121.439 122.820 -0.276 0.000 1.933 564 A HA -0.137 4.183 4.320 -0.001 0.000 0.218 564 A C 2.278 179.582 177.584 -0.467 0.000 1.175 564 A CA 1.939 53.695 52.037 -0.469 0.000 0.628 564 A CB -1.079 17.712 19.000 -0.348 0.000 0.814 564 A HN 0.330 nan 8.150 nan 0.000 0.444 565 V N -0.208 119.546 119.914 -0.266 0.000 2.358 565 V HA -0.232 3.887 4.120 -0.001 0.000 0.246 565 V C 3.055 179.111 176.094 -0.063 0.000 1.047 565 V CA 1.838 64.044 62.300 -0.157 0.000 1.035 565 V CB -1.186 30.557 31.823 -0.134 0.000 0.658 565 V HN 0.618 nan 8.190 nan 0.000 0.452 566 A N 0.057 122.807 122.820 -0.117 0.000 1.908 566 A HA -0.165 4.154 4.320 -0.001 0.000 0.218 566 A C 2.422 179.937 177.584 -0.115 0.000 1.181 566 A CA 2.255 54.239 52.037 -0.090 0.000 0.627 566 A CB -0.788 18.154 19.000 -0.098 0.000 0.818 566 A HN 0.574 nan 8.150 nan 0.000 0.445 567 A N -1.368 121.315 122.820 -0.230 0.000 1.898 567 A HA -0.087 4.232 4.320 -0.001 0.000 0.216 567 A C 2.138 179.612 177.584 -0.184 0.000 1.181 567 A CA 1.637 53.514 52.037 -0.265 0.000 0.620 567 A CB -0.902 17.793 19.000 -0.509 0.000 0.819 567 A HN 0.842 nan 8.150 nan 0.000 0.442 568 Y N 0.964 121.034 120.300 -0.384 0.000 2.151 568 Y HA -0.245 4.305 4.550 -0.001 0.000 0.284 568 Y C 2.232 178.110 175.900 -0.037 0.000 1.166 568 Y CA 2.277 60.316 58.100 -0.102 0.000 1.163 568 Y CB -0.109 38.288 38.460 -0.106 0.000 0.974 568 Y HN 0.332 nan 8.280 nan 0.000 0.511 569 E N 0.631 120.795 120.200 -0.060 0.000 2.051 569 E HA -0.175 4.174 4.350 -0.001 0.000 0.192 569 E C 2.084 178.591 176.600 -0.155 0.000 0.991 569 E CA 1.180 57.496 56.400 -0.140 0.000 0.799 569 E CB -0.217 29.485 29.700 0.003 0.000 0.748 569 E HN 0.467 nan 8.360 nan 0.000 0.449 570 K N 0.772 121.112 120.400 -0.099 0.000 2.009 570 K HA -0.097 4.222 4.320 -0.001 0.000 0.210 570 K C 2.474 179.028 176.600 -0.077 0.000 1.049 570 K CA 0.788 57.032 56.287 -0.072 0.000 0.929 570 K CB -0.725 31.747 32.500 -0.047 0.000 0.714 570 K HN 0.165 nan 8.250 nan 0.000 0.440 571 L N 0.810 121.990 121.223 -0.071 0.000 2.046 571 L HA -0.165 4.174 4.340 -0.001 0.000 0.208 571 L C 2.471 179.272 176.870 -0.115 0.000 1.077 571 L CA 1.370 56.181 54.840 -0.048 0.000 0.747 571 L CB -0.744 41.340 42.059 0.042 0.000 0.896 571 L HN 0.179 nan 8.230 nan 0.000 0.432 572 T N -0.211 114.195 114.554 -0.247 0.000 2.746 572 T HA -0.184 4.166 4.350 -0.001 0.000 0.267 572 T C 1.965 176.573 174.700 -0.155 0.000 1.039 572 T CA 1.319 63.253 62.100 -0.276 0.000 1.142 572 T CB -0.260 68.290 68.868 -0.529 0.000 0.866 572 T HN 0.451 nan 8.240 nan 0.000 0.444 573 A N 1.384 124.125 122.820 -0.131 0.000 2.019 573 A HA -0.078 4.242 4.320 -0.001 0.000 0.219 573 A C 1.989 179.540 177.584 -0.055 0.000 1.164 573 A CA 1.173 53.163 52.037 -0.078 0.000 0.644 573 A CB -0.363 18.598 19.000 -0.064 0.000 0.805 573 A HN 0.569 nan 8.150 nan 0.000 0.449 574 E N -1.626 118.542 120.200 -0.053 0.000 2.489 574 E HA 0.271 4.621 4.350 -0.001 0.000 0.193 574 E C 1.043 177.627 176.600 -0.028 0.000 1.057 574 E CA 0.252 56.633 56.400 -0.032 0.000 0.866 574 E CB -0.002 29.686 29.700 -0.020 0.000 0.916 574 E HN 0.716 nan 8.360 nan 0.000 0.500 575 G N 1.076 109.851 108.800 -0.041 0.000 2.157 575 G HA2 -0.256 3.703 3.960 -0.001 0.000 0.239 575 G HA3 -0.256 3.703 3.960 -0.001 0.000 0.239 575 G C 0.355 175.238 174.900 -0.029 0.000 0.982 575 G CA 0.033 45.113 45.100 -0.033 0.000 0.650 575 G HN 0.151 nan 8.290 nan 0.000 0.527 576 V N 1.723 121.618 119.914 -0.032 0.000 2.614 576 V HA 0.314 4.433 4.120 -0.001 0.000 0.291 576 V C 0.695 176.771 176.094 -0.031 0.000 1.049 576 V CA -0.232 62.056 62.300 -0.019 0.000 1.038 576 V CB 1.480 33.300 31.823 -0.006 0.000 0.980 576 V HN 0.193 nan 8.190 nan 0.000 0.481 577 K N 4.443 124.838 120.400 -0.009 0.000 2.250 577 K HA 0.608 4.928 4.320 -0.001 0.000 0.285 577 K C -0.101 176.516 176.600 0.028 0.000 1.097 577 K CA 0.171 56.462 56.287 0.006 0.000 0.913 577 K CB 1.158 33.665 32.500 0.011 0.000 1.179 577 K HN 0.789 nan 8.250 nan 0.000 0.462 578 A N 3.410 126.274 122.820 0.073 0.000 2.384 578 A HA 0.747 5.066 4.320 -0.001 0.000 0.312 578 A C -0.628 177.162 177.584 0.342 0.000 1.113 578 A CA -0.816 51.327 52.037 0.177 0.000 0.779 578 A CB 1.624 20.770 19.000 0.245 0.000 1.307 578 A HN 0.686 nan 8.150 nan 0.000 0.436 579 R N 0.598 121.259 120.500 0.269 0.000 2.744 579 R HA 0.679 5.019 4.340 -0.001 0.000 0.279 579 R C -2.154 174.221 176.300 0.124 0.000 0.977 579 R CA -0.415 55.776 56.100 0.152 0.000 0.906 579 R CB 2.044 32.369 30.300 0.042 0.000 1.197 579 R HN 0.501 nan 8.270 nan 0.000 0.463 580 V N 4.094 123.949 119.914 -0.097 0.000 2.409 580 V HA 0.380 4.500 4.120 -0.001 0.000 0.291 580 V C -0.464 175.507 176.094 -0.205 0.000 1.020 580 V CA -0.788 61.438 62.300 -0.123 0.000 0.848 580 V CB 1.730 33.382 31.823 -0.284 0.000 0.990 580 V HN 0.514 nan 8.190 nan 0.000 0.430 581 V N 3.886 123.677 119.914 -0.205 0.000 2.370 581 V HA 0.384 4.504 4.120 -0.001 0.000 0.279 581 V C 0.455 176.313 176.094 -0.394 0.000 1.029 581 V CA -0.145 61.964 62.300 -0.318 0.000 0.870 581 V CB 1.855 33.501 31.823 -0.294 0.000 0.984 581 V HN 0.888 nan 8.190 nan 0.000 0.451 582 S N 5.078 120.421 115.700 -0.596 0.000 2.513 582 S HA 0.536 5.005 4.470 -0.001 0.000 0.276 582 S C -0.174 174.161 174.600 -0.441 0.000 1.254 582 S CA -0.545 57.339 58.200 -0.527 0.000 1.053 582 S CB 0.443 63.270 63.200 -0.621 0.000 0.958 582 S HN 0.684 nan 8.310 nan 0.000 0.491 583 M N 8.768 128.206 119.600 -0.270 0.000 3.003 583 M HA 0.422 4.901 4.480 -0.001 0.000 0.221 583 M C -2.027 174.197 176.300 -0.127 0.000 1.126 583 M CA -2.055 53.105 55.300 -0.234 0.000 0.778 583 M CB 1.334 33.778 32.600 -0.261 0.000 1.380 583 M HN 0.370 nan 8.290 nan 0.000 0.508 584 P HA -0.038 nan 4.420 nan 0.000 0.218 584 P C 0.019 177.117 177.300 -0.337 0.000 1.149 584 P CA 0.812 63.887 63.100 -0.041 0.000 0.817 584 P CB 0.318 32.145 31.700 0.211 0.000 0.785 585 S N -0.923 114.405 115.700 -0.620 0.000 2.789 585 S HA 0.318 4.788 4.470 -0.001 0.000 0.286 585 S C 1.068 175.418 174.600 -0.418 0.000 1.153 585 S CA -0.286 57.380 58.200 -0.890 0.000 1.084 585 S CB 0.467 62.374 63.200 -2.155 0.000 1.036 585 S HN 0.111 nan 8.310 nan 0.000 0.484 586 T N 1.269 115.688 114.554 -0.224 0.000 2.746 586 T HA -0.172 4.178 4.350 -0.001 0.000 0.267 586 T C 1.454 176.216 174.700 0.103 0.000 1.039 586 T CA 1.715 63.831 62.100 0.027 0.000 1.142 586 T CB -0.617 68.339 68.868 0.146 0.000 0.866 586 T HN 0.785 nan 8.240 nan 0.000 0.444 587 D N 2.390 122.771 120.400 -0.031 0.000 2.117 587 D HA -0.059 4.581 4.640 -0.001 0.000 0.198 587 D C 2.378 178.701 176.300 0.040 0.000 0.982 587 D CA 1.228 55.244 54.000 0.026 0.000 0.828 587 D CB -0.525 40.283 40.800 0.013 0.000 0.967 587 D HN 0.590 nan 8.370 nan 0.000 0.464 588 A N 0.757 123.534 122.820 -0.072 0.000 1.902 588 A HA -0.105 4.215 4.320 -0.001 0.000 0.217 588 A C 2.085 179.737 177.584 0.112 0.000 1.181 588 A CA 1.112 53.163 52.037 0.023 0.000 0.623 588 A CB -1.197 17.736 19.000 -0.112 0.000 0.818 588 A HN 0.267 nan 8.150 nan 0.000 0.443 589 F N 1.491 121.427 119.950 -0.024 0.000 2.095 589 F HA -0.208 4.318 4.527 -0.001 0.000 0.298 589 F C 1.660 177.544 175.800 0.140 0.000 1.104 589 F CA 2.194 60.246 58.000 0.087 0.000 1.232 589 F CB -0.269 38.755 39.000 0.041 0.000 0.987 589 F HN 0.247 nan 8.300 nan 0.000 0.475 590 D N 0.259 120.743 120.400 0.139 0.000 2.218 590 D HA -0.158 4.482 4.640 -0.001 0.000 0.204 590 D C 2.010 178.297 176.300 -0.022 0.000 0.976 590 D CA 1.215 55.244 54.000 0.048 0.000 0.853 590 D CB -0.312 40.575 40.800 0.145 0.000 0.939 590 D HN 0.380 nan 8.370 nan 0.000 0.481 591 K N 0.113 120.522 120.400 0.015 0.000 2.432 591 K HA 0.003 4.323 4.320 -0.001 0.000 0.196 591 K C 0.654 177.253 176.600 -0.002 0.000 1.038 591 K CA 0.145 56.448 56.287 0.027 0.000 0.986 591 K CB 0.287 32.836 32.500 0.081 0.000 0.782 591 K HN 0.137 nan 8.250 nan 0.000 0.485 592 Q N 1.785 121.554 119.800 -0.052 0.000 2.417 592 Q HA -0.012 4.327 4.340 -0.001 0.000 0.241 592 Q C -0.096 175.884 176.000 -0.034 0.000 1.008 592 Q CA 0.077 55.854 55.803 -0.044 0.000 0.901 592 Q CB 0.444 29.175 28.738 -0.011 0.000 1.259 592 Q HN 0.251 nan 8.270 nan 0.000 0.489 593 D N -0.778 119.631 120.400 0.016 0.000 2.371 593 D HA 0.124 4.763 4.640 -0.001 0.000 0.242 593 D C 0.648 176.962 176.300 0.023 0.000 1.218 593 D CA 0.159 54.172 54.000 0.020 0.000 0.945 593 D CB 0.496 41.315 40.800 0.032 0.000 1.137 593 D HN 0.431 nan 8.370 nan 0.000 0.464 594 A N 1.091 123.918 122.820 0.013 0.000 1.908 594 A HA -0.031 4.288 4.320 -0.001 0.000 0.218 594 A C 2.232 179.830 177.584 0.024 0.000 1.181 594 A CA 2.768 54.809 52.037 0.007 0.000 0.627 594 A CB -1.281 17.726 19.000 0.010 0.000 0.818 594 A HN 0.763 nan 8.150 nan 0.000 0.445 595 A N -1.471 121.378 122.820 0.048 0.000 1.883 595 A HA -0.152 4.168 4.320 -0.001 0.000 0.217 595 A C 2.174 179.807 177.584 0.081 0.000 1.186 595 A CA 1.795 53.868 52.037 0.061 0.000 0.624 595 A CB -0.878 18.165 19.000 0.071 0.000 0.822 595 A HN 0.749 nan 8.150 nan 0.000 0.444 596 Y N 0.569 120.872 120.300 0.005 0.000 2.145 596 Y HA -0.197 4.352 4.550 -0.001 0.000 0.286 596 Y C 2.536 178.458 175.900 0.037 0.000 1.145 596 Y CA 2.067 60.182 58.100 0.024 0.000 1.148 596 Y CB -0.306 38.160 38.460 0.011 0.000 0.981 596 Y HN 0.259 nan 8.280 nan 0.000 0.507 597 R N -0.206 120.227 120.500 -0.111 0.000 2.081 597 R HA -0.207 4.132 4.340 -0.001 0.000 0.235 597 R C 2.162 178.464 176.300 0.002 0.000 1.131 597 R CA 1.587 57.592 56.100 -0.159 0.000 0.960 597 R CB -0.396 29.745 30.300 -0.265 0.000 0.856 597 R HN 0.325 nan 8.270 nan 0.000 0.436 598 E N 1.100 121.293 120.200 -0.011 0.000 2.118 598 E HA -0.180 4.170 4.350 -0.001 0.000 0.195 598 E C 1.848 178.438 176.600 -0.017 0.000 0.992 598 E CA 2.015 58.421 56.400 0.010 0.000 0.804 598 E CB -0.118 29.591 29.700 0.015 0.000 0.741 598 E HN 0.284 nan 8.360 nan 0.000 0.458 599 S N -0.947 114.708 115.700 -0.075 0.000 2.399 599 S HA -0.111 4.358 4.470 -0.001 0.000 0.231 599 S C 2.008 176.544 174.600 -0.107 0.000 1.022 599 S CA 1.270 59.418 58.200 -0.087 0.000 0.983 599 S CB -0.420 62.722 63.200 -0.096 0.000 0.803 599 S HN 0.143 nan 8.310 nan 0.000 0.480 600 V N 0.883 120.705 119.914 -0.153 0.000 2.426 600 V HA 0.310 4.430 4.120 -0.001 0.000 0.242 600 V C 1.118 177.197 176.094 -0.025 0.000 1.036 600 V CA 0.868 63.111 62.300 -0.095 0.000 1.044 600 V CB -0.464 31.324 31.823 -0.059 0.000 0.688 600 V HN 0.456 nan 8.190 nan 0.000 0.462 601 L N 3.064 124.321 121.223 0.057 0.000 2.502 601 L HA 0.365 4.705 4.340 -0.001 0.000 0.247 601 L C -2.522 174.389 176.870 0.068 0.000 1.180 601 L CA -1.493 53.388 54.840 0.068 0.000 0.956 601 L CB 1.247 43.397 42.059 0.151 0.000 1.282 601 L HN 0.185 nan 8.230 nan 0.000 0.470 602 P HA -0.006 nan 4.420 nan 0.000 0.265 602 P C 0.417 177.740 177.300 0.039 0.000 1.193 602 P CA -0.162 62.956 63.100 0.030 0.000 0.765 602 P CB 0.760 32.470 31.700 0.017 0.000 0.823 603 K N 2.517 122.942 120.400 0.041 0.000 2.280 603 K HA -0.119 4.200 4.320 -0.001 0.000 0.202 603 K C 1.622 178.244 176.600 0.037 0.000 1.047 603 K CA 1.408 57.721 56.287 0.043 0.000 0.942 603 K CB -0.736 31.787 32.500 0.038 0.000 0.739 603 K HN 0.311 nan 8.250 nan 0.000 0.457 604 A N 1.613 124.452 122.820 0.031 0.000 2.015 604 A HA 0.046 4.366 4.320 -0.001 0.000 0.219 604 A C 0.983 178.586 177.584 0.032 0.000 1.163 604 A CA 0.619 52.673 52.037 0.029 0.000 0.646 604 A CB -0.086 18.928 19.000 0.023 0.000 0.806 604 A HN 0.130 nan 8.150 nan 0.000 0.448 605 V N 1.370 121.300 119.914 0.026 0.000 2.348 605 V HA 0.230 4.350 4.120 -0.001 0.000 0.270 605 V C 1.322 177.430 176.094 0.023 0.000 1.037 605 V CA 0.475 62.783 62.300 0.013 0.000 0.872 605 V CB 0.695 32.513 31.823 -0.009 0.000 1.002 605 V HN 0.605 nan 8.190 nan 0.000 0.464 606 T N 1.148 115.731 114.554 0.050 0.000 3.015 606 T HA 0.205 4.554 4.350 -0.001 0.000 0.250 606 T C 1.016 175.756 174.700 0.067 0.000 1.057 606 T CA 0.570 62.732 62.100 0.103 0.000 1.066 606 T CB 0.303 69.286 68.868 0.193 0.000 0.959 606 T HN 0.658 nan 8.240 nan 0.000 0.488 607 A N 2.350 125.095 122.820 -0.126 0.000 2.906 607 A HA 0.525 4.844 4.320 -0.001 0.000 0.289 607 A C 0.181 177.614 177.584 -0.252 0.000 1.675 607 A CA -0.610 51.197 52.037 -0.383 0.000 1.372 607 A CB -0.534 18.065 19.000 -0.669 0.000 1.091 607 A HN 0.503 nan 8.150 nan 0.000 0.579 608 R N 0.920 121.324 120.500 -0.159 0.000 2.494 608 R HA 0.571 4.911 4.340 -0.001 0.000 0.305 608 R C -1.348 174.845 176.300 -0.180 0.000 0.959 608 R CA -0.625 55.380 56.100 -0.159 0.000 0.864 608 R CB 2.345 32.613 30.300 -0.054 0.000 1.159 608 R HN 0.291 nan 8.270 nan 0.000 0.446 609 V N 2.492 122.252 119.914 -0.257 0.000 2.376 609 V HA 0.437 4.557 4.120 -0.001 0.000 0.287 609 V C 0.009 176.015 176.094 -0.146 0.000 1.015 609 V CA -0.898 61.280 62.300 -0.204 0.000 0.834 609 V CB 1.468 33.132 31.823 -0.265 0.000 1.001 609 V HN 0.925 nan 8.190 nan 0.000 0.428 610 A N 4.959 127.660 122.820 -0.198 0.000 2.363 610 A HA 0.776 5.096 4.320 -0.001 0.000 0.270 610 A C -0.398 176.977 177.584 -0.350 0.000 1.121 610 A CA -0.323 51.462 52.037 -0.420 0.000 0.800 610 A CB 0.841 19.473 19.000 -0.615 0.000 1.052 610 A HN 0.787 nan 8.150 nan 0.000 0.493 611 V N 2.501 122.181 119.914 -0.389 0.000 2.482 611 V HA 0.651 4.771 4.120 -0.001 0.000 0.295 611 V C -0.365 175.601 176.094 -0.214 0.000 1.026 611 V CA -0.351 61.845 62.300 -0.173 0.000 0.856 611 V CB 1.035 32.824 31.823 -0.056 0.000 1.001 611 V HN 1.041 nan 8.190 nan 0.000 0.424 612 E N 3.524 123.703 120.200 -0.036 0.000 2.388 612 E HA 0.599 4.949 4.350 -0.001 0.000 0.289 612 E C -0.668 175.985 176.600 0.088 0.000 0.944 612 E CA -0.635 55.753 56.400 -0.020 0.000 0.792 612 E CB 1.931 31.636 29.700 0.007 0.000 1.239 612 E HN 0.802 nan 8.360 nan 0.000 0.412 613 A N 3.317 126.016 122.820 -0.201 0.000 3.051 613 A HA 0.575 4.894 4.320 -0.001 0.000 0.257 613 A C 0.251 177.789 177.584 -0.076 0.000 1.785 613 A CA 0.760 52.567 52.037 -0.383 0.000 1.420 613 A CB -0.572 18.067 19.000 -0.601 0.000 1.063 613 A HN 0.534 nan 8.150 nan 0.000 0.630 614 G N -0.543 108.308 108.800 0.085 0.000 2.645 614 G HA2 0.475 4.434 3.960 -0.001 0.000 0.292 614 G HA3 0.475 4.434 3.960 -0.001 0.000 0.292 614 G C -0.841 174.157 174.900 0.162 0.000 1.415 614 G CA -0.803 44.353 45.100 0.094 0.000 0.785 614 G HN 0.309 nan 8.290 nan 0.000 0.483 615 I N 1.374 122.013 120.570 0.116 0.000 2.752 615 I HA 0.325 4.495 4.170 -0.001 0.000 0.289 615 I C 1.720 177.982 176.117 0.242 0.000 1.197 615 I CA 0.702 62.073 61.300 0.118 0.000 1.432 615 I CB 1.219 39.254 38.000 0.059 0.000 1.359 615 I HN 0.699 nan 8.210 nan 0.000 0.571 616 A N 5.060 128.007 122.820 0.213 0.000 1.930 616 A HA -0.131 4.189 4.320 -0.001 0.000 0.217 616 A C 1.826 179.573 177.584 0.272 0.000 1.175 616 A CA 1.491 53.682 52.037 0.257 0.000 0.627 616 A CB -0.568 18.515 19.000 0.138 0.000 0.815 616 A HN 0.806 nan 8.150 nan 0.000 0.443 617 D N -1.585 118.966 120.400 0.252 0.000 2.221 617 D HA -0.183 4.457 4.640 -0.001 0.000 0.204 617 D C 1.490 177.953 176.300 0.270 0.000 0.982 617 D CA 1.291 55.490 54.000 0.332 0.000 0.857 617 D CB -0.397 40.529 40.800 0.210 0.000 0.934 617 D HN 0.632 nan 8.370 nan 0.000 0.475 618 Y N -0.487 119.844 120.300 0.053 0.000 2.151 618 Y HA -0.240 4.310 4.550 -0.000 0.000 0.284 618 Y C 1.637 177.416 175.900 -0.202 0.000 1.166 618 Y CA 1.578 59.584 58.100 -0.157 0.000 1.163 618 Y CB -0.545 37.690 38.460 -0.376 0.000 0.974 618 Y HN 0.017 nan 8.280 nan 0.000 0.511 619 W N -1.510 119.786 121.300 -0.006 0.000 2.937 619 W HA -0.052 4.607 4.660 -0.001 0.000 0.245 619 W C 1.527 177.947 176.519 -0.165 0.000 1.306 619 W CA 0.403 57.717 57.345 -0.052 0.000 1.470 619 W CB -0.563 28.914 29.460 0.028 0.000 1.132 619 W HN 0.086 nan 8.180 nan 0.000 0.675 620 Y N 0.849 121.157 120.300 0.014 0.000 2.315 620 Y HA -0.288 4.262 4.550 -0.001 0.000 0.288 620 Y C 2.436 178.249 175.900 -0.145 0.000 1.154 620 Y CA 1.718 59.796 58.100 -0.036 0.000 1.229 620 Y CB -0.704 37.718 38.460 -0.063 0.000 0.980 620 Y HN -0.031 nan 8.280 nan 0.000 0.540 621 K N -0.516 119.747 120.400 -0.229 0.000 2.113 621 K HA -0.238 4.081 4.320 -0.001 0.000 0.208 621 K C 1.025 177.333 176.600 -0.486 0.000 1.047 621 K CA 2.015 58.008 56.287 -0.490 0.000 0.928 621 K CB -0.283 31.663 32.500 -0.922 0.000 0.716 621 K HN 0.352 nan 8.250 nan 0.000 0.446 622 Y N -1.100 119.217 120.300 0.027 0.000 2.507 622 Y HA 0.036 4.585 4.550 -0.001 0.000 0.263 622 Y C 1.794 177.753 175.900 0.097 0.000 1.093 622 Y CA 0.253 58.421 58.100 0.113 0.000 1.285 622 Y CB 0.590 39.184 38.460 0.223 0.000 1.115 622 Y HN -0.001 nan 8.280 nan 0.000 0.533 623 V N -2.962 117.078 119.914 0.210 0.000 3.471 623 V HA 0.577 4.697 4.120 -0.001 0.000 0.258 623 V C 1.208 177.359 176.094 0.096 0.000 1.192 623 V CA 0.451 62.817 62.300 0.110 0.000 1.116 623 V CB -0.572 31.271 31.823 0.033 0.000 0.792 623 V HN 0.397 nan 8.190 nan 0.000 0.459 624 G N 1.107 109.978 108.800 0.119 0.000 2.601 624 G HA2 -0.287 3.673 3.960 -0.001 0.000 0.252 624 G HA3 -0.287 3.673 3.960 -0.001 0.000 0.252 624 G C 0.141 175.170 174.900 0.214 0.000 1.294 624 G CA 0.283 45.466 45.100 0.138 0.000 0.912 624 G HN 0.581 nan 8.290 nan 0.000 0.574 625 L N 0.749 122.067 121.223 0.157 0.000 2.592 625 L HA 0.259 4.598 4.340 -0.001 0.000 0.227 625 L C 1.482 178.427 176.870 0.125 0.000 1.127 625 L CA 0.284 55.220 54.840 0.161 0.000 0.884 625 L CB -0.064 42.043 42.059 0.079 0.000 1.065 625 L HN 0.459 nan 8.230 nan 0.000 0.457 626 N N 0.129 118.901 118.700 0.121 0.000 2.351 626 N HA 0.206 4.946 4.740 -0.001 0.000 0.254 626 N C 0.415 176.069 175.510 0.239 0.000 1.241 626 N CA 0.124 53.258 53.050 0.140 0.000 0.883 626 N CB 1.625 40.157 38.487 0.075 0.000 1.202 626 N HN 0.213 nan 8.380 nan 0.000 0.512 627 G N -0.007 108.869 108.800 0.126 0.000 3.122 627 G HA2 0.813 4.772 3.960 -0.001 0.000 0.180 627 G HA3 0.813 4.772 3.960 -0.001 0.000 0.180 627 G C -1.226 173.670 174.900 -0.007 0.000 1.279 627 G CA -0.382 44.749 45.100 0.052 0.000 0.987 627 G HN 0.185 nan 8.290 nan 0.000 0.589 628 A N -1.220 121.558 122.820 -0.070 0.000 2.587 628 A HA 0.765 5.085 4.320 -0.001 0.000 0.293 628 A C -1.493 176.019 177.584 -0.120 0.000 1.087 628 A CA -0.511 51.473 52.037 -0.088 0.000 0.692 628 A CB 1.332 20.285 19.000 -0.079 0.000 1.291 628 A HN 0.606 nan 8.150 nan 0.000 0.407 629 I N 1.186 121.684 120.570 -0.120 0.000 2.478 629 I HA 0.348 4.518 4.170 -0.001 0.000 0.287 629 I C -0.935 175.127 176.117 -0.090 0.000 1.042 629 I CA -0.802 60.425 61.300 -0.121 0.000 1.067 629 I CB 2.245 40.167 38.000 -0.129 0.000 1.233 629 I HN 0.279 nan 8.210 nan 0.000 0.431 630 V N 5.921 125.779 119.914 -0.094 0.000 2.270 630 V HA 0.666 4.786 4.120 -0.001 0.000 0.263 630 V C 0.601 176.683 176.094 -0.020 0.000 1.066 630 V CA -0.032 62.196 62.300 -0.119 0.000 0.857 630 V CB 0.313 32.059 31.823 -0.128 0.000 1.099 630 V HN 0.961 nan 8.190 nan 0.000 0.476 631 G N 4.108 112.917 108.800 0.016 0.000 3.021 631 G HA2 0.679 4.638 3.960 -0.001 0.000 0.290 631 G HA3 0.679 4.638 3.960 -0.001 0.000 0.290 631 G C -1.035 174.010 174.900 0.242 0.000 1.291 631 G CA -0.850 44.396 45.100 0.243 0.000 0.834 631 G HN 0.232 nan 8.290 nan 0.000 0.564 632 M N 1.293 121.032 119.600 0.232 0.000 2.363 632 M HA 0.379 4.859 4.480 -0.001 0.000 0.343 632 M C 0.708 177.029 176.300 0.034 0.000 1.165 632 M CA -0.360 54.993 55.300 0.089 0.000 1.046 632 M CB 1.228 33.815 32.600 -0.022 0.000 1.648 632 M HN 0.713 nan 8.290 nan 0.000 0.452 633 T N -2.804 111.751 114.554 0.001 0.000 3.058 633 T HA 0.227 4.577 4.350 -0.001 0.000 0.278 633 T C 0.415 175.065 174.700 -0.083 0.000 0.974 633 T CA -0.046 62.046 62.100 -0.015 0.000 0.893 633 T CB -0.046 68.838 68.868 0.025 0.000 1.138 633 T HN 0.732 nan 8.240 nan 0.000 0.529 634 T N -0.769 113.713 114.554 -0.119 0.000 2.838 634 T HA 0.744 5.094 4.350 -0.001 0.000 0.292 634 T C -0.663 173.882 174.700 -0.257 0.000 1.113 634 T CA -0.879 61.126 62.100 -0.158 0.000 1.008 634 T CB 0.901 69.815 68.868 0.077 0.000 1.259 634 T HN -0.023 nan 8.240 nan 0.000 0.520 635 F N 0.876 120.828 119.950 0.003 0.000 2.485 635 F HA 0.523 5.050 4.527 -0.001 0.000 0.327 635 F C 1.782 177.553 175.800 -0.047 0.000 1.203 635 F CA 0.614 58.600 58.000 -0.023 0.000 1.295 635 F CB -0.037 38.974 39.000 0.019 0.000 1.191 635 F HN 0.984 nan 8.300 nan 0.000 0.588 636 G N -0.205 108.684 108.800 0.150 0.000 2.489 636 G HA2 0.446 4.406 3.960 -0.001 0.000 0.271 636 G HA3 0.446 4.406 3.960 -0.001 0.000 0.271 636 G C -0.785 174.269 174.900 0.257 0.000 1.427 636 G CA -0.374 44.770 45.100 0.073 0.000 1.057 636 G HN 0.465 nan 8.290 nan 0.000 0.532 637 E N -1.437 118.911 120.200 0.247 0.000 2.390 637 E HA 0.311 4.661 4.350 -0.001 0.000 0.277 637 E C -1.173 175.481 176.600 0.091 0.000 0.939 637 E CA -0.714 55.792 56.400 0.177 0.000 0.769 637 E CB 1.821 31.633 29.700 0.186 0.000 1.251 637 E HN 0.309 nan 8.360 nan 0.000 0.450 638 S N 0.655 116.384 115.700 0.048 0.000 2.405 638 S HA 0.620 5.089 4.470 -0.001 0.000 0.291 638 S C -0.666 173.938 174.600 0.007 0.000 1.137 638 S CA 0.144 58.352 58.200 0.012 0.000 1.061 638 S CB -0.499 62.701 63.200 -0.000 0.000 1.001 638 S HN 0.558 nan 8.310 nan 0.000 0.507 639 A N 6.025 128.844 122.820 -0.002 0.000 2.566 639 A HA 0.726 5.045 4.320 -0.001 0.000 0.290 639 A C -3.239 174.334 177.584 -0.019 0.000 1.071 639 A CA -1.396 50.636 52.037 -0.008 0.000 0.658 639 A CB 0.456 19.453 19.000 -0.004 0.000 1.285 639 A HN 0.537 nan 8.150 nan 0.000 0.427 640 P HA 0.232 nan 4.420 nan 0.000 0.264 640 P C 1.028 178.315 177.300 -0.022 0.000 1.183 640 P CA 0.990 64.084 63.100 -0.010 0.000 0.763 640 P CB 0.755 32.458 31.700 0.005 0.000 0.807 641 A N 4.970 127.767 122.820 -0.038 0.000 1.917 641 A HA -0.253 4.067 4.320 -0.001 0.000 0.219 641 A C 1.941 179.522 177.584 -0.004 0.000 1.182 641 A CA 1.906 53.879 52.037 -0.106 0.000 0.633 641 A CB -1.035 17.935 19.000 -0.050 0.000 0.819 641 A HN 0.677 nan 8.150 nan 0.000 0.448 642 E N 0.583 120.854 120.200 0.118 0.000 2.110 642 E HA -0.183 4.167 4.350 -0.001 0.000 0.193 642 E C 1.950 178.641 176.600 0.152 0.000 0.988 642 E CA 1.438 57.960 56.400 0.202 0.000 0.804 642 E CB -0.702 29.078 29.700 0.132 0.000 0.745 642 E HN 0.647 nan 8.360 nan 0.000 0.458 643 L N 0.376 121.642 121.223 0.071 0.000 2.156 643 L HA -0.061 4.279 4.340 -0.001 0.000 0.208 643 L C 2.828 179.720 176.870 0.037 0.000 1.095 643 L CA 0.652 55.518 54.840 0.044 0.000 0.770 643 L CB -0.429 41.637 42.059 0.011 0.000 0.914 643 L HN 0.078 nan 8.230 nan 0.000 0.439 644 L N -1.284 119.951 121.223 0.019 0.000 2.056 644 L HA -0.197 4.142 4.340 -0.001 0.000 0.207 644 L C 2.593 179.581 176.870 0.198 0.000 1.078 644 L CA 1.230 56.106 54.840 0.060 0.000 0.749 644 L CB -0.547 41.502 42.059 -0.016 0.000 0.901 644 L HN 0.101 nan 8.230 nan 0.000 0.433 645 F N 0.558 120.645 119.950 0.230 0.000 2.126 645 F HA -0.249 4.278 4.527 -0.001 0.000 0.299 645 F C 2.639 178.599 175.800 0.266 0.000 1.096 645 F CA 1.711 59.892 58.000 0.301 0.000 1.255 645 F CB -0.580 38.522 39.000 0.170 0.000 0.997 645 F HN 0.169 nan 8.300 nan 0.000 0.479 646 E N 0.318 120.701 120.200 0.304 0.000 2.031 646 E HA -0.294 4.056 4.350 -0.001 0.000 0.193 646 E C 2.187 178.827 176.600 0.066 0.000 0.994 646 E CA 1.478 57.969 56.400 0.152 0.000 0.800 646 E CB -0.161 29.590 29.700 0.086 0.000 0.752 646 E HN 0.341 nan 8.360 nan 0.000 0.447 647 E N -0.279 119.911 120.200 -0.017 0.000 2.097 647 E HA -0.197 4.153 4.350 -0.001 0.000 0.196 647 E C 1.186 177.618 176.600 -0.281 0.000 1.000 647 E CA 1.536 57.797 56.400 -0.230 0.000 0.804 647 E CB -0.276 29.160 29.700 -0.441 0.000 0.740 647 E HN 0.340 nan 8.360 nan 0.000 0.454 648 F N -0.883 119.129 119.950 0.104 0.000 2.732 648 F HA 0.355 4.881 4.527 -0.001 0.000 0.303 648 F C 1.543 177.254 175.800 -0.150 0.000 1.110 648 F CA 0.537 58.584 58.000 0.079 0.000 1.355 648 F CB 0.809 39.971 39.000 0.270 0.000 1.081 648 F HN 0.220 nan 8.300 nan 0.000 0.565 649 G N -0.278 108.521 108.800 -0.003 0.000 2.141 649 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.242 649 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.242 649 G C 0.167 174.882 174.900 -0.307 0.000 0.982 649 G CA -0.482 44.510 45.100 -0.181 0.000 0.662 649 G HN 0.218 nan 8.290 nan 0.000 0.527 650 F N 2.738 122.784 119.950 0.161 0.000 2.640 650 F HA 0.487 5.014 4.527 -0.001 0.000 0.354 650 F C 1.249 177.066 175.800 0.028 0.000 1.213 650 F CA 0.502 58.564 58.000 0.104 0.000 1.314 650 F CB 0.208 39.332 39.000 0.207 0.000 1.679 650 F HN 0.269 nan 8.300 nan 0.000 0.622 651 T N -3.837 110.759 114.554 0.071 0.000 2.906 651 T HA 0.422 4.772 4.350 -0.001 0.000 0.295 651 T C 0.819 175.510 174.700 -0.015 0.000 1.061 651 T CA -0.771 61.346 62.100 0.029 0.000 1.000 651 T CB 1.674 70.556 68.868 0.023 0.000 1.103 651 T HN -0.102 nan 8.240 nan 0.000 0.486 652 V N 1.366 121.262 119.914 -0.030 0.000 2.287 652 V HA -0.161 3.958 4.120 -0.001 0.000 0.248 652 V C 2.394 178.467 176.094 -0.035 0.000 1.053 652 V CA 2.157 64.427 62.300 -0.050 0.000 1.027 652 V CB -0.808 30.983 31.823 -0.053 0.000 0.646 652 V HN 0.889 nan 8.190 nan 0.000 0.447 653 D N 0.102 120.488 120.400 -0.024 0.000 2.104 653 D HA -0.181 4.459 4.640 -0.001 0.000 0.194 653 D C 2.085 178.373 176.300 -0.020 0.000 0.994 653 D CA 1.786 55.775 54.000 -0.019 0.000 0.830 653 D CB -0.474 40.316 40.800 -0.017 0.000 0.959 653 D HN 0.498 nan 8.370 nan 0.000 0.452 654 N N 0.054 118.737 118.700 -0.028 0.000 2.142 654 N HA -0.117 4.623 4.740 -0.001 0.000 0.186 654 N C 1.694 177.185 175.510 -0.031 0.000 1.023 654 N CA 0.805 53.831 53.050 -0.040 0.000 0.852 654 N CB -0.063 38.384 38.487 -0.067 0.000 0.998 654 N HN -0.061 nan 8.380 nan 0.000 0.424 655 V N -0.110 119.788 119.914 -0.027 0.000 2.295 655 V HA -0.192 3.927 4.120 -0.001 0.000 0.246 655 V C 2.315 178.457 176.094 0.081 0.000 1.049 655 V CA 1.422 63.731 62.300 0.016 0.000 1.024 655 V CB -0.580 31.228 31.823 -0.024 0.000 0.648 655 V HN 0.182 nan 8.190 nan 0.000 0.447 656 V N 0.373 120.313 119.914 0.044 0.000 2.287 656 V HA -0.292 3.827 4.120 -0.001 0.000 0.248 656 V C 2.733 178.857 176.094 0.050 0.000 1.053 656 V CA 2.156 64.497 62.300 0.070 0.000 1.027 656 V CB -1.221 30.617 31.823 0.025 0.000 0.646 656 V HN 0.567 nan 8.190 nan 0.000 0.447 657 A N -0.375 122.454 122.820 0.016 0.000 1.883 657 A HA -0.214 4.106 4.320 -0.001 0.000 0.217 657 A C 2.291 179.874 177.584 -0.002 0.000 1.186 657 A CA 1.761 53.798 52.037 -0.000 0.000 0.624 657 A CB -0.416 18.574 19.000 -0.016 0.000 0.822 657 A HN 0.434 nan 8.150 nan 0.000 0.444 658 K N -0.183 120.216 120.400 -0.001 0.000 2.097 658 K HA -0.005 4.315 4.320 -0.001 0.000 0.205 658 K C 2.278 178.869 176.600 -0.014 0.000 1.050 658 K CA 1.235 57.514 56.287 -0.013 0.000 0.938 658 K CB -0.738 31.747 32.500 -0.024 0.000 0.718 658 K HN 0.456 nan 8.250 nan 0.000 0.442 659 A N 2.019 124.849 122.820 0.016 0.000 1.877 659 A HA -0.179 4.140 4.320 -0.001 0.000 0.216 659 A C 2.116 179.672 177.584 -0.047 0.000 1.186 659 A CA 1.595 53.610 52.037 -0.037 0.000 0.620 659 A CB -0.302 18.730 19.000 0.052 0.000 0.822 659 A HN 0.250 nan 8.150 nan 0.000 0.443 660 K N -0.637 119.763 120.400 -0.000 0.000 2.057 660 K HA -0.159 4.161 4.320 -0.001 0.000 0.206 660 K C 2.138 178.750 176.600 0.020 0.000 1.050 660 K CA 1.366 57.659 56.287 0.009 0.000 0.935 660 K CB -0.145 32.370 32.500 0.025 0.000 0.715 660 K HN 0.718 nan 8.250 nan 0.000 0.439 661 E N 1.197 121.403 120.200 0.010 0.000 2.085 661 E HA -0.231 4.118 4.350 -0.001 0.000 0.194 661 E C 2.073 178.711 176.600 0.064 0.000 0.994 661 E CA 0.897 57.313 56.400 0.027 0.000 0.801 661 E CB -0.004 29.692 29.700 -0.007 0.000 0.743 661 E HN 0.101 nan 8.360 nan 0.000 0.453 662 L N 1.023 122.255 121.223 0.013 0.000 1.989 662 L HA -0.194 4.146 4.340 -0.001 0.000 0.211 662 L C 2.267 179.146 176.870 0.016 0.000 1.071 662 L CA 1.679 56.537 54.840 0.031 0.000 0.749 662 L CB -0.511 41.507 42.059 -0.068 0.000 0.890 662 L HN 0.249 nan 8.230 nan 0.000 0.431 663 L N -1.303 119.835 121.223 -0.143 0.000 2.083 663 L HA -0.252 4.088 4.340 -0.001 0.000 0.209 663 L C 2.699 179.246 176.870 -0.539 0.000 1.083 663 L CA 1.457 56.063 54.840 -0.389 0.000 0.752 663 L CB -0.976 40.901 42.059 -0.303 0.000 0.899 663 L HN 0.497 nan 8.230 nan 0.000 0.433 664 H N -0.549 118.391 119.070 -0.217 0.000 2.319 664 H HA -0.250 4.305 4.556 -0.000 0.000 0.299 664 H C 2.278 177.601 175.328 -0.009 0.000 1.092 664 H CA 2.097 58.105 56.048 -0.066 0.000 1.302 664 H CB -0.061 29.714 29.762 0.022 0.000 1.373 664 H HN 0.425 nan 8.280 nan 0.000 0.497 665 H N -0.046 119.062 119.070 0.063 0.000 2.353 665 H HA -0.127 4.429 4.556 -0.001 0.000 0.300 665 H C 2.079 177.394 175.328 -0.023 0.000 1.090 665 H CA 1.470 57.542 56.048 0.041 0.000 1.327 665 H CB -0.086 29.716 29.762 0.066 0.000 1.383 665 H HN 0.548 nan 8.280 nan 0.000 0.508 666 H N -0.241 118.726 119.070 -0.172 0.000 2.387 666 H HA -0.069 4.487 4.556 -0.001 0.000 0.299 666 H C 0.545 175.792 175.328 -0.135 0.000 1.090 666 H CA 0.835 56.771 56.048 -0.186 0.000 1.332 666 H CB 0.071 29.739 29.762 -0.157 0.000 1.386 666 H HN 0.570 nan 8.280 nan 0.000 0.516 667 H N 0.000 119.056 119.070 -0.024 0.000 2.539 667 H HA 0.000 4.555 4.556 -0.001 0.000 0.296 667 H CA 0.000 55.988 56.048 -0.100 0.000 1.023 667 H CB 0.000 29.686 29.762 -0.126 0.000 1.292 667 H HN 0.000 nan 8.280 nan 0.000 0.496