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 1b0l_1_A DATA FIRST_RESID 1 DATA SEQUENCE GRRRSVQWcT VSQPEATKcF QWQRNMRKVR GPPVScIKRD SPIQcIQAIA DATA SEQUENCE ENRADAVTLD GGFIYEAGLA PYKLRPVAAE VYGTERQPRT HYYAVAVVKK DATA SEQUENCE GGSFQLNELQ GLKScHTGLR RTAGWNVPIG TLRPFLNWTG PPEPIEAAVA DATA SEQUENCE RFFSAScVPG ADKGQFPNLc RLcAGTGENK cAFSSQEPYF SYSGAFKcLR DATA SEQUENCE DGAGDVAFIR ESTVFEDLSD EAERDEYELL cPDNTRKPVD KFKDcHLARV DATA SEQUENCE PSHAVVARSV NGKEDAIWNL LRQAQEKFGK DKSPKFQLFG SPSGQKDLLF DATA SEQUENCE KDSAIGFSRV PPRIDSGLYL GSGYFTAIQN LRKSEEEVAA RRARVVWcAV DATA SEQUENCE GEQELRKcNQ WSGLSEGSVT cSSASTTEDc IALVLKGEAD AMSLDGGYVY DATA SEQUENCE TAGKcGLVPV LAENYKSQQS SDPDPNcVDR PVEGYLAVAV VRRSDTSLTW DATA SEQUENCE NSVKGKKScH TAVDRTAGWN IPMGLLFNQT GScKFDEYFS QScAPGSDPR DATA SEQUENCE SNLcALcIGD EQGENKcVPN SNERYYGYTG AFRcLAENAG DVAFVKDVTV DATA SEQUENCE LQNTDGNNNE AWAKDLKLAD FALLcLDGKR KPVTEARScH LAMAPNHAVV DATA SEQUENCE SRMDKVERLK QVLLHQQAKF GRNGSDcPDK FcLFQSETKN LLFNDNTEcL DATA SEQUENCE ARLHGKTTYE KYLGPQYVAG ITNLKKcSTS PLLEAcEFLR K 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 1 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.971 3.960 0.018 0.000 0.244 1 G C 0.000 174.898 174.900 -0.004 0.000 0.946 1 G CA 0.000 45.098 45.100 -0.003 0.000 0.502 2 R N 0.150 120.649 120.500 -0.002 0.000 2.210 2 R HA 0.186 4.537 4.340 0.018 0.000 0.203 2 R C 1.139 177.439 176.300 -0.001 0.000 1.010 2 R CA -0.134 55.964 56.100 -0.003 0.000 1.008 2 R CB 0.416 30.716 30.300 -0.000 0.000 0.923 2 R HN 0.261 nan 8.270 nan 0.000 0.469 3 R N 1.224 121.724 120.500 0.002 0.000 2.702 3 R HA 0.205 4.556 4.340 0.018 0.000 0.314 3 R C 0.746 177.044 176.300 -0.004 0.000 1.152 3 R CA -0.240 55.862 56.100 0.003 0.000 1.097 3 R CB 0.292 30.597 30.300 0.008 0.000 1.343 3 R HN -0.031 nan 8.270 nan 0.000 0.575 4 R N -0.102 120.394 120.500 -0.007 0.000 2.062 4 R HA 0.062 4.413 4.340 0.018 0.000 0.231 4 R C 0.488 176.778 176.300 -0.017 0.000 1.136 4 R CA 0.991 57.084 56.100 -0.011 0.000 0.948 4 R CB 0.101 30.394 30.300 -0.010 0.000 0.845 4 R HN 0.002 nan 8.270 nan 0.000 0.430 5 S N -1.545 114.144 115.700 -0.019 0.000 2.579 5 S HA 0.293 4.774 4.470 0.018 0.000 0.290 5 S C -1.623 172.962 174.600 -0.025 0.000 1.123 5 S CA -0.849 57.333 58.200 -0.029 0.000 0.894 5 S CB 1.040 64.221 63.200 -0.032 0.000 1.095 5 S HN -0.110 nan 8.310 nan 0.000 0.450 6 V N 5.713 125.609 119.914 -0.029 0.000 2.432 6 V HA 0.358 4.489 4.120 0.018 0.000 0.271 6 V C 0.061 176.157 176.094 0.004 0.000 1.046 6 V CA -0.236 62.063 62.300 -0.002 0.000 0.945 6 V CB 1.335 33.188 31.823 0.049 0.000 0.992 6 V HN 0.798 nan 8.190 nan 0.000 0.471 7 Q N 5.104 124.900 119.800 -0.007 0.000 2.406 7 Q HA 0.176 4.527 4.340 0.018 0.000 0.242 7 Q C -0.606 175.402 176.000 0.014 0.000 1.036 7 Q CA -0.185 55.618 55.803 0.001 0.000 0.904 7 Q CB 1.273 29.997 28.738 -0.023 0.000 1.244 7 Q HN 0.737 nan 8.270 nan 0.000 0.478 8 W N 3.187 124.429 121.300 -0.097 0.000 2.322 8 W HA 0.183 4.853 4.660 0.017 0.000 0.307 8 W C -0.370 176.109 176.519 -0.066 0.000 1.220 8 W CA -0.981 56.330 57.345 -0.056 0.000 1.210 8 W CB 1.422 30.871 29.460 -0.019 0.000 1.223 8 W HN 0.568 nan 8.180 nan 0.000 0.511 9 c N 6.717 125.307 118.600 -0.018 0.000 2.415 9 c HA 0.475 5.056 4.570 0.018 0.000 0.369 9 c C 0.884 175.034 174.090 0.101 0.000 1.279 9 c CA 0.064 56.395 56.329 0.004 0.000 1.886 9 c CB -0.668 41.787 42.510 -0.092 0.000 2.468 9 c HN 0.654 nan 8.230 nan 0.000 0.553 10 T N 2.688 117.276 114.554 0.056 0.000 2.944 10 T HA 0.535 4.897 4.350 0.018 0.000 0.284 10 T C 0.451 175.155 174.700 0.006 0.000 1.010 10 T CA -0.261 61.864 62.100 0.041 0.000 1.025 10 T CB 1.453 70.314 68.868 -0.011 0.000 1.079 10 T HN 1.061 nan 8.240 nan 0.000 0.516 11 V N -2.114 117.803 119.914 0.006 0.000 3.346 11 V HA 0.532 4.663 4.120 0.018 0.000 0.309 11 V C 0.241 176.330 176.094 -0.009 0.000 1.457 11 V CA 0.163 62.458 62.300 -0.009 0.000 1.069 11 V CB -0.979 30.839 31.823 -0.008 0.000 0.944 11 V HN 1.229 nan 8.190 nan 0.000 0.449 12 S N -1.366 114.333 115.700 -0.002 0.000 2.611 12 S HA 0.371 4.852 4.470 0.018 0.000 0.268 12 S C 0.401 175.006 174.600 0.008 0.000 1.156 12 S CA 0.221 58.420 58.200 -0.001 0.000 0.817 12 S CB 1.889 65.090 63.200 0.003 0.000 1.122 12 S HN 0.203 nan 8.310 nan 0.000 0.466 13 Q N 0.711 120.521 119.800 0.017 0.000 1.990 13 Q HA 0.081 4.433 4.340 0.018 0.000 0.200 13 Q C -0.874 175.153 176.000 0.045 0.000 0.980 13 Q CA 1.744 57.570 55.803 0.037 0.000 0.832 13 Q CB -0.996 27.766 28.738 0.039 0.000 0.897 13 Q HN 0.679 nan 8.270 nan 0.000 0.427 14 P HA -0.132 nan 4.420 nan 0.000 0.222 14 P C 0.522 177.844 177.300 0.037 0.000 1.147 14 P CA 1.183 64.311 63.100 0.048 0.000 0.790 14 P CB -0.043 31.683 31.700 0.044 0.000 0.780 15 E N -0.005 120.207 120.200 0.020 0.000 2.072 15 E HA -0.115 4.246 4.350 0.018 0.000 0.191 15 E C 2.148 178.720 176.600 -0.046 0.000 0.985 15 E CA 1.060 57.460 56.400 0.000 0.000 0.801 15 E CB -0.364 29.340 29.700 0.006 0.000 0.750 15 E HN 0.118 nan 8.360 nan 0.000 0.452 16 A N 0.439 123.218 122.820 -0.070 0.000 1.933 16 A HA -0.178 4.153 4.320 0.018 0.000 0.218 16 A C 2.323 179.773 177.584 -0.224 0.000 1.175 16 A CA 1.908 53.807 52.037 -0.230 0.000 0.628 16 A CB -0.763 18.174 19.000 -0.105 0.000 0.814 16 A HN 0.208 nan 8.150 nan 0.000 0.444 17 T N -0.351 114.235 114.554 0.054 0.000 2.701 17 T HA -0.141 4.220 4.350 0.018 0.000 0.263 17 T C 2.012 176.790 174.700 0.131 0.000 1.040 17 T CA 1.765 63.981 62.100 0.193 0.000 1.147 17 T CB -0.203 68.752 68.868 0.145 0.000 0.865 17 T HN 0.687 nan 8.240 nan 0.000 0.426 18 K N 0.409 120.857 120.400 0.079 0.000 2.103 18 K HA -0.130 4.201 4.320 0.018 0.000 0.207 18 K C 2.612 179.276 176.600 0.106 0.000 1.048 18 K CA 1.498 57.856 56.287 0.118 0.000 0.930 18 K CB -0.718 31.845 32.500 0.105 0.000 0.716 18 K HN 0.376 nan 8.250 nan 0.000 0.444 19 c N 0.481 119.084 118.600 0.004 0.000 2.413 19 c HA -0.101 4.480 4.570 0.018 0.000 0.277 19 c C 2.275 176.329 174.090 -0.061 0.000 1.265 19 c CA 0.582 56.905 56.329 -0.009 0.000 1.752 19 c CB -1.342 41.048 42.510 -0.201 0.000 1.998 19 c HN 0.587 nan 8.230 nan 0.000 0.489 20 F N 1.422 121.380 119.950 0.013 0.000 2.186 20 F HA -0.074 4.464 4.527 0.019 0.000 0.299 20 F C 2.615 178.350 175.800 -0.108 0.000 1.090 20 F CA 1.654 59.627 58.000 -0.045 0.000 1.307 20 F CB -0.995 37.987 39.000 -0.029 0.000 1.019 20 F HN 0.403 nan 8.300 nan 0.000 0.489 21 Q N -1.233 118.597 119.800 0.051 0.000 2.050 21 Q HA -0.262 4.089 4.340 0.018 0.000 0.202 21 Q C 2.149 177.840 176.000 -0.515 0.000 0.980 21 Q CA 1.696 57.396 55.803 -0.170 0.000 0.840 21 Q CB -0.912 27.759 28.738 -0.111 0.000 0.898 21 Q HN 0.484 nan 8.270 nan 0.000 0.424 22 W N 2.733 123.504 121.300 -0.882 0.000 2.302 22 W HA -0.288 4.383 4.660 0.018 0.000 0.320 22 W C 2.272 178.454 176.519 -0.562 0.000 1.241 22 W CA 2.129 58.839 57.345 -1.058 0.000 1.264 22 W CB -0.775 28.405 29.460 -0.467 0.000 1.154 22 W HN 0.289 nan 8.180 nan 0.000 0.483 23 Q N 0.437 120.095 119.800 -0.236 0.000 2.096 23 Q HA -0.256 4.095 4.340 0.018 0.000 0.204 23 Q C 2.238 178.136 176.000 -0.170 0.000 0.982 23 Q CA 2.873 58.532 55.803 -0.240 0.000 0.850 23 Q CB -0.431 28.251 28.738 -0.093 0.000 0.901 23 Q HN 0.443 nan 8.270 nan 0.000 0.422 24 R N -0.058 120.351 120.500 -0.151 0.000 2.073 24 R HA 0.017 4.368 4.340 0.018 0.000 0.229 24 R C 2.022 178.240 176.300 -0.135 0.000 1.120 24 R CA 1.181 57.210 56.100 -0.118 0.000 0.967 24 R CB -0.620 29.623 30.300 -0.095 0.000 0.862 24 R HN 0.343 nan 8.270 nan 0.000 0.436 25 N N 0.701 119.241 118.700 -0.265 0.000 2.166 25 N HA -0.087 4.664 4.740 0.018 0.000 0.186 25 N C 1.841 177.359 175.510 0.013 0.000 1.019 25 N CA 1.285 54.189 53.050 -0.244 0.000 0.856 25 N CB -0.036 38.012 38.487 -0.732 0.000 0.993 25 N HN 0.195 nan 8.380 nan 0.000 0.426 26 M N 1.110 120.707 119.600 -0.004 0.000 2.117 26 M HA -0.139 4.352 4.480 0.018 0.000 0.262 26 M C 2.201 178.550 176.300 0.081 0.000 1.065 26 M CA 1.242 56.638 55.300 0.160 0.000 1.114 26 M CB -0.966 31.641 32.600 0.012 0.000 1.361 26 M HN 0.249 nan 8.290 nan 0.000 0.408 27 R N 0.449 120.951 120.500 0.003 0.000 2.115 27 R HA -0.122 4.229 4.340 0.018 0.000 0.226 27 R C 1.856 178.172 176.300 0.026 0.000 1.100 27 R CA 1.423 57.525 56.100 0.002 0.000 0.980 27 R CB -0.492 29.793 30.300 -0.025 0.000 0.875 27 R HN 0.227 nan 8.270 nan 0.000 0.445 28 K N 0.627 121.049 120.400 0.036 0.000 2.442 28 K HA -0.000 4.331 4.320 0.018 0.000 0.198 28 K C 0.523 177.180 176.600 0.094 0.000 1.042 28 K CA 0.839 57.158 56.287 0.053 0.000 0.958 28 K CB 0.404 32.929 32.500 0.041 0.000 0.766 28 K HN 0.138 nan 8.250 nan 0.000 0.474 29 V N 0.639 120.627 119.914 0.122 0.000 3.329 29 V HA 0.133 4.264 4.120 0.018 0.000 0.317 29 V C -0.600 175.533 176.094 0.064 0.000 1.495 29 V CA -0.609 61.757 62.300 0.110 0.000 1.105 29 V CB 0.250 32.170 31.823 0.161 0.000 0.985 29 V HN 0.258 nan 8.190 nan 0.000 0.475 30 R N 0.490 121.021 120.500 0.052 0.000 3.267 30 R HA -0.148 4.203 4.340 0.018 0.000 0.254 30 R C 0.455 176.771 176.300 0.026 0.000 0.993 30 R CA 0.822 56.939 56.100 0.028 0.000 0.670 30 R CB -1.972 28.338 30.300 0.018 0.000 1.125 30 R HN 0.663 nan 8.270 nan 0.000 0.434 31 G N 0.807 109.632 108.800 0.042 0.000 2.601 31 G HA2 0.684 4.655 3.960 0.018 0.000 0.317 31 G HA3 0.684 4.655 3.960 0.018 0.000 0.317 31 G C -2.376 172.531 174.900 0.012 0.000 1.246 31 G CA -1.157 43.964 45.100 0.035 0.000 1.012 31 G HN -0.011 nan 8.290 nan 0.000 0.494 32 P HA 0.190 nan 4.420 nan 0.000 0.267 32 P C -2.436 174.832 177.300 -0.053 0.000 1.209 32 P CA -0.741 62.348 63.100 -0.017 0.000 0.763 32 P CB 0.824 32.517 31.700 -0.012 0.000 0.816 33 P HA 0.236 nan 4.420 nan 0.000 0.276 33 P C -0.760 176.436 177.300 -0.173 0.000 1.261 33 P CA -0.289 62.745 63.100 -0.110 0.000 0.800 33 P CB 1.115 32.773 31.700 -0.071 0.000 1.066 34 V N -0.333 119.437 119.914 -0.239 0.000 3.000 34 V HA 0.516 4.647 4.120 0.018 0.000 0.300 34 V C -0.857 175.118 176.094 -0.199 0.000 1.251 34 V CA -0.342 61.790 62.300 -0.279 0.000 0.972 34 V CB 2.084 33.534 31.823 -0.621 0.000 1.065 34 V HN 0.924 nan 8.190 nan 0.000 0.431 35 S N 5.284 120.922 115.700 -0.105 0.000 2.648 35 S HA 0.767 5.248 4.470 0.018 0.000 0.305 35 S C -0.709 173.873 174.600 -0.029 0.000 1.094 35 S CA -0.595 57.584 58.200 -0.036 0.000 0.983 35 S CB 1.804 65.004 63.200 -0.000 0.000 1.101 35 S HN 1.075 nan 8.310 nan 0.000 0.514 36 c N 2.694 121.278 118.600 -0.028 0.000 2.293 36 c HA 0.612 5.193 4.570 0.018 0.000 0.323 36 c C -0.392 173.666 174.090 -0.053 0.000 1.240 36 c CA -0.769 55.479 56.329 -0.136 0.000 1.497 36 c CB -0.964 41.180 42.510 -0.610 0.000 2.171 36 c HN 0.789 nan 8.230 nan 0.000 0.465 37 I N 3.452 124.010 120.570 -0.020 0.000 2.396 37 I HA 0.327 4.509 4.170 0.018 0.000 0.292 37 I C 0.223 176.331 176.117 -0.014 0.000 0.999 37 I CA 0.077 61.375 61.300 -0.004 0.000 1.310 37 I CB 0.737 38.731 38.000 -0.010 0.000 1.404 37 I HN 0.466 nan 8.210 nan 0.000 0.496 38 K N 6.270 126.672 120.400 0.004 0.000 2.213 38 K HA 0.653 4.984 4.320 0.018 0.000 0.270 38 K C -0.407 176.189 176.600 -0.005 0.000 1.002 38 K CA -0.608 55.680 56.287 0.002 0.000 0.868 38 K CB 1.201 33.719 32.500 0.030 0.000 1.093 38 K HN 0.330 nan 8.250 nan 0.000 0.454 39 R N 1.035 121.526 120.500 -0.015 0.000 2.947 39 R HA 0.387 4.738 4.340 0.018 0.000 0.253 39 R C -0.567 175.717 176.300 -0.026 0.000 1.208 39 R CA -0.706 55.380 56.100 -0.025 0.000 1.012 39 R CB 0.897 31.172 30.300 -0.041 0.000 1.267 39 R HN 0.596 nan 8.270 nan 0.000 0.473 40 D N -0.160 120.219 120.400 -0.036 0.000 2.503 40 D HA 0.120 4.771 4.640 0.018 0.000 0.218 40 D C -0.220 176.050 176.300 -0.050 0.000 1.183 40 D CA 0.243 54.221 54.000 -0.036 0.000 0.827 40 D CB 0.819 41.600 40.800 -0.032 0.000 1.034 40 D HN 0.454 nan 8.370 nan 0.000 0.510 41 S N -0.989 114.670 115.700 -0.068 0.000 2.578 41 S HA 0.355 4.836 4.470 0.018 0.000 0.272 41 S C -2.690 171.819 174.600 -0.151 0.000 1.145 41 S CA -0.903 57.235 58.200 -0.103 0.000 0.835 41 S CB 2.416 65.539 63.200 -0.130 0.000 1.104 41 S HN -0.366 nan 8.310 nan 0.000 0.458 42 P HA -0.058 nan 4.420 nan 0.000 0.216 42 P C 1.506 178.652 177.300 -0.256 0.000 1.153 42 P CA 0.899 63.813 63.100 -0.310 0.000 0.858 42 P CB -0.054 31.229 31.700 -0.695 0.000 0.789 43 I N -0.478 119.946 120.570 -0.244 0.000 2.226 43 I HA -0.229 3.952 4.170 0.018 0.000 0.245 43 I C 2.260 178.264 176.117 -0.187 0.000 1.100 43 I CA 1.708 62.899 61.300 -0.181 0.000 1.374 43 I CB -1.545 36.390 38.000 -0.108 0.000 1.057 43 I HN 0.144 nan 8.210 nan 0.000 0.413 44 Q N -0.438 119.278 119.800 -0.141 0.000 2.124 44 Q HA -0.201 4.150 4.340 0.018 0.000 0.202 44 Q C 2.554 178.482 176.000 -0.121 0.000 0.977 44 Q CA 1.658 57.396 55.803 -0.108 0.000 0.850 44 Q CB -0.163 28.529 28.738 -0.077 0.000 0.901 44 Q HN 0.508 nan 8.270 nan 0.000 0.429 45 c N -0.054 118.466 118.600 -0.135 0.000 2.466 45 c HA -0.074 4.507 4.570 0.018 0.000 0.278 45 c C 2.506 176.496 174.090 -0.167 0.000 1.288 45 c CA 0.205 56.455 56.329 -0.131 0.000 1.722 45 c CB -0.681 41.757 42.510 -0.119 0.000 2.017 45 c HN 0.455 nan 8.230 nan 0.000 0.488 46 I N 0.601 121.038 120.570 -0.222 0.000 2.208 46 I HA -0.276 3.905 4.170 0.018 0.000 0.245 46 I C 2.626 178.543 176.117 -0.332 0.000 1.097 46 I CA 1.639 62.757 61.300 -0.304 0.000 1.363 46 I CB -0.414 37.314 38.000 -0.453 0.000 1.051 46 I HN 0.426 nan 8.210 nan 0.000 0.413 47 Q N 0.029 119.635 119.800 -0.323 0.000 2.020 47 Q HA -0.207 4.144 4.340 0.018 0.000 0.202 47 Q C 2.475 178.439 176.000 -0.059 0.000 0.982 47 Q CA 1.825 57.539 55.803 -0.147 0.000 0.838 47 Q CB -0.375 28.323 28.738 -0.067 0.000 0.899 47 Q HN 0.602 nan 8.270 nan 0.000 0.423 48 A N 0.941 123.714 122.820 -0.077 0.000 1.884 48 A HA -0.254 4.077 4.320 0.018 0.000 0.219 48 A C 2.054 179.604 177.584 -0.057 0.000 1.197 48 A CA 1.765 53.768 52.037 -0.057 0.000 0.637 48 A CB -0.919 18.043 19.000 -0.065 0.000 0.827 48 A HN 0.361 nan 8.150 nan 0.000 0.450 49 I N -0.256 120.263 120.570 -0.085 0.000 2.208 49 I HA -0.291 3.890 4.170 0.018 0.000 0.245 49 I C 2.941 179.030 176.117 -0.046 0.000 1.097 49 I CA 1.114 62.364 61.300 -0.084 0.000 1.363 49 I CB -0.294 37.633 38.000 -0.121 0.000 1.051 49 I HN 0.368 nan 8.210 nan 0.000 0.413 50 A N 0.764 123.573 122.820 -0.019 0.000 1.940 50 A HA -0.220 4.111 4.320 0.018 0.000 0.219 50 A C 1.818 179.420 177.584 0.030 0.000 1.176 50 A CA 1.920 53.983 52.037 0.043 0.000 0.631 50 A CB -0.658 18.441 19.000 0.166 0.000 0.814 50 A HN 0.663 nan 8.150 nan 0.000 0.446 51 E N -0.936 119.274 120.200 0.017 0.000 2.511 51 E HA 0.172 4.533 4.350 0.018 0.000 0.214 51 E C -0.327 176.270 176.600 -0.006 0.000 1.062 51 E CA -0.365 56.041 56.400 0.010 0.000 1.213 51 E CB -0.582 29.128 29.700 0.016 0.000 1.214 51 E HN 0.420 nan 8.360 nan 0.000 0.441 52 N N 1.340 120.031 118.700 -0.015 0.000 2.714 52 N HA -0.203 4.548 4.740 0.018 0.000 0.250 52 N C 0.104 175.600 175.510 -0.024 0.000 1.117 52 N CA 0.832 53.868 53.050 -0.022 0.000 0.719 52 N CB -0.518 37.960 38.487 -0.016 0.000 1.081 52 N HN 0.517 nan 8.380 nan 0.000 0.557 53 R N -0.632 119.852 120.500 -0.028 0.000 2.397 53 R HA 0.436 4.787 4.340 0.018 0.000 0.241 53 R C 0.553 176.831 176.300 -0.036 0.000 0.914 53 R CA 0.652 56.736 56.100 -0.026 0.000 1.071 53 R CB 0.933 31.221 30.300 -0.020 0.000 1.116 53 R HN 0.202 nan 8.270 nan 0.000 0.524 54 A N 0.071 122.858 122.820 -0.054 0.000 2.609 54 A HA 0.397 4.728 4.320 0.018 0.000 0.291 54 A C -0.974 176.547 177.584 -0.105 0.000 1.096 54 A CA -0.822 51.168 52.037 -0.078 0.000 0.684 54 A CB 1.553 20.497 19.000 -0.094 0.000 1.282 54 A HN -0.077 nan 8.150 nan 0.000 0.412 55 D N -0.173 120.140 120.400 -0.144 0.000 2.615 55 D HA 0.426 5.077 4.640 0.018 0.000 0.259 55 D C 0.676 176.808 176.300 -0.281 0.000 0.999 55 D CA 1.583 55.483 54.000 -0.167 0.000 0.938 55 D CB 0.636 41.360 40.800 -0.127 0.000 1.121 55 D HN 0.844 nan 8.370 nan 0.000 0.487 56 A N 0.399 122.925 122.820 -0.490 0.000 2.539 56 A HA 0.645 4.976 4.320 0.018 0.000 0.296 56 A C -1.471 175.507 177.584 -1.010 0.000 1.073 56 A CA -0.578 50.991 52.037 -0.780 0.000 0.700 56 A CB 2.456 20.777 19.000 -1.131 0.000 1.296 56 A HN -0.039 nan 8.150 nan 0.000 0.405 57 V N 0.854 120.374 119.914 -0.657 0.000 2.932 57 V HA 0.646 4.777 4.120 0.018 0.000 0.307 57 V C -0.597 175.463 176.094 -0.056 0.000 1.147 57 V CA -0.240 61.849 62.300 -0.351 0.000 0.951 57 V CB 2.466 34.177 31.823 -0.187 0.000 1.031 57 V HN 1.044 nan 8.190 nan 0.000 0.426 58 T N 7.724 122.381 114.554 0.172 0.000 2.780 58 T HA 0.643 5.004 4.350 0.018 0.000 0.294 58 T C -0.383 174.423 174.700 0.177 0.000 0.949 58 T CA 0.045 62.307 62.100 0.270 0.000 1.074 58 T CB 0.440 69.524 68.868 0.359 0.000 0.910 58 T HN 0.501 nan 8.240 nan 0.000 0.501 59 L N 2.291 123.623 121.223 0.182 0.000 2.354 59 L HA 0.495 4.846 4.340 0.018 0.000 0.264 59 L C 0.093 177.017 176.870 0.090 0.000 1.008 59 L CA -1.262 53.657 54.840 0.131 0.000 0.819 59 L CB 2.167 44.316 42.059 0.151 0.000 1.339 59 L HN 0.542 nan 8.230 nan 0.000 0.420 60 D N 0.690 121.056 120.400 -0.056 0.000 2.368 60 D HA 0.130 4.781 4.640 0.018 0.000 0.240 60 D C 1.298 177.769 176.300 0.285 0.000 1.169 60 D CA 0.692 54.577 54.000 -0.192 0.000 0.906 60 D CB 1.676 42.447 40.800 -0.049 0.000 1.187 60 D HN 0.600 nan 8.370 nan 0.000 0.435 61 G N 1.613 110.691 108.800 0.462 0.000 2.503 61 G HA2 -0.255 3.716 3.960 0.018 0.000 0.221 61 G HA3 -0.255 3.716 3.960 0.018 0.000 0.221 61 G C 1.367 176.533 174.900 0.444 0.000 1.131 61 G CA 0.857 46.292 45.100 0.559 0.000 0.756 61 G HN 0.615 nan 8.290 nan 0.000 0.572 62 G N -0.101 108.912 108.800 0.356 0.000 2.422 62 G HA2 -0.026 3.945 3.960 0.018 0.000 0.218 62 G HA3 -0.026 3.945 3.960 0.018 0.000 0.218 62 G C 1.407 176.290 174.900 -0.029 0.000 1.140 62 G CA 0.433 45.604 45.100 0.118 0.000 0.775 62 G HN 0.391 nan 8.290 nan 0.000 0.545 63 F N 0.065 120.134 119.950 0.198 0.000 2.776 63 F HA 0.375 4.913 4.527 0.018 0.000 0.300 63 F C 2.212 178.088 175.800 0.126 0.000 1.116 63 F CA -0.242 57.839 58.000 0.134 0.000 1.375 63 F CB 0.152 39.199 39.000 0.079 0.000 1.109 63 F HN 0.048 nan 8.300 nan 0.000 0.585 64 I N -1.168 119.586 120.570 0.307 0.000 2.353 64 I HA -0.302 3.879 4.170 0.018 0.000 0.248 64 I C 2.379 178.628 176.117 0.221 0.000 1.119 64 I CA 1.132 62.569 61.300 0.227 0.000 1.417 64 I CB -0.388 37.757 38.000 0.242 0.000 1.078 64 I HN 0.124 nan 8.210 nan 0.000 0.421 65 Y N 2.099 122.482 120.300 0.137 0.000 2.097 65 Y HA -0.304 4.257 4.550 0.018 0.000 0.282 65 Y C 2.536 178.505 175.900 0.115 0.000 1.152 65 Y CA 1.765 59.943 58.100 0.130 0.000 1.136 65 Y CB -0.160 38.327 38.460 0.046 0.000 0.975 65 Y HN 0.085 nan 8.280 nan 0.000 0.498 66 E N 0.444 120.725 120.200 0.135 0.000 2.070 66 E HA -0.244 4.117 4.350 0.018 0.000 0.197 66 E C 2.367 179.018 176.600 0.086 0.000 1.004 66 E CA 1.349 57.790 56.400 0.069 0.000 0.805 66 E CB -0.816 28.971 29.700 0.145 0.000 0.744 66 E HN 0.596 nan 8.360 nan 0.000 0.451 67 A N 0.553 123.430 122.820 0.095 0.000 2.067 67 A HA -0.004 4.327 4.320 0.018 0.000 0.219 67 A C 2.278 179.919 177.584 0.095 0.000 1.158 67 A CA 1.520 53.599 52.037 0.071 0.000 0.661 67 A CB -0.493 18.526 19.000 0.031 0.000 0.801 67 A HN 0.296 nan 8.150 nan 0.000 0.452 68 G N -0.925 107.894 108.800 0.031 0.000 2.939 68 G HA2 0.344 4.315 3.960 0.018 0.000 0.210 68 G HA3 0.344 4.315 3.960 0.018 0.000 0.210 68 G C 0.577 175.458 174.900 -0.032 0.000 1.160 68 G CA -0.259 44.841 45.100 -0.001 0.000 0.770 68 G HN 0.388 nan 8.290 nan 0.000 0.543 69 L N 0.813 122.001 121.223 -0.058 0.000 2.466 69 L HA 0.509 4.860 4.340 0.018 0.000 0.257 69 L C 1.062 177.880 176.870 -0.088 0.000 1.189 69 L CA -0.834 53.947 54.840 -0.098 0.000 0.813 69 L CB 0.783 42.756 42.059 -0.142 0.000 1.118 69 L HN 0.081 nan 8.230 nan 0.000 0.471 70 A N 2.249 124.990 122.820 -0.132 0.000 2.445 70 A HA 0.327 4.658 4.320 0.018 0.000 0.242 70 A C -1.400 175.956 177.584 -0.380 0.000 1.075 70 A CA -0.878 51.043 52.037 -0.195 0.000 0.777 70 A CB -0.196 18.723 19.000 -0.135 0.000 1.013 70 A HN 0.697 nan 8.150 nan 0.000 0.493 71 P HA -0.037 nan 4.420 nan 0.000 0.235 71 P C 0.559 177.710 177.300 -0.248 0.000 1.177 71 P CA 0.925 63.813 63.100 -0.353 0.000 0.785 71 P CB -0.034 31.472 31.700 -0.324 0.000 0.885 72 Y N 2.138 122.417 120.300 -0.035 0.000 2.070 72 Y HA -0.131 4.430 4.550 0.018 0.000 0.280 72 Y C 1.380 177.255 175.900 -0.041 0.000 1.148 72 Y CA 0.516 58.594 58.100 -0.036 0.000 1.125 72 Y CB -1.549 36.891 38.460 -0.033 0.000 0.975 72 Y HN -0.083 nan 8.280 nan 0.000 0.492 73 K N 0.482 120.944 120.400 0.104 0.000 3.257 73 K HA -0.203 4.128 4.320 0.018 0.000 0.270 73 K C -0.607 176.010 176.600 0.029 0.000 0.984 73 K CA 0.459 56.765 56.287 0.033 0.000 0.739 73 K CB -2.491 30.005 32.500 -0.006 0.000 1.351 73 K HN 0.374 nan 8.250 nan 0.000 0.463 74 L N 0.329 121.576 121.223 0.040 0.000 2.469 74 L HA 0.493 4.844 4.340 0.018 0.000 0.253 74 L C 0.957 177.814 176.870 -0.021 0.000 1.143 74 L CA -0.838 54.002 54.840 -0.000 0.000 0.804 74 L CB 0.652 42.703 42.059 -0.012 0.000 1.214 74 L HN 0.324 nan 8.230 nan 0.000 0.476 75 R N 0.007 120.481 120.500 -0.044 0.000 2.698 75 R HA 0.532 4.883 4.340 0.018 0.000 0.275 75 R C -3.012 173.230 176.300 -0.096 0.000 1.001 75 R CA -1.920 54.141 56.100 -0.064 0.000 0.896 75 R CB 1.475 31.738 30.300 -0.060 0.000 1.218 75 R HN 0.195 nan 8.270 nan 0.000 0.462 76 P HA -0.045 nan 4.420 nan 0.000 0.267 76 P C 0.599 177.811 177.300 -0.147 0.000 1.205 76 P CA -0.297 62.668 63.100 -0.225 0.000 0.765 76 P CB 1.385 32.730 31.700 -0.591 0.000 0.828 77 V N 0.646 120.514 119.914 -0.077 0.000 3.570 77 V HA 0.620 4.751 4.120 0.018 0.000 0.257 77 V C 0.474 176.565 176.094 -0.005 0.000 1.272 77 V CA 0.604 62.871 62.300 -0.054 0.000 1.079 77 V CB -0.145 31.672 31.823 -0.011 0.000 0.829 77 V HN 0.572 nan 8.190 nan 0.000 0.454 78 A N 0.208 123.092 122.820 0.108 0.000 2.488 78 A HA 0.934 5.265 4.320 0.018 0.000 0.298 78 A C -0.471 177.331 177.584 0.363 0.000 1.044 78 A CA -0.015 52.185 52.037 0.272 0.000 0.693 78 A CB 1.545 20.818 19.000 0.455 0.000 1.272 78 A HN 1.352 nan 8.150 nan 0.000 0.402 79 A N 1.569 124.651 122.820 0.437 0.000 2.312 79 A HA 0.681 5.012 4.320 0.018 0.000 0.326 79 A C -0.044 177.772 177.584 0.386 0.000 1.172 79 A CA -0.472 51.845 52.037 0.467 0.000 0.821 79 A CB 0.373 19.727 19.000 0.590 0.000 1.166 79 A HN 0.814 nan 8.150 nan 0.000 0.493 80 E N 0.663 121.011 120.200 0.246 0.000 2.384 80 E HA 0.321 4.682 4.350 0.018 0.000 0.266 80 E C -0.791 175.493 176.600 -0.527 0.000 1.012 80 E CA 0.006 56.326 56.400 -0.134 0.000 0.901 80 E CB 0.980 30.599 29.700 -0.134 0.000 0.967 80 E HN 0.387 nan 8.360 nan 0.000 0.435 81 V N 4.715 124.275 119.914 -0.590 0.000 2.427 81 V HA 0.255 4.386 4.120 0.018 0.000 0.286 81 V C -0.691 175.023 176.094 -0.634 0.000 1.034 81 V CA -0.428 61.552 62.300 -0.533 0.000 0.893 81 V CB 0.281 31.938 31.823 -0.277 0.000 0.982 81 V HN 0.541 nan 8.190 nan 0.000 0.452 82 Y N 1.815 121.979 120.300 -0.228 0.000 2.914 82 Y HA 0.872 5.433 4.550 0.018 0.000 0.324 82 Y C 1.138 176.902 175.900 -0.227 0.000 1.280 82 Y CA -0.147 57.792 58.100 -0.268 0.000 1.133 82 Y CB 0.222 38.513 38.460 -0.281 0.000 1.395 82 Y HN 0.900 nan 8.280 nan 0.000 0.645 83 G N 0.034 108.824 108.800 -0.018 0.000 2.539 83 G HA2 -0.075 3.896 3.960 0.018 0.000 0.256 83 G HA3 -0.075 3.896 3.960 0.018 0.000 0.256 83 G C -0.061 174.788 174.900 -0.085 0.000 1.233 83 G CA -0.002 45.059 45.100 -0.066 0.000 0.936 83 G HN 1.182 nan 8.290 nan 0.000 0.571 84 T N -3.068 111.442 114.554 -0.073 0.000 2.841 84 T HA 0.702 5.063 4.350 0.018 0.000 0.276 84 T C 1.194 175.854 174.700 -0.067 0.000 1.003 84 T CA 0.650 62.705 62.100 -0.074 0.000 0.995 84 T CB 1.850 70.683 68.868 -0.060 0.000 1.260 84 T HN 0.660 nan 8.240 nan 0.000 0.581 85 E N -0.101 120.064 120.200 -0.058 0.000 2.150 85 E HA -0.067 4.294 4.350 0.018 0.000 0.193 85 E C 2.744 179.326 176.600 -0.031 0.000 0.985 85 E CA 1.114 57.487 56.400 -0.046 0.000 0.814 85 E CB -0.242 29.435 29.700 -0.038 0.000 0.752 85 E HN 0.685 nan 8.360 nan 0.000 0.466 86 R N 1.669 122.152 120.500 -0.029 0.000 2.093 86 R HA -0.030 4.321 4.340 0.018 0.000 0.224 86 R C 1.454 177.744 176.300 -0.017 0.000 1.101 86 R CA 1.230 57.319 56.100 -0.019 0.000 0.979 86 R CB -0.678 29.610 30.300 -0.019 0.000 0.877 86 R HN 0.249 nan 8.270 nan 0.000 0.441 87 Q N 1.100 120.885 119.800 -0.024 0.000 2.943 87 Q HA 0.308 4.659 4.340 0.018 0.000 0.327 87 Q C -2.785 173.195 176.000 -0.033 0.000 0.937 87 Q CA -2.075 53.717 55.803 -0.019 0.000 0.914 87 Q CB 1.836 30.567 28.738 -0.011 0.000 1.339 87 Q HN 0.300 nan 8.270 nan 0.000 0.417 88 P HA 0.144 nan 4.420 nan 0.000 0.275 88 P C -0.584 176.672 177.300 -0.073 0.000 1.228 88 P CA -0.045 63.016 63.100 -0.064 0.000 0.786 88 P CB 0.806 32.473 31.700 -0.054 0.000 0.927 89 R N -1.018 119.409 120.500 -0.122 0.000 2.626 89 R HA 0.558 4.909 4.340 0.018 0.000 0.274 89 R C -0.204 175.976 176.300 -0.200 0.000 1.031 89 R CA -0.820 55.176 56.100 -0.173 0.000 0.898 89 R CB 0.318 30.399 30.300 -0.365 0.000 1.222 89 R HN 0.340 nan 8.270 nan 0.000 0.455 90 T N -1.495 112.979 114.554 -0.133 0.000 3.260 90 T HA 0.209 4.570 4.350 0.018 0.000 0.254 90 T C 0.124 174.831 174.700 0.012 0.000 0.951 90 T CA -0.398 61.640 62.100 -0.104 0.000 0.918 90 T CB -0.803 68.017 68.868 -0.081 0.000 1.098 90 T HN 0.772 nan 8.240 nan 0.000 0.563 91 H N -0.951 118.111 119.070 -0.013 0.000 3.008 91 H HA 0.601 5.167 4.556 0.017 0.000 0.354 91 H C -1.584 173.786 175.328 0.069 0.000 1.252 91 H CA -1.192 54.831 56.048 -0.042 0.000 1.117 91 H CB 1.159 30.767 29.762 -0.256 0.000 1.857 91 H HN 0.255 nan 8.280 nan 0.000 0.547 92 Y N -0.710 119.496 120.300 -0.156 0.000 2.974 92 Y HA 0.660 5.221 4.550 0.018 0.000 0.310 92 Y C -1.990 173.614 175.900 -0.493 0.000 1.526 92 Y CA -1.641 56.254 58.100 -0.342 0.000 1.087 92 Y CB 0.877 39.137 38.460 -0.333 0.000 1.404 92 Y HN 0.486 nan 8.280 nan 0.000 0.491 93 Y N 0.723 120.997 120.300 -0.044 0.000 2.331 93 Y HA 0.718 5.278 4.550 0.017 0.000 0.334 93 Y C -0.071 175.809 175.900 -0.032 0.000 0.960 93 Y CA -1.228 56.794 58.100 -0.131 0.000 1.130 93 Y CB 2.035 40.459 38.460 -0.060 0.000 1.164 93 Y HN 0.889 nan 8.280 nan 0.000 0.458 94 A N 3.821 126.679 122.820 0.063 0.000 2.396 94 A HA 0.596 4.927 4.320 0.018 0.000 0.279 94 A C -0.077 177.635 177.584 0.213 0.000 1.165 94 A CA -0.278 51.845 52.037 0.142 0.000 0.824 94 A CB -0.511 18.527 19.000 0.064 0.000 1.100 94 A HN 0.709 nan 8.150 nan 0.000 0.516 95 V N -0.643 119.399 119.914 0.212 0.000 3.158 95 V HA 0.969 5.100 4.120 0.018 0.000 0.315 95 V C 0.049 176.279 176.094 0.227 0.000 1.148 95 V CA -0.595 61.832 62.300 0.211 0.000 1.042 95 V CB 1.674 33.590 31.823 0.156 0.000 1.101 95 V HN 1.519 nan 8.190 nan 0.000 0.448 96 A N 1.329 124.262 122.820 0.189 0.000 2.323 96 A HA 0.790 5.121 4.320 0.018 0.000 0.305 96 A C -0.659 176.926 177.584 0.002 0.000 1.275 96 A CA -0.538 51.562 52.037 0.105 0.000 0.804 96 A CB 0.818 19.953 19.000 0.226 0.000 1.152 96 A HN 1.146 nan 8.150 nan 0.000 0.487 97 V N 3.568 123.444 119.914 -0.064 0.000 2.481 97 V HA 0.610 4.741 4.120 0.018 0.000 0.286 97 V C 0.373 176.471 176.094 0.007 0.000 1.042 97 V CA -0.263 62.030 62.300 -0.012 0.000 0.928 97 V CB 1.130 32.941 31.823 -0.020 0.000 0.986 97 V HN 0.945 nan 8.190 nan 0.000 0.462 98 V N 1.772 121.724 119.914 0.062 0.000 3.158 98 V HA 0.664 4.795 4.120 0.018 0.000 0.311 98 V C -0.525 175.647 176.094 0.130 0.000 1.181 98 V CA -1.343 60.995 62.300 0.063 0.000 1.054 98 V CB 1.988 33.768 31.823 -0.071 0.000 1.085 98 V HN 0.694 nan 8.190 nan 0.000 0.446 99 K N 0.908 121.343 120.400 0.058 0.000 2.174 99 K HA 0.369 4.700 4.320 0.018 0.000 0.275 99 K C -0.249 176.270 176.600 -0.134 0.000 1.015 99 K CA -0.544 55.701 56.287 -0.070 0.000 0.933 99 K CB 1.123 33.565 32.500 -0.095 0.000 1.025 99 K HN 0.782 nan 8.250 nan 0.000 0.463 100 K N 1.891 122.175 120.400 -0.193 0.000 2.336 100 K HA 0.076 4.407 4.320 0.018 0.000 0.290 100 K C 0.311 176.830 176.600 -0.134 0.000 1.067 100 K CA 0.483 56.679 56.287 -0.152 0.000 0.962 100 K CB 0.031 32.444 32.500 -0.144 0.000 1.008 100 K HN 0.794 nan 8.250 nan 0.000 0.467 101 G N 2.683 111.416 108.800 -0.113 0.000 4.018 101 G HA2 -0.049 3.922 3.960 0.018 0.000 0.195 101 G HA3 -0.049 3.922 3.960 0.018 0.000 0.195 101 G C 0.479 175.342 174.900 -0.062 0.000 1.019 101 G CA -0.220 44.833 45.100 -0.080 0.000 0.871 101 G HN 0.814 nan 8.290 nan 0.000 0.339 102 G N 0.316 109.077 108.800 -0.065 0.000 2.750 102 G HA2 0.422 4.393 3.960 0.018 0.000 0.250 102 G HA3 0.422 4.393 3.960 0.018 0.000 0.250 102 G C 0.569 175.400 174.900 -0.115 0.000 1.230 102 G CA 1.063 46.145 45.100 -0.029 0.000 0.883 102 G HN 1.056 nan 8.290 nan 0.000 0.573 103 S N -0.792 114.879 115.700 -0.048 0.000 3.021 103 S HA 0.225 4.706 4.470 0.018 0.000 0.252 103 S C -0.313 174.286 174.600 -0.002 0.000 0.996 103 S CA -0.572 57.593 58.200 -0.058 0.000 1.084 103 S CB -0.128 63.071 63.200 -0.002 0.000 1.021 103 S HN 0.633 nan 8.310 nan 0.000 0.566 104 F N 1.114 121.059 119.950 -0.008 0.000 2.397 104 F HA 0.847 5.385 4.527 0.019 0.000 0.331 104 F C 0.106 175.906 175.800 0.000 0.000 1.090 104 F CA -0.837 57.159 58.000 -0.007 0.000 1.065 104 F CB 0.698 39.693 39.000 -0.007 0.000 1.184 104 F HN -0.168 nan 8.300 nan 0.000 0.499 105 Q N 2.058 121.953 119.800 0.158 0.000 2.252 105 Q HA 0.277 4.628 4.340 0.018 0.000 0.256 105 Q C 0.997 177.107 176.000 0.183 0.000 1.020 105 Q CA -0.839 55.014 55.803 0.084 0.000 0.913 105 Q CB 1.784 30.550 28.738 0.047 0.000 1.286 105 Q HN 0.980 nan 8.270 nan 0.000 0.480 106 L N 2.054 123.361 121.223 0.138 0.000 2.081 106 L HA -0.259 4.092 4.340 0.018 0.000 0.212 106 L C 1.304 178.216 176.870 0.070 0.000 1.080 106 L CA 2.598 57.542 54.840 0.174 0.000 0.754 106 L CB -0.560 41.600 42.059 0.169 0.000 0.893 106 L HN 0.836 nan 8.230 nan 0.000 0.433 107 N N -1.581 117.106 118.700 -0.022 0.000 2.449 107 N HA -0.076 4.675 4.740 0.018 0.000 0.191 107 N C 0.701 176.017 175.510 -0.324 0.000 1.161 107 N CA 0.561 53.421 53.050 -0.316 0.000 0.863 107 N CB -0.069 38.369 38.487 -0.082 0.000 0.980 107 N HN 0.500 nan 8.380 nan 0.000 0.458 108 E N -0.026 120.123 120.200 -0.085 0.000 3.157 108 E HA 0.216 4.577 4.350 0.018 0.000 0.203 108 E C 0.260 176.831 176.600 -0.050 0.000 0.982 108 E CA -0.123 56.252 56.400 -0.042 0.000 1.217 108 E CB 0.370 30.112 29.700 0.070 0.000 1.123 108 E HN 0.391 nan 8.360 nan 0.000 0.457 109 L N 0.479 121.688 121.223 -0.023 0.000 2.592 109 L HA 0.136 4.487 4.340 0.018 0.000 0.227 109 L C 1.066 177.761 176.870 -0.292 0.000 1.127 109 L CA 0.186 55.025 54.840 -0.002 0.000 0.884 109 L CB 0.124 42.407 42.059 0.374 0.000 1.065 109 L HN 0.245 nan 8.230 nan 0.000 0.457 110 Q N 0.691 120.156 119.800 -0.560 0.000 2.300 110 Q HA 0.085 4.436 4.340 0.018 0.000 0.280 110 Q C 1.109 176.771 176.000 -0.564 0.000 1.033 110 Q CA 1.042 56.206 55.803 -1.065 0.000 0.903 110 Q CB 0.614 28.904 28.738 -0.748 0.000 1.195 110 Q HN 0.423 nan 8.270 nan 0.000 0.386 111 G N 2.594 111.087 108.800 -0.512 0.000 2.162 111 G HA2 -0.258 3.713 3.960 0.018 0.000 0.260 111 G HA3 -0.258 3.713 3.960 0.018 0.000 0.260 111 G C -0.325 174.500 174.900 -0.125 0.000 0.976 111 G CA 0.198 45.158 45.100 -0.233 0.000 0.655 111 G HN 0.455 nan 8.290 nan 0.000 0.533 112 L N -0.440 120.733 121.223 -0.083 0.000 2.472 112 L HA 0.809 5.160 4.340 0.018 0.000 0.256 112 L C 0.569 177.508 176.870 0.115 0.000 1.111 112 L CA -0.782 54.031 54.840 -0.044 0.000 0.800 112 L CB 0.946 42.894 42.059 -0.184 0.000 1.286 112 L HN 0.116 nan 8.230 nan 0.000 0.479 113 K N -0.245 120.157 120.400 0.003 0.000 2.235 113 K HA 0.531 4.862 4.320 0.018 0.000 0.266 113 K C -0.914 175.600 176.600 -0.143 0.000 0.980 113 K CA -0.265 56.012 56.287 -0.017 0.000 0.849 113 K CB 1.397 33.890 32.500 -0.011 0.000 1.098 113 K HN 0.613 nan 8.250 nan 0.000 0.445 114 S N 0.856 116.398 115.700 -0.263 0.000 2.503 114 S HA 0.573 5.054 4.470 0.018 0.000 0.301 114 S C -0.452 174.079 174.600 -0.115 0.000 1.087 114 S CA -0.905 57.056 58.200 -0.397 0.000 1.042 114 S CB 0.880 63.536 63.200 -0.906 0.000 1.043 114 S HN 0.544 nan 8.310 nan 0.000 0.489 115 c N 3.797 122.280 118.600 -0.196 0.000 2.322 115 c HA 0.637 5.218 4.570 0.018 0.000 0.324 115 c C 0.000 174.060 174.090 -0.050 0.000 1.284 115 c CA -0.614 55.684 56.329 -0.052 0.000 1.606 115 c CB -0.697 41.718 42.510 -0.158 0.000 2.251 115 c HN 0.896 nan 8.230 nan 0.000 0.502 116 H N 1.092 120.247 119.070 0.143 0.000 2.622 116 H HA 0.248 4.815 4.556 0.018 0.000 0.363 116 H C 0.917 176.325 175.328 0.134 0.000 1.151 116 H CA -0.101 56.090 56.048 0.239 0.000 1.184 116 H CB 2.087 32.063 29.762 0.357 0.000 1.643 116 H HN 0.723 nan 8.280 nan 0.000 0.531 117 T N 0.231 114.894 114.554 0.181 0.000 2.788 117 T HA 0.091 4.452 4.350 0.018 0.000 0.268 117 T C 1.009 175.637 174.700 -0.120 0.000 1.044 117 T CA 0.759 62.809 62.100 -0.083 0.000 1.139 117 T CB 0.138 68.852 68.868 -0.256 0.000 0.867 117 T HN 0.778 nan 8.240 nan 0.000 0.454 118 G N 0.315 109.192 108.800 0.128 0.000 2.377 118 G HA2 0.436 4.407 3.960 0.018 0.000 0.297 118 G HA3 0.436 4.407 3.960 0.018 0.000 0.297 118 G C -1.670 173.435 174.900 0.342 0.000 1.547 118 G CA -0.892 44.357 45.100 0.249 0.000 0.833 118 G HN 0.422 nan 8.290 nan 0.000 0.583 119 L N 1.073 122.447 121.223 0.252 0.000 2.540 119 L HA 0.482 4.833 4.340 0.018 0.000 0.276 119 L C 1.603 178.418 176.870 -0.092 0.000 1.212 119 L CA 1.210 55.884 54.840 -0.276 0.000 0.893 119 L CB -0.108 41.708 42.059 -0.405 0.000 1.138 119 L HN 0.894 nan 8.230 nan 0.000 0.491 120 R N 0.980 121.291 120.500 -0.315 0.000 3.922 120 R HA -0.172 4.179 4.340 0.018 0.000 0.447 120 R C -0.164 176.148 176.300 0.019 0.000 1.035 120 R CA 1.120 57.139 56.100 -0.135 0.000 1.289 120 R CB -1.244 28.817 30.300 -0.399 0.000 1.906 120 R HN 0.650 nan 8.270 nan 0.000 0.540 121 R N 0.180 120.843 120.500 0.272 0.000 2.560 121 R HA 0.200 4.551 4.340 0.018 0.000 0.270 121 R C 1.127 177.631 176.300 0.339 0.000 1.074 121 R CA 0.082 56.380 56.100 0.331 0.000 1.140 121 R CB 0.449 30.944 30.300 0.325 0.000 1.073 121 R HN -0.028 nan 8.270 nan 0.000 0.527 122 T N 1.576 116.349 114.554 0.365 0.000 2.588 122 T HA -0.198 4.163 4.350 0.018 0.000 0.261 122 T C 1.837 176.688 174.700 0.251 0.000 1.069 122 T CA 2.007 64.310 62.100 0.339 0.000 1.172 122 T CB -0.228 68.828 68.868 0.314 0.000 0.863 122 T HN 0.746 nan 8.240 nan 0.000 0.408 123 A N 0.908 123.922 122.820 0.323 0.000 2.014 123 A HA 0.262 4.593 4.320 0.018 0.000 0.218 123 A C 2.468 180.218 177.584 0.277 0.000 1.163 123 A CA 1.536 53.755 52.037 0.302 0.000 0.652 123 A CB -0.946 18.346 19.000 0.487 0.000 0.808 123 A HN 0.535 nan 8.150 nan 0.000 0.449 124 G N -3.022 105.954 108.800 0.293 0.000 2.683 124 G HA2 0.069 4.040 3.960 0.018 0.000 0.213 124 G HA3 0.069 4.040 3.960 0.018 0.000 0.213 124 G C 1.112 176.314 174.900 0.504 0.000 1.142 124 G CA 0.808 46.117 45.100 0.348 0.000 0.793 124 G HN 0.608 nan 8.290 nan 0.000 0.534 125 W N -0.474 120.917 121.300 0.151 0.000 5.384 125 W HA 0.035 4.705 4.660 0.018 0.000 0.169 125 W C 1.306 177.836 176.519 0.019 0.000 2.358 125 W CA 0.181 57.585 57.345 0.100 0.000 2.043 125 W CB -0.332 29.177 29.460 0.081 0.000 0.884 125 W HN 0.053 nan 8.180 nan 0.000 1.055 126 N N 1.482 120.313 118.700 0.219 0.000 2.061 126 N HA -0.171 4.580 4.740 0.018 0.000 0.193 126 N C 1.502 177.002 175.510 -0.016 0.000 1.030 126 N CA 2.365 55.475 53.050 0.101 0.000 0.856 126 N CB -0.909 37.746 38.487 0.282 0.000 1.023 126 N HN 0.013 nan 8.380 nan 0.000 0.424 127 V N 2.071 121.988 119.914 0.005 0.000 2.283 127 V HA -0.098 4.033 4.120 0.018 0.000 0.243 127 V C -0.725 175.271 176.094 -0.163 0.000 1.039 127 V CA 1.647 63.913 62.300 -0.056 0.000 1.016 127 V CB -1.323 30.472 31.823 -0.047 0.000 0.650 127 V HN 0.276 nan 8.190 nan 0.000 0.449 128 P HA -0.123 nan 4.420 nan 0.000 0.216 128 P C 1.728 178.752 177.300 -0.460 0.000 1.153 128 P CA 1.467 64.254 63.100 -0.522 0.000 0.848 128 P CB -0.073 30.890 31.700 -1.229 0.000 0.787 129 I N 0.263 120.501 120.570 -0.553 0.000 2.394 129 I HA -0.064 4.117 4.170 0.018 0.000 0.251 129 I C 2.631 178.513 176.117 -0.393 0.000 1.136 129 I CA 1.073 62.018 61.300 -0.591 0.000 1.425 129 I CB -2.190 35.206 38.000 -1.007 0.000 1.079 129 I HN -0.009 nan 8.210 nan 0.000 0.425 130 G N -0.045 108.578 108.800 -0.296 0.000 2.422 130 G HA2 -0.212 3.759 3.960 0.018 0.000 0.218 130 G HA3 -0.212 3.759 3.960 0.018 0.000 0.218 130 G C 1.635 176.447 174.900 -0.146 0.000 1.146 130 G CA 1.326 46.317 45.100 -0.181 0.000 0.769 130 G HN 0.362 nan 8.290 nan 0.000 0.547 131 T N 1.009 115.484 114.554 -0.133 0.000 2.904 131 T HA 0.061 4.422 4.350 0.018 0.000 0.267 131 T C 2.183 176.850 174.700 -0.055 0.000 1.059 131 T CA 0.558 62.617 62.100 -0.067 0.000 1.137 131 T CB -0.043 68.813 68.868 -0.019 0.000 0.879 131 T HN 0.148 nan 8.240 nan 0.000 0.467 132 L N -0.005 121.153 121.223 -0.108 0.000 2.567 132 L HA 0.264 4.615 4.340 0.018 0.000 0.225 132 L C 2.600 179.340 176.870 -0.218 0.000 1.119 132 L CA -0.004 54.806 54.840 -0.050 0.000 0.871 132 L CB -0.275 41.664 42.059 -0.201 0.000 1.036 132 L HN 0.078 nan 8.230 nan 0.000 0.459 133 R N 1.113 121.467 120.500 -0.245 0.000 2.159 133 R HA -0.212 4.139 4.340 0.018 0.000 0.249 133 R C -0.459 175.697 176.300 -0.239 0.000 1.136 133 R CA 2.356 58.328 56.100 -0.212 0.000 0.951 133 R CB -1.344 28.875 30.300 -0.135 0.000 0.876 133 R HN 0.275 nan 8.270 nan 0.000 0.440 134 P HA -0.157 nan 4.420 nan 0.000 0.219 134 P C 0.721 177.770 177.300 -0.418 0.000 1.146 134 P CA 1.471 64.303 63.100 -0.446 0.000 0.808 134 P CB -0.175 31.130 31.700 -0.659 0.000 0.779 135 F N -1.346 118.524 119.950 -0.135 0.000 2.789 135 F HA 0.154 4.692 4.527 0.018 0.000 0.300 135 F C 2.307 178.000 175.800 -0.179 0.000 1.132 135 F CA 0.248 58.175 58.000 -0.121 0.000 1.404 135 F CB -1.007 37.888 39.000 -0.176 0.000 1.114 135 F HN -0.202 nan 8.300 nan 0.000 0.584 136 L N -0.545 120.604 121.223 -0.123 0.000 2.270 136 L HA -0.040 4.311 4.340 0.018 0.000 0.210 136 L C 0.701 177.620 176.870 0.081 0.000 1.104 136 L CA 0.423 55.196 54.840 -0.112 0.000 0.804 136 L CB -0.359 41.599 42.059 -0.168 0.000 0.937 136 L HN 0.147 nan 8.230 nan 0.000 0.450 137 N N -0.105 118.648 118.700 0.089 0.000 2.725 137 N HA -0.232 4.519 4.740 0.018 0.000 0.251 137 N C -0.756 174.856 175.510 0.170 0.000 1.031 137 N CA 0.543 53.657 53.050 0.107 0.000 0.720 137 N CB -0.928 37.626 38.487 0.111 0.000 0.930 137 N HN 0.373 nan 8.380 nan 0.000 0.543 138 W N 1.244 122.523 121.300 -0.035 0.000 2.331 138 W HA 0.326 4.997 4.660 0.018 0.000 0.306 138 W C 1.561 178.067 176.519 -0.022 0.000 1.162 138 W CA -0.152 57.178 57.345 -0.025 0.000 1.232 138 W CB 0.228 29.660 29.460 -0.047 0.000 1.235 138 W HN 0.176 nan 8.180 nan 0.000 0.479 139 T N 3.141 117.535 114.554 -0.267 0.000 3.113 139 T HA 0.370 4.731 4.350 0.018 0.000 0.263 139 T C 0.979 175.250 174.700 -0.715 0.000 1.143 139 T CA 0.603 62.486 62.100 -0.361 0.000 1.090 139 T CB -0.671 68.089 68.868 -0.181 0.000 0.922 139 T HN 1.275 nan 8.240 nan 0.000 0.521 140 G N 1.534 109.351 108.800 -1.638 0.000 2.631 140 G HA2 0.040 4.011 3.960 0.018 0.000 0.504 140 G HA3 0.040 4.011 3.960 0.018 0.000 0.504 140 G C -3.093 171.290 174.900 -0.861 0.000 1.306 140 G CA -0.908 43.048 45.100 -1.906 0.000 0.897 140 G HN 0.333 nan 8.290 nan 0.000 0.520 141 P HA 0.233 nan 4.420 nan 0.000 0.269 141 P C -1.444 175.827 177.300 -0.048 0.000 1.215 141 P CA -0.538 62.570 63.100 0.013 0.000 0.780 141 P CB 0.337 32.067 31.700 0.049 0.000 0.898 142 P HA 0.059 nan 4.420 nan 0.000 0.255 142 P C 0.085 177.490 177.300 0.176 0.000 1.248 142 P CA 0.335 63.493 63.100 0.097 0.000 0.807 142 P CB 0.215 31.955 31.700 0.067 0.000 1.150 143 E N 3.313 123.637 120.200 0.207 0.000 2.351 143 E HA 0.110 4.471 4.350 0.018 0.000 0.266 143 E C -1.957 174.942 176.600 0.499 0.000 1.031 143 E CA -2.045 54.548 56.400 0.322 0.000 0.911 143 E CB 0.397 30.291 29.700 0.324 0.000 0.986 143 E HN 0.126 nan 8.360 nan 0.000 0.446 144 P HA -0.074 nan 4.420 nan 0.000 0.271 144 P C 0.838 178.096 177.300 -0.069 0.000 1.220 144 P CA -0.222 62.987 63.100 0.181 0.000 0.768 144 P CB 0.781 32.597 31.700 0.193 0.000 0.848 145 I N 2.785 123.097 120.570 -0.431 0.000 2.399 145 I HA -0.252 3.929 4.170 0.018 0.000 0.254 145 I C 1.616 177.439 176.117 -0.490 0.000 1.146 145 I CA 1.759 62.474 61.300 -0.975 0.000 1.412 145 I CB -0.971 36.394 38.000 -1.057 0.000 1.076 145 I HN 0.349 nan 8.210 nan 0.000 0.432 146 E N 0.864 120.839 120.200 -0.376 0.000 2.070 146 E HA -0.205 4.156 4.350 0.018 0.000 0.197 146 E C 2.298 178.679 176.600 -0.366 0.000 1.004 146 E CA 1.718 57.835 56.400 -0.471 0.000 0.805 146 E CB -0.476 28.445 29.700 -1.299 0.000 0.744 146 E HN 0.554 nan 8.360 nan 0.000 0.451 147 A N 0.917 123.597 122.820 -0.233 0.000 1.917 147 A HA -0.194 4.137 4.320 0.018 0.000 0.219 147 A C 2.375 180.010 177.584 0.085 0.000 1.182 147 A CA 2.166 54.274 52.037 0.118 0.000 0.633 147 A CB -0.931 18.232 19.000 0.273 0.000 0.819 147 A HN 0.306 nan 8.150 nan 0.000 0.448 148 A N -0.806 122.011 122.820 -0.005 0.000 1.969 148 A HA 0.072 4.403 4.320 0.018 0.000 0.218 148 A C 2.186 179.785 177.584 0.024 0.000 1.169 148 A CA 1.657 53.710 52.037 0.028 0.000 0.635 148 A CB -0.706 18.273 19.000 -0.035 0.000 0.810 148 A HN 0.399 nan 8.150 nan 0.000 0.445 149 V N -0.258 119.641 119.914 -0.024 0.000 2.379 149 V HA -0.176 3.955 4.120 0.018 0.000 0.245 149 V C 2.988 179.212 176.094 0.216 0.000 1.044 149 V CA 1.660 63.999 62.300 0.066 0.000 1.036 149 V CB -1.161 30.712 31.823 0.083 0.000 0.664 149 V HN 0.575 nan 8.190 nan 0.000 0.453 150 A N 0.012 122.943 122.820 0.185 0.000 2.019 150 A HA -0.194 4.137 4.320 0.018 0.000 0.219 150 A C 2.371 180.073 177.584 0.196 0.000 1.164 150 A CA 1.584 53.754 52.037 0.222 0.000 0.644 150 A CB -0.401 18.743 19.000 0.241 0.000 0.805 150 A HN 0.542 nan 8.150 nan 0.000 0.449 151 R N -2.626 117.975 120.500 0.169 0.000 2.173 151 R HA 0.113 4.464 4.340 0.018 0.000 0.208 151 R C 1.860 178.231 176.300 0.119 0.000 1.035 151 R CA 0.890 57.073 56.100 0.138 0.000 1.004 151 R CB -0.288 30.092 30.300 0.133 0.000 0.917 151 R HN 0.564 nan 8.270 nan 0.000 0.462 152 F N 1.032 120.953 119.950 -0.048 0.000 2.074 152 F HA 0.018 4.556 4.527 0.018 0.000 0.293 152 F C 0.408 176.092 175.800 -0.194 0.000 1.116 152 F CA 0.857 58.744 58.000 -0.188 0.000 1.212 152 F CB -0.009 38.763 39.000 -0.379 0.000 0.998 152 F HN -0.270 nan 8.300 nan 0.000 0.471 153 F N 0.904 120.976 119.950 0.203 0.000 2.412 153 F HA 0.169 4.707 4.527 0.018 0.000 0.348 153 F C 1.813 177.641 175.800 0.046 0.000 1.102 153 F CA -0.075 57.981 58.000 0.093 0.000 1.196 153 F CB 0.721 39.858 39.000 0.229 0.000 1.144 153 F HN 0.000 nan 8.300 nan 0.000 0.541 154 S N 2.011 117.820 115.700 0.181 0.000 2.399 154 S HA 0.275 4.756 4.470 0.018 0.000 0.231 154 S C 0.546 175.228 174.600 0.136 0.000 1.022 154 S CA 0.583 58.846 58.200 0.105 0.000 0.983 154 S CB -0.210 63.016 63.200 0.045 0.000 0.803 154 S HN 0.909 nan 8.310 nan 0.000 0.480 155 A N -0.162 122.762 122.820 0.173 0.000 2.583 155 A HA 0.650 4.981 4.320 0.018 0.000 0.298 155 A C -0.662 177.009 177.584 0.145 0.000 1.055 155 A CA -0.455 51.674 52.037 0.153 0.000 0.714 155 A CB 0.862 19.925 19.000 0.106 0.000 1.277 155 A HN 0.642 nan 8.150 nan 0.000 0.406 156 S N -0.573 115.219 115.700 0.153 0.000 2.638 156 S HA 0.679 5.160 4.470 0.018 0.000 0.274 156 S C -0.911 173.788 174.600 0.165 0.000 1.157 156 S CA -0.650 57.635 58.200 0.141 0.000 0.826 156 S CB 1.366 64.661 63.200 0.159 0.000 1.139 156 S HN 1.761 nan 8.310 nan 0.000 0.474 157 c N 2.471 121.189 118.600 0.197 0.000 2.239 157 c HA 0.725 5.306 4.570 0.018 0.000 0.323 157 c C -0.558 173.677 174.090 0.242 0.000 1.205 157 c CA -0.158 56.302 56.329 0.218 0.000 1.584 157 c CB -1.505 41.162 42.510 0.263 0.000 2.201 157 c HN 0.613 nan 8.230 nan 0.000 0.475 158 V N 8.765 128.779 119.914 0.165 0.000 2.276 158 V HA 0.298 4.429 4.120 0.018 0.000 0.268 158 V C -2.198 173.974 176.094 0.130 0.000 1.032 158 V CA -1.415 60.956 62.300 0.117 0.000 0.810 158 V CB 0.733 32.521 31.823 -0.058 0.000 1.060 158 V HN 0.711 nan 8.190 nan 0.000 0.446 159 P HA 0.221 nan 4.420 nan 0.000 0.262 159 P C 1.143 178.661 177.300 0.363 0.000 1.182 159 P CA 1.498 64.745 63.100 0.246 0.000 0.761 159 P CB 0.690 32.577 31.700 0.311 0.000 0.795 160 G N 1.732 110.708 108.800 0.294 0.000 2.194 160 G HA2 -0.144 3.827 3.960 0.018 0.000 0.236 160 G HA3 -0.144 3.827 3.960 0.018 0.000 0.236 160 G C 0.423 175.373 174.900 0.083 0.000 0.987 160 G CA -0.042 45.217 45.100 0.265 0.000 0.635 160 G HN 0.836 nan 8.290 nan 0.000 0.520 161 A N 0.198 123.049 122.820 0.052 0.000 2.386 161 A HA 0.519 4.850 4.320 0.018 0.000 0.248 161 A C 0.433 178.092 177.584 0.125 0.000 1.082 161 A CA 0.618 52.678 52.037 0.039 0.000 0.789 161 A CB 0.345 19.352 19.000 0.013 0.000 1.025 161 A HN 0.526 nan 8.150 nan 0.000 0.490 162 D N 0.845 121.376 120.400 0.219 0.000 2.398 162 D HA 0.083 4.734 4.640 0.018 0.000 0.250 162 D C 1.286 177.644 176.300 0.095 0.000 1.287 162 D CA -0.019 54.059 54.000 0.130 0.000 0.992 162 D CB 0.334 41.180 40.800 0.078 0.000 1.071 162 D HN 0.531 nan 8.370 nan 0.000 0.514 163 K N 1.937 122.381 120.400 0.073 0.000 2.152 163 K HA -0.116 4.215 4.320 0.018 0.000 0.206 163 K C 1.864 178.471 176.600 0.011 0.000 1.048 163 K CA 1.352 57.678 56.287 0.065 0.000 0.933 163 K CB -0.344 32.189 32.500 0.054 0.000 0.721 163 K HN 0.278 nan 8.250 nan 0.000 0.447 164 G N 0.480 109.262 108.800 -0.031 0.000 2.418 164 G HA2 -0.258 3.713 3.960 0.018 0.000 0.217 164 G HA3 -0.258 3.713 3.960 0.018 0.000 0.217 164 G C 1.534 176.345 174.900 -0.148 0.000 1.158 164 G CA 0.602 45.661 45.100 -0.067 0.000 0.771 164 G HN 0.410 nan 8.290 nan 0.000 0.545 165 Q N -1.122 118.503 119.800 -0.292 0.000 2.302 165 Q HA 0.135 4.486 4.340 0.018 0.000 0.202 165 Q C -0.084 175.434 176.000 -0.802 0.000 0.936 165 Q CA 0.357 55.776 55.803 -0.640 0.000 0.886 165 Q CB 0.313 28.462 28.738 -0.982 0.000 0.986 165 Q HN 0.487 nan 8.270 nan 0.000 0.487 166 F N -0.718 119.253 119.950 0.034 0.000 2.564 166 F HA 0.337 4.875 4.527 0.019 0.000 0.329 166 F C -2.075 173.757 175.800 0.054 0.000 1.458 166 F CA -2.248 55.781 58.000 0.048 0.000 1.117 166 F CB 1.107 40.134 39.000 0.044 0.000 1.383 166 F HN -0.031 nan 8.300 nan 0.000 0.571 167 P HA -0.118 nan 4.420 nan 0.000 0.217 167 P C 1.572 178.951 177.300 0.133 0.000 1.150 167 P CA 1.265 64.430 63.100 0.109 0.000 0.832 167 P CB 0.399 32.139 31.700 0.067 0.000 0.787 168 N N -0.587 118.208 118.700 0.158 0.000 2.149 168 N HA -0.100 4.651 4.740 0.018 0.000 0.188 168 N C 1.568 177.182 175.510 0.174 0.000 1.019 168 N CA 0.923 54.069 53.050 0.160 0.000 0.857 168 N CB -0.894 37.699 38.487 0.177 0.000 0.997 168 N HN 0.091 nan 8.380 nan 0.000 0.426 169 L N -0.881 120.460 121.223 0.197 0.000 2.456 169 L HA -0.085 4.266 4.340 0.018 0.000 0.224 169 L C 0.908 177.866 176.870 0.146 0.000 1.148 169 L CA 0.579 55.524 54.840 0.175 0.000 0.825 169 L CB -0.130 42.028 42.059 0.165 0.000 0.937 169 L HN 0.283 nan 8.230 nan 0.000 0.450 170 c N -1.987 116.697 118.600 0.141 0.000 3.243 170 c HA 0.150 4.731 4.570 0.018 0.000 0.286 170 c C 2.410 176.568 174.090 0.114 0.000 1.373 170 c CA -0.615 55.787 56.329 0.123 0.000 1.749 170 c CB -0.044 42.528 42.510 0.104 0.000 2.313 170 c HN 0.380 nan 8.230 nan 0.000 0.644 171 R N 1.409 121.980 120.500 0.118 0.000 2.070 171 R HA 0.031 4.382 4.340 0.018 0.000 0.232 171 R C 1.859 178.225 176.300 0.110 0.000 1.138 171 R CA 1.622 57.784 56.100 0.103 0.000 0.936 171 R CB -0.455 29.906 30.300 0.102 0.000 0.839 171 R HN 0.451 nan 8.270 nan 0.000 0.429 172 L N -0.005 121.299 121.223 0.135 0.000 2.465 172 L HA -0.036 4.315 4.340 0.018 0.000 0.224 172 L C 0.580 177.595 176.870 0.243 0.000 1.145 172 L CA -0.215 54.725 54.840 0.167 0.000 0.834 172 L CB -0.328 41.820 42.059 0.149 0.000 0.944 172 L HN 0.227 nan 8.230 nan 0.000 0.451 173 c N 0.206 118.927 118.600 0.201 0.000 2.741 173 c HA 0.160 4.741 4.570 0.018 0.000 0.403 173 c C 1.759 175.864 174.090 0.024 0.000 1.282 173 c CA 0.232 56.674 56.329 0.189 0.000 2.053 173 c CB 0.744 43.334 42.510 0.135 0.000 2.731 173 c HN 0.545 nan 8.230 nan 0.000 0.680 174 A N 1.445 124.149 122.820 -0.194 0.000 2.431 174 A HA 0.451 4.782 4.320 0.018 0.000 0.239 174 A C 1.131 178.592 177.584 -0.205 0.000 1.230 174 A CA 0.579 52.410 52.037 -0.345 0.000 0.928 174 A CB -0.483 17.971 19.000 -0.911 0.000 1.006 174 A HN 1.083 nan 8.150 nan 0.000 0.520 175 G N -0.282 108.444 108.800 -0.125 0.000 2.562 175 G HA2 0.359 4.330 3.960 0.018 0.000 0.233 175 G HA3 0.359 4.330 3.960 0.018 0.000 0.233 175 G C -0.201 174.665 174.900 -0.058 0.000 1.266 175 G CA 0.408 45.461 45.100 -0.078 0.000 0.852 175 G HN 0.101 nan 8.290 nan 0.000 0.581 176 T N 1.200 115.726 114.554 -0.048 0.000 2.743 176 T HA 0.536 4.897 4.350 0.018 0.000 0.292 176 T C 1.170 175.856 174.700 -0.023 0.000 0.972 176 T CA 1.092 63.171 62.100 -0.035 0.000 0.967 176 T CB 0.636 69.484 68.868 -0.034 0.000 0.926 176 T HN 1.642 nan 8.240 nan 0.000 0.459 177 G N 4.280 113.070 108.800 -0.016 0.000 2.687 177 G HA2 -0.271 3.700 3.960 0.018 0.000 0.303 177 G HA3 -0.271 3.700 3.960 0.018 0.000 0.303 177 G C 0.909 175.803 174.900 -0.009 0.000 1.209 177 G CA 0.260 45.353 45.100 -0.011 0.000 0.968 177 G HN 0.607 nan 8.290 nan 0.000 0.549 178 E N 1.491 121.684 120.200 -0.011 0.000 2.371 178 E HA 0.031 4.392 4.350 0.018 0.000 0.194 178 E C 1.836 178.428 176.600 -0.014 0.000 1.012 178 E CA 0.340 56.734 56.400 -0.010 0.000 0.860 178 E CB -0.104 29.589 29.700 -0.011 0.000 0.811 178 E HN 0.446 nan 8.360 nan 0.000 0.502 179 N N 1.596 120.284 118.700 -0.020 0.000 2.398 179 N HA -0.047 4.704 4.740 0.018 0.000 0.188 179 N C 0.437 175.932 175.510 -0.025 0.000 1.122 179 N CA 0.198 53.231 53.050 -0.029 0.000 0.866 179 N CB 0.191 38.656 38.487 -0.036 0.000 0.970 179 N HN 0.027 nan 8.380 nan 0.000 0.462 180 K N 0.587 120.979 120.400 -0.014 0.000 2.378 180 K HA 0.078 4.409 4.320 0.018 0.000 0.288 180 K C 0.459 177.070 176.600 0.019 0.000 1.057 180 K CA -0.064 56.221 56.287 -0.003 0.000 0.971 180 K CB 0.059 32.561 32.500 0.002 0.000 0.975 180 K HN 0.131 nan 8.250 nan 0.000 0.475 181 c N 3.309 121.930 118.600 0.034 0.000 4.549 181 c HA -0.139 4.442 4.570 0.018 0.000 0.290 181 c C 0.418 174.543 174.090 0.059 0.000 1.328 181 c CA 0.326 56.697 56.329 0.069 0.000 2.002 181 c CB -2.427 40.130 42.510 0.079 0.000 1.238 181 c HN 0.965 nan 8.230 nan 0.000 0.780 182 A N 0.068 122.894 122.820 0.010 0.000 2.340 182 A HA 0.613 4.944 4.320 0.018 0.000 0.268 182 A C -0.242 177.278 177.584 -0.107 0.000 1.100 182 A CA -0.057 51.963 52.037 -0.028 0.000 0.803 182 A CB 0.121 19.077 19.000 -0.073 0.000 1.043 182 A HN 1.103 nan 8.150 nan 0.000 0.488 183 F N 3.067 122.860 119.950 -0.261 0.000 2.640 183 F HA 0.381 4.919 4.527 0.018 0.000 0.354 183 F C 0.788 176.043 175.800 -0.909 0.000 1.213 183 F CA 0.990 58.700 58.000 -0.484 0.000 1.314 183 F CB -0.346 38.545 39.000 -0.181 0.000 1.679 183 F HN 0.687 nan 8.300 nan 0.000 0.622 184 S N -1.049 113.846 115.700 -1.342 0.000 2.643 184 S HA 0.164 4.645 4.470 0.018 0.000 0.266 184 S C 0.578 174.791 174.600 -0.645 0.000 1.130 184 S CA -0.299 57.295 58.200 -1.010 0.000 0.817 184 S CB 0.640 63.619 63.200 -0.369 0.000 1.107 184 S HN 0.159 nan 8.310 nan 0.000 0.471 185 S N 0.050 115.641 115.700 -0.180 0.000 2.474 185 S HA -0.108 4.373 4.470 0.018 0.000 0.235 185 S C 1.556 176.154 174.600 -0.003 0.000 0.997 185 S CA 0.805 59.034 58.200 0.049 0.000 0.949 185 S CB -0.572 62.676 63.200 0.079 0.000 0.766 185 S HN 0.578 nan 8.310 nan 0.000 0.517 186 Q N 1.336 121.096 119.800 -0.067 0.000 2.181 186 Q HA -0.008 4.343 4.340 0.018 0.000 0.205 186 Q C 0.787 176.759 176.000 -0.046 0.000 0.980 186 Q CA 1.362 57.135 55.803 -0.051 0.000 0.862 186 Q CB -0.436 28.263 28.738 -0.064 0.000 0.905 186 Q HN 0.798 nan 8.270 nan 0.000 0.429 187 E N 1.421 121.589 120.200 -0.053 0.000 2.052 187 E HA 0.061 4.422 4.350 0.018 0.000 0.283 187 E C -1.879 174.750 176.600 0.049 0.000 1.071 187 E CA -1.983 54.407 56.400 -0.017 0.000 0.851 187 E CB 1.023 30.724 29.700 0.000 0.000 1.066 187 E HN -0.065 nan 8.360 nan 0.000 0.396 188 P HA -0.159 nan 4.420 nan 0.000 0.221 188 P C -0.029 177.393 177.300 0.203 0.000 1.145 188 P CA 0.995 64.102 63.100 0.013 0.000 0.795 188 P CB 0.093 31.708 31.700 -0.142 0.000 0.775 189 Y N -1.521 118.830 120.300 0.084 0.000 2.625 189 Y HA 0.290 4.851 4.550 0.018 0.000 0.285 189 Y C 0.709 176.674 175.900 0.110 0.000 1.168 189 Y CA -2.165 55.982 58.100 0.078 0.000 1.250 189 Y CB -1.158 37.343 38.460 0.067 0.000 1.130 189 Y HN -0.132 nan 8.280 nan 0.000 0.526 190 F N 0.409 120.417 119.950 0.097 0.000 2.384 190 F HA 0.504 5.042 4.527 0.019 0.000 0.338 190 F C 0.916 176.683 175.800 -0.055 0.000 1.103 190 F CA -0.096 57.884 58.000 -0.033 0.000 1.157 190 F CB 0.744 39.676 39.000 -0.113 0.000 1.167 190 F HN 0.018 nan 8.300 nan 0.000 0.529 191 S N 3.513 118.601 115.700 -1.019 0.000 3.845 191 S HA -0.278 4.203 4.470 0.018 0.000 0.641 191 S C 0.650 175.019 174.600 -0.384 0.000 1.900 191 S CA 0.335 57.970 58.200 -0.942 0.000 2.062 191 S CB -1.026 61.619 63.200 -0.926 0.000 0.327 191 S HN 0.794 nan 8.310 nan 0.000 1.788 192 Y N 1.146 121.334 120.300 -0.187 0.000 2.014 192 Y HA -0.174 4.387 4.550 0.019 0.000 0.272 192 Y C 2.982 178.853 175.900 -0.047 0.000 1.164 192 Y CA 2.235 60.274 58.100 -0.102 0.000 1.114 192 Y CB -1.154 37.229 38.460 -0.128 0.000 0.961 192 Y HN 0.553 nan 8.280 nan 0.000 0.489 193 S N -0.468 115.316 115.700 0.141 0.000 2.402 193 S HA -0.100 4.381 4.470 0.018 0.000 0.229 193 S C 2.341 177.021 174.600 0.133 0.000 1.021 193 S CA 0.902 59.188 58.200 0.143 0.000 0.974 193 S CB -0.889 62.378 63.200 0.110 0.000 0.800 193 S HN 0.653 nan 8.310 nan 0.000 0.484 194 G N 1.449 110.305 108.800 0.092 0.000 2.402 194 G HA2 -0.043 3.928 3.960 0.018 0.000 0.216 194 G HA3 -0.043 3.928 3.960 0.018 0.000 0.216 194 G C 1.538 176.480 174.900 0.070 0.000 1.162 194 G CA 0.800 45.989 45.100 0.148 0.000 0.777 194 G HN 0.564 nan 8.290 nan 0.000 0.539 195 A N 0.134 122.971 122.820 0.029 0.000 1.969 195 A HA 0.117 4.448 4.320 0.018 0.000 0.218 195 A C 2.131 179.691 177.584 -0.039 0.000 1.169 195 A CA 1.394 53.414 52.037 -0.027 0.000 0.635 195 A CB -0.476 18.535 19.000 0.019 0.000 0.810 195 A HN 0.345 nan 8.150 nan 0.000 0.445 196 F N 0.543 120.409 119.950 -0.139 0.000 2.186 196 F HA -0.026 4.513 4.527 0.019 0.000 0.299 196 F C 2.069 177.752 175.800 -0.195 0.000 1.090 196 F CA 1.646 59.536 58.000 -0.183 0.000 1.307 196 F CB -0.213 38.684 39.000 -0.171 0.000 1.019 196 F HN 0.138 nan 8.300 nan 0.000 0.489 197 K N -0.541 119.731 120.400 -0.214 0.000 2.057 197 K HA -0.225 4.106 4.320 0.018 0.000 0.206 197 K C 2.465 178.803 176.600 -0.437 0.000 1.050 197 K CA 1.387 57.515 56.287 -0.265 0.000 0.935 197 K CB -0.872 31.643 32.500 0.026 0.000 0.715 197 K HN 0.442 nan 8.250 nan 0.000 0.439 198 c N 1.241 119.345 118.600 -0.828 0.000 2.398 198 c HA -0.164 4.417 4.570 0.018 0.000 0.279 198 c C 2.526 176.301 174.090 -0.525 0.000 1.250 198 c CA 1.052 56.636 56.329 -1.241 0.000 1.786 198 c CB -0.897 40.953 42.510 -1.101 0.000 2.018 198 c HN 0.543 nan 8.230 nan 0.000 0.494 199 L N 1.006 122.008 121.223 -0.367 0.000 2.102 199 L HA 0.109 4.460 4.340 0.018 0.000 0.202 199 L C 2.806 179.566 176.870 -0.183 0.000 1.076 199 L CA 1.621 56.333 54.840 -0.215 0.000 0.761 199 L CB -0.916 41.064 42.059 -0.131 0.000 0.921 199 L HN 0.231 nan 8.230 nan 0.000 0.444 200 R N 0.022 120.320 120.500 -0.336 0.000 2.096 200 R HA -0.186 4.165 4.340 0.018 0.000 0.240 200 R C 1.684 177.918 176.300 -0.109 0.000 1.139 200 R CA 1.743 57.700 56.100 -0.239 0.000 0.952 200 R CB -0.828 29.213 30.300 -0.433 0.000 0.854 200 R HN 0.454 nan 8.270 nan 0.000 0.436 201 D N -0.973 119.361 120.400 -0.110 0.000 2.350 201 D HA -0.029 4.622 4.640 0.018 0.000 0.216 201 D C 1.235 177.525 176.300 -0.016 0.000 0.968 201 D CA 1.300 55.285 54.000 -0.024 0.000 0.894 201 D CB -0.049 40.789 40.800 0.063 0.000 0.909 201 D HN 0.537 nan 8.370 nan 0.000 0.520 202 G N 0.063 108.838 108.800 -0.041 0.000 2.159 202 G HA2 -0.331 3.640 3.960 0.018 0.000 0.256 202 G HA3 -0.331 3.640 3.960 0.018 0.000 0.256 202 G C 1.244 176.134 174.900 -0.016 0.000 0.977 202 G CA 0.713 45.800 45.100 -0.022 0.000 0.652 202 G HN 0.520 nan 8.290 nan 0.000 0.531 203 A N -0.334 122.469 122.820 -0.028 0.000 1.930 203 A HA 0.534 4.865 4.320 0.018 0.000 0.217 203 A C 1.777 179.347 177.584 -0.024 0.000 1.175 203 A CA 2.284 54.323 52.037 0.003 0.000 0.627 203 A CB -0.218 18.814 19.000 0.054 0.000 0.815 203 A HN 1.880 nan 8.150 nan 0.000 0.443 204 G N -2.151 106.604 108.800 -0.076 0.000 2.568 204 G HA2 0.466 4.437 3.960 0.018 0.000 0.313 204 G HA3 0.466 4.437 3.960 0.018 0.000 0.313 204 G C -0.463 174.405 174.900 -0.054 0.000 1.227 204 G CA -0.034 45.019 45.100 -0.078 0.000 0.979 204 G HN 0.045 nan 8.290 nan 0.000 0.486 205 D N -1.319 119.051 120.400 -0.050 0.000 2.338 205 D HA 0.068 4.719 4.640 0.018 0.000 0.208 205 D C 0.367 176.709 176.300 0.069 0.000 0.997 205 D CA 0.641 54.661 54.000 0.033 0.000 0.880 205 D CB 1.462 42.245 40.800 -0.029 0.000 0.980 205 D HN 0.128 nan 8.370 nan 0.000 0.509 206 V N 0.311 120.164 119.914 -0.100 0.000 2.760 206 V HA 0.672 4.803 4.120 0.018 0.000 0.309 206 V C -1.690 174.121 176.094 -0.472 0.000 1.077 206 V CA -0.758 61.395 62.300 -0.246 0.000 0.910 206 V CB 1.925 33.562 31.823 -0.309 0.000 1.008 206 V HN 0.075 nan 8.190 nan 0.000 0.424 207 A N 5.901 128.459 122.820 -0.436 0.000 2.318 207 A HA 0.861 5.192 4.320 0.018 0.000 0.317 207 A C -1.264 176.054 177.584 -0.444 0.000 1.159 207 A CA -0.362 51.442 52.037 -0.388 0.000 0.799 207 A CB 0.814 19.748 19.000 -0.109 0.000 1.194 207 A HN 0.724 nan 8.150 nan 0.000 0.479 208 F N 3.849 123.729 119.950 -0.116 0.000 2.313 208 F HA 0.525 5.063 4.527 0.018 0.000 0.369 208 F C 0.617 176.444 175.800 0.046 0.000 1.109 208 F CA -0.429 57.541 58.000 -0.050 0.000 1.132 208 F CB 0.423 39.349 39.000 -0.123 0.000 1.291 208 F HN 0.582 nan 8.300 nan 0.000 0.496 209 I N 0.092 120.801 120.570 0.231 0.000 3.631 209 I HA 0.726 4.907 4.170 0.018 0.000 0.294 209 I C -0.742 175.508 176.117 0.220 0.000 1.154 209 I CA -1.726 59.726 61.300 0.254 0.000 1.092 209 I CB 2.077 40.150 38.000 0.121 0.000 1.367 209 I HN 0.319 nan 8.210 nan 0.000 0.470 210 R N 0.348 120.890 120.500 0.069 0.000 2.782 210 R HA 0.373 4.724 4.340 0.018 0.000 0.258 210 R C 0.758 176.939 176.300 -0.198 0.000 1.055 210 R CA -0.461 55.608 56.100 -0.053 0.000 1.065 210 R CB 0.861 30.983 30.300 -0.297 0.000 1.172 210 R HN 0.711 nan 8.270 nan 0.000 0.510 211 E N 0.945 120.997 120.200 -0.246 0.000 2.204 211 E HA -0.172 4.189 4.350 0.018 0.000 0.195 211 E C 0.882 177.259 176.600 -0.371 0.000 0.990 211 E CA 1.977 58.123 56.400 -0.424 0.000 0.821 211 E CB -0.147 28.916 29.700 -1.062 0.000 0.750 211 E HN 0.699 nan 8.360 nan 0.000 0.477 212 S N 0.092 115.550 115.700 -0.405 0.000 2.458 212 S HA -0.012 4.469 4.470 0.018 0.000 0.223 212 S C 2.022 176.511 174.600 -0.185 0.000 1.019 212 S CA 0.818 58.844 58.200 -0.290 0.000 0.937 212 S CB -0.431 62.515 63.200 -0.423 0.000 0.788 212 S HN 0.206 nan 8.310 nan 0.000 0.511 213 T N 2.720 117.072 114.554 -0.338 0.000 2.653 213 T HA -0.140 4.221 4.350 0.018 0.000 0.268 213 T C 1.840 176.236 174.700 -0.507 0.000 1.035 213 T CA 1.645 63.515 62.100 -0.384 0.000 1.154 213 T CB -0.848 67.780 68.868 -0.399 0.000 0.862 213 T HN 0.339 nan 8.240 nan 0.000 0.441 214 V N 0.407 119.919 119.914 -0.670 0.000 2.594 214 V HA -0.095 4.036 4.120 0.018 0.000 0.253 214 V C 1.802 177.556 176.094 -0.566 0.000 1.069 214 V CA 1.613 63.383 62.300 -0.883 0.000 1.082 214 V CB -0.691 30.595 31.823 -0.895 0.000 0.680 214 V HN 0.504 nan 8.190 nan 0.000 0.469 215 F N 0.568 120.364 119.950 -0.257 0.000 2.387 215 F HA 0.159 4.698 4.527 0.020 0.000 0.294 215 F C 2.370 178.093 175.800 -0.128 0.000 1.093 215 F CA 1.159 59.070 58.000 -0.149 0.000 1.420 215 F CB -0.418 38.503 39.000 -0.132 0.000 1.086 215 F HN 0.185 nan 8.300 nan 0.000 0.531 216 E N 0.222 120.426 120.200 0.007 0.000 2.150 216 E HA -0.169 4.192 4.350 0.018 0.000 0.193 216 E C 1.039 177.630 176.600 -0.015 0.000 0.985 216 E CA 1.387 57.769 56.400 -0.029 0.000 0.814 216 E CB -0.118 29.532 29.700 -0.083 0.000 0.752 216 E HN 0.340 nan 8.360 nan 0.000 0.466 217 D N -0.359 120.026 120.400 -0.026 0.000 2.355 217 D HA 0.101 4.752 4.640 0.018 0.000 0.206 217 D C 0.065 176.408 176.300 0.071 0.000 1.010 217 D CA 0.397 54.430 54.000 0.055 0.000 0.875 217 D CB 0.569 41.475 40.800 0.177 0.000 0.966 217 D HN 0.045 nan 8.370 nan 0.000 0.512 218 L N 1.395 122.633 121.223 0.025 0.000 2.316 218 L HA 0.244 4.595 4.340 0.018 0.000 0.280 218 L C 1.466 178.342 176.870 0.010 0.000 1.006 218 L CA -0.408 54.448 54.840 0.026 0.000 0.836 218 L CB 1.935 44.008 42.059 0.023 0.000 1.221 218 L HN -0.143 nan 8.230 nan 0.000 0.418 219 S N 0.867 116.581 115.700 0.023 0.000 2.335 219 S HA -0.071 4.410 4.470 0.018 0.000 0.216 219 S C 0.538 175.154 174.600 0.026 0.000 1.032 219 S CA 0.404 58.620 58.200 0.026 0.000 1.000 219 S CB -0.186 63.028 63.200 0.023 0.000 0.928 219 S HN 0.586 nan 8.310 nan 0.000 0.434 220 D N 2.485 122.899 120.400 0.023 0.000 2.417 220 D HA 0.281 4.933 4.640 0.018 0.000 0.250 220 D C 0.657 176.969 176.300 0.020 0.000 1.166 220 D CA 0.095 54.108 54.000 0.022 0.000 0.881 220 D CB 1.091 41.903 40.800 0.020 0.000 1.164 220 D HN 0.474 nan 8.370 nan 0.000 0.467 221 E N 1.645 121.858 120.200 0.021 0.000 2.482 221 E HA 0.010 4.371 4.350 0.018 0.000 0.196 221 E C 1.577 178.185 176.600 0.013 0.000 1.047 221 E CA 0.354 56.764 56.400 0.016 0.000 0.869 221 E CB -0.031 29.691 29.700 0.035 0.000 0.836 221 E HN 0.401 nan 8.360 nan 0.000 0.520 222 A N 1.109 123.938 122.820 0.014 0.000 1.929 222 A HA -0.179 4.152 4.320 0.018 0.000 0.216 222 A C 2.153 179.744 177.584 0.012 0.000 1.176 222 A CA 1.451 53.492 52.037 0.008 0.000 0.628 222 A CB -0.344 18.658 19.000 0.004 0.000 0.816 222 A HN 0.251 nan 8.150 nan 0.000 0.444 223 E N -0.212 120.008 120.200 0.033 0.000 2.152 223 E HA -0.109 4.252 4.350 0.018 0.000 0.192 223 E C 2.182 178.871 176.600 0.148 0.000 0.983 223 E CA 0.695 57.141 56.400 0.075 0.000 0.818 223 E CB -0.048 29.712 29.700 0.100 0.000 0.758 223 E HN 0.504 nan 8.360 nan 0.000 0.467 224 R N 0.226 120.774 120.500 0.080 0.000 2.120 224 R HA -0.121 4.230 4.340 0.018 0.000 0.234 224 R C 0.961 177.294 176.300 0.055 0.000 1.123 224 R CA 1.545 57.664 56.100 0.032 0.000 0.975 224 R CB -0.186 30.031 30.300 -0.137 0.000 0.866 224 R HN 0.230 nan 8.270 nan 0.000 0.446 225 D N 0.074 120.489 120.400 0.025 0.000 2.340 225 D HA -0.025 4.626 4.640 0.018 0.000 0.220 225 D C 0.978 177.254 176.300 -0.040 0.000 1.039 225 D CA 0.349 54.349 54.000 0.001 0.000 0.866 225 D CB 0.303 41.099 40.800 -0.007 0.000 0.913 225 D HN 0.203 nan 8.370 nan 0.000 0.523 226 E N -0.725 119.433 120.200 -0.071 0.000 2.502 226 E HA 0.012 4.373 4.350 0.018 0.000 0.194 226 E C -0.468 175.817 176.600 -0.525 0.000 1.062 226 E CA 0.234 56.456 56.400 -0.296 0.000 0.867 226 E CB 0.375 29.841 29.700 -0.390 0.000 0.888 226 E HN 0.322 nan 8.360 nan 0.000 0.510 227 Y N -0.322 119.962 120.300 -0.027 0.000 2.549 227 Y HA 0.471 5.032 4.550 0.018 0.000 0.339 227 Y C 0.209 176.085 175.900 -0.039 0.000 1.053 227 Y CA -0.923 57.166 58.100 -0.018 0.000 1.105 227 Y CB 1.731 40.210 38.460 0.032 0.000 1.258 227 Y HN -0.227 nan 8.280 nan 0.000 0.478 228 E N 0.682 120.951 120.200 0.115 0.000 2.445 228 E HA 0.655 5.016 4.350 0.018 0.000 0.273 228 E C -1.778 174.843 176.600 0.034 0.000 0.961 228 E CA -0.881 55.539 56.400 0.032 0.000 0.807 228 E CB 2.336 32.014 29.700 -0.037 0.000 1.362 228 E HN 0.472 nan 8.360 nan 0.000 0.453 229 L N 2.113 123.346 121.223 0.016 0.000 2.346 229 L HA 0.465 4.816 4.340 0.018 0.000 0.276 229 L C -0.778 176.096 176.870 0.007 0.000 1.006 229 L CA -0.836 54.021 54.840 0.028 0.000 0.817 229 L CB 1.295 43.390 42.059 0.059 0.000 1.272 229 L HN 0.362 nan 8.230 nan 0.000 0.421 230 L N 2.386 123.623 121.223 0.024 0.000 2.290 230 L HA 0.349 4.700 4.340 0.018 0.000 0.284 230 L C -0.433 176.471 176.870 0.058 0.000 1.078 230 L CA -0.419 54.441 54.840 0.033 0.000 0.815 230 L CB 1.032 43.136 42.059 0.076 0.000 1.162 230 L HN 0.640 nan 8.230 nan 0.000 0.435 231 c N 3.813 122.432 118.600 0.033 0.000 2.364 231 c HA 0.325 4.906 4.570 0.018 0.000 0.356 231 c C -0.665 173.450 174.090 0.042 0.000 1.201 231 c CA -1.045 55.298 56.329 0.023 0.000 2.227 231 c CB 1.135 43.638 42.510 -0.012 0.000 2.387 231 c HN 0.621 nan 8.230 nan 0.000 0.546 232 P HA -0.072 nan 4.420 nan 0.000 0.230 232 P C 0.484 177.813 177.300 0.049 0.000 1.158 232 P CA 1.345 64.480 63.100 0.059 0.000 0.769 232 P CB -0.100 31.625 31.700 0.041 0.000 0.807 233 D N -0.676 119.737 120.400 0.022 0.000 2.413 233 D HA -0.055 4.596 4.640 0.018 0.000 0.237 233 D C 0.106 176.422 176.300 0.027 0.000 1.171 233 D CA -0.613 53.398 54.000 0.019 0.000 0.839 233 D CB -1.424 39.374 40.800 -0.003 0.000 0.950 233 D HN -0.121 nan 8.370 nan 0.000 0.499 234 N N 0.462 119.188 118.700 0.044 0.000 2.708 234 N HA -0.176 4.575 4.740 0.018 0.000 0.251 234 N C -0.327 175.193 175.510 0.018 0.000 1.017 234 N CA 1.534 54.609 53.050 0.042 0.000 0.742 234 N CB -1.646 36.872 38.487 0.052 0.000 0.943 234 N HN 0.717 nan 8.380 nan 0.000 0.539 235 T N -3.217 111.340 114.554 0.006 0.000 2.926 235 T HA 0.710 5.071 4.350 0.018 0.000 0.289 235 T C 0.078 174.764 174.700 -0.023 0.000 1.054 235 T CA -0.906 61.186 62.100 -0.012 0.000 1.015 235 T CB 2.576 71.435 68.868 -0.015 0.000 1.167 235 T HN 0.144 nan 8.240 nan 0.000 0.526 236 R N 0.752 121.230 120.500 -0.037 0.000 2.480 236 R HA 0.666 5.017 4.340 0.018 0.000 0.306 236 R C -1.047 175.233 176.300 -0.034 0.000 0.958 236 R CA -0.809 55.263 56.100 -0.046 0.000 0.861 236 R CB 1.512 31.763 30.300 -0.081 0.000 1.171 236 R HN 0.504 nan 8.270 nan 0.000 0.445 237 K N 2.557 122.944 120.400 -0.021 0.000 2.400 237 K HA 0.513 4.844 4.320 0.018 0.000 0.246 237 K C -2.622 173.980 176.600 0.003 0.000 0.995 237 K CA -2.185 54.093 56.287 -0.014 0.000 0.840 237 K CB 1.352 33.842 32.500 -0.017 0.000 1.293 237 K HN 0.212 nan 8.250 nan 0.000 0.445 238 P HA -0.067 nan 4.420 nan 0.000 0.271 238 P C 0.620 177.964 177.300 0.073 0.000 1.233 238 P CA -0.388 62.731 63.100 0.032 0.000 0.789 238 P CB 0.390 32.108 31.700 0.030 0.000 0.951 239 V N -1.579 118.393 119.914 0.096 0.000 3.444 239 V HA -0.108 4.023 4.120 0.018 0.000 0.271 239 V C 1.008 177.322 176.094 0.366 0.000 1.188 239 V CA 1.764 64.159 62.300 0.158 0.000 1.168 239 V CB -1.377 30.456 31.823 0.017 0.000 0.810 239 V HN 0.520 nan 8.190 nan 0.000 0.500 240 D N -0.561 120.011 120.400 0.287 0.000 2.367 240 D HA -0.000 4.651 4.640 0.018 0.000 0.207 240 D C 1.110 177.422 176.300 0.021 0.000 1.034 240 D CA 0.012 54.184 54.000 0.287 0.000 0.861 240 D CB 0.008 40.924 40.800 0.194 0.000 0.943 240 D HN 0.346 nan 8.370 nan 0.000 0.515 241 K N 0.942 121.344 120.400 0.004 0.000 2.827 241 K HA 0.177 4.508 4.320 0.018 0.000 0.222 241 K C 0.815 177.326 176.600 -0.148 0.000 1.114 241 K CA -0.585 55.621 56.287 -0.134 0.000 1.206 241 K CB -1.081 31.375 32.500 -0.073 0.000 1.035 241 K HN 0.274 nan 8.250 nan 0.000 0.464 242 F N -0.518 119.392 119.950 -0.066 0.000 2.269 242 F HA -0.019 4.519 4.527 0.018 0.000 0.301 242 F C 1.356 177.057 175.800 -0.165 0.000 1.082 242 F CA 0.789 58.734 58.000 -0.091 0.000 1.360 242 F CB -0.194 38.749 39.000 -0.095 0.000 1.041 242 F HN -0.099 nan 8.300 nan 0.000 0.512 243 K N 0.382 120.346 120.400 -0.727 0.000 2.209 243 K HA -0.120 4.211 4.320 0.018 0.000 0.204 243 K C 0.528 177.027 176.600 -0.169 0.000 1.048 243 K CA 1.470 57.458 56.287 -0.499 0.000 0.940 243 K CB -0.316 31.853 32.500 -0.552 0.000 0.729 243 K HN 0.453 nan 8.250 nan 0.000 0.451 244 D N -1.143 119.135 120.400 -0.205 0.000 2.431 244 D HA 0.030 4.681 4.640 0.018 0.000 0.213 244 D C -0.228 175.951 176.300 -0.201 0.000 1.130 244 D CA 0.098 53.989 54.000 -0.181 0.000 0.834 244 D CB 0.442 41.160 40.800 -0.138 0.000 0.985 244 D HN 0.002 nan 8.370 nan 0.000 0.504 245 c N 2.845 121.333 118.600 -0.186 0.000 3.432 245 c HA 0.219 4.800 4.570 0.018 0.000 0.242 245 c C -0.801 173.286 174.090 -0.004 0.000 1.152 245 c CA -0.436 55.826 56.329 -0.111 0.000 1.242 245 c CB -0.914 41.581 42.510 -0.026 0.000 1.802 245 c HN 0.407 nan 8.230 nan 0.000 0.577 246 H N 1.347 120.456 119.070 0.066 0.000 2.985 246 H HA 0.445 5.012 4.556 0.018 0.000 0.360 246 H C -0.145 175.252 175.328 0.116 0.000 1.221 246 H CA -0.869 55.253 56.048 0.122 0.000 1.121 246 H CB 1.016 30.894 29.762 0.192 0.000 1.854 246 H HN 0.288 nan 8.280 nan 0.000 0.551 247 L N 0.151 121.557 121.223 0.305 0.000 2.307 247 L HA 0.369 4.721 4.340 0.018 0.000 0.211 247 L C 0.828 177.824 176.870 0.209 0.000 1.099 247 L CA 0.965 55.924 54.840 0.199 0.000 0.816 247 L CB 0.073 42.221 42.059 0.149 0.000 0.952 247 L HN 0.757 nan 8.230 nan 0.000 0.455 248 A N -0.244 122.733 122.820 0.262 0.000 2.599 248 A HA 0.487 4.818 4.320 0.018 0.000 0.294 248 A C -1.194 176.350 177.584 -0.067 0.000 1.055 248 A CA -0.643 51.462 52.037 0.114 0.000 0.683 248 A CB 1.231 20.204 19.000 -0.045 0.000 1.278 248 A HN 0.023 nan 8.150 nan 0.000 0.412 249 R N 1.035 121.419 120.500 -0.192 0.000 2.255 249 R HA 0.627 4.978 4.340 0.018 0.000 0.326 249 R C -0.862 175.173 176.300 -0.442 0.000 0.986 249 R CA -0.120 55.713 56.100 -0.445 0.000 0.847 249 R CB 0.870 30.915 30.300 -0.426 0.000 1.111 249 R HN 1.161 nan 8.270 nan 0.000 0.452 250 V N 1.752 121.325 119.914 -0.568 0.000 2.914 250 V HA 0.676 4.807 4.120 0.018 0.000 0.314 250 V C -2.615 173.243 176.094 -0.393 0.000 1.084 250 V CA -2.715 59.258 62.300 -0.545 0.000 0.963 250 V CB 1.884 33.260 31.823 -0.745 0.000 1.025 250 V HN 0.681 nan 8.190 nan 0.000 0.432 251 P HA 0.181 nan 4.420 nan 0.000 0.271 251 P C 0.185 177.666 177.300 0.301 0.000 1.216 251 P CA 0.306 63.393 63.100 -0.022 0.000 0.771 251 P CB 0.896 32.506 31.700 -0.151 0.000 0.864 252 S N 2.670 118.611 115.700 0.402 0.000 2.569 252 S HA 0.023 4.504 4.470 0.018 0.000 0.274 252 S C 0.373 175.428 174.600 0.758 0.000 1.353 252 S CA -0.257 58.325 58.200 0.636 0.000 1.023 252 S CB -0.523 62.792 63.200 0.192 0.000 0.876 252 S HN 0.470 nan 8.310 nan 0.000 0.540 253 H N 0.442 119.890 119.070 0.630 0.000 2.929 253 H HA 0.413 4.981 4.556 0.019 0.000 0.358 253 H C 0.492 176.086 175.328 0.443 0.000 1.111 253 H CA 0.207 56.566 56.048 0.517 0.000 1.409 253 H CB 0.325 30.370 29.762 0.473 0.000 1.373 253 H HN 0.903 nan 8.280 nan 0.000 0.610 254 A N 1.992 125.094 122.820 0.469 0.000 2.539 254 A HA 0.434 4.765 4.320 0.018 0.000 0.296 254 A C -0.865 176.885 177.584 0.277 0.000 1.073 254 A CA -0.737 51.490 52.037 0.316 0.000 0.700 254 A CB 1.331 20.318 19.000 -0.022 0.000 1.296 254 A HN 0.441 nan 8.150 nan 0.000 0.405 255 V N 2.059 122.154 119.914 0.301 0.000 2.455 255 V HA 0.398 4.529 4.120 0.018 0.000 0.273 255 V C 0.484 176.604 176.094 0.043 0.000 1.045 255 V CA -0.049 62.387 62.300 0.227 0.000 0.976 255 V CB 0.713 32.730 31.823 0.324 0.000 0.993 255 V HN 0.966 nan 8.190 nan 0.000 0.475 256 V N 2.912 122.806 119.914 -0.034 0.000 2.713 256 V HA 1.060 5.191 4.120 0.018 0.000 0.307 256 V C 0.040 176.060 176.094 -0.125 0.000 1.052 256 V CA -0.314 61.940 62.300 -0.076 0.000 0.967 256 V CB 1.448 33.236 31.823 -0.060 0.000 1.019 256 V HN 1.112 nan 8.190 nan 0.000 0.459 257 A N 3.033 125.793 122.820 -0.100 0.000 2.588 257 A HA 0.795 5.126 4.320 0.018 0.000 0.290 257 A C -0.272 177.270 177.584 -0.070 0.000 1.136 257 A CA -1.280 50.694 52.037 -0.104 0.000 0.681 257 A CB 1.241 20.183 19.000 -0.098 0.000 1.282 257 A HN 0.937 nan 8.150 nan 0.000 0.421 258 R N 0.069 120.533 120.500 -0.060 0.000 2.827 258 R HA 0.291 4.642 4.340 0.018 0.000 0.269 258 R C 0.659 176.937 176.300 -0.037 0.000 1.048 258 R CA 0.430 56.507 56.100 -0.038 0.000 1.173 258 R CB 0.254 30.535 30.300 -0.032 0.000 1.070 258 R HN 0.633 nan 8.270 nan 0.000 0.498 259 S N 0.308 115.990 115.700 -0.030 0.000 2.501 259 S HA -0.050 4.431 4.470 0.018 0.000 0.220 259 S C 1.602 176.183 174.600 -0.031 0.000 0.997 259 S CA 0.480 58.660 58.200 -0.033 0.000 0.919 259 S CB 0.116 63.297 63.200 -0.031 0.000 0.778 259 S HN 0.530 nan 8.310 nan 0.000 0.523 260 V N 0.588 120.486 119.914 -0.026 0.000 2.597 260 V HA 0.293 4.424 4.120 0.018 0.000 0.220 260 V C 0.297 176.377 176.094 -0.023 0.000 1.134 260 V CA 0.347 62.633 62.300 -0.024 0.000 1.159 260 V CB -0.876 30.935 31.823 -0.020 0.000 0.788 260 V HN 0.143 nan 8.190 nan 0.000 0.502 261 N N 1.071 119.758 118.700 -0.021 0.000 3.301 261 N HA 0.511 5.262 4.740 0.018 0.000 0.289 261 N C 0.648 176.144 175.510 -0.025 0.000 1.343 261 N CA 0.555 53.593 53.050 -0.020 0.000 1.136 261 N CB 0.720 39.197 38.487 -0.017 0.000 1.402 261 N HN 0.653 nan 8.380 nan 0.000 0.516 262 G N 0.326 109.109 108.800 -0.028 0.000 3.088 262 G HA2 -0.034 3.937 3.960 0.018 0.000 0.217 262 G HA3 -0.034 3.937 3.960 0.018 0.000 0.217 262 G C 0.248 175.129 174.900 -0.033 0.000 1.159 262 G CA -0.308 44.769 45.100 -0.038 0.000 0.760 262 G HN 0.352 nan 8.290 nan 0.000 0.550 263 K N -0.054 120.336 120.400 -0.017 0.000 3.071 263 K HA -0.241 4.090 4.320 0.018 0.000 0.265 263 K C 0.995 177.604 176.600 0.014 0.000 1.060 263 K CA 0.775 57.060 56.287 -0.003 0.000 0.767 263 K CB -1.149 31.347 32.500 -0.008 0.000 1.241 263 K HN 0.455 nan 8.250 nan 0.000 0.486 264 E N 1.100 121.307 120.200 0.011 0.000 2.070 264 E HA -0.234 4.127 4.350 0.018 0.000 0.197 264 E C 1.274 177.928 176.600 0.090 0.000 1.004 264 E CA 2.346 58.765 56.400 0.033 0.000 0.805 264 E CB -0.041 29.658 29.700 -0.001 0.000 0.744 264 E HN 0.492 nan 8.360 nan 0.000 0.451 265 D N 0.592 121.037 120.400 0.076 0.000 2.092 265 D HA -0.194 4.457 4.640 0.018 0.000 0.193 265 D C 1.877 178.256 176.300 0.132 0.000 0.994 265 D CA 1.552 55.622 54.000 0.116 0.000 0.828 265 D CB -0.491 40.353 40.800 0.074 0.000 0.963 265 D HN 0.251 nan 8.370 nan 0.000 0.450 266 A N 0.456 123.325 122.820 0.081 0.000 1.908 266 A HA -0.182 4.149 4.320 0.018 0.000 0.218 266 A C 2.295 179.932 177.584 0.089 0.000 1.181 266 A CA 1.201 53.277 52.037 0.066 0.000 0.627 266 A CB -0.943 18.079 19.000 0.036 0.000 0.818 266 A HN 0.215 nan 8.150 nan 0.000 0.445 267 I N -1.791 118.843 120.570 0.107 0.000 2.127 267 I HA -0.293 3.888 4.170 0.018 0.000 0.241 267 I C 2.524 178.759 176.117 0.196 0.000 1.075 267 I CA 1.657 63.045 61.300 0.146 0.000 1.334 267 I CB -0.310 37.755 38.000 0.109 0.000 1.040 267 I HN 0.738 nan 8.210 nan 0.000 0.405 268 W N 1.891 123.210 121.300 0.031 0.000 2.374 268 W HA -0.254 4.416 4.660 0.017 0.000 0.288 268 W C 2.237 178.779 176.519 0.038 0.000 1.218 268 W CA 1.773 59.134 57.345 0.026 0.000 1.245 268 W CB -0.293 29.178 29.460 0.019 0.000 1.126 268 W HN 0.237 nan 8.180 nan 0.000 0.545 269 N N 1.116 119.842 118.700 0.043 0.000 2.043 269 N HA -0.258 4.493 4.740 0.018 0.000 0.193 269 N C 1.944 177.384 175.510 -0.117 0.000 1.037 269 N CA 2.395 55.409 53.050 -0.060 0.000 0.851 269 N CB -0.914 37.589 38.487 0.027 0.000 1.027 269 N HN 0.113 nan 8.380 nan 0.000 0.422 270 L N 0.618 121.820 121.223 -0.035 0.000 2.013 270 L HA -0.114 4.237 4.340 0.018 0.000 0.212 270 L C 1.988 178.843 176.870 -0.025 0.000 1.073 270 L CA 1.579 56.420 54.840 0.000 0.000 0.753 270 L CB -0.727 41.363 42.059 0.052 0.000 0.890 270 L HN 0.328 nan 8.230 nan 0.000 0.432 271 L N -0.958 120.179 121.223 -0.143 0.000 1.994 271 L HA -0.245 4.106 4.340 0.018 0.000 0.208 271 L C 2.833 179.473 176.870 -0.383 0.000 1.071 271 L CA 1.679 56.311 54.840 -0.347 0.000 0.745 271 L CB -0.615 41.057 42.059 -0.645 0.000 0.892 271 L HN 0.278 nan 8.230 nan 0.000 0.431 272 R N -0.407 119.697 120.500 -0.660 0.000 2.103 272 R HA -0.208 4.143 4.340 0.018 0.000 0.242 272 R C 2.432 178.601 176.300 -0.217 0.000 1.142 272 R CA 1.673 57.462 56.100 -0.517 0.000 0.960 272 R CB -0.100 29.823 30.300 -0.628 0.000 0.858 272 R HN 0.472 nan 8.270 nan 0.000 0.439 273 Q N -0.662 119.040 119.800 -0.164 0.000 2.046 273 Q HA -0.101 4.250 4.340 0.018 0.000 0.200 273 Q C 2.164 178.129 176.000 -0.059 0.000 0.975 273 Q CA 1.415 57.163 55.803 -0.091 0.000 0.836 273 Q CB -0.199 28.510 28.738 -0.049 0.000 0.896 273 Q HN 0.364 nan 8.270 nan 0.000 0.428 274 A N 1.273 124.133 122.820 0.067 0.000 1.917 274 A HA -0.275 4.056 4.320 0.018 0.000 0.219 274 A C 2.059 179.681 177.584 0.062 0.000 1.182 274 A CA 1.833 54.019 52.037 0.247 0.000 0.633 274 A CB -0.629 18.627 19.000 0.428 0.000 0.819 274 A HN 0.394 nan 8.150 nan 0.000 0.448 275 Q N -0.885 118.925 119.800 0.017 0.000 2.046 275 Q HA -0.203 4.148 4.340 0.018 0.000 0.200 275 Q C 2.164 178.151 176.000 -0.023 0.000 0.975 275 Q CA 1.663 57.491 55.803 0.041 0.000 0.836 275 Q CB -0.159 28.671 28.738 0.153 0.000 0.896 275 Q HN 0.820 nan 8.270 nan 0.000 0.428 276 E N 0.117 120.276 120.200 -0.068 0.000 2.077 276 E HA -0.223 4.138 4.350 0.018 0.000 0.193 276 E C 1.835 178.337 176.600 -0.163 0.000 0.989 276 E CA 1.248 57.593 56.400 -0.091 0.000 0.800 276 E CB 0.184 29.829 29.700 -0.091 0.000 0.746 276 E HN 0.100 nan 8.360 nan 0.000 0.452 277 K N -1.078 119.134 120.400 -0.313 0.000 2.098 277 K HA -0.003 4.328 4.320 0.018 0.000 0.203 277 K C 0.768 176.992 176.600 -0.627 0.000 1.051 277 K CA 0.828 56.751 56.287 -0.607 0.000 0.957 277 K CB 0.249 32.112 32.500 -1.061 0.000 0.738 277 K HN 0.064 nan 8.250 nan 0.000 0.447 278 F N -0.320 119.636 119.950 0.011 0.000 2.698 278 F HA 0.352 4.890 4.527 0.019 0.000 0.304 278 F C 1.041 176.739 175.800 -0.170 0.000 1.108 278 F CA -0.868 57.105 58.000 -0.045 0.000 1.263 278 F CB -0.076 38.957 39.000 0.055 0.000 1.013 278 F HN -0.077 nan 8.300 nan 0.000 0.532 279 G N 0.252 109.049 108.800 -0.004 0.000 2.466 279 G HA2 -0.040 3.931 3.960 0.018 0.000 0.279 279 G HA3 -0.040 3.931 3.960 0.018 0.000 0.279 279 G C 0.049 174.987 174.900 0.064 0.000 1.410 279 G CA -0.581 44.544 45.100 0.043 0.000 1.065 279 G HN 0.048 nan 8.290 nan 0.000 0.547 280 K N 0.775 121.238 120.400 0.105 0.000 2.430 280 K HA -0.023 4.308 4.320 0.018 0.000 0.280 280 K C -0.258 176.349 176.600 0.011 0.000 1.063 280 K CA 0.620 56.934 56.287 0.045 0.000 1.071 280 K CB -0.388 32.110 32.500 -0.003 0.000 0.899 280 K HN 0.499 nan 8.250 nan 0.000 0.473 281 D N 3.348 123.751 120.400 0.004 0.000 2.735 281 D HA -0.152 4.499 4.640 0.018 0.000 0.235 281 D C -0.133 176.173 176.300 0.009 0.000 1.175 281 D CA 0.887 54.889 54.000 0.004 0.000 0.683 281 D CB -0.027 40.772 40.800 -0.002 0.000 1.008 281 D HN 0.512 nan 8.370 nan 0.000 0.416 282 K N -0.445 119.966 120.400 0.019 0.000 2.350 282 K HA 0.314 4.645 4.320 0.018 0.000 0.196 282 K C 0.259 176.887 176.600 0.047 0.000 1.084 282 K CA 0.511 56.806 56.287 0.014 0.000 0.967 282 K CB 0.949 33.440 32.500 -0.016 0.000 0.950 282 K HN 0.202 nan 8.250 nan 0.000 0.512 283 S N -0.380 115.377 115.700 0.095 0.000 2.543 283 S HA 0.390 4.871 4.470 0.018 0.000 0.273 283 S C -2.672 171.994 174.600 0.110 0.000 1.152 283 S CA -1.142 57.136 58.200 0.131 0.000 0.910 283 S CB 1.476 64.822 63.200 0.243 0.000 1.105 283 S HN -0.162 nan 8.310 nan 0.000 0.465 284 P HA 0.106 nan 4.420 nan 0.000 0.227 284 P C 0.669 178.012 177.300 0.071 0.000 1.161 284 P CA 0.598 63.731 63.100 0.056 0.000 0.788 284 P CB -0.065 31.661 31.700 0.044 0.000 0.822 285 K N -1.664 118.801 120.400 0.108 0.000 2.148 285 K HA 0.028 4.359 4.320 0.018 0.000 0.204 285 K C 0.385 177.088 176.600 0.173 0.000 1.050 285 K CA 0.953 57.310 56.287 0.116 0.000 0.942 285 K CB -0.385 32.184 32.500 0.115 0.000 0.724 285 K HN 0.122 nan 8.250 nan 0.000 0.446 286 F N 0.765 120.699 119.950 -0.027 0.000 2.596 286 F HA 0.358 4.896 4.527 0.019 0.000 0.311 286 F C -1.770 173.996 175.800 -0.057 0.000 1.116 286 F CA -1.005 56.921 58.000 -0.122 0.000 0.957 286 F CB 2.054 40.829 39.000 -0.376 0.000 1.250 286 F HN -0.173 nan 8.300 nan 0.000 0.444 287 Q N 5.779 125.009 119.800 -0.951 0.000 2.347 287 Q HA 0.240 4.591 4.340 0.018 0.000 0.265 287 Q C 0.257 175.567 176.000 -1.150 0.000 1.024 287 Q CA -0.563 54.794 55.803 -0.744 0.000 0.731 287 Q CB 2.307 30.842 28.738 -0.339 0.000 1.245 287 Q HN 0.915 nan 8.270 nan 0.000 0.472 288 L N 2.936 123.533 121.223 -1.043 0.000 2.081 288 L HA -0.111 4.240 4.340 0.018 0.000 0.212 288 L C 0.642 177.014 176.870 -0.830 0.000 1.080 288 L CA 2.108 56.293 54.840 -1.092 0.000 0.754 288 L CB -0.009 41.378 42.059 -1.120 0.000 0.893 288 L HN 0.556 nan 8.230 nan 0.000 0.433 289 F N -0.642 119.121 119.950 -0.311 0.000 2.850 289 F HA 0.523 5.061 4.527 0.019 0.000 0.306 289 F C 0.896 176.609 175.800 -0.145 0.000 1.162 289 F CA -0.293 57.601 58.000 -0.178 0.000 1.327 289 F CB -0.160 38.727 39.000 -0.188 0.000 0.953 289 F HN -0.015 nan 8.300 nan 0.000 0.507 290 G N -0.616 108.139 108.800 -0.075 0.000 2.524 290 G HA2 0.586 4.557 3.960 0.018 0.000 0.310 290 G HA3 0.586 4.557 3.960 0.018 0.000 0.310 290 G C -1.074 173.794 174.900 -0.054 0.000 1.279 290 G CA -0.611 44.455 45.100 -0.057 0.000 0.974 290 G HN 0.021 nan 8.290 nan 0.000 0.484 291 S N 1.669 117.363 115.700 -0.011 0.000 2.536 291 S HA 0.711 5.192 4.470 0.018 0.000 0.298 291 S C -2.312 172.295 174.600 0.012 0.000 1.083 291 S CA -0.867 57.338 58.200 0.007 0.000 0.995 291 S CB 2.190 65.409 63.200 0.031 0.000 1.058 291 S HN 0.656 nan 8.310 nan 0.000 0.488 292 P HA 0.083 nan 4.420 nan 0.000 0.269 292 P C 1.027 178.342 177.300 0.026 0.000 1.217 292 P CA -0.101 63.014 63.100 0.025 0.000 0.783 292 P CB 0.336 32.056 31.700 0.034 0.000 0.898 293 S N 1.970 117.684 115.700 0.023 0.000 2.429 293 S HA -0.254 4.227 4.470 0.018 0.000 0.263 293 S C 1.988 176.605 174.600 0.028 0.000 1.084 293 S CA 1.847 60.061 58.200 0.023 0.000 1.284 293 S CB -2.064 61.149 63.200 0.021 0.000 1.192 293 S HN 0.693 nan 8.310 nan 0.000 0.436 294 G N 1.908 110.725 108.800 0.029 0.000 2.882 294 G HA2 0.250 4.221 3.960 0.018 0.000 0.206 294 G HA3 0.250 4.221 3.960 0.018 0.000 0.206 294 G C 0.373 175.298 174.900 0.042 0.000 1.155 294 G CA 0.010 45.130 45.100 0.033 0.000 0.800 294 G HN 0.483 nan 8.290 nan 0.000 0.524 295 Q N -0.033 119.793 119.800 0.042 0.000 2.297 295 Q HA 0.605 4.956 4.340 0.018 0.000 0.268 295 Q C -0.423 175.609 176.000 0.054 0.000 1.045 295 Q CA -0.370 55.464 55.803 0.051 0.000 0.861 295 Q CB 2.117 30.884 28.738 0.048 0.000 1.344 295 Q HN -0.009 nan 8.270 nan 0.000 0.452 296 K N 1.473 121.914 120.400 0.067 0.000 2.535 296 K HA 0.238 4.570 4.320 0.018 0.000 0.251 296 K C -1.305 175.346 176.600 0.085 0.000 0.942 296 K CA -0.535 55.793 56.287 0.068 0.000 0.798 296 K CB 1.626 34.167 32.500 0.069 0.000 1.267 296 K HN 0.502 nan 8.250 nan 0.000 0.434 297 D N 1.408 121.862 120.400 0.090 0.000 2.718 297 D HA -0.178 4.473 4.640 0.018 0.000 0.242 297 D C -0.453 175.916 176.300 0.115 0.000 1.123 297 D CA 0.756 54.831 54.000 0.125 0.000 0.690 297 D CB -1.140 39.751 40.800 0.152 0.000 1.059 297 D HN 0.378 nan 8.370 nan 0.000 0.429 298 L N 0.545 121.817 121.223 0.081 0.000 2.315 298 L HA 0.307 4.658 4.340 0.018 0.000 0.283 298 L C 1.972 178.834 176.870 -0.014 0.000 1.089 298 L CA -0.445 54.421 54.840 0.043 0.000 0.833 298 L CB 0.535 42.613 42.059 0.032 0.000 1.170 298 L HN 0.275 nan 8.230 nan 0.000 0.442 299 L N 1.699 122.875 121.223 -0.080 0.000 2.824 299 L HA -0.339 4.012 4.340 0.018 0.000 0.395 299 L C -0.316 176.212 176.870 -0.568 0.000 1.064 299 L CA 1.442 56.069 54.840 -0.354 0.000 3.242 299 L CB -1.070 40.678 42.059 -0.519 0.000 0.821 299 L HN 0.399 nan 8.230 nan 0.000 0.792 300 F N -0.638 119.406 119.950 0.156 0.000 2.620 300 F HA 0.505 5.044 4.527 0.020 0.000 0.320 300 F C 0.495 176.448 175.800 0.255 0.000 1.069 300 F CA -0.988 57.183 58.000 0.285 0.000 0.953 300 F CB 0.901 40.122 39.000 0.368 0.000 1.322 300 F HN -0.237 nan 8.300 nan 0.000 0.479 301 K N 1.926 122.607 120.400 0.469 0.000 2.451 301 K HA 0.019 4.350 4.320 0.018 0.000 0.280 301 K C -0.697 176.020 176.600 0.195 0.000 1.020 301 K CA 0.040 56.482 56.287 0.257 0.000 1.008 301 K CB 0.245 32.839 32.500 0.156 0.000 0.917 301 K HN 0.557 nan 8.250 nan 0.000 0.478 302 D N 1.514 121.977 120.400 0.106 0.000 2.414 302 D HA -0.025 4.626 4.640 0.018 0.000 0.242 302 D C 0.526 176.803 176.300 -0.038 0.000 1.129 302 D CA 0.412 54.449 54.000 0.061 0.000 0.885 302 D CB 0.740 41.557 40.800 0.028 0.000 1.198 302 D HN 0.566 nan 8.370 nan 0.000 0.437 303 S N -1.550 114.115 115.700 -0.058 0.000 2.857 303 S HA -0.190 4.291 4.470 0.018 0.000 0.268 303 S C 0.570 175.029 174.600 -0.235 0.000 1.297 303 S CA 0.715 58.833 58.200 -0.137 0.000 1.280 303 S CB -1.672 61.446 63.200 -0.137 0.000 1.562 303 S HN 0.875 nan 8.310 nan 0.000 0.661 304 A N 1.174 123.794 122.820 -0.334 0.000 2.448 304 A HA 0.619 4.950 4.320 0.018 0.000 0.239 304 A C 1.319 178.272 177.584 -1.052 0.000 1.080 304 A CA 0.445 52.108 52.037 -0.624 0.000 0.779 304 A CB -0.035 18.489 19.000 -0.794 0.000 1.026 304 A HN 1.113 nan 8.150 nan 0.000 0.499 305 I N -2.011 118.033 120.570 -0.876 0.000 4.227 305 I HA 0.587 4.768 4.170 0.018 0.000 0.334 305 I C 0.610 176.380 176.117 -0.579 0.000 1.341 305 I CA 0.331 61.256 61.300 -0.625 0.000 1.123 305 I CB 0.136 37.949 38.000 -0.312 0.000 1.097 305 I HN 0.834 nan 8.210 nan 0.000 0.399 306 G N 1.098 109.405 108.800 -0.823 0.000 2.323 306 G HA2 0.373 4.344 3.960 0.018 0.000 0.291 306 G HA3 0.373 4.344 3.960 0.018 0.000 0.291 306 G C -1.856 172.622 174.900 -0.703 0.000 1.278 306 G CA -0.745 44.042 45.100 -0.522 0.000 0.860 306 G HN 0.063 nan 8.290 nan 0.000 0.504 307 F N 0.033 120.053 119.950 0.116 0.000 2.593 307 F HA 0.825 5.363 4.527 0.018 0.000 0.320 307 F C 0.504 176.553 175.800 0.415 0.000 1.060 307 F CA -0.887 57.263 58.000 0.249 0.000 0.940 307 F CB 2.585 41.791 39.000 0.344 0.000 1.268 307 F HN 0.516 nan 8.300 nan 0.000 0.475 308 S N 1.235 117.283 115.700 0.580 0.000 2.502 308 S HA 0.525 5.006 4.470 0.018 0.000 0.304 308 S C -0.754 173.936 174.600 0.149 0.000 1.097 308 S CA -0.776 57.675 58.200 0.418 0.000 1.045 308 S CB 0.981 64.396 63.200 0.357 0.000 1.019 308 S HN 0.727 nan 8.310 nan 0.000 0.481 309 R N 3.700 123.917 120.500 -0.470 0.000 2.401 309 R HA 0.356 4.707 4.340 0.018 0.000 0.299 309 R C -0.896 175.069 176.300 -0.558 0.000 1.064 309 R CA -0.204 55.390 56.100 -0.843 0.000 1.000 309 R CB 0.222 29.616 30.300 -1.510 0.000 0.973 309 R HN 0.537 nan 8.270 nan 0.000 0.438 310 V N 8.595 128.207 119.914 -0.505 0.000 2.455 310 V HA 0.203 4.334 4.120 0.018 0.000 0.273 310 V C -1.813 173.970 176.094 -0.517 0.000 1.045 310 V CA -1.660 60.214 62.300 -0.709 0.000 0.976 310 V CB 0.897 32.484 31.823 -0.392 0.000 0.993 310 V HN 0.863 nan 8.190 nan 0.000 0.475 311 P HA 0.108 nan 4.420 nan 0.000 0.266 311 P C -2.017 175.161 177.300 -0.203 0.000 1.193 311 P CA -0.998 61.927 63.100 -0.291 0.000 0.770 311 P CB 0.026 31.603 31.700 -0.205 0.000 0.836 312 P HA -0.127 nan 4.420 nan 0.000 0.218 312 P C 1.372 178.621 177.300 -0.085 0.000 1.149 312 P CA 1.225 64.259 63.100 -0.110 0.000 0.817 312 P CB 0.072 31.720 31.700 -0.088 0.000 0.785 313 R N -0.056 120.399 120.500 -0.075 0.000 2.235 313 R HA 0.061 4.412 4.340 0.018 0.000 0.213 313 R C 0.590 176.860 176.300 -0.050 0.000 1.059 313 R CA 0.437 56.502 56.100 -0.057 0.000 0.997 313 R CB -1.370 28.901 30.300 -0.048 0.000 0.884 313 R HN 0.135 nan 8.270 nan 0.000 0.462 314 I N 2.362 122.901 120.570 -0.050 0.000 2.416 314 I HA 0.059 4.240 4.170 0.018 0.000 0.288 314 I C 0.021 176.126 176.117 -0.021 0.000 1.051 314 I CA -0.423 60.868 61.300 -0.016 0.000 1.375 314 I CB 0.836 38.850 38.000 0.025 0.000 1.407 314 I HN 0.263 nan 8.210 nan 0.000 0.516 315 D N 3.556 123.942 120.400 -0.025 0.000 2.588 315 D HA 0.181 4.832 4.640 0.018 0.000 0.268 315 D C 1.099 177.386 176.300 -0.021 0.000 1.176 315 D CA -0.447 53.530 54.000 -0.039 0.000 1.080 315 D CB 0.417 41.179 40.800 -0.064 0.000 1.186 315 D HN 0.408 nan 8.370 nan 0.000 0.619 316 S N -1.167 114.508 115.700 -0.042 0.000 2.368 316 S HA -0.077 4.404 4.470 0.018 0.000 0.225 316 S C 2.106 176.650 174.600 -0.093 0.000 1.030 316 S CA 1.326 59.526 58.200 0.001 0.000 0.999 316 S CB -1.434 61.776 63.200 0.016 0.000 0.844 316 S HN 0.686 nan 8.310 nan 0.000 0.459 317 G N 1.971 110.520 108.800 -0.417 0.000 2.421 317 G HA2 -0.045 3.926 3.960 0.018 0.000 0.216 317 G HA3 -0.045 3.926 3.960 0.018 0.000 0.216 317 G C 1.520 176.091 174.900 -0.549 0.000 1.171 317 G CA 0.953 45.374 45.100 -1.132 0.000 0.775 317 G HN 0.491 nan 8.290 nan 0.000 0.543 318 L N -1.025 120.050 121.223 -0.246 0.000 2.046 318 L HA -0.100 4.251 4.340 0.018 0.000 0.208 318 L C 2.593 179.477 176.870 0.023 0.000 1.077 318 L CA 1.426 56.214 54.840 -0.088 0.000 0.747 318 L CB -0.542 41.497 42.059 -0.033 0.000 0.896 318 L HN 0.303 nan 8.230 nan 0.000 0.432 319 Y N 0.874 121.165 120.300 -0.016 0.000 2.097 319 Y HA -0.287 4.274 4.550 0.019 0.000 0.282 319 Y C 2.441 178.415 175.900 0.123 0.000 1.152 319 Y CA 1.705 59.864 58.100 0.098 0.000 1.136 319 Y CB -0.245 38.285 38.460 0.117 0.000 0.975 319 Y HN 0.003 nan 8.280 nan 0.000 0.498 320 L N -0.201 121.151 121.223 0.216 0.000 2.191 320 L HA 0.005 4.356 4.340 0.018 0.000 0.212 320 L C 1.176 178.149 176.870 0.171 0.000 1.103 320 L CA 0.775 55.768 54.840 0.255 0.000 0.769 320 L CB -1.322 40.920 42.059 0.305 0.000 0.908 320 L HN 0.532 nan 8.230 nan 0.000 0.438 321 G N -0.657 108.183 108.800 0.066 0.000 2.721 321 G HA2 -0.245 3.726 3.960 0.018 0.000 0.686 321 G HA3 -0.245 3.726 3.960 0.018 0.000 0.686 321 G C 0.693 175.674 174.900 0.135 0.000 1.236 321 G CA -0.055 45.079 45.100 0.058 0.000 0.786 321 G HN 0.254 nan 8.290 nan 0.000 0.616 322 S N 0.757 116.516 115.700 0.098 0.000 2.370 322 S HA -0.018 4.463 4.470 0.018 0.000 0.226 322 S C 2.665 177.352 174.600 0.145 0.000 1.033 322 S CA 2.202 60.483 58.200 0.136 0.000 1.011 322 S CB -0.739 62.507 63.200 0.076 0.000 0.852 322 S HN 2.274 nan 8.310 nan 0.000 0.457 323 G N 0.466 109.332 108.800 0.111 0.000 2.480 323 G HA2 -0.224 3.747 3.960 0.018 0.000 0.216 323 G HA3 -0.224 3.747 3.960 0.018 0.000 0.216 323 G C 1.396 176.399 174.900 0.171 0.000 1.200 323 G CA 1.078 46.242 45.100 0.107 0.000 0.782 323 G HN 0.547 nan 8.290 nan 0.000 0.554 324 Y N 0.516 120.845 120.300 0.048 0.000 2.220 324 Y HA 0.040 4.601 4.550 0.018 0.000 0.291 324 Y C 2.334 178.289 175.900 0.091 0.000 1.129 324 Y CA 0.522 58.651 58.100 0.048 0.000 1.161 324 Y CB -0.769 37.720 38.460 0.047 0.000 0.997 324 Y HN 0.170 nan 8.280 nan 0.000 0.522 325 F N 1.080 120.992 119.950 -0.064 0.000 2.069 325 F HA -0.244 4.294 4.527 0.019 0.000 0.298 325 F C 2.636 178.357 175.800 -0.131 0.000 1.113 325 F CA 2.691 60.613 58.000 -0.129 0.000 1.214 325 F CB -1.014 37.996 39.000 0.016 0.000 0.978 325 F HN 0.166 nan 8.300 nan 0.000 0.474 326 T N -1.722 112.791 114.554 -0.067 0.000 2.985 326 T HA 0.083 4.444 4.350 0.018 0.000 0.266 326 T C 2.107 176.709 174.700 -0.164 0.000 1.076 326 T CA 0.726 62.724 62.100 -0.170 0.000 1.135 326 T CB -0.918 67.924 68.868 -0.042 0.000 0.890 326 T HN 0.256 nan 8.240 nan 0.000 0.480 327 A N 1.690 124.450 122.820 -0.101 0.000 1.902 327 A HA 0.129 4.460 4.320 0.018 0.000 0.217 327 A C 2.306 179.785 177.584 -0.176 0.000 1.181 327 A CA 1.230 53.220 52.037 -0.079 0.000 0.623 327 A CB -0.801 18.221 19.000 0.038 0.000 0.818 327 A HN 0.570 nan 8.150 nan 0.000 0.443 328 I N -0.538 119.826 120.570 -0.343 0.000 2.179 328 I HA -0.326 3.855 4.170 0.018 0.000 0.242 328 I C 2.809 178.644 176.117 -0.470 0.000 1.088 328 I CA 1.637 62.633 61.300 -0.507 0.000 1.357 328 I CB -0.468 36.965 38.000 -0.945 0.000 1.051 328 I HN 0.415 nan 8.210 nan 0.000 0.409 329 Q N 0.535 120.038 119.800 -0.495 0.000 2.096 329 Q HA -0.225 4.126 4.340 0.018 0.000 0.204 329 Q C 1.943 177.852 176.000 -0.153 0.000 0.982 329 Q CA 1.743 57.367 55.803 -0.300 0.000 0.850 329 Q CB -0.380 28.176 28.738 -0.304 0.000 0.901 329 Q HN 0.583 nan 8.270 nan 0.000 0.422 330 N N 0.409 119.027 118.700 -0.137 0.000 2.272 330 N HA -0.144 4.607 4.740 0.018 0.000 0.185 330 N C 1.564 177.079 175.510 0.009 0.000 1.014 330 N CA 0.510 53.528 53.050 -0.053 0.000 0.870 330 N CB -0.083 38.373 38.487 -0.052 0.000 0.975 330 N HN 0.224 nan 8.380 nan 0.000 0.433 331 L N 0.353 121.553 121.223 -0.039 0.000 2.450 331 L HA -0.092 4.259 4.340 0.018 0.000 0.224 331 L C 0.909 177.827 176.870 0.081 0.000 1.149 331 L CA 0.973 55.799 54.840 -0.023 0.000 0.816 331 L CB 0.011 42.013 42.059 -0.095 0.000 0.932 331 L HN 0.082 nan 8.230 nan 0.000 0.449 332 R N -0.520 120.046 120.500 0.111 0.000 2.586 332 R HA 0.210 4.561 4.340 0.018 0.000 0.336 332 R C -0.560 175.857 176.300 0.195 0.000 1.060 332 R CA 0.022 56.235 56.100 0.189 0.000 1.079 332 R CB 0.303 30.660 30.300 0.096 0.000 1.317 332 R HN 0.093 nan 8.270 nan 0.000 0.568 333 K N 0.132 120.652 120.400 0.199 0.000 2.385 333 K HA 0.402 4.733 4.320 0.018 0.000 0.248 333 K C -0.318 176.263 176.600 -0.032 0.000 0.955 333 K CA -0.817 55.507 56.287 0.061 0.000 0.816 333 K CB 2.149 34.660 32.500 0.017 0.000 1.250 333 K HN 0.049 nan 8.250 nan 0.000 0.434 334 S N 0.152 115.750 115.700 -0.170 0.000 2.614 334 S HA 0.079 4.560 4.470 0.018 0.000 0.265 334 S C 0.796 175.299 174.600 -0.162 0.000 1.303 334 S CA -0.496 57.525 58.200 -0.298 0.000 1.000 334 S CB 0.867 63.898 63.200 -0.281 0.000 0.935 334 S HN 0.625 nan 8.310 nan 0.000 0.551 335 E N 0.557 120.657 120.200 -0.166 0.000 2.409 335 E HA -0.122 4.239 4.350 0.018 0.000 0.198 335 E C 1.200 177.750 176.600 -0.083 0.000 1.024 335 E CA 0.933 57.277 56.400 -0.093 0.000 0.861 335 E CB -0.045 29.605 29.700 -0.084 0.000 0.788 335 E HN 0.716 nan 8.360 nan 0.000 0.521 336 E N 0.699 120.840 120.200 -0.098 0.000 2.140 336 E HA -0.106 4.255 4.350 0.018 0.000 0.191 336 E C 1.816 178.377 176.600 -0.065 0.000 0.973 336 E CA 0.534 56.888 56.400 -0.077 0.000 0.829 336 E CB 0.081 29.732 29.700 -0.081 0.000 0.781 336 E HN 0.230 nan 8.360 nan 0.000 0.466 337 E N 0.523 120.681 120.200 -0.071 0.000 2.106 337 E HA -0.135 4.226 4.350 0.018 0.000 0.192 337 E C 1.715 178.289 176.600 -0.043 0.000 0.984 337 E CA 0.960 57.328 56.400 -0.054 0.000 0.806 337 E CB 0.196 29.862 29.700 -0.056 0.000 0.750 337 E HN 0.060 nan 8.360 nan 0.000 0.458 338 V N 1.170 121.058 119.914 -0.044 0.000 2.358 338 V HA -0.192 3.939 4.120 0.018 0.000 0.246 338 V C 2.446 178.520 176.094 -0.033 0.000 1.047 338 V CA 1.703 63.983 62.300 -0.034 0.000 1.035 338 V CB -0.559 31.247 31.823 -0.029 0.000 0.658 338 V HN 0.456 nan 8.190 nan 0.000 0.452 339 A N -0.183 122.614 122.820 -0.038 0.000 2.015 339 A HA -0.007 4.324 4.320 0.018 0.000 0.219 339 A C 2.361 179.927 177.584 -0.031 0.000 1.163 339 A CA 1.775 53.792 52.037 -0.034 0.000 0.646 339 A CB -0.530 18.446 19.000 -0.039 0.000 0.806 339 A HN 0.541 nan 8.150 nan 0.000 0.448 340 A N 0.034 122.834 122.820 -0.033 0.000 1.897 340 A HA -0.065 4.266 4.320 0.018 0.000 0.215 340 A C 2.158 179.728 177.584 -0.024 0.000 1.181 340 A CA 1.826 53.845 52.037 -0.030 0.000 0.620 340 A CB -0.373 18.607 19.000 -0.033 0.000 0.821 340 A HN 0.453 nan 8.150 nan 0.000 0.443 341 R N -0.081 120.405 120.500 -0.023 0.000 2.115 341 R HA 0.010 4.361 4.340 0.018 0.000 0.230 341 R C 2.027 178.321 176.300 -0.011 0.000 1.111 341 R CA 1.595 57.685 56.100 -0.017 0.000 0.976 341 R CB -0.538 29.751 30.300 -0.019 0.000 0.870 341 R HN 0.448 nan 8.270 nan 0.000 0.445 342 R N -0.706 119.786 120.500 -0.014 0.000 2.148 342 R HA 0.066 4.417 4.340 0.018 0.000 0.227 342 R C 1.780 178.078 176.300 -0.004 0.000 1.103 342 R CA 1.359 57.453 56.100 -0.008 0.000 0.983 342 R CB -0.109 30.183 30.300 -0.013 0.000 0.874 342 R HN 0.344 nan 8.270 nan 0.000 0.451 343 A N 0.777 123.592 122.820 -0.009 0.000 2.081 343 A HA 0.010 4.341 4.320 0.018 0.000 0.214 343 A C 0.817 178.399 177.584 -0.002 0.000 1.158 343 A CA 0.018 52.050 52.037 -0.008 0.000 0.724 343 A CB -0.122 18.868 19.000 -0.017 0.000 0.826 343 A HN 0.272 nan 8.150 nan 0.000 0.463 344 R N -0.301 120.196 120.500 -0.005 0.000 2.500 344 R HA 0.536 4.887 4.340 0.018 0.000 0.277 344 R C -1.525 174.783 176.300 0.013 0.000 1.026 344 R CA -0.351 55.746 56.100 -0.005 0.000 1.058 344 R CB 1.011 31.300 30.300 -0.018 0.000 1.078 344 R HN -0.074 nan 8.270 nan 0.000 0.509 345 V N 3.977 123.903 119.914 0.020 0.000 2.350 345 V HA 0.193 4.324 4.120 0.018 0.000 0.276 345 V C -0.267 175.869 176.094 0.070 0.000 1.028 345 V CA -0.758 61.584 62.300 0.070 0.000 0.860 345 V CB 1.543 33.453 31.823 0.145 0.000 0.990 345 V HN 0.583 nan 8.190 nan 0.000 0.453 346 V N 5.204 125.160 119.914 0.071 0.000 2.353 346 V HA 0.225 4.356 4.120 0.018 0.000 0.264 346 V C 0.119 176.292 176.094 0.131 0.000 1.049 346 V CA -0.556 61.789 62.300 0.076 0.000 0.896 346 V CB 0.679 32.523 31.823 0.035 0.000 1.025 346 V HN 0.830 nan 8.190 nan 0.000 0.475 347 W N 4.529 125.814 121.300 -0.024 0.000 2.184 347 W HA 0.341 5.013 4.660 0.020 0.000 0.338 347 W C -0.119 176.415 176.519 0.025 0.000 1.257 347 W CA -0.431 56.932 57.345 0.031 0.000 1.243 347 W CB 1.624 31.139 29.460 0.092 0.000 1.122 347 W HN 0.543 nan 8.180 nan 0.000 0.585 348 c N 5.080 123.616 118.600 -0.107 0.000 2.281 348 c HA 0.690 5.271 4.570 0.018 0.000 0.323 348 c C 0.374 174.512 174.090 0.080 0.000 1.270 348 c CA -0.405 55.908 56.329 -0.026 0.000 1.559 348 c CB -0.890 41.546 42.510 -0.124 0.000 2.239 348 c HN 0.560 nan 8.230 nan 0.000 0.488 349 A N 4.912 127.820 122.820 0.148 0.000 2.327 349 A HA 0.665 4.996 4.320 0.018 0.000 0.283 349 A C -0.485 177.134 177.584 0.058 0.000 1.127 349 A CA -0.262 51.868 52.037 0.156 0.000 0.810 349 A CB 0.625 19.720 19.000 0.158 0.000 1.066 349 A HN 0.830 nan 8.150 nan 0.000 0.492 350 V N 2.514 122.455 119.914 0.045 0.000 2.293 350 V HA 0.638 4.769 4.120 0.018 0.000 0.275 350 V C 0.686 176.764 176.094 -0.027 0.000 1.021 350 V CA 0.720 63.009 62.300 -0.019 0.000 0.815 350 V CB -0.209 31.585 31.823 -0.049 0.000 1.025 350 V HN 1.971 nan 8.190 nan 0.000 0.448 351 G N 4.649 113.430 108.800 -0.033 0.000 2.699 351 G HA2 -0.117 3.854 3.960 0.018 0.000 0.686 351 G HA3 -0.117 3.854 3.960 0.018 0.000 0.686 351 G C 0.048 174.951 174.900 0.006 0.000 1.301 351 G CA -0.082 44.999 45.100 -0.032 0.000 0.816 351 G HN 0.689 nan 8.290 nan 0.000 0.595 352 E N 0.160 120.363 120.200 0.006 0.000 2.268 352 E HA -0.021 4.340 4.350 0.018 0.000 0.195 352 E C 2.516 179.139 176.600 0.039 0.000 0.995 352 E CA 1.693 58.106 56.400 0.021 0.000 0.836 352 E CB 0.018 29.726 29.700 0.012 0.000 0.763 352 E HN 0.635 nan 8.360 nan 0.000 0.491 353 Q N 0.488 120.316 119.800 0.045 0.000 2.083 353 Q HA -0.116 4.235 4.340 0.018 0.000 0.198 353 Q C 1.939 177.992 176.000 0.088 0.000 0.969 353 Q CA 1.077 56.920 55.803 0.067 0.000 0.838 353 Q CB 0.091 28.875 28.738 0.075 0.000 0.900 353 Q HN 0.340 nan 8.270 nan 0.000 0.436 354 E N 0.298 120.555 120.200 0.095 0.000 2.072 354 E HA -0.198 4.163 4.350 0.018 0.000 0.191 354 E C 2.015 178.694 176.600 0.132 0.000 0.985 354 E CA 0.766 57.242 56.400 0.127 0.000 0.801 354 E CB -0.089 29.691 29.700 0.134 0.000 0.750 354 E HN 0.177 nan 8.360 nan 0.000 0.452 355 L N 1.804 123.089 121.223 0.103 0.000 2.012 355 L HA -0.222 4.129 4.340 0.018 0.000 0.210 355 L C 2.478 179.396 176.870 0.081 0.000 1.073 355 L CA 1.860 56.757 54.840 0.094 0.000 0.748 355 L CB -0.529 41.566 42.059 0.061 0.000 0.891 355 L HN -0.031 nan 8.230 nan 0.000 0.431 356 R N -0.049 120.491 120.500 0.067 0.000 2.094 356 R HA -0.288 4.063 4.340 0.018 0.000 0.239 356 R C 2.478 178.817 176.300 0.066 0.000 1.137 356 R CA 2.398 58.531 56.100 0.054 0.000 0.943 356 R CB -0.457 29.874 30.300 0.052 0.000 0.850 356 R HN 0.481 nan 8.270 nan 0.000 0.433 357 K N -0.107 120.355 120.400 0.103 0.000 2.147 357 K HA -0.178 4.153 4.320 0.018 0.000 0.205 357 K C 2.186 178.877 176.600 0.152 0.000 1.049 357 K CA 1.616 57.988 56.287 0.143 0.000 0.936 357 K CB -0.426 32.185 32.500 0.185 0.000 0.722 357 K HN 0.359 nan 8.250 nan 0.000 0.446 358 c N 1.384 120.085 118.600 0.167 0.000 2.432 358 c HA -0.060 4.521 4.570 0.018 0.000 0.277 358 c C 2.409 176.561 174.090 0.103 0.000 1.249 358 c CA 1.146 57.602 56.329 0.211 0.000 1.725 358 c CB -1.260 41.374 42.510 0.207 0.000 2.028 358 c HN 0.593 nan 8.230 nan 0.000 0.477 359 N N 0.362 119.085 118.700 0.040 0.000 2.069 359 N HA -0.186 4.565 4.740 0.018 0.000 0.191 359 N C 1.768 177.226 175.510 -0.087 0.000 1.031 359 N CA 1.651 54.689 53.050 -0.021 0.000 0.852 359 N CB -0.819 37.660 38.487 -0.013 0.000 1.018 359 N HN 0.760 nan 8.380 nan 0.000 0.423 360 Q N -0.470 119.257 119.800 -0.121 0.000 2.077 360 Q HA -0.205 4.146 4.340 0.018 0.000 0.206 360 Q C 1.942 177.648 176.000 -0.490 0.000 0.989 360 Q CA 1.733 57.367 55.803 -0.282 0.000 0.853 360 Q CB -0.302 28.260 28.738 -0.294 0.000 0.907 360 Q HN 0.443 nan 8.270 nan 0.000 0.418 361 W N 0.647 121.489 121.300 -0.764 0.000 2.335 361 W HA -0.165 4.506 4.660 0.018 0.000 0.311 361 W C 2.566 178.886 176.519 -0.331 0.000 1.213 361 W CA 1.678 58.584 57.345 -0.731 0.000 1.274 361 W CB -1.080 28.190 29.460 -0.316 0.000 1.148 361 W HN 0.209 nan 8.180 nan 0.000 0.498 362 S N -0.124 115.466 115.700 -0.183 0.000 2.359 362 S HA -0.155 4.326 4.470 0.018 0.000 0.224 362 S C 2.127 176.633 174.600 -0.157 0.000 1.035 362 S CA 2.167 60.227 58.200 -0.234 0.000 1.018 362 S CB -1.183 61.929 63.200 -0.148 0.000 0.876 362 S HN 0.355 nan 8.310 nan 0.000 0.448 363 G N 0.072 108.791 108.800 -0.135 0.000 2.501 363 G HA2 -0.084 3.887 3.960 0.018 0.000 0.220 363 G HA3 -0.084 3.887 3.960 0.018 0.000 0.220 363 G C 1.121 175.974 174.900 -0.078 0.000 1.114 363 G CA 0.709 45.748 45.100 -0.101 0.000 0.757 363 G HN 0.520 nan 8.290 nan 0.000 0.559 364 L N 0.725 121.896 121.223 -0.086 0.000 2.808 364 L HA 0.213 4.564 4.340 0.018 0.000 0.246 364 L C 2.257 179.255 176.870 0.213 0.000 1.153 364 L CA 0.587 55.438 54.840 0.018 0.000 0.956 364 L CB 0.741 42.702 42.059 -0.165 0.000 1.270 364 L HN 0.225 nan 8.230 nan 0.000 0.528 365 S N -1.763 113.999 115.700 0.103 0.000 2.548 365 S HA 0.065 4.546 4.470 0.018 0.000 0.215 365 S C 0.642 175.305 174.600 0.105 0.000 0.976 365 S CA -0.113 58.164 58.200 0.127 0.000 0.908 365 S CB -0.133 62.986 63.200 -0.135 0.000 0.781 365 S HN 0.420 nan 8.310 nan 0.000 0.519 366 E N 0.408 120.650 120.200 0.070 0.000 2.416 366 E HA -0.169 4.192 4.350 0.018 0.000 0.249 366 E C 0.762 177.369 176.600 0.011 0.000 1.124 366 E CA 0.215 56.645 56.400 0.049 0.000 0.732 366 E CB -2.042 27.707 29.700 0.082 0.000 1.286 366 E HN 0.944 nan 8.360 nan 0.000 0.394 367 G N -0.618 108.173 108.800 -0.015 0.000 2.179 367 G HA2 -0.428 3.543 3.960 0.018 0.000 0.260 367 G HA3 -0.428 3.543 3.960 0.018 0.000 0.260 367 G C 0.924 175.799 174.900 -0.041 0.000 0.977 367 G CA 1.092 46.173 45.100 -0.031 0.000 0.641 367 G HN 0.915 nan 8.290 nan 0.000 0.533 368 S N -1.410 114.266 115.700 -0.039 0.000 2.458 368 S HA 0.501 4.982 4.470 0.018 0.000 0.223 368 S C 0.740 175.285 174.600 -0.091 0.000 1.019 368 S CA 0.932 59.109 58.200 -0.039 0.000 0.937 368 S CB 0.606 63.810 63.200 0.007 0.000 0.788 368 S HN 0.954 nan 8.310 nan 0.000 0.511 369 V N 1.667 121.464 119.914 -0.195 0.000 2.487 369 V HA 0.640 4.771 4.120 0.018 0.000 0.298 369 V C -0.004 175.935 176.094 -0.259 0.000 1.028 369 V CA -0.455 61.647 62.300 -0.330 0.000 0.860 369 V CB 1.365 32.674 31.823 -0.856 0.000 0.991 369 V HN 0.462 nan 8.190 nan 0.000 0.427 370 T N 3.646 118.114 114.554 -0.144 0.000 2.905 370 T HA 0.628 4.989 4.350 0.018 0.000 0.283 370 T C -0.804 173.885 174.700 -0.018 0.000 1.031 370 T CA -0.306 61.744 62.100 -0.083 0.000 1.002 370 T CB 1.606 70.449 68.868 -0.041 0.000 1.200 370 T HN 0.734 nan 8.240 nan 0.000 0.560 371 c N 1.330 119.940 118.600 0.016 0.000 2.626 371 c HA 0.857 5.438 4.570 0.018 0.000 0.310 371 c C 0.326 174.454 174.090 0.063 0.000 1.191 371 c CA -0.684 55.693 56.329 0.078 0.000 1.517 371 c CB 1.166 43.723 42.510 0.078 0.000 2.102 371 c HN 0.920 nan 8.230 nan 0.000 0.479 372 S N 0.884 116.632 115.700 0.080 0.000 2.798 372 S HA 0.966 5.447 4.470 0.018 0.000 0.312 372 S C -0.558 174.073 174.600 0.053 0.000 1.122 372 S CA -0.012 58.217 58.200 0.048 0.000 0.949 372 S CB 1.584 64.801 63.200 0.027 0.000 1.235 372 S HN 1.463 nan 8.310 nan 0.000 0.552 373 S N -0.358 115.357 115.700 0.025 0.000 2.597 373 S HA 0.773 5.254 4.470 0.018 0.000 0.274 373 S C -0.974 173.620 174.600 -0.009 0.000 1.132 373 S CA -0.117 58.095 58.200 0.019 0.000 0.835 373 S CB 0.600 63.820 63.200 0.032 0.000 1.092 373 S HN 1.596 nan 8.310 nan 0.000 0.457 374 A N 0.943 123.749 122.820 -0.024 0.000 2.529 374 A HA 0.879 5.210 4.320 0.018 0.000 0.296 374 A C 0.613 178.163 177.584 -0.057 0.000 1.205 374 A CA -0.019 51.992 52.037 -0.043 0.000 0.671 374 A CB 0.555 19.521 19.000 -0.056 0.000 1.301 374 A HN 2.019 nan 8.150 nan 0.000 0.450 375 S N -1.178 114.480 115.700 -0.070 0.000 2.503 375 S HA 0.255 4.736 4.470 0.018 0.000 0.215 375 S C 0.772 175.301 174.600 -0.119 0.000 1.003 375 S CA 1.249 59.397 58.200 -0.087 0.000 0.910 375 S CB -0.423 62.732 63.200 -0.076 0.000 0.790 375 S HN 1.918 nan 8.310 nan 0.000 0.514 376 T N -2.552 111.929 114.554 -0.120 0.000 2.916 376 T HA 0.513 4.874 4.350 0.018 0.000 0.292 376 T C 0.713 175.303 174.700 -0.184 0.000 1.064 376 T CA -0.280 61.729 62.100 -0.152 0.000 1.011 376 T CB 1.305 70.092 68.868 -0.134 0.000 1.152 376 T HN -0.090 nan 8.240 nan 0.000 0.510 377 T N 0.689 115.082 114.554 -0.269 0.000 2.821 377 T HA -0.035 4.326 4.350 0.018 0.000 0.267 377 T C 1.696 176.199 174.700 -0.328 0.000 1.046 377 T CA 1.337 63.209 62.100 -0.380 0.000 1.139 377 T CB -0.254 68.142 68.868 -0.788 0.000 0.871 377 T HN 0.714 nan 8.240 nan 0.000 0.454 378 E N 0.834 120.868 120.200 -0.276 0.000 2.150 378 E HA -0.135 4.226 4.350 0.018 0.000 0.193 378 E C 1.790 178.311 176.600 -0.132 0.000 0.985 378 E CA 0.946 57.239 56.400 -0.177 0.000 0.814 378 E CB -0.081 29.545 29.700 -0.124 0.000 0.752 378 E HN 0.432 nan 8.360 nan 0.000 0.466 379 D N 0.207 120.532 120.400 -0.124 0.000 2.144 379 D HA -0.102 4.549 4.640 0.018 0.000 0.200 379 D C 1.927 178.171 176.300 -0.095 0.000 0.978 379 D CA 0.570 54.513 54.000 -0.096 0.000 0.833 379 D CB -0.401 40.348 40.800 -0.085 0.000 0.961 379 D HN 0.152 nan 8.370 nan 0.000 0.470 380 c N 0.416 118.947 118.600 -0.116 0.000 2.429 380 c HA -0.042 4.539 4.570 0.018 0.000 0.277 380 c C 2.821 176.840 174.090 -0.118 0.000 1.262 380 c CA 0.041 56.302 56.329 -0.114 0.000 1.733 380 c CB -0.891 41.537 42.510 -0.136 0.000 2.010 380 c HN 0.333 nan 8.230 nan 0.000 0.483 381 I N 1.184 121.675 120.570 -0.132 0.000 2.208 381 I HA -0.250 3.931 4.170 0.018 0.000 0.245 381 I C 2.742 178.805 176.117 -0.089 0.000 1.097 381 I CA 1.672 62.903 61.300 -0.116 0.000 1.363 381 I CB -0.597 37.334 38.000 -0.116 0.000 1.051 381 I HN 0.305 nan 8.210 nan 0.000 0.413 382 A N 1.004 123.775 122.820 -0.082 0.000 1.908 382 A HA -0.190 4.141 4.320 0.018 0.000 0.218 382 A C 2.305 179.857 177.584 -0.054 0.000 1.181 382 A CA 1.493 53.490 52.037 -0.066 0.000 0.627 382 A CB -0.887 18.073 19.000 -0.065 0.000 0.818 382 A HN 0.403 nan 8.150 nan 0.000 0.445 383 L N -0.565 120.626 121.223 -0.052 0.000 2.083 383 L HA -0.165 4.186 4.340 0.018 0.000 0.209 383 L C 2.475 179.332 176.870 -0.023 0.000 1.083 383 L CA 1.064 55.886 54.840 -0.030 0.000 0.752 383 L CB -0.542 41.497 42.059 -0.034 0.000 0.899 383 L HN 0.264 nan 8.230 nan 0.000 0.433 384 V N 0.009 119.893 119.914 -0.050 0.000 2.515 384 V HA -0.243 3.888 4.120 0.018 0.000 0.250 384 V C 2.354 178.434 176.094 -0.024 0.000 1.058 384 V CA 1.307 63.577 62.300 -0.049 0.000 1.064 384 V CB -0.254 31.518 31.823 -0.086 0.000 0.675 384 V HN 0.356 nan 8.190 nan 0.000 0.461 385 L N -0.449 120.756 121.223 -0.030 0.000 2.093 385 L HA -0.136 4.215 4.340 0.018 0.000 0.208 385 L C 2.391 179.268 176.870 0.013 0.000 1.085 385 L CA 1.485 56.314 54.840 -0.018 0.000 0.755 385 L CB -0.527 41.510 42.059 -0.037 0.000 0.904 385 L HN 0.279 nan 8.230 nan 0.000 0.435 386 K N -0.188 120.223 120.400 0.018 0.000 2.459 386 K HA 0.094 4.425 4.320 0.018 0.000 0.193 386 K C 1.314 178.050 176.600 0.227 0.000 1.030 386 K CA 0.691 57.027 56.287 0.083 0.000 1.026 386 K CB 0.318 32.826 32.500 0.013 0.000 0.809 386 K HN 0.421 nan 8.250 nan 0.000 0.504 387 G N 2.355 111.227 108.800 0.120 0.000 2.179 387 G HA2 -0.294 3.677 3.960 0.018 0.000 0.260 387 G HA3 -0.294 3.677 3.960 0.018 0.000 0.260 387 G C 0.404 175.353 174.900 0.081 0.000 0.977 387 G CA 0.502 45.662 45.100 0.100 0.000 0.641 387 G HN 0.542 nan 8.290 nan 0.000 0.533 388 E N 0.030 120.284 120.200 0.089 0.000 2.476 388 E HA 0.571 4.932 4.350 0.018 0.000 0.191 388 E C 0.931 177.548 176.600 0.028 0.000 1.064 388 E CA 0.548 56.985 56.400 0.063 0.000 0.866 388 E CB 0.439 30.187 29.700 0.080 0.000 0.952 388 E HN 1.064 nan 8.360 nan 0.000 0.492 389 A N 0.504 123.331 122.820 0.011 0.000 2.593 389 A HA 0.439 4.770 4.320 0.018 0.000 0.290 389 A C -0.898 176.666 177.584 -0.033 0.000 1.126 389 A CA -0.723 51.304 52.037 -0.016 0.000 0.695 389 A CB 1.464 20.437 19.000 -0.045 0.000 1.290 389 A HN -0.041 nan 8.150 nan 0.000 0.414 390 D N -0.874 119.489 120.400 -0.061 0.000 2.434 390 D HA 0.475 5.126 4.640 0.018 0.000 0.288 390 D C 0.460 176.669 176.300 -0.152 0.000 1.083 390 D CA 1.408 55.368 54.000 -0.066 0.000 0.903 390 D CB 1.180 41.972 40.800 -0.013 0.000 1.476 390 D HN 0.932 nan 8.370 nan 0.000 0.502 391 A N 0.533 123.169 122.820 -0.307 0.000 2.599 391 A HA 0.830 5.161 4.320 0.018 0.000 0.290 391 A C -1.440 175.476 177.584 -1.113 0.000 1.101 391 A CA -0.628 51.078 52.037 -0.552 0.000 0.674 391 A CB 1.774 20.498 19.000 -0.460 0.000 1.277 391 A HN 0.068 nan 8.150 nan 0.000 0.419 392 M N -1.024 117.932 119.600 -1.074 0.000 2.822 392 M HA 0.516 5.007 4.480 0.018 0.000 0.275 392 M C -1.152 174.956 176.300 -0.321 0.000 1.084 392 M CA -0.419 54.304 55.300 -0.961 0.000 0.814 392 M CB 1.244 33.526 32.600 -0.530 0.000 1.693 392 M HN 0.720 nan 8.290 nan 0.000 0.531 393 S N 1.476 117.150 115.700 -0.043 0.000 2.499 393 S HA 0.816 5.297 4.470 0.018 0.000 0.279 393 S C -0.887 173.770 174.600 0.095 0.000 1.219 393 S CA -0.586 57.683 58.200 0.115 0.000 1.062 393 S CB 0.337 63.636 63.200 0.164 0.000 0.978 393 S HN 0.539 nan 8.310 nan 0.000 0.489 394 L N 3.222 124.510 121.223 0.109 0.000 2.370 394 L HA 0.469 4.820 4.340 0.018 0.000 0.266 394 L C -0.286 176.548 176.870 -0.061 0.000 1.002 394 L CA -1.079 53.815 54.840 0.090 0.000 0.818 394 L CB 2.107 44.237 42.059 0.117 0.000 1.325 394 L HN 0.599 nan 8.230 nan 0.000 0.418 395 D N 0.860 121.111 120.400 -0.248 0.000 2.382 395 D HA 0.131 4.782 4.640 0.018 0.000 0.240 395 D C 1.326 177.602 176.300 -0.040 0.000 1.146 395 D CA 0.507 54.168 54.000 -0.564 0.000 0.897 395 D CB 1.746 42.277 40.800 -0.447 0.000 1.197 395 D HN 0.626 nan 8.370 nan 0.000 0.432 396 G N 2.004 110.908 108.800 0.172 0.000 2.475 396 G HA2 -0.255 3.716 3.960 0.018 0.000 0.220 396 G HA3 -0.255 3.716 3.960 0.018 0.000 0.220 396 G C 1.391 176.466 174.900 0.292 0.000 1.125 396 G CA 0.771 46.077 45.100 0.343 0.000 0.755 396 G HN 0.631 nan 8.290 nan 0.000 0.565 397 G N -0.187 108.674 108.800 0.101 0.000 2.422 397 G HA2 -0.178 3.793 3.960 0.018 0.000 0.218 397 G HA3 -0.178 3.793 3.960 0.018 0.000 0.218 397 G C 1.539 176.418 174.900 -0.034 0.000 1.146 397 G CA 0.945 46.012 45.100 -0.056 0.000 0.769 397 G HN 0.459 nan 8.290 nan 0.000 0.547 398 Y N 0.105 120.455 120.300 0.084 0.000 2.519 398 Y HA 0.165 4.726 4.550 0.018 0.000 0.287 398 Y C 2.747 178.667 175.900 0.033 0.000 1.128 398 Y CA -0.605 57.517 58.100 0.037 0.000 1.282 398 Y CB -0.399 38.057 38.460 -0.008 0.000 1.027 398 Y HN 0.038 nan 8.280 nan 0.000 0.551 399 V N -0.611 119.431 119.914 0.212 0.000 2.515 399 V HA -0.316 3.815 4.120 0.018 0.000 0.250 399 V C 2.093 178.240 176.094 0.088 0.000 1.058 399 V CA 1.827 64.226 62.300 0.164 0.000 1.064 399 V CB -0.837 31.140 31.823 0.257 0.000 0.675 399 V HN 0.452 nan 8.190 nan 0.000 0.461 400 Y N 1.615 121.914 120.300 -0.002 0.000 2.089 400 Y HA -0.280 4.278 4.550 0.014 0.000 0.282 400 Y C 2.688 178.404 175.900 -0.307 0.000 1.139 400 Y CA 2.470 60.472 58.100 -0.163 0.000 1.123 400 Y CB -0.700 37.705 38.460 -0.093 0.000 0.980 400 Y HN 0.214 nan 8.280 nan 0.000 0.493 401 T N 1.014 115.531 114.554 -0.062 0.000 2.684 401 T HA -0.238 4.124 4.350 0.018 0.000 0.267 401 T C 2.100 176.653 174.700 -0.246 0.000 1.036 401 T CA 1.619 63.627 62.100 -0.152 0.000 1.148 401 T CB -0.902 68.000 68.868 0.055 0.000 0.863 401 T HN 0.528 nan 8.240 nan 0.000 0.436 402 A N 1.403 124.127 122.820 -0.161 0.000 1.883 402 A HA 0.058 4.389 4.320 0.018 0.000 0.217 402 A C 2.647 180.083 177.584 -0.246 0.000 1.186 402 A CA 1.970 53.914 52.037 -0.154 0.000 0.624 402 A CB -1.389 17.564 19.000 -0.077 0.000 0.822 402 A HN 0.525 nan 8.150 nan 0.000 0.444 403 G N -0.726 107.816 108.800 -0.430 0.000 2.408 403 G HA2 -0.183 3.788 3.960 0.018 0.000 0.217 403 G HA3 -0.183 3.788 3.960 0.018 0.000 0.217 403 G C 1.575 176.077 174.900 -0.662 0.000 1.150 403 G CA 0.871 45.622 45.100 -0.582 0.000 0.776 403 G HN 0.507 nan 8.290 nan 0.000 0.542 404 K N -0.387 119.498 120.400 -0.858 0.000 2.439 404 K HA 0.013 4.345 4.320 0.018 0.000 0.197 404 K C 1.679 178.127 176.600 -0.254 0.000 1.041 404 K CA 0.351 56.335 56.287 -0.505 0.000 0.970 404 K CB -0.118 32.028 32.500 -0.590 0.000 0.773 404 K HN 0.317 nan 8.250 nan 0.000 0.479 405 c N -0.115 118.346 118.600 -0.231 0.000 2.791 405 c HA 0.205 4.786 4.570 0.018 0.000 0.270 405 c C 1.525 175.559 174.090 -0.093 0.000 1.257 405 c CA 0.341 56.590 56.329 -0.132 0.000 1.699 405 c CB -0.408 42.032 42.510 -0.117 0.000 1.904 405 c HN 0.750 nan 8.230 nan 0.000 0.603 406 G N 0.427 109.174 108.800 -0.088 0.000 2.195 406 G HA2 -0.173 3.798 3.960 0.018 0.000 0.224 406 G HA3 -0.173 3.798 3.960 0.018 0.000 0.224 406 G C 0.159 175.046 174.900 -0.022 0.000 0.990 406 G CA -0.265 44.814 45.100 -0.036 0.000 0.639 406 G HN 0.433 nan 8.290 nan 0.000 0.514 407 L N 0.785 121.980 121.223 -0.048 0.000 2.474 407 L HA 0.579 4.930 4.340 0.018 0.000 0.259 407 L C 1.081 177.953 176.870 0.003 0.000 1.232 407 L CA -0.055 54.765 54.840 -0.033 0.000 0.821 407 L CB 1.033 43.056 42.059 -0.060 0.000 1.108 407 L HN 0.452 nan 8.230 nan 0.000 0.495 408 V N -1.517 118.401 119.914 0.006 0.000 2.971 408 V HA 0.576 4.707 4.120 0.018 0.000 0.309 408 V C -2.687 173.404 176.094 -0.006 0.000 1.130 408 V CA -2.129 60.188 62.300 0.029 0.000 0.964 408 V CB 1.671 33.514 31.823 0.033 0.000 1.029 408 V HN 0.535 nan 8.190 nan 0.000 0.427 409 P HA 0.379 nan 4.420 nan 0.000 0.275 409 P C 0.091 177.351 177.300 -0.067 0.000 1.228 409 P CA -0.036 62.997 63.100 -0.113 0.000 0.786 409 P CB 2.119 33.637 31.700 -0.304 0.000 0.927 410 V N 2.253 122.139 119.914 -0.046 0.000 2.948 410 V HA 0.224 4.355 4.120 0.018 0.000 0.234 410 V C 0.915 177.017 176.094 0.013 0.000 1.205 410 V CA 0.685 62.988 62.300 0.004 0.000 1.234 410 V CB -0.167 31.683 31.823 0.045 0.000 1.020 410 V HN 0.370 nan 8.190 nan 0.000 0.491 411 L N -0.474 120.770 121.223 0.035 0.000 2.327 411 L HA 0.891 5.242 4.340 0.018 0.000 0.258 411 L C -0.714 176.182 176.870 0.043 0.000 1.024 411 L CA -0.636 54.235 54.840 0.051 0.000 0.825 411 L CB 2.124 44.250 42.059 0.111 0.000 1.386 411 L HN 0.208 nan 8.230 nan 0.000 0.417 412 A N 0.283 123.134 122.820 0.051 0.000 2.380 412 A HA 0.585 4.916 4.320 0.018 0.000 0.315 412 A C -0.860 176.728 177.584 0.006 0.000 1.101 412 A CA -0.579 51.504 52.037 0.076 0.000 0.771 412 A CB 1.102 20.207 19.000 0.175 0.000 1.287 412 A HN 0.723 nan 8.150 nan 0.000 0.436 413 E N 1.536 121.724 120.200 -0.020 0.000 2.299 413 E HA 0.069 4.430 4.350 0.018 0.000 0.272 413 E C -0.762 175.439 176.600 -0.664 0.000 1.043 413 E CA -0.134 56.096 56.400 -0.283 0.000 0.895 413 E CB 0.471 30.074 29.700 -0.161 0.000 1.011 413 E HN 0.456 nan 8.360 nan 0.000 0.432 414 N N 2.696 121.064 118.700 -0.554 0.000 2.426 414 N HA 0.173 4.924 4.740 0.018 0.000 0.275 414 N C -1.514 173.686 175.510 -0.517 0.000 1.019 414 N CA -0.226 52.526 53.050 -0.497 0.000 0.941 414 N CB 0.478 38.833 38.487 -0.221 0.000 1.123 414 N HN 0.251 nan 8.380 nan 0.000 0.486 415 Y N 0.456 120.703 120.300 -0.088 0.000 2.496 415 Y HA 0.348 4.909 4.550 0.018 0.000 0.331 415 Y C 0.967 176.816 175.900 -0.085 0.000 1.140 415 Y CA -1.076 56.953 58.100 -0.118 0.000 1.166 415 Y CB 0.727 39.104 38.460 -0.138 0.000 1.249 415 Y HN 0.246 nan 8.280 nan 0.000 0.479 416 K N 2.254 122.701 120.400 0.079 0.000 2.196 416 K HA -0.072 4.259 4.320 0.018 0.000 0.254 416 K C 0.455 177.068 176.600 0.020 0.000 1.303 416 K CA 0.202 56.501 56.287 0.020 0.000 1.306 416 K CB -0.276 32.220 32.500 -0.007 0.000 0.803 416 K HN 0.849 nan 8.250 nan 0.000 0.469 417 S N 2.580 118.288 115.700 0.012 0.000 2.553 417 S HA -0.139 4.342 4.470 0.018 0.000 0.271 417 S C 0.696 175.297 174.600 0.001 0.000 1.362 417 S CA 0.345 58.551 58.200 0.009 0.000 1.010 417 S CB 0.665 63.864 63.200 -0.000 0.000 0.865 417 S HN 0.622 nan 8.310 nan 0.000 0.543 418 Q N 0.849 120.647 119.800 -0.002 0.000 2.828 418 Q HA 0.155 4.506 4.340 0.018 0.000 0.234 418 Q C 0.714 176.708 176.000 -0.010 0.000 1.348 418 Q CA 0.530 56.327 55.803 -0.009 0.000 0.878 418 Q CB -1.556 27.175 28.738 -0.012 0.000 1.721 418 Q HN 0.841 nan 8.270 nan 0.000 0.550 419 Q N -0.150 119.643 119.800 -0.011 0.000 2.408 419 Q HA -0.216 4.135 4.340 0.018 0.000 0.290 419 Q C 1.109 177.103 176.000 -0.010 0.000 1.221 419 Q CA 1.153 56.949 55.803 -0.012 0.000 0.895 419 Q CB -2.196 26.534 28.738 -0.012 0.000 1.241 419 Q HN 0.828 nan 8.270 nan 0.000 0.494 420 S N -1.856 113.839 115.700 -0.009 0.000 2.348 420 S HA 0.132 4.613 4.470 0.018 0.000 0.219 420 S C 0.570 175.166 174.600 -0.008 0.000 1.033 420 S CA 0.842 59.036 58.200 -0.009 0.000 0.974 420 S CB 0.326 63.521 63.200 -0.008 0.000 0.868 420 S HN 0.607 nan 8.310 nan 0.000 0.459 421 S N 0.305 116.000 115.700 -0.008 0.000 2.651 421 S HA 0.447 4.928 4.470 0.018 0.000 0.279 421 S C -1.296 173.299 174.600 -0.008 0.000 1.148 421 S CA -1.099 57.097 58.200 -0.007 0.000 0.837 421 S CB 0.893 64.089 63.200 -0.006 0.000 1.138 421 S HN 0.166 nan 8.310 nan 0.000 0.478 422 D N 1.823 122.219 120.400 -0.008 0.000 2.278 422 D HA 0.151 4.802 4.640 0.018 0.000 0.240 422 D C -2.296 173.999 176.300 -0.008 0.000 1.347 422 D CA -0.499 53.496 54.000 -0.008 0.000 0.945 422 D CB -0.292 40.503 40.800 -0.007 0.000 1.175 422 D HN 0.259 nan 8.370 nan 0.000 0.519 423 P HA -0.084 nan 4.420 nan 0.000 0.225 423 P C -0.206 177.090 177.300 -0.007 0.000 1.054 423 P CA 0.253 63.348 63.100 -0.009 0.000 1.244 423 P CB -0.357 31.338 31.700 -0.009 0.000 1.310 424 D N 4.758 125.154 120.400 -0.007 0.000 2.487 424 D HA -0.009 4.642 4.640 0.018 0.000 0.243 424 D C -1.141 175.157 176.300 -0.002 0.000 1.154 424 D CA -1.550 52.448 54.000 -0.004 0.000 0.876 424 D CB 0.817 41.614 40.800 -0.004 0.000 1.161 424 D HN 0.155 nan 8.370 nan 0.000 0.478 425 P HA -0.024 nan 4.420 nan 0.000 0.219 425 P C 0.113 177.415 177.300 0.004 0.000 1.150 425 P CA 0.848 63.948 63.100 0.000 0.000 0.814 425 P CB 0.271 31.972 31.700 0.001 0.000 0.787 426 N N -1.585 117.120 118.700 0.008 0.000 2.451 426 N HA 0.061 4.812 4.740 0.018 0.000 0.264 426 N C 1.003 176.524 175.510 0.019 0.000 1.167 426 N CA -0.289 52.770 53.050 0.016 0.000 0.898 426 N CB -0.475 38.024 38.487 0.021 0.000 1.176 426 N HN 0.030 nan 8.380 nan 0.000 0.507 427 c N -0.882 117.723 118.600 0.009 0.000 2.413 427 c HA -0.095 4.486 4.570 0.018 0.000 0.276 427 c C 2.355 176.450 174.090 0.009 0.000 1.236 427 c CA 0.946 57.277 56.329 0.002 0.000 1.735 427 c CB -0.752 41.751 42.510 -0.012 0.000 2.031 427 c HN 0.346 nan 8.230 nan 0.000 0.474 428 V N 0.950 120.869 119.914 0.009 0.000 2.688 428 V HA -0.168 3.963 4.120 0.018 0.000 0.256 428 V C 1.766 177.868 176.094 0.013 0.000 1.084 428 V CA 2.452 64.755 62.300 0.005 0.000 1.103 428 V CB -0.622 31.204 31.823 0.005 0.000 0.688 428 V HN 0.636 nan 8.190 nan 0.000 0.480 429 D N -1.185 119.248 120.400 0.055 0.000 2.433 429 D HA 0.088 4.739 4.640 0.018 0.000 0.211 429 D C 1.091 177.554 176.300 0.271 0.000 1.114 429 D CA -0.189 53.892 54.000 0.135 0.000 0.837 429 D CB 0.364 41.238 40.800 0.123 0.000 0.984 429 D HN 0.316 nan 8.370 nan 0.000 0.505 430 R N 2.477 123.066 120.500 0.147 0.000 2.351 430 R HA 0.149 4.500 4.340 0.018 0.000 0.318 430 R C -2.542 173.852 176.300 0.156 0.000 1.055 430 R CA -1.212 54.953 56.100 0.109 0.000 0.968 430 R CB 0.566 30.890 30.300 0.040 0.000 0.974 430 R HN -0.217 nan 8.270 nan 0.000 0.439 431 P HA -0.086 nan 4.420 nan 0.000 0.266 431 P C -0.553 176.785 177.300 0.064 0.000 1.195 431 P CA -0.241 62.915 63.100 0.093 0.000 0.768 431 P CB 0.571 32.189 31.700 -0.137 0.000 0.838 432 V N 0.534 120.502 119.914 0.090 0.000 2.843 432 V HA 0.127 4.258 4.120 0.018 0.000 0.305 432 V C 0.742 176.843 176.094 0.011 0.000 1.065 432 V CA 0.320 62.645 62.300 0.041 0.000 1.116 432 V CB 0.185 32.051 31.823 0.072 0.000 0.968 432 V HN 0.566 nan 8.190 nan 0.000 0.487 433 E N 2.923 123.131 120.200 0.013 0.000 2.603 433 E HA 0.395 4.756 4.350 0.018 0.000 0.211 433 E C 0.939 177.538 176.600 -0.002 0.000 0.995 433 E CA 0.293 56.691 56.400 -0.003 0.000 0.990 433 E CB 0.746 30.445 29.700 -0.002 0.000 1.036 433 E HN 1.419 nan 8.360 nan 0.000 0.475 434 G N 2.182 111.004 108.800 0.036 0.000 2.888 434 G HA2 -0.276 3.695 3.960 0.018 0.000 0.441 434 G HA3 -0.276 3.695 3.960 0.018 0.000 0.441 434 G C -0.555 174.420 174.900 0.124 0.000 1.461 434 G CA -0.092 45.026 45.100 0.031 0.000 0.897 434 G HN 0.294 nan 8.290 nan 0.000 0.547 435 Y N -2.576 117.709 120.300 -0.025 0.000 2.662 435 Y HA 0.827 5.388 4.550 0.019 0.000 0.335 435 Y C 0.004 175.801 175.900 -0.172 0.000 1.066 435 Y CA -2.017 56.021 58.100 -0.104 0.000 1.116 435 Y CB 1.228 39.588 38.460 -0.166 0.000 1.308 435 Y HN 0.558 nan 8.280 nan 0.000 0.502 436 L N 2.720 123.895 121.223 -0.079 0.000 2.265 436 L HA 0.681 5.032 4.340 0.018 0.000 0.289 436 L C -0.010 176.813 176.870 -0.079 0.000 1.033 436 L CA -1.097 53.600 54.840 -0.238 0.000 0.814 436 L CB 1.241 43.120 42.059 -0.301 0.000 1.203 436 L HN 0.901 nan 8.230 nan 0.000 0.423 437 A N 4.585 127.346 122.820 -0.099 0.000 2.404 437 A HA 0.571 4.902 4.320 0.018 0.000 0.273 437 A C -0.047 177.584 177.584 0.078 0.000 1.144 437 A CA -0.333 51.725 52.037 0.035 0.000 0.806 437 A CB 0.341 19.345 19.000 0.006 0.000 1.080 437 A HN 0.567 nan 8.150 nan 0.000 0.509 438 V N -0.733 119.251 119.914 0.116 0.000 3.126 438 V HA 0.946 5.077 4.120 0.018 0.000 0.314 438 V C 0.023 176.219 176.094 0.171 0.000 1.138 438 V CA -0.588 61.779 62.300 0.112 0.000 1.034 438 V CB 1.657 33.523 31.823 0.071 0.000 1.075 438 V HN 1.533 nan 8.190 nan 0.000 0.442 439 A N 1.894 124.801 122.820 0.145 0.000 2.277 439 A HA 0.784 5.115 4.320 0.018 0.000 0.318 439 A C -0.452 177.157 177.584 0.041 0.000 1.339 439 A CA -0.556 51.553 52.037 0.121 0.000 0.875 439 A CB 0.553 19.716 19.000 0.271 0.000 1.158 439 A HN 1.259 nan 8.150 nan 0.000 0.514 440 V N 3.401 123.307 119.914 -0.013 0.000 2.481 440 V HA 0.600 4.731 4.120 0.018 0.000 0.286 440 V C 0.460 176.580 176.094 0.043 0.000 1.042 440 V CA -0.355 61.978 62.300 0.055 0.000 0.928 440 V CB 0.918 32.803 31.823 0.104 0.000 0.986 440 V HN 0.943 nan 8.190 nan 0.000 0.462 441 V N 2.017 122.005 119.914 0.122 0.000 3.141 441 V HA 0.688 4.819 4.120 0.018 0.000 0.312 441 V C -0.306 175.902 176.094 0.190 0.000 1.157 441 V CA -1.433 60.931 62.300 0.107 0.000 1.041 441 V CB 1.978 33.838 31.823 0.062 0.000 1.071 441 V HN 0.759 nan 8.190 nan 0.000 0.441 442 R N 0.621 121.179 120.500 0.097 0.000 2.490 442 R HA 0.384 4.735 4.340 0.018 0.000 0.280 442 R C 1.445 177.717 176.300 -0.046 0.000 1.077 442 R CA -0.360 55.727 56.100 -0.023 0.000 1.065 442 R CB 0.684 30.931 30.300 -0.088 0.000 1.003 442 R HN 0.776 nan 8.270 nan 0.000 0.470 443 R N 1.287 121.718 120.500 -0.115 0.000 2.091 443 R HA -0.168 4.183 4.340 0.018 0.000 0.238 443 R C 1.453 177.722 176.300 -0.051 0.000 1.136 443 R CA 2.335 58.397 56.100 -0.064 0.000 0.959 443 R CB -0.099 30.149 30.300 -0.087 0.000 0.856 443 R HN 0.717 nan 8.270 nan 0.000 0.437 444 S N 1.027 116.682 115.700 -0.075 0.000 2.370 444 S HA -0.131 4.350 4.470 0.018 0.000 0.226 444 S C 0.459 175.042 174.600 -0.029 0.000 1.033 444 S CA 1.261 59.430 58.200 -0.052 0.000 1.011 444 S CB -0.359 62.803 63.200 -0.063 0.000 0.852 444 S HN 0.318 nan 8.310 nan 0.000 0.457 445 D N 2.762 123.148 120.400 -0.024 0.000 2.598 445 D HA 0.132 4.783 4.640 0.018 0.000 0.231 445 D C 1.022 177.325 176.300 0.004 0.000 1.127 445 D CA 0.289 54.285 54.000 -0.007 0.000 1.126 445 D CB -0.315 40.484 40.800 -0.001 0.000 1.124 445 D HN 0.508 nan 8.370 nan 0.000 0.485 446 T N -2.845 111.710 114.554 0.002 0.000 3.025 446 T HA -0.188 4.173 4.350 0.018 0.000 0.270 446 T C 1.849 176.558 174.700 0.016 0.000 1.126 446 T CA 0.899 63.004 62.100 0.008 0.000 1.105 446 T CB 0.169 69.039 68.868 0.004 0.000 0.884 446 T HN 0.210 nan 8.240 nan 0.000 0.522 447 S N 0.067 115.777 115.700 0.016 0.000 2.425 447 S HA 0.136 4.617 4.470 0.018 0.000 0.225 447 S C 0.774 175.392 174.600 0.030 0.000 1.024 447 S CA -0.459 57.753 58.200 0.020 0.000 0.951 447 S CB -0.532 62.677 63.200 0.014 0.000 0.796 447 S HN 0.307 nan 8.310 nan 0.000 0.498 448 L N 3.774 125.018 121.223 0.034 0.000 2.628 448 L HA 0.223 4.574 4.340 0.018 0.000 0.274 448 L C 0.573 177.487 176.870 0.074 0.000 1.209 448 L CA 1.037 55.907 54.840 0.051 0.000 0.930 448 L CB -0.112 41.977 42.059 0.049 0.000 1.183 448 L HN 0.493 nan 8.230 nan 0.000 0.492 449 T N 1.742 116.349 114.554 0.087 0.000 2.901 449 T HA 0.187 4.548 4.350 0.018 0.000 0.293 449 T C 0.794 175.609 174.700 0.192 0.000 1.084 449 T CA -0.687 61.492 62.100 0.132 0.000 1.008 449 T CB 0.526 69.454 68.868 0.099 0.000 1.170 449 T HN 0.658 nan 8.240 nan 0.000 0.509 450 W N 1.855 123.188 121.300 0.055 0.000 2.350 450 W HA -0.169 4.502 4.660 0.017 0.000 0.289 450 W C 1.054 177.607 176.519 0.055 0.000 1.215 450 W CA 1.426 58.815 57.345 0.073 0.000 1.236 450 W CB -0.123 29.375 29.460 0.062 0.000 1.130 450 W HN 0.705 nan 8.180 nan 0.000 0.541 451 N N 0.187 118.902 118.700 0.025 0.000 2.396 451 N HA -0.123 4.628 4.740 0.018 0.000 0.180 451 N C 1.434 176.865 175.510 -0.132 0.000 1.028 451 N CA 1.689 54.683 53.050 -0.092 0.000 0.893 451 N CB -0.325 38.163 38.487 0.001 0.000 0.967 451 N HN 0.117 nan 8.380 nan 0.000 0.440 452 S N -1.088 114.565 115.700 -0.078 0.000 2.664 452 S HA 0.217 4.698 4.470 0.018 0.000 0.245 452 S C 1.196 175.767 174.600 -0.048 0.000 1.019 452 S CA -0.496 57.668 58.200 -0.059 0.000 0.996 452 S CB 0.282 63.474 63.200 -0.013 0.000 0.878 452 S HN -0.068 nan 8.310 nan 0.000 0.493 453 V N 1.966 121.820 119.914 -0.100 0.000 2.951 453 V HA 0.107 4.238 4.120 0.018 0.000 0.255 453 V C 0.720 176.850 176.094 0.060 0.000 1.088 453 V CA 0.637 62.944 62.300 0.010 0.000 1.109 453 V CB -0.362 31.482 31.823 0.035 0.000 0.724 453 V HN 0.585 nan 8.190 nan 0.000 0.471 454 K N 0.345 120.661 120.400 -0.140 0.000 2.448 454 K HA 0.382 4.713 4.320 0.018 0.000 0.278 454 K C 1.086 177.657 176.600 -0.049 0.000 1.009 454 K CA 0.586 56.748 56.287 -0.207 0.000 0.995 454 K CB 0.091 32.399 32.500 -0.321 0.000 0.917 454 K HN 0.281 nan 8.250 nan 0.000 0.481 455 G N 1.172 109.975 108.800 0.004 0.000 2.199 455 G HA2 -0.287 3.684 3.960 0.018 0.000 0.254 455 G HA3 -0.287 3.684 3.960 0.018 0.000 0.254 455 G C -0.008 174.994 174.900 0.169 0.000 0.982 455 G CA 0.465 45.613 45.100 0.080 0.000 0.632 455 G HN 0.538 nan 8.290 nan 0.000 0.529 456 K N 0.287 120.839 120.400 0.255 0.000 2.488 456 K HA 0.697 5.028 4.320 0.018 0.000 0.255 456 K C 0.574 177.318 176.600 0.240 0.000 1.036 456 K CA -0.306 56.104 56.287 0.206 0.000 0.990 456 K CB 0.400 32.989 32.500 0.148 0.000 1.304 456 K HN 0.205 nan 8.250 nan 0.000 0.505 457 K N 0.395 120.851 120.400 0.094 0.000 2.172 457 K HA 0.334 4.665 4.320 0.018 0.000 0.276 457 K C -0.761 175.744 176.600 -0.159 0.000 1.013 457 K CA -0.532 55.772 56.287 0.029 0.000 0.913 457 K CB 1.500 34.013 32.500 0.022 0.000 1.055 457 K HN 0.631 nan 8.250 nan 0.000 0.461 458 S N 0.574 116.112 115.700 -0.270 0.000 2.566 458 S HA 0.571 5.052 4.470 0.018 0.000 0.298 458 S C -0.599 173.812 174.600 -0.315 0.000 1.083 458 S CA -0.925 56.947 58.200 -0.546 0.000 0.978 458 S CB 1.073 63.592 63.200 -1.134 0.000 1.073 458 S HN 0.581 nan 8.310 nan 0.000 0.491 459 c N 3.406 121.742 118.600 -0.440 0.000 2.340 459 c HA 0.656 5.237 4.570 0.018 0.000 0.323 459 c C -0.260 173.694 174.090 -0.227 0.000 1.260 459 c CA -0.581 55.602 56.329 -0.243 0.000 1.464 459 c CB -0.580 41.765 42.510 -0.275 0.000 2.156 459 c HN 0.904 nan 8.230 nan 0.000 0.476 460 H N 1.061 120.217 119.070 0.144 0.000 2.622 460 H HA 0.274 4.841 4.556 0.019 0.000 0.363 460 H C 0.953 176.341 175.328 0.100 0.000 1.151 460 H CA -0.107 56.077 56.048 0.227 0.000 1.184 460 H CB 1.888 31.870 29.762 0.368 0.000 1.643 460 H HN 0.673 nan 8.280 nan 0.000 0.531 461 T N -0.089 114.558 114.554 0.155 0.000 2.720 461 T HA 0.142 4.503 4.350 0.018 0.000 0.268 461 T C 0.844 175.471 174.700 -0.123 0.000 1.037 461 T CA 0.865 62.901 62.100 -0.107 0.000 1.144 461 T CB 0.141 68.843 68.868 -0.277 0.000 0.864 461 T HN 0.770 nan 8.240 nan 0.000 0.444 462 A N -0.555 122.285 122.820 0.034 0.000 2.517 462 A HA 0.531 4.862 4.320 0.018 0.000 0.296 462 A C -0.868 176.663 177.584 -0.089 0.000 0.983 462 A CA -0.713 51.354 52.037 0.051 0.000 0.634 462 A CB 0.445 19.547 19.000 0.170 0.000 1.341 462 A HN 0.384 nan 8.150 nan 0.000 0.438 463 V N 2.018 121.733 119.914 -0.331 0.000 2.740 463 V HA 0.348 4.479 4.120 0.018 0.000 0.303 463 V C 0.745 176.509 176.094 -0.550 0.000 1.054 463 V CA 1.576 63.334 62.300 -0.903 0.000 1.106 463 V CB 0.616 31.871 31.823 -0.947 0.000 0.957 463 V HN 1.037 nan 8.190 nan 0.000 0.486 464 D N 1.106 121.114 120.400 -0.653 0.000 2.911 464 D HA -0.147 4.504 4.640 0.018 0.000 0.199 464 D C 0.550 176.657 176.300 -0.322 0.000 1.041 464 D CA 1.061 54.877 54.000 -0.306 0.000 1.013 464 D CB -0.508 40.173 40.800 -0.200 0.000 1.093 464 D HN 0.718 nan 8.370 nan 0.000 0.431 465 R N 0.239 120.595 120.500 -0.239 0.000 2.500 465 R HA 0.453 4.804 4.340 0.018 0.000 0.277 465 R C 1.586 177.911 176.300 0.043 0.000 1.026 465 R CA -0.101 55.864 56.100 -0.225 0.000 1.058 465 R CB 0.710 30.895 30.300 -0.191 0.000 1.078 465 R HN -0.086 nan 8.270 nan 0.000 0.509 466 T N 1.528 116.147 114.554 0.109 0.000 2.529 466 T HA -0.252 4.109 4.350 0.018 0.000 0.261 466 T C 1.847 176.653 174.700 0.176 0.000 1.110 466 T CA 1.996 64.213 62.100 0.194 0.000 1.192 466 T CB -0.256 68.707 68.868 0.159 0.000 0.864 466 T HN 0.754 nan 8.240 nan 0.000 0.407 467 A N 1.144 124.112 122.820 0.246 0.000 1.898 467 A HA 0.190 4.521 4.320 0.018 0.000 0.216 467 A C 2.579 180.324 177.584 0.268 0.000 1.181 467 A CA 1.739 53.934 52.037 0.263 0.000 0.620 467 A CB -1.230 18.032 19.000 0.436 0.000 0.819 467 A HN 0.549 nan 8.150 nan 0.000 0.442 468 G N -3.093 105.867 108.800 0.267 0.000 2.572 468 G HA2 -0.009 3.962 3.960 0.018 0.000 0.216 468 G HA3 -0.009 3.962 3.960 0.018 0.000 0.216 468 G C 1.128 176.319 174.900 0.485 0.000 1.133 468 G CA 0.975 46.290 45.100 0.359 0.000 0.791 468 G HN 0.645 nan 8.290 nan 0.000 0.538 469 W N -0.691 120.645 121.300 0.060 0.000 5.441 469 W HA 0.058 4.728 4.660 0.016 0.000 0.169 469 W C 1.209 177.666 176.519 -0.104 0.000 1.574 469 W CA 0.117 57.427 57.345 -0.057 0.000 2.017 469 W CB -0.413 28.960 29.460 -0.144 0.000 0.678 469 W HN 0.031 nan 8.180 nan 0.000 1.088 470 N N 1.850 120.655 118.700 0.175 0.000 2.205 470 N HA -0.152 4.599 4.740 0.018 0.000 0.186 470 N C 1.612 177.121 175.510 -0.001 0.000 1.015 470 N CA 2.267 55.355 53.050 0.064 0.000 0.862 470 N CB -0.473 38.107 38.487 0.155 0.000 0.986 470 N HN 0.295 nan 8.380 nan 0.000 0.429 471 I N 1.067 121.654 120.570 0.028 0.000 2.296 471 I HA -0.075 4.106 4.170 0.018 0.000 0.242 471 I C -0.743 175.349 176.117 -0.041 0.000 1.087 471 I CA 0.515 61.822 61.300 0.013 0.000 1.393 471 I CB -1.043 36.962 38.000 0.009 0.000 1.093 471 I HN 0.058 nan 8.210 nan 0.000 0.421 472 P HA -0.174 nan 4.420 nan 0.000 0.213 472 P C 1.741 178.986 177.300 -0.091 0.000 1.170 472 P CA 1.756 64.753 63.100 -0.172 0.000 0.898 472 P CB -0.162 31.055 31.700 -0.806 0.000 0.787 473 M N -0.673 118.734 119.600 -0.320 0.000 2.213 473 M HA -0.018 4.473 4.480 0.018 0.000 0.263 473 M C 2.427 178.707 176.300 -0.034 0.000 1.062 473 M CA 1.796 56.907 55.300 -0.315 0.000 1.105 473 M CB -2.426 29.498 32.600 -1.128 0.000 1.385 473 M HN 0.018 nan 8.290 nan 0.000 0.417 474 G N 0.166 108.926 108.800 -0.067 0.000 2.422 474 G HA2 -0.125 3.846 3.960 0.018 0.000 0.218 474 G HA3 -0.125 3.846 3.960 0.018 0.000 0.218 474 G C 1.760 176.769 174.900 0.181 0.000 1.146 474 G CA 0.361 45.503 45.100 0.071 0.000 0.769 474 G HN 0.386 nan 8.290 nan 0.000 0.547 475 L N -0.143 121.176 121.223 0.159 0.000 2.027 475 L HA 0.020 4.371 4.340 0.018 0.000 0.206 475 L C 2.920 179.921 176.870 0.219 0.000 1.074 475 L CA 0.625 55.594 54.840 0.215 0.000 0.745 475 L CB -0.339 41.897 42.059 0.295 0.000 0.898 475 L HN 0.185 nan 8.230 nan 0.000 0.433 476 L N -1.434 119.902 121.223 0.189 0.000 2.093 476 L HA -0.246 4.105 4.340 0.018 0.000 0.208 476 L C 2.547 179.412 176.870 -0.009 0.000 1.085 476 L CA 1.263 56.083 54.840 -0.033 0.000 0.755 476 L CB -0.516 41.412 42.059 -0.219 0.000 0.904 476 L HN 0.204 nan 8.230 nan 0.000 0.435 477 F N 1.214 121.247 119.950 0.138 0.000 2.216 477 F HA -0.218 4.318 4.527 0.015 0.000 0.300 477 F C 2.172 178.026 175.800 0.090 0.000 1.085 477 F CA 1.640 59.768 58.000 0.213 0.000 1.326 477 F CB -0.198 39.008 39.000 0.343 0.000 1.027 477 F HN 0.094 nan 8.300 nan 0.000 0.497 478 N N -0.451 118.352 118.700 0.172 0.000 2.459 478 N HA -0.107 4.644 4.740 0.018 0.000 0.181 478 N C 1.625 177.113 175.510 -0.037 0.000 1.046 478 N CA 0.817 53.913 53.050 0.076 0.000 0.904 478 N CB 0.043 38.608 38.487 0.130 0.000 0.964 478 N HN 0.452 nan 8.380 nan 0.000 0.444 479 Q N -1.069 118.693 119.800 -0.065 0.000 1.961 479 Q HA -0.063 4.288 4.340 0.018 0.000 0.197 479 Q C 2.169 178.063 176.000 -0.175 0.000 0.977 479 Q CA 1.895 57.636 55.803 -0.104 0.000 0.830 479 Q CB -0.291 28.378 28.738 -0.114 0.000 0.896 479 Q HN 0.498 nan 8.270 nan 0.000 0.437 480 T N -2.956 111.449 114.554 -0.248 0.000 2.735 480 T HA 0.119 4.480 4.350 0.018 0.000 0.256 480 T C 1.496 176.006 174.700 -0.317 0.000 1.042 480 T CA 1.294 63.238 62.100 -0.260 0.000 1.147 480 T CB -0.075 68.624 68.868 -0.282 0.000 0.865 480 T HN 0.537 nan 8.240 nan 0.000 0.421 481 G N 0.391 108.861 108.800 -0.550 0.000 2.184 481 G HA2 -0.164 3.807 3.960 0.018 0.000 0.206 481 G HA3 -0.164 3.807 3.960 0.018 0.000 0.206 481 G C 0.209 174.771 174.900 -0.564 0.000 0.995 481 G CA 0.389 45.048 45.100 -0.736 0.000 0.651 481 G HN 0.950 nan 8.290 nan 0.000 0.511 482 S N -0.627 114.894 115.700 -0.298 0.000 2.528 482 S HA 0.398 4.879 4.470 0.018 0.000 0.277 482 S C 1.453 176.133 174.600 0.133 0.000 1.297 482 S CA 0.262 58.446 58.200 -0.027 0.000 1.052 482 S CB 0.556 63.802 63.200 0.076 0.000 0.917 482 S HN 0.571 nan 8.310 nan 0.000 0.492 483 c N 4.771 123.375 118.600 0.007 0.000 2.626 483 c HA 0.275 4.856 4.570 0.018 0.000 0.266 483 c C 1.339 175.020 174.090 -0.681 0.000 1.317 483 c CA -0.307 55.800 56.329 -0.372 0.000 1.716 483 c CB -1.259 41.147 42.510 -0.173 0.000 1.819 483 c HN 0.714 nan 8.230 nan 0.000 0.578 484 K N 1.347 121.549 120.400 -0.330 0.000 2.480 484 K HA 0.104 4.435 4.320 0.018 0.000 0.241 484 K C 0.329 176.766 176.600 -0.271 0.000 1.261 484 K CA -0.171 55.987 56.287 -0.216 0.000 1.193 484 K CB -0.198 32.275 32.500 -0.044 0.000 1.598 484 K HN 0.385 nan 8.250 nan 0.000 0.278 485 F N 1.119 120.902 119.950 -0.277 0.000 2.250 485 F HA -0.214 4.323 4.527 0.016 0.000 0.301 485 F C 1.909 177.508 175.800 -0.335 0.000 1.077 485 F CA 1.151 58.740 58.000 -0.685 0.000 1.348 485 F CB -0.324 38.463 39.000 -0.356 0.000 1.040 485 F HN 0.415 nan 8.300 nan 0.000 0.509 486 D N -0.422 120.027 120.400 0.081 0.000 2.336 486 D HA -0.102 4.549 4.640 0.018 0.000 0.229 486 D C 1.258 177.643 176.300 0.142 0.000 1.061 486 D CA 0.424 54.515 54.000 0.152 0.000 0.875 486 D CB -0.518 40.371 40.800 0.147 0.000 0.904 486 D HN 0.373 nan 8.370 nan 0.000 0.525 487 E N -1.023 119.252 120.200 0.125 0.000 2.526 487 E HA 0.003 4.364 4.350 0.018 0.000 0.208 487 E C 0.541 177.272 176.600 0.219 0.000 0.997 487 E CA -0.242 56.251 56.400 0.154 0.000 0.961 487 E CB 0.294 30.065 29.700 0.117 0.000 1.030 487 E HN 0.164 nan 8.360 nan 0.000 0.483 488 Y N -0.504 119.747 120.300 -0.081 0.000 2.220 488 Y HA 0.003 4.564 4.550 0.017 0.000 0.291 488 Y C 0.780 176.364 175.900 -0.526 0.000 1.129 488 Y CA 0.672 58.548 58.100 -0.372 0.000 1.161 488 Y CB -0.027 38.106 38.460 -0.545 0.000 0.997 488 Y HN -0.105 nan 8.280 nan 0.000 0.522 489 F N -1.062 119.050 119.950 0.269 0.000 2.546 489 F HA 0.293 4.831 4.527 0.019 0.000 0.320 489 F C 1.439 177.329 175.800 0.151 0.000 1.076 489 F CA -0.806 57.309 58.000 0.192 0.000 0.928 489 F CB 1.243 40.386 39.000 0.238 0.000 1.189 489 F HN -0.238 nan 8.300 nan 0.000 0.465 490 S N 1.748 117.627 115.700 0.298 0.000 2.377 490 S HA -0.158 4.323 4.470 0.018 0.000 0.224 490 S C 0.229 174.948 174.600 0.198 0.000 1.042 490 S CA 1.141 59.456 58.200 0.193 0.000 1.086 490 S CB -0.490 62.797 63.200 0.144 0.000 0.995 490 S HN 0.727 nan 8.310 nan 0.000 0.428 491 Q N -0.556 119.366 119.800 0.204 0.000 2.456 491 Q HA 0.793 5.144 4.340 0.018 0.000 0.283 491 Q C -1.453 174.666 176.000 0.198 0.000 1.084 491 Q CA -0.876 55.038 55.803 0.184 0.000 0.801 491 Q CB 2.425 31.239 28.738 0.128 0.000 1.434 491 Q HN 0.391 nan 8.270 nan 0.000 0.419 492 S N -0.225 115.598 115.700 0.205 0.000 2.651 492 S HA 0.546 5.027 4.470 0.018 0.000 0.279 492 S C -1.541 173.182 174.600 0.204 0.000 1.148 492 S CA -0.723 57.605 58.200 0.213 0.000 0.837 492 S CB 1.740 65.158 63.200 0.363 0.000 1.138 492 S HN 0.722 nan 8.310 nan 0.000 0.478 493 c N 2.152 120.883 118.600 0.218 0.000 2.271 493 c HA 0.834 5.415 4.570 0.018 0.000 0.323 493 c C -0.043 174.233 174.090 0.309 0.000 1.245 493 c CA -0.154 56.317 56.329 0.236 0.000 1.548 493 c CB -1.074 41.591 42.510 0.259 0.000 2.214 493 c HN 0.909 nan 8.230 nan 0.000 0.477 494 A N 8.060 131.035 122.820 0.258 0.000 3.082 494 A HA 0.607 4.938 4.320 0.018 0.000 0.328 494 A C -2.846 174.783 177.584 0.074 0.000 1.089 494 A CA -0.960 51.200 52.037 0.206 0.000 0.802 494 A CB 0.248 19.349 19.000 0.169 0.000 1.138 494 A HN 0.678 nan 8.150 nan 0.000 0.474 495 P HA 0.280 nan 4.420 nan 0.000 0.265 495 P C 1.231 178.547 177.300 0.027 0.000 1.187 495 P CA 2.215 65.382 63.100 0.111 0.000 0.766 495 P CB 0.789 32.647 31.700 0.264 0.000 0.820 496 G N 0.798 109.591 108.800 -0.011 0.000 2.195 496 G HA2 -0.205 3.766 3.960 0.018 0.000 0.224 496 G HA3 -0.205 3.766 3.960 0.018 0.000 0.224 496 G C 0.514 175.355 174.900 -0.098 0.000 0.990 496 G CA 0.022 45.086 45.100 -0.060 0.000 0.639 496 G HN 0.574 nan 8.290 nan 0.000 0.514 497 S N 0.056 115.703 115.700 -0.089 0.000 2.686 497 S HA 0.495 4.976 4.470 0.018 0.000 0.270 497 S C -0.034 174.551 174.600 -0.026 0.000 1.194 497 S CA 0.028 58.183 58.200 -0.074 0.000 0.990 497 S CB 1.182 64.355 63.200 -0.045 0.000 1.029 497 S HN 0.446 nan 8.310 nan 0.000 0.560 498 D N 1.017 121.414 120.400 -0.005 0.000 2.358 498 D HA 0.223 4.874 4.640 0.018 0.000 0.258 498 D C -1.778 174.533 176.300 0.017 0.000 1.223 498 D CA -1.929 52.074 54.000 0.006 0.000 0.886 498 D CB 1.009 41.818 40.800 0.015 0.000 1.120 498 D HN -0.025 nan 8.370 nan 0.000 0.482 499 P HA -0.154 nan 4.420 nan 0.000 0.218 499 P C 1.010 178.324 177.300 0.023 0.000 1.148 499 P CA 1.113 64.222 63.100 0.014 0.000 0.822 499 P CB -0.031 31.671 31.700 0.003 0.000 0.784 500 R N -0.806 119.707 120.500 0.022 0.000 2.310 500 R HA 0.132 4.483 4.340 0.018 0.000 0.202 500 R C 0.877 177.199 176.300 0.038 0.000 0.933 500 R CA 0.155 56.271 56.100 0.026 0.000 1.054 500 R CB -0.359 29.953 30.300 0.020 0.000 0.985 500 R HN 0.051 nan 8.270 nan 0.000 0.489 501 S N 0.168 115.896 115.700 0.046 0.000 2.632 501 S HA 0.106 4.587 4.470 0.018 0.000 0.267 501 S C 0.370 175.019 174.600 0.081 0.000 1.276 501 S CA -0.592 57.646 58.200 0.064 0.000 0.998 501 S CB 1.223 64.465 63.200 0.070 0.000 0.953 501 S HN 0.463 nan 8.310 nan 0.000 0.547 502 N N 1.021 119.780 118.700 0.099 0.000 2.512 502 N HA 0.109 4.860 4.740 0.018 0.000 0.183 502 N C 1.105 176.708 175.510 0.154 0.000 1.073 502 N CA 0.419 53.541 53.050 0.119 0.000 0.911 502 N CB -0.257 38.306 38.487 0.127 0.000 0.964 502 N HN 0.504 nan 8.380 nan 0.000 0.447 503 L N -0.754 120.567 121.223 0.162 0.000 2.552 503 L HA 0.007 4.358 4.340 0.018 0.000 0.227 503 L C 0.891 177.856 176.870 0.159 0.000 1.146 503 L CA 0.340 55.299 54.840 0.198 0.000 0.858 503 L CB 0.141 42.324 42.059 0.205 0.000 0.969 503 L HN 0.337 nan 8.230 nan 0.000 0.451 504 c N -1.464 117.207 118.600 0.118 0.000 3.183 504 c HA 0.320 4.901 4.570 0.018 0.000 0.285 504 c C 2.687 176.832 174.090 0.091 0.000 1.313 504 c CA -0.023 56.363 56.329 0.095 0.000 1.711 504 c CB -0.312 42.234 42.510 0.061 0.000 2.135 504 c HN 0.566 nan 8.230 nan 0.000 0.651 505 A N 1.286 124.167 122.820 0.101 0.000 1.892 505 A HA -0.145 4.186 4.320 0.018 0.000 0.218 505 A C 1.911 179.547 177.584 0.087 0.000 1.188 505 A CA 1.643 53.732 52.037 0.086 0.000 0.631 505 A CB -0.521 18.535 19.000 0.093 0.000 0.822 505 A HN 0.598 nan 8.150 nan 0.000 0.447 506 L N -0.401 120.892 121.223 0.118 0.000 2.418 506 L HA -0.025 4.326 4.340 0.018 0.000 0.218 506 L C 0.844 177.814 176.870 0.166 0.000 1.125 506 L CA -0.546 54.380 54.840 0.144 0.000 0.835 506 L CB -0.885 41.269 42.059 0.158 0.000 0.953 506 L HN 0.336 nan 8.230 nan 0.000 0.454 507 c N 0.974 119.653 118.600 0.131 0.000 2.775 507 c HA 0.013 4.594 4.570 0.018 0.000 0.391 507 c C 1.714 175.740 174.090 -0.106 0.000 1.295 507 c CA -0.135 56.228 56.329 0.057 0.000 2.119 507 c CB 0.079 42.629 42.510 0.066 0.000 2.705 507 c HN 0.524 nan 8.230 nan 0.000 0.710 508 I N -1.015 119.393 120.570 -0.272 0.000 4.219 508 I HA 0.457 4.638 4.170 0.018 0.000 0.329 508 I C 0.837 176.829 176.117 -0.209 0.000 1.427 508 I CA 0.386 61.510 61.300 -0.293 0.000 1.151 508 I CB -0.849 36.834 38.000 -0.529 0.000 1.369 508 I HN 0.910 nan 8.210 nan 0.000 0.521 509 G N 3.072 111.783 108.800 -0.149 0.000 2.622 509 G HA2 -0.327 3.644 3.960 0.018 0.000 0.272 509 G HA3 -0.327 3.644 3.960 0.018 0.000 0.272 509 G C -0.355 174.486 174.900 -0.098 0.000 1.308 509 G CA 0.561 45.604 45.100 -0.095 0.000 0.919 509 G HN 0.842 nan 8.290 nan 0.000 0.565 510 D N -0.425 119.938 120.400 -0.062 0.000 2.414 510 D HA 0.373 5.024 4.640 0.018 0.000 0.251 510 D C 1.570 177.844 176.300 -0.044 0.000 1.252 510 D CA 0.305 54.279 54.000 -0.044 0.000 0.999 510 D CB 0.093 40.877 40.800 -0.026 0.000 1.093 510 D HN 0.756 nan 8.370 nan 0.000 0.515 511 E N -0.806 119.381 120.200 -0.023 0.000 2.171 511 E HA -0.268 4.093 4.350 0.018 0.000 0.197 511 E C 1.645 178.235 176.600 -0.016 0.000 0.997 511 E CA 1.051 57.443 56.400 -0.014 0.000 0.810 511 E CB -0.349 29.355 29.700 0.007 0.000 0.738 511 E HN 0.413 nan 8.360 nan 0.000 0.467 512 Q N -0.118 119.673 119.800 -0.016 0.000 2.435 512 Q HA 0.031 4.382 4.340 0.018 0.000 0.207 512 Q C 1.345 177.332 176.000 -0.022 0.000 0.956 512 Q CA 1.010 56.804 55.803 -0.015 0.000 0.917 512 Q CB 0.457 29.188 28.738 -0.011 0.000 0.997 512 Q HN 0.490 nan 8.270 nan 0.000 0.497 513 G N 1.191 109.971 108.800 -0.034 0.000 2.164 513 G HA2 -0.220 3.751 3.960 0.018 0.000 0.212 513 G HA3 -0.220 3.751 3.960 0.018 0.000 0.212 513 G C -0.417 174.460 174.900 -0.038 0.000 1.031 513 G CA 0.148 45.223 45.100 -0.043 0.000 0.730 513 G HN 0.363 nan 8.290 nan 0.000 0.501 514 E N -0.641 119.537 120.200 -0.036 0.000 2.299 514 E HA 0.673 5.034 4.350 0.018 0.000 0.260 514 E C 0.721 177.298 176.600 -0.038 0.000 0.944 514 E CA -1.028 55.353 56.400 -0.032 0.000 0.815 514 E CB 0.775 30.459 29.700 -0.025 0.000 1.252 514 E HN 0.027 nan 8.360 nan 0.000 0.418 515 N N 0.826 119.505 118.700 -0.036 0.000 2.818 515 N HA -0.152 4.599 4.740 0.018 0.000 0.250 515 N C -1.184 174.301 175.510 -0.041 0.000 1.108 515 N CA 0.715 53.741 53.050 -0.041 0.000 0.745 515 N CB -0.978 37.481 38.487 -0.046 0.000 1.104 515 N HN 0.457 nan 8.380 nan 0.000 0.557 516 K N -0.262 120.116 120.400 -0.036 0.000 2.524 516 K HA 0.058 4.389 4.320 0.018 0.000 0.279 516 K C 1.170 177.762 176.600 -0.014 0.000 0.993 516 K CA 0.713 56.981 56.287 -0.031 0.000 1.030 516 K CB 0.393 32.878 32.500 -0.026 0.000 0.891 516 K HN 0.432 nan 8.250 nan 0.000 0.488 517 c N 2.093 120.697 118.600 0.007 0.000 4.473 517 c HA -0.164 4.417 4.570 0.018 0.000 0.272 517 c C 0.687 174.781 174.090 0.006 0.000 1.434 517 c CA 0.415 56.762 56.329 0.029 0.000 1.761 517 c CB -1.991 40.535 42.510 0.026 0.000 1.564 517 c HN 0.681 nan 8.230 nan 0.000 0.725 518 V N 3.210 123.109 119.914 -0.026 0.000 2.521 518 V HA 0.319 4.450 4.120 0.018 0.000 0.286 518 V C -1.132 174.890 176.094 -0.120 0.000 1.034 518 V CA -0.309 61.949 62.300 -0.070 0.000 1.045 518 V CB 1.278 33.048 31.823 -0.089 0.000 0.974 518 V HN 0.360 nan 8.190 nan 0.000 0.480 519 P HA 0.146 nan 4.420 nan 0.000 0.238 519 P C -1.011 175.880 177.300 -0.681 0.000 1.714 519 P CA 0.139 63.131 63.100 -0.181 0.000 0.908 519 P CB -0.606 31.076 31.700 -0.031 0.000 1.893 520 N N -2.215 115.931 118.700 -0.922 0.000 2.934 520 N HA 0.121 4.872 4.740 0.018 0.000 0.253 520 N C 0.691 175.752 175.510 -0.749 0.000 1.466 520 N CA -0.755 51.680 53.050 -1.025 0.000 0.858 520 N CB 0.001 38.236 38.487 -0.420 0.000 1.459 520 N HN -0.231 nan 8.380 nan 0.000 0.532 521 S N -0.758 114.745 115.700 -0.328 0.000 2.465 521 S HA -0.165 4.316 4.470 0.018 0.000 0.241 521 S C 0.951 175.559 174.600 0.014 0.000 1.000 521 S CA 0.717 58.935 58.200 0.030 0.000 0.964 521 S CB -0.745 62.527 63.200 0.119 0.000 0.763 521 S HN 0.554 nan 8.310 nan 0.000 0.512 522 N N 1.910 120.575 118.700 -0.058 0.000 2.166 522 N HA -0.067 4.684 4.740 0.018 0.000 0.186 522 N C 0.674 176.171 175.510 -0.022 0.000 1.019 522 N CA 1.208 54.239 53.050 -0.032 0.000 0.856 522 N CB -0.550 37.906 38.487 -0.052 0.000 0.993 522 N HN 0.728 nan 8.380 nan 0.000 0.426 523 E N 1.248 121.431 120.200 -0.028 0.000 2.299 523 E HA 0.055 4.416 4.350 0.018 0.000 0.272 523 E C 0.693 177.336 176.600 0.071 0.000 1.043 523 E CA 0.066 56.472 56.400 0.010 0.000 0.895 523 E CB 0.514 30.239 29.700 0.041 0.000 1.011 523 E HN 0.026 nan 8.360 nan 0.000 0.432 524 R N 3.326 123.816 120.500 -0.016 0.000 2.189 524 R HA -0.097 4.254 4.340 0.018 0.000 0.223 524 R C 0.355 176.759 176.300 0.173 0.000 1.092 524 R CA 0.886 56.986 56.100 -0.000 0.000 0.989 524 R CB 0.040 30.252 30.300 -0.146 0.000 0.876 524 R HN 0.598 nan 8.270 nan 0.000 0.457 525 Y N -1.405 118.892 120.300 -0.004 0.000 2.571 525 Y HA 0.103 4.663 4.550 0.018 0.000 0.275 525 Y C -0.270 175.661 175.900 0.052 0.000 1.179 525 Y CA -1.496 56.589 58.100 -0.025 0.000 1.242 525 Y CB -0.672 37.769 38.460 -0.030 0.000 1.126 525 Y HN -0.029 nan 8.280 nan 0.000 0.524 526 Y N 0.883 121.260 120.300 0.128 0.000 2.309 526 Y HA 0.502 5.063 4.550 0.018 0.000 0.327 526 Y C 0.864 176.804 175.900 0.066 0.000 1.172 526 Y CA 0.684 58.834 58.100 0.083 0.000 1.280 526 Y CB 0.521 39.016 38.460 0.059 0.000 1.234 526 Y HN 0.370 nan 8.280 nan 0.000 0.512 527 G N 3.640 111.937 108.800 -0.838 0.000 2.698 527 G HA2 -0.326 3.645 3.960 0.018 0.000 0.225 527 G HA3 -0.326 3.645 3.960 0.018 0.000 0.225 527 G C -0.239 174.483 174.900 -0.297 0.000 1.345 527 G CA 0.002 44.662 45.100 -0.733 0.000 0.871 527 G HN 0.713 nan 8.290 nan 0.000 0.540 528 Y N 0.228 120.464 120.300 -0.107 0.000 2.070 528 Y HA -0.103 4.458 4.550 0.018 0.000 0.280 528 Y C 3.516 179.411 175.900 -0.009 0.000 1.148 528 Y CA 2.698 60.767 58.100 -0.051 0.000 1.125 528 Y CB -1.097 37.316 38.460 -0.078 0.000 0.975 528 Y HN 0.620 nan 8.280 nan 0.000 0.492 529 T N -0.576 114.092 114.554 0.190 0.000 2.708 529 T HA -0.168 4.193 4.350 0.018 0.000 0.266 529 T C 2.232 176.987 174.700 0.091 0.000 1.037 529 T CA 1.568 63.786 62.100 0.197 0.000 1.146 529 T CB -1.005 68.004 68.868 0.236 0.000 0.865 529 T HN 0.591 nan 8.240 nan 0.000 0.435 530 G N 0.892 109.712 108.800 0.033 0.000 2.418 530 G HA2 -0.055 3.916 3.960 0.018 0.000 0.217 530 G HA3 -0.055 3.916 3.960 0.018 0.000 0.217 530 G C 1.789 176.605 174.900 -0.139 0.000 1.158 530 G CA 0.901 45.988 45.100 -0.023 0.000 0.771 530 G HN 0.582 nan 8.290 nan 0.000 0.545 531 A N -0.029 122.746 122.820 -0.075 0.000 2.015 531 A HA 0.152 4.483 4.320 0.018 0.000 0.219 531 A C 2.098 179.592 177.584 -0.150 0.000 1.163 531 A CA 1.351 53.320 52.037 -0.114 0.000 0.646 531 A CB -0.411 18.578 19.000 -0.018 0.000 0.806 531 A HN 0.382 nan 8.150 nan 0.000 0.448 532 F N 0.577 120.399 119.950 -0.213 0.000 2.187 532 F HA -0.011 4.527 4.527 0.018 0.000 0.295 532 F C 2.261 177.882 175.800 -0.298 0.000 1.091 532 F CA 1.480 59.349 58.000 -0.219 0.000 1.308 532 F CB -0.282 38.643 39.000 -0.125 0.000 1.030 532 F HN 0.234 nan 8.300 nan 0.000 0.487 533 R N -0.193 119.986 120.500 -0.536 0.000 2.105 533 R HA -0.236 4.115 4.340 0.018 0.000 0.239 533 R C 2.538 178.333 176.300 -0.843 0.000 1.135 533 R CA 1.814 57.367 56.100 -0.911 0.000 0.967 533 R CB -1.348 28.151 30.300 -1.334 0.000 0.861 533 R HN 0.524 nan 8.270 nan 0.000 0.442 534 c N 0.408 118.335 118.600 -1.122 0.000 2.403 534 c HA -0.108 4.473 4.570 0.018 0.000 0.279 534 c C 2.416 176.135 174.090 -0.618 0.000 1.269 534 c CA 1.087 56.619 56.329 -1.329 0.000 1.774 534 c CB -1.039 40.842 42.510 -1.048 0.000 1.993 534 c HN 0.704 nan 8.230 nan 0.000 0.496 535 L N 1.197 122.116 121.223 -0.507 0.000 2.168 535 L HA 0.323 4.674 4.340 0.018 0.000 0.203 535 L C 2.650 179.374 176.870 -0.243 0.000 1.078 535 L CA 1.948 56.590 54.840 -0.331 0.000 0.780 535 L CB -0.824 41.052 42.059 -0.305 0.000 0.939 535 L HN 0.235 nan 8.230 nan 0.000 0.451 536 A N -0.409 122.189 122.820 -0.369 0.000 1.940 536 A HA -0.224 4.107 4.320 0.018 0.000 0.219 536 A C 2.007 179.580 177.584 -0.019 0.000 1.176 536 A CA 1.948 53.917 52.037 -0.113 0.000 0.631 536 A CB -0.645 18.295 19.000 -0.099 0.000 0.814 536 A HN 0.627 nan 8.150 nan 0.000 0.446 537 E N -0.114 120.041 120.200 -0.076 0.000 2.494 537 E HA 0.008 4.369 4.350 0.018 0.000 0.193 537 E C -0.439 176.157 176.600 -0.006 0.000 1.074 537 E CA -0.012 56.390 56.400 0.004 0.000 0.867 537 E CB -0.071 29.658 29.700 0.049 0.000 0.924 537 E HN 0.562 nan 8.360 nan 0.000 0.502 538 N N -0.792 117.881 118.700 -0.045 0.000 2.776 538 N HA -0.234 4.517 4.740 0.018 0.000 0.249 538 N C 0.463 175.960 175.510 -0.023 0.000 1.111 538 N CA 0.730 53.761 53.050 -0.032 0.000 0.711 538 N CB -1.345 37.137 38.487 -0.007 0.000 1.065 538 N HN 0.315 nan 8.380 nan 0.000 0.556 539 A N -0.484 122.309 122.820 -0.044 0.000 1.878 539 A HA 0.407 4.738 4.320 0.018 0.000 0.213 539 A C 1.337 178.905 177.584 -0.027 0.000 1.192 539 A CA 1.707 53.745 52.037 0.001 0.000 0.619 539 A CB -0.096 18.944 19.000 0.066 0.000 0.837 539 A HN 0.455 nan 8.150 nan 0.000 0.446 540 G N -1.772 106.970 108.800 -0.096 0.000 2.820 540 G HA2 0.471 4.442 3.960 0.018 0.000 0.291 540 G HA3 0.471 4.442 3.960 0.018 0.000 0.291 540 G C -0.639 174.195 174.900 -0.109 0.000 1.323 540 G CA 0.040 45.075 45.100 -0.109 0.000 1.055 540 G HN 0.053 nan 8.290 nan 0.000 0.520 541 D N -1.338 118.992 120.400 -0.117 0.000 2.441 541 D HA 0.160 4.811 4.640 0.018 0.000 0.210 541 D C -0.065 176.159 176.300 -0.125 0.000 1.102 541 D CA 0.334 54.283 54.000 -0.084 0.000 0.840 541 D CB 1.856 42.635 40.800 -0.035 0.000 0.990 541 D HN 0.161 nan 8.370 nan 0.000 0.505 542 V N 0.511 120.274 119.914 -0.250 0.000 2.817 542 V HA 0.668 4.799 4.120 0.018 0.000 0.303 542 V C -1.800 173.922 176.094 -0.619 0.000 1.151 542 V CA -0.748 61.317 62.300 -0.392 0.000 0.929 542 V CB 1.849 33.406 31.823 -0.442 0.000 1.030 542 V HN 0.055 nan 8.190 nan 0.000 0.427 543 A N 6.312 128.826 122.820 -0.510 0.000 2.303 543 A HA 0.859 5.190 4.320 0.018 0.000 0.320 543 A C -1.112 176.220 177.584 -0.419 0.000 1.192 543 A CA -0.367 51.407 52.037 -0.438 0.000 0.821 543 A CB 0.664 19.556 19.000 -0.181 0.000 1.188 543 A HN 0.763 nan 8.150 nan 0.000 0.492 544 F N 3.192 123.095 119.950 -0.079 0.000 2.368 544 F HA 0.462 5.001 4.527 0.020 0.000 0.362 544 F C 0.771 176.626 175.800 0.092 0.000 1.137 544 F CA -0.091 57.923 58.000 0.023 0.000 1.161 544 F CB 0.852 39.873 39.000 0.034 0.000 1.265 544 F HN 0.528 nan 8.300 nan 0.000 0.530 545 V N 0.129 120.196 119.914 0.255 0.000 3.247 545 V HA 0.662 4.793 4.120 0.018 0.000 0.310 545 V C -0.829 175.394 176.094 0.215 0.000 1.409 545 V CA -1.346 61.117 62.300 0.272 0.000 1.013 545 V CB 1.871 33.804 31.823 0.183 0.000 1.118 545 V HN 0.463 nan 8.190 nan 0.000 0.480 546 K N -0.149 120.308 120.400 0.094 0.000 2.258 546 K HA 0.504 4.835 4.320 0.018 0.000 0.236 546 K C 0.261 176.785 176.600 -0.128 0.000 1.008 546 K CA 0.136 56.409 56.287 -0.023 0.000 0.869 546 K CB 1.743 34.165 32.500 -0.131 0.000 1.171 546 K HN 0.722 nan 8.250 nan 0.000 0.447 547 D N 0.943 121.270 120.400 -0.121 0.000 2.149 547 D HA -0.173 4.478 4.640 0.018 0.000 0.201 547 D C 1.789 177.965 176.300 -0.207 0.000 0.972 547 D CA 1.563 55.481 54.000 -0.136 0.000 0.835 547 D CB -0.745 40.003 40.800 -0.086 0.000 0.966 547 D HN 0.375 nan 8.370 nan 0.000 0.476 548 V N -0.568 119.200 119.914 -0.243 0.000 2.594 548 V HA -0.183 3.948 4.120 0.018 0.000 0.253 548 V C 2.173 178.080 176.094 -0.311 0.000 1.069 548 V CA 2.024 64.166 62.300 -0.264 0.000 1.082 548 V CB -1.461 30.187 31.823 -0.292 0.000 0.680 548 V HN 0.088 nan 8.190 nan 0.000 0.469 549 T N 1.146 115.483 114.554 -0.361 0.000 2.699 549 T HA -0.171 4.190 4.350 0.018 0.000 0.268 549 T C 1.928 176.312 174.700 -0.526 0.000 1.036 549 T CA 2.107 63.986 62.100 -0.367 0.000 1.147 549 T CB -0.436 68.257 68.868 -0.292 0.000 0.862 549 T HN 0.485 nan 8.240 nan 0.000 0.446 550 V N 1.021 120.567 119.914 -0.614 0.000 2.323 550 V HA -0.076 4.055 4.120 0.018 0.000 0.244 550 V C 2.421 178.232 176.094 -0.471 0.000 1.041 550 V CA 1.099 62.885 62.300 -0.857 0.000 1.025 550 V CB -0.726 30.731 31.823 -0.610 0.000 0.656 550 V HN 0.293 nan 8.190 nan 0.000 0.451 551 L N 0.022 121.069 121.223 -0.294 0.000 2.043 551 L HA -0.230 4.122 4.340 0.018 0.000 0.212 551 L C 2.535 179.303 176.870 -0.169 0.000 1.075 551 L CA 1.884 56.615 54.840 -0.182 0.000 0.752 551 L CB -1.073 40.898 42.059 -0.148 0.000 0.891 551 L HN 0.383 nan 8.230 nan 0.000 0.432 552 Q N -1.077 118.603 119.800 -0.200 0.000 2.369 552 Q HA -0.048 4.303 4.340 0.018 0.000 0.206 552 Q C 0.807 176.732 176.000 -0.124 0.000 0.963 552 Q CA 0.646 56.360 55.803 -0.148 0.000 0.894 552 Q CB 0.038 28.687 28.738 -0.148 0.000 0.965 552 Q HN 0.534 nan 8.270 nan 0.000 0.475 553 N N 0.490 119.088 118.700 -0.169 0.000 2.200 553 N HA 0.046 4.797 4.740 0.018 0.000 0.224 553 N C -0.352 175.137 175.510 -0.035 0.000 1.179 553 N CA 0.322 53.323 53.050 -0.082 0.000 0.877 553 N CB 1.232 39.745 38.487 0.044 0.000 1.072 553 N HN 0.196 nan 8.380 nan 0.000 0.519 554 T N -3.265 111.259 114.554 -0.050 0.000 2.838 554 T HA 0.357 4.718 4.350 0.018 0.000 0.292 554 T C -0.650 174.051 174.700 0.002 0.000 1.113 554 T CA -0.484 61.636 62.100 0.033 0.000 1.008 554 T CB 2.106 71.044 68.868 0.116 0.000 1.259 554 T HN -0.128 nan 8.240 nan 0.000 0.520 555 D N 0.041 120.458 120.400 0.028 0.000 2.723 555 D HA -0.100 4.551 4.640 0.018 0.000 0.236 555 D C 1.216 177.505 176.300 -0.017 0.000 1.138 555 D CA 2.039 56.044 54.000 0.008 0.000 0.676 555 D CB -1.670 39.133 40.800 0.006 0.000 1.069 555 D HN 1.709 nan 8.370 nan 0.000 0.430 556 G N -0.188 108.593 108.800 -0.031 0.000 2.168 556 G HA2 -0.427 3.544 3.960 0.018 0.000 0.257 556 G HA3 -0.427 3.544 3.960 0.018 0.000 0.257 556 G C 0.985 175.852 174.900 -0.055 0.000 0.997 556 G CA 0.530 45.602 45.100 -0.047 0.000 0.708 556 G HN 0.457 nan 8.290 nan 0.000 0.520 557 N N 0.211 118.875 118.700 -0.060 0.000 2.463 557 N HA 0.022 4.773 4.740 0.018 0.000 0.181 557 N C 0.414 175.878 175.510 -0.076 0.000 1.078 557 N CA 0.580 53.592 53.050 -0.062 0.000 0.902 557 N CB 0.075 38.524 38.487 -0.063 0.000 0.970 557 N HN 0.523 nan 8.380 nan 0.000 0.451 558 N N 0.574 119.208 118.700 -0.110 0.000 2.540 558 N HA 0.054 4.805 4.740 0.018 0.000 0.275 558 N C -0.407 174.988 175.510 -0.192 0.000 1.053 558 N CA -0.355 52.605 53.050 -0.150 0.000 0.876 558 N CB 0.487 38.847 38.487 -0.211 0.000 1.284 558 N HN 0.010 nan 8.380 nan 0.000 0.518 559 N N 1.838 120.458 118.700 -0.133 0.000 2.370 559 N HA 0.012 4.763 4.740 0.018 0.000 0.198 559 N C -0.211 175.216 175.510 -0.138 0.000 1.156 559 N CA 0.002 52.980 53.050 -0.120 0.000 0.839 559 N CB 0.241 38.688 38.487 -0.068 0.000 0.989 559 N HN 0.484 nan 8.380 nan 0.000 0.468 560 E N -0.269 119.808 120.200 -0.206 0.000 2.398 560 E HA 0.110 4.471 4.350 0.018 0.000 0.263 560 E C 0.934 177.359 176.600 -0.292 0.000 1.046 560 E CA 0.132 56.409 56.400 -0.204 0.000 0.908 560 E CB 0.865 30.449 29.700 -0.194 0.000 0.963 560 E HN 0.437 nan 8.360 nan 0.000 0.431 561 A N 5.542 128.301 122.820 -0.101 0.000 1.859 561 A HA -0.213 4.118 4.320 0.018 0.000 0.218 561 A C 1.841 179.403 177.584 -0.036 0.000 1.209 561 A CA 2.103 54.126 52.037 -0.023 0.000 0.639 561 A CB -1.117 17.935 19.000 0.088 0.000 0.835 561 A HN 0.968 nan 8.150 nan 0.000 0.450 562 W N -1.484 119.851 121.300 0.058 0.000 2.424 562 W HA 0.166 4.837 4.660 0.019 0.000 0.264 562 W C 1.355 177.913 176.519 0.065 0.000 1.229 562 W CA 1.219 58.600 57.345 0.060 0.000 1.208 562 W CB -0.664 28.840 29.460 0.072 0.000 1.127 562 W HN 0.458 nan 8.180 nan 0.000 0.588 563 A N 1.111 123.500 122.820 -0.718 0.000 2.456 563 A HA 0.085 4.416 4.320 0.018 0.000 0.237 563 A C 1.946 179.335 177.584 -0.326 0.000 1.217 563 A CA 0.340 51.973 52.037 -0.674 0.000 0.962 563 A CB -0.266 17.820 19.000 -1.523 0.000 1.079 563 A HN 0.251 nan 8.150 nan 0.000 0.536 564 K N 0.067 120.314 120.400 -0.256 0.000 2.281 564 K HA -0.124 4.207 4.320 0.018 0.000 0.203 564 K C 0.279 176.834 176.600 -0.075 0.000 1.046 564 K CA 1.955 58.152 56.287 -0.150 0.000 0.938 564 K CB -0.084 32.353 32.500 -0.104 0.000 0.737 564 K HN 0.261 nan 8.250 nan 0.000 0.458 565 D N 0.369 120.745 120.400 -0.040 0.000 2.433 565 D HA 0.125 4.776 4.640 0.018 0.000 0.211 565 D C 0.029 176.351 176.300 0.037 0.000 1.114 565 D CA -0.140 53.860 54.000 -0.000 0.000 0.837 565 D CB 0.335 41.140 40.800 0.009 0.000 0.984 565 D HN 0.149 nan 8.370 nan 0.000 0.505 566 L N 2.094 123.357 121.223 0.067 0.000 2.559 566 L HA 0.006 4.357 4.340 0.018 0.000 0.274 566 L C 0.679 177.655 176.870 0.178 0.000 1.205 566 L CA 0.593 55.545 54.840 0.187 0.000 0.907 566 L CB 0.325 42.560 42.059 0.294 0.000 1.153 566 L HN -0.351 nan 8.230 nan 0.000 0.490 567 K N 3.881 124.396 120.400 0.191 0.000 2.182 567 K HA 0.164 4.495 4.320 0.018 0.000 0.262 567 K C 0.615 177.364 176.600 0.247 0.000 0.957 567 K CA -0.827 55.549 56.287 0.148 0.000 0.842 567 K CB 2.417 34.956 32.500 0.066 0.000 1.099 567 K HN 0.364 nan 8.250 nan 0.000 0.438 568 L N 3.094 124.434 121.223 0.195 0.000 2.189 568 L HA -0.215 4.136 4.340 0.018 0.000 0.214 568 L C 1.852 178.854 176.870 0.220 0.000 1.097 568 L CA 2.086 57.059 54.840 0.222 0.000 0.764 568 L CB -0.457 41.659 42.059 0.096 0.000 0.900 568 L HN 0.843 nan 8.230 nan 0.000 0.436 569 A N -1.389 121.501 122.820 0.117 0.000 2.119 569 A HA -0.118 4.213 4.320 0.018 0.000 0.217 569 A C 1.645 179.226 177.584 -0.005 0.000 1.153 569 A CA 1.303 53.373 52.037 0.055 0.000 0.692 569 A CB -0.574 18.439 19.000 0.022 0.000 0.799 569 A HN 0.515 nan 8.150 nan 0.000 0.458 570 D N -1.191 119.163 120.400 -0.078 0.000 2.336 570 D HA 0.201 4.852 4.640 0.018 0.000 0.229 570 D C -0.517 175.376 176.300 -0.678 0.000 1.061 570 D CA 0.564 54.323 54.000 -0.402 0.000 0.875 570 D CB -0.066 40.388 40.800 -0.577 0.000 0.904 570 D HN 0.411 nan 8.370 nan 0.000 0.525 571 F N -0.113 119.879 119.950 0.070 0.000 2.603 571 F HA 0.668 5.206 4.527 0.018 0.000 0.317 571 F C -0.005 175.829 175.800 0.057 0.000 1.066 571 F CA -1.292 56.758 58.000 0.084 0.000 0.941 571 F CB 1.679 40.779 39.000 0.166 0.000 1.291 571 F HN -0.282 nan 8.300 nan 0.000 0.472 572 A N 1.416 124.385 122.820 0.249 0.000 2.587 572 A HA 0.855 5.186 4.320 0.018 0.000 0.293 572 A C -1.724 175.937 177.584 0.129 0.000 1.087 572 A CA -0.752 51.371 52.037 0.143 0.000 0.692 572 A CB 1.405 20.458 19.000 0.089 0.000 1.291 572 A HN 0.712 nan 8.150 nan 0.000 0.407 573 L N 0.922 122.199 121.223 0.089 0.000 2.357 573 L HA 0.457 4.808 4.340 0.018 0.000 0.273 573 L C -0.878 176.036 176.870 0.072 0.000 1.080 573 L CA -0.967 53.916 54.840 0.073 0.000 0.803 573 L CB 0.938 43.027 42.059 0.050 0.000 1.174 573 L HN 0.474 nan 8.230 nan 0.000 0.443 574 L N 1.998 123.272 121.223 0.086 0.000 2.276 574 L HA 0.314 4.665 4.340 0.018 0.000 0.286 574 L C -0.253 176.632 176.870 0.024 0.000 1.061 574 L CA -0.115 54.792 54.840 0.111 0.000 0.807 574 L CB 0.894 43.097 42.059 0.239 0.000 1.177 574 L HN 0.648 nan 8.230 nan 0.000 0.429 575 c N 3.678 122.284 118.600 0.011 0.000 2.370 575 c HA 0.332 4.913 4.570 0.018 0.000 0.354 575 c C 2.081 176.112 174.090 -0.098 0.000 1.218 575 c CA -0.995 55.288 56.329 -0.077 0.000 2.154 575 c CB 0.794 43.270 42.510 -0.057 0.000 2.391 575 c HN 0.784 nan 8.230 nan 0.000 0.540 576 L N 1.511 122.591 121.223 -0.238 0.000 2.456 576 L HA -0.104 4.247 4.340 0.018 0.000 0.224 576 L C 1.872 178.727 176.870 -0.025 0.000 1.148 576 L CA 1.213 55.887 54.840 -0.277 0.000 0.825 576 L CB -0.440 41.415 42.059 -0.339 0.000 0.937 576 L HN 0.815 nan 8.230 nan 0.000 0.450 577 D N -0.999 119.389 120.400 -0.020 0.000 2.355 577 D HA 0.016 4.667 4.640 0.018 0.000 0.218 577 D C 1.556 177.891 176.300 0.060 0.000 1.004 577 D CA 0.836 54.847 54.000 0.018 0.000 0.880 577 D CB 0.161 40.955 40.800 -0.010 0.000 0.911 577 D HN 0.189 nan 8.370 nan 0.000 0.528 578 G N -0.625 108.234 108.800 0.097 0.000 2.194 578 G HA2 -0.274 3.697 3.960 0.018 0.000 0.236 578 G HA3 -0.274 3.697 3.960 0.018 0.000 0.236 578 G C 0.321 175.271 174.900 0.082 0.000 0.987 578 G CA 0.067 45.238 45.100 0.118 0.000 0.635 578 G HN 0.389 nan 8.290 nan 0.000 0.520 579 K N 0.528 120.960 120.400 0.053 0.000 2.118 579 K HA 0.776 5.107 4.320 0.018 0.000 0.240 579 K C 0.888 177.516 176.600 0.047 0.000 1.035 579 K CA -0.101 56.209 56.287 0.038 0.000 0.899 579 K CB 0.345 32.854 32.500 0.016 0.000 1.085 579 K HN 0.455 nan 8.250 nan 0.000 0.498 580 R N 0.828 121.352 120.500 0.039 0.000 2.628 580 R HA 0.487 4.838 4.340 0.018 0.000 0.288 580 R C -0.662 175.657 176.300 0.032 0.000 0.980 580 R CA -0.971 55.155 56.100 0.044 0.000 0.891 580 R CB 1.943 32.275 30.300 0.053 0.000 1.188 580 R HN 0.384 nan 8.270 nan 0.000 0.450 581 K N 1.774 122.193 120.400 0.033 0.000 2.443 581 K HA 0.492 4.823 4.320 0.018 0.000 0.251 581 K C -2.695 173.928 176.600 0.039 0.000 0.972 581 K CA -2.248 54.056 56.287 0.027 0.000 0.833 581 K CB 2.342 34.851 32.500 0.015 0.000 1.317 581 K HN 0.251 nan 8.250 nan 0.000 0.441 582 P HA -0.030 nan 4.420 nan 0.000 0.269 582 P C 0.847 178.172 177.300 0.042 0.000 1.215 582 P CA -0.242 62.885 63.100 0.044 0.000 0.780 582 P CB 0.528 32.247 31.700 0.032 0.000 0.898 583 V N 1.524 121.470 119.914 0.053 0.000 2.453 583 V HA -0.266 3.865 4.120 0.018 0.000 0.252 583 V C 2.154 178.253 176.094 0.009 0.000 1.068 583 V CA 2.774 65.091 62.300 0.030 0.000 1.070 583 V CB -1.955 29.879 31.823 0.017 0.000 0.664 583 V HN 0.729 nan 8.190 nan 0.000 0.461 584 T N -1.856 112.704 114.554 0.011 0.000 3.098 584 T HA -0.105 4.256 4.350 0.018 0.000 0.266 584 T C 1.072 175.776 174.700 0.006 0.000 1.145 584 T CA 1.054 63.155 62.100 0.001 0.000 1.092 584 T CB -0.283 68.586 68.868 0.002 0.000 0.908 584 T HN 0.644 nan 8.240 nan 0.000 0.526 585 E N 0.355 120.564 120.200 0.014 0.000 2.585 585 E HA 0.522 4.883 4.350 0.018 0.000 0.206 585 E C 1.724 178.343 176.600 0.032 0.000 1.007 585 E CA -0.146 56.264 56.400 0.017 0.000 1.028 585 E CB 0.263 29.970 29.700 0.012 0.000 1.087 585 E HN 0.544 nan 8.360 nan 0.000 0.455 586 A N 1.314 124.158 122.820 0.040 0.000 1.978 586 A HA -0.205 4.126 4.320 0.018 0.000 0.220 586 A C 2.025 179.729 177.584 0.200 0.000 1.170 586 A CA 1.054 53.142 52.037 0.084 0.000 0.636 586 A CB -0.191 18.835 19.000 0.043 0.000 0.810 586 A HN 0.152 nan 8.150 nan 0.000 0.448 587 R N 0.079 120.658 120.500 0.131 0.000 2.193 587 R HA -0.097 4.254 4.340 0.018 0.000 0.229 587 R C 1.710 178.111 176.300 0.169 0.000 1.110 587 R CA 1.514 57.721 56.100 0.178 0.000 0.988 587 R CB -0.267 30.075 30.300 0.069 0.000 0.871 587 R HN 0.704 nan 8.270 nan 0.000 0.458 588 S N -1.996 113.736 115.700 0.053 0.000 2.593 588 S HA 0.089 4.570 4.470 0.018 0.000 0.236 588 S C 0.360 174.887 174.600 -0.121 0.000 0.991 588 S CA -0.708 57.465 58.200 -0.046 0.000 0.963 588 S CB 0.303 63.488 63.200 -0.025 0.000 0.865 588 S HN 0.263 nan 8.310 nan 0.000 0.488 589 c N 3.796 122.327 118.600 -0.116 0.000 3.355 589 c HA 0.517 5.098 4.570 0.018 0.000 0.287 589 c C -0.804 173.236 174.090 -0.083 0.000 1.036 589 c CA -0.377 55.872 56.329 -0.133 0.000 1.246 589 c CB -0.914 41.569 42.510 -0.045 0.000 1.754 589 c HN 0.779 nan 8.230 nan 0.000 0.592 590 H N 1.585 120.605 119.070 -0.083 0.000 2.985 590 H HA 0.430 4.996 4.556 0.018 0.000 0.360 590 H C -0.053 175.186 175.328 -0.147 0.000 1.221 590 H CA -0.831 55.160 56.048 -0.095 0.000 1.121 590 H CB 0.873 30.591 29.762 -0.073 0.000 1.854 590 H HN 0.285 nan 8.280 nan 0.000 0.551 591 L N 0.233 121.452 121.223 -0.007 0.000 2.131 591 L HA 0.305 4.656 4.340 0.018 0.000 0.206 591 L C 1.037 177.894 176.870 -0.022 0.000 1.087 591 L CA 1.378 56.136 54.840 -0.137 0.000 0.767 591 L CB -0.218 41.741 42.059 -0.166 0.000 0.917 591 L HN 0.787 nan 8.230 nan 0.000 0.441 592 A N -1.336 121.543 122.820 0.097 0.000 2.515 592 A HA 0.547 4.878 4.320 0.018 0.000 0.292 592 A C -1.313 176.215 177.584 -0.093 0.000 1.065 592 A CA -0.639 51.424 52.037 0.043 0.000 0.641 592 A CB 0.996 19.965 19.000 -0.052 0.000 1.306 592 A HN -0.114 nan 8.150 nan 0.000 0.441 593 M N 1.219 120.716 119.600 -0.172 0.000 2.157 593 M HA 0.563 5.054 4.480 0.018 0.000 0.354 593 M C 0.261 176.315 176.300 -0.410 0.000 1.170 593 M CA -0.184 54.934 55.300 -0.302 0.000 1.060 593 M CB 0.929 33.391 32.600 -0.230 0.000 1.615 593 M HN 1.060 nan 8.290 nan 0.000 0.460 594 A N 7.218 129.668 122.820 -0.617 0.000 2.312 594 A HA 0.817 5.148 4.320 0.018 0.000 0.326 594 A C -2.441 174.764 177.584 -0.632 0.000 1.172 594 A CA -1.471 50.085 52.037 -0.802 0.000 0.821 594 A CB 0.318 18.576 19.000 -1.236 0.000 1.166 594 A HN 0.477 nan 8.150 nan 0.000 0.493 595 P HA 0.080 nan 4.420 nan 0.000 0.271 595 P C -0.588 176.869 177.300 0.261 0.000 1.216 595 P CA -0.227 62.796 63.100 -0.129 0.000 0.771 595 P CB 0.349 31.962 31.700 -0.145 0.000 0.864 596 N N 1.163 120.087 118.700 0.373 0.000 2.329 596 N HA -0.053 4.698 4.740 0.018 0.000 0.237 596 N C 0.461 176.411 175.510 0.734 0.000 1.258 596 N CA 0.453 53.874 53.050 0.618 0.000 0.866 596 N CB -0.373 38.288 38.487 0.289 0.000 1.102 596 N HN 0.457 nan 8.380 nan 0.000 0.440 597 H N -0.164 119.221 119.070 0.525 0.000 2.871 597 H HA 0.370 4.937 4.556 0.019 0.000 0.355 597 H C -0.216 175.288 175.328 0.294 0.000 1.092 597 H CA -0.413 55.877 56.048 0.404 0.000 1.420 597 H CB 0.592 30.582 29.762 0.379 0.000 1.400 597 H HN 0.560 nan 8.280 nan 0.000 0.604 598 A N 2.603 125.612 122.820 0.315 0.000 2.475 598 A HA 0.416 4.747 4.320 0.018 0.000 0.301 598 A C -0.754 176.904 177.584 0.123 0.000 1.059 598 A CA -0.719 51.394 52.037 0.126 0.000 0.710 598 A CB 1.331 20.211 19.000 -0.199 0.000 1.288 598 A HN 0.453 nan 8.150 nan 0.000 0.408 599 V N 2.088 122.084 119.914 0.138 0.000 2.508 599 V HA 0.418 4.549 4.120 0.018 0.000 0.281 599 V C 0.466 176.565 176.094 0.008 0.000 1.041 599 V CA 0.018 62.391 62.300 0.123 0.000 1.016 599 V CB 0.757 32.744 31.823 0.274 0.000 0.984 599 V HN 1.035 nan 8.190 nan 0.000 0.478 600 V N 2.618 122.501 119.914 -0.052 0.000 2.815 600 V HA 0.998 5.129 4.120 0.018 0.000 0.314 600 V C -0.270 175.770 176.094 -0.090 0.000 1.064 600 V CA -0.214 62.048 62.300 -0.063 0.000 0.952 600 V CB 1.976 33.765 31.823 -0.058 0.000 1.020 600 V HN 0.818 nan 8.190 nan 0.000 0.439 601 S N 1.333 116.999 115.700 -0.057 0.000 2.672 601 S HA 0.583 5.064 4.470 0.018 0.000 0.271 601 S C -0.640 173.941 174.600 -0.033 0.000 1.171 601 S CA -1.004 57.162 58.200 -0.056 0.000 0.817 601 S CB 1.944 65.125 63.200 -0.032 0.000 1.150 601 S HN 0.965 nan 8.310 nan 0.000 0.478 602 R N 0.862 121.346 120.500 -0.026 0.000 2.641 602 R HA 0.269 4.620 4.340 0.018 0.000 0.269 602 R C 1.357 177.657 176.300 -0.000 0.000 1.074 602 R CA -0.101 55.992 56.100 -0.012 0.000 1.133 602 R CB 0.186 30.483 30.300 -0.005 0.000 1.029 602 R HN 0.679 nan 8.270 nan 0.000 0.488 603 M N 1.456 121.058 119.600 0.004 0.000 2.279 603 M HA -0.192 4.299 4.480 0.018 0.000 0.264 603 M C 0.978 177.285 176.300 0.012 0.000 1.062 603 M CA 1.992 57.298 55.300 0.010 0.000 1.099 603 M CB -0.165 32.442 32.600 0.011 0.000 1.394 603 M HN 0.653 nan 8.290 nan 0.000 0.426 604 D N -1.122 119.285 120.400 0.011 0.000 2.317 604 D HA -0.165 4.486 4.640 0.018 0.000 0.211 604 D C 1.694 178.002 176.300 0.014 0.000 0.966 604 D CA 0.809 54.816 54.000 0.012 0.000 0.876 604 D CB -0.029 40.778 40.800 0.011 0.000 0.927 604 D HN 0.065 nan 8.370 nan 0.000 0.519 605 K N 0.091 120.500 120.400 0.015 0.000 2.358 605 K HA 0.210 4.541 4.320 0.018 0.000 0.200 605 K C 1.357 177.976 176.600 0.032 0.000 1.030 605 K CA 0.020 56.320 56.287 0.022 0.000 1.097 605 K CB 0.128 32.639 32.500 0.019 0.000 0.862 605 K HN 0.052 nan 8.250 nan 0.000 0.534 606 V N 1.347 121.278 119.914 0.028 0.000 2.255 606 V HA -0.245 3.886 4.120 0.018 0.000 0.247 606 V C 1.953 178.073 176.094 0.042 0.000 1.051 606 V CA 1.944 64.265 62.300 0.035 0.000 1.018 606 V CB -0.268 31.571 31.823 0.027 0.000 0.641 606 V HN 0.359 nan 8.190 nan 0.000 0.445 607 E N -0.092 120.128 120.200 0.034 0.000 2.047 607 E HA -0.218 4.143 4.350 0.018 0.000 0.191 607 E C 2.325 178.950 176.600 0.041 0.000 0.987 607 E CA 1.209 57.629 56.400 0.033 0.000 0.799 607 E CB -0.452 29.261 29.700 0.022 0.000 0.752 607 E HN 0.363 nan 8.360 nan 0.000 0.449 608 R N 1.311 121.834 120.500 0.039 0.000 2.080 608 R HA -0.134 4.217 4.340 0.018 0.000 0.236 608 R C 2.351 178.695 176.300 0.074 0.000 1.137 608 R CA 1.055 57.181 56.100 0.044 0.000 0.943 608 R CB -1.109 29.212 30.300 0.034 0.000 0.846 608 R HN 0.195 nan 8.270 nan 0.000 0.431 609 L N 0.950 122.226 121.223 0.090 0.000 2.013 609 L HA -0.173 4.178 4.340 0.018 0.000 0.212 609 L C 2.163 179.128 176.870 0.158 0.000 1.073 609 L CA 2.186 57.111 54.840 0.142 0.000 0.753 609 L CB -0.701 41.440 42.059 0.138 0.000 0.890 609 L HN 0.220 nan 8.230 nan 0.000 0.432 610 K N -0.861 119.608 120.400 0.116 0.000 2.032 610 K HA -0.249 4.082 4.320 0.018 0.000 0.209 610 K C 2.138 178.803 176.600 0.108 0.000 1.048 610 K CA 2.050 58.401 56.287 0.108 0.000 0.927 610 K CB -0.162 32.380 32.500 0.070 0.000 0.712 610 K HN 0.714 nan 8.250 nan 0.000 0.441 611 Q N -0.417 119.435 119.800 0.087 0.000 2.050 611 Q HA -0.134 4.217 4.340 0.018 0.000 0.202 611 Q C 1.999 178.070 176.000 0.118 0.000 0.980 611 Q CA 1.687 57.538 55.803 0.079 0.000 0.840 611 Q CB -0.484 28.280 28.738 0.043 0.000 0.898 611 Q HN 0.066 nan 8.270 nan 0.000 0.424 612 V N 1.785 121.778 119.914 0.132 0.000 2.255 612 V HA -0.265 3.866 4.120 0.018 0.000 0.247 612 V C 2.426 178.672 176.094 0.252 0.000 1.051 612 V CA 1.693 64.103 62.300 0.183 0.000 1.018 612 V CB -0.622 31.298 31.823 0.163 0.000 0.641 612 V HN 0.351 nan 8.190 nan 0.000 0.445 613 L N -0.870 120.507 121.223 0.257 0.000 2.017 613 L HA -0.203 4.148 4.340 0.018 0.000 0.208 613 L C 2.463 179.439 176.870 0.177 0.000 1.073 613 L CA 1.609 56.617 54.840 0.280 0.000 0.745 613 L CB -0.501 41.752 42.059 0.322 0.000 0.894 613 L HN 0.332 nan 8.230 nan 0.000 0.432 614 L N -0.951 120.359 121.223 0.146 0.000 1.990 614 L HA -0.330 4.021 4.340 0.018 0.000 0.213 614 L C 2.737 179.652 176.870 0.076 0.000 1.072 614 L CA 1.738 56.634 54.840 0.093 0.000 0.755 614 L CB -1.076 41.033 42.059 0.083 0.000 0.889 614 L HN 0.472 nan 8.230 nan 0.000 0.432 615 H N 0.113 119.195 119.070 0.019 0.000 2.265 615 H HA -0.208 4.359 4.556 0.018 0.000 0.295 615 H C 2.209 177.499 175.328 -0.063 0.000 1.084 615 H CA 1.872 57.908 56.048 -0.019 0.000 1.261 615 H CB 0.126 29.885 29.762 -0.005 0.000 1.360 615 H HN 0.346 nan 8.280 nan 0.000 0.487 616 Q N 0.407 120.110 119.800 -0.161 0.000 2.135 616 Q HA -0.205 4.146 4.340 0.018 0.000 0.204 616 Q C 2.468 178.286 176.000 -0.304 0.000 0.981 616 Q CA 1.947 57.617 55.803 -0.223 0.000 0.856 616 Q CB -0.403 28.515 28.738 0.300 0.000 0.902 616 Q HN 0.811 nan 8.270 nan 0.000 0.425 617 Q N -0.807 118.881 119.800 -0.186 0.000 2.378 617 Q HA 0.107 4.458 4.340 0.018 0.000 0.205 617 Q C 1.697 177.558 176.000 -0.232 0.000 0.954 617 Q CA 0.950 56.611 55.803 -0.237 0.000 0.901 617 Q CB -0.061 28.616 28.738 -0.101 0.000 0.981 617 Q HN 0.213 nan 8.270 nan 0.000 0.483 618 A N 1.154 123.833 122.820 -0.236 0.000 2.014 618 A HA -0.062 4.269 4.320 0.018 0.000 0.218 618 A C 1.939 179.346 177.584 -0.294 0.000 1.163 618 A CA 1.123 53.035 52.037 -0.208 0.000 0.652 618 A CB -0.115 18.794 19.000 -0.152 0.000 0.808 618 A HN 0.301 nan 8.150 nan 0.000 0.449 619 K N -1.787 118.304 120.400 -0.515 0.000 2.141 619 K HA 0.118 4.449 4.320 0.018 0.000 0.202 619 K C 0.275 176.572 176.600 -0.504 0.000 1.045 619 K CA 0.960 56.837 56.287 -0.684 0.000 0.971 619 K CB 0.051 31.758 32.500 -1.322 0.000 0.795 619 K HN 0.465 nan 8.250 nan 0.000 0.459 620 F N -0.048 119.773 119.950 -0.215 0.000 2.688 620 F HA 0.299 4.837 4.527 0.018 0.000 0.310 620 F C 1.110 176.599 175.800 -0.519 0.000 1.098 620 F CA -0.872 56.944 58.000 -0.308 0.000 1.228 620 F CB -0.201 38.650 39.000 -0.248 0.000 1.042 620 F HN -0.084 nan 8.300 nan 0.000 0.557 621 G N 0.157 108.749 108.800 -0.346 0.000 2.486 621 G HA2 0.084 4.055 3.960 0.018 0.000 0.272 621 G HA3 0.084 4.055 3.960 0.018 0.000 0.272 621 G C 1.299 176.066 174.900 -0.221 0.000 1.426 621 G CA -0.324 44.518 45.100 -0.430 0.000 1.058 621 G HN 0.029 nan 8.290 nan 0.000 0.531 622 R N 0.087 120.567 120.500 -0.032 0.000 2.082 622 R HA -0.109 4.242 4.340 0.018 0.000 0.234 622 R C 1.171 177.454 176.300 -0.028 0.000 1.136 622 R CA 1.796 57.907 56.100 0.018 0.000 0.935 622 R CB -0.602 29.745 30.300 0.079 0.000 0.842 622 R HN 0.717 nan 8.270 nan 0.000 0.430 623 N N -0.267 118.416 118.700 -0.028 0.000 2.920 623 N HA 0.195 4.946 4.740 0.018 0.000 0.310 623 N C -0.219 175.257 175.510 -0.057 0.000 1.384 623 N CA -0.269 52.759 53.050 -0.036 0.000 1.083 623 N CB 1.136 39.608 38.487 -0.024 0.000 1.389 623 N HN 0.058 nan 8.380 nan 0.000 0.521 624 G N -0.138 108.614 108.800 -0.080 0.000 2.390 624 G HA2 0.190 4.161 3.960 0.018 0.000 0.270 624 G HA3 0.190 4.161 3.960 0.018 0.000 0.270 624 G C 1.032 175.896 174.900 -0.060 0.000 1.211 624 G CA -0.549 44.489 45.100 -0.102 0.000 0.842 624 G HN 0.333 nan 8.290 nan 0.000 0.519 625 S N 1.481 117.138 115.700 -0.072 0.000 2.374 625 S HA -0.182 4.299 4.470 0.018 0.000 0.227 625 S C 1.219 175.829 174.600 0.016 0.000 1.037 625 S CA 1.861 60.041 58.200 -0.034 0.000 1.024 625 S CB -0.117 63.055 63.200 -0.047 0.000 0.861 625 S HN 0.455 nan 8.310 nan 0.000 0.456 626 D N 0.159 120.600 120.400 0.069 0.000 2.328 626 D HA 0.250 4.901 4.640 0.018 0.000 0.221 626 D C -0.078 176.328 176.300 0.176 0.000 1.072 626 D CA -0.034 54.083 54.000 0.194 0.000 0.850 626 D CB 0.340 41.415 40.800 0.458 0.000 0.922 626 D HN 0.462 nan 8.370 nan 0.000 0.516 627 c N 1.998 120.648 118.600 0.083 0.000 2.322 627 c HA 0.517 5.098 4.570 0.018 0.000 0.324 627 c C -1.820 172.258 174.090 -0.020 0.000 1.284 627 c CA -1.780 54.547 56.329 -0.003 0.000 1.606 627 c CB 0.961 43.425 42.510 -0.077 0.000 2.251 627 c HN 0.107 nan 8.230 nan 0.000 0.502 628 P HA 0.183 nan 4.420 nan 0.000 0.266 628 P C 0.691 177.987 177.300 -0.006 0.000 1.381 628 P CA 0.368 63.447 63.100 -0.035 0.000 0.940 628 P CB 0.238 31.915 31.700 -0.039 0.000 1.435 629 D N 1.064 121.473 120.400 0.016 0.000 2.106 629 D HA -0.161 4.490 4.640 0.018 0.000 0.191 629 D C 1.664 177.985 176.300 0.035 0.000 0.997 629 D CA 1.526 55.542 54.000 0.026 0.000 0.834 629 D CB 0.331 41.153 40.800 0.036 0.000 0.956 629 D HN 0.253 nan 8.370 nan 0.000 0.448 630 K N -2.069 118.367 120.400 0.059 0.000 2.266 630 K HA 0.139 4.470 4.320 0.018 0.000 0.209 630 K C -0.010 176.626 176.600 0.060 0.000 1.065 630 K CA -0.073 56.247 56.287 0.055 0.000 0.946 630 K CB 1.136 33.689 32.500 0.089 0.000 1.069 630 K HN -0.023 nan 8.250 nan 0.000 0.472 631 F N 0.020 119.851 119.950 -0.198 0.000 2.650 631 F HA 0.339 4.877 4.527 0.018 0.000 0.310 631 F C -1.926 173.732 175.800 -0.238 0.000 1.112 631 F CA -1.315 56.490 58.000 -0.325 0.000 0.986 631 F CB 1.261 39.867 39.000 -0.658 0.000 1.285 631 F HN -0.058 nan 8.300 nan 0.000 0.440 632 c N 6.725 124.715 118.600 -1.015 0.000 2.340 632 c HA 0.419 5.000 4.570 0.018 0.000 0.323 632 c C 1.583 174.844 174.090 -1.382 0.000 1.260 632 c CA -0.715 55.075 56.329 -0.899 0.000 1.464 632 c CB 0.665 42.896 42.510 -0.465 0.000 2.156 632 c HN 1.020 nan 8.230 nan 0.000 0.476 633 L N 1.294 121.768 121.223 -1.248 0.000 2.046 633 L HA -0.056 4.295 4.340 0.018 0.000 0.208 633 L C 1.061 177.505 176.870 -0.711 0.000 1.077 633 L CA 1.848 55.967 54.840 -1.202 0.000 0.747 633 L CB -0.139 41.011 42.059 -1.515 0.000 0.896 633 L HN 0.671 nan 8.230 nan 0.000 0.432 634 F N -0.788 118.929 119.950 -0.388 0.000 2.798 634 F HA 0.321 4.859 4.527 0.019 0.000 0.291 634 F C 0.390 176.102 175.800 -0.147 0.000 1.174 634 F CA -0.518 57.353 58.000 -0.216 0.000 1.392 634 F CB -0.476 38.399 39.000 -0.208 0.000 0.966 634 F HN 0.018 nan 8.300 nan 0.000 0.509 635 Q N -0.173 119.583 119.800 -0.074 0.000 2.375 635 Q HA 0.635 4.986 4.340 0.018 0.000 0.271 635 Q C 0.363 176.348 176.000 -0.024 0.000 1.074 635 Q CA -0.376 55.393 55.803 -0.056 0.000 0.808 635 Q CB 2.120 30.783 28.738 -0.125 0.000 1.327 635 Q HN 0.141 nan 8.270 nan 0.000 0.441 636 S N 0.429 116.144 115.700 0.024 0.000 2.389 636 S HA 0.191 4.672 4.470 0.018 0.000 0.261 636 S C -0.826 173.811 174.600 0.062 0.000 0.992 636 S CA -0.247 57.986 58.200 0.055 0.000 1.497 636 S CB 0.443 63.701 63.200 0.096 0.000 1.217 636 S HN 0.510 nan 8.310 nan 0.000 0.633 637 E N 1.862 122.092 120.200 0.050 0.000 2.513 637 E HA -0.074 4.287 4.350 0.018 0.000 0.220 637 E C 0.454 177.101 176.600 0.079 0.000 1.242 637 E CA 1.436 57.867 56.400 0.050 0.000 0.719 637 E CB -2.630 27.100 29.700 0.050 0.000 1.170 637 E HN 1.260 nan 8.360 nan 0.000 0.419 638 T N -3.344 111.254 114.554 0.074 0.000 6.387 638 T HA -0.361 4.000 4.350 0.018 0.000 0.290 638 T C 0.851 175.640 174.700 0.148 0.000 1.901 638 T CA 2.123 64.283 62.100 0.101 0.000 3.035 638 T CB -1.293 67.648 68.868 0.122 0.000 1.917 638 T HN 0.493 nan 8.240 nan 0.000 1.121 639 K N 0.915 121.400 120.400 0.142 0.000 2.361 639 K HA 0.183 4.514 4.320 0.018 0.000 0.194 639 K C 0.534 177.240 176.600 0.176 0.000 1.032 639 K CA 0.104 56.490 56.287 0.165 0.000 1.048 639 K CB 0.132 32.722 32.500 0.151 0.000 0.842 639 K HN 0.474 nan 8.250 nan 0.000 0.526 640 N N 1.695 120.493 118.700 0.164 0.000 2.688 640 N HA -0.182 4.569 4.740 0.018 0.000 0.258 640 N C -1.215 174.423 175.510 0.213 0.000 1.016 640 N CA 0.605 53.769 53.050 0.190 0.000 0.747 640 N CB -0.863 37.752 38.487 0.213 0.000 0.895 640 N HN 0.052 nan 8.380 nan 0.000 0.543 641 L N 1.158 122.499 121.223 0.197 0.000 2.265 641 L HA 0.345 4.696 4.340 0.018 0.000 0.288 641 L C 1.764 178.753 176.870 0.198 0.000 1.058 641 L CA 0.128 55.082 54.840 0.189 0.000 0.809 641 L CB 0.470 42.628 42.059 0.164 0.000 1.179 641 L HN 0.445 nan 8.230 nan 0.000 0.429 642 L N 1.725 123.044 121.223 0.159 0.000 3.015 642 L HA -0.349 4.002 4.340 0.018 0.000 0.389 642 L C -0.363 176.391 176.870 -0.193 0.000 0.737 642 L CA 1.363 56.218 54.840 0.025 0.000 3.213 642 L CB -1.040 41.009 42.059 -0.016 0.000 0.600 642 L HN 0.398 nan 8.230 nan 0.000 0.774 643 F N -0.748 119.361 119.950 0.265 0.000 2.629 643 F HA 0.453 4.991 4.527 0.018 0.000 0.316 643 F C 0.575 176.493 175.800 0.197 0.000 1.081 643 F CA -1.000 57.156 58.000 0.260 0.000 0.954 643 F CB 0.662 39.822 39.000 0.268 0.000 1.337 643 F HN -0.159 nan 8.300 nan 0.000 0.474 644 N N 1.356 120.268 118.700 0.354 0.000 2.458 644 N HA -0.016 4.735 4.740 0.018 0.000 0.258 644 N C 0.367 175.947 175.510 0.117 0.000 1.219 644 N CA 0.300 53.446 53.050 0.160 0.000 0.902 644 N CB 0.761 39.244 38.487 -0.006 0.000 1.076 644 N HN 0.607 nan 8.380 nan 0.000 0.455 645 D N 0.327 120.767 120.400 0.067 0.000 2.264 645 D HA -0.117 4.534 4.640 0.018 0.000 0.208 645 D C 1.099 177.405 176.300 0.010 0.000 0.966 645 D CA 0.921 54.957 54.000 0.061 0.000 0.864 645 D CB 0.051 40.874 40.800 0.039 0.000 0.933 645 D HN 0.608 nan 8.370 nan 0.000 0.499 646 N N 0.279 118.946 118.700 -0.055 0.000 2.276 646 N HA -0.057 4.694 4.740 0.018 0.000 0.212 646 N C -0.331 175.181 175.510 0.002 0.000 1.127 646 N CA 0.024 53.033 53.050 -0.067 0.000 0.834 646 N CB -0.151 38.238 38.487 -0.164 0.000 1.014 646 N HN -0.239 nan 8.380 nan 0.000 0.491 647 T N 1.181 115.702 114.554 -0.055 0.000 2.867 647 T HA -0.017 4.344 4.350 0.018 0.000 0.297 647 T C 1.054 175.551 174.700 -0.339 0.000 0.989 647 T CA 0.038 61.973 62.100 -0.276 0.000 1.159 647 T CB 1.787 70.162 68.868 -0.823 0.000 0.928 647 T HN 0.288 nan 8.240 nan 0.000 0.538 648 E N 0.923 120.979 120.200 -0.239 0.000 2.086 648 E HA 0.039 4.400 4.350 0.018 0.000 0.190 648 E C 0.723 177.244 176.600 -0.131 0.000 0.975 648 E CA 0.522 56.844 56.400 -0.130 0.000 0.813 648 E CB 0.304 29.956 29.700 -0.079 0.000 0.768 648 E HN 0.884 nan 8.360 nan 0.000 0.457 649 c N -2.102 116.340 118.600 -0.263 0.000 3.275 649 c HA 0.432 5.013 4.570 0.018 0.000 0.345 649 c C -1.090 172.858 174.090 -0.236 0.000 1.257 649 c CA -1.482 54.754 56.329 -0.156 0.000 1.203 649 c CB -0.078 42.416 42.510 -0.027 0.000 1.492 649 c HN 0.092 nan 8.230 nan 0.000 0.484 650 L N 2.667 123.827 121.223 -0.104 0.000 2.313 650 L HA 0.613 4.964 4.340 0.018 0.000 0.282 650 L C 0.821 177.682 176.870 -0.015 0.000 1.092 650 L CA 0.358 55.171 54.840 -0.045 0.000 0.831 650 L CB 0.716 42.815 42.059 0.067 0.000 1.159 650 L HN 1.030 nan 8.230 nan 0.000 0.442 651 A N 4.441 127.246 122.820 -0.025 0.000 2.350 651 A HA 0.732 5.063 4.320 0.018 0.000 0.318 651 A C -0.280 177.283 177.584 -0.034 0.000 1.132 651 A CA -0.821 51.203 52.037 -0.023 0.000 0.811 651 A CB 1.004 19.997 19.000 -0.012 0.000 1.313 651 A HN 0.715 nan 8.150 nan 0.000 0.454 652 R N 0.078 120.508 120.500 -0.117 0.000 2.543 652 R HA 0.247 4.598 4.340 0.018 0.000 0.277 652 R C 0.623 176.787 176.300 -0.227 0.000 1.074 652 R CA -0.135 55.838 56.100 -0.212 0.000 1.076 652 R CB 0.324 30.408 30.300 -0.360 0.000 0.993 652 R HN 0.679 nan 8.270 nan 0.000 0.459 653 L N 2.504 123.672 121.223 -0.092 0.000 2.478 653 L HA -0.057 4.294 4.340 0.018 0.000 0.223 653 L C 0.105 177.056 176.870 0.135 0.000 1.140 653 L CA 0.277 55.160 54.840 0.071 0.000 0.842 653 L CB -0.370 41.738 42.059 0.080 0.000 0.953 653 L HN 0.801 nan 8.230 nan 0.000 0.452 654 H N -0.167 118.948 119.070 0.076 0.000 2.791 654 H HA -0.187 4.379 4.556 0.018 0.000 0.302 654 H C 1.448 176.812 175.328 0.059 0.000 1.198 654 H CA 0.800 56.883 56.048 0.059 0.000 1.145 654 H CB -1.552 28.241 29.762 0.052 0.000 1.385 654 H HN 0.581 nan 8.280 nan 0.000 0.409 655 G N -0.386 108.492 108.800 0.130 0.000 2.194 655 G HA2 -0.306 3.665 3.960 0.018 0.000 0.236 655 G HA3 -0.306 3.665 3.960 0.018 0.000 0.236 655 G C 0.453 175.417 174.900 0.107 0.000 0.987 655 G CA 0.311 45.471 45.100 0.102 0.000 0.635 655 G HN 0.408 nan 8.290 nan 0.000 0.520 656 K N 1.546 122.036 120.400 0.149 0.000 2.222 656 K HA 0.444 4.775 4.320 0.018 0.000 0.243 656 K C 1.282 177.987 176.600 0.175 0.000 1.160 656 K CA 0.556 56.951 56.287 0.180 0.000 1.090 656 K CB 0.483 33.140 32.500 0.261 0.000 1.694 656 K HN 0.254 nan 8.250 nan 0.000 0.361 657 T N -1.435 113.184 114.554 0.108 0.000 3.105 657 T HA 0.030 4.391 4.350 0.018 0.000 0.253 657 T C 0.416 175.160 174.700 0.073 0.000 1.047 657 T CA -0.220 61.923 62.100 0.072 0.000 0.944 657 T CB 0.075 68.973 68.868 0.051 0.000 1.016 657 T HN 0.375 nan 8.240 nan 0.000 0.544 658 T N -0.632 113.976 114.554 0.091 0.000 2.908 658 T HA 0.435 4.796 4.350 0.018 0.000 0.290 658 T C 0.848 175.634 174.700 0.143 0.000 1.034 658 T CA -0.646 61.505 62.100 0.085 0.000 1.010 658 T CB 1.207 70.074 68.868 -0.002 0.000 1.068 658 T HN 0.252 nan 8.240 nan 0.000 0.481 659 Y N 0.968 121.330 120.300 0.103 0.000 2.165 659 Y HA -0.067 4.493 4.550 0.016 0.000 0.286 659 Y C 2.030 178.049 175.900 0.197 0.000 1.155 659 Y CA 1.550 59.748 58.100 0.163 0.000 1.164 659 Y CB -0.847 37.676 38.460 0.105 0.000 0.978 659 Y HN 0.725 nan 8.280 nan 0.000 0.513 660 E N 0.956 120.815 120.200 -0.569 0.000 2.038 660 E HA -0.203 4.158 4.350 0.018 0.000 0.195 660 E C 2.103 178.665 176.600 -0.063 0.000 1.000 660 E CA 1.742 57.924 56.400 -0.363 0.000 0.803 660 E CB -0.217 29.211 29.700 -0.453 0.000 0.750 660 E HN 0.551 nan 8.360 nan 0.000 0.448 661 K N -0.045 120.338 120.400 -0.028 0.000 2.103 661 K HA -0.196 4.135 4.320 0.018 0.000 0.207 661 K C 2.053 178.723 176.600 0.117 0.000 1.048 661 K CA 1.358 57.672 56.287 0.045 0.000 0.930 661 K CB -0.215 32.320 32.500 0.058 0.000 0.716 661 K HN 0.163 nan 8.250 nan 0.000 0.444 662 Y N 0.762 121.103 120.300 0.067 0.000 2.243 662 Y HA -0.034 4.526 4.550 0.017 0.000 0.293 662 Y C 1.608 177.592 175.900 0.140 0.000 1.124 662 Y CA 1.105 59.271 58.100 0.109 0.000 1.159 662 Y CB 0.135 38.677 38.460 0.137 0.000 1.008 662 Y HN -0.093 nan 8.280 nan 0.000 0.527 663 L N -0.422 120.938 121.223 0.228 0.000 2.131 663 L HA 0.178 4.529 4.340 0.018 0.000 0.206 663 L C 0.933 177.891 176.870 0.147 0.000 1.087 663 L CA 0.780 55.765 54.840 0.242 0.000 0.767 663 L CB -0.817 41.519 42.059 0.461 0.000 0.917 663 L HN 0.426 nan 8.230 nan 0.000 0.441 664 G N -1.164 107.702 108.800 0.109 0.000 2.674 664 G HA2 -0.114 3.857 3.960 0.018 0.000 0.686 664 G HA3 -0.114 3.857 3.960 0.018 0.000 0.686 664 G C -2.340 172.614 174.900 0.091 0.000 1.195 664 G CA -0.459 44.682 45.100 0.069 0.000 0.776 664 G HN -0.119 nan 8.290 nan 0.000 0.654 665 P HA -0.199 nan 4.420 nan 0.000 0.214 665 P C 1.719 179.060 177.300 0.067 0.000 1.163 665 P CA 2.059 65.188 63.100 0.047 0.000 0.889 665 P CB 0.061 31.779 31.700 0.029 0.000 0.790 666 Q N -1.309 118.536 119.800 0.074 0.000 2.050 666 Q HA -0.196 4.155 4.340 0.018 0.000 0.202 666 Q C 2.377 178.456 176.000 0.132 0.000 0.980 666 Q CA 1.386 57.239 55.803 0.083 0.000 0.840 666 Q CB -1.571 27.208 28.738 0.068 0.000 0.898 666 Q HN 0.231 nan 8.270 nan 0.000 0.424 667 Y N 0.948 121.250 120.300 0.003 0.000 2.128 667 Y HA -0.211 4.351 4.550 0.020 0.000 0.284 667 Y C 2.154 178.060 175.900 0.010 0.000 1.154 667 Y CA 0.909 59.009 58.100 -0.000 0.000 1.149 667 Y CB -0.518 37.944 38.460 0.003 0.000 0.976 667 Y HN -0.066 nan 8.280 nan 0.000 0.505 668 V N 0.277 120.205 119.914 0.024 0.000 2.392 668 V HA -0.345 3.786 4.120 0.018 0.000 0.249 668 V C 2.655 178.722 176.094 -0.044 0.000 1.059 668 V CA 1.788 64.083 62.300 -0.009 0.000 1.051 668 V CB -1.565 30.353 31.823 0.159 0.000 0.658 668 V HN 0.537 nan 8.190 nan 0.000 0.455 669 A N 0.330 123.152 122.820 0.003 0.000 1.902 669 A HA -0.071 4.260 4.320 0.018 0.000 0.217 669 A C 2.423 179.987 177.584 -0.034 0.000 1.181 669 A CA 1.867 53.909 52.037 0.007 0.000 0.623 669 A CB -1.160 17.861 19.000 0.035 0.000 0.818 669 A HN 0.520 nan 8.150 nan 0.000 0.443 670 G N 0.214 108.985 108.800 -0.048 0.000 2.459 670 G HA2 -0.202 3.769 3.960 0.018 0.000 0.217 670 G HA3 -0.202 3.769 3.960 0.018 0.000 0.217 670 G C 1.492 176.285 174.900 -0.178 0.000 1.183 670 G CA 1.243 46.308 45.100 -0.058 0.000 0.776 670 G HN 0.477 nan 8.290 nan 0.000 0.552 671 I N 0.757 121.102 120.570 -0.375 0.000 2.315 671 I HA -0.117 4.064 4.170 0.018 0.000 0.248 671 I C 2.937 178.806 176.117 -0.413 0.000 1.117 671 I CA 1.294 62.286 61.300 -0.513 0.000 1.404 671 I CB -0.408 37.029 38.000 -0.940 0.000 1.071 671 I HN 0.061 nan 8.210 nan 0.000 0.419 672 T N 0.440 114.813 114.554 -0.300 0.000 2.788 672 T HA -0.161 4.200 4.350 0.018 0.000 0.268 672 T C 1.834 176.500 174.700 -0.056 0.000 1.044 672 T CA 1.323 63.365 62.100 -0.096 0.000 1.139 672 T CB -0.310 68.579 68.868 0.036 0.000 0.867 672 T HN 0.335 nan 8.240 nan 0.000 0.454 673 N N 0.998 119.661 118.700 -0.062 0.000 2.106 673 N HA 0.025 4.776 4.740 0.018 0.000 0.188 673 N C 1.954 177.380 175.510 -0.139 0.000 1.029 673 N CA 0.821 53.851 53.050 -0.033 0.000 0.848 673 N CB -0.314 38.189 38.487 0.027 0.000 1.007 673 N HN 0.311 nan 8.380 nan 0.000 0.423 674 L N 1.355 122.455 121.223 -0.204 0.000 2.081 674 L HA -0.165 4.186 4.340 0.018 0.000 0.212 674 L C 1.776 178.586 176.870 -0.100 0.000 1.080 674 L CA 1.238 55.932 54.840 -0.244 0.000 0.754 674 L CB -0.254 41.675 42.059 -0.216 0.000 0.893 674 L HN 0.101 nan 8.230 nan 0.000 0.433 675 K N -0.332 120.021 120.400 -0.078 0.000 2.525 675 K HA -0.058 4.273 4.320 0.018 0.000 0.192 675 K C 1.726 178.339 176.600 0.023 0.000 1.029 675 K CA 0.324 56.608 56.287 -0.006 0.000 1.029 675 K CB 0.092 32.598 32.500 0.010 0.000 0.814 675 K HN 0.132 nan 8.250 nan 0.000 0.503 676 K N 0.288 120.691 120.400 0.004 0.000 2.155 676 K HA -0.005 4.326 4.320 0.018 0.000 0.203 676 K C 1.937 178.557 176.600 0.033 0.000 1.052 676 K CA 0.587 56.892 56.287 0.030 0.000 0.948 676 K CB -0.655 31.872 32.500 0.045 0.000 0.728 676 K HN 0.076 nan 8.250 nan 0.000 0.448 677 c N 0.921 119.532 118.600 0.019 0.000 2.446 677 c HA 0.085 4.666 4.570 0.018 0.000 0.279 677 c C 0.751 174.874 174.090 0.055 0.000 1.366 677 c CA 0.409 56.744 56.329 0.011 0.000 1.763 677 c CB -0.890 41.579 42.510 -0.068 0.000 1.929 677 c HN 0.486 nan 8.230 nan 0.000 0.509 678 S N -0.997 114.756 115.700 0.088 0.000 2.658 678 S HA 0.411 4.892 4.470 0.018 0.000 0.312 678 S C -0.893 173.748 174.600 0.067 0.000 1.006 678 S CA -0.298 57.950 58.200 0.079 0.000 0.855 678 S CB 0.487 63.751 63.200 0.107 0.000 1.053 678 S HN 0.440 nan 8.310 nan 0.000 0.455 679 T N -0.122 114.461 114.554 0.047 0.000 2.932 679 T HA 0.856 5.217 4.350 0.018 0.000 0.289 679 T C 0.295 175.010 174.700 0.025 0.000 1.039 679 T CA -0.236 61.890 62.100 0.044 0.000 1.024 679 T CB 1.409 70.307 68.868 0.050 0.000 1.090 679 T HN 1.429 nan 8.240 nan 0.000 0.496 680 S N 1.603 117.315 115.700 0.021 0.000 2.645 680 S HA 0.385 4.866 4.470 0.018 0.000 0.266 680 S C -1.883 172.714 174.600 -0.005 0.000 1.258 680 S CA -1.211 56.990 58.200 0.002 0.000 0.990 680 S CB 0.435 63.635 63.200 -0.001 0.000 0.967 680 S HN 0.589 nan 8.310 nan 0.000 0.556 681 P HA -0.050 nan 4.420 nan 0.000 0.217 681 P C 1.611 178.896 177.300 -0.025 0.000 1.150 681 P CA 0.293 63.377 63.100 -0.027 0.000 0.832 681 P CB -0.033 31.645 31.700 -0.036 0.000 0.787 682 L N -0.965 120.242 121.223 -0.027 0.000 2.042 682 L HA -0.158 4.193 4.340 0.018 0.000 0.210 682 L C 2.088 178.945 176.870 -0.022 0.000 1.076 682 L CA 1.865 56.687 54.840 -0.030 0.000 0.749 682 L CB -1.550 40.485 42.059 -0.040 0.000 0.893 682 L HN -0.107 nan 8.230 nan 0.000 0.432 683 L N -0.487 120.729 121.223 -0.012 0.000 2.056 683 L HA -0.172 4.179 4.340 0.018 0.000 0.207 683 L C 2.558 179.432 176.870 0.006 0.000 1.078 683 L CA 1.616 56.452 54.840 -0.007 0.000 0.749 683 L CB -0.967 41.107 42.059 0.024 0.000 0.901 683 L HN 0.402 nan 8.230 nan 0.000 0.433 684 E N -1.010 119.196 120.200 0.010 0.000 2.077 684 E HA -0.207 4.154 4.350 0.018 0.000 0.193 684 E C 2.139 178.761 176.600 0.038 0.000 0.989 684 E CA 1.101 57.511 56.400 0.018 0.000 0.800 684 E CB -0.018 29.680 29.700 -0.004 0.000 0.746 684 E HN 0.513 nan 8.360 nan 0.000 0.452 685 A N 0.715 123.546 122.820 0.018 0.000 1.883 685 A HA -0.233 4.098 4.320 0.018 0.000 0.217 685 A C 2.460 180.101 177.584 0.096 0.000 1.186 685 A CA 1.603 53.666 52.037 0.043 0.000 0.624 685 A CB -0.906 18.098 19.000 0.007 0.000 0.822 685 A HN 0.392 nan 8.150 nan 0.000 0.444 686 c N -1.483 117.139 118.600 0.037 0.000 2.446 686 c HA 0.055 4.636 4.570 0.018 0.000 0.279 686 c C 2.614 176.715 174.090 0.018 0.000 1.366 686 c CA 1.046 57.382 56.329 0.012 0.000 1.763 686 c CB -0.969 41.514 42.510 -0.045 0.000 1.929 686 c HN 0.730 nan 8.230 nan 0.000 0.509 687 E N 0.556 120.779 120.200 0.038 0.000 2.106 687 E HA -0.155 4.206 4.350 0.018 0.000 0.192 687 E C 1.695 178.335 176.600 0.067 0.000 0.984 687 E CA 0.956 57.379 56.400 0.038 0.000 0.806 687 E CB -0.374 29.354 29.700 0.046 0.000 0.750 687 E HN 0.638 nan 8.360 nan 0.000 0.458 688 F N 0.411 120.348 119.950 -0.022 0.000 2.134 688 F HA -0.129 4.409 4.527 0.018 0.000 0.299 688 F C 1.605 177.390 175.800 -0.025 0.000 1.097 688 F CA 1.355 59.346 58.000 -0.015 0.000 1.264 688 F CB -0.128 38.868 39.000 -0.007 0.000 1.001 688 F HN 0.007 nan 8.300 nan 0.000 0.479 689 L N -0.148 121.043 121.223 -0.054 0.000 2.109 689 L HA -0.134 4.217 4.340 0.018 0.000 0.207 689 L C 2.618 179.365 176.870 -0.206 0.000 1.086 689 L CA 0.706 55.434 54.840 -0.186 0.000 0.760 689 L CB -0.673 41.361 42.059 -0.041 0.000 0.910 689 L HN -0.014 nan 8.230 nan 0.000 0.437 690 R N 1.022 121.445 120.500 -0.127 0.000 2.120 690 R HA -0.029 4.322 4.340 0.018 0.000 0.234 690 R C 0.934 177.162 176.300 -0.121 0.000 1.123 690 R CA 0.634 56.671 56.100 -0.105 0.000 0.975 690 R CB -0.562 29.701 30.300 -0.060 0.000 0.866 690 R HN 0.431 nan 8.270 nan 0.000 0.446 691 K N 0.000 120.314 120.400 -0.143 0.000 2.780 691 K HA 0.000 4.331 4.320 0.018 0.000 0.191 691 K CA 0.000 56.217 56.287 -0.116 0.000 0.838 691 K CB 0.000 32.416 32.500 -0.140 0.000 1.064 691 K HN 0.000 nan 8.250 nan 0.000 0.543