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 1sqy_1_A DATA FIRST_RESID 1 DATA SEQUENCE GRRRSVQWcT VSNPEATKcF QWQRNMRRVR GPPVScVKRD SPTQcIQAIA 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 DKSPAFQLFG 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 QScAPGRDPR 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 3.958 3.960 -0.003 0.000 0.244 1 G C 0.000 174.898 174.900 -0.003 0.000 0.946 1 G CA 0.000 45.099 45.100 -0.002 0.000 0.502 2 R N -0.035 120.465 120.500 -0.000 0.000 2.115 2 R HA 0.111 4.449 4.340 -0.003 0.000 0.226 2 R C 1.799 178.101 176.300 0.003 0.000 1.100 2 R CA 0.396 56.496 56.100 0.001 0.000 0.980 2 R CB 0.079 30.381 30.300 0.004 0.000 0.875 2 R HN 0.208 nan 8.270 nan 0.000 0.445 3 R N 0.357 120.860 120.500 0.004 0.000 2.312 3 R HA 0.147 4.485 4.340 -0.003 0.000 0.205 3 R C 1.602 177.899 176.300 -0.004 0.000 0.904 3 R CA -0.186 55.916 56.100 0.004 0.000 1.052 3 R CB 0.159 30.465 30.300 0.008 0.000 1.014 3 R HN 0.013 nan 8.270 nan 0.000 0.503 4 R N 0.400 120.897 120.500 -0.006 0.000 2.190 4 R HA -0.101 4.238 4.340 -0.003 0.000 0.255 4 R C 0.557 176.847 176.300 -0.017 0.000 1.143 4 R CA 1.330 57.423 56.100 -0.011 0.000 0.965 4 R CB -0.273 30.022 30.300 -0.009 0.000 0.889 4 R HN -0.050 nan 8.270 nan 0.000 0.448 5 S N -2.379 113.311 115.700 -0.016 0.000 2.558 5 S HA 0.413 4.881 4.470 -0.003 0.000 0.277 5 S C -1.644 172.948 174.600 -0.014 0.000 1.143 5 S CA -0.837 57.348 58.200 -0.024 0.000 0.865 5 S CB 1.372 64.557 63.200 -0.026 0.000 1.102 5 S HN -0.103 nan 8.310 nan 0.000 0.454 6 V N 4.443 124.350 119.914 -0.012 0.000 2.427 6 V HA 0.454 4.573 4.120 -0.003 0.000 0.286 6 V C -0.303 175.811 176.094 0.033 0.000 1.034 6 V CA -0.477 61.836 62.300 0.020 0.000 0.893 6 V CB 1.623 33.492 31.823 0.076 0.000 0.982 6 V HN 0.791 nan 8.190 nan 0.000 0.452 7 Q N 4.590 124.397 119.800 0.011 0.000 2.398 7 Q HA 0.219 4.557 4.340 -0.003 0.000 0.251 7 Q C -0.781 175.224 176.000 0.009 0.000 0.999 7 Q CA -0.260 55.554 55.803 0.019 0.000 0.874 7 Q CB 1.656 30.385 28.738 -0.014 0.000 1.215 7 Q HN 0.736 nan 8.270 nan 0.000 0.470 8 W N 3.100 124.385 121.300 -0.025 0.000 2.287 8 W HA 0.192 4.851 4.660 -0.003 0.000 0.313 8 W C -0.459 176.048 176.519 -0.019 0.000 1.267 8 W CA -0.832 56.523 57.345 0.017 0.000 1.201 8 W CB 1.432 30.952 29.460 0.101 0.000 1.196 8 W HN 0.562 nan 8.180 nan 0.000 0.536 9 c N 7.071 125.624 118.600 -0.078 0.000 2.265 9 c HA 0.457 5.025 4.570 -0.003 0.000 0.332 9 c C 0.852 174.996 174.090 0.090 0.000 1.248 9 c CA -0.108 56.214 56.329 -0.010 0.000 1.727 9 c CB -0.824 41.623 42.510 -0.106 0.000 2.348 9 c HN 0.638 nan 8.230 nan 0.000 0.519 10 T N 2.686 117.285 114.554 0.076 0.000 2.918 10 T HA 0.436 4.785 4.350 -0.003 0.000 0.283 10 T C 0.774 175.483 174.700 0.015 0.000 1.001 10 T CA -0.182 61.951 62.100 0.056 0.000 1.041 10 T CB 1.407 70.277 68.868 0.003 0.000 1.028 10 T HN 1.061 nan 8.240 nan 0.000 0.511 11 V N -1.906 118.017 119.914 0.015 0.000 3.528 11 V HA 0.430 4.548 4.120 -0.003 0.000 0.294 11 V C 0.513 176.609 176.094 0.004 0.000 1.404 11 V CA 0.307 62.608 62.300 0.002 0.000 1.065 11 V CB -0.996 30.833 31.823 0.010 0.000 0.904 11 V HN 1.166 nan 8.190 nan 0.000 0.435 12 S N -0.964 114.741 115.700 0.009 0.000 2.656 12 S HA 0.445 4.914 4.470 -0.003 0.000 0.273 12 S C 0.289 174.898 174.600 0.014 0.000 1.168 12 S CA 0.126 58.331 58.200 0.009 0.000 0.817 12 S CB 1.551 64.760 63.200 0.015 0.000 1.146 12 S HN 0.097 nan 8.310 nan 0.000 0.475 13 N N 1.236 119.950 118.700 0.022 0.000 2.080 13 N HA 0.148 4.886 4.740 -0.003 0.000 0.189 13 N C -1.298 174.240 175.510 0.046 0.000 1.036 13 N CA 1.605 54.679 53.050 0.041 0.000 0.846 13 N CB -1.174 37.339 38.487 0.043 0.000 1.015 13 N HN 0.508 nan 8.380 nan 0.000 0.423 14 P HA -0.098 nan 4.420 nan 0.000 0.218 14 P C 0.818 178.138 177.300 0.033 0.000 1.148 14 P CA 1.129 64.255 63.100 0.044 0.000 0.822 14 P CB 0.042 31.765 31.700 0.038 0.000 0.784 15 E N -0.599 119.611 120.200 0.017 0.000 2.072 15 E HA -0.147 4.201 4.350 -0.003 0.000 0.191 15 E C 2.043 178.615 176.600 -0.046 0.000 0.985 15 E CA 0.965 57.361 56.400 -0.007 0.000 0.801 15 E CB -0.421 29.279 29.700 -0.000 0.000 0.750 15 E HN 0.081 nan 8.360 nan 0.000 0.452 16 A N 0.434 123.219 122.820 -0.059 0.000 1.883 16 A HA -0.214 4.105 4.320 -0.003 0.000 0.217 16 A C 2.361 179.813 177.584 -0.221 0.000 1.186 16 A CA 2.079 53.992 52.037 -0.205 0.000 0.624 16 A CB -1.026 17.935 19.000 -0.065 0.000 0.822 16 A HN 0.239 nan 8.150 nan 0.000 0.444 17 T N -0.386 114.208 114.554 0.067 0.000 2.607 17 T HA -0.215 4.133 4.350 -0.003 0.000 0.267 17 T C 2.011 176.802 174.700 0.152 0.000 1.049 17 T CA 1.963 64.190 62.100 0.211 0.000 1.162 17 T CB -0.256 68.706 68.868 0.157 0.000 0.863 17 T HN 0.638 nan 8.240 nan 0.000 0.424 18 K N 0.100 120.556 120.400 0.093 0.000 2.103 18 K HA -0.144 4.174 4.320 -0.003 0.000 0.207 18 K C 2.619 179.314 176.600 0.159 0.000 1.048 18 K CA 1.499 57.872 56.287 0.144 0.000 0.930 18 K CB -0.583 31.961 32.500 0.073 0.000 0.716 18 K HN 0.415 nan 8.250 nan 0.000 0.444 19 c N 0.514 119.116 118.600 0.004 0.000 2.419 19 c HA -0.065 4.504 4.570 -0.003 0.000 0.281 19 c C 2.221 176.292 174.090 -0.032 0.000 1.336 19 c CA 0.352 56.680 56.329 -0.003 0.000 1.770 19 c CB -1.283 41.112 42.510 -0.192 0.000 1.929 19 c HN 0.526 nan 8.230 nan 0.000 0.509 20 F N 1.193 121.194 119.950 0.086 0.000 2.234 20 F HA -0.007 4.519 4.527 -0.003 0.000 0.296 20 F C 2.590 178.369 175.800 -0.034 0.000 1.089 20 F CA 1.378 59.388 58.000 0.017 0.000 1.343 20 F CB -1.036 37.972 39.000 0.014 0.000 1.040 20 F HN 0.330 nan 8.300 nan 0.000 0.498 21 Q N -1.159 118.737 119.800 0.160 0.000 2.050 21 Q HA -0.267 4.071 4.340 -0.003 0.000 0.202 21 Q C 2.135 177.920 176.000 -0.358 0.000 0.980 21 Q CA 1.829 57.611 55.803 -0.036 0.000 0.840 21 Q CB -0.823 27.973 28.738 0.096 0.000 0.898 21 Q HN 0.497 nan 8.270 nan 0.000 0.424 22 W N 2.368 123.305 121.300 -0.606 0.000 2.325 22 W HA -0.231 4.427 4.660 -0.003 0.000 0.299 22 W C 2.120 178.365 176.519 -0.457 0.000 1.215 22 W CA 1.784 58.632 57.345 -0.829 0.000 1.244 22 W CB -0.504 28.792 29.460 -0.274 0.000 1.140 22 W HN 0.213 nan 8.180 nan 0.000 0.523 23 Q N 0.361 120.046 119.800 -0.192 0.000 2.096 23 Q HA -0.253 4.085 4.340 -0.003 0.000 0.204 23 Q C 2.368 178.259 176.000 -0.182 0.000 0.982 23 Q CA 2.733 58.402 55.803 -0.223 0.000 0.850 23 Q CB -0.267 28.447 28.738 -0.039 0.000 0.901 23 Q HN 0.480 nan 8.270 nan 0.000 0.422 24 R N -0.527 119.883 120.500 -0.149 0.000 2.093 24 R HA 0.025 4.364 4.340 -0.003 0.000 0.224 24 R C 1.710 177.926 176.300 -0.139 0.000 1.101 24 R CA 1.181 57.209 56.100 -0.120 0.000 0.979 24 R CB -0.529 29.721 30.300 -0.083 0.000 0.877 24 R HN 0.243 nan 8.270 nan 0.000 0.441 25 N N 0.649 119.196 118.700 -0.255 0.000 2.309 25 N HA -0.060 4.679 4.740 -0.003 0.000 0.182 25 N C 1.586 177.109 175.510 0.022 0.000 1.018 25 N CA 1.081 54.014 53.050 -0.195 0.000 0.876 25 N CB -0.012 38.101 38.487 -0.623 0.000 0.972 25 N HN 0.243 nan 8.380 nan 0.000 0.434 26 M N 0.512 120.068 119.600 -0.074 0.000 2.419 26 M HA -0.025 4.453 4.480 -0.003 0.000 0.264 26 M C 1.765 178.056 176.300 -0.015 0.000 1.082 26 M CA 0.798 56.102 55.300 0.006 0.000 1.119 26 M CB -0.476 32.016 32.600 -0.179 0.000 1.398 26 M HN 0.101 nan 8.290 nan 0.000 0.453 27 R N 0.253 120.726 120.500 -0.045 0.000 2.393 27 R HA 0.126 4.465 4.340 -0.003 0.000 0.244 27 R C 1.239 177.533 176.300 -0.010 0.000 0.920 27 R CA 0.251 56.331 56.100 -0.034 0.000 1.076 27 R CB -0.128 30.140 30.300 -0.052 0.000 1.119 27 R HN 0.219 nan 8.270 nan 0.000 0.524 28 R N 0.322 120.831 120.500 0.016 0.000 2.446 28 R HA 0.204 4.543 4.340 -0.003 0.000 0.254 28 R C 0.017 176.349 176.300 0.054 0.000 0.918 28 R CA 0.397 56.515 56.100 0.030 0.000 1.069 28 R CB 0.905 31.224 30.300 0.032 0.000 1.194 28 R HN 0.101 nan 8.270 nan 0.000 0.534 29 V N 1.086 121.041 119.914 0.068 0.000 3.337 29 V HA 0.208 4.326 4.120 -0.003 0.000 0.307 29 V C 0.015 176.123 176.094 0.022 0.000 1.505 29 V CA -0.347 61.983 62.300 0.051 0.000 1.072 29 V CB 0.322 32.186 31.823 0.068 0.000 0.929 29 V HN 0.230 nan 8.190 nan 0.000 0.455 30 R N 0.421 120.932 120.500 0.019 0.000 3.332 30 R HA -0.139 4.199 4.340 -0.003 0.000 0.263 30 R C 0.519 176.818 176.300 -0.002 0.000 1.053 30 R CA 0.733 56.835 56.100 0.002 0.000 0.705 30 R CB -2.037 28.262 30.300 -0.002 0.000 1.166 30 R HN 0.630 nan 8.270 nan 0.000 0.427 31 G N 0.683 109.487 108.800 0.006 0.000 2.613 31 G HA2 0.647 4.605 3.960 -0.003 0.000 0.303 31 G HA3 0.647 4.605 3.960 -0.003 0.000 0.303 31 G C -2.370 172.516 174.900 -0.024 0.000 1.312 31 G CA -1.158 43.942 45.100 -0.000 0.000 1.036 31 G HN -0.045 nan 8.290 nan 0.000 0.513 32 P HA 0.228 nan 4.420 nan 0.000 0.269 32 P C -2.397 174.845 177.300 -0.097 0.000 1.209 32 P CA -0.612 62.457 63.100 -0.051 0.000 0.776 32 P CB 0.467 32.143 31.700 -0.040 0.000 0.876 33 P HA 0.231 nan 4.420 nan 0.000 0.278 33 P C -1.090 176.109 177.300 -0.169 0.000 1.238 33 P CA -0.063 62.964 63.100 -0.122 0.000 0.794 33 P CB 0.753 32.409 31.700 -0.073 0.000 0.955 34 V N 1.919 121.688 119.914 -0.241 0.000 2.808 34 V HA 0.662 4.780 4.120 -0.003 0.000 0.308 34 V C -0.913 175.076 176.094 -0.175 0.000 1.099 34 V CA -0.358 61.775 62.300 -0.278 0.000 0.920 34 V CB 2.087 33.504 31.823 -0.677 0.000 1.014 34 V HN 0.782 nan 8.190 nan 0.000 0.425 35 S N 5.634 121.294 115.700 -0.066 0.000 2.568 35 S HA 0.792 5.260 4.470 -0.003 0.000 0.293 35 S C -0.616 174.004 174.600 0.034 0.000 1.089 35 S CA -0.697 57.505 58.200 0.003 0.000 0.945 35 S CB 1.625 64.838 63.200 0.022 0.000 1.077 35 S HN 0.989 nan 8.310 nan 0.000 0.485 36 c N 1.946 120.568 118.600 0.037 0.000 2.411 36 c HA 0.878 5.447 4.570 -0.003 0.000 0.330 36 c C -0.027 174.072 174.090 0.015 0.000 1.224 36 c CA -0.581 55.727 56.329 -0.035 0.000 1.770 36 c CB 0.602 42.882 42.510 -0.383 0.000 2.297 36 c HN 0.767 nan 8.230 nan 0.000 0.507 37 V N 2.463 122.383 119.914 0.009 0.000 2.769 37 V HA 0.567 4.686 4.120 -0.003 0.000 0.312 37 V C -0.477 175.620 176.094 0.006 0.000 1.061 37 V CA -0.653 61.659 62.300 0.021 0.000 0.931 37 V CB 2.171 33.999 31.823 0.009 0.000 1.010 37 V HN 0.844 nan 8.190 nan 0.000 0.433 38 K N 3.096 123.507 120.400 0.019 0.000 2.203 38 K HA 0.837 5.155 4.320 -0.003 0.000 0.251 38 K C -0.566 176.036 176.600 0.002 0.000 0.944 38 K CA -0.713 55.581 56.287 0.012 0.000 0.829 38 K CB 1.570 34.090 32.500 0.034 0.000 1.125 38 K HN 0.466 nan 8.250 nan 0.000 0.430 39 R N 0.423 120.918 120.500 -0.007 0.000 2.762 39 R HA 0.288 4.626 4.340 -0.003 0.000 0.271 39 R C -0.830 175.457 176.300 -0.022 0.000 1.038 39 R CA -0.655 55.434 56.100 -0.020 0.000 0.906 39 R CB 0.912 31.190 30.300 -0.036 0.000 1.259 39 R HN 0.697 nan 8.270 nan 0.000 0.457 40 D N 0.059 120.439 120.400 -0.033 0.000 2.469 40 D HA 0.122 4.760 4.640 -0.003 0.000 0.215 40 D C -0.191 176.079 176.300 -0.050 0.000 1.154 40 D CA 0.329 54.309 54.000 -0.034 0.000 0.832 40 D CB 0.850 41.631 40.800 -0.031 0.000 1.008 40 D HN 0.449 nan 8.370 nan 0.000 0.506 41 S N -1.045 114.612 115.700 -0.073 0.000 2.578 41 S HA 0.320 4.789 4.470 -0.003 0.000 0.272 41 S C -2.694 171.805 174.600 -0.169 0.000 1.145 41 S CA -0.924 57.204 58.200 -0.120 0.000 0.835 41 S CB 2.402 65.507 63.200 -0.158 0.000 1.104 41 S HN -0.369 nan 8.310 nan 0.000 0.458 42 P HA -0.080 nan 4.420 nan 0.000 0.214 42 P C 1.501 178.640 177.300 -0.269 0.000 1.163 42 P CA 2.078 64.978 63.100 -0.334 0.000 0.889 42 P CB -0.281 30.973 31.700 -0.743 0.000 0.790 43 T N -0.687 113.707 114.554 -0.266 0.000 2.737 43 T HA -0.227 4.121 4.350 -0.003 0.000 0.269 43 T C 1.861 176.442 174.700 -0.197 0.000 1.040 43 T CA 1.416 63.393 62.100 -0.204 0.000 1.142 43 T CB -0.655 68.128 68.868 -0.141 0.000 0.861 43 T HN 0.305 nan 8.240 nan 0.000 0.456 44 Q N -0.430 119.280 119.800 -0.151 0.000 2.079 44 Q HA -0.075 4.263 4.340 -0.003 0.000 0.200 44 Q C 2.700 178.632 176.000 -0.113 0.000 0.974 44 Q CA 1.249 56.987 55.803 -0.108 0.000 0.840 44 Q CB -0.319 28.371 28.738 -0.080 0.000 0.898 44 Q HN 0.500 nan 8.270 nan 0.000 0.430 45 c N 0.239 118.764 118.600 -0.126 0.000 2.425 45 c HA -0.110 4.458 4.570 -0.003 0.000 0.277 45 c C 2.507 176.509 174.090 -0.147 0.000 1.280 45 c CA 0.425 56.681 56.329 -0.121 0.000 1.744 45 c CB -0.790 41.650 42.510 -0.116 0.000 1.989 45 c HN 0.485 nan 8.230 nan 0.000 0.491 46 I N 0.311 120.764 120.570 -0.195 0.000 2.226 46 I HA -0.282 3.886 4.170 -0.003 0.000 0.245 46 I C 2.654 178.626 176.117 -0.242 0.000 1.100 46 I CA 1.629 62.776 61.300 -0.255 0.000 1.374 46 I CB -0.508 37.251 38.000 -0.402 0.000 1.057 46 I HN 0.471 nan 8.210 nan 0.000 0.413 47 Q N 0.420 120.085 119.800 -0.225 0.000 2.046 47 Q HA -0.163 4.175 4.340 -0.003 0.000 0.200 47 Q C 2.485 178.475 176.000 -0.016 0.000 0.975 47 Q CA 1.625 57.397 55.803 -0.053 0.000 0.836 47 Q CB -0.307 28.429 28.738 -0.004 0.000 0.896 47 Q HN 0.564 nan 8.270 nan 0.000 0.428 48 A N 1.186 123.975 122.820 -0.050 0.000 1.892 48 A HA -0.239 4.079 4.320 -0.003 0.000 0.218 48 A C 2.061 179.620 177.584 -0.041 0.000 1.188 48 A CA 1.565 53.578 52.037 -0.040 0.000 0.631 48 A CB -0.840 18.127 19.000 -0.055 0.000 0.822 48 A HN 0.344 nan 8.150 nan 0.000 0.447 49 I N -0.498 120.033 120.570 -0.064 0.000 2.226 49 I HA -0.265 3.904 4.170 -0.003 0.000 0.245 49 I C 2.876 178.978 176.117 -0.026 0.000 1.100 49 I CA 1.106 62.366 61.300 -0.066 0.000 1.374 49 I CB -0.314 37.625 38.000 -0.101 0.000 1.057 49 I HN 0.367 nan 8.210 nan 0.000 0.413 50 A N -0.038 122.791 122.820 0.014 0.000 2.067 50 A HA -0.121 4.198 4.320 -0.003 0.000 0.219 50 A C 1.753 179.357 177.584 0.033 0.000 1.158 50 A CA 1.080 53.150 52.037 0.054 0.000 0.661 50 A CB -0.410 18.688 19.000 0.162 0.000 0.801 50 A HN 0.449 nan 8.150 nan 0.000 0.452 51 E N 0.282 120.497 120.200 0.024 0.000 2.370 51 E HA 0.076 4.424 4.350 -0.003 0.000 0.194 51 E C -0.384 176.215 176.600 -0.002 0.000 1.057 51 E CA -0.466 55.942 56.400 0.013 0.000 1.011 51 E CB -0.162 29.548 29.700 0.018 0.000 1.132 51 E HN 0.448 nan 8.360 nan 0.000 0.450 52 N N 1.435 120.130 118.700 -0.009 0.000 2.693 52 N HA -0.234 4.504 4.740 -0.003 0.000 0.249 52 N C 0.142 175.642 175.510 -0.018 0.000 1.119 52 N CA 0.841 53.882 53.050 -0.016 0.000 0.717 52 N CB -0.500 37.980 38.487 -0.012 0.000 1.071 52 N HN 0.406 nan 8.380 nan 0.000 0.555 53 R N -0.677 119.811 120.500 -0.020 0.000 2.468 53 R HA 0.499 4.837 4.340 -0.003 0.000 0.280 53 R C 0.462 176.744 176.300 -0.029 0.000 0.963 53 R CA 0.492 56.581 56.100 -0.019 0.000 1.083 53 R CB 0.967 31.259 30.300 -0.013 0.000 1.200 53 R HN 0.220 nan 8.270 nan 0.000 0.541 54 A N 0.219 123.012 122.820 -0.046 0.000 2.567 54 A HA 0.326 4.644 4.320 -0.003 0.000 0.291 54 A C -1.090 176.435 177.584 -0.098 0.000 1.048 54 A CA -0.809 51.185 52.037 -0.071 0.000 0.661 54 A CB 1.128 20.075 19.000 -0.088 0.000 1.288 54 A HN -0.012 nan 8.150 nan 0.000 0.424 55 D N -0.328 119.987 120.400 -0.141 0.000 2.597 55 D HA 0.446 5.084 4.640 -0.003 0.000 0.261 55 D C 0.738 176.875 176.300 -0.272 0.000 1.023 55 D CA 1.438 55.342 54.000 -0.160 0.000 0.927 55 D CB 0.885 41.617 40.800 -0.113 0.000 1.168 55 D HN 0.936 nan 8.370 nan 0.000 0.491 56 A N 0.328 122.852 122.820 -0.493 0.000 2.566 56 A HA 0.683 5.001 4.320 -0.003 0.000 0.292 56 A C -1.535 175.450 177.584 -0.999 0.000 1.112 56 A CA -0.630 50.960 52.037 -0.745 0.000 0.707 56 A CB 2.502 20.911 19.000 -0.986 0.000 1.302 56 A HN -0.037 nan 8.150 nan 0.000 0.409 57 V N 0.071 119.583 119.914 -0.670 0.000 3.023 57 V HA 0.602 4.720 4.120 -0.003 0.000 0.294 57 V C -0.871 175.227 176.094 0.006 0.000 1.324 57 V CA -0.226 61.872 62.300 -0.337 0.000 0.979 57 V CB 2.408 34.113 31.823 -0.197 0.000 1.093 57 V HN 1.116 nan 8.190 nan 0.000 0.434 58 T N 7.430 122.119 114.554 0.225 0.000 2.806 58 T HA 0.708 5.056 4.350 -0.003 0.000 0.290 58 T C -0.407 174.393 174.700 0.167 0.000 0.966 58 T CA -0.062 62.208 62.100 0.285 0.000 1.060 58 T CB 0.628 69.718 68.868 0.370 0.000 0.927 58 T HN 0.524 nan 8.240 nan 0.000 0.485 59 L N 2.007 123.329 121.223 0.166 0.000 2.350 59 L HA 0.556 4.894 4.340 -0.003 0.000 0.260 59 L C -0.068 176.829 176.870 0.045 0.000 1.015 59 L CA -1.285 53.617 54.840 0.104 0.000 0.821 59 L CB 2.127 44.270 42.059 0.140 0.000 1.370 59 L HN 0.531 nan 8.230 nan 0.000 0.416 60 D N 0.191 120.556 120.400 -0.058 0.000 2.358 60 D HA 0.241 4.880 4.640 -0.003 0.000 0.244 60 D C 1.228 177.704 176.300 0.293 0.000 1.163 60 D CA 0.419 54.316 54.000 -0.171 0.000 0.945 60 D CB 1.793 42.563 40.800 -0.050 0.000 1.152 60 D HN 0.580 nan 8.370 nan 0.000 0.451 61 G N 1.037 110.113 108.800 0.460 0.000 2.469 61 G HA2 -0.263 3.696 3.960 -0.003 0.000 0.219 61 G HA3 -0.263 3.696 3.960 -0.003 0.000 0.219 61 G C 1.412 176.547 174.900 0.392 0.000 1.150 61 G CA 0.896 46.311 45.100 0.524 0.000 0.763 61 G HN 0.625 nan 8.290 nan 0.000 0.561 62 G N 0.283 109.269 108.800 0.310 0.000 2.469 62 G HA2 -0.164 3.794 3.960 -0.003 0.000 0.219 62 G HA3 -0.164 3.794 3.960 -0.003 0.000 0.219 62 G C 1.487 176.317 174.900 -0.117 0.000 1.150 62 G CA 0.824 45.951 45.100 0.045 0.000 0.763 62 G HN 0.408 nan 8.290 nan 0.000 0.561 63 F N 0.149 120.208 119.950 0.182 0.000 2.789 63 F HA 0.302 4.828 4.527 -0.003 0.000 0.300 63 F C 2.288 178.155 175.800 0.112 0.000 1.132 63 F CA -0.388 57.684 58.000 0.119 0.000 1.404 63 F CB 0.201 39.236 39.000 0.058 0.000 1.114 63 F HN 0.003 nan 8.300 nan 0.000 0.584 64 I N -0.660 120.078 120.570 0.278 0.000 2.252 64 I HA -0.313 3.855 4.170 -0.003 0.000 0.245 64 I C 2.358 178.592 176.117 0.195 0.000 1.102 64 I CA 1.522 62.942 61.300 0.201 0.000 1.385 64 I CB -1.132 37.002 38.000 0.224 0.000 1.064 64 I HN 0.192 nan 8.210 nan 0.000 0.414 65 Y N 2.417 122.780 120.300 0.105 0.000 2.145 65 Y HA -0.240 4.308 4.550 -0.003 0.000 0.286 65 Y C 2.548 178.499 175.900 0.085 0.000 1.145 65 Y CA 1.795 59.953 58.100 0.097 0.000 1.148 65 Y CB -0.038 38.434 38.460 0.020 0.000 0.981 65 Y HN 0.147 nan 8.280 nan 0.000 0.507 66 E N 0.222 120.486 120.200 0.106 0.000 2.072 66 E HA -0.153 4.195 4.350 -0.003 0.000 0.191 66 E C 2.364 178.985 176.600 0.036 0.000 0.985 66 E CA 1.094 57.518 56.400 0.041 0.000 0.801 66 E CB -0.694 29.074 29.700 0.114 0.000 0.750 66 E HN 0.557 nan 8.360 nan 0.000 0.452 67 A N 0.850 123.699 122.820 0.047 0.000 2.121 67 A HA -0.015 4.304 4.320 -0.003 0.000 0.218 67 A C 2.225 179.846 177.584 0.063 0.000 1.154 67 A CA 1.490 53.539 52.037 0.020 0.000 0.679 67 A CB -0.516 18.490 19.000 0.010 0.000 0.795 67 A HN 0.284 nan 8.150 nan 0.000 0.458 68 G N -1.090 107.717 108.800 0.011 0.000 2.986 68 G HA2 0.363 4.321 3.960 -0.003 0.000 0.213 68 G HA3 0.363 4.321 3.960 -0.003 0.000 0.213 68 G C 0.569 175.452 174.900 -0.027 0.000 1.156 68 G CA -0.292 44.802 45.100 -0.009 0.000 0.763 68 G HN 0.377 nan 8.290 nan 0.000 0.547 69 L N -0.224 120.978 121.223 -0.034 0.000 2.475 69 L HA 0.436 4.774 4.340 -0.003 0.000 0.253 69 L C 2.115 178.955 176.870 -0.049 0.000 1.198 69 L CA -0.297 54.505 54.840 -0.062 0.000 0.814 69 L CB 0.609 42.613 42.059 -0.090 0.000 1.134 69 L HN 0.219 nan 8.230 nan 0.000 0.478 70 A N 2.567 125.325 122.820 -0.102 0.000 2.623 70 A HA -0.294 4.024 4.320 -0.003 0.000 0.260 70 A C -0.545 176.885 177.584 -0.257 0.000 1.768 70 A CA 2.614 54.558 52.037 -0.154 0.000 1.052 70 A CB -2.722 16.189 19.000 -0.149 0.000 0.464 70 A HN 0.810 nan 8.150 nan 0.000 0.414 71 P HA -0.182 nan 4.420 nan 0.000 0.215 71 P C 1.211 178.260 177.300 -0.418 0.000 1.163 71 P CA 2.146 64.918 63.100 -0.547 0.000 0.894 71 P CB -0.279 30.879 31.700 -0.904 0.000 0.791 72 Y N -0.460 119.819 120.300 -0.036 0.000 2.092 72 Y HA -0.029 4.519 4.550 -0.003 0.000 0.282 72 Y C 1.294 177.168 175.900 -0.043 0.000 1.126 72 Y CA 0.525 58.603 58.100 -0.038 0.000 1.111 72 Y CB -1.418 37.021 38.460 -0.035 0.000 0.987 72 Y HN -0.187 nan 8.280 nan 0.000 0.489 73 K N 0.368 120.828 120.400 0.100 0.000 3.077 73 K HA -0.195 4.123 4.320 -0.003 0.000 0.264 73 K C -0.526 176.087 176.600 0.022 0.000 1.008 73 K CA 0.425 56.728 56.287 0.028 0.000 0.740 73 K CB -2.425 30.069 32.500 -0.010 0.000 1.273 73 K HN 0.375 nan 8.250 nan 0.000 0.477 74 L N 0.519 121.765 121.223 0.037 0.000 2.475 74 L HA 0.355 4.694 4.340 -0.003 0.000 0.253 74 L C 1.118 177.973 176.870 -0.025 0.000 1.198 74 L CA -0.437 54.402 54.840 -0.001 0.000 0.814 74 L CB 0.421 42.474 42.059 -0.010 0.000 1.134 74 L HN 0.276 nan 8.230 nan 0.000 0.478 75 R N 0.745 121.217 120.500 -0.047 0.000 2.771 75 R HA 0.589 4.927 4.340 -0.003 0.000 0.274 75 R C -2.975 173.268 176.300 -0.096 0.000 0.987 75 R CA -1.930 54.129 56.100 -0.069 0.000 0.908 75 R CB 1.755 32.015 30.300 -0.066 0.000 1.213 75 R HN 0.224 nan 8.270 nan 0.000 0.468 76 P HA 0.011 nan 4.420 nan 0.000 0.276 76 P C 0.426 177.644 177.300 -0.137 0.000 1.230 76 P CA -0.437 62.540 63.100 -0.205 0.000 0.776 76 P CB 1.680 33.064 31.700 -0.527 0.000 0.888 77 V N -0.341 119.534 119.914 -0.065 0.000 3.539 77 V HA 0.654 4.773 4.120 -0.003 0.000 0.262 77 V C 0.402 176.499 176.094 0.004 0.000 1.381 77 V CA 0.386 62.657 62.300 -0.048 0.000 1.060 77 V CB -0.097 31.722 31.823 -0.006 0.000 0.842 77 V HN 0.597 nan 8.190 nan 0.000 0.445 78 A N 0.351 123.243 122.820 0.120 0.000 2.459 78 A HA 0.943 5.262 4.320 -0.003 0.000 0.296 78 A C -0.405 177.406 177.584 0.380 0.000 1.039 78 A CA 0.069 52.275 52.037 0.281 0.000 0.698 78 A CB 1.458 20.714 19.000 0.427 0.000 1.261 78 A HN 1.331 nan 8.150 nan 0.000 0.405 79 A N 1.719 124.800 122.820 0.436 0.000 2.306 79 A HA 0.740 5.058 4.320 -0.003 0.000 0.330 79 A C -0.035 177.767 177.584 0.364 0.000 1.146 79 A CA -0.535 51.770 52.037 0.447 0.000 0.827 79 A CB 0.472 19.790 19.000 0.529 0.000 1.178 79 A HN 0.807 nan 8.150 nan 0.000 0.490 80 E N 0.078 120.388 120.200 0.183 0.000 2.343 80 E HA 0.420 4.769 4.350 -0.003 0.000 0.269 80 E C -0.969 175.302 176.600 -0.549 0.000 1.047 80 E CA -0.408 55.882 56.400 -0.184 0.000 0.874 80 E CB 1.406 30.996 29.700 -0.183 0.000 1.033 80 E HN 0.333 nan 8.360 nan 0.000 0.409 81 V N 3.480 123.016 119.914 -0.630 0.000 2.435 81 V HA 0.298 4.416 4.120 -0.003 0.000 0.290 81 V C -0.884 174.830 176.094 -0.633 0.000 1.030 81 V CA -0.520 61.445 62.300 -0.558 0.000 0.881 81 V CB 0.291 31.938 31.823 -0.294 0.000 0.983 81 V HN 0.540 nan 8.190 nan 0.000 0.445 82 Y N 1.618 121.774 120.300 -0.239 0.000 2.805 82 Y HA 0.906 5.454 4.550 -0.003 0.000 0.321 82 Y C 1.048 176.810 175.900 -0.229 0.000 1.203 82 Y CA -0.198 57.737 58.100 -0.276 0.000 1.165 82 Y CB 0.703 38.988 38.460 -0.292 0.000 1.371 82 Y HN 0.904 nan 8.280 nan 0.000 0.564 83 G N 0.141 108.925 108.800 -0.026 0.000 2.498 83 G HA2 -0.011 3.947 3.960 -0.003 0.000 0.251 83 G HA3 -0.011 3.947 3.960 -0.003 0.000 0.251 83 G C -0.174 174.674 174.900 -0.086 0.000 1.170 83 G CA -0.024 45.033 45.100 -0.071 0.000 0.944 83 G HN 1.258 nan 8.290 nan 0.000 0.567 84 T N -2.809 111.702 114.554 -0.071 0.000 2.858 84 T HA 0.729 5.078 4.350 -0.003 0.000 0.285 84 T C 0.989 175.655 174.700 -0.058 0.000 1.052 84 T CA 0.543 62.602 62.100 -0.068 0.000 1.009 84 T CB 2.032 70.867 68.868 -0.055 0.000 1.241 84 T HN 0.646 nan 8.240 nan 0.000 0.542 85 E N -0.096 120.074 120.200 -0.049 0.000 2.150 85 E HA -0.075 4.274 4.350 -0.003 0.000 0.193 85 E C 2.135 178.720 176.600 -0.025 0.000 0.985 85 E CA 0.475 56.853 56.400 -0.037 0.000 0.814 85 E CB 0.036 29.718 29.700 -0.028 0.000 0.752 85 E HN 0.360 nan 8.360 nan 0.000 0.466 86 R N 0.933 121.419 120.500 -0.024 0.000 2.093 86 R HA -0.014 4.324 4.340 -0.003 0.000 0.224 86 R C 0.922 177.213 176.300 -0.014 0.000 1.101 86 R CA 0.846 56.937 56.100 -0.016 0.000 0.979 86 R CB -0.003 30.288 30.300 -0.016 0.000 0.877 86 R HN 0.374 nan 8.270 nan 0.000 0.441 87 Q N 0.527 120.315 119.800 -0.020 0.000 3.090 87 Q HA 0.429 4.768 4.340 -0.003 0.000 0.241 87 Q C -2.798 173.185 176.000 -0.028 0.000 0.958 87 Q CA -2.049 53.745 55.803 -0.014 0.000 0.715 87 Q CB 1.828 30.563 28.738 -0.005 0.000 1.298 87 Q HN -0.087 nan 8.270 nan 0.000 0.468 88 P HA 0.217 nan 4.420 nan 0.000 0.277 88 P C -0.856 176.402 177.300 -0.070 0.000 1.240 88 P CA -0.327 62.736 63.100 -0.062 0.000 0.798 88 P CB 0.670 32.338 31.700 -0.053 0.000 0.979 89 R N -1.132 119.292 120.500 -0.126 0.000 2.584 89 R HA 0.585 4.923 4.340 -0.003 0.000 0.276 89 R C -0.740 175.426 176.300 -0.224 0.000 1.046 89 R CA -0.774 55.217 56.100 -0.182 0.000 0.906 89 R CB 0.382 30.439 30.300 -0.406 0.000 1.215 89 R HN 0.345 nan 8.270 nan 0.000 0.449 90 T N -0.909 113.564 114.554 -0.135 0.000 3.218 90 T HA 0.249 4.598 4.350 -0.003 0.000 0.241 90 T C 0.060 174.759 174.700 -0.002 0.000 0.929 90 T CA -0.445 61.577 62.100 -0.130 0.000 0.979 90 T CB -0.794 68.005 68.868 -0.114 0.000 1.129 90 T HN 0.798 nan 8.240 nan 0.000 0.559 91 H N -0.909 118.147 119.070 -0.024 0.000 2.981 91 H HA 0.567 5.121 4.556 -0.003 0.000 0.327 91 H C -1.749 173.632 175.328 0.088 0.000 1.342 91 H CA -1.222 54.803 56.048 -0.037 0.000 1.123 91 H CB 0.972 30.591 29.762 -0.238 0.000 1.851 91 H HN 0.292 nan 8.280 nan 0.000 0.531 92 Y N -0.938 119.273 120.300 -0.149 0.000 2.728 92 Y HA 0.666 5.214 4.550 -0.003 0.000 0.330 92 Y C -2.040 173.615 175.900 -0.409 0.000 1.234 92 Y CA -1.507 56.424 58.100 -0.282 0.000 1.070 92 Y CB 0.968 39.272 38.460 -0.259 0.000 1.300 92 Y HN 0.514 nan 8.280 nan 0.000 0.467 93 Y N 0.734 121.042 120.300 0.014 0.000 2.393 93 Y HA 0.756 5.304 4.550 -0.003 0.000 0.341 93 Y C -0.046 175.857 175.900 0.006 0.000 0.988 93 Y CA -1.119 56.932 58.100 -0.082 0.000 1.078 93 Y CB 2.193 40.629 38.460 -0.040 0.000 1.203 93 Y HN 0.880 nan 8.280 nan 0.000 0.453 94 A N 3.375 126.269 122.820 0.123 0.000 2.276 94 A HA 0.688 5.007 4.320 -0.003 0.000 0.300 94 A C -0.341 177.377 177.584 0.224 0.000 1.235 94 A CA -0.450 51.685 52.037 0.163 0.000 0.867 94 A CB -0.266 18.779 19.000 0.075 0.000 1.137 94 A HN 0.698 nan 8.150 nan 0.000 0.527 95 V N -0.800 119.244 119.914 0.216 0.000 3.158 95 V HA 0.985 5.103 4.120 -0.003 0.000 0.315 95 V C 0.009 176.241 176.094 0.229 0.000 1.148 95 V CA -0.603 61.823 62.300 0.211 0.000 1.042 95 V CB 1.632 33.545 31.823 0.149 0.000 1.101 95 V HN 1.572 nan 8.190 nan 0.000 0.448 96 A N 1.212 124.145 122.820 0.189 0.000 2.340 96 A HA 0.804 5.122 4.320 -0.003 0.000 0.297 96 A C -0.785 176.804 177.584 0.008 0.000 1.195 96 A CA -0.542 51.560 52.037 0.109 0.000 0.769 96 A CB 1.097 20.236 19.000 0.231 0.000 1.163 96 A HN 1.157 nan 8.150 nan 0.000 0.472 97 V N 3.642 123.519 119.914 -0.060 0.000 2.427 97 V HA 0.635 4.753 4.120 -0.003 0.000 0.286 97 V C 0.411 176.508 176.094 0.005 0.000 1.034 97 V CA -0.224 62.069 62.300 -0.013 0.000 0.893 97 V CB 1.237 33.043 31.823 -0.028 0.000 0.982 97 V HN 1.039 nan 8.190 nan 0.000 0.452 98 V N 2.140 122.093 119.914 0.065 0.000 3.164 98 V HA 0.699 4.818 4.120 -0.003 0.000 0.313 98 V C -0.554 175.629 176.094 0.150 0.000 1.188 98 V CA -1.222 61.126 62.300 0.079 0.000 1.058 98 V CB 2.098 33.912 31.823 -0.014 0.000 1.110 98 V HN 0.702 nan 8.190 nan 0.000 0.453 99 K N 0.679 121.117 120.400 0.064 0.000 2.110 99 K HA 0.429 4.748 4.320 -0.003 0.000 0.263 99 K C -0.549 175.973 176.600 -0.129 0.000 0.975 99 K CA -0.704 55.546 56.287 -0.061 0.000 0.895 99 K CB 1.599 34.044 32.500 -0.091 0.000 1.060 99 K HN 0.712 nan 8.250 nan 0.000 0.448 100 K N 0.892 121.179 120.400 -0.188 0.000 2.412 100 K HA 0.076 4.395 4.320 -0.003 0.000 0.284 100 K C 0.451 176.971 176.600 -0.134 0.000 1.046 100 K CA 0.757 56.952 56.287 -0.153 0.000 0.999 100 K CB 0.309 32.717 32.500 -0.154 0.000 0.941 100 K HN 0.825 nan 8.250 nan 0.000 0.474 101 G N 2.757 111.486 108.800 -0.118 0.000 4.025 101 G HA2 -0.136 3.822 3.960 -0.003 0.000 0.195 101 G HA3 -0.136 3.822 3.960 -0.003 0.000 0.195 101 G C 0.453 175.304 174.900 -0.082 0.000 1.546 101 G CA -0.316 44.732 45.100 -0.087 0.000 1.007 101 G HN 0.883 nan 8.290 nan 0.000 0.388 102 G N 0.220 108.964 108.800 -0.094 0.000 2.750 102 G HA2 0.435 4.393 3.960 -0.003 0.000 0.250 102 G HA3 0.435 4.393 3.960 -0.003 0.000 0.250 102 G C 0.824 175.611 174.900 -0.188 0.000 1.230 102 G CA 1.135 46.188 45.100 -0.079 0.000 0.883 102 G HN 1.083 nan 8.290 nan 0.000 0.573 103 S N -0.901 114.727 115.700 -0.119 0.000 2.666 103 S HA 0.186 4.655 4.470 -0.003 0.000 0.239 103 S C 0.262 174.798 174.600 -0.106 0.000 1.031 103 S CA -0.539 57.591 58.200 -0.116 0.000 1.015 103 S CB 0.050 63.235 63.200 -0.025 0.000 0.981 103 S HN 0.613 nan 8.310 nan 0.000 0.547 104 F N 2.229 122.171 119.950 -0.013 0.000 2.496 104 F HA 0.651 5.176 4.527 -0.003 0.000 0.344 104 F C 0.361 176.157 175.800 -0.007 0.000 1.155 104 F CA -0.511 57.481 58.000 -0.013 0.000 1.302 104 F CB 0.424 39.414 39.000 -0.016 0.000 1.159 104 F HN -0.147 nan 8.300 nan 0.000 0.595 105 Q N 1.778 121.698 119.800 0.200 0.000 2.333 105 Q HA 0.288 4.627 4.340 -0.003 0.000 0.266 105 Q C 0.918 177.026 176.000 0.180 0.000 1.053 105 Q CA -0.893 54.977 55.803 0.112 0.000 0.890 105 Q CB 1.643 30.414 28.738 0.055 0.000 1.337 105 Q HN 0.911 nan 8.270 nan 0.000 0.474 106 L N 1.921 123.221 121.223 0.128 0.000 2.189 106 L HA -0.229 4.110 4.340 -0.003 0.000 0.214 106 L C 1.227 178.101 176.870 0.007 0.000 1.097 106 L CA 2.409 57.330 54.840 0.135 0.000 0.764 106 L CB -0.543 41.599 42.059 0.139 0.000 0.900 106 L HN 0.790 nan 8.230 nan 0.000 0.436 107 N N -2.094 116.565 118.700 -0.070 0.000 2.398 107 N HA -0.039 4.699 4.740 -0.003 0.000 0.188 107 N C 0.685 175.995 175.510 -0.333 0.000 1.122 107 N CA 0.354 53.176 53.050 -0.380 0.000 0.866 107 N CB -0.040 38.371 38.487 -0.126 0.000 0.970 107 N HN 0.469 nan 8.380 nan 0.000 0.462 108 E N 0.353 120.489 120.200 -0.106 0.000 2.651 108 E HA 0.172 4.521 4.350 -0.003 0.000 0.208 108 E C 0.575 177.111 176.600 -0.108 0.000 0.997 108 E CA -0.169 56.190 56.400 -0.069 0.000 1.020 108 E CB 0.363 30.090 29.700 0.044 0.000 1.052 108 E HN 0.409 nan 8.360 nan 0.000 0.465 109 L N 0.735 121.908 121.223 -0.083 0.000 2.610 109 L HA 0.010 4.348 4.340 -0.003 0.000 0.232 109 L C 1.293 177.909 176.870 -0.424 0.000 1.149 109 L CA 0.439 55.225 54.840 -0.090 0.000 0.872 109 L CB -0.193 42.021 42.059 0.259 0.000 0.992 109 L HN 0.238 nan 8.230 nan 0.000 0.447 110 Q N 0.625 120.041 119.800 -0.640 0.000 2.274 110 Q HA 0.077 4.415 4.340 -0.003 0.000 0.280 110 Q C 1.153 176.778 176.000 -0.626 0.000 1.047 110 Q CA 1.038 56.159 55.803 -1.136 0.000 0.907 110 Q CB 0.596 28.926 28.738 -0.681 0.000 1.171 110 Q HN 0.435 nan 8.270 nan 0.000 0.381 111 G N 2.620 111.067 108.800 -0.588 0.000 2.199 111 G HA2 -0.262 3.696 3.960 -0.003 0.000 0.254 111 G HA3 -0.262 3.696 3.960 -0.003 0.000 0.254 111 G C -0.199 174.611 174.900 -0.150 0.000 0.982 111 G CA 0.167 45.105 45.100 -0.271 0.000 0.632 111 G HN 0.478 nan 8.290 nan 0.000 0.529 112 L N -0.096 121.045 121.223 -0.137 0.000 2.490 112 L HA 0.761 5.099 4.340 -0.003 0.000 0.245 112 L C 0.712 177.641 176.870 0.098 0.000 1.185 112 L CA -0.338 54.455 54.840 -0.078 0.000 0.813 112 L CB 0.573 42.498 42.059 -0.223 0.000 1.233 112 L HN 0.104 nan 8.230 nan 0.000 0.489 113 K N -0.458 119.945 120.400 0.005 0.000 2.206 113 K HA 0.528 4.847 4.320 -0.003 0.000 0.264 113 K C -0.795 175.718 176.600 -0.146 0.000 0.967 113 K CA -0.253 56.026 56.287 -0.013 0.000 0.844 113 K CB 1.370 33.860 32.500 -0.017 0.000 1.099 113 K HN 0.662 nan 8.250 nan 0.000 0.441 114 S N 0.820 116.349 115.700 -0.285 0.000 2.607 114 S HA 0.664 5.133 4.470 -0.003 0.000 0.303 114 S C -0.647 173.845 174.600 -0.181 0.000 1.086 114 S CA -0.846 57.097 58.200 -0.429 0.000 0.995 114 S CB 1.093 63.734 63.200 -0.931 0.000 1.084 114 S HN 0.527 nan 8.310 nan 0.000 0.507 115 c N 2.820 121.260 118.600 -0.267 0.000 2.364 115 c HA 0.649 5.218 4.570 -0.003 0.000 0.324 115 c C -0.294 173.718 174.090 -0.129 0.000 1.234 115 c CA -0.599 55.667 56.329 -0.105 0.000 1.417 115 c CB -0.296 42.103 42.510 -0.185 0.000 2.101 115 c HN 0.919 nan 8.230 nan 0.000 0.466 116 H N 0.939 120.085 119.070 0.127 0.000 2.621 116 H HA 0.289 4.843 4.556 -0.003 0.000 0.360 116 H C 0.885 176.282 175.328 0.115 0.000 1.163 116 H CA -0.125 56.049 56.048 0.209 0.000 1.194 116 H CB 2.061 32.011 29.762 0.313 0.000 1.649 116 H HN 0.689 nan 8.280 nan 0.000 0.532 117 T N -0.142 114.517 114.554 0.175 0.000 2.821 117 T HA 0.132 4.481 4.350 -0.003 0.000 0.267 117 T C 1.012 175.655 174.700 -0.096 0.000 1.046 117 T CA 0.691 62.741 62.100 -0.083 0.000 1.139 117 T CB 0.141 68.841 68.868 -0.279 0.000 0.871 117 T HN 0.792 nan 8.240 nan 0.000 0.454 118 G N 0.351 109.219 108.800 0.114 0.000 2.404 118 G HA2 0.432 4.390 3.960 -0.003 0.000 0.298 118 G HA3 0.432 4.390 3.960 -0.003 0.000 0.298 118 G C -1.712 173.359 174.900 0.284 0.000 1.577 118 G CA -0.908 44.304 45.100 0.187 0.000 0.847 118 G HN 0.436 nan 8.290 nan 0.000 0.598 119 L N 1.293 122.646 121.223 0.217 0.000 2.490 119 L HA 0.560 4.899 4.340 -0.003 0.000 0.274 119 L C 1.683 178.526 176.870 -0.044 0.000 1.201 119 L CA 1.050 55.742 54.840 -0.246 0.000 0.869 119 L CB 0.020 41.842 42.059 -0.394 0.000 1.123 119 L HN 0.894 nan 8.230 nan 0.000 0.484 120 R N 1.191 121.536 120.500 -0.258 0.000 3.922 120 R HA -0.164 4.175 4.340 -0.003 0.000 0.447 120 R C -0.181 176.141 176.300 0.036 0.000 1.035 120 R CA 0.966 57.010 56.100 -0.093 0.000 1.289 120 R CB -0.888 29.211 30.300 -0.336 0.000 1.906 120 R HN 0.665 nan 8.270 nan 0.000 0.540 121 R N -0.049 120.610 120.500 0.265 0.000 2.560 121 R HA 0.190 4.528 4.340 -0.003 0.000 0.270 121 R C 1.205 177.693 176.300 0.314 0.000 1.074 121 R CA -0.019 56.265 56.100 0.307 0.000 1.140 121 R CB 0.518 30.992 30.300 0.290 0.000 1.073 121 R HN -0.049 nan 8.270 nan 0.000 0.527 122 T N 1.728 116.485 114.554 0.338 0.000 2.569 122 T HA -0.220 4.129 4.350 -0.003 0.000 0.263 122 T C 1.804 176.631 174.700 0.211 0.000 1.074 122 T CA 2.193 64.474 62.100 0.303 0.000 1.176 122 T CB -0.219 68.828 68.868 0.297 0.000 0.863 122 T HN 0.751 nan 8.240 nan 0.000 0.410 123 A N 0.772 123.758 122.820 0.276 0.000 2.014 123 A HA 0.267 4.586 4.320 -0.003 0.000 0.218 123 A C 2.475 180.209 177.584 0.249 0.000 1.163 123 A CA 1.570 53.764 52.037 0.262 0.000 0.652 123 A CB -0.923 18.336 19.000 0.432 0.000 0.808 123 A HN 0.539 nan 8.150 nan 0.000 0.449 124 G N -2.756 106.204 108.800 0.266 0.000 2.603 124 G HA2 0.021 3.979 3.960 -0.003 0.000 0.214 124 G HA3 0.021 3.979 3.960 -0.003 0.000 0.214 124 G C 1.225 176.403 174.900 0.465 0.000 1.140 124 G CA 0.804 46.102 45.100 0.329 0.000 0.800 124 G HN 0.601 nan 8.290 nan 0.000 0.533 125 W N -0.098 121.282 121.300 0.133 0.000 4.712 125 W HA 0.056 4.715 4.660 -0.003 0.000 0.191 125 W C 1.492 178.012 176.519 0.002 0.000 1.193 125 W CA 0.200 57.589 57.345 0.074 0.000 2.258 125 W CB -0.237 29.253 29.460 0.050 0.000 0.953 125 W HN 0.049 nan 8.180 nan 0.000 0.923 126 N N 1.464 120.266 118.700 0.170 0.000 2.037 126 N HA -0.191 4.548 4.740 -0.003 0.000 0.196 126 N C 1.540 177.021 175.510 -0.047 0.000 1.034 126 N CA 2.470 55.557 53.050 0.062 0.000 0.861 126 N CB -0.993 37.647 38.487 0.255 0.000 1.039 126 N HN 0.027 nan 8.380 nan 0.000 0.427 127 V N 2.203 122.103 119.914 -0.024 0.000 2.283 127 V HA -0.101 4.017 4.120 -0.003 0.000 0.243 127 V C -0.680 175.314 176.094 -0.166 0.000 1.039 127 V CA 1.674 63.931 62.300 -0.071 0.000 1.016 127 V CB -1.399 30.388 31.823 -0.059 0.000 0.650 127 V HN 0.283 nan 8.190 nan 0.000 0.449 128 P HA -0.131 nan 4.420 nan 0.000 0.216 128 P C 1.776 178.807 177.300 -0.449 0.000 1.153 128 P CA 1.502 64.298 63.100 -0.507 0.000 0.848 128 P CB -0.048 30.944 31.700 -1.180 0.000 0.787 129 I N 0.091 120.341 120.570 -0.533 0.000 2.439 129 I HA -0.065 4.104 4.170 -0.003 0.000 0.251 129 I C 2.620 178.517 176.117 -0.367 0.000 1.139 129 I CA 1.482 62.443 61.300 -0.566 0.000 1.438 129 I CB -2.130 35.282 38.000 -0.980 0.000 1.085 129 I HN 0.005 nan 8.210 nan 0.000 0.427 130 G N 0.195 108.830 108.800 -0.275 0.000 2.408 130 G HA2 -0.190 3.768 3.960 -0.003 0.000 0.217 130 G HA3 -0.190 3.768 3.960 -0.003 0.000 0.217 130 G C 1.638 176.462 174.900 -0.126 0.000 1.150 130 G CA 1.184 46.184 45.100 -0.166 0.000 0.776 130 G HN 0.340 nan 8.290 nan 0.000 0.542 131 T N 0.993 115.478 114.554 -0.115 0.000 2.942 131 T HA 0.091 4.439 4.350 -0.003 0.000 0.265 131 T C 2.204 176.897 174.700 -0.011 0.000 1.062 131 T CA 0.425 62.497 62.100 -0.046 0.000 1.139 131 T CB -0.028 68.831 68.868 -0.015 0.000 0.883 131 T HN 0.136 nan 8.240 nan 0.000 0.468 132 L N 0.401 121.588 121.223 -0.059 0.000 2.509 132 L HA 0.248 4.586 4.340 -0.003 0.000 0.222 132 L C 2.608 179.405 176.870 -0.121 0.000 1.123 132 L CA 0.076 54.927 54.840 0.018 0.000 0.856 132 L CB -0.332 41.639 42.059 -0.146 0.000 0.985 132 L HN 0.123 nan 8.230 nan 0.000 0.456 133 R N 1.358 121.748 120.500 -0.184 0.000 2.140 133 R HA -0.204 4.135 4.340 -0.003 0.000 0.250 133 R C -0.520 175.657 176.300 -0.205 0.000 1.150 133 R CA 2.165 58.158 56.100 -0.179 0.000 0.966 133 R CB -1.127 29.104 30.300 -0.115 0.000 0.869 133 R HN 0.256 nan 8.270 nan 0.000 0.445 134 P HA -0.147 nan 4.420 nan 0.000 0.222 134 P C 0.490 177.499 177.300 -0.485 0.000 1.147 134 P CA 1.320 64.154 63.100 -0.442 0.000 0.790 134 P CB -0.099 31.233 31.700 -0.613 0.000 0.780 135 F N -1.056 118.800 119.950 -0.157 0.000 2.754 135 F HA 0.179 4.704 4.527 -0.003 0.000 0.297 135 F C 2.256 177.919 175.800 -0.227 0.000 1.122 135 F CA 0.295 58.200 58.000 -0.158 0.000 1.400 135 F CB -0.853 38.033 39.000 -0.190 0.000 1.117 135 F HN -0.236 nan 8.300 nan 0.000 0.587 136 L N -0.143 120.988 121.223 -0.154 0.000 2.418 136 L HA -0.018 4.321 4.340 -0.003 0.000 0.218 136 L C 0.444 177.350 176.870 0.059 0.000 1.125 136 L CA 0.254 55.018 54.840 -0.127 0.000 0.835 136 L CB -0.551 41.402 42.059 -0.177 0.000 0.953 136 L HN 0.178 nan 8.230 nan 0.000 0.454 137 N N -1.038 117.702 118.700 0.066 0.000 2.721 137 N HA -0.239 4.499 4.740 -0.003 0.000 0.249 137 N C -0.437 175.163 175.510 0.150 0.000 1.072 137 N CA 0.735 53.837 53.050 0.086 0.000 0.710 137 N CB -1.489 37.053 38.487 0.091 0.000 0.993 137 N HN 0.448 nan 8.380 nan 0.000 0.547 138 W N 1.897 123.171 121.300 -0.043 0.000 2.266 138 W HA 0.280 4.939 4.660 -0.003 0.000 0.317 138 W C 1.579 178.084 176.519 -0.024 0.000 1.310 138 W CA 0.250 57.578 57.345 -0.028 0.000 1.207 138 W CB 0.413 29.845 29.460 -0.046 0.000 1.199 138 W HN 0.169 nan 8.180 nan 0.000 0.544 139 T N 2.775 117.118 114.554 -0.352 0.000 3.081 139 T HA 0.453 4.802 4.350 -0.003 0.000 0.255 139 T C 0.861 175.102 174.700 -0.766 0.000 1.113 139 T CA 0.506 62.346 62.100 -0.432 0.000 1.082 139 T CB -0.449 68.291 68.868 -0.212 0.000 0.939 139 T HN 1.237 nan 8.240 nan 0.000 0.506 140 G N 1.428 109.255 108.800 -1.623 0.000 2.408 140 G HA2 0.078 4.036 3.960 -0.003 0.000 0.682 140 G HA3 0.078 4.036 3.960 -0.003 0.000 0.682 140 G C -2.492 172.011 174.900 -0.661 0.000 1.303 140 G CA -0.489 43.735 45.100 -1.461 0.000 0.966 140 G HN -0.075 nan 8.290 nan 0.000 0.560 141 P HA -0.119 nan 4.420 nan 0.000 0.219 141 P C -0.869 176.510 177.300 0.132 0.000 1.158 141 P CA 2.729 65.878 63.100 0.081 0.000 0.895 141 P CB -0.597 31.119 31.700 0.026 0.000 0.792 142 P HA -0.173 nan 4.420 nan 0.000 0.214 142 P C 0.505 177.904 177.300 0.166 0.000 1.169 142 P CA 1.192 64.344 63.100 0.087 0.000 0.908 142 P CB -0.470 31.255 31.700 0.042 0.000 0.791 143 E N 0.678 120.998 120.200 0.200 0.000 2.265 143 E HA 0.097 4.445 4.350 -0.003 0.000 0.272 143 E C -2.217 174.704 176.600 0.534 0.000 1.067 143 E CA -2.162 54.436 56.400 0.330 0.000 0.900 143 E CB 0.159 30.055 29.700 0.327 0.000 1.017 143 E HN 0.078 nan 8.360 nan 0.000 0.431 144 P HA -0.047 nan 4.420 nan 0.000 0.267 144 P C 0.468 177.747 177.300 -0.034 0.000 1.200 144 P CA 0.149 63.374 63.100 0.207 0.000 0.772 144 P CB 0.612 32.425 31.700 0.187 0.000 0.855 145 I N 1.649 121.944 120.570 -0.457 0.000 2.454 145 I HA -0.281 3.888 4.170 -0.003 0.000 0.254 145 I C 1.564 177.381 176.117 -0.500 0.000 1.156 145 I CA 1.609 62.284 61.300 -1.042 0.000 1.433 145 I CB 0.056 37.392 38.000 -1.107 0.000 1.082 145 I HN 0.361 nan 8.210 nan 0.000 0.432 146 E N 0.956 120.936 120.200 -0.366 0.000 2.058 146 E HA -0.256 4.092 4.350 -0.003 0.000 0.194 146 E C 2.234 178.625 176.600 -0.349 0.000 0.997 146 E CA 1.610 57.749 56.400 -0.434 0.000 0.801 146 E CB -0.529 28.457 29.700 -1.190 0.000 0.746 146 E HN 0.580 nan 8.360 nan 0.000 0.450 147 A N 1.009 123.688 122.820 -0.235 0.000 1.903 147 A HA -0.240 4.078 4.320 -0.003 0.000 0.219 147 A C 2.383 180.040 177.584 0.122 0.000 1.191 147 A CA 2.399 54.542 52.037 0.177 0.000 0.638 147 A CB -1.032 18.169 19.000 0.335 0.000 0.823 147 A HN 0.311 nan 8.150 nan 0.000 0.451 148 A N -1.042 121.795 122.820 0.029 0.000 2.015 148 A HA 0.120 4.439 4.320 -0.003 0.000 0.219 148 A C 2.137 179.743 177.584 0.038 0.000 1.163 148 A CA 1.544 53.613 52.037 0.053 0.000 0.646 148 A CB -0.606 18.398 19.000 0.008 0.000 0.806 148 A HN 0.405 nan 8.150 nan 0.000 0.448 149 V N -0.366 119.544 119.914 -0.006 0.000 2.548 149 V HA -0.148 3.971 4.120 -0.003 0.000 0.249 149 V C 2.941 179.173 176.094 0.230 0.000 1.055 149 V CA 1.505 63.858 62.300 0.088 0.000 1.065 149 V CB -0.939 30.934 31.823 0.083 0.000 0.681 149 V HN 0.575 nan 8.190 nan 0.000 0.462 150 A N 0.270 123.204 122.820 0.190 0.000 2.019 150 A HA -0.185 4.133 4.320 -0.003 0.000 0.219 150 A C 2.348 180.057 177.584 0.207 0.000 1.164 150 A CA 1.525 53.699 52.037 0.229 0.000 0.644 150 A CB -0.364 18.788 19.000 0.253 0.000 0.805 150 A HN 0.553 nan 8.150 nan 0.000 0.449 151 R N -2.632 117.978 120.500 0.184 0.000 2.210 151 R HA 0.142 4.481 4.340 -0.003 0.000 0.203 151 R C 1.769 178.151 176.300 0.137 0.000 1.010 151 R CA 0.739 56.929 56.100 0.150 0.000 1.008 151 R CB -0.238 30.148 30.300 0.143 0.000 0.923 151 R HN 0.539 nan 8.270 nan 0.000 0.469 152 F N 0.868 120.800 119.950 -0.030 0.000 2.118 152 F HA 0.071 4.597 4.527 -0.003 0.000 0.293 152 F C 0.348 176.024 175.800 -0.207 0.000 1.102 152 F CA 0.697 58.589 58.000 -0.181 0.000 1.247 152 F CB 0.112 38.897 39.000 -0.357 0.000 1.017 152 F HN -0.271 nan 8.300 nan 0.000 0.475 153 F N 0.798 120.831 119.950 0.139 0.000 2.404 153 F HA 0.201 4.726 4.527 -0.003 0.000 0.345 153 F C 1.738 177.555 175.800 0.028 0.000 1.110 153 F CA -0.209 57.814 58.000 0.038 0.000 1.130 153 F CB 0.982 40.093 39.000 0.184 0.000 1.129 153 F HN -0.027 nan 8.300 nan 0.000 0.500 154 S N 2.228 118.021 115.700 0.156 0.000 2.399 154 S HA 0.177 4.645 4.470 -0.003 0.000 0.231 154 S C 0.622 175.299 174.600 0.129 0.000 1.022 154 S CA 0.667 58.925 58.200 0.096 0.000 0.983 154 S CB -0.196 63.029 63.200 0.041 0.000 0.803 154 S HN 0.805 nan 8.310 nan 0.000 0.480 155 A N -0.387 122.527 122.820 0.157 0.000 2.589 155 A HA 0.728 5.046 4.320 -0.003 0.000 0.296 155 A C -0.560 177.104 177.584 0.133 0.000 1.062 155 A CA -0.566 51.553 52.037 0.138 0.000 0.686 155 A CB 1.358 20.414 19.000 0.094 0.000 1.282 155 A HN 0.390 nan 8.150 nan 0.000 0.404 156 S N -0.763 115.022 115.700 0.141 0.000 2.705 156 S HA 0.696 5.164 4.470 -0.003 0.000 0.280 156 S C -1.199 173.497 174.600 0.159 0.000 1.174 156 S CA -0.490 57.792 58.200 0.136 0.000 0.823 156 S CB 1.448 64.752 63.200 0.175 0.000 1.162 156 S HN 1.767 nan 8.310 nan 0.000 0.487 157 c N 2.244 120.965 118.600 0.202 0.000 2.386 157 c HA 0.748 5.316 4.570 -0.003 0.000 0.318 157 c C -1.016 173.217 174.090 0.238 0.000 1.128 157 c CA -0.169 56.288 56.329 0.212 0.000 1.438 157 c CB -1.162 41.495 42.510 0.246 0.000 1.987 157 c HN 0.608 nan 8.230 nan 0.000 0.426 158 V N 8.167 128.174 119.914 0.154 0.000 2.266 158 V HA 0.307 4.425 4.120 -0.003 0.000 0.266 158 V C -2.177 173.977 176.094 0.100 0.000 1.036 158 V CA -1.323 61.032 62.300 0.093 0.000 0.828 158 V CB 0.824 32.597 31.823 -0.083 0.000 1.081 158 V HN 0.715 nan 8.190 nan 0.000 0.449 159 P HA 0.124 nan 4.420 nan 0.000 0.259 159 P C 1.166 178.629 177.300 0.272 0.000 1.163 159 P CA 1.889 65.105 63.100 0.194 0.000 0.760 159 P CB 0.486 32.352 31.700 0.277 0.000 0.762 160 G N 2.002 110.938 108.800 0.227 0.000 2.213 160 G HA2 -0.181 3.777 3.960 -0.003 0.000 0.236 160 G HA3 -0.181 3.777 3.960 -0.003 0.000 0.236 160 G C 0.488 175.431 174.900 0.073 0.000 0.991 160 G CA -0.045 45.193 45.100 0.230 0.000 0.629 160 G HN 0.836 nan 8.290 nan 0.000 0.517 161 A N 0.081 122.921 122.820 0.033 0.000 2.406 161 A HA 0.503 4.822 4.320 -0.003 0.000 0.243 161 A C 0.314 177.962 177.584 0.107 0.000 1.082 161 A CA 0.788 52.832 52.037 0.012 0.000 0.786 161 A CB 0.174 19.166 19.000 -0.013 0.000 1.029 161 A HN 0.569 nan 8.150 nan 0.000 0.495 162 D N 0.087 120.612 120.400 0.208 0.000 2.367 162 D HA 0.153 4.791 4.640 -0.003 0.000 0.255 162 D C 1.400 177.773 176.300 0.122 0.000 1.300 162 D CA 0.218 54.309 54.000 0.150 0.000 0.959 162 D CB 0.426 41.308 40.800 0.137 0.000 1.064 162 D HN 0.540 nan 8.370 nan 0.000 0.509 163 K N 1.930 122.374 120.400 0.073 0.000 2.362 163 K HA -0.037 4.281 4.320 -0.003 0.000 0.200 163 K C 1.639 178.243 176.600 0.006 0.000 1.046 163 K CA 0.895 57.218 56.287 0.060 0.000 0.952 163 K CB 0.212 32.742 32.500 0.049 0.000 0.753 163 K HN 0.355 nan 8.250 nan 0.000 0.466 164 G N 0.720 109.498 108.800 -0.036 0.000 2.408 164 G HA2 -0.168 3.790 3.960 -0.003 0.000 0.215 164 G HA3 -0.168 3.790 3.960 -0.003 0.000 0.215 164 G C 1.404 176.210 174.900 -0.155 0.000 1.156 164 G CA 0.143 45.201 45.100 -0.071 0.000 0.793 164 G HN 0.306 nan 8.290 nan 0.000 0.535 165 Q N -0.988 118.633 119.800 -0.299 0.000 2.250 165 Q HA 0.138 4.476 4.340 -0.003 0.000 0.200 165 Q C -0.043 175.474 176.000 -0.805 0.000 0.941 165 Q CA 0.454 55.855 55.803 -0.670 0.000 0.872 165 Q CB 0.339 28.401 28.738 -1.128 0.000 0.965 165 Q HN 0.521 nan 8.270 nan 0.000 0.480 166 F N -0.625 119.344 119.950 0.033 0.000 2.542 166 F HA 0.331 4.856 4.527 -0.003 0.000 0.323 166 F C -2.026 173.804 175.800 0.051 0.000 1.411 166 F CA -2.251 55.777 58.000 0.047 0.000 1.124 166 F CB 0.973 39.999 39.000 0.044 0.000 1.331 166 F HN -0.059 nan 8.300 nan 0.000 0.560 167 P HA -0.156 nan 4.420 nan 0.000 0.217 167 P C 1.474 178.851 177.300 0.129 0.000 1.148 167 P CA 1.338 64.500 63.100 0.104 0.000 0.828 167 P CB 0.335 32.074 31.700 0.064 0.000 0.783 168 N N -0.809 117.985 118.700 0.158 0.000 2.223 168 N HA -0.082 4.656 4.740 -0.003 0.000 0.185 168 N C 1.399 177.012 175.510 0.171 0.000 1.016 168 N CA 0.893 54.039 53.050 0.160 0.000 0.863 168 N CB -0.800 37.794 38.487 0.179 0.000 0.983 168 N HN 0.149 nan 8.380 nan 0.000 0.429 169 L N -1.107 120.229 121.223 0.189 0.000 2.610 169 L HA 0.012 4.350 4.340 -0.003 0.000 0.232 169 L C 0.898 177.850 176.870 0.136 0.000 1.149 169 L CA 0.252 55.188 54.840 0.161 0.000 0.872 169 L CB -0.029 42.112 42.059 0.137 0.000 0.992 169 L HN 0.234 nan 8.230 nan 0.000 0.447 170 c N -1.959 116.719 118.600 0.131 0.000 3.559 170 c HA 0.161 4.730 4.570 -0.003 0.000 0.314 170 c C 2.476 176.630 174.090 0.106 0.000 1.419 170 c CA -0.592 55.804 56.329 0.113 0.000 1.775 170 c CB 0.191 42.758 42.510 0.094 0.000 2.430 170 c HN 0.398 nan 8.230 nan 0.000 0.686 171 R N 2.024 122.589 120.500 0.109 0.000 2.122 171 R HA -0.100 4.239 4.340 -0.003 0.000 0.236 171 R C 1.716 178.077 176.300 0.103 0.000 1.129 171 R CA 1.914 58.072 56.100 0.096 0.000 0.925 171 R CB -0.820 29.538 30.300 0.097 0.000 0.850 171 R HN 0.503 nan 8.270 nan 0.000 0.431 172 L N -0.194 121.106 121.223 0.127 0.000 2.465 172 L HA 0.010 4.348 4.340 -0.003 0.000 0.224 172 L C 0.592 177.607 176.870 0.242 0.000 1.145 172 L CA -0.270 54.668 54.840 0.164 0.000 0.834 172 L CB -0.341 41.806 42.059 0.146 0.000 0.944 172 L HN 0.150 nan 8.230 nan 0.000 0.451 173 c N 0.857 119.575 118.600 0.197 0.000 2.657 173 c HA 0.174 4.742 4.570 -0.003 0.000 0.420 173 c C 1.785 175.880 174.090 0.008 0.000 1.323 173 c CA 0.036 56.474 56.329 0.181 0.000 1.894 173 c CB 0.534 43.119 42.510 0.126 0.000 2.681 173 c HN 0.541 nan 8.230 nan 0.000 0.613 174 A N 2.522 125.198 122.820 -0.241 0.000 2.308 174 A HA 0.430 4.749 4.320 -0.003 0.000 0.217 174 A C 1.202 178.654 177.584 -0.220 0.000 1.216 174 A CA 0.509 52.327 52.037 -0.365 0.000 0.864 174 A CB -0.488 17.992 19.000 -0.867 0.000 0.902 174 A HN 1.066 nan 8.150 nan 0.000 0.499 175 G N -0.398 108.322 108.800 -0.134 0.000 2.630 175 G HA2 0.368 4.326 3.960 -0.003 0.000 0.236 175 G HA3 0.368 4.326 3.960 -0.003 0.000 0.236 175 G C -0.147 174.713 174.900 -0.067 0.000 1.248 175 G CA 0.258 45.306 45.100 -0.088 0.000 0.844 175 G HN 0.157 nan 8.290 nan 0.000 0.588 176 T N 0.926 115.448 114.554 -0.054 0.000 2.749 176 T HA 0.516 4.864 4.350 -0.003 0.000 0.287 176 T C 1.349 176.032 174.700 -0.028 0.000 0.970 176 T CA 0.836 62.912 62.100 -0.039 0.000 0.980 176 T CB 0.937 69.783 68.868 -0.037 0.000 0.924 176 T HN 1.539 nan 8.240 nan 0.000 0.456 177 G N 3.946 112.733 108.800 -0.021 0.000 2.793 177 G HA2 -0.320 3.638 3.960 -0.003 0.000 0.334 177 G HA3 -0.320 3.638 3.960 -0.003 0.000 0.334 177 G C 0.931 175.823 174.900 -0.014 0.000 1.186 177 G CA 0.445 45.536 45.100 -0.015 0.000 0.960 177 G HN 0.645 nan 8.290 nan 0.000 0.562 178 E N 1.574 121.765 120.200 -0.015 0.000 2.447 178 E HA 0.057 4.406 4.350 -0.003 0.000 0.195 178 E C 1.791 178.379 176.600 -0.020 0.000 1.028 178 E CA 0.240 56.631 56.400 -0.015 0.000 0.876 178 E CB -0.055 29.636 29.700 -0.014 0.000 0.885 178 E HN 0.491 nan 8.360 nan 0.000 0.500 179 N N 1.284 119.968 118.700 -0.027 0.000 2.398 179 N HA -0.041 4.698 4.740 -0.003 0.000 0.188 179 N C 0.444 175.932 175.510 -0.036 0.000 1.122 179 N CA 0.176 53.203 53.050 -0.038 0.000 0.866 179 N CB 0.188 38.648 38.487 -0.044 0.000 0.970 179 N HN -0.027 nan 8.380 nan 0.000 0.462 180 K N 0.580 120.966 120.400 -0.023 0.000 2.378 180 K HA 0.062 4.381 4.320 -0.003 0.000 0.288 180 K C 0.382 176.986 176.600 0.007 0.000 1.057 180 K CA 0.102 56.382 56.287 -0.012 0.000 0.971 180 K CB -0.176 32.322 32.500 -0.004 0.000 0.975 180 K HN 0.173 nan 8.250 nan 0.000 0.475 181 c N 3.142 121.754 118.600 0.021 0.000 4.507 181 c HA -0.165 4.404 4.570 -0.003 0.000 0.285 181 c C 0.393 174.500 174.090 0.029 0.000 1.335 181 c CA 0.293 56.651 56.329 0.048 0.000 1.953 181 c CB -2.376 40.169 42.510 0.060 0.000 1.262 181 c HN 0.879 nan 8.230 nan 0.000 0.776 182 A N -0.168 122.638 122.820 -0.023 0.000 2.354 182 A HA 0.609 4.928 4.320 -0.003 0.000 0.269 182 A C -0.207 177.272 177.584 -0.174 0.000 1.109 182 A CA -0.077 51.923 52.037 -0.063 0.000 0.800 182 A CB 0.099 19.044 19.000 -0.092 0.000 1.045 182 A HN 0.986 nan 8.150 nan 0.000 0.489 183 F N 3.366 123.131 119.950 -0.309 0.000 2.666 183 F HA 0.350 4.875 4.527 -0.003 0.000 0.362 183 F C 0.859 176.102 175.800 -0.929 0.000 1.190 183 F CA 0.864 58.543 58.000 -0.535 0.000 1.328 183 F CB -0.434 38.446 39.000 -0.200 0.000 1.682 183 F HN 0.642 nan 8.300 nan 0.000 0.623 184 S N -1.224 113.739 115.700 -1.228 0.000 2.636 184 S HA 0.229 4.698 4.470 -0.003 0.000 0.268 184 S C 0.564 174.787 174.600 -0.629 0.000 1.159 184 S CA -0.224 57.465 58.200 -0.853 0.000 0.815 184 S CB 0.857 63.872 63.200 -0.308 0.000 1.130 184 S HN 0.150 nan 8.310 nan 0.000 0.471 185 S N 0.079 115.682 115.700 -0.162 0.000 2.555 185 S HA -0.055 4.414 4.470 -0.003 0.000 0.230 185 S C 1.353 175.948 174.600 -0.008 0.000 0.978 185 S CA 0.393 58.624 58.200 0.053 0.000 0.934 185 S CB -0.486 62.773 63.200 0.099 0.000 0.766 185 S HN 0.585 nan 8.310 nan 0.000 0.533 186 Q N 1.243 120.998 119.800 -0.074 0.000 2.170 186 Q HA 0.051 4.389 4.340 -0.003 0.000 0.203 186 Q C 0.749 176.716 176.000 -0.056 0.000 0.976 186 Q CA 1.167 56.936 55.803 -0.057 0.000 0.858 186 Q CB -0.398 28.299 28.738 -0.068 0.000 0.907 186 Q HN 0.765 nan 8.270 nan 0.000 0.433 187 E N 2.070 122.227 120.200 -0.072 0.000 2.105 187 E HA 0.054 4.403 4.350 -0.003 0.000 0.285 187 E C -1.840 174.782 176.600 0.037 0.000 1.055 187 E CA -2.116 54.263 56.400 -0.035 0.000 0.843 187 E CB 0.997 30.681 29.700 -0.027 0.000 1.067 187 E HN -0.078 nan 8.360 nan 0.000 0.398 188 P HA -0.157 nan 4.420 nan 0.000 0.222 188 P C 0.035 177.456 177.300 0.202 0.000 1.147 188 P CA 0.929 64.040 63.100 0.018 0.000 0.790 188 P CB 0.103 31.730 31.700 -0.122 0.000 0.780 189 Y N -1.220 119.130 120.300 0.083 0.000 2.583 189 Y HA 0.279 4.828 4.550 -0.003 0.000 0.294 189 Y C 0.790 176.762 175.900 0.120 0.000 1.170 189 Y CA -2.020 56.128 58.100 0.080 0.000 1.265 189 Y CB -1.235 37.263 38.460 0.065 0.000 1.119 189 Y HN -0.127 nan 8.280 nan 0.000 0.522 190 F N 0.048 120.058 119.950 0.100 0.000 2.379 190 F HA 0.523 5.048 4.527 -0.003 0.000 0.332 190 F C 0.943 176.712 175.800 -0.051 0.000 1.096 190 F CA -0.275 57.709 58.000 -0.027 0.000 1.105 190 F CB 0.859 39.800 39.000 -0.099 0.000 1.189 190 F HN -0.009 nan 8.300 nan 0.000 0.515 191 S N 3.123 118.221 115.700 -1.002 0.000 3.756 191 S HA -0.290 4.178 4.470 -0.003 0.000 0.640 191 S C 0.665 175.044 174.600 -0.369 0.000 2.059 191 S CA 0.462 58.123 58.200 -0.898 0.000 2.224 191 S CB -0.990 61.689 63.200 -0.868 0.000 0.327 191 S HN 0.799 nan 8.310 nan 0.000 1.789 192 Y N 1.007 121.196 120.300 -0.186 0.000 2.040 192 Y HA -0.174 4.374 4.550 -0.003 0.000 0.275 192 Y C 2.974 178.844 175.900 -0.050 0.000 1.171 192 Y CA 2.123 60.159 58.100 -0.106 0.000 1.123 192 Y CB -1.115 37.262 38.460 -0.139 0.000 0.963 192 Y HN 0.526 nan 8.280 nan 0.000 0.493 193 S N -0.437 115.345 115.700 0.136 0.000 2.383 193 S HA -0.113 4.356 4.470 -0.003 0.000 0.227 193 S C 2.379 177.058 174.600 0.132 0.000 1.026 193 S CA 0.955 59.240 58.200 0.141 0.000 0.981 193 S CB -0.931 62.333 63.200 0.107 0.000 0.818 193 S HN 0.661 nan 8.310 nan 0.000 0.472 194 G N 1.389 110.243 108.800 0.090 0.000 2.421 194 G HA2 -0.110 3.848 3.960 -0.003 0.000 0.216 194 G HA3 -0.110 3.848 3.960 -0.003 0.000 0.216 194 G C 1.554 176.496 174.900 0.070 0.000 1.171 194 G CA 0.919 46.104 45.100 0.142 0.000 0.775 194 G HN 0.570 nan 8.290 nan 0.000 0.543 195 A N 0.068 122.906 122.820 0.029 0.000 1.972 195 A HA 0.096 4.414 4.320 -0.003 0.000 0.219 195 A C 2.145 179.704 177.584 -0.042 0.000 1.169 195 A CA 1.519 53.541 52.037 -0.026 0.000 0.635 195 A CB -0.474 18.535 19.000 0.015 0.000 0.810 195 A HN 0.384 nan 8.150 nan 0.000 0.446 196 F N 0.643 120.512 119.950 -0.134 0.000 2.206 196 F HA -0.017 4.508 4.527 -0.003 0.000 0.298 196 F C 2.033 177.721 175.800 -0.187 0.000 1.090 196 F CA 1.695 59.592 58.000 -0.173 0.000 1.323 196 F CB -0.255 38.650 39.000 -0.159 0.000 1.028 196 F HN 0.228 nan 8.300 nan 0.000 0.492 197 K N -0.378 119.879 120.400 -0.239 0.000 2.057 197 K HA -0.222 4.097 4.320 -0.003 0.000 0.206 197 K C 2.489 178.826 176.600 -0.437 0.000 1.050 197 K CA 1.492 57.608 56.287 -0.286 0.000 0.935 197 K CB -0.826 31.679 32.500 0.008 0.000 0.715 197 K HN 0.437 nan 8.250 nan 0.000 0.439 198 c N 1.006 119.144 118.600 -0.771 0.000 2.403 198 c HA -0.110 4.458 4.570 -0.003 0.000 0.279 198 c C 2.436 176.225 174.090 -0.502 0.000 1.269 198 c CA 0.826 56.470 56.329 -1.142 0.000 1.774 198 c CB -0.934 40.918 42.510 -1.097 0.000 1.993 198 c HN 0.630 nan 8.230 nan 0.000 0.496 199 L N 1.103 122.101 121.223 -0.374 0.000 2.102 199 L HA 0.123 4.461 4.340 -0.003 0.000 0.202 199 L C 2.794 179.547 176.870 -0.195 0.000 1.076 199 L CA 1.683 56.386 54.840 -0.228 0.000 0.761 199 L CB -0.959 41.011 42.059 -0.149 0.000 0.921 199 L HN 0.230 nan 8.230 nan 0.000 0.444 200 R N -0.119 120.179 120.500 -0.336 0.000 2.091 200 R HA -0.157 4.181 4.340 -0.003 0.000 0.238 200 R C 1.585 177.817 176.300 -0.115 0.000 1.136 200 R CA 1.575 57.543 56.100 -0.219 0.000 0.959 200 R CB -0.613 29.466 30.300 -0.369 0.000 0.856 200 R HN 0.430 nan 8.270 nan 0.000 0.437 201 D N -0.889 119.440 120.400 -0.118 0.000 2.350 201 D HA -0.016 4.623 4.640 -0.003 0.000 0.216 201 D C 1.222 177.509 176.300 -0.022 0.000 0.968 201 D CA 1.206 55.188 54.000 -0.031 0.000 0.894 201 D CB -0.027 40.808 40.800 0.058 0.000 0.909 201 D HN 0.500 nan 8.370 nan 0.000 0.520 202 G N 0.124 108.894 108.800 -0.051 0.000 2.159 202 G HA2 -0.353 3.606 3.960 -0.003 0.000 0.256 202 G HA3 -0.353 3.606 3.960 -0.003 0.000 0.256 202 G C 1.300 176.186 174.900 -0.024 0.000 0.977 202 G CA 0.739 45.821 45.100 -0.030 0.000 0.652 202 G HN 0.519 nan 8.290 nan 0.000 0.531 203 A N -0.346 122.454 122.820 -0.032 0.000 1.933 203 A HA 0.491 4.810 4.320 -0.003 0.000 0.218 203 A C 1.738 179.303 177.584 -0.031 0.000 1.175 203 A CA 2.313 54.350 52.037 -0.000 0.000 0.628 203 A CB -0.179 18.850 19.000 0.049 0.000 0.814 203 A HN 1.957 nan 8.150 nan 0.000 0.444 204 G N -2.156 106.593 108.800 -0.085 0.000 2.569 204 G HA2 0.470 4.428 3.960 -0.003 0.000 0.300 204 G HA3 0.470 4.428 3.960 -0.003 0.000 0.300 204 G C -0.511 174.345 174.900 -0.074 0.000 1.269 204 G CA -0.085 44.961 45.100 -0.090 0.000 0.959 204 G HN 0.038 nan 8.290 nan 0.000 0.478 205 D N -0.951 119.408 120.400 -0.068 0.000 2.327 205 D HA 0.044 4.682 4.640 -0.003 0.000 0.205 205 D C 0.552 176.870 176.300 0.029 0.000 0.989 205 D CA 0.691 54.692 54.000 0.002 0.000 0.873 205 D CB 1.460 42.238 40.800 -0.036 0.000 0.955 205 D HN 0.160 nan 8.370 nan 0.000 0.515 206 V N -0.034 119.808 119.914 -0.120 0.000 2.971 206 V HA 0.686 4.804 4.120 -0.003 0.000 0.309 206 V C -1.792 174.029 176.094 -0.454 0.000 1.130 206 V CA -0.788 61.367 62.300 -0.242 0.000 0.964 206 V CB 2.124 33.765 31.823 -0.303 0.000 1.029 206 V HN 0.049 nan 8.190 nan 0.000 0.427 207 A N 5.350 127.903 122.820 -0.445 0.000 2.343 207 A HA 0.876 5.194 4.320 -0.003 0.000 0.316 207 A C -1.395 175.913 177.584 -0.459 0.000 1.104 207 A CA -0.369 51.431 52.037 -0.396 0.000 0.768 207 A CB 1.052 19.975 19.000 -0.128 0.000 1.213 207 A HN 0.746 nan 8.150 nan 0.000 0.456 208 F N 3.598 123.480 119.950 -0.114 0.000 2.303 208 F HA 0.531 5.057 4.527 -0.003 0.000 0.368 208 F C 0.573 176.398 175.800 0.041 0.000 1.105 208 F CA -0.447 57.526 58.000 -0.045 0.000 1.153 208 F CB 0.452 39.389 39.000 -0.105 0.000 1.362 208 F HN 0.590 nan 8.300 nan 0.000 0.511 209 I N -0.023 120.678 120.570 0.219 0.000 3.722 209 I HA 0.717 4.886 4.170 -0.003 0.000 0.285 209 I C -0.632 175.621 176.117 0.226 0.000 1.140 209 I CA -1.745 59.706 61.300 0.252 0.000 1.178 209 I CB 1.851 39.934 38.000 0.138 0.000 1.359 209 I HN 0.284 nan 8.210 nan 0.000 0.456 210 R N 0.474 121.031 120.500 0.094 0.000 2.782 210 R HA 0.363 4.701 4.340 -0.003 0.000 0.258 210 R C 0.746 176.928 176.300 -0.197 0.000 1.055 210 R CA -0.435 55.634 56.100 -0.052 0.000 1.065 210 R CB 0.899 30.985 30.300 -0.357 0.000 1.172 210 R HN 0.711 nan 8.270 nan 0.000 0.510 211 E N 1.027 121.083 120.200 -0.239 0.000 2.204 211 E HA -0.176 4.172 4.350 -0.003 0.000 0.195 211 E C 0.847 177.175 176.600 -0.453 0.000 0.990 211 E CA 2.002 58.129 56.400 -0.455 0.000 0.821 211 E CB -0.178 28.927 29.700 -0.992 0.000 0.750 211 E HN 0.702 nan 8.360 nan 0.000 0.477 212 S N -0.111 115.316 115.700 -0.454 0.000 2.478 212 S HA 0.006 4.475 4.470 -0.003 0.000 0.222 212 S C 1.935 176.397 174.600 -0.231 0.000 1.008 212 S CA 0.674 58.664 58.200 -0.351 0.000 0.928 212 S CB -0.332 62.592 63.200 -0.460 0.000 0.781 212 S HN 0.214 nan 8.310 nan 0.000 0.518 213 T N 2.846 117.188 114.554 -0.353 0.000 2.624 213 T HA -0.155 4.193 4.350 -0.003 0.000 0.268 213 T C 1.835 176.221 174.700 -0.523 0.000 1.041 213 T CA 1.704 63.564 62.100 -0.400 0.000 1.159 213 T CB -0.972 67.642 68.868 -0.424 0.000 0.863 213 T HN 0.316 nan 8.240 nan 0.000 0.434 214 V N 0.537 120.042 119.914 -0.682 0.000 2.568 214 V HA -0.140 3.979 4.120 -0.003 0.000 0.253 214 V C 1.895 177.683 176.094 -0.509 0.000 1.072 214 V CA 1.689 63.477 62.300 -0.853 0.000 1.084 214 V CB -0.744 30.603 31.823 -0.793 0.000 0.676 214 V HN 0.509 nan 8.190 nan 0.000 0.469 215 F N 0.456 120.235 119.950 -0.285 0.000 2.416 215 F HA 0.106 4.631 4.527 -0.003 0.000 0.296 215 F C 2.377 178.088 175.800 -0.149 0.000 1.099 215 F CA 1.315 59.212 58.000 -0.172 0.000 1.427 215 F CB -0.249 38.659 39.000 -0.153 0.000 1.079 215 F HN 0.222 nan 8.300 nan 0.000 0.536 216 E N -0.042 120.146 120.200 -0.019 0.000 2.158 216 E HA -0.120 4.228 4.350 -0.003 0.000 0.191 216 E C 1.067 177.650 176.600 -0.029 0.000 0.982 216 E CA 1.129 57.501 56.400 -0.047 0.000 0.823 216 E CB -0.051 29.586 29.700 -0.105 0.000 0.766 216 E HN 0.315 nan 8.360 nan 0.000 0.468 217 D N -0.061 120.319 120.400 -0.034 0.000 2.366 217 D HA 0.083 4.722 4.640 -0.003 0.000 0.205 217 D C 0.128 176.471 176.300 0.072 0.000 1.022 217 D CA 0.426 54.458 54.000 0.053 0.000 0.868 217 D CB 0.628 41.536 40.800 0.180 0.000 0.953 217 D HN 0.075 nan 8.370 nan 0.000 0.514 218 L N 1.475 122.714 121.223 0.026 0.000 2.318 218 L HA 0.203 4.542 4.340 -0.003 0.000 0.277 218 L C 1.398 178.271 176.870 0.005 0.000 1.008 218 L CA -0.369 54.489 54.840 0.030 0.000 0.846 218 L CB 1.911 43.990 42.059 0.033 0.000 1.220 218 L HN -0.159 nan 8.230 nan 0.000 0.423 219 S N 0.302 116.014 115.700 0.019 0.000 2.345 219 S HA -0.061 4.407 4.470 -0.003 0.000 0.219 219 S C 0.739 175.350 174.600 0.017 0.000 1.031 219 S CA 0.265 58.477 58.200 0.020 0.000 0.984 219 S CB -0.033 63.178 63.200 0.019 0.000 0.874 219 S HN 0.591 nan 8.310 nan 0.000 0.451 220 D N 2.693 123.103 120.400 0.017 0.000 2.368 220 D HA 0.078 4.716 4.640 -0.003 0.000 0.268 220 D C 0.827 177.133 176.300 0.009 0.000 1.298 220 D CA 0.170 54.179 54.000 0.015 0.000 0.938 220 D CB 0.717 41.526 40.800 0.016 0.000 1.101 220 D HN 0.538 nan 8.370 nan 0.000 0.509 221 E N 2.272 122.477 120.200 0.009 0.000 2.233 221 E HA -0.264 4.085 4.350 -0.003 0.000 0.199 221 E C 1.787 178.386 176.600 -0.002 0.000 1.004 221 E CA 1.210 57.612 56.400 0.004 0.000 0.819 221 E CB 0.040 29.750 29.700 0.017 0.000 0.738 221 E HN 0.495 nan 8.360 nan 0.000 0.478 222 A N 1.468 124.289 122.820 0.002 0.000 1.930 222 A HA -0.227 4.092 4.320 -0.003 0.000 0.217 222 A C 2.072 179.655 177.584 -0.000 0.000 1.175 222 A CA 1.391 53.426 52.037 -0.003 0.000 0.627 222 A CB -0.310 18.688 19.000 -0.003 0.000 0.815 222 A HN 0.206 nan 8.150 nan 0.000 0.443 223 E N -0.523 119.688 120.200 0.018 0.000 2.274 223 E HA -0.110 4.238 4.350 -0.003 0.000 0.194 223 E C 2.125 178.793 176.600 0.114 0.000 0.996 223 E CA 0.343 56.774 56.400 0.052 0.000 0.840 223 E CB -0.008 29.740 29.700 0.079 0.000 0.772 223 E HN 0.570 nan 8.360 nan 0.000 0.491 224 R N 0.286 120.821 120.500 0.057 0.000 2.148 224 R HA -0.081 4.258 4.340 -0.003 0.000 0.223 224 R C 0.838 177.169 176.300 0.052 0.000 1.088 224 R CA 1.223 57.345 56.100 0.037 0.000 0.985 224 R CB -0.050 30.162 30.300 -0.146 0.000 0.880 224 R HN 0.079 nan 8.270 nan 0.000 0.451 225 D N 0.366 120.769 120.400 0.004 0.000 2.323 225 D HA -0.021 4.617 4.640 -0.003 0.000 0.239 225 D C 0.732 176.991 176.300 -0.067 0.000 1.129 225 D CA 0.491 54.478 54.000 -0.021 0.000 0.865 225 D CB 0.306 41.090 40.800 -0.026 0.000 0.913 225 D HN 0.226 nan 8.370 nan 0.000 0.517 226 E N -0.789 119.338 120.200 -0.123 0.000 2.472 226 E HA 0.057 4.405 4.350 -0.003 0.000 0.196 226 E C -0.466 175.814 176.600 -0.534 0.000 1.033 226 E CA 0.026 56.224 56.400 -0.336 0.000 0.886 226 E CB 0.487 29.917 29.700 -0.451 0.000 0.944 226 E HN 0.279 nan 8.360 nan 0.000 0.492 227 Y N 0.173 120.451 120.300 -0.036 0.000 2.485 227 Y HA 0.419 4.967 4.550 -0.003 0.000 0.345 227 Y C 0.207 176.079 175.900 -0.047 0.000 0.998 227 Y CA -0.894 57.189 58.100 -0.029 0.000 1.059 227 Y CB 1.667 40.131 38.460 0.007 0.000 1.234 227 Y HN -0.194 nan 8.280 nan 0.000 0.461 228 E N 1.382 121.644 120.200 0.104 0.000 2.431 228 E HA 0.676 5.024 4.350 -0.003 0.000 0.268 228 E C -1.580 175.045 176.600 0.041 0.000 0.953 228 E CA -1.067 55.355 56.400 0.037 0.000 0.810 228 E CB 2.587 32.273 29.700 -0.024 0.000 1.369 228 E HN 0.394 nan 8.360 nan 0.000 0.440 229 L N 1.463 122.703 121.223 0.027 0.000 2.346 229 L HA 0.464 4.803 4.340 -0.003 0.000 0.274 229 L C -0.784 176.100 176.870 0.024 0.000 1.007 229 L CA -0.836 54.028 54.840 0.040 0.000 0.818 229 L CB 1.176 43.277 42.059 0.070 0.000 1.284 229 L HN 0.279 nan 8.230 nan 0.000 0.424 230 L N 2.214 123.462 121.223 0.042 0.000 2.281 230 L HA 0.353 4.691 4.340 -0.003 0.000 0.285 230 L C -0.471 176.439 176.870 0.066 0.000 1.074 230 L CA -0.392 54.477 54.840 0.048 0.000 0.817 230 L CB 1.115 43.230 42.059 0.093 0.000 1.168 230 L HN 0.669 nan 8.230 nan 0.000 0.434 231 c N 3.854 122.478 118.600 0.040 0.000 2.364 231 c HA 0.324 4.892 4.570 -0.003 0.000 0.356 231 c C -0.630 173.484 174.090 0.041 0.000 1.201 231 c CA -1.065 55.280 56.329 0.027 0.000 2.227 231 c CB 1.140 43.647 42.510 -0.005 0.000 2.387 231 c HN 0.619 nan 8.230 nan 0.000 0.546 232 P HA -0.061 nan 4.420 nan 0.000 0.234 232 P C 0.368 177.696 177.300 0.046 0.000 1.167 232 P CA 1.343 64.474 63.100 0.052 0.000 0.763 232 P CB -0.057 31.662 31.700 0.032 0.000 0.835 233 D N -0.836 119.578 120.400 0.023 0.000 2.460 233 D HA -0.016 4.622 4.640 -0.003 0.000 0.229 233 D C 0.080 176.398 176.300 0.030 0.000 1.170 233 D CA -0.806 53.207 54.000 0.023 0.000 0.827 233 D CB -1.245 39.556 40.800 0.003 0.000 0.973 233 D HN -0.177 nan 8.370 nan 0.000 0.496 234 N N 0.270 118.997 118.700 0.044 0.000 2.721 234 N HA -0.164 4.574 4.740 -0.003 0.000 0.249 234 N C -0.370 175.152 175.510 0.020 0.000 1.072 234 N CA 1.527 54.602 53.050 0.042 0.000 0.710 234 N CB -1.729 36.789 38.487 0.051 0.000 0.993 234 N HN 0.734 nan 8.380 nan 0.000 0.547 235 T N -3.352 111.207 114.554 0.009 0.000 2.858 235 T HA 0.770 5.119 4.350 -0.003 0.000 0.285 235 T C -0.001 174.688 174.700 -0.017 0.000 1.052 235 T CA -0.912 61.183 62.100 -0.008 0.000 1.009 235 T CB 2.535 71.396 68.868 -0.011 0.000 1.241 235 T HN 0.152 nan 8.240 nan 0.000 0.542 236 R N 0.244 120.724 120.500 -0.033 0.000 2.670 236 R HA 0.725 5.063 4.340 -0.003 0.000 0.289 236 R C -0.714 175.569 176.300 -0.029 0.000 0.965 236 R CA -0.921 55.155 56.100 -0.040 0.000 0.899 236 R CB 2.103 32.356 30.300 -0.079 0.000 1.173 236 R HN 0.602 nan 8.270 nan 0.000 0.456 237 K N 1.881 122.271 120.400 -0.016 0.000 2.509 237 K HA 0.442 4.760 4.320 -0.003 0.000 0.266 237 K C -2.783 173.821 176.600 0.007 0.000 0.987 237 K CA -2.203 54.079 56.287 -0.010 0.000 0.868 237 K CB 2.207 34.701 32.500 -0.011 0.000 1.421 237 K HN 0.255 nan 8.250 nan 0.000 0.444 238 P HA -0.090 nan 4.420 nan 0.000 0.268 238 P C 0.910 178.251 177.300 0.069 0.000 1.208 238 P CA -0.278 62.839 63.100 0.028 0.000 0.777 238 P CB 0.440 32.154 31.700 0.022 0.000 0.875 239 V N -0.535 119.427 119.914 0.081 0.000 3.026 239 V HA -0.177 3.941 4.120 -0.003 0.000 0.265 239 V C 1.152 177.458 176.094 0.354 0.000 1.121 239 V CA 2.022 64.407 62.300 0.141 0.000 1.142 239 V CB -1.313 30.507 31.823 -0.005 0.000 0.730 239 V HN 0.556 nan 8.190 nan 0.000 0.503 240 D N -0.195 120.381 120.400 0.293 0.000 2.354 240 D HA -0.039 4.599 4.640 -0.003 0.000 0.209 240 D C 1.176 177.482 176.300 0.010 0.000 1.015 240 D CA 0.093 54.293 54.000 0.333 0.000 0.867 240 D CB 0.037 40.981 40.800 0.240 0.000 0.933 240 D HN 0.390 nan 8.370 nan 0.000 0.520 241 K N 0.755 121.149 120.400 -0.011 0.000 2.827 241 K HA 0.167 4.486 4.320 -0.003 0.000 0.222 241 K C 0.715 177.218 176.600 -0.162 0.000 1.114 241 K CA -0.433 55.761 56.287 -0.155 0.000 1.206 241 K CB -0.880 31.574 32.500 -0.076 0.000 1.035 241 K HN 0.224 nan 8.250 nan 0.000 0.464 242 F N -0.950 118.958 119.950 -0.071 0.000 2.365 242 F HA -0.011 4.514 4.527 -0.003 0.000 0.300 242 F C 1.398 177.082 175.800 -0.193 0.000 1.090 242 F CA 0.695 58.629 58.000 -0.110 0.000 1.408 242 F CB -0.165 38.756 39.000 -0.132 0.000 1.060 242 F HN -0.077 nan 8.300 nan 0.000 0.534 243 K N 0.374 120.392 120.400 -0.636 0.000 2.209 243 K HA -0.126 4.192 4.320 -0.003 0.000 0.204 243 K C 0.591 177.160 176.600 -0.052 0.000 1.048 243 K CA 1.508 57.564 56.287 -0.385 0.000 0.940 243 K CB -0.219 32.025 32.500 -0.427 0.000 0.729 243 K HN 0.391 nan 8.250 nan 0.000 0.451 244 D N -1.213 119.115 120.400 -0.121 0.000 2.402 244 D HA 0.035 4.673 4.640 -0.003 0.000 0.216 244 D C -0.394 175.823 176.300 -0.137 0.000 1.128 244 D CA 0.143 54.075 54.000 -0.113 0.000 0.833 244 D CB 0.513 41.253 40.800 -0.099 0.000 0.971 244 D HN 0.024 nan 8.370 nan 0.000 0.503 245 c N 2.824 121.358 118.600 -0.108 0.000 3.355 245 c HA 0.218 4.787 4.570 -0.003 0.000 0.287 245 c C -0.985 173.127 174.090 0.036 0.000 1.036 245 c CA -0.457 55.830 56.329 -0.070 0.000 1.246 245 c CB -0.821 41.685 42.510 -0.005 0.000 1.754 245 c HN 0.425 nan 8.230 nan 0.000 0.592 246 H N 2.100 121.228 119.070 0.096 0.000 2.961 246 H HA 0.419 4.974 4.556 -0.003 0.000 0.371 246 H C -0.195 175.212 175.328 0.131 0.000 1.190 246 H CA -0.875 55.261 56.048 0.147 0.000 1.138 246 H CB 0.998 30.905 29.762 0.241 0.000 1.816 246 H HN 0.326 nan 8.280 nan 0.000 0.551 247 L N 0.524 121.926 121.223 0.299 0.000 2.270 247 L HA 0.308 4.647 4.340 -0.003 0.000 0.210 247 L C 0.907 177.907 176.870 0.217 0.000 1.104 247 L CA 1.165 56.123 54.840 0.197 0.000 0.804 247 L CB -0.036 42.111 42.059 0.147 0.000 0.937 247 L HN 0.770 nan 8.230 nan 0.000 0.450 248 A N -0.404 122.579 122.820 0.272 0.000 2.597 248 A HA 0.542 4.860 4.320 -0.003 0.000 0.292 248 A C -1.145 176.390 177.584 -0.081 0.000 1.057 248 A CA -0.626 51.482 52.037 0.120 0.000 0.674 248 A CB 1.240 20.213 19.000 -0.045 0.000 1.278 248 A HN 0.038 nan 8.150 nan 0.000 0.416 249 R N 0.751 121.119 120.500 -0.221 0.000 2.295 249 R HA 0.626 4.965 4.340 -0.003 0.000 0.324 249 R C -0.854 175.189 176.300 -0.428 0.000 0.968 249 R CA -0.268 55.551 56.100 -0.467 0.000 0.837 249 R CB 1.082 31.112 30.300 -0.450 0.000 1.133 249 R HN 1.110 nan 8.270 nan 0.000 0.450 250 V N 1.765 121.355 119.914 -0.540 0.000 2.914 250 V HA 0.711 4.829 4.120 -0.003 0.000 0.314 250 V C -2.577 173.285 176.094 -0.388 0.000 1.084 250 V CA -2.679 59.307 62.300 -0.523 0.000 0.963 250 V CB 1.879 33.266 31.823 -0.727 0.000 1.025 250 V HN 0.681 nan 8.190 nan 0.000 0.432 251 P HA 0.188 nan 4.420 nan 0.000 0.271 251 P C 0.049 177.503 177.300 0.256 0.000 1.218 251 P CA 0.251 63.335 63.100 -0.026 0.000 0.780 251 P CB 1.011 32.633 31.700 -0.129 0.000 0.901 252 S N 1.857 117.781 115.700 0.374 0.000 2.593 252 S HA 0.122 4.590 4.470 -0.003 0.000 0.269 252 S C 0.360 175.388 174.600 0.712 0.000 1.334 252 S CA -0.410 58.151 58.200 0.601 0.000 1.015 252 S CB -0.372 62.938 63.200 0.185 0.000 0.912 252 S HN 0.460 nan 8.310 nan 0.000 0.541 253 H N 0.401 119.828 119.070 0.595 0.000 2.983 253 H HA 0.398 4.952 4.556 -0.003 0.000 0.361 253 H C 0.464 176.047 175.328 0.424 0.000 1.145 253 H CA 0.311 56.654 56.048 0.493 0.000 1.404 253 H CB 0.356 30.388 29.762 0.451 0.000 1.356 253 H HN 0.916 nan 8.280 nan 0.000 0.612 254 A N 1.961 125.055 122.820 0.457 0.000 2.572 254 A HA 0.426 4.745 4.320 -0.003 0.000 0.295 254 A C -0.915 176.835 177.584 0.277 0.000 1.072 254 A CA -0.717 51.515 52.037 0.325 0.000 0.691 254 A CB 1.286 20.318 19.000 0.054 0.000 1.291 254 A HN 0.430 nan 8.150 nan 0.000 0.404 255 V N 1.890 121.992 119.914 0.315 0.000 2.530 255 V HA 0.437 4.555 4.120 -0.003 0.000 0.282 255 V C 0.509 176.649 176.094 0.077 0.000 1.048 255 V CA 0.022 62.479 62.300 0.261 0.000 0.997 255 V CB 0.838 32.888 31.823 0.380 0.000 0.987 255 V HN 1.017 nan 8.190 nan 0.000 0.477 256 V N 2.391 122.300 119.914 -0.009 0.000 2.994 256 V HA 1.098 5.216 4.120 -0.003 0.000 0.318 256 V C -0.054 175.978 176.094 -0.102 0.000 1.085 256 V CA -0.436 61.830 62.300 -0.057 0.000 0.998 256 V CB 1.612 33.404 31.823 -0.052 0.000 1.063 256 V HN 1.213 nan 8.190 nan 0.000 0.447 257 A N 1.927 124.696 122.820 -0.084 0.000 2.564 257 A HA 0.777 5.096 4.320 -0.003 0.000 0.291 257 A C -0.449 177.100 177.584 -0.059 0.000 1.102 257 A CA -1.000 50.984 52.037 -0.088 0.000 0.660 257 A CB 1.318 20.270 19.000 -0.079 0.000 1.283 257 A HN 1.232 nan 8.150 nan 0.000 0.430 258 R N 0.402 120.872 120.500 -0.050 0.000 2.641 258 R HA 0.476 4.814 4.340 -0.003 0.000 0.269 258 R C 0.284 176.564 176.300 -0.032 0.000 1.074 258 R CA 0.270 56.351 56.100 -0.032 0.000 1.133 258 R CB 0.427 30.713 30.300 -0.024 0.000 1.029 258 R HN 0.444 nan 8.270 nan 0.000 0.488 259 S N 1.192 116.876 115.700 -0.028 0.000 2.387 259 S HA -0.118 4.351 4.470 -0.003 0.000 0.226 259 S C 1.829 176.412 174.600 -0.029 0.000 1.026 259 S CA 1.061 59.242 58.200 -0.032 0.000 0.972 259 S CB -0.406 62.776 63.200 -0.031 0.000 0.814 259 S HN 0.595 nan 8.310 nan 0.000 0.477 260 V N 1.055 120.954 119.914 -0.025 0.000 2.320 260 V HA 0.135 4.254 4.120 -0.003 0.000 0.219 260 V C 0.453 176.535 176.094 -0.021 0.000 1.055 260 V CA 0.780 63.066 62.300 -0.023 0.000 1.054 260 V CB -1.023 30.788 31.823 -0.020 0.000 0.671 260 V HN 0.209 nan 8.190 nan 0.000 0.474 261 N N 0.837 119.525 118.700 -0.019 0.000 3.083 261 N HA 0.518 5.257 4.740 -0.003 0.000 0.260 261 N C 0.731 176.229 175.510 -0.020 0.000 1.163 261 N CA 0.614 53.653 53.050 -0.017 0.000 1.060 261 N CB 0.851 39.329 38.487 -0.015 0.000 1.345 261 N HN 0.642 nan 8.380 nan 0.000 0.515 262 G N 0.533 109.320 108.800 -0.022 0.000 2.539 262 G HA2 -0.068 3.890 3.960 -0.003 0.000 0.215 262 G HA3 -0.068 3.890 3.960 -0.003 0.000 0.215 262 G C 0.305 175.194 174.900 -0.019 0.000 1.141 262 G CA -0.125 44.959 45.100 -0.027 0.000 0.806 262 G HN 0.504 nan 8.290 nan 0.000 0.533 263 K N -0.424 119.973 120.400 -0.006 0.000 3.218 263 K HA -0.184 4.134 4.320 -0.003 0.000 0.276 263 K C 1.022 177.639 176.600 0.029 0.000 1.173 263 K CA 0.620 56.912 56.287 0.009 0.000 0.812 263 K CB -1.298 31.204 32.500 0.003 0.000 1.275 263 K HN 0.378 nan 8.250 nan 0.000 0.504 264 E N 1.202 121.417 120.200 0.025 0.000 2.086 264 E HA -0.244 4.104 4.350 -0.003 0.000 0.200 264 E C 1.226 177.892 176.600 0.109 0.000 1.012 264 E CA 2.373 58.802 56.400 0.049 0.000 0.812 264 E CB -0.059 29.647 29.700 0.010 0.000 0.743 264 E HN 0.504 nan 8.360 nan 0.000 0.453 265 D N 0.386 120.841 120.400 0.092 0.000 2.123 265 D HA -0.205 4.433 4.640 -0.003 0.000 0.196 265 D C 1.796 178.182 176.300 0.144 0.000 0.992 265 D CA 1.520 55.599 54.000 0.132 0.000 0.833 265 D CB -0.428 40.423 40.800 0.084 0.000 0.954 265 D HN 0.271 nan 8.370 nan 0.000 0.455 266 A N 0.205 123.081 122.820 0.094 0.000 1.873 266 A HA -0.098 4.221 4.320 -0.003 0.000 0.215 266 A C 2.152 179.798 177.584 0.102 0.000 1.186 266 A CA 0.937 53.018 52.037 0.075 0.000 0.616 266 A CB -0.741 18.286 19.000 0.045 0.000 0.823 266 A HN 0.118 nan 8.150 nan 0.000 0.442 267 I N -1.422 119.225 120.570 0.127 0.000 2.099 267 I HA -0.287 3.882 4.170 -0.003 0.000 0.239 267 I C 2.405 178.653 176.117 0.219 0.000 1.066 267 I CA 1.510 62.916 61.300 0.176 0.000 1.324 267 I CB -0.554 37.537 38.000 0.152 0.000 1.037 267 I HN 0.686 nan 8.210 nan 0.000 0.401 268 W N 1.270 122.596 121.300 0.042 0.000 2.338 268 W HA -0.341 4.318 4.660 -0.002 0.000 0.304 268 W C 2.438 178.981 176.519 0.040 0.000 1.212 268 W CA 1.926 59.290 57.345 0.032 0.000 1.264 268 W CB -0.386 29.091 29.460 0.029 0.000 1.142 268 W HN 0.229 nan 8.180 nan 0.000 0.512 269 N N 0.832 119.540 118.700 0.014 0.000 2.069 269 N HA -0.250 4.489 4.740 -0.003 0.000 0.191 269 N C 1.866 177.292 175.510 -0.139 0.000 1.031 269 N CA 2.226 55.212 53.050 -0.107 0.000 0.852 269 N CB -0.820 37.672 38.487 0.008 0.000 1.018 269 N HN 0.139 nan 8.380 nan 0.000 0.423 270 L N 0.660 121.857 121.223 -0.044 0.000 1.989 270 L HA -0.086 4.252 4.340 -0.003 0.000 0.211 270 L C 1.874 178.736 176.870 -0.014 0.000 1.071 270 L CA 1.572 56.411 54.840 -0.003 0.000 0.749 270 L CB -0.864 41.232 42.059 0.062 0.000 0.890 270 L HN 0.281 nan 8.230 nan 0.000 0.431 271 L N -0.612 120.544 121.223 -0.112 0.000 1.971 271 L HA -0.265 4.073 4.340 -0.003 0.000 0.215 271 L C 2.873 179.544 176.870 -0.332 0.000 1.072 271 L CA 1.894 56.543 54.840 -0.317 0.000 0.758 271 L CB -0.795 40.890 42.059 -0.624 0.000 0.889 271 L HN 0.358 nan 8.230 nan 0.000 0.433 272 R N -0.157 119.972 120.500 -0.618 0.000 2.096 272 R HA -0.213 4.125 4.340 -0.003 0.000 0.240 272 R C 2.356 178.529 176.300 -0.211 0.000 1.139 272 R CA 1.754 57.544 56.100 -0.516 0.000 0.952 272 R CB -0.146 29.706 30.300 -0.746 0.000 0.854 272 R HN 0.452 nan 8.270 nan 0.000 0.436 273 Q N -0.353 119.350 119.800 -0.162 0.000 2.079 273 Q HA -0.093 4.246 4.340 -0.003 0.000 0.200 273 Q C 2.091 178.084 176.000 -0.012 0.000 0.974 273 Q CA 1.543 57.300 55.803 -0.076 0.000 0.840 273 Q CB -0.308 28.403 28.738 -0.045 0.000 0.898 273 Q HN 0.419 nan 8.270 nan 0.000 0.430 274 A N 1.074 123.956 122.820 0.103 0.000 1.908 274 A HA -0.255 4.063 4.320 -0.003 0.000 0.218 274 A C 2.087 179.758 177.584 0.145 0.000 1.181 274 A CA 1.805 54.027 52.037 0.308 0.000 0.627 274 A CB -0.624 18.641 19.000 0.442 0.000 0.818 274 A HN 0.425 nan 8.150 nan 0.000 0.445 275 Q N -0.726 119.115 119.800 0.068 0.000 2.079 275 Q HA -0.223 4.115 4.340 -0.003 0.000 0.200 275 Q C 2.091 178.106 176.000 0.024 0.000 0.974 275 Q CA 1.795 57.652 55.803 0.090 0.000 0.840 275 Q CB -0.132 28.718 28.738 0.188 0.000 0.898 275 Q HN 0.812 nan 8.270 nan 0.000 0.430 276 E N -0.009 120.172 120.200 -0.032 0.000 2.047 276 E HA -0.202 4.146 4.350 -0.003 0.000 0.191 276 E C 1.803 178.317 176.600 -0.144 0.000 0.987 276 E CA 1.191 57.550 56.400 -0.067 0.000 0.799 276 E CB 0.192 29.847 29.700 -0.075 0.000 0.752 276 E HN 0.066 nan 8.360 nan 0.000 0.449 277 K N -0.926 119.303 120.400 -0.285 0.000 2.167 277 K HA -0.030 4.289 4.320 -0.003 0.000 0.203 277 K C 0.529 176.673 176.600 -0.760 0.000 1.052 277 K CA 0.891 56.802 56.287 -0.626 0.000 0.956 277 K CB 0.233 32.127 32.500 -1.010 0.000 0.735 277 K HN 0.120 nan 8.250 nan 0.000 0.451 278 F N -1.228 118.750 119.950 0.047 0.000 2.817 278 F HA 0.369 4.894 4.527 -0.003 0.000 0.319 278 F C 1.000 176.762 175.800 -0.064 0.000 1.136 278 F CA -0.855 57.167 58.000 0.036 0.000 1.177 278 F CB -0.033 39.064 39.000 0.161 0.000 1.088 278 F HN -0.142 nan 8.300 nan 0.000 0.520 279 G N 0.318 109.164 108.800 0.076 0.000 2.583 279 G HA2 0.018 3.976 3.960 -0.003 0.000 0.275 279 G HA3 0.018 3.976 3.960 -0.003 0.000 0.275 279 G C -0.059 174.909 174.900 0.113 0.000 1.342 279 G CA -0.668 44.502 45.100 0.116 0.000 1.030 279 G HN 0.132 nan 8.290 nan 0.000 0.520 280 K N 0.545 121.027 120.400 0.137 0.000 2.405 280 K HA -0.071 4.247 4.320 -0.003 0.000 0.273 280 K C -0.445 176.178 176.600 0.038 0.000 1.116 280 K CA 0.863 57.190 56.287 0.067 0.000 1.155 280 K CB -0.478 32.032 32.500 0.016 0.000 0.858 280 K HN 0.509 nan 8.250 nan 0.000 0.477 281 D N 3.104 123.524 120.400 0.034 0.000 3.082 281 D HA -0.153 4.486 4.640 -0.003 0.000 0.234 281 D C -0.318 176.000 176.300 0.030 0.000 1.159 281 D CA 0.932 54.949 54.000 0.028 0.000 0.875 281 D CB -0.062 40.748 40.800 0.016 0.000 0.946 281 D HN 0.552 nan 8.370 nan 0.000 0.411 282 K N -0.510 119.918 120.400 0.046 0.000 2.485 282 K HA 0.345 4.663 4.320 -0.003 0.000 0.200 282 K C -0.106 176.529 176.600 0.059 0.000 1.352 282 K CA 0.175 56.481 56.287 0.032 0.000 0.953 282 K CB 1.191 33.694 32.500 0.005 0.000 1.387 282 K HN 0.122 nan 8.250 nan 0.000 0.512 283 S N 0.179 115.953 115.700 0.125 0.000 2.649 283 S HA 0.374 4.843 4.470 -0.003 0.000 0.274 283 S C -2.574 172.121 174.600 0.159 0.000 1.176 283 S CA -1.363 56.938 58.200 0.167 0.000 0.988 283 S CB 1.181 64.555 63.200 0.289 0.000 1.071 283 S HN -0.175 nan 8.310 nan 0.000 0.478 284 P HA 0.045 nan 4.420 nan 0.000 0.218 284 P C 1.363 178.726 177.300 0.105 0.000 1.149 284 P CA 1.147 64.297 63.100 0.084 0.000 0.817 284 P CB 0.100 31.838 31.700 0.064 0.000 0.785 285 A N -2.254 120.651 122.820 0.141 0.000 2.076 285 A HA -0.072 4.247 4.320 -0.003 0.000 0.220 285 A C 0.771 178.497 177.584 0.238 0.000 1.160 285 A CA 1.182 53.314 52.037 0.158 0.000 0.653 285 A CB -0.924 18.169 19.000 0.156 0.000 0.801 285 A HN 0.263 nan 8.150 nan 0.000 0.455 286 F N -1.931 118.034 119.950 0.026 0.000 2.672 286 F HA 0.441 4.966 4.527 -0.003 0.000 0.311 286 F C -1.368 174.419 175.800 -0.023 0.000 1.113 286 F CA -0.783 57.175 58.000 -0.070 0.000 0.996 286 F CB 1.307 40.126 39.000 -0.301 0.000 1.286 286 F HN 0.017 nan 8.300 nan 0.000 0.441 287 Q N 5.527 124.861 119.800 -0.778 0.000 2.337 287 Q HA 0.268 4.606 4.340 -0.003 0.000 0.264 287 Q C 0.104 175.521 176.000 -0.971 0.000 1.007 287 Q CA -0.594 54.865 55.803 -0.574 0.000 0.727 287 Q CB 2.414 30.983 28.738 -0.280 0.000 1.256 287 Q HN 0.853 nan 8.270 nan 0.000 0.467 288 L N 2.476 123.195 121.223 -0.840 0.000 2.131 288 L HA -0.061 4.277 4.340 -0.003 0.000 0.210 288 L C 0.624 177.018 176.870 -0.793 0.000 1.092 288 L CA 2.008 56.269 54.840 -0.964 0.000 0.759 288 L CB 0.085 41.523 42.059 -1.034 0.000 0.903 288 L HN 0.555 nan 8.230 nan 0.000 0.435 289 F N -0.681 119.099 119.950 -0.284 0.000 2.750 289 F HA 0.509 5.035 4.527 -0.003 0.000 0.297 289 F C 0.979 176.687 175.800 -0.155 0.000 1.138 289 F CA -0.357 57.535 58.000 -0.181 0.000 1.346 289 F CB -0.302 38.588 39.000 -0.184 0.000 0.965 289 F HN -0.022 nan 8.300 nan 0.000 0.514 290 G N -0.749 107.993 108.800 -0.096 0.000 2.519 290 G HA2 0.608 4.566 3.960 -0.003 0.000 0.307 290 G HA3 0.608 4.566 3.960 -0.003 0.000 0.307 290 G C -1.073 173.760 174.900 -0.111 0.000 1.266 290 G CA -0.613 44.432 45.100 -0.092 0.000 0.970 290 G HN 0.006 nan 8.290 nan 0.000 0.481 291 S N 0.750 116.415 115.700 -0.057 0.000 2.541 291 S HA 0.647 5.116 4.470 -0.003 0.000 0.280 291 S C -2.550 172.039 174.600 -0.020 0.000 1.112 291 S CA -0.626 57.551 58.200 -0.038 0.000 0.925 291 S CB 2.105 65.302 63.200 -0.005 0.000 1.067 291 S HN 0.492 nan 8.310 nan 0.000 0.479 292 P HA 0.065 nan 4.420 nan 0.000 0.267 292 P C 0.648 177.955 177.300 0.011 0.000 1.195 292 P CA 0.200 63.303 63.100 0.005 0.000 0.773 292 P CB 0.307 32.017 31.700 0.017 0.000 0.837 293 S N 2.375 118.082 115.700 0.012 0.000 2.452 293 S HA -0.256 4.212 4.470 -0.003 0.000 0.253 293 S C 1.997 176.610 174.600 0.021 0.000 1.061 293 S CA 1.831 60.041 58.200 0.015 0.000 1.273 293 S CB -1.754 61.455 63.200 0.016 0.000 1.191 293 S HN 0.779 nan 8.310 nan 0.000 0.430 294 G N 2.031 110.845 108.800 0.023 0.000 2.807 294 G HA2 0.104 4.062 3.960 -0.003 0.000 0.207 294 G HA3 0.104 4.062 3.960 -0.003 0.000 0.207 294 G C 0.316 175.237 174.900 0.035 0.000 1.151 294 G CA 0.229 45.346 45.100 0.028 0.000 0.800 294 G HN 0.315 nan 8.290 nan 0.000 0.523 295 Q N -0.342 119.478 119.800 0.033 0.000 2.359 295 Q HA 0.619 4.958 4.340 -0.003 0.000 0.275 295 Q C -0.500 175.523 176.000 0.039 0.000 1.082 295 Q CA -0.468 55.358 55.803 0.040 0.000 0.849 295 Q CB 2.204 30.963 28.738 0.034 0.000 1.377 295 Q HN -0.020 nan 8.270 nan 0.000 0.452 296 K N 1.323 121.753 120.400 0.050 0.000 2.543 296 K HA 0.182 4.500 4.320 -0.003 0.000 0.255 296 K C -1.383 175.253 176.600 0.060 0.000 0.934 296 K CA -0.481 55.835 56.287 0.049 0.000 0.810 296 K CB 1.632 34.163 32.500 0.053 0.000 1.315 296 K HN 0.567 nan 8.250 nan 0.000 0.433 297 D N 1.651 122.088 120.400 0.062 0.000 2.697 297 D HA -0.205 4.433 4.640 -0.003 0.000 0.238 297 D C -0.263 176.083 176.300 0.077 0.000 1.152 297 D CA 0.796 54.851 54.000 0.092 0.000 0.666 297 D CB -1.136 39.738 40.800 0.124 0.000 1.037 297 D HN 0.369 nan 8.370 nan 0.000 0.423 298 L N 0.499 121.747 121.223 0.042 0.000 2.315 298 L HA 0.214 4.553 4.340 -0.003 0.000 0.283 298 L C 2.018 178.843 176.870 -0.076 0.000 1.089 298 L CA -0.404 54.436 54.840 -0.000 0.000 0.833 298 L CB 0.463 42.516 42.059 -0.010 0.000 1.170 298 L HN 0.266 nan 8.230 nan 0.000 0.442 299 L N 1.554 122.689 121.223 -0.147 0.000 4.081 299 L HA -0.342 3.996 4.340 -0.003 0.000 0.374 299 L C -0.252 176.162 176.870 -0.761 0.000 0.713 299 L CA 1.438 55.994 54.840 -0.473 0.000 2.809 299 L CB -1.139 40.501 42.059 -0.698 0.000 0.820 299 L HN 0.425 nan 8.230 nan 0.000 0.697 300 F N -1.233 118.782 119.950 0.109 0.000 2.664 300 F HA 0.545 5.071 4.527 -0.003 0.000 0.317 300 F C 0.406 176.332 175.800 0.209 0.000 1.108 300 F CA -1.012 57.127 58.000 0.231 0.000 0.957 300 F CB 0.702 39.878 39.000 0.295 0.000 1.365 300 F HN -0.293 nan 8.300 nan 0.000 0.475 301 K N 1.735 122.391 120.400 0.426 0.000 2.322 301 K HA 0.101 4.420 4.320 -0.003 0.000 0.283 301 K C -0.860 175.824 176.600 0.140 0.000 1.042 301 K CA -0.138 56.270 56.287 0.202 0.000 0.958 301 K CB 0.421 32.970 32.500 0.082 0.000 0.984 301 K HN 0.544 nan 8.250 nan 0.000 0.473 302 D N 1.437 121.875 120.400 0.064 0.000 2.414 302 D HA -0.017 4.621 4.640 -0.003 0.000 0.242 302 D C 0.450 176.715 176.300 -0.059 0.000 1.129 302 D CA 0.496 54.517 54.000 0.036 0.000 0.885 302 D CB 0.726 41.527 40.800 0.003 0.000 1.198 302 D HN 0.557 nan 8.370 nan 0.000 0.437 303 S N -1.196 114.467 115.700 -0.061 0.000 2.857 303 S HA -0.192 4.276 4.470 -0.003 0.000 0.268 303 S C 0.495 174.936 174.600 -0.265 0.000 1.297 303 S CA 0.743 58.856 58.200 -0.144 0.000 1.280 303 S CB -1.379 61.733 63.200 -0.147 0.000 1.562 303 S HN 0.842 nan 8.310 nan 0.000 0.661 304 A N 1.145 123.726 122.820 -0.399 0.000 2.466 304 A HA 0.572 4.891 4.320 -0.003 0.000 0.238 304 A C 1.152 178.160 177.584 -0.959 0.000 1.074 304 A CA 0.498 52.183 52.037 -0.586 0.000 0.774 304 A CB -0.061 18.483 19.000 -0.760 0.000 1.015 304 A HN 1.072 nan 8.150 nan 0.000 0.498 305 I N -1.158 118.988 120.570 -0.706 0.000 3.974 305 I HA 0.595 4.764 4.170 -0.003 0.000 0.334 305 I C 0.512 176.356 176.117 -0.455 0.000 1.437 305 I CA 0.293 61.282 61.300 -0.520 0.000 1.113 305 I CB -0.337 37.509 38.000 -0.256 0.000 1.063 305 I HN 0.884 nan 8.210 nan 0.000 0.400 306 G N 1.018 109.390 108.800 -0.714 0.000 2.356 306 G HA2 0.257 4.216 3.960 -0.003 0.000 0.288 306 G HA3 0.257 4.216 3.960 -0.003 0.000 0.288 306 G C -1.665 172.896 174.900 -0.566 0.000 1.302 306 G CA -0.886 43.984 45.100 -0.383 0.000 0.887 306 G HN 0.085 nan 8.290 nan 0.000 0.521 307 F N 0.079 120.115 119.950 0.143 0.000 2.561 307 F HA 0.815 5.340 4.527 -0.003 0.000 0.321 307 F C 0.582 176.616 175.800 0.390 0.000 1.065 307 F CA -0.771 57.385 58.000 0.260 0.000 0.934 307 F CB 2.652 41.874 39.000 0.371 0.000 1.215 307 F HN 0.513 nan 8.300 nan 0.000 0.471 308 S N 1.713 117.737 115.700 0.540 0.000 2.519 308 S HA 0.469 4.938 4.470 -0.003 0.000 0.309 308 S C -0.653 174.067 174.600 0.200 0.000 1.100 308 S CA -0.774 57.660 58.200 0.389 0.000 1.059 308 S CB 0.775 64.167 63.200 0.320 0.000 1.008 308 S HN 0.716 nan 8.310 nan 0.000 0.478 309 R N 3.696 124.027 120.500 -0.282 0.000 2.489 309 R HA 0.316 4.654 4.340 -0.003 0.000 0.287 309 R C -0.908 175.140 176.300 -0.421 0.000 1.053 309 R CA -0.087 55.603 56.100 -0.683 0.000 1.036 309 R CB 0.248 29.773 30.300 -1.292 0.000 0.966 309 R HN 0.511 nan 8.270 nan 0.000 0.432 310 V N 8.307 127.969 119.914 -0.421 0.000 2.432 310 V HA 0.244 4.363 4.120 -0.003 0.000 0.275 310 V C -1.889 173.914 176.094 -0.485 0.000 1.043 310 V CA -1.887 60.037 62.300 -0.628 0.000 0.925 310 V CB 1.283 32.883 31.823 -0.372 0.000 0.985 310 V HN 0.865 nan 8.190 nan 0.000 0.466 311 P HA 0.112 nan 4.420 nan 0.000 0.266 311 P C -1.995 175.181 177.300 -0.205 0.000 1.195 311 P CA -0.857 62.069 63.100 -0.291 0.000 0.768 311 P CB 0.146 31.708 31.700 -0.230 0.000 0.838 312 P HA -0.200 nan 4.420 nan 0.000 0.216 312 P C 1.456 178.702 177.300 -0.090 0.000 1.153 312 P CA 1.386 64.421 63.100 -0.109 0.000 0.858 312 P CB 0.060 31.707 31.700 -0.087 0.000 0.789 313 R N -0.117 120.334 120.500 -0.082 0.000 2.241 313 R HA 0.006 4.345 4.340 -0.003 0.000 0.224 313 R C 0.577 176.839 176.300 -0.064 0.000 1.101 313 R CA 0.563 56.623 56.100 -0.067 0.000 0.995 313 R CB -1.418 28.847 30.300 -0.058 0.000 0.870 313 R HN 0.166 nan 8.270 nan 0.000 0.463 314 I N 2.085 122.613 120.570 -0.072 0.000 2.496 314 I HA 0.053 4.222 4.170 -0.003 0.000 0.285 314 I C 0.098 176.188 176.117 -0.044 0.000 1.080 314 I CA -0.358 60.916 61.300 -0.043 0.000 1.404 314 I CB 0.775 38.760 38.000 -0.026 0.000 1.403 314 I HN 0.241 nan 8.210 nan 0.000 0.539 315 D N 3.335 123.710 120.400 -0.042 0.000 2.621 315 D HA 0.206 4.845 4.640 -0.003 0.000 0.255 315 D C 0.933 177.206 176.300 -0.045 0.000 1.122 315 D CA -0.516 53.450 54.000 -0.056 0.000 1.096 315 D CB 0.653 41.409 40.800 -0.073 0.000 1.282 315 D HN 0.430 nan 8.370 nan 0.000 0.619 316 S N -0.879 114.785 115.700 -0.061 0.000 2.359 316 S HA -0.107 4.361 4.470 -0.003 0.000 0.224 316 S C 2.111 176.625 174.600 -0.143 0.000 1.035 316 S CA 1.482 59.663 58.200 -0.032 0.000 1.018 316 S CB -1.508 61.689 63.200 -0.005 0.000 0.876 316 S HN 0.705 nan 8.310 nan 0.000 0.448 317 G N 2.061 110.593 108.800 -0.446 0.000 2.459 317 G HA2 -0.094 3.864 3.960 -0.003 0.000 0.217 317 G HA3 -0.094 3.864 3.960 -0.003 0.000 0.217 317 G C 1.519 176.050 174.900 -0.616 0.000 1.183 317 G CA 1.040 45.407 45.100 -1.221 0.000 0.776 317 G HN 0.504 nan 8.290 nan 0.000 0.552 318 L N -0.983 120.065 121.223 -0.293 0.000 2.079 318 L HA -0.120 4.218 4.340 -0.003 0.000 0.210 318 L C 2.598 179.468 176.870 -0.001 0.000 1.081 318 L CA 1.351 56.120 54.840 -0.119 0.000 0.752 318 L CB -0.458 41.565 42.059 -0.059 0.000 0.896 318 L HN 0.330 nan 8.230 nan 0.000 0.433 319 Y N 0.643 120.911 120.300 -0.053 0.000 2.181 319 Y HA -0.247 4.302 4.550 -0.003 0.000 0.288 319 Y C 2.319 178.280 175.900 0.102 0.000 1.146 319 Y CA 1.569 59.709 58.100 0.066 0.000 1.164 319 Y CB -0.102 38.408 38.460 0.083 0.000 0.982 319 Y HN 0.021 nan 8.280 nan 0.000 0.515 320 L N -0.148 121.186 121.223 0.186 0.000 2.291 320 L HA 0.086 4.425 4.340 -0.003 0.000 0.214 320 L C 1.118 178.087 176.870 0.165 0.000 1.120 320 L CA 0.593 55.571 54.840 0.230 0.000 0.799 320 L CB -1.230 40.998 42.059 0.281 0.000 0.925 320 L HN 0.472 nan 8.230 nan 0.000 0.446 321 G N -0.446 108.391 108.800 0.061 0.000 2.705 321 G HA2 -0.235 3.723 3.960 -0.003 0.000 0.686 321 G HA3 -0.235 3.723 3.960 -0.003 0.000 0.686 321 G C 0.661 175.644 174.900 0.138 0.000 1.285 321 G CA -0.121 45.015 45.100 0.060 0.000 0.800 321 G HN 0.215 nan 8.290 nan 0.000 0.611 322 S N 0.650 116.413 115.700 0.104 0.000 2.368 322 S HA 0.005 4.474 4.470 -0.003 0.000 0.225 322 S C 2.667 177.360 174.600 0.154 0.000 1.030 322 S CA 2.091 60.380 58.200 0.149 0.000 0.999 322 S CB -0.736 62.514 63.200 0.084 0.000 0.844 322 S HN 2.228 nan 8.310 nan 0.000 0.459 323 G N 0.718 109.588 108.800 0.116 0.000 2.480 323 G HA2 -0.250 3.709 3.960 -0.003 0.000 0.216 323 G HA3 -0.250 3.709 3.960 -0.003 0.000 0.216 323 G C 1.379 176.380 174.900 0.169 0.000 1.200 323 G CA 1.103 46.269 45.100 0.110 0.000 0.782 323 G HN 0.526 nan 8.290 nan 0.000 0.554 324 Y N 0.557 120.888 120.300 0.052 0.000 2.242 324 Y HA 0.006 4.555 4.550 -0.003 0.000 0.291 324 Y C 2.315 178.276 175.900 0.101 0.000 1.137 324 Y CA 0.671 58.802 58.100 0.052 0.000 1.181 324 Y CB -0.693 37.796 38.460 0.049 0.000 0.989 324 Y HN 0.177 nan 8.280 nan 0.000 0.527 325 F N 0.970 120.883 119.950 -0.062 0.000 2.102 325 F HA -0.184 4.341 4.527 -0.003 0.000 0.298 325 F C 2.593 178.331 175.800 -0.102 0.000 1.105 325 F CA 2.457 60.388 58.000 -0.116 0.000 1.239 325 F CB -0.987 38.022 39.000 0.014 0.000 0.991 325 F HN 0.135 nan 8.300 nan 0.000 0.474 326 T N -1.801 112.711 114.554 -0.070 0.000 3.055 326 T HA 0.129 4.478 4.350 -0.003 0.000 0.265 326 T C 2.043 176.648 174.700 -0.158 0.000 1.111 326 T CA 0.654 62.648 62.100 -0.176 0.000 1.118 326 T CB -0.758 68.082 68.868 -0.046 0.000 0.909 326 T HN 0.238 nan 8.240 nan 0.000 0.501 327 A N 1.952 124.711 122.820 -0.102 0.000 1.929 327 A HA 0.157 4.475 4.320 -0.003 0.000 0.216 327 A C 2.294 179.779 177.584 -0.165 0.000 1.176 327 A CA 0.831 52.826 52.037 -0.070 0.000 0.628 327 A CB -0.553 18.481 19.000 0.056 0.000 0.816 327 A HN 0.443 nan 8.150 nan 0.000 0.444 328 I N 0.216 120.588 120.570 -0.329 0.000 2.099 328 I HA -0.297 3.872 4.170 -0.003 0.000 0.239 328 I C 2.614 178.486 176.117 -0.408 0.000 1.066 328 I CA 1.754 62.762 61.300 -0.487 0.000 1.324 328 I CB -1.783 35.641 38.000 -0.960 0.000 1.037 328 I HN 0.469 nan 8.210 nan 0.000 0.401 329 Q N 0.520 120.061 119.800 -0.433 0.000 2.133 329 Q HA -0.242 4.096 4.340 -0.003 0.000 0.208 329 Q C 1.891 177.812 176.000 -0.131 0.000 0.991 329 Q CA 1.923 57.573 55.803 -0.255 0.000 0.867 329 Q CB -0.410 28.168 28.738 -0.266 0.000 0.911 329 Q HN 0.626 nan 8.270 nan 0.000 0.417 330 N N 0.181 118.811 118.700 -0.117 0.000 2.453 330 N HA -0.083 4.656 4.740 -0.003 0.000 0.183 330 N C 1.308 176.828 175.510 0.016 0.000 1.041 330 N CA 0.227 53.253 53.050 -0.040 0.000 0.900 330 N CB 0.005 38.468 38.487 -0.040 0.000 0.961 330 N HN 0.224 nan 8.380 nan 0.000 0.443 331 L N 0.240 121.443 121.223 -0.032 0.000 2.551 331 L HA -0.026 4.313 4.340 -0.003 0.000 0.228 331 L C 0.873 177.784 176.870 0.069 0.000 1.153 331 L CA 0.802 55.628 54.840 -0.024 0.000 0.851 331 L CB 0.058 42.063 42.059 -0.090 0.000 0.959 331 L HN 0.074 nan 8.230 nan 0.000 0.451 332 R N -0.668 119.899 120.500 0.111 0.000 2.613 332 R HA 0.235 4.573 4.340 -0.003 0.000 0.361 332 R C -0.490 175.926 176.300 0.192 0.000 1.072 332 R CA 0.017 56.225 56.100 0.181 0.000 1.089 332 R CB 0.498 30.852 30.300 0.091 0.000 1.343 332 R HN 0.069 nan 8.270 nan 0.000 0.571 333 K N -0.122 120.400 120.400 0.203 0.000 2.443 333 K HA 0.420 4.738 4.320 -0.003 0.000 0.251 333 K C -0.481 176.115 176.600 -0.005 0.000 0.972 333 K CA -0.843 55.487 56.287 0.072 0.000 0.833 333 K CB 2.190 34.705 32.500 0.025 0.000 1.317 333 K HN 0.043 nan 8.250 nan 0.000 0.441 334 S N -0.129 115.490 115.700 -0.135 0.000 2.632 334 S HA 0.135 4.604 4.470 -0.003 0.000 0.271 334 S C 0.833 175.351 174.600 -0.137 0.000 1.260 334 S CA -0.591 57.456 58.200 -0.255 0.000 1.010 334 S CB 1.144 64.191 63.200 -0.256 0.000 0.965 334 S HN 0.607 nan 8.310 nan 0.000 0.534 335 E N 0.955 121.071 120.200 -0.141 0.000 2.209 335 E HA -0.190 4.158 4.350 -0.003 0.000 0.196 335 E C 1.338 177.893 176.600 -0.074 0.000 0.993 335 E CA 1.448 57.800 56.400 -0.081 0.000 0.819 335 E CB -0.114 29.540 29.700 -0.077 0.000 0.745 335 E HN 0.733 nan 8.360 nan 0.000 0.477 336 E N 0.770 120.917 120.200 -0.089 0.000 2.112 336 E HA -0.138 4.210 4.350 -0.003 0.000 0.190 336 E C 1.862 178.426 176.600 -0.060 0.000 0.979 336 E CA 0.797 57.154 56.400 -0.071 0.000 0.814 336 E CB -0.055 29.600 29.700 -0.075 0.000 0.762 336 E HN 0.295 nan 8.360 nan 0.000 0.460 337 E N 0.396 120.557 120.200 -0.064 0.000 2.106 337 E HA -0.136 4.213 4.350 -0.003 0.000 0.192 337 E C 1.776 178.353 176.600 -0.039 0.000 0.984 337 E CA 0.943 57.313 56.400 -0.050 0.000 0.806 337 E CB 0.151 29.822 29.700 -0.050 0.000 0.750 337 E HN 0.062 nan 8.360 nan 0.000 0.458 338 V N 1.038 120.929 119.914 -0.038 0.000 2.358 338 V HA -0.200 3.918 4.120 -0.003 0.000 0.246 338 V C 2.400 178.476 176.094 -0.030 0.000 1.047 338 V CA 1.753 64.035 62.300 -0.030 0.000 1.035 338 V CB -0.520 31.289 31.823 -0.024 0.000 0.658 338 V HN 0.471 nan 8.190 nan 0.000 0.452 339 A N -0.297 122.503 122.820 -0.034 0.000 2.015 339 A HA 0.002 4.320 4.320 -0.003 0.000 0.219 339 A C 2.344 179.911 177.584 -0.028 0.000 1.163 339 A CA 1.728 53.746 52.037 -0.031 0.000 0.646 339 A CB -0.525 18.453 19.000 -0.036 0.000 0.806 339 A HN 0.546 nan 8.150 nan 0.000 0.448 340 A N -0.015 122.787 122.820 -0.031 0.000 1.929 340 A HA -0.055 4.264 4.320 -0.003 0.000 0.216 340 A C 2.148 179.718 177.584 -0.023 0.000 1.176 340 A CA 1.790 53.810 52.037 -0.029 0.000 0.628 340 A CB -0.362 18.619 19.000 -0.032 0.000 0.816 340 A HN 0.466 nan 8.150 nan 0.000 0.444 341 R N -0.050 120.437 120.500 -0.023 0.000 2.092 341 R HA -0.004 4.335 4.340 -0.003 0.000 0.231 341 R C 2.090 178.383 176.300 -0.012 0.000 1.119 341 R CA 1.697 57.786 56.100 -0.018 0.000 0.970 341 R CB -0.506 29.783 30.300 -0.019 0.000 0.864 341 R HN 0.448 nan 8.270 nan 0.000 0.440 342 R N -0.633 119.859 120.500 -0.013 0.000 2.152 342 R HA 0.025 4.364 4.340 -0.003 0.000 0.232 342 R C 1.893 178.191 176.300 -0.004 0.000 1.117 342 R CA 1.391 57.486 56.100 -0.008 0.000 0.981 342 R CB -0.161 30.132 30.300 -0.012 0.000 0.870 342 R HN 0.354 nan 8.270 nan 0.000 0.451 343 A N 0.996 123.811 122.820 -0.009 0.000 2.081 343 A HA -0.018 4.300 4.320 -0.003 0.000 0.214 343 A C 0.833 178.416 177.584 -0.001 0.000 1.158 343 A CA 0.107 52.140 52.037 -0.007 0.000 0.724 343 A CB -0.128 18.862 19.000 -0.016 0.000 0.826 343 A HN 0.281 nan 8.150 nan 0.000 0.463 344 R N -0.668 119.830 120.500 -0.004 0.000 2.500 344 R HA 0.572 4.911 4.340 -0.003 0.000 0.277 344 R C -1.488 174.821 176.300 0.015 0.000 1.026 344 R CA -0.426 55.672 56.100 -0.004 0.000 1.058 344 R CB 1.123 31.412 30.300 -0.018 0.000 1.078 344 R HN -0.095 nan 8.270 nan 0.000 0.509 345 V N 3.646 123.576 119.914 0.026 0.000 2.347 345 V HA 0.220 4.339 4.120 -0.003 0.000 0.280 345 V C -0.368 175.768 176.094 0.070 0.000 1.021 345 V CA -0.785 61.559 62.300 0.074 0.000 0.847 345 V CB 1.536 33.452 31.823 0.155 0.000 0.990 345 V HN 0.589 nan 8.190 nan 0.000 0.444 346 V N 4.991 124.943 119.914 0.063 0.000 2.348 346 V HA 0.270 4.389 4.120 -0.003 0.000 0.270 346 V C -0.005 176.152 176.094 0.106 0.000 1.037 346 V CA -0.591 61.747 62.300 0.063 0.000 0.872 346 V CB 0.976 32.814 31.823 0.024 0.000 1.002 346 V HN 0.833 nan 8.190 nan 0.000 0.464 347 W N 4.677 125.957 121.300 -0.035 0.000 2.313 347 W HA 0.399 5.057 4.660 -0.003 0.000 0.328 347 W C -0.233 176.294 176.519 0.012 0.000 1.197 347 W CA -0.510 56.845 57.345 0.016 0.000 1.235 347 W CB 1.727 31.223 29.460 0.060 0.000 1.158 347 W HN 0.560 nan 8.180 nan 0.000 0.578 348 c N 5.098 123.611 118.600 -0.144 0.000 2.281 348 c HA 0.736 5.304 4.570 -0.003 0.000 0.325 348 c C 0.225 174.363 174.090 0.080 0.000 1.282 348 c CA -0.327 55.978 56.329 -0.040 0.000 1.640 348 c CB -0.612 41.811 42.510 -0.145 0.000 2.288 348 c HN 0.576 nan 8.230 nan 0.000 0.507 349 A N 5.010 127.909 122.820 0.132 0.000 2.305 349 A HA 0.680 4.998 4.320 -0.003 0.000 0.322 349 A C -0.568 177.048 177.584 0.052 0.000 1.187 349 A CA -0.321 51.803 52.037 0.145 0.000 0.825 349 A CB 0.799 19.892 19.000 0.155 0.000 1.164 349 A HN 0.808 nan 8.150 nan 0.000 0.498 350 V N 2.719 122.656 119.914 0.038 0.000 2.288 350 V HA 0.625 4.743 4.120 -0.003 0.000 0.266 350 V C 0.747 176.829 176.094 -0.020 0.000 1.048 350 V CA 0.886 63.174 62.300 -0.020 0.000 0.842 350 V CB -0.433 31.363 31.823 -0.046 0.000 1.064 350 V HN 1.865 nan 8.190 nan 0.000 0.472 351 G N 4.334 113.119 108.800 -0.026 0.000 2.629 351 G HA2 -0.089 3.870 3.960 -0.003 0.000 0.686 351 G HA3 -0.089 3.870 3.960 -0.003 0.000 0.686 351 G C -0.000 174.905 174.900 0.008 0.000 1.232 351 G CA -0.206 44.879 45.100 -0.024 0.000 0.803 351 G HN 0.614 nan 8.290 nan 0.000 0.638 352 E N 0.166 120.369 120.200 0.004 0.000 2.153 352 E HA -0.098 4.251 4.350 -0.003 0.000 0.194 352 E C 2.533 179.155 176.600 0.036 0.000 0.988 352 E CA 1.838 58.249 56.400 0.018 0.000 0.811 352 E CB 0.006 29.712 29.700 0.010 0.000 0.746 352 E HN 0.630 nan 8.360 nan 0.000 0.466 353 Q N 0.438 120.263 119.800 0.042 0.000 2.084 353 Q HA -0.160 4.178 4.340 -0.003 0.000 0.202 353 Q C 1.974 178.023 176.000 0.082 0.000 0.978 353 Q CA 1.204 57.044 55.803 0.061 0.000 0.844 353 Q CB 0.068 28.847 28.738 0.069 0.000 0.898 353 Q HN 0.348 nan 8.270 nan 0.000 0.426 354 E N 0.123 120.375 120.200 0.086 0.000 2.107 354 E HA -0.174 4.174 4.350 -0.003 0.000 0.191 354 E C 1.968 178.640 176.600 0.121 0.000 0.982 354 E CA 0.581 57.050 56.400 0.115 0.000 0.809 354 E CB -0.022 29.751 29.700 0.121 0.000 0.756 354 E HN 0.185 nan 8.360 nan 0.000 0.459 355 L N 1.518 122.796 121.223 0.092 0.000 2.046 355 L HA -0.176 4.162 4.340 -0.003 0.000 0.208 355 L C 2.367 179.283 176.870 0.077 0.000 1.077 355 L CA 1.698 56.589 54.840 0.085 0.000 0.747 355 L CB -0.333 41.759 42.059 0.054 0.000 0.896 355 L HN -0.075 nan 8.230 nan 0.000 0.432 356 R N -0.247 120.294 120.500 0.069 0.000 2.070 356 R HA -0.234 4.105 4.340 -0.003 0.000 0.233 356 R C 2.489 178.837 176.300 0.080 0.000 1.137 356 R CA 2.054 58.190 56.100 0.061 0.000 0.945 356 R CB -0.317 30.016 30.300 0.056 0.000 0.845 356 R HN 0.407 nan 8.270 nan 0.000 0.430 357 K N -0.126 120.342 120.400 0.113 0.000 2.097 357 K HA -0.186 4.132 4.320 -0.003 0.000 0.206 357 K C 2.162 178.873 176.600 0.184 0.000 1.049 357 K CA 1.603 57.989 56.287 0.164 0.000 0.933 357 K CB -0.360 32.248 32.500 0.181 0.000 0.717 357 K HN 0.327 nan 8.250 nan 0.000 0.442 358 c N 1.551 120.254 118.600 0.171 0.000 2.432 358 c HA -0.066 4.503 4.570 -0.003 0.000 0.277 358 c C 2.376 176.514 174.090 0.081 0.000 1.249 358 c CA 1.133 57.577 56.329 0.190 0.000 1.725 358 c CB -1.256 41.363 42.510 0.182 0.000 2.028 358 c HN 0.575 nan 8.230 nan 0.000 0.477 359 N N 0.398 119.121 118.700 0.038 0.000 2.104 359 N HA -0.194 4.545 4.740 -0.003 0.000 0.190 359 N C 1.785 177.251 175.510 -0.074 0.000 1.024 359 N CA 1.632 54.670 53.050 -0.021 0.000 0.853 359 N CB -0.792 37.691 38.487 -0.008 0.000 1.008 359 N HN 0.756 nan 8.380 nan 0.000 0.424 360 Q N -0.734 119.021 119.800 -0.074 0.000 2.096 360 Q HA -0.173 4.165 4.340 -0.003 0.000 0.204 360 Q C 1.909 177.650 176.000 -0.431 0.000 0.982 360 Q CA 1.371 57.062 55.803 -0.187 0.000 0.850 360 Q CB -0.210 28.463 28.738 -0.107 0.000 0.901 360 Q HN 0.469 nan 8.270 nan 0.000 0.422 361 W N 0.461 121.330 121.300 -0.718 0.000 2.388 361 W HA -0.071 4.588 4.660 -0.002 0.000 0.294 361 W C 2.382 178.627 176.519 -0.457 0.000 1.212 361 W CA 1.439 58.225 57.345 -0.932 0.000 1.271 361 W CB -0.928 28.217 29.460 -0.525 0.000 1.126 361 W HN 0.147 nan 8.180 nan 0.000 0.535 362 S N 0.104 115.617 115.700 -0.312 0.000 2.343 362 S HA -0.125 4.344 4.470 -0.003 0.000 0.219 362 S C 2.164 176.636 174.600 -0.214 0.000 1.033 362 S CA 2.168 60.169 58.200 -0.331 0.000 1.014 362 S CB -1.293 61.778 63.200 -0.215 0.000 0.915 362 S HN 0.343 nan 8.310 nan 0.000 0.435 363 G N 0.187 108.886 108.800 -0.169 0.000 2.564 363 G HA2 -0.094 3.864 3.960 -0.003 0.000 0.217 363 G HA3 -0.094 3.864 3.960 -0.003 0.000 0.217 363 G C 1.022 175.859 174.900 -0.106 0.000 1.120 363 G CA 0.819 45.847 45.100 -0.120 0.000 0.752 363 G HN 0.530 nan 8.290 nan 0.000 0.558 364 L N 0.431 121.573 121.223 -0.135 0.000 3.016 364 L HA 0.193 4.532 4.340 -0.003 0.000 0.267 364 L C 2.018 178.976 176.870 0.147 0.000 1.182 364 L CA 0.484 55.308 54.840 -0.026 0.000 0.997 364 L CB 0.869 42.820 42.059 -0.181 0.000 1.354 364 L HN 0.179 nan 8.230 nan 0.000 0.569 365 S N -1.544 114.179 115.700 0.038 0.000 2.671 365 S HA 0.059 4.528 4.470 -0.003 0.000 0.220 365 S C 0.587 175.233 174.600 0.077 0.000 0.951 365 S CA -0.282 57.971 58.200 0.088 0.000 0.932 365 S CB -0.351 62.756 63.200 -0.154 0.000 0.777 365 S HN 0.425 nan 8.310 nan 0.000 0.508 366 E N 0.462 120.698 120.200 0.061 0.000 2.440 366 E HA -0.242 4.107 4.350 -0.003 0.000 0.246 366 E C 0.891 177.495 176.600 0.006 0.000 1.165 366 E CA 0.307 56.732 56.400 0.041 0.000 0.726 366 E CB -2.145 27.598 29.700 0.072 0.000 1.271 366 E HN 1.013 nan 8.360 nan 0.000 0.397 367 G N -0.506 108.281 108.800 -0.022 0.000 2.179 367 G HA2 -0.426 3.533 3.960 -0.003 0.000 0.260 367 G HA3 -0.426 3.533 3.960 -0.003 0.000 0.260 367 G C 0.902 175.774 174.900 -0.047 0.000 0.977 367 G CA 1.023 46.100 45.100 -0.039 0.000 0.641 367 G HN 0.870 nan 8.290 nan 0.000 0.533 368 S N -1.454 114.221 115.700 -0.041 0.000 2.496 368 S HA 0.529 4.997 4.470 -0.003 0.000 0.224 368 S C 0.688 175.235 174.600 -0.088 0.000 0.996 368 S CA 0.889 59.067 58.200 -0.036 0.000 0.927 368 S CB 0.682 63.892 63.200 0.017 0.000 0.774 368 S HN 1.018 nan 8.310 nan 0.000 0.524 369 V N 0.872 120.668 119.914 -0.197 0.000 2.709 369 V HA 0.695 4.814 4.120 -0.003 0.000 0.308 369 V C -0.281 175.646 176.094 -0.279 0.000 1.062 369 V CA -0.469 61.640 62.300 -0.318 0.000 0.901 369 V CB 1.775 33.115 31.823 -0.805 0.000 1.003 369 V HN 0.393 nan 8.190 nan 0.000 0.425 370 T N 2.961 117.416 114.554 -0.164 0.000 2.864 370 T HA 0.663 5.011 4.350 -0.003 0.000 0.289 370 T C -0.848 173.834 174.700 -0.031 0.000 1.082 370 T CA -0.213 61.827 62.100 -0.100 0.000 1.009 370 T CB 1.589 70.423 68.868 -0.056 0.000 1.234 370 T HN 0.792 nan 8.240 nan 0.000 0.526 371 c N 1.110 119.708 118.600 -0.003 0.000 2.719 371 c HA 0.973 5.541 4.570 -0.003 0.000 0.327 371 c C 0.076 174.195 174.090 0.047 0.000 1.238 371 c CA -0.597 55.766 56.329 0.058 0.000 1.727 371 c CB 1.414 43.961 42.510 0.061 0.000 2.256 371 c HN 0.913 nan 8.230 nan 0.000 0.489 372 S N 0.200 115.938 115.700 0.064 0.000 2.625 372 S HA 0.913 5.382 4.470 -0.003 0.000 0.271 372 S C -1.076 173.546 174.600 0.037 0.000 1.161 372 S CA 0.001 58.222 58.200 0.034 0.000 0.820 372 S CB 1.687 64.899 63.200 0.019 0.000 1.137 372 S HN 1.577 nan 8.310 nan 0.000 0.470 373 S N 0.673 116.382 115.700 0.015 0.000 2.587 373 S HA 0.918 5.386 4.470 -0.003 0.000 0.269 373 S C -0.859 173.732 174.600 -0.015 0.000 1.154 373 S CA -0.206 57.999 58.200 0.008 0.000 0.824 373 S CB 0.843 64.056 63.200 0.021 0.000 1.118 373 S HN 1.848 nan 8.310 nan 0.000 0.462 374 A N 0.618 123.421 122.820 -0.030 0.000 2.588 374 A HA 0.841 5.159 4.320 -0.003 0.000 0.290 374 A C 0.450 177.998 177.584 -0.059 0.000 1.136 374 A CA -0.139 51.870 52.037 -0.047 0.000 0.681 374 A CB 0.759 19.722 19.000 -0.061 0.000 1.282 374 A HN 1.847 nan 8.150 nan 0.000 0.421 375 S N -0.970 114.689 115.700 -0.069 0.000 2.548 375 S HA 0.291 4.760 4.470 -0.003 0.000 0.215 375 S C 0.706 175.238 174.600 -0.113 0.000 0.976 375 S CA 0.975 59.124 58.200 -0.084 0.000 0.908 375 S CB -0.551 62.604 63.200 -0.075 0.000 0.781 375 S HN 1.805 nan 8.310 nan 0.000 0.519 376 T N -3.063 111.422 114.554 -0.116 0.000 2.901 376 T HA 0.497 4.845 4.350 -0.003 0.000 0.293 376 T C 0.660 175.255 174.700 -0.176 0.000 1.084 376 T CA -0.391 61.623 62.100 -0.144 0.000 1.008 376 T CB 1.287 70.080 68.868 -0.125 0.000 1.170 376 T HN -0.128 nan 8.240 nan 0.000 0.509 377 T N 0.661 115.059 114.554 -0.259 0.000 2.812 377 T HA -0.038 4.311 4.350 -0.003 0.000 0.264 377 T C 1.735 176.241 174.700 -0.323 0.000 1.042 377 T CA 1.391 63.261 62.100 -0.383 0.000 1.140 377 T CB -0.284 68.099 68.868 -0.809 0.000 0.870 377 T HN 0.708 nan 8.240 nan 0.000 0.445 378 E N 1.151 121.191 120.200 -0.267 0.000 2.077 378 E HA -0.165 4.183 4.350 -0.003 0.000 0.193 378 E C 1.885 178.405 176.600 -0.134 0.000 0.989 378 E CA 1.149 57.447 56.400 -0.169 0.000 0.800 378 E CB -0.195 29.440 29.700 -0.109 0.000 0.746 378 E HN 0.437 nan 8.360 nan 0.000 0.452 379 D N 0.271 120.597 120.400 -0.124 0.000 2.178 379 D HA -0.105 4.533 4.640 -0.003 0.000 0.202 379 D C 1.892 178.132 176.300 -0.099 0.000 0.974 379 D CA 0.563 54.505 54.000 -0.097 0.000 0.841 379 D CB -0.366 40.383 40.800 -0.085 0.000 0.953 379 D HN 0.157 nan 8.370 nan 0.000 0.478 380 c N 0.231 118.756 118.600 -0.124 0.000 2.457 380 c HA 0.028 4.597 4.570 -0.003 0.000 0.278 380 c C 2.775 176.790 174.090 -0.124 0.000 1.309 380 c CA -0.124 56.133 56.329 -0.121 0.000 1.735 380 c CB -0.853 41.572 42.510 -0.143 0.000 1.992 380 c HN 0.328 nan 8.230 nan 0.000 0.493 381 I N 1.105 121.593 120.570 -0.136 0.000 2.286 381 I HA -0.217 3.951 4.170 -0.003 0.000 0.248 381 I C 2.691 178.752 176.117 -0.093 0.000 1.115 381 I CA 1.611 62.839 61.300 -0.121 0.000 1.392 381 I CB -0.470 37.457 38.000 -0.121 0.000 1.065 381 I HN 0.297 nan 8.210 nan 0.000 0.418 382 A N 0.776 123.545 122.820 -0.085 0.000 1.930 382 A HA -0.115 4.203 4.320 -0.003 0.000 0.217 382 A C 2.261 179.811 177.584 -0.057 0.000 1.175 382 A CA 1.189 53.185 52.037 -0.069 0.000 0.627 382 A CB -0.692 18.267 19.000 -0.068 0.000 0.815 382 A HN 0.391 nan 8.150 nan 0.000 0.443 383 L N -0.511 120.678 121.223 -0.055 0.000 2.201 383 L HA -0.109 4.229 4.340 -0.003 0.000 0.212 383 L C 2.268 179.122 176.870 -0.026 0.000 1.105 383 L CA 0.607 55.428 54.840 -0.032 0.000 0.775 383 L CB -0.315 41.722 42.059 -0.035 0.000 0.913 383 L HN 0.242 nan 8.230 nan 0.000 0.440 384 V N -0.216 119.666 119.914 -0.053 0.000 2.591 384 V HA -0.182 3.936 4.120 -0.003 0.000 0.249 384 V C 2.261 178.339 176.094 -0.027 0.000 1.053 384 V CA 1.065 63.334 62.300 -0.053 0.000 1.068 384 V CB -0.115 31.655 31.823 -0.089 0.000 0.689 384 V HN 0.346 nan 8.190 nan 0.000 0.462 385 L N -0.409 120.795 121.223 -0.032 0.000 2.093 385 L HA -0.099 4.239 4.340 -0.003 0.000 0.208 385 L C 2.300 179.177 176.870 0.013 0.000 1.085 385 L CA 1.436 56.263 54.840 -0.021 0.000 0.755 385 L CB -0.490 41.545 42.059 -0.040 0.000 0.904 385 L HN 0.247 nan 8.230 nan 0.000 0.435 386 K N 0.002 120.414 120.400 0.020 0.000 2.487 386 K HA 0.090 4.408 4.320 -0.003 0.000 0.192 386 K C 1.280 178.021 176.600 0.234 0.000 1.027 386 K CA 0.613 56.961 56.287 0.100 0.000 1.054 386 K CB 0.209 32.732 32.500 0.038 0.000 0.824 386 K HN 0.415 nan 8.250 nan 0.000 0.510 387 G N 1.963 110.834 108.800 0.119 0.000 2.184 387 G HA2 -0.313 3.645 3.960 -0.003 0.000 0.264 387 G HA3 -0.313 3.645 3.960 -0.003 0.000 0.264 387 G C 0.570 175.514 174.900 0.072 0.000 0.975 387 G CA 0.589 45.744 45.100 0.092 0.000 0.642 387 G HN 0.479 nan 8.290 nan 0.000 0.536 388 E N -0.056 120.192 120.200 0.081 0.000 2.358 388 E HA 0.393 4.742 4.350 -0.003 0.000 0.195 388 E C 1.291 177.902 176.600 0.019 0.000 1.010 388 E CA 0.798 57.231 56.400 0.055 0.000 0.856 388 E CB 0.224 29.963 29.700 0.065 0.000 0.795 388 E HN 0.873 nan 8.360 nan 0.000 0.504 389 A N 0.436 123.256 122.820 -0.000 0.000 2.527 389 A HA 0.383 4.701 4.320 -0.003 0.000 0.293 389 A C -0.641 176.914 177.584 -0.047 0.000 1.117 389 A CA -0.760 51.259 52.037 -0.030 0.000 0.723 389 A CB 1.474 20.439 19.000 -0.058 0.000 1.313 389 A HN -0.121 nan 8.150 nan 0.000 0.411 390 D N -0.432 119.925 120.400 -0.072 0.000 2.626 390 D HA 0.423 5.062 4.640 -0.003 0.000 0.274 390 D C 0.623 176.821 176.300 -0.171 0.000 1.045 390 D CA 1.368 55.320 54.000 -0.080 0.000 0.925 390 D CB 0.744 41.529 40.800 -0.025 0.000 1.260 390 D HN 0.785 nan 8.370 nan 0.000 0.490 391 A N 0.615 123.235 122.820 -0.334 0.000 2.569 391 A HA 0.864 5.182 4.320 -0.003 0.000 0.290 391 A C -1.098 175.764 177.584 -1.204 0.000 1.136 391 A CA -0.603 51.059 52.037 -0.625 0.000 0.710 391 A CB 2.063 20.738 19.000 -0.542 0.000 1.303 391 A HN 0.127 nan 8.150 nan 0.000 0.413 392 M N -0.930 118.031 119.600 -1.065 0.000 2.822 392 M HA 0.525 5.003 4.480 -0.003 0.000 0.275 392 M C -1.228 174.910 176.300 -0.270 0.000 1.084 392 M CA -0.410 54.366 55.300 -0.874 0.000 0.814 392 M CB 1.235 33.533 32.600 -0.502 0.000 1.693 392 M HN 0.777 nan 8.290 nan 0.000 0.531 393 S N 1.360 117.064 115.700 0.006 0.000 2.480 393 S HA 0.862 5.331 4.470 -0.003 0.000 0.286 393 S C -1.055 173.610 174.600 0.108 0.000 1.180 393 S CA -0.608 57.681 58.200 0.148 0.000 1.075 393 S CB 0.587 63.916 63.200 0.214 0.000 0.996 393 S HN 0.589 nan 8.310 nan 0.000 0.487 394 L N 3.018 124.312 121.223 0.118 0.000 2.371 394 L HA 0.501 4.839 4.340 -0.003 0.000 0.262 394 L C -0.372 176.466 176.870 -0.054 0.000 1.006 394 L CA -1.116 53.779 54.840 0.092 0.000 0.818 394 L CB 2.079 44.213 42.059 0.126 0.000 1.354 394 L HN 0.617 nan 8.230 nan 0.000 0.415 395 D N 0.574 120.835 120.400 -0.232 0.000 2.357 395 D HA 0.151 4.789 4.640 -0.003 0.000 0.242 395 D C 1.295 177.591 176.300 -0.008 0.000 1.153 395 D CA 0.483 54.132 54.000 -0.585 0.000 0.918 395 D CB 1.732 42.289 40.800 -0.404 0.000 1.181 395 D HN 0.609 nan 8.370 nan 0.000 0.435 396 G N 1.671 110.588 108.800 0.195 0.000 2.475 396 G HA2 -0.233 3.726 3.960 -0.003 0.000 0.220 396 G HA3 -0.233 3.726 3.960 -0.003 0.000 0.220 396 G C 1.375 176.463 174.900 0.314 0.000 1.125 396 G CA 0.726 46.037 45.100 0.352 0.000 0.755 396 G HN 0.621 nan 8.290 nan 0.000 0.565 397 G N -0.368 108.514 108.800 0.137 0.000 2.432 397 G HA2 -0.135 3.823 3.960 -0.003 0.000 0.219 397 G HA3 -0.135 3.823 3.960 -0.003 0.000 0.219 397 G C 1.523 176.420 174.900 -0.005 0.000 1.135 397 G CA 0.822 45.919 45.100 -0.005 0.000 0.767 397 G HN 0.453 nan 8.290 nan 0.000 0.550 398 Y N 0.153 120.511 120.300 0.097 0.000 2.490 398 Y HA 0.141 4.689 4.550 -0.003 0.000 0.285 398 Y C 2.764 178.693 175.900 0.047 0.000 1.117 398 Y CA -0.479 57.649 58.100 0.046 0.000 1.262 398 Y CB -0.324 38.135 38.460 -0.002 0.000 1.043 398 Y HN 0.031 nan 8.280 nan 0.000 0.553 399 V N -0.489 119.569 119.914 0.239 0.000 2.594 399 V HA -0.314 3.804 4.120 -0.003 0.000 0.253 399 V C 2.030 178.193 176.094 0.116 0.000 1.069 399 V CA 1.807 64.218 62.300 0.185 0.000 1.082 399 V CB -0.910 31.083 31.823 0.283 0.000 0.680 399 V HN 0.460 nan 8.190 nan 0.000 0.469 400 Y N 1.529 121.852 120.300 0.040 0.000 2.109 400 Y HA -0.232 4.316 4.550 -0.003 0.000 0.285 400 Y C 2.698 178.466 175.900 -0.220 0.000 1.131 400 Y CA 2.350 60.407 58.100 -0.072 0.000 1.121 400 Y CB -0.714 37.723 38.460 -0.039 0.000 0.987 400 Y HN 0.166 nan 8.280 nan 0.000 0.495 401 T N 1.053 115.558 114.554 -0.082 0.000 2.684 401 T HA -0.247 4.101 4.350 -0.003 0.000 0.267 401 T C 2.077 176.624 174.700 -0.256 0.000 1.036 401 T CA 1.738 63.735 62.100 -0.171 0.000 1.148 401 T CB -0.876 68.024 68.868 0.054 0.000 0.863 401 T HN 0.527 nan 8.240 nan 0.000 0.436 402 A N 1.137 123.855 122.820 -0.170 0.000 1.940 402 A HA 0.081 4.399 4.320 -0.003 0.000 0.219 402 A C 2.580 179.998 177.584 -0.276 0.000 1.176 402 A CA 1.942 53.877 52.037 -0.170 0.000 0.631 402 A CB -1.272 17.675 19.000 -0.089 0.000 0.814 402 A HN 0.529 nan 8.150 nan 0.000 0.446 403 G N -0.540 107.959 108.800 -0.501 0.000 2.404 403 G HA2 -0.177 3.782 3.960 -0.003 0.000 0.215 403 G HA3 -0.177 3.782 3.960 -0.003 0.000 0.215 403 G C 1.555 175.993 174.900 -0.770 0.000 1.174 403 G CA 0.790 45.410 45.100 -0.800 0.000 0.780 403 G HN 0.434 nan 8.290 nan 0.000 0.537 404 K N -0.217 119.656 120.400 -0.878 0.000 2.442 404 K HA -0.034 4.284 4.320 -0.003 0.000 0.198 404 K C 1.668 178.110 176.600 -0.263 0.000 1.044 404 K CA 0.506 56.495 56.287 -0.496 0.000 0.948 404 K CB -0.256 31.922 32.500 -0.536 0.000 0.762 404 K HN 0.330 nan 8.250 nan 0.000 0.472 405 c N 0.031 118.482 118.600 -0.247 0.000 2.855 405 c HA 0.230 4.798 4.570 -0.003 0.000 0.279 405 c C 1.421 175.447 174.090 -0.107 0.000 1.270 405 c CA 0.184 56.427 56.329 -0.143 0.000 1.702 405 c CB -0.520 41.914 42.510 -0.125 0.000 1.949 405 c HN 0.708 nan 8.230 nan 0.000 0.618 406 G N 0.765 109.499 108.800 -0.110 0.000 2.175 406 G HA2 -0.193 3.766 3.960 -0.003 0.000 0.244 406 G HA3 -0.193 3.766 3.960 -0.003 0.000 0.244 406 G C 0.048 174.927 174.900 -0.035 0.000 0.982 406 G CA -0.109 44.961 45.100 -0.050 0.000 0.641 406 G HN 0.481 nan 8.290 nan 0.000 0.527 407 L N 0.292 121.478 121.223 -0.061 0.000 2.454 407 L HA 0.783 5.122 4.340 -0.003 0.000 0.256 407 L C 0.982 177.849 176.870 -0.006 0.000 1.136 407 L CA -0.772 54.043 54.840 -0.041 0.000 0.804 407 L CB 1.432 43.451 42.059 -0.066 0.000 1.181 407 L HN 0.396 nan 8.230 nan 0.000 0.469 408 V N -1.544 118.373 119.914 0.004 0.000 3.007 408 V HA 0.607 4.725 4.120 -0.003 0.000 0.311 408 V C -2.801 173.291 176.094 -0.003 0.000 1.120 408 V CA -2.468 59.850 62.300 0.031 0.000 0.980 408 V CB 1.792 33.638 31.823 0.039 0.000 1.033 408 V HN 0.488 nan 8.190 nan 0.000 0.429 409 P HA 0.449 nan 4.420 nan 0.000 0.275 409 P C 0.229 177.488 177.300 -0.068 0.000 1.227 409 P CA -0.033 63.000 63.100 -0.111 0.000 0.781 409 P CB 1.529 33.060 31.700 -0.282 0.000 0.906 410 V N 2.587 122.474 119.914 -0.046 0.000 2.996 410 V HA 0.245 4.364 4.120 -0.003 0.000 0.235 410 V C 0.632 176.729 176.094 0.005 0.000 1.205 410 V CA 0.711 63.012 62.300 0.002 0.000 1.225 410 V CB -0.265 31.585 31.823 0.045 0.000 0.995 410 V HN 0.347 nan 8.190 nan 0.000 0.484 411 L N -0.706 120.529 121.223 0.021 0.000 2.415 411 L HA 0.860 5.199 4.340 -0.003 0.000 0.256 411 L C -0.815 176.076 176.870 0.035 0.000 1.010 411 L CA -0.587 54.275 54.840 0.035 0.000 0.826 411 L CB 2.166 44.282 42.059 0.095 0.000 1.405 411 L HN 0.154 nan 8.230 nan 0.000 0.410 412 A N 0.327 123.173 122.820 0.042 0.000 2.354 412 A HA 0.650 4.969 4.320 -0.003 0.000 0.321 412 A C -0.843 176.747 177.584 0.010 0.000 1.125 412 A CA -0.558 51.524 52.037 0.074 0.000 0.799 412 A CB 1.089 20.188 19.000 0.165 0.000 1.293 412 A HN 0.718 nan 8.150 nan 0.000 0.452 413 E N 1.569 121.759 120.200 -0.017 0.000 2.223 413 E HA 0.108 4.457 4.350 -0.003 0.000 0.282 413 E C -0.841 175.402 176.600 -0.596 0.000 1.046 413 E CA -0.334 55.923 56.400 -0.239 0.000 0.857 413 E CB 0.605 30.239 29.700 -0.110 0.000 1.055 413 E HN 0.462 nan 8.360 nan 0.000 0.409 414 N N 2.676 121.071 118.700 -0.508 0.000 2.438 414 N HA 0.160 4.898 4.740 -0.003 0.000 0.282 414 N C -1.416 173.778 175.510 -0.527 0.000 1.037 414 N CA -0.183 52.581 53.050 -0.476 0.000 0.942 414 N CB 0.493 38.848 38.487 -0.219 0.000 1.136 414 N HN 0.259 nan 8.380 nan 0.000 0.481 415 Y N 0.503 120.750 120.300 -0.088 0.000 2.488 415 Y HA 0.292 4.840 4.550 -0.003 0.000 0.325 415 Y C 0.903 176.748 175.900 -0.091 0.000 1.204 415 Y CA -1.161 56.866 58.100 -0.121 0.000 1.229 415 Y CB 0.552 38.932 38.460 -0.134 0.000 1.274 415 Y HN 0.341 nan 8.280 nan 0.000 0.493 416 K N 2.127 122.572 120.400 0.075 0.000 2.264 416 K HA -0.006 4.313 4.320 -0.003 0.000 0.262 416 K C 0.335 176.949 176.600 0.022 0.000 1.247 416 K CA 0.081 56.378 56.287 0.017 0.000 1.248 416 K CB -0.138 32.357 32.500 -0.008 0.000 0.825 416 K HN 0.817 nan 8.250 nan 0.000 0.468 417 S N 3.574 119.281 115.700 0.011 0.000 2.572 417 S HA -0.090 4.379 4.470 -0.003 0.000 0.262 417 S C 0.276 174.876 174.600 -0.000 0.000 1.375 417 S CA -0.481 57.724 58.200 0.009 0.000 0.996 417 S CB 0.629 63.828 63.200 -0.002 0.000 0.892 417 S HN 0.707 nan 8.310 nan 0.000 0.562 418 Q N 0.608 120.406 119.800 -0.004 0.000 2.414 418 Q HA -0.014 4.324 4.340 -0.003 0.000 0.288 418 Q C 0.198 176.191 176.000 -0.011 0.000 1.086 418 Q CA 0.294 56.090 55.803 -0.011 0.000 0.943 418 Q CB 0.179 28.909 28.738 -0.013 0.000 1.282 418 Q HN 0.727 nan 8.270 nan 0.000 0.438 419 Q N 0.938 120.730 119.800 -0.013 0.000 1.561 419 Q HA -0.073 4.266 4.340 -0.003 0.000 0.080 419 Q C 0.657 176.650 176.000 -0.011 0.000 0.632 419 Q CA 0.503 56.298 55.803 -0.013 0.000 1.090 419 Q CB -0.760 27.970 28.738 -0.013 0.000 1.390 419 Q HN 0.395 nan 8.270 nan 0.000 0.280 420 S N -1.138 114.556 115.700 -0.010 0.000 2.593 420 S HA 0.037 4.506 4.470 -0.003 0.000 0.217 420 S C 0.372 174.967 174.600 -0.009 0.000 0.966 420 S CA -0.158 58.037 58.200 -0.009 0.000 0.914 420 S CB 0.230 63.424 63.200 -0.009 0.000 0.776 420 S HN 0.441 nan 8.310 nan 0.000 0.523 421 S N 2.778 118.472 115.700 -0.010 0.000 3.508 421 S HA -0.081 4.387 4.470 -0.003 0.000 0.422 421 S C -0.421 174.173 174.600 -0.010 0.000 1.146 421 S CA 0.794 58.988 58.200 -0.011 0.000 0.893 421 S CB -0.083 63.110 63.200 -0.013 0.000 0.629 421 S HN 0.518 nan 8.310 nan 0.000 0.468 422 D N 2.051 122.445 120.400 -0.010 0.000 2.692 422 D HA 0.073 4.712 4.640 -0.003 0.000 0.199 422 D C -3.023 173.272 176.300 -0.010 0.000 0.840 422 D CA -0.683 53.311 54.000 -0.010 0.000 1.011 422 D CB 0.043 40.838 40.800 -0.008 0.000 4.543 422 D HN 0.117 nan 8.370 nan 0.000 0.494 423 P HA -0.025 nan 4.420 nan 0.000 0.197 423 P C -0.372 176.924 177.300 -0.007 0.000 1.121 423 P CA 0.316 63.411 63.100 -0.009 0.000 1.318 423 P CB -0.100 31.595 31.700 -0.008 0.000 1.634 424 D N 3.458 123.853 120.400 -0.008 0.000 2.581 424 D HA -0.078 4.560 4.640 -0.003 0.000 0.238 424 D C -1.112 175.187 176.300 -0.002 0.000 1.145 424 D CA -1.159 52.839 54.000 -0.005 0.000 0.866 424 D CB 0.720 41.517 40.800 -0.005 0.000 1.151 424 D HN 0.177 nan 8.370 nan 0.000 0.500 425 P HA -0.081 nan 4.420 nan 0.000 0.215 425 P C -0.072 177.231 177.300 0.005 0.000 1.153 425 P CA 1.016 64.117 63.100 0.001 0.000 0.853 425 P CB 0.230 31.930 31.700 0.001 0.000 0.788 426 N N -1.612 117.093 118.700 0.009 0.000 2.758 426 N HA 0.046 4.785 4.740 -0.003 0.000 0.293 426 N C 0.897 176.419 175.510 0.019 0.000 1.273 426 N CA -0.162 52.898 53.050 0.017 0.000 1.022 426 N CB -0.908 37.592 38.487 0.023 0.000 1.334 426 N HN 0.108 nan 8.380 nan 0.000 0.519 427 c N -0.827 117.778 118.600 0.009 0.000 2.413 427 c HA -0.077 4.491 4.570 -0.003 0.000 0.276 427 c C 2.243 176.337 174.090 0.008 0.000 1.248 427 c CA 0.847 57.176 56.329 0.000 0.000 1.742 427 c CB -0.685 41.817 42.510 -0.014 0.000 2.017 427 c HN 0.383 nan 8.230 nan 0.000 0.481 428 V N 0.858 120.779 119.914 0.011 0.000 2.867 428 V HA -0.127 3.991 4.120 -0.003 0.000 0.260 428 V C 1.725 177.835 176.094 0.027 0.000 1.099 428 V CA 2.319 64.626 62.300 0.012 0.000 1.122 428 V CB -0.647 31.183 31.823 0.012 0.000 0.708 428 V HN 0.620 nan 8.190 nan 0.000 0.490 429 D N -1.013 119.426 120.400 0.066 0.000 2.433 429 D HA 0.102 4.740 4.640 -0.003 0.000 0.211 429 D C 1.065 177.510 176.300 0.242 0.000 1.114 429 D CA -0.164 53.927 54.000 0.152 0.000 0.837 429 D CB 0.413 41.292 40.800 0.132 0.000 0.984 429 D HN 0.315 nan 8.370 nan 0.000 0.505 430 R N 2.380 122.959 120.500 0.131 0.000 2.351 430 R HA 0.179 4.517 4.340 -0.003 0.000 0.318 430 R C -2.530 173.842 176.300 0.120 0.000 1.055 430 R CA -1.210 54.943 56.100 0.088 0.000 0.968 430 R CB 0.584 30.904 30.300 0.033 0.000 0.974 430 R HN -0.239 nan 8.270 nan 0.000 0.439 431 P HA -0.117 nan 4.420 nan 0.000 0.265 431 P C -0.535 176.802 177.300 0.061 0.000 1.187 431 P CA -0.162 62.988 63.100 0.083 0.000 0.766 431 P CB 0.499 32.166 31.700 -0.055 0.000 0.820 432 V N 0.546 120.510 119.914 0.082 0.000 2.924 432 V HA 0.161 4.279 4.120 -0.003 0.000 0.305 432 V C 0.753 176.856 176.094 0.016 0.000 1.073 432 V CA 0.226 62.548 62.300 0.037 0.000 1.098 432 V CB 0.433 32.295 31.823 0.065 0.000 1.000 432 V HN 0.581 nan 8.190 nan 0.000 0.484 433 E N 2.063 122.272 120.200 0.015 0.000 2.601 433 E HA 0.420 4.768 4.350 -0.003 0.000 0.219 433 E C 0.950 177.555 176.600 0.009 0.000 0.964 433 E CA 0.309 56.712 56.400 0.005 0.000 1.050 433 E CB 0.896 30.600 29.700 0.007 0.000 1.068 433 E HN 1.394 nan 8.360 nan 0.000 0.496 434 G N 1.886 110.719 108.800 0.056 0.000 2.855 434 G HA2 -0.274 3.684 3.960 -0.003 0.000 0.352 434 G HA3 -0.274 3.684 3.960 -0.003 0.000 0.352 434 G C -0.573 174.425 174.900 0.163 0.000 1.415 434 G CA -0.072 45.065 45.100 0.062 0.000 0.871 434 G HN 0.260 nan 8.290 nan 0.000 0.543 435 Y N -2.885 117.413 120.300 -0.004 0.000 2.698 435 Y HA 0.836 5.384 4.550 -0.003 0.000 0.332 435 Y C -0.062 175.755 175.900 -0.139 0.000 1.119 435 Y CA -1.912 56.145 58.100 -0.072 0.000 1.109 435 Y CB 1.116 39.506 38.460 -0.116 0.000 1.308 435 Y HN 0.582 nan 8.280 nan 0.000 0.499 436 L N 2.405 123.620 121.223 -0.012 0.000 2.287 436 L HA 0.749 5.087 4.340 -0.003 0.000 0.287 436 L C -0.154 176.712 176.870 -0.007 0.000 1.022 436 L CA -1.233 53.520 54.840 -0.144 0.000 0.814 436 L CB 1.524 43.463 42.059 -0.200 0.000 1.217 436 L HN 0.889 nan 8.230 nan 0.000 0.420 437 A N 4.287 127.091 122.820 -0.027 0.000 2.362 437 A HA 0.646 4.964 4.320 -0.003 0.000 0.276 437 A C -0.105 177.539 177.584 0.100 0.000 1.153 437 A CA -0.379 51.704 52.037 0.077 0.000 0.813 437 A CB 0.610 19.637 19.000 0.045 0.000 1.081 437 A HN 0.576 nan 8.150 nan 0.000 0.507 438 V N -0.944 119.044 119.914 0.124 0.000 3.141 438 V HA 0.964 5.082 4.120 -0.003 0.000 0.312 438 V C -0.018 176.161 176.094 0.143 0.000 1.157 438 V CA -0.591 61.771 62.300 0.104 0.000 1.041 438 V CB 1.546 33.405 31.823 0.060 0.000 1.071 438 V HN 1.596 nan 8.190 nan 0.000 0.441 439 A N 1.469 124.348 122.820 0.099 0.000 2.287 439 A HA 0.842 5.160 4.320 -0.003 0.000 0.317 439 A C -0.641 176.933 177.584 -0.016 0.000 1.220 439 A CA -0.598 51.459 52.037 0.034 0.000 0.835 439 A CB 1.072 20.176 19.000 0.174 0.000 1.180 439 A HN 1.296 nan 8.150 nan 0.000 0.500 440 V N 3.295 123.159 119.914 -0.083 0.000 2.513 440 V HA 0.707 4.825 4.120 -0.003 0.000 0.299 440 V C 0.175 176.271 176.094 0.003 0.000 1.035 440 V CA -0.407 61.896 62.300 0.006 0.000 0.889 440 V CB 1.227 33.079 31.823 0.048 0.000 0.988 440 V HN 1.129 nan 8.190 nan 0.000 0.440 441 V N 1.930 121.906 119.914 0.103 0.000 3.181 441 V HA 0.682 4.800 4.120 -0.003 0.000 0.308 441 V C -0.456 175.766 176.094 0.214 0.000 1.214 441 V CA -1.388 60.976 62.300 0.106 0.000 1.053 441 V CB 2.109 33.966 31.823 0.057 0.000 1.069 441 V HN 0.768 nan 8.190 nan 0.000 0.441 442 R N 0.883 121.464 120.500 0.135 0.000 2.491 442 R HA 0.364 4.702 4.340 -0.003 0.000 0.283 442 R C 1.411 177.699 176.300 -0.021 0.000 1.072 442 R CA -0.329 55.788 56.100 0.028 0.000 1.048 442 R CB 0.627 30.905 30.300 -0.036 0.000 0.983 442 R HN 0.776 nan 8.270 nan 0.000 0.450 443 R N 1.511 121.954 120.500 -0.094 0.000 2.127 443 R HA -0.162 4.177 4.340 -0.003 0.000 0.238 443 R C 1.555 177.828 176.300 -0.045 0.000 1.134 443 R CA 2.225 58.292 56.100 -0.056 0.000 0.975 443 R CB -0.030 30.218 30.300 -0.086 0.000 0.865 443 R HN 0.770 nan 8.270 nan 0.000 0.447 444 S N 0.524 116.185 115.700 -0.065 0.000 2.368 444 S HA -0.106 4.363 4.470 -0.003 0.000 0.224 444 S C 0.577 175.164 174.600 -0.021 0.000 1.029 444 S CA 0.898 59.072 58.200 -0.043 0.000 0.988 444 S CB -0.303 62.866 63.200 -0.051 0.000 0.838 444 S HN 0.212 nan 8.310 nan 0.000 0.462 445 D N 3.103 123.494 120.400 -0.015 0.000 2.669 445 D HA 0.094 4.733 4.640 -0.003 0.000 0.229 445 D C 1.286 177.591 176.300 0.009 0.000 1.092 445 D CA 0.630 54.630 54.000 -0.000 0.000 1.175 445 D CB -0.180 40.624 40.800 0.006 0.000 1.133 445 D HN 0.656 nan 8.370 nan 0.000 0.471 446 T N -2.788 111.769 114.554 0.005 0.000 2.881 446 T HA -0.223 4.125 4.350 -0.003 0.000 0.270 446 T C 1.928 176.638 174.700 0.018 0.000 1.068 446 T CA 1.214 63.321 62.100 0.011 0.000 1.131 446 T CB 0.027 68.899 68.868 0.005 0.000 0.871 446 T HN 0.232 nan 8.240 nan 0.000 0.479 447 S N 0.301 116.012 115.700 0.017 0.000 2.428 447 S HA 0.082 4.550 4.470 -0.003 0.000 0.230 447 S C 0.793 175.411 174.600 0.030 0.000 1.014 447 S CA -0.371 57.842 58.200 0.020 0.000 0.957 447 S CB -0.699 62.510 63.200 0.016 0.000 0.784 447 S HN 0.337 nan 8.310 nan 0.000 0.499 448 L N 3.729 124.973 121.223 0.035 0.000 2.534 448 L HA 0.347 4.685 4.340 -0.003 0.000 0.271 448 L C 0.560 177.474 176.870 0.072 0.000 1.178 448 L CA 0.920 55.790 54.840 0.049 0.000 0.907 448 L CB 0.219 42.306 42.059 0.047 0.000 1.164 448 L HN 0.552 nan 8.230 nan 0.000 0.482 449 T N 0.783 115.391 114.554 0.090 0.000 2.812 449 T HA 0.176 4.525 4.350 -0.003 0.000 0.294 449 T C 0.727 175.549 174.700 0.203 0.000 1.159 449 T CA -0.661 61.522 62.100 0.140 0.000 1.008 449 T CB 0.310 69.246 68.868 0.113 0.000 1.289 449 T HN 0.645 nan 8.240 nan 0.000 0.514 450 W N 1.208 122.540 121.300 0.053 0.000 2.342 450 W HA -0.159 4.500 4.660 -0.001 0.000 0.297 450 W C 1.156 177.709 176.519 0.058 0.000 1.213 450 W CA 1.485 58.873 57.345 0.072 0.000 1.251 450 W CB -0.200 29.297 29.460 0.063 0.000 1.136 450 W HN 0.680 nan 8.180 nan 0.000 0.526 451 N N 0.255 118.994 118.700 0.064 0.000 2.453 451 N HA -0.129 4.610 4.740 -0.003 0.000 0.183 451 N C 1.356 176.802 175.510 -0.107 0.000 1.041 451 N CA 1.730 54.746 53.050 -0.057 0.000 0.900 451 N CB -0.392 38.106 38.487 0.019 0.000 0.961 451 N HN 0.125 nan 8.380 nan 0.000 0.443 452 S N -1.244 114.418 115.700 -0.064 0.000 2.663 452 S HA 0.198 4.667 4.470 -0.003 0.000 0.243 452 S C 1.236 175.811 174.600 -0.042 0.000 1.009 452 S CA -0.514 57.654 58.200 -0.053 0.000 0.988 452 S CB 0.221 63.416 63.200 -0.009 0.000 0.896 452 S HN -0.022 nan 8.310 nan 0.000 0.502 453 V N 2.274 122.135 119.914 -0.088 0.000 2.719 453 V HA 0.049 4.167 4.120 -0.003 0.000 0.252 453 V C 0.731 176.861 176.094 0.060 0.000 1.065 453 V CA 0.917 63.227 62.300 0.018 0.000 1.086 453 V CB -0.496 31.336 31.823 0.016 0.000 0.700 453 V HN 0.630 nan 8.190 nan 0.000 0.467 454 K N 0.317 120.627 120.400 -0.149 0.000 2.448 454 K HA 0.413 4.731 4.320 -0.003 0.000 0.278 454 K C 1.008 177.553 176.600 -0.091 0.000 1.009 454 K CA 0.548 56.688 56.287 -0.245 0.000 0.995 454 K CB 0.253 32.543 32.500 -0.350 0.000 0.917 454 K HN 0.325 nan 8.250 nan 0.000 0.481 455 G N 1.353 110.123 108.800 -0.049 0.000 2.258 455 G HA2 -0.257 3.701 3.960 -0.003 0.000 0.233 455 G HA3 -0.257 3.701 3.960 -0.003 0.000 0.233 455 G C -0.059 174.932 174.900 0.153 0.000 1.006 455 G CA 0.112 45.239 45.100 0.044 0.000 0.620 455 G HN 0.524 nan 8.290 nan 0.000 0.511 456 K N 0.650 121.188 120.400 0.230 0.000 2.318 456 K HA 0.699 5.017 4.320 -0.003 0.000 0.243 456 K C 0.528 177.276 176.600 0.246 0.000 1.047 456 K CA -0.166 56.240 56.287 0.198 0.000 0.937 456 K CB 0.276 32.861 32.500 0.142 0.000 1.225 456 K HN 0.248 nan 8.250 nan 0.000 0.506 457 K N 0.352 120.818 120.400 0.111 0.000 2.172 457 K HA 0.329 4.647 4.320 -0.003 0.000 0.276 457 K C -0.607 175.933 176.600 -0.099 0.000 1.013 457 K CA -0.416 55.904 56.287 0.054 0.000 0.913 457 K CB 1.289 33.807 32.500 0.030 0.000 1.055 457 K HN 0.663 nan 8.250 nan 0.000 0.461 458 S N 0.757 116.340 115.700 -0.195 0.000 2.566 458 S HA 0.577 5.046 4.470 -0.003 0.000 0.298 458 S C -0.645 173.804 174.600 -0.251 0.000 1.083 458 S CA -0.932 57.021 58.200 -0.412 0.000 0.978 458 S CB 1.097 63.767 63.200 -0.883 0.000 1.073 458 S HN 0.560 nan 8.310 nan 0.000 0.491 459 c N 3.419 121.786 118.600 -0.389 0.000 2.340 459 c HA 0.676 5.245 4.570 -0.003 0.000 0.323 459 c C -0.289 173.630 174.090 -0.285 0.000 1.260 459 c CA -0.543 55.641 56.329 -0.242 0.000 1.464 459 c CB -0.375 41.969 42.510 -0.277 0.000 2.156 459 c HN 0.910 nan 8.230 nan 0.000 0.476 460 H N 1.090 120.235 119.070 0.125 0.000 2.679 460 H HA 0.278 4.833 4.556 -0.003 0.000 0.367 460 H C 0.863 176.249 175.328 0.097 0.000 1.162 460 H CA -0.137 56.030 56.048 0.198 0.000 1.181 460 H CB 1.922 31.860 29.762 0.294 0.000 1.693 460 H HN 0.678 nan 8.280 nan 0.000 0.538 461 T N -0.059 114.592 114.554 0.162 0.000 2.708 461 T HA 0.170 4.518 4.350 -0.003 0.000 0.266 461 T C 0.863 175.520 174.700 -0.071 0.000 1.037 461 T CA 0.834 62.893 62.100 -0.069 0.000 1.146 461 T CB 0.161 68.898 68.868 -0.219 0.000 0.865 461 T HN 0.755 nan 8.240 nan 0.000 0.435 462 A N -0.465 122.388 122.820 0.054 0.000 2.522 462 A HA 0.539 4.857 4.320 -0.003 0.000 0.294 462 A C -0.839 176.705 177.584 -0.066 0.000 1.001 462 A CA -0.807 51.268 52.037 0.064 0.000 0.642 462 A CB 0.484 19.586 19.000 0.170 0.000 1.326 462 A HN 0.350 nan 8.150 nan 0.000 0.435 463 V N 1.999 121.733 119.914 -0.301 0.000 2.843 463 V HA 0.319 4.438 4.120 -0.003 0.000 0.305 463 V C 0.763 176.526 176.094 -0.551 0.000 1.065 463 V CA 1.442 63.230 62.300 -0.854 0.000 1.116 463 V CB 0.617 31.913 31.823 -0.877 0.000 0.968 463 V HN 1.045 nan 8.190 nan 0.000 0.487 464 D N 0.913 120.913 120.400 -0.667 0.000 3.046 464 D HA -0.161 4.477 4.640 -0.003 0.000 0.210 464 D C 0.534 176.628 176.300 -0.344 0.000 1.124 464 D CA 1.126 54.929 54.000 -0.328 0.000 0.986 464 D CB -0.533 40.122 40.800 -0.241 0.000 1.118 464 D HN 0.711 nan 8.370 nan 0.000 0.416 465 R N 0.082 120.436 120.500 -0.243 0.000 2.500 465 R HA 0.433 4.772 4.340 -0.003 0.000 0.277 465 R C 1.610 177.934 176.300 0.040 0.000 1.026 465 R CA -0.237 55.727 56.100 -0.228 0.000 1.058 465 R CB 0.770 30.954 30.300 -0.194 0.000 1.078 465 R HN -0.096 nan 8.270 nan 0.000 0.509 466 T N 1.647 116.268 114.554 0.111 0.000 2.502 466 T HA -0.269 4.079 4.350 -0.003 0.000 0.258 466 T C 1.844 176.648 174.700 0.172 0.000 1.146 466 T CA 2.081 64.297 62.100 0.194 0.000 1.208 466 T CB -0.301 68.660 68.868 0.155 0.000 0.864 466 T HN 0.763 nan 8.240 nan 0.000 0.402 467 A N 1.052 124.012 122.820 0.233 0.000 1.933 467 A HA 0.136 4.455 4.320 -0.003 0.000 0.218 467 A C 2.549 180.284 177.584 0.252 0.000 1.175 467 A CA 1.866 54.054 52.037 0.253 0.000 0.628 467 A CB -1.216 18.032 19.000 0.413 0.000 0.814 467 A HN 0.570 nan 8.150 nan 0.000 0.444 468 G N -3.180 105.766 108.800 0.244 0.000 2.572 468 G HA2 0.023 3.982 3.960 -0.003 0.000 0.216 468 G HA3 0.023 3.982 3.960 -0.003 0.000 0.216 468 G C 1.144 176.290 174.900 0.410 0.000 1.133 468 G CA 0.898 46.187 45.100 0.316 0.000 0.791 468 G HN 0.623 nan 8.290 nan 0.000 0.538 469 W N -0.476 120.831 121.300 0.012 0.000 5.240 469 W HA 0.050 4.708 4.660 -0.003 0.000 0.175 469 W C 1.370 177.811 176.519 -0.131 0.000 1.922 469 W CA 0.170 57.455 57.345 -0.101 0.000 2.107 469 W CB -0.446 28.912 29.460 -0.170 0.000 0.882 469 W HN 0.035 nan 8.180 nan 0.000 1.029 470 N N 1.847 120.645 118.700 0.164 0.000 2.060 470 N HA -0.219 4.519 4.740 -0.003 0.000 0.195 470 N C 1.625 177.137 175.510 0.003 0.000 1.028 470 N CA 2.649 55.736 53.050 0.061 0.000 0.861 470 N CB -0.811 37.770 38.487 0.156 0.000 1.029 470 N HN 0.281 nan 8.380 nan 0.000 0.428 471 I N 0.758 121.354 120.570 0.045 0.000 2.193 471 I HA -0.123 4.045 4.170 -0.003 0.000 0.240 471 I C -0.733 175.369 176.117 -0.025 0.000 1.084 471 I CA 0.788 62.106 61.300 0.031 0.000 1.365 471 I CB -1.084 36.937 38.000 0.034 0.000 1.064 471 I HN 0.086 nan 8.210 nan 0.000 0.410 472 P HA -0.159 nan 4.420 nan 0.000 0.213 472 P C 1.807 179.049 177.300 -0.097 0.000 1.170 472 P CA 1.487 64.476 63.100 -0.186 0.000 0.898 472 P CB -0.069 31.116 31.700 -0.859 0.000 0.787 473 M N -0.998 118.395 119.600 -0.346 0.000 2.159 473 M HA -0.036 4.442 4.480 -0.003 0.000 0.263 473 M C 2.293 178.566 176.300 -0.045 0.000 1.063 473 M CA 2.027 57.114 55.300 -0.355 0.000 1.110 473 M CB -2.409 29.498 32.600 -1.154 0.000 1.374 473 M HN 0.015 nan 8.290 nan 0.000 0.411 474 G N 0.266 109.026 108.800 -0.067 0.000 2.422 474 G HA2 -0.150 3.808 3.960 -0.003 0.000 0.218 474 G HA3 -0.150 3.808 3.960 -0.003 0.000 0.218 474 G C 1.749 176.772 174.900 0.206 0.000 1.146 474 G CA 0.514 45.669 45.100 0.090 0.000 0.769 474 G HN 0.407 nan 8.290 nan 0.000 0.547 475 L N -0.184 121.150 121.223 0.185 0.000 2.056 475 L HA 0.019 4.357 4.340 -0.003 0.000 0.207 475 L C 2.925 179.946 176.870 0.253 0.000 1.078 475 L CA 0.539 55.524 54.840 0.241 0.000 0.749 475 L CB -0.375 41.882 42.059 0.330 0.000 0.901 475 L HN 0.186 nan 8.230 nan 0.000 0.433 476 L N -1.302 120.072 121.223 0.251 0.000 2.017 476 L HA -0.250 4.088 4.340 -0.003 0.000 0.208 476 L C 2.589 179.534 176.870 0.125 0.000 1.073 476 L CA 1.298 56.203 54.840 0.108 0.000 0.745 476 L CB -0.621 41.488 42.059 0.084 0.000 0.894 476 L HN 0.176 nan 8.230 nan 0.000 0.432 477 F N 1.494 121.584 119.950 0.232 0.000 2.161 477 F HA -0.268 4.258 4.527 -0.003 0.000 0.300 477 F C 2.230 178.098 175.800 0.114 0.000 1.089 477 F CA 1.874 60.025 58.000 0.251 0.000 1.282 477 F CB -0.353 38.841 39.000 0.324 0.000 1.010 477 F HN 0.100 nan 8.300 nan 0.000 0.485 478 N N -0.284 118.477 118.700 0.102 0.000 2.364 478 N HA -0.149 4.590 4.740 -0.003 0.000 0.183 478 N C 1.629 177.077 175.510 -0.103 0.000 1.022 478 N CA 1.171 54.215 53.050 -0.010 0.000 0.883 478 N CB -0.027 38.517 38.487 0.095 0.000 0.965 478 N HN 0.533 nan 8.380 nan 0.000 0.438 479 Q N -1.009 118.734 119.800 -0.095 0.000 1.940 479 Q HA -0.039 4.300 4.340 -0.003 0.000 0.200 479 Q C 2.193 178.080 176.000 -0.189 0.000 0.977 479 Q CA 1.752 57.485 55.803 -0.116 0.000 0.841 479 Q CB -0.476 28.200 28.738 -0.103 0.000 0.901 479 Q HN 0.510 nan 8.270 nan 0.000 0.446 480 T N -2.150 112.265 114.554 -0.231 0.000 2.580 480 T HA -0.118 4.231 4.350 -0.003 0.000 0.265 480 T C 1.511 176.050 174.700 -0.268 0.000 1.063 480 T CA 1.667 63.624 62.100 -0.237 0.000 1.170 480 T CB -0.689 68.017 68.868 -0.270 0.000 0.863 480 T HN 0.658 nan 8.240 nan 0.000 0.418 481 G N 0.198 108.743 108.800 -0.424 0.000 2.184 481 G HA2 -0.155 3.804 3.960 -0.003 0.000 0.206 481 G HA3 -0.155 3.804 3.960 -0.003 0.000 0.206 481 G C 0.210 174.947 174.900 -0.272 0.000 0.995 481 G CA 0.489 45.257 45.100 -0.553 0.000 0.651 481 G HN 1.031 nan 8.290 nan 0.000 0.511 482 S N -0.990 114.661 115.700 -0.082 0.000 2.565 482 S HA 0.440 4.908 4.470 -0.003 0.000 0.274 482 S C 1.395 176.150 174.600 0.257 0.000 1.309 482 S CA 0.304 58.558 58.200 0.091 0.000 1.043 482 S CB 0.940 64.195 63.200 0.091 0.000 0.939 482 S HN 0.599 nan 8.310 nan 0.000 0.504 483 c N 3.713 122.338 118.600 0.043 0.000 2.791 483 c HA 0.360 4.929 4.570 -0.003 0.000 0.270 483 c C 1.163 174.896 174.090 -0.594 0.000 1.257 483 c CA -0.299 55.826 56.329 -0.340 0.000 1.699 483 c CB -1.455 40.940 42.510 -0.192 0.000 1.904 483 c HN 0.855 nan 8.230 nan 0.000 0.603 484 K N 1.137 121.409 120.400 -0.214 0.000 2.278 484 K HA 0.158 4.477 4.320 -0.003 0.000 0.237 484 K C 0.463 177.020 176.600 -0.072 0.000 1.229 484 K CA -0.156 56.063 56.287 -0.114 0.000 1.155 484 K CB -0.557 31.956 32.500 0.021 0.000 1.590 484 K HN 0.255 nan 8.250 nan 0.000 0.290 485 F N 0.698 120.577 119.950 -0.118 0.000 2.333 485 F HA -0.165 4.360 4.527 -0.003 0.000 0.300 485 F C 1.629 177.338 175.800 -0.153 0.000 1.083 485 F CA 0.922 58.652 58.000 -0.449 0.000 1.395 485 F CB -0.316 38.520 39.000 -0.273 0.000 1.056 485 F HN 0.539 nan 8.300 nan 0.000 0.529 486 D N -0.445 120.063 120.400 0.180 0.000 2.324 486 D HA -0.081 4.558 4.640 -0.003 0.000 0.235 486 D C 1.089 177.504 176.300 0.191 0.000 1.095 486 D CA 0.442 54.561 54.000 0.198 0.000 0.871 486 D CB -0.569 40.329 40.800 0.163 0.000 0.906 486 D HN 0.378 nan 8.370 nan 0.000 0.522 487 E N -1.367 118.960 120.200 0.212 0.000 2.562 487 E HA 0.035 4.383 4.350 -0.003 0.000 0.214 487 E C 0.596 177.311 176.600 0.191 0.000 0.979 487 E CA -0.243 56.267 56.400 0.182 0.000 1.002 487 E CB 0.244 30.026 29.700 0.137 0.000 1.048 487 E HN 0.106 nan 8.360 nan 0.000 0.488 488 Y N -0.339 119.915 120.300 -0.078 0.000 2.293 488 Y HA -0.047 4.501 4.550 -0.003 0.000 0.291 488 Y C 0.561 176.063 175.900 -0.664 0.000 1.137 488 Y CA 0.818 58.681 58.100 -0.394 0.000 1.202 488 Y CB 0.062 38.241 38.460 -0.469 0.000 0.990 488 Y HN -0.100 nan 8.280 nan 0.000 0.537 489 F N -1.855 118.239 119.950 0.241 0.000 2.588 489 F HA 0.272 4.797 4.527 -0.003 0.000 0.314 489 F C 1.292 177.176 175.800 0.139 0.000 1.069 489 F CA -0.781 57.321 58.000 0.171 0.000 0.931 489 F CB 1.215 40.343 39.000 0.213 0.000 1.260 489 F HN -0.306 nan 8.300 nan 0.000 0.465 490 S N 0.529 116.403 115.700 0.290 0.000 2.368 490 S HA -0.012 4.456 4.470 -0.003 0.000 0.225 490 S C 0.196 174.909 174.600 0.188 0.000 1.030 490 S CA 0.912 59.223 58.200 0.186 0.000 0.999 490 S CB -0.203 63.080 63.200 0.137 0.000 0.844 490 S HN 0.718 nan 8.310 nan 0.000 0.459 491 Q N -0.651 119.274 119.800 0.210 0.000 2.435 491 Q HA 0.708 5.047 4.340 -0.003 0.000 0.282 491 Q C -1.641 174.468 176.000 0.182 0.000 1.020 491 Q CA -0.640 55.267 55.803 0.175 0.000 0.820 491 Q CB 2.572 31.384 28.738 0.123 0.000 1.436 491 Q HN 0.368 nan 8.270 nan 0.000 0.395 492 S N -0.133 115.676 115.700 0.182 0.000 2.643 492 S HA 0.569 5.038 4.470 -0.003 0.000 0.270 492 S C -1.677 173.039 174.600 0.194 0.000 1.166 492 S CA -0.686 57.630 58.200 0.194 0.000 0.815 492 S CB 1.665 65.049 63.200 0.307 0.000 1.139 492 S HN 0.715 nan 8.310 nan 0.000 0.472 493 c N 1.969 120.704 118.600 0.224 0.000 2.356 493 c HA 0.835 5.404 4.570 -0.003 0.000 0.324 493 c C -0.303 173.959 174.090 0.287 0.000 1.167 493 c CA -0.090 56.372 56.329 0.222 0.000 1.420 493 c CB -0.957 41.693 42.510 0.234 0.000 2.036 493 c HN 0.961 nan 8.230 nan 0.000 0.435 494 A N 7.736 130.689 122.820 0.223 0.000 2.893 494 A HA 0.647 4.965 4.320 -0.003 0.000 0.333 494 A C -2.818 174.807 177.584 0.069 0.000 1.152 494 A CA -1.078 51.060 52.037 0.168 0.000 0.782 494 A CB 0.256 19.307 19.000 0.085 0.000 1.108 494 A HN 0.678 nan 8.150 nan 0.000 0.469 495 P HA 0.218 nan 4.420 nan 0.000 0.263 495 P C 1.222 178.538 177.300 0.027 0.000 1.175 495 P CA 2.363 65.532 63.100 0.115 0.000 0.761 495 P CB 0.705 32.573 31.700 0.281 0.000 0.794 496 G N 1.282 110.076 108.800 -0.011 0.000 2.176 496 G HA2 -0.188 3.771 3.960 -0.003 0.000 0.232 496 G HA3 -0.188 3.771 3.960 -0.003 0.000 0.232 496 G C 0.396 175.237 174.900 -0.098 0.000 0.986 496 G CA -0.469 44.596 45.100 -0.059 0.000 0.643 496 G HN 0.468 nan 8.290 nan 0.000 0.522 497 R N 0.673 121.121 120.500 -0.087 0.000 2.541 497 R HA 0.414 4.753 4.340 -0.003 0.000 0.263 497 R C -0.176 176.107 176.300 -0.028 0.000 1.112 497 R CA -0.484 55.570 56.100 -0.076 0.000 1.170 497 R CB 0.116 30.389 30.300 -0.045 0.000 1.167 497 R HN 0.292 nan 8.270 nan 0.000 0.582 498 D N 1.238 121.632 120.400 -0.010 0.000 2.382 498 D HA 0.053 4.691 4.640 -0.003 0.000 0.259 498 D C -1.628 174.680 176.300 0.015 0.000 1.224 498 D CA -1.609 52.393 54.000 0.003 0.000 0.894 498 D CB 0.932 41.739 40.800 0.013 0.000 1.127 498 D HN 0.046 nan 8.370 nan 0.000 0.487 499 P HA -0.200 nan 4.420 nan 0.000 0.216 499 P C 0.895 178.209 177.300 0.024 0.000 1.154 499 P CA 1.494 64.603 63.100 0.015 0.000 0.865 499 P CB -0.066 31.637 31.700 0.005 0.000 0.789 500 R N -0.885 119.628 120.500 0.022 0.000 2.328 500 R HA 0.146 4.485 4.340 -0.003 0.000 0.200 500 R C 0.784 177.107 176.300 0.038 0.000 0.983 500 R CA 0.215 56.331 56.100 0.027 0.000 1.062 500 R CB -0.515 29.797 30.300 0.021 0.000 0.956 500 R HN 0.061 nan 8.270 nan 0.000 0.479 501 S N 0.087 115.815 115.700 0.046 0.000 2.672 501 S HA 0.159 4.627 4.470 -0.003 0.000 0.276 501 S C 0.426 175.074 174.600 0.080 0.000 1.207 501 S CA -0.740 57.498 58.200 0.063 0.000 1.002 501 S CB 1.308 64.549 63.200 0.067 0.000 0.998 501 S HN 0.443 nan 8.310 nan 0.000 0.542 502 N N 1.150 119.909 118.700 0.099 0.000 2.381 502 N HA 0.060 4.798 4.740 -0.003 0.000 0.182 502 N C 1.205 176.802 175.510 0.145 0.000 1.025 502 N CA 0.617 53.738 53.050 0.118 0.000 0.888 502 N CB -0.275 38.291 38.487 0.131 0.000 0.965 502 N HN 0.503 nan 8.380 nan 0.000 0.438 503 L N -0.464 120.850 121.223 0.152 0.000 2.633 503 L HA -0.059 4.280 4.340 -0.003 0.000 0.235 503 L C 0.832 177.787 176.870 0.140 0.000 1.163 503 L CA 0.307 55.251 54.840 0.173 0.000 0.859 503 L CB -0.057 42.105 42.059 0.172 0.000 0.973 503 L HN 0.393 nan 8.230 nan 0.000 0.451 504 c N -1.900 116.767 118.600 0.112 0.000 3.559 504 c HA 0.309 4.877 4.570 -0.003 0.000 0.314 504 c C 2.719 176.865 174.090 0.094 0.000 1.419 504 c CA -0.090 56.295 56.329 0.094 0.000 1.775 504 c CB -0.072 42.476 42.510 0.062 0.000 2.430 504 c HN 0.563 nan 8.230 nan 0.000 0.686 505 A N 1.444 124.323 122.820 0.098 0.000 1.927 505 A HA -0.177 4.141 4.320 -0.003 0.000 0.220 505 A C 1.825 179.464 177.584 0.092 0.000 1.185 505 A CA 1.796 53.886 52.037 0.087 0.000 0.639 505 A CB -0.537 18.518 19.000 0.091 0.000 0.820 505 A HN 0.634 nan 8.150 nan 0.000 0.451 506 L N -0.767 120.528 121.223 0.120 0.000 2.509 506 L HA 0.039 4.377 4.340 -0.003 0.000 0.222 506 L C 0.686 177.682 176.870 0.209 0.000 1.123 506 L CA -0.667 54.263 54.840 0.150 0.000 0.856 506 L CB -0.639 41.504 42.059 0.141 0.000 0.985 506 L HN 0.280 nan 8.230 nan 0.000 0.456 507 c N 1.687 120.387 118.600 0.167 0.000 2.703 507 c HA 0.034 4.603 4.570 -0.003 0.000 0.411 507 c C 1.801 175.870 174.090 -0.036 0.000 1.290 507 c CA -0.455 55.951 56.329 0.129 0.000 2.054 507 c CB 0.452 43.019 42.510 0.096 0.000 2.732 507 c HN 0.437 nan 8.230 nan 0.000 0.650 508 I N 0.243 120.670 120.570 -0.238 0.000 4.225 508 I HA 0.337 4.506 4.170 -0.003 0.000 0.327 508 I C 0.862 176.860 176.117 -0.197 0.000 1.422 508 I CA 0.659 61.801 61.300 -0.263 0.000 1.150 508 I CB -1.559 36.173 38.000 -0.446 0.000 1.192 508 I HN 0.975 nan 8.210 nan 0.000 0.440 509 G N 3.222 111.935 108.800 -0.145 0.000 2.622 509 G HA2 -0.331 3.627 3.960 -0.003 0.000 0.272 509 G HA3 -0.331 3.627 3.960 -0.003 0.000 0.272 509 G C -0.338 174.499 174.900 -0.106 0.000 1.308 509 G CA 0.575 45.618 45.100 -0.095 0.000 0.919 509 G HN 0.861 nan 8.290 nan 0.000 0.565 510 D N -0.474 119.885 120.400 -0.069 0.000 2.380 510 D HA 0.345 4.983 4.640 -0.003 0.000 0.254 510 D C 1.555 177.824 176.300 -0.053 0.000 1.288 510 D CA 0.401 54.369 54.000 -0.053 0.000 1.008 510 D CB 0.032 40.813 40.800 -0.032 0.000 1.099 510 D HN 0.716 nan 8.370 nan 0.000 0.537 511 E N -1.031 119.150 120.200 -0.031 0.000 2.130 511 E HA -0.238 4.110 4.350 -0.003 0.000 0.196 511 E C 1.816 178.403 176.600 -0.021 0.000 0.998 511 E CA 1.037 57.425 56.400 -0.021 0.000 0.806 511 E CB -0.185 29.515 29.700 -0.001 0.000 0.738 511 E HN 0.384 nan 8.360 nan 0.000 0.459 512 Q N -0.468 119.321 119.800 -0.020 0.000 2.297 512 Q HA -0.004 4.334 4.340 -0.003 0.000 0.204 512 Q C 1.454 177.439 176.000 -0.024 0.000 0.962 512 Q CA 1.147 56.939 55.803 -0.017 0.000 0.879 512 Q CB 0.255 28.985 28.738 -0.015 0.000 0.947 512 Q HN 0.475 nan 8.270 nan 0.000 0.462 513 G N 0.807 109.586 108.800 -0.036 0.000 2.140 513 G HA2 -0.213 3.746 3.960 -0.003 0.000 0.211 513 G HA3 -0.213 3.746 3.960 -0.003 0.000 0.211 513 G C -0.319 174.559 174.900 -0.037 0.000 1.013 513 G CA 0.119 45.194 45.100 -0.042 0.000 0.705 513 G HN 0.328 nan 8.290 nan 0.000 0.508 514 E N -0.514 119.664 120.200 -0.036 0.000 2.316 514 E HA 0.616 4.965 4.350 -0.003 0.000 0.258 514 E C 0.675 177.253 176.600 -0.038 0.000 0.952 514 E CA -0.970 55.411 56.400 -0.032 0.000 0.818 514 E CB 0.660 30.345 29.700 -0.026 0.000 1.260 514 E HN 0.088 nan 8.360 nan 0.000 0.416 515 N N 1.000 119.679 118.700 -0.035 0.000 2.776 515 N HA -0.163 4.575 4.740 -0.003 0.000 0.249 515 N C -1.100 174.387 175.510 -0.038 0.000 1.111 515 N CA 0.798 53.825 53.050 -0.040 0.000 0.711 515 N CB -1.033 37.426 38.487 -0.047 0.000 1.065 515 N HN 0.423 nan 8.380 nan 0.000 0.556 516 K N -0.377 120.005 120.400 -0.031 0.000 2.489 516 K HA 0.079 4.397 4.320 -0.003 0.000 0.278 516 K C 1.127 177.723 176.600 -0.008 0.000 1.000 516 K CA 0.691 56.965 56.287 -0.022 0.000 1.012 516 K CB 0.358 32.849 32.500 -0.015 0.000 0.903 516 K HN 0.422 nan 8.250 nan 0.000 0.485 517 c N 2.052 120.659 118.600 0.013 0.000 4.473 517 c HA -0.165 4.404 4.570 -0.003 0.000 0.272 517 c C 0.652 174.744 174.090 0.003 0.000 1.434 517 c CA 0.417 56.763 56.329 0.029 0.000 1.761 517 c CB -2.078 40.447 42.510 0.025 0.000 1.564 517 c HN 0.678 nan 8.230 nan 0.000 0.725 518 V N 1.977 121.874 119.914 -0.029 0.000 2.715 518 V HA 0.336 4.454 4.120 -0.003 0.000 0.299 518 V C -1.515 174.504 176.094 -0.126 0.000 1.054 518 V CA -0.425 61.830 62.300 -0.074 0.000 1.077 518 V CB 1.282 33.050 31.823 -0.093 0.000 0.972 518 V HN 0.254 nan 8.190 nan 0.000 0.484 519 P HA 0.204 nan 4.420 nan 0.000 0.237 519 P C -1.169 175.700 177.300 -0.719 0.000 1.723 519 P CA 0.068 63.029 63.100 -0.232 0.000 0.882 519 P CB -0.566 31.100 31.700 -0.056 0.000 1.810 520 N N -2.887 115.245 118.700 -0.947 0.000 2.853 520 N HA 0.172 4.911 4.740 -0.003 0.000 0.258 520 N C 0.648 175.712 175.510 -0.744 0.000 1.444 520 N CA -0.843 51.645 53.050 -0.936 0.000 0.837 520 N CB 0.049 38.313 38.487 -0.371 0.000 1.489 520 N HN -0.235 nan 8.380 nan 0.000 0.529 521 S N -0.939 114.606 115.700 -0.259 0.000 2.528 521 S HA -0.150 4.318 4.470 -0.003 0.000 0.244 521 S C 0.725 175.337 174.600 0.020 0.000 0.982 521 S CA 0.598 58.830 58.200 0.053 0.000 0.953 521 S CB -0.798 62.482 63.200 0.134 0.000 0.754 521 S HN 0.547 nan 8.310 nan 0.000 0.529 522 N N 1.732 120.400 118.700 -0.053 0.000 2.331 522 N HA -0.024 4.714 4.740 -0.003 0.000 0.180 522 N C 0.587 176.081 175.510 -0.025 0.000 1.019 522 N CA 0.922 53.953 53.050 -0.031 0.000 0.881 522 N CB -0.394 38.064 38.487 -0.049 0.000 0.972 522 N HN 0.679 nan 8.380 nan 0.000 0.435 523 E N 1.442 121.626 120.200 -0.027 0.000 2.166 523 E HA 0.087 4.436 4.350 -0.003 0.000 0.279 523 E C 0.667 177.299 176.600 0.054 0.000 1.095 523 E CA -0.015 56.386 56.400 0.002 0.000 0.888 523 E CB 0.436 30.159 29.700 0.039 0.000 1.041 523 E HN 0.026 nan 8.360 nan 0.000 0.414 524 R N 3.298 123.775 120.500 -0.039 0.000 2.159 524 R HA -0.139 4.199 4.340 -0.003 0.000 0.237 524 R C 0.444 176.808 176.300 0.107 0.000 1.131 524 R CA 1.073 57.154 56.100 -0.032 0.000 0.982 524 R CB -0.111 30.084 30.300 -0.175 0.000 0.868 524 R HN 0.571 nan 8.270 nan 0.000 0.453 525 Y N -1.004 119.293 120.300 -0.006 0.000 2.537 525 Y HA 0.081 4.629 4.550 -0.002 0.000 0.303 525 Y C -0.181 175.754 175.900 0.058 0.000 1.176 525 Y CA -1.331 56.756 58.100 -0.021 0.000 1.273 525 Y CB -0.921 37.523 38.460 -0.027 0.000 1.110 525 Y HN -0.002 nan 8.280 nan 0.000 0.518 526 Y N 0.608 120.985 120.300 0.128 0.000 2.299 526 Y HA 0.540 5.088 4.550 -0.002 0.000 0.326 526 Y C 0.870 176.816 175.900 0.077 0.000 1.164 526 Y CA 0.327 58.480 58.100 0.089 0.000 1.234 526 Y CB 0.618 39.116 38.460 0.063 0.000 1.219 526 Y HN 0.372 nan 8.280 nan 0.000 0.497 527 G N 3.697 111.995 108.800 -0.838 0.000 2.693 527 G HA2 -0.350 3.609 3.960 -0.003 0.000 0.226 527 G HA3 -0.350 3.609 3.960 -0.003 0.000 0.226 527 G C -0.128 174.617 174.900 -0.258 0.000 1.354 527 G CA 0.168 44.849 45.100 -0.697 0.000 0.873 527 G HN 0.712 nan 8.290 nan 0.000 0.562 528 Y N 0.204 120.446 120.300 -0.097 0.000 2.070 528 Y HA -0.080 4.469 4.550 -0.002 0.000 0.280 528 Y C 3.542 179.443 175.900 0.001 0.000 1.148 528 Y CA 2.646 60.720 58.100 -0.043 0.000 1.125 528 Y CB -1.117 37.300 38.460 -0.070 0.000 0.975 528 Y HN 0.583 nan 8.280 nan 0.000 0.492 529 T N -0.617 114.058 114.554 0.203 0.000 2.746 529 T HA -0.132 4.216 4.350 -0.003 0.000 0.267 529 T C 2.196 176.974 174.700 0.130 0.000 1.039 529 T CA 1.412 63.641 62.100 0.214 0.000 1.142 529 T CB -0.897 68.114 68.868 0.238 0.000 0.866 529 T HN 0.585 nan 8.240 nan 0.000 0.444 530 G N 0.809 109.648 108.800 0.066 0.000 2.408 530 G HA2 -0.004 3.955 3.960 -0.003 0.000 0.217 530 G HA3 -0.004 3.955 3.960 -0.003 0.000 0.217 530 G C 1.776 176.629 174.900 -0.078 0.000 1.150 530 G CA 0.826 45.941 45.100 0.025 0.000 0.776 530 G HN 0.564 nan 8.290 nan 0.000 0.542 531 A N 0.145 122.938 122.820 -0.045 0.000 1.969 531 A HA 0.158 4.477 4.320 -0.003 0.000 0.218 531 A C 2.098 179.599 177.584 -0.138 0.000 1.169 531 A CA 1.291 53.268 52.037 -0.101 0.000 0.635 531 A CB -0.443 18.549 19.000 -0.014 0.000 0.810 531 A HN 0.349 nan 8.150 nan 0.000 0.445 532 F N 0.758 120.596 119.950 -0.187 0.000 2.113 532 F HA -0.097 4.429 4.527 -0.002 0.000 0.297 532 F C 2.301 177.937 175.800 -0.275 0.000 1.103 532 F CA 1.759 59.642 58.000 -0.195 0.000 1.248 532 F CB -0.347 38.599 39.000 -0.090 0.000 0.999 532 F HN 0.236 nan 8.300 nan 0.000 0.475 533 R N -0.279 119.947 120.500 -0.457 0.000 2.105 533 R HA -0.236 4.103 4.340 -0.003 0.000 0.239 533 R C 2.590 178.443 176.300 -0.746 0.000 1.135 533 R CA 1.751 57.345 56.100 -0.843 0.000 0.967 533 R CB -1.277 28.333 30.300 -1.150 0.000 0.861 533 R HN 0.546 nan 8.270 nan 0.000 0.442 534 c N 0.470 118.490 118.600 -0.967 0.000 2.403 534 c HA -0.105 4.463 4.570 -0.003 0.000 0.277 534 c C 2.466 176.200 174.090 -0.593 0.000 1.248 534 c CA 0.935 56.534 56.329 -1.216 0.000 1.762 534 c CB -1.065 40.803 42.510 -1.070 0.000 2.014 534 c HN 0.673 nan 8.230 nan 0.000 0.486 535 L N 1.752 122.682 121.223 -0.488 0.000 2.049 535 L HA 0.242 4.580 4.340 -0.003 0.000 0.203 535 L C 2.700 179.418 176.870 -0.255 0.000 1.074 535 L CA 2.331 56.968 54.840 -0.338 0.000 0.749 535 L CB -0.965 40.888 42.059 -0.343 0.000 0.907 535 L HN 0.282 nan 8.230 nan 0.000 0.439 536 A N -0.997 121.594 122.820 -0.382 0.000 2.019 536 A HA -0.186 4.132 4.320 -0.003 0.000 0.219 536 A C 1.988 179.563 177.584 -0.015 0.000 1.164 536 A CA 1.717 53.674 52.037 -0.134 0.000 0.644 536 A CB -0.573 18.326 19.000 -0.168 0.000 0.805 536 A HN 0.634 nan 8.150 nan 0.000 0.449 537 E N -0.326 119.826 120.200 -0.080 0.000 2.437 537 E HA 0.037 4.386 4.350 -0.003 0.000 0.189 537 E C -0.352 176.243 176.600 -0.008 0.000 1.054 537 E CA -0.167 56.234 56.400 0.003 0.000 0.874 537 E CB 0.026 29.751 29.700 0.042 0.000 1.011 537 E HN 0.551 nan 8.360 nan 0.000 0.474 538 N N -0.727 117.947 118.700 -0.045 0.000 2.782 538 N HA -0.257 4.481 4.740 -0.003 0.000 0.251 538 N C 0.720 176.213 175.510 -0.029 0.000 1.101 538 N CA 0.733 53.765 53.050 -0.030 0.000 0.764 538 N CB -1.228 37.258 38.487 -0.001 0.000 1.122 538 N HN 0.300 nan 8.380 nan 0.000 0.561 539 A N -0.050 122.736 122.820 -0.057 0.000 1.854 539 A HA 0.325 4.643 4.320 -0.003 0.000 0.214 539 A C 1.369 178.925 177.584 -0.046 0.000 1.192 539 A CA 1.822 53.846 52.037 -0.022 0.000 0.611 539 A CB -0.375 18.623 19.000 -0.005 0.000 0.832 539 A HN 0.439 nan 8.150 nan 0.000 0.442 540 G N -2.005 106.727 108.800 -0.114 0.000 2.601 540 G HA2 0.463 4.422 3.960 -0.003 0.000 0.317 540 G HA3 0.463 4.422 3.960 -0.003 0.000 0.317 540 G C -0.534 174.303 174.900 -0.106 0.000 1.246 540 G CA 0.057 45.090 45.100 -0.112 0.000 1.012 540 G HN 0.100 nan 8.290 nan 0.000 0.494 541 D N -1.451 118.887 120.400 -0.103 0.000 2.417 541 D HA 0.135 4.773 4.640 -0.003 0.000 0.207 541 D C 0.149 176.381 176.300 -0.113 0.000 1.075 541 D CA 0.404 54.360 54.000 -0.073 0.000 0.851 541 D CB 1.706 42.492 40.800 -0.025 0.000 0.976 541 D HN 0.159 nan 8.370 nan 0.000 0.505 542 V N 0.216 119.996 119.914 -0.223 0.000 2.932 542 V HA 0.699 4.817 4.120 -0.003 0.000 0.307 542 V C -1.843 173.926 176.094 -0.542 0.000 1.147 542 V CA -0.754 61.338 62.300 -0.347 0.000 0.951 542 V CB 2.028 33.614 31.823 -0.395 0.000 1.031 542 V HN 0.051 nan 8.190 nan 0.000 0.426 543 A N 5.632 128.146 122.820 -0.510 0.000 2.343 543 A HA 0.886 5.205 4.320 -0.003 0.000 0.316 543 A C -1.333 175.960 177.584 -0.484 0.000 1.104 543 A CA -0.382 51.388 52.037 -0.445 0.000 0.768 543 A CB 1.068 19.950 19.000 -0.196 0.000 1.213 543 A HN 0.778 nan 8.150 nan 0.000 0.456 544 F N 2.936 122.830 119.950 -0.094 0.000 2.303 544 F HA 0.477 5.002 4.527 -0.003 0.000 0.368 544 F C 0.694 176.541 175.800 0.077 0.000 1.105 544 F CA -0.187 57.814 58.000 0.002 0.000 1.153 544 F CB 1.144 40.140 39.000 -0.007 0.000 1.362 544 F HN 0.544 nan 8.300 nan 0.000 0.511 545 V N -0.125 119.928 119.914 0.232 0.000 3.329 545 V HA 0.674 4.793 4.120 -0.003 0.000 0.308 545 V C -0.845 175.373 176.094 0.207 0.000 1.375 545 V CA -1.364 61.095 62.300 0.264 0.000 1.015 545 V CB 1.879 33.813 31.823 0.184 0.000 1.155 545 V HN 0.411 nan 8.190 nan 0.000 0.479 546 K N -0.038 120.411 120.400 0.082 0.000 2.238 546 K HA 0.481 4.800 4.320 -0.003 0.000 0.239 546 K C 0.431 176.955 176.600 -0.125 0.000 0.987 546 K CA 0.088 56.361 56.287 -0.023 0.000 0.857 546 K CB 1.663 34.070 32.500 -0.156 0.000 1.154 546 K HN 0.725 nan 8.250 nan 0.000 0.439 547 D N 1.237 121.574 120.400 -0.105 0.000 2.123 547 D HA -0.200 4.439 4.640 -0.003 0.000 0.196 547 D C 1.694 177.876 176.300 -0.197 0.000 0.992 547 D CA 1.897 55.822 54.000 -0.125 0.000 0.833 547 D CB -0.758 39.992 40.800 -0.083 0.000 0.954 547 D HN 0.390 nan 8.370 nan 0.000 0.455 548 V N -1.192 118.577 119.914 -0.242 0.000 2.867 548 V HA -0.138 3.980 4.120 -0.003 0.000 0.260 548 V C 2.179 178.082 176.094 -0.318 0.000 1.099 548 V CA 1.784 63.922 62.300 -0.269 0.000 1.122 548 V CB -1.375 30.267 31.823 -0.303 0.000 0.708 548 V HN 0.093 nan 8.190 nan 0.000 0.490 549 T N 1.024 115.359 114.554 -0.364 0.000 2.746 549 T HA -0.124 4.224 4.350 -0.003 0.000 0.267 549 T C 1.975 176.334 174.700 -0.568 0.000 1.039 549 T CA 1.919 63.784 62.100 -0.391 0.000 1.142 549 T CB -0.316 68.363 68.868 -0.314 0.000 0.866 549 T HN 0.443 nan 8.240 nan 0.000 0.444 550 V N 1.297 120.825 119.914 -0.642 0.000 2.307 550 V HA -0.106 4.013 4.120 -0.003 0.000 0.245 550 V C 2.456 178.264 176.094 -0.476 0.000 1.045 550 V CA 1.202 62.984 62.300 -0.863 0.000 1.024 550 V CB -0.715 30.793 31.823 -0.525 0.000 0.651 550 V HN 0.283 nan 8.190 nan 0.000 0.449 551 L N -0.023 121.024 121.223 -0.294 0.000 1.989 551 L HA -0.229 4.110 4.340 -0.003 0.000 0.211 551 L C 2.536 179.300 176.870 -0.178 0.000 1.071 551 L CA 1.895 56.625 54.840 -0.183 0.000 0.749 551 L CB -1.198 40.772 42.059 -0.149 0.000 0.890 551 L HN 0.385 nan 8.230 nan 0.000 0.431 552 Q N -0.834 118.844 119.800 -0.205 0.000 2.508 552 Q HA -0.099 4.240 4.340 -0.003 0.000 0.214 552 Q C 0.715 176.632 176.000 -0.139 0.000 0.979 552 Q CA 0.737 56.446 55.803 -0.157 0.000 0.911 552 Q CB -0.076 28.568 28.738 -0.156 0.000 0.969 552 Q HN 0.519 nan 8.270 nan 0.000 0.504 553 N N 0.138 118.726 118.700 -0.187 0.000 2.197 553 N HA 0.050 4.788 4.740 -0.003 0.000 0.228 553 N C -0.415 175.066 175.510 -0.048 0.000 1.212 553 N CA 0.333 53.315 53.050 -0.114 0.000 0.883 553 N CB 1.297 39.773 38.487 -0.018 0.000 1.107 553 N HN 0.190 nan 8.380 nan 0.000 0.519 554 T N -2.988 111.537 114.554 -0.048 0.000 2.858 554 T HA 0.349 4.697 4.350 -0.003 0.000 0.285 554 T C -0.480 174.223 174.700 0.005 0.000 1.052 554 T CA -0.429 61.699 62.100 0.046 0.000 1.009 554 T CB 1.985 70.937 68.868 0.140 0.000 1.241 554 T HN -0.124 nan 8.240 nan 0.000 0.542 555 D N 0.085 120.503 120.400 0.029 0.000 2.689 555 D HA -0.137 4.501 4.640 -0.003 0.000 0.237 555 D C 1.305 177.593 176.300 -0.020 0.000 1.148 555 D CA 1.940 55.944 54.000 0.006 0.000 0.656 555 D CB -1.646 39.157 40.800 0.004 0.000 1.050 555 D HN 1.595 nan 8.370 nan 0.000 0.426 556 G N -0.010 108.771 108.800 -0.033 0.000 2.205 556 G HA2 -0.465 3.494 3.960 -0.003 0.000 0.269 556 G HA3 -0.465 3.494 3.960 -0.003 0.000 0.269 556 G C 1.122 175.985 174.900 -0.061 0.000 0.977 556 G CA 0.635 45.704 45.100 -0.051 0.000 0.652 556 G HN 0.474 nan 8.290 nan 0.000 0.539 557 N N 0.473 119.137 118.700 -0.061 0.000 2.443 557 N HA -0.058 4.680 4.740 -0.003 0.000 0.184 557 N C 0.594 176.057 175.510 -0.077 0.000 1.037 557 N CA 1.165 54.176 53.050 -0.065 0.000 0.896 557 N CB -0.086 38.360 38.487 -0.068 0.000 0.959 557 N HN 0.605 nan 8.380 nan 0.000 0.442 558 N N 0.745 119.380 118.700 -0.108 0.000 2.540 558 N HA 0.051 4.789 4.740 -0.003 0.000 0.275 558 N C -0.961 174.445 175.510 -0.172 0.000 1.053 558 N CA -0.432 52.535 53.050 -0.139 0.000 0.876 558 N CB 0.380 38.746 38.487 -0.201 0.000 1.284 558 N HN 0.037 nan 8.380 nan 0.000 0.518 559 N N 1.561 120.189 118.700 -0.120 0.000 2.389 559 N HA 0.075 4.813 4.740 -0.003 0.000 0.237 559 N C -0.224 175.213 175.510 -0.121 0.000 1.148 559 N CA -0.227 52.756 53.050 -0.111 0.000 0.854 559 N CB 0.364 38.812 38.487 -0.064 0.000 1.115 559 N HN 0.430 nan 8.380 nan 0.000 0.492 560 E N -0.371 119.710 120.200 -0.198 0.000 2.345 560 E HA 0.292 4.640 4.350 -0.003 0.000 0.259 560 E C 0.795 177.265 176.600 -0.216 0.000 1.117 560 E CA -0.172 56.123 56.400 -0.175 0.000 0.913 560 E CB 1.069 30.652 29.700 -0.195 0.000 1.057 560 E HN 0.370 nan 8.360 nan 0.000 0.432 561 A N 3.301 126.076 122.820 -0.074 0.000 1.841 561 A HA -0.188 4.130 4.320 -0.003 0.000 0.216 561 A C 1.897 179.474 177.584 -0.011 0.000 1.199 561 A CA 1.908 53.939 52.037 -0.010 0.000 0.621 561 A CB -1.129 17.918 19.000 0.078 0.000 0.835 561 A HN 0.939 nan 8.150 nan 0.000 0.445 562 W N -0.811 120.524 121.300 0.058 0.000 2.341 562 W HA 0.015 4.673 4.660 -0.003 0.000 0.283 562 W C 1.519 178.081 176.519 0.070 0.000 1.215 562 W CA 1.496 58.879 57.345 0.063 0.000 1.211 562 W CB -0.744 28.762 29.460 0.075 0.000 1.131 562 W HN 0.423 nan 8.180 nan 0.000 0.552 563 A N 1.497 123.830 122.820 -0.811 0.000 2.229 563 A HA 0.036 4.354 4.320 -0.003 0.000 0.211 563 A C 2.064 179.441 177.584 -0.345 0.000 1.193 563 A CA 0.624 52.185 52.037 -0.792 0.000 0.879 563 A CB -0.356 17.666 19.000 -1.630 0.000 0.911 563 A HN 0.306 nan 8.150 nan 0.000 0.492 564 K N 0.510 120.751 120.400 -0.264 0.000 2.107 564 K HA -0.228 4.090 4.320 -0.003 0.000 0.211 564 K C 0.444 177.002 176.600 -0.070 0.000 1.049 564 K CA 2.141 58.344 56.287 -0.139 0.000 0.927 564 K CB -0.389 32.056 32.500 -0.092 0.000 0.714 564 K HN 0.301 nan 8.250 nan 0.000 0.452 565 D N 0.537 120.916 120.400 -0.034 0.000 2.360 565 D HA 0.120 4.758 4.640 -0.003 0.000 0.210 565 D C 0.382 176.705 176.300 0.039 0.000 1.047 565 D CA -0.003 53.999 54.000 0.003 0.000 0.854 565 D CB 0.122 40.928 40.800 0.010 0.000 0.936 565 D HN 0.185 nan 8.370 nan 0.000 0.514 566 L N 1.539 122.808 121.223 0.076 0.000 2.525 566 L HA 0.023 4.361 4.340 -0.003 0.000 0.278 566 L C 0.701 177.677 176.870 0.177 0.000 1.218 566 L CA 0.448 55.403 54.840 0.191 0.000 0.878 566 L CB 0.300 42.562 42.059 0.338 0.000 1.127 566 L HN -0.354 nan 8.230 nan 0.000 0.492 567 K N 2.881 123.389 120.400 0.181 0.000 2.259 567 K HA 0.212 4.530 4.320 -0.003 0.000 0.252 567 K C 0.450 177.182 176.600 0.220 0.000 0.936 567 K CA -0.880 55.487 56.287 0.134 0.000 0.810 567 K CB 2.187 34.714 32.500 0.045 0.000 1.143 567 K HN 0.347 nan 8.250 nan 0.000 0.427 568 L N 2.547 123.881 121.223 0.184 0.000 2.189 568 L HA -0.199 4.139 4.340 -0.003 0.000 0.214 568 L C 1.627 178.604 176.870 0.178 0.000 1.097 568 L CA 2.075 57.040 54.840 0.209 0.000 0.764 568 L CB -0.326 41.790 42.059 0.096 0.000 0.900 568 L HN 0.827 nan 8.230 nan 0.000 0.436 569 A N -1.770 121.098 122.820 0.080 0.000 2.169 569 A HA -0.036 4.283 4.320 -0.003 0.000 0.212 569 A C 1.551 179.103 177.584 -0.054 0.000 1.153 569 A CA 0.888 52.938 52.037 0.022 0.000 0.756 569 A CB -0.407 18.594 19.000 0.002 0.000 0.813 569 A HN 0.460 nan 8.150 nan 0.000 0.471 570 D N -0.961 119.339 120.400 -0.168 0.000 2.336 570 D HA 0.184 4.823 4.640 -0.003 0.000 0.229 570 D C -0.611 175.241 176.300 -0.747 0.000 1.061 570 D CA 0.560 54.276 54.000 -0.473 0.000 0.875 570 D CB -0.013 40.387 40.800 -0.666 0.000 0.904 570 D HN 0.376 nan 8.370 nan 0.000 0.525 571 F N 0.107 120.094 119.950 0.062 0.000 2.588 571 F HA 0.666 5.191 4.527 -0.003 0.000 0.314 571 F C 0.154 175.985 175.800 0.051 0.000 1.069 571 F CA -1.296 56.749 58.000 0.075 0.000 0.931 571 F CB 1.744 40.835 39.000 0.152 0.000 1.260 571 F HN -0.260 nan 8.300 nan 0.000 0.465 572 A N 1.510 124.474 122.820 0.240 0.000 2.593 572 A HA 0.902 5.221 4.320 -0.003 0.000 0.290 572 A C -1.868 175.788 177.584 0.120 0.000 1.126 572 A CA -0.759 51.361 52.037 0.138 0.000 0.695 572 A CB 1.470 20.521 19.000 0.084 0.000 1.290 572 A HN 0.691 nan 8.150 nan 0.000 0.414 573 L N 0.170 121.441 121.223 0.081 0.000 2.334 573 L HA 0.579 4.917 4.340 -0.003 0.000 0.272 573 L C -1.144 175.762 176.870 0.060 0.000 1.020 573 L CA -0.999 53.878 54.840 0.063 0.000 0.812 573 L CB 1.321 43.406 42.059 0.043 0.000 1.264 573 L HN 0.471 nan 8.230 nan 0.000 0.439 574 L N 1.663 122.927 121.223 0.069 0.000 2.272 574 L HA 0.378 4.716 4.340 -0.003 0.000 0.289 574 L C -0.314 176.562 176.870 0.010 0.000 1.032 574 L CA -0.111 54.788 54.840 0.097 0.000 0.810 574 L CB 1.038 43.232 42.059 0.224 0.000 1.205 574 L HN 0.646 nan 8.230 nan 0.000 0.422 575 c N 3.271 121.865 118.600 -0.009 0.000 2.398 575 c HA 0.309 4.878 4.570 -0.003 0.000 0.364 575 c C 2.161 176.164 174.090 -0.145 0.000 1.219 575 c CA -0.994 55.277 56.329 -0.097 0.000 2.312 575 c CB 0.771 43.242 42.510 -0.066 0.000 2.428 575 c HN 0.792 nan 8.230 nan 0.000 0.564 576 L N 1.413 122.473 121.223 -0.271 0.000 2.353 576 L HA -0.123 4.215 4.340 -0.003 0.000 0.220 576 L C 1.753 178.584 176.870 -0.065 0.000 1.133 576 L CA 1.331 55.987 54.840 -0.306 0.000 0.798 576 L CB -0.458 41.406 42.059 -0.325 0.000 0.922 576 L HN 0.823 nan 8.230 nan 0.000 0.445 577 D N -1.207 119.170 120.400 -0.039 0.000 2.328 577 D HA 0.072 4.710 4.640 -0.003 0.000 0.226 577 D C 1.472 177.801 176.300 0.050 0.000 1.066 577 D CA 0.704 54.709 54.000 0.008 0.000 0.861 577 D CB 0.282 41.074 40.800 -0.013 0.000 0.912 577 D HN 0.192 nan 8.370 nan 0.000 0.521 578 G N -0.613 108.240 108.800 0.088 0.000 2.213 578 G HA2 -0.292 3.666 3.960 -0.003 0.000 0.236 578 G HA3 -0.292 3.666 3.960 -0.003 0.000 0.236 578 G C 0.406 175.355 174.900 0.081 0.000 0.991 578 G CA 0.151 45.319 45.100 0.113 0.000 0.629 578 G HN 0.396 nan 8.290 nan 0.000 0.517 579 K N 0.483 120.913 120.400 0.050 0.000 2.155 579 K HA 0.816 5.134 4.320 -0.003 0.000 0.237 579 K C 0.870 177.496 176.600 0.043 0.000 1.040 579 K CA -0.207 56.102 56.287 0.037 0.000 0.912 579 K CB 0.344 32.854 32.500 0.017 0.000 1.137 579 K HN 0.460 nan 8.250 nan 0.000 0.498 580 R N 0.618 121.140 120.500 0.036 0.000 2.621 580 R HA 0.491 4.830 4.340 -0.003 0.000 0.284 580 R C -0.694 175.624 176.300 0.029 0.000 0.998 580 R CA -0.954 55.170 56.100 0.040 0.000 0.895 580 R CB 1.964 32.293 30.300 0.048 0.000 1.195 580 R HN 0.423 nan 8.270 nan 0.000 0.450 581 K N 1.588 122.007 120.400 0.031 0.000 2.433 581 K HA 0.521 4.840 4.320 -0.003 0.000 0.252 581 K C -2.769 173.853 176.600 0.037 0.000 1.015 581 K CA -2.205 54.098 56.287 0.027 0.000 0.860 581 K CB 2.171 34.682 32.500 0.017 0.000 1.359 581 K HN 0.238 nan 8.250 nan 0.000 0.452 582 P HA 0.006 nan 4.420 nan 0.000 0.272 582 P C 0.764 178.088 177.300 0.042 0.000 1.230 582 P CA -0.357 62.769 63.100 0.043 0.000 0.788 582 P CB 0.572 32.291 31.700 0.031 0.000 0.949 583 V N 1.185 121.131 119.914 0.053 0.000 2.469 583 V HA -0.252 3.866 4.120 -0.003 0.000 0.251 583 V C 2.124 178.223 176.094 0.009 0.000 1.064 583 V CA 2.733 65.052 62.300 0.032 0.000 1.066 583 V CB -1.923 29.917 31.823 0.029 0.000 0.667 583 V HN 0.733 nan 8.190 nan 0.000 0.461 584 T N -1.933 112.627 114.554 0.011 0.000 3.051 584 T HA -0.110 4.238 4.350 -0.003 0.000 0.269 584 T C 1.094 175.796 174.700 0.004 0.000 1.127 584 T CA 1.041 63.142 62.100 0.000 0.000 1.107 584 T CB -0.278 68.591 68.868 0.001 0.000 0.898 584 T HN 0.628 nan 8.240 nan 0.000 0.517 585 E N 0.336 120.543 120.200 0.013 0.000 2.496 585 E HA 0.506 4.855 4.350 -0.003 0.000 0.202 585 E C 1.661 178.279 176.600 0.030 0.000 1.021 585 E CA -0.180 56.230 56.400 0.017 0.000 1.015 585 E CB 0.253 29.962 29.700 0.015 0.000 1.102 585 E HN 0.565 nan 8.360 nan 0.000 0.452 586 A N 1.128 123.966 122.820 0.031 0.000 2.070 586 A HA -0.175 4.144 4.320 -0.003 0.000 0.220 586 A C 1.976 179.646 177.584 0.142 0.000 1.159 586 A CA 0.902 52.975 52.037 0.061 0.000 0.656 586 A CB -0.162 18.852 19.000 0.023 0.000 0.800 586 A HN 0.156 nan 8.150 nan 0.000 0.453 587 R N 0.162 120.718 120.500 0.093 0.000 2.189 587 R HA -0.075 4.263 4.340 -0.003 0.000 0.223 587 R C 1.625 178.043 176.300 0.197 0.000 1.092 587 R CA 1.459 57.636 56.100 0.128 0.000 0.989 587 R CB -0.232 30.095 30.300 0.046 0.000 0.876 587 R HN 0.691 nan 8.270 nan 0.000 0.457 588 S N -1.877 113.882 115.700 0.099 0.000 2.578 588 S HA 0.084 4.552 4.470 -0.003 0.000 0.231 588 S C 0.523 175.088 174.600 -0.059 0.000 0.994 588 S CA -0.695 57.512 58.200 0.010 0.000 0.956 588 S CB 0.388 63.588 63.200 -0.000 0.000 0.870 588 S HN 0.261 nan 8.310 nan 0.000 0.494 589 c N 4.263 122.853 118.600 -0.017 0.000 3.482 589 c HA 0.529 5.098 4.570 -0.003 0.000 0.208 589 c C -0.596 173.480 174.090 -0.024 0.000 1.306 589 c CA -0.467 55.820 56.329 -0.069 0.000 1.254 589 c CB -1.051 41.447 42.510 -0.020 0.000 1.832 589 c HN 0.746 nan 8.230 nan 0.000 0.554 590 H N 0.987 120.009 119.070 -0.080 0.000 2.894 590 H HA 0.461 5.015 4.556 -0.003 0.000 0.368 590 H C -0.031 175.216 175.328 -0.135 0.000 1.181 590 H CA -0.876 55.120 56.048 -0.088 0.000 1.146 590 H CB 0.951 30.673 29.762 -0.068 0.000 1.839 590 H HN 0.297 nan 8.280 nan 0.000 0.557 591 L N 0.235 121.448 121.223 -0.017 0.000 2.209 591 L HA 0.342 4.681 4.340 -0.003 0.000 0.207 591 L C 0.948 177.802 176.870 -0.027 0.000 1.094 591 L CA 1.144 55.903 54.840 -0.135 0.000 0.790 591 L CB -0.036 41.941 42.059 -0.138 0.000 0.932 591 L HN 0.818 nan 8.230 nan 0.000 0.447 592 A N -0.913 121.977 122.820 0.117 0.000 2.490 592 A HA 0.536 4.854 4.320 -0.003 0.000 0.292 592 A C -1.587 175.991 177.584 -0.009 0.000 1.047 592 A CA -0.608 51.480 52.037 0.086 0.000 0.632 592 A CB 0.868 19.855 19.000 -0.022 0.000 1.323 592 A HN -0.053 nan 8.150 nan 0.000 0.448 593 M N 1.071 120.602 119.600 -0.116 0.000 2.180 593 M HA 0.618 5.096 4.480 -0.003 0.000 0.350 593 M C 0.057 176.135 176.300 -0.370 0.000 1.125 593 M CA -0.023 55.123 55.300 -0.257 0.000 1.031 593 M CB 1.489 33.968 32.600 -0.202 0.000 1.623 593 M HN 1.182 nan 8.290 nan 0.000 0.451 594 A N 5.933 128.408 122.820 -0.575 0.000 2.312 594 A HA 0.854 5.173 4.320 -0.003 0.000 0.326 594 A C -2.740 174.470 177.584 -0.624 0.000 1.172 594 A CA -1.714 49.865 52.037 -0.763 0.000 0.821 594 A CB 0.276 18.605 19.000 -1.118 0.000 1.166 594 A HN 0.483 nan 8.150 nan 0.000 0.493 595 P HA 0.155 nan 4.420 nan 0.000 0.271 595 P C -0.538 176.894 177.300 0.219 0.000 1.216 595 P CA -0.260 62.745 63.100 -0.157 0.000 0.776 595 P CB 0.403 31.994 31.700 -0.182 0.000 0.881 596 N N 0.807 119.706 118.700 0.332 0.000 2.329 596 N HA -0.039 4.700 4.740 -0.003 0.000 0.237 596 N C 0.250 176.178 175.510 0.695 0.000 1.258 596 N CA 0.495 53.884 53.050 0.565 0.000 0.866 596 N CB -0.211 38.431 38.487 0.258 0.000 1.102 596 N HN 0.498 nan 8.380 nan 0.000 0.440 597 H N -0.235 119.138 119.070 0.504 0.000 2.771 597 H HA 0.416 4.970 4.556 -0.003 0.000 0.364 597 H C -0.241 175.275 175.328 0.314 0.000 1.133 597 H CA -0.487 55.809 56.048 0.413 0.000 1.423 597 H CB 0.676 30.668 29.762 0.384 0.000 1.425 597 H HN 0.567 nan 8.280 nan 0.000 0.606 598 A N 2.256 125.279 122.820 0.337 0.000 2.556 598 A HA 0.443 4.762 4.320 -0.003 0.000 0.294 598 A C -0.919 176.745 177.584 0.134 0.000 1.091 598 A CA -0.674 51.454 52.037 0.152 0.000 0.704 598 A CB 1.360 20.266 19.000 -0.156 0.000 1.300 598 A HN 0.437 nan 8.150 nan 0.000 0.406 599 V N 1.610 121.602 119.914 0.130 0.000 2.498 599 V HA 0.496 4.615 4.120 -0.003 0.000 0.279 599 V C 0.293 176.396 176.094 0.015 0.000 1.048 599 V CA -0.011 62.366 62.300 0.128 0.000 0.967 599 V CB 0.987 32.969 31.823 0.265 0.000 0.988 599 V HN 1.105 nan 8.190 nan 0.000 0.473 600 V N 2.412 122.300 119.914 -0.043 0.000 2.960 600 V HA 1.023 5.141 4.120 -0.003 0.000 0.315 600 V C -0.366 175.675 176.094 -0.090 0.000 1.087 600 V CA -0.286 61.979 62.300 -0.059 0.000 0.982 600 V CB 2.003 33.793 31.823 -0.055 0.000 1.039 600 V HN 0.865 nan 8.190 nan 0.000 0.437 601 S N 0.953 116.616 115.700 -0.062 0.000 2.703 601 S HA 0.575 5.043 4.470 -0.003 0.000 0.273 601 S C -0.864 173.714 174.600 -0.037 0.000 1.178 601 S CA -0.995 57.167 58.200 -0.062 0.000 0.838 601 S CB 1.814 64.989 63.200 -0.041 0.000 1.178 601 S HN 0.966 nan 8.310 nan 0.000 0.494 602 R N 0.750 121.233 120.500 -0.028 0.000 2.560 602 R HA 0.360 4.699 4.340 -0.003 0.000 0.270 602 R C 1.341 177.641 176.300 -0.001 0.000 1.074 602 R CA -0.346 55.746 56.100 -0.014 0.000 1.140 602 R CB 0.195 30.491 30.300 -0.007 0.000 1.073 602 R HN 0.661 nan 8.270 nan 0.000 0.527 603 M N 1.235 120.838 119.600 0.004 0.000 2.202 603 M HA -0.204 4.274 4.480 -0.003 0.000 0.262 603 M C 1.157 177.465 176.300 0.013 0.000 1.063 603 M CA 2.017 57.324 55.300 0.011 0.000 1.097 603 M CB -0.338 32.270 32.600 0.013 0.000 1.382 603 M HN 0.666 nan 8.290 nan 0.000 0.413 604 D N -0.904 119.503 120.400 0.011 0.000 2.378 604 D HA -0.152 4.486 4.640 -0.003 0.000 0.227 604 D C 1.627 177.935 176.300 0.014 0.000 1.012 604 D CA 0.841 54.849 54.000 0.012 0.000 0.905 604 D CB 0.020 40.828 40.800 0.012 0.000 0.895 604 D HN 0.096 nan 8.370 nan 0.000 0.532 605 K N -0.190 120.219 120.400 0.015 0.000 2.373 605 K HA 0.203 4.522 4.320 -0.003 0.000 0.200 605 K C 1.410 178.029 176.600 0.031 0.000 1.054 605 K CA 0.073 56.372 56.287 0.021 0.000 1.065 605 K CB 0.237 32.747 32.500 0.017 0.000 0.886 605 K HN 0.019 nan 8.250 nan 0.000 0.546 606 V N 1.624 121.554 119.914 0.027 0.000 2.250 606 V HA -0.314 3.805 4.120 -0.003 0.000 0.250 606 V C 1.977 178.096 176.094 0.042 0.000 1.060 606 V CA 2.140 64.460 62.300 0.034 0.000 1.030 606 V CB -0.371 31.467 31.823 0.026 0.000 0.643 606 V HN 0.366 nan 8.190 nan 0.000 0.445 607 E N -0.151 120.069 120.200 0.034 0.000 2.031 607 E HA -0.222 4.126 4.350 -0.003 0.000 0.193 607 E C 2.318 178.944 176.600 0.043 0.000 0.994 607 E CA 1.419 57.839 56.400 0.034 0.000 0.800 607 E CB -0.468 29.247 29.700 0.024 0.000 0.752 607 E HN 0.426 nan 8.360 nan 0.000 0.447 608 R N 1.252 121.776 120.500 0.041 0.000 2.070 608 R HA -0.120 4.219 4.340 -0.003 0.000 0.233 608 R C 2.368 178.714 176.300 0.077 0.000 1.137 608 R CA 1.055 57.183 56.100 0.046 0.000 0.945 608 R CB -1.120 29.201 30.300 0.035 0.000 0.845 608 R HN 0.211 nan 8.270 nan 0.000 0.430 609 L N 1.044 122.322 121.223 0.092 0.000 2.043 609 L HA -0.176 4.163 4.340 -0.003 0.000 0.212 609 L C 2.166 179.134 176.870 0.164 0.000 1.075 609 L CA 2.217 57.144 54.840 0.145 0.000 0.752 609 L CB -0.653 41.487 42.059 0.136 0.000 0.891 609 L HN 0.278 nan 8.230 nan 0.000 0.432 610 K N -0.836 119.636 120.400 0.120 0.000 2.026 610 K HA -0.235 4.084 4.320 -0.003 0.000 0.208 610 K C 2.153 178.821 176.600 0.112 0.000 1.048 610 K CA 1.796 58.151 56.287 0.113 0.000 0.929 610 K CB -0.162 32.383 32.500 0.074 0.000 0.713 610 K HN 0.734 nan 8.250 nan 0.000 0.439 611 Q N -0.384 119.471 119.800 0.092 0.000 2.167 611 Q HA -0.094 4.244 4.340 -0.003 0.000 0.202 611 Q C 1.862 177.936 176.000 0.124 0.000 0.970 611 Q CA 1.372 57.226 55.803 0.085 0.000 0.855 611 Q CB -0.210 28.557 28.738 0.047 0.000 0.911 611 Q HN 0.071 nan 8.270 nan 0.000 0.438 612 V N 1.722 121.721 119.914 0.141 0.000 2.270 612 V HA -0.244 3.875 4.120 -0.003 0.000 0.245 612 V C 2.405 178.658 176.094 0.265 0.000 1.043 612 V CA 1.578 63.994 62.300 0.193 0.000 1.014 612 V CB -0.569 31.359 31.823 0.175 0.000 0.645 612 V HN 0.351 nan 8.190 nan 0.000 0.447 613 L N -0.722 120.663 121.223 0.271 0.000 2.042 613 L HA -0.220 4.118 4.340 -0.003 0.000 0.210 613 L C 2.437 179.420 176.870 0.189 0.000 1.076 613 L CA 1.537 56.548 54.840 0.285 0.000 0.749 613 L CB -0.499 41.751 42.059 0.318 0.000 0.893 613 L HN 0.328 nan 8.230 nan 0.000 0.432 614 L N -1.135 120.183 121.223 0.159 0.000 2.046 614 L HA -0.282 4.057 4.340 -0.003 0.000 0.208 614 L C 2.732 179.660 176.870 0.097 0.000 1.077 614 L CA 1.383 56.288 54.840 0.108 0.000 0.747 614 L CB -0.843 41.272 42.059 0.094 0.000 0.896 614 L HN 0.449 nan 8.230 nan 0.000 0.432 615 H N -0.069 119.025 119.070 0.039 0.000 2.270 615 H HA -0.164 4.390 4.556 -0.003 0.000 0.299 615 H C 2.187 177.499 175.328 -0.026 0.000 1.077 615 H CA 1.512 57.562 56.048 0.004 0.000 1.294 615 H CB 0.207 29.979 29.762 0.017 0.000 1.371 615 H HN 0.297 nan 8.280 nan 0.000 0.491 616 Q N 0.537 120.318 119.800 -0.031 0.000 2.112 616 Q HA -0.226 4.113 4.340 -0.003 0.000 0.206 616 Q C 2.449 178.335 176.000 -0.190 0.000 0.987 616 Q CA 2.070 57.838 55.803 -0.058 0.000 0.858 616 Q CB -0.462 28.513 28.738 0.394 0.000 0.905 616 Q HN 0.797 nan 8.270 nan 0.000 0.420 617 Q N -0.756 118.971 119.800 -0.122 0.000 2.297 617 Q HA 0.072 4.410 4.340 -0.003 0.000 0.204 617 Q C 1.735 177.620 176.000 -0.191 0.000 0.962 617 Q CA 1.103 56.797 55.803 -0.181 0.000 0.879 617 Q CB -0.112 28.595 28.738 -0.052 0.000 0.947 617 Q HN 0.229 nan 8.270 nan 0.000 0.462 618 A N 0.987 123.685 122.820 -0.203 0.000 2.014 618 A HA -0.051 4.267 4.320 -0.003 0.000 0.218 618 A C 1.933 179.347 177.584 -0.284 0.000 1.163 618 A CA 1.078 53.001 52.037 -0.190 0.000 0.652 618 A CB -0.108 18.800 19.000 -0.153 0.000 0.808 618 A HN 0.296 nan 8.150 nan 0.000 0.449 619 K N -1.666 118.444 120.400 -0.483 0.000 2.141 619 K HA 0.126 4.444 4.320 -0.003 0.000 0.202 619 K C 0.230 176.473 176.600 -0.595 0.000 1.045 619 K CA 0.890 56.771 56.287 -0.677 0.000 0.971 619 K CB 0.048 31.834 32.500 -1.190 0.000 0.795 619 K HN 0.466 nan 8.250 nan 0.000 0.459 620 F N 0.339 120.184 119.950 -0.175 0.000 2.654 620 F HA 0.288 4.813 4.527 -0.003 0.000 0.303 620 F C 1.080 176.611 175.800 -0.448 0.000 1.099 620 F CA -0.806 57.051 58.000 -0.238 0.000 1.270 620 F CB -0.075 38.843 39.000 -0.137 0.000 1.024 620 F HN -0.085 nan 8.300 nan 0.000 0.548 621 G N -0.003 108.627 108.800 -0.282 0.000 2.553 621 G HA2 0.112 4.071 3.960 -0.003 0.000 0.278 621 G HA3 0.112 4.071 3.960 -0.003 0.000 0.278 621 G C 1.217 176.022 174.900 -0.158 0.000 1.349 621 G CA -0.390 44.506 45.100 -0.340 0.000 1.037 621 G HN 0.038 nan 8.290 nan 0.000 0.508 622 R N -0.210 120.308 120.500 0.029 0.000 2.097 622 R HA -0.117 4.222 4.340 -0.003 0.000 0.236 622 R C 1.162 177.457 176.300 -0.007 0.000 1.135 622 R CA 1.860 57.992 56.100 0.054 0.000 0.934 622 R CB -0.555 29.810 30.300 0.107 0.000 0.846 622 R HN 0.643 nan 8.270 nan 0.000 0.431 623 N N -0.145 118.548 118.700 -0.011 0.000 2.558 623 N HA 0.157 4.896 4.740 -0.003 0.000 0.281 623 N C -0.231 175.250 175.510 -0.048 0.000 1.219 623 N CA -0.249 52.786 53.050 -0.025 0.000 0.942 623 N CB 1.091 39.568 38.487 -0.018 0.000 1.241 623 N HN 0.137 nan 8.380 nan 0.000 0.511 624 G N 0.334 109.093 108.800 -0.069 0.000 2.361 624 G HA2 0.082 4.040 3.960 -0.003 0.000 0.260 624 G HA3 0.082 4.040 3.960 -0.003 0.000 0.260 624 G C 1.130 175.986 174.900 -0.073 0.000 1.261 624 G CA -0.480 44.559 45.100 -0.101 0.000 0.897 624 G HN 0.281 nan 8.290 nan 0.000 0.499 625 S N 2.686 118.331 115.700 -0.092 0.000 2.389 625 S HA -0.243 4.225 4.470 -0.003 0.000 0.229 625 S C 1.097 175.682 174.600 -0.025 0.000 1.048 625 S CA 1.851 60.013 58.200 -0.062 0.000 1.117 625 S CB -0.296 62.855 63.200 -0.081 0.000 1.020 625 S HN 0.491 nan 8.310 nan 0.000 0.430 626 D N 0.496 120.890 120.400 -0.010 0.000 2.538 626 D HA 0.303 4.942 4.640 -0.003 0.000 0.234 626 D C 1.102 177.503 176.300 0.168 0.000 1.191 626 D CA -0.030 54.031 54.000 0.100 0.000 0.828 626 D CB -0.365 40.559 40.800 0.205 0.000 0.981 626 D HN 0.478 nan 8.370 nan 0.000 0.490 627 c N 0.821 119.464 118.600 0.071 0.000 3.688 627 c HA 0.022 4.590 4.570 -0.003 0.000 0.294 627 c C -0.479 173.608 174.090 -0.005 0.000 1.278 627 c CA 0.565 56.908 56.329 0.024 0.000 1.778 627 c CB -0.818 41.659 42.510 -0.054 0.000 2.148 627 c HN 0.195 nan 8.230 nan 0.000 0.473 628 P HA -0.106 nan 4.420 nan 0.000 0.215 628 P C 1.074 178.376 177.300 0.003 0.000 1.157 628 P CA 1.993 65.080 63.100 -0.021 0.000 0.874 628 P CB -0.253 31.437 31.700 -0.018 0.000 0.790 629 D N -0.658 119.755 120.400 0.021 0.000 2.106 629 D HA -0.178 4.460 4.640 -0.003 0.000 0.191 629 D C 1.757 178.088 176.300 0.051 0.000 0.997 629 D CA 1.528 55.548 54.000 0.034 0.000 0.834 629 D CB -0.093 40.731 40.800 0.039 0.000 0.956 629 D HN 0.281 nan 8.370 nan 0.000 0.448 630 K N -1.817 118.635 120.400 0.086 0.000 2.267 630 K HA 0.161 4.479 4.320 -0.003 0.000 0.213 630 K C 0.104 176.783 176.600 0.132 0.000 1.060 630 K CA -0.100 56.252 56.287 0.108 0.000 0.935 630 K CB 1.213 33.811 32.500 0.163 0.000 1.096 630 K HN -0.013 nan 8.250 nan 0.000 0.468 631 F N 0.253 120.150 119.950 -0.088 0.000 2.650 631 F HA 0.335 4.861 4.527 -0.003 0.000 0.310 631 F C -1.944 173.746 175.800 -0.182 0.000 1.112 631 F CA -1.156 56.704 58.000 -0.233 0.000 0.986 631 F CB 1.343 40.018 39.000 -0.542 0.000 1.285 631 F HN -0.038 nan 8.300 nan 0.000 0.440 632 c N 6.801 124.793 118.600 -1.012 0.000 2.369 632 c HA 0.422 4.990 4.570 -0.003 0.000 0.322 632 c C 1.477 174.799 174.090 -1.280 0.000 1.258 632 c CA -0.708 55.129 56.329 -0.821 0.000 1.487 632 c CB 0.804 43.050 42.510 -0.439 0.000 2.165 632 c HN 1.040 nan 8.230 nan 0.000 0.483 633 L N 1.246 121.803 121.223 -1.109 0.000 2.017 633 L HA -0.049 4.290 4.340 -0.003 0.000 0.208 633 L C 1.226 177.721 176.870 -0.624 0.000 1.073 633 L CA 1.852 56.070 54.840 -1.036 0.000 0.745 633 L CB -0.157 41.081 42.059 -1.368 0.000 0.894 633 L HN 0.680 nan 8.230 nan 0.000 0.432 634 F N -0.614 119.129 119.950 -0.345 0.000 2.701 634 F HA 0.266 4.792 4.527 -0.002 0.000 0.295 634 F C 0.452 176.169 175.800 -0.138 0.000 1.165 634 F CA -0.346 57.537 58.000 -0.195 0.000 1.399 634 F CB -0.673 38.211 39.000 -0.192 0.000 0.996 634 F HN 0.060 nan 8.300 nan 0.000 0.513 635 Q N 0.072 119.822 119.800 -0.082 0.000 2.372 635 Q HA 0.585 4.923 4.340 -0.003 0.000 0.273 635 Q C 0.331 176.293 176.000 -0.063 0.000 1.078 635 Q CA -0.333 55.427 55.803 -0.071 0.000 0.806 635 Q CB 2.072 30.732 28.738 -0.130 0.000 1.332 635 Q HN 0.110 nan 8.270 nan 0.000 0.435 636 S N 0.728 116.425 115.700 -0.004 0.000 2.671 636 S HA 0.067 4.536 4.470 -0.003 0.000 0.231 636 S C -1.058 173.567 174.600 0.041 0.000 0.882 636 S CA -0.010 58.205 58.200 0.025 0.000 1.476 636 S CB -0.475 62.766 63.200 0.069 0.000 1.257 636 S HN 0.808 nan 8.310 nan 0.000 0.633 637 E N 1.787 122.003 120.200 0.027 0.000 2.937 637 E HA -0.258 4.090 4.350 -0.003 0.000 0.152 637 E C 0.393 177.030 176.600 0.062 0.000 1.769 637 E CA 0.733 57.152 56.400 0.032 0.000 0.688 637 E CB -2.774 26.940 29.700 0.024 0.000 1.091 637 E HN 1.643 nan 8.360 nan 0.000 0.362 638 T N -0.701 113.889 114.554 0.060 0.000 7.879 638 T HA -0.355 3.994 4.350 -0.003 0.000 0.329 638 T C 0.716 175.499 174.700 0.137 0.000 1.790 638 T CA 2.062 64.216 62.100 0.090 0.000 2.688 638 T CB -1.535 67.399 68.868 0.110 0.000 2.624 638 T HN 0.748 nan 8.240 nan 0.000 1.233 639 K N 0.986 121.465 120.400 0.132 0.000 2.379 639 K HA 0.160 4.479 4.320 -0.003 0.000 0.194 639 K C 0.640 177.339 176.600 0.166 0.000 1.031 639 K CA 0.143 56.524 56.287 0.156 0.000 1.037 639 K CB 0.043 32.627 32.500 0.140 0.000 0.824 639 K HN 0.446 nan 8.250 nan 0.000 0.516 640 N N 1.541 120.332 118.700 0.152 0.000 2.705 640 N HA -0.164 4.575 4.740 -0.003 0.000 0.255 640 N C -1.196 174.434 175.510 0.200 0.000 1.008 640 N CA 0.576 53.733 53.050 0.179 0.000 0.742 640 N CB -0.880 37.729 38.487 0.203 0.000 0.906 640 N HN 0.067 nan 8.380 nan 0.000 0.541 641 L N 1.066 122.397 121.223 0.180 0.000 2.281 641 L HA 0.297 4.635 4.340 -0.003 0.000 0.285 641 L C 1.834 178.809 176.870 0.175 0.000 1.074 641 L CA 0.219 55.162 54.840 0.172 0.000 0.817 641 L CB 0.265 42.412 42.059 0.146 0.000 1.168 641 L HN 0.408 nan 8.230 nan 0.000 0.434 642 L N 1.611 122.914 121.223 0.133 0.000 4.081 642 L HA -0.344 3.994 4.340 -0.003 0.000 0.374 642 L C -0.312 176.383 176.870 -0.291 0.000 0.713 642 L CA 1.330 56.155 54.840 -0.025 0.000 2.809 642 L CB -1.106 40.914 42.059 -0.064 0.000 0.820 642 L HN 0.412 nan 8.230 nan 0.000 0.697 643 F N -1.250 118.854 119.950 0.257 0.000 2.685 643 F HA 0.451 4.976 4.527 -0.003 0.000 0.315 643 F C 0.453 176.376 175.800 0.205 0.000 1.126 643 F CA -0.953 57.206 58.000 0.265 0.000 0.950 643 F CB 0.692 39.867 39.000 0.292 0.000 1.360 643 F HN -0.207 nan 8.300 nan 0.000 0.469 644 N N 1.372 120.292 118.700 0.366 0.000 2.520 644 N HA 0.056 4.794 4.740 -0.003 0.000 0.273 644 N C 0.185 175.766 175.510 0.118 0.000 1.155 644 N CA 0.095 53.243 53.050 0.164 0.000 0.967 644 N CB 1.068 39.544 38.487 -0.018 0.000 1.092 644 N HN 0.583 nan 8.380 nan 0.000 0.457 645 D N 0.406 120.847 120.400 0.068 0.000 2.263 645 D HA -0.135 4.503 4.640 -0.003 0.000 0.208 645 D C 1.090 177.391 176.300 0.002 0.000 0.971 645 D CA 0.994 55.027 54.000 0.056 0.000 0.867 645 D CB 0.054 40.872 40.800 0.031 0.000 0.929 645 D HN 0.606 nan 8.370 nan 0.000 0.492 646 N N 0.442 119.102 118.700 -0.067 0.000 2.313 646 N HA -0.062 4.676 4.740 -0.003 0.000 0.207 646 N C -0.273 175.232 175.510 -0.008 0.000 1.141 646 N CA 0.045 53.047 53.050 -0.080 0.000 0.830 646 N CB -0.172 38.205 38.487 -0.183 0.000 1.008 646 N HN -0.238 nan 8.380 nan 0.000 0.481 647 T N 1.124 115.639 114.554 -0.065 0.000 2.834 647 T HA 0.012 4.360 4.350 -0.003 0.000 0.298 647 T C 1.004 175.454 174.700 -0.418 0.000 0.966 647 T CA -0.048 61.882 62.100 -0.284 0.000 1.141 647 T CB 1.798 70.217 68.868 -0.749 0.000 0.905 647 T HN 0.250 nan 8.240 nan 0.000 0.535 648 E N 0.977 121.000 120.200 -0.294 0.000 2.042 648 E HA 0.031 4.379 4.350 -0.003 0.000 0.189 648 E C 0.872 177.347 176.600 -0.209 0.000 0.974 648 E CA 0.624 56.918 56.400 -0.177 0.000 0.806 648 E CB 0.322 29.962 29.700 -0.101 0.000 0.769 648 E HN 0.865 nan 8.360 nan 0.000 0.451 649 c N -2.089 116.324 118.600 -0.312 0.000 3.320 649 c HA 0.577 5.145 4.570 -0.003 0.000 0.335 649 c C -1.032 172.908 174.090 -0.251 0.000 1.430 649 c CA -1.384 54.832 56.329 -0.189 0.000 1.271 649 c CB 0.139 42.627 42.510 -0.037 0.000 1.609 649 c HN 0.113 nan 8.230 nan 0.000 0.457 650 L N 2.341 123.515 121.223 -0.082 0.000 2.265 650 L HA 0.677 5.016 4.340 -0.003 0.000 0.288 650 L C 0.672 177.536 176.870 -0.010 0.000 1.058 650 L CA 0.129 54.949 54.840 -0.033 0.000 0.809 650 L CB 1.131 43.236 42.059 0.077 0.000 1.179 650 L HN 1.057 nan 8.230 nan 0.000 0.429 651 A N 4.598 127.405 122.820 -0.022 0.000 2.346 651 A HA 0.747 5.065 4.320 -0.003 0.000 0.313 651 A C -0.396 177.170 177.584 -0.030 0.000 1.140 651 A CA -0.802 51.223 52.037 -0.019 0.000 0.826 651 A CB 1.150 20.141 19.000 -0.015 0.000 1.332 651 A HN 0.709 nan 8.150 nan 0.000 0.457 652 R N -0.063 120.378 120.500 -0.099 0.000 2.539 652 R HA 0.310 4.649 4.340 -0.003 0.000 0.275 652 R C 0.366 176.527 176.300 -0.232 0.000 1.077 652 R CA -0.334 55.649 56.100 -0.196 0.000 1.097 652 R CB 0.459 30.567 30.300 -0.319 0.000 1.018 652 R HN 0.661 nan 8.270 nan 0.000 0.483 653 L N 1.864 123.011 121.223 -0.127 0.000 2.492 653 L HA -0.002 4.337 4.340 -0.003 0.000 0.223 653 L C 0.013 176.942 176.870 0.098 0.000 1.132 653 L CA 0.105 54.965 54.840 0.034 0.000 0.850 653 L CB -0.376 41.720 42.059 0.061 0.000 0.966 653 L HN 0.718 nan 8.230 nan 0.000 0.454 654 H N 0.225 119.338 119.070 0.071 0.000 2.677 654 H HA -0.180 4.376 4.556 -0.001 0.000 0.321 654 H C 1.456 176.819 175.328 0.059 0.000 1.171 654 H CA 0.719 56.801 56.048 0.057 0.000 1.139 654 H CB -1.527 28.265 29.762 0.050 0.000 1.515 654 H HN 0.591 nan 8.280 nan 0.000 0.423 655 G N -0.127 108.746 108.800 0.121 0.000 2.268 655 G HA2 -0.336 3.622 3.960 -0.003 0.000 0.240 655 G HA3 -0.336 3.622 3.960 -0.003 0.000 0.240 655 G C 0.600 175.561 174.900 0.103 0.000 1.010 655 G CA 0.330 45.489 45.100 0.099 0.000 0.618 655 G HN 0.437 nan 8.290 nan 0.000 0.516 656 K N 1.622 122.107 120.400 0.142 0.000 2.449 656 K HA 0.272 4.591 4.320 -0.003 0.000 0.237 656 K C 1.351 178.048 176.600 0.161 0.000 1.265 656 K CA 0.641 57.031 56.287 0.172 0.000 1.193 656 K CB 0.295 32.951 32.500 0.261 0.000 1.515 656 K HN 0.319 nan 8.250 nan 0.000 0.259 657 T N -0.632 113.983 114.554 0.101 0.000 3.129 657 T HA -0.029 4.319 4.350 -0.003 0.000 0.251 657 T C 0.663 175.409 174.700 0.077 0.000 1.117 657 T CA 0.218 62.360 62.100 0.071 0.000 1.034 657 T CB 0.103 69.001 68.868 0.050 0.000 0.968 657 T HN 0.480 nan 8.240 nan 0.000 0.526 658 T N -0.780 113.830 114.554 0.094 0.000 2.932 658 T HA 0.424 4.773 4.350 -0.003 0.000 0.289 658 T C 0.795 175.586 174.700 0.151 0.000 1.039 658 T CA -0.638 61.520 62.100 0.097 0.000 1.024 658 T CB 1.109 69.986 68.868 0.015 0.000 1.090 658 T HN 0.267 nan 8.240 nan 0.000 0.496 659 Y N 0.424 120.788 120.300 0.107 0.000 2.274 659 Y HA 0.039 4.587 4.550 -0.002 0.000 0.290 659 Y C 1.981 177.998 175.900 0.196 0.000 1.145 659 Y CA 1.247 59.448 58.100 0.168 0.000 1.203 659 Y CB -0.784 37.744 38.460 0.113 0.000 0.984 659 Y HN 0.709 nan 8.280 nan 0.000 0.533 660 E N 1.129 120.993 120.200 -0.560 0.000 2.047 660 E HA -0.155 4.194 4.350 -0.003 0.000 0.191 660 E C 1.977 178.533 176.600 -0.073 0.000 0.987 660 E CA 1.526 57.697 56.400 -0.382 0.000 0.799 660 E CB -0.124 29.310 29.700 -0.444 0.000 0.752 660 E HN 0.619 nan 8.360 nan 0.000 0.449 661 K N 0.000 120.388 120.400 -0.020 0.000 2.103 661 K HA -0.145 4.173 4.320 -0.003 0.000 0.204 661 K C 2.104 178.769 176.600 0.109 0.000 1.052 661 K CA 0.986 57.300 56.287 0.045 0.000 0.945 661 K CB -0.204 32.331 32.500 0.058 0.000 0.722 661 K HN 0.114 nan 8.250 nan 0.000 0.443 662 Y N 1.605 121.943 120.300 0.064 0.000 2.184 662 Y HA -0.105 4.443 4.550 -0.002 0.000 0.290 662 Y C 1.759 177.740 175.900 0.135 0.000 1.129 662 Y CA 1.267 59.431 58.100 0.106 0.000 1.144 662 Y CB -0.084 38.457 38.460 0.135 0.000 0.995 662 Y HN -0.105 nan 8.280 nan 0.000 0.513 663 L N -0.421 120.909 121.223 0.180 0.000 2.109 663 L HA 0.127 4.465 4.340 -0.003 0.000 0.207 663 L C 0.986 177.927 176.870 0.118 0.000 1.086 663 L CA 0.804 55.756 54.840 0.186 0.000 0.760 663 L CB -0.949 41.358 42.059 0.414 0.000 0.910 663 L HN 0.465 nan 8.230 nan 0.000 0.437 664 G N -1.249 107.603 108.800 0.087 0.000 2.784 664 G HA2 -0.115 3.843 3.960 -0.003 0.000 0.686 664 G HA3 -0.115 3.843 3.960 -0.003 0.000 0.686 664 G C -2.417 172.531 174.900 0.081 0.000 1.156 664 G CA -0.621 44.514 45.100 0.059 0.000 0.757 664 G HN -0.096 nan 8.290 nan 0.000 0.642 665 P HA -0.125 nan 4.420 nan 0.000 0.215 665 P C 1.882 179.217 177.300 0.059 0.000 1.153 665 P CA 1.866 64.991 63.100 0.042 0.000 0.853 665 P CB 0.128 31.843 31.700 0.026 0.000 0.788 666 Q N -1.815 118.027 119.800 0.070 0.000 2.046 666 Q HA -0.195 4.144 4.340 -0.003 0.000 0.200 666 Q C 2.169 178.244 176.000 0.125 0.000 0.975 666 Q CA 1.366 57.217 55.803 0.080 0.000 0.836 666 Q CB -1.536 27.244 28.738 0.071 0.000 0.896 666 Q HN 0.254 nan 8.270 nan 0.000 0.428 667 Y N 0.813 121.114 120.300 0.002 0.000 2.224 667 Y HA -0.172 4.376 4.550 -0.002 0.000 0.289 667 Y C 2.016 177.919 175.900 0.005 0.000 1.146 667 Y CA 0.770 58.869 58.100 -0.001 0.000 1.182 667 Y CB -0.283 38.175 38.460 -0.002 0.000 0.983 667 Y HN -0.073 nan 8.280 nan 0.000 0.524 668 V N 0.136 120.048 119.914 -0.002 0.000 2.427 668 V HA -0.287 3.831 4.120 -0.003 0.000 0.248 668 V C 2.663 178.715 176.094 -0.071 0.000 1.051 668 V CA 1.613 63.884 62.300 -0.049 0.000 1.048 668 V CB -1.514 30.374 31.823 0.108 0.000 0.666 668 V HN 0.511 nan 8.190 nan 0.000 0.456 669 A N 0.590 123.403 122.820 -0.012 0.000 1.902 669 A HA -0.104 4.214 4.320 -0.003 0.000 0.217 669 A C 2.433 179.996 177.584 -0.035 0.000 1.181 669 A CA 1.971 54.009 52.037 0.001 0.000 0.623 669 A CB -1.238 17.781 19.000 0.032 0.000 0.818 669 A HN 0.517 nan 8.150 nan 0.000 0.443 670 G N 0.076 108.847 108.800 -0.049 0.000 2.446 670 G HA2 -0.217 3.742 3.960 -0.003 0.000 0.217 670 G HA3 -0.217 3.742 3.960 -0.003 0.000 0.217 670 G C 1.523 176.324 174.900 -0.165 0.000 1.168 670 G CA 1.227 46.295 45.100 -0.053 0.000 0.771 670 G HN 0.491 nan 8.290 nan 0.000 0.551 671 I N 0.707 121.062 120.570 -0.359 0.000 2.353 671 I HA -0.121 4.048 4.170 -0.003 0.000 0.248 671 I C 2.940 178.825 176.117 -0.387 0.000 1.119 671 I CA 1.267 62.273 61.300 -0.490 0.000 1.417 671 I CB -0.484 36.968 38.000 -0.913 0.000 1.078 671 I HN 0.085 nan 8.210 nan 0.000 0.421 672 T N 0.625 115.006 114.554 -0.288 0.000 2.720 672 T HA -0.175 4.173 4.350 -0.003 0.000 0.268 672 T C 1.800 176.468 174.700 -0.054 0.000 1.037 672 T CA 1.377 63.418 62.100 -0.098 0.000 1.144 672 T CB -0.341 68.535 68.868 0.012 0.000 0.864 672 T HN 0.332 nan 8.240 nan 0.000 0.444 673 N N 0.974 119.643 118.700 -0.052 0.000 2.084 673 N HA 0.027 4.766 4.740 -0.003 0.000 0.190 673 N C 1.935 177.370 175.510 -0.124 0.000 1.030 673 N CA 0.931 53.970 53.050 -0.018 0.000 0.849 673 N CB -0.332 38.191 38.487 0.060 0.000 1.012 673 N HN 0.331 nan 8.380 nan 0.000 0.423 674 L N 1.299 122.411 121.223 -0.186 0.000 2.127 674 L HA -0.141 4.197 4.340 -0.003 0.000 0.211 674 L C 1.986 178.810 176.870 -0.077 0.000 1.089 674 L CA 0.986 55.695 54.840 -0.219 0.000 0.757 674 L CB -0.164 41.788 42.059 -0.177 0.000 0.899 674 L HN 0.041 nan 8.230 nan 0.000 0.434 675 K N -0.070 120.291 120.400 -0.065 0.000 2.365 675 K HA -0.069 4.249 4.320 -0.003 0.000 0.199 675 K C 1.819 178.431 176.600 0.019 0.000 1.045 675 K CA 0.637 56.925 56.287 0.001 0.000 0.962 675 K CB -0.066 32.447 32.500 0.020 0.000 0.759 675 K HN 0.233 nan 8.250 nan 0.000 0.469 676 K N 0.136 120.534 120.400 -0.003 0.000 2.283 676 K HA -0.028 4.290 4.320 -0.003 0.000 0.202 676 K C 1.962 178.566 176.600 0.006 0.000 1.048 676 K CA 0.612 56.908 56.287 0.015 0.000 0.948 676 K CB -0.501 32.018 32.500 0.032 0.000 0.742 676 K HN 0.091 nan 8.250 nan 0.000 0.458 677 c N 1.306 119.893 118.600 -0.022 0.000 2.481 677 c HA 0.076 4.644 4.570 -0.003 0.000 0.275 677 c C 0.899 174.991 174.090 0.004 0.000 1.419 677 c CA 0.257 56.555 56.329 -0.053 0.000 1.773 677 c CB -0.999 41.396 42.510 -0.191 0.000 1.862 677 c HN 0.538 nan 8.230 nan 0.000 0.530 678 S N -1.278 114.451 115.700 0.048 0.000 2.751 678 S HA 0.412 4.881 4.470 -0.003 0.000 0.289 678 S C -0.942 173.692 174.600 0.056 0.000 0.965 678 S CA -0.290 57.942 58.200 0.054 0.000 0.855 678 S CB 0.359 63.606 63.200 0.079 0.000 1.068 678 S HN 0.407 nan 8.310 nan 0.000 0.462 679 T N -0.816 113.761 114.554 0.039 0.000 2.906 679 T HA 0.868 5.216 4.350 -0.003 0.000 0.295 679 T C 0.179 174.891 174.700 0.019 0.000 1.075 679 T CA -0.237 61.885 62.100 0.037 0.000 1.005 679 T CB 1.382 70.274 68.868 0.040 0.000 1.136 679 T HN 1.742 nan 8.240 nan 0.000 0.498 680 S N 0.760 116.470 115.700 0.016 0.000 2.632 680 S HA 0.396 4.865 4.470 -0.003 0.000 0.267 680 S C -1.916 172.679 174.600 -0.009 0.000 1.276 680 S CA -1.128 57.070 58.200 -0.002 0.000 0.998 680 S CB 0.518 63.716 63.200 -0.003 0.000 0.953 680 S HN 0.538 nan 8.310 nan 0.000 0.547 681 P HA -0.038 nan 4.420 nan 0.000 0.217 681 P C 1.572 178.853 177.300 -0.030 0.000 1.150 681 P CA 0.289 63.370 63.100 -0.030 0.000 0.832 681 P CB 0.000 31.677 31.700 -0.039 0.000 0.787 682 L N -0.937 120.268 121.223 -0.031 0.000 2.017 682 L HA -0.143 4.196 4.340 -0.003 0.000 0.208 682 L C 2.068 178.922 176.870 -0.026 0.000 1.073 682 L CA 1.798 56.618 54.840 -0.034 0.000 0.745 682 L CB -1.475 40.559 42.059 -0.041 0.000 0.894 682 L HN -0.116 nan 8.230 nan 0.000 0.432 683 L N -0.342 120.872 121.223 -0.016 0.000 2.083 683 L HA -0.206 4.132 4.340 -0.003 0.000 0.209 683 L C 2.524 179.395 176.870 0.001 0.000 1.083 683 L CA 1.701 56.534 54.840 -0.011 0.000 0.752 683 L CB -0.776 41.296 42.059 0.021 0.000 0.899 683 L HN 0.452 nan 8.230 nan 0.000 0.433 684 E N -1.345 118.857 120.200 0.004 0.000 2.107 684 E HA -0.166 4.182 4.350 -0.003 0.000 0.191 684 E C 2.166 178.783 176.600 0.029 0.000 0.982 684 E CA 0.854 57.262 56.400 0.013 0.000 0.809 684 E CB 0.012 29.707 29.700 -0.008 0.000 0.756 684 E HN 0.540 nan 8.360 nan 0.000 0.459 685 A N 0.247 123.072 122.820 0.009 0.000 1.873 685 A HA -0.185 4.134 4.320 -0.003 0.000 0.215 685 A C 2.366 180.004 177.584 0.089 0.000 1.186 685 A CA 1.309 53.363 52.037 0.029 0.000 0.616 685 A CB -0.730 18.266 19.000 -0.007 0.000 0.823 685 A HN 0.459 nan 8.150 nan 0.000 0.442 686 c N -1.070 117.549 118.600 0.032 0.000 2.446 686 c HA 0.030 4.598 4.570 -0.003 0.000 0.279 686 c C 2.566 176.668 174.090 0.021 0.000 1.366 686 c CA 1.074 57.409 56.329 0.010 0.000 1.763 686 c CB -1.043 41.439 42.510 -0.046 0.000 1.929 686 c HN 0.744 nan 8.230 nan 0.000 0.509 687 E N 0.556 120.782 120.200 0.042 0.000 2.106 687 E HA -0.164 4.184 4.350 -0.003 0.000 0.192 687 E C 1.718 178.358 176.600 0.067 0.000 0.984 687 E CA 1.029 57.454 56.400 0.042 0.000 0.806 687 E CB -0.332 29.399 29.700 0.052 0.000 0.750 687 E HN 0.656 nan 8.360 nan 0.000 0.458 688 F N 0.284 120.218 119.950 -0.027 0.000 2.146 688 F HA -0.048 4.478 4.527 -0.003 0.000 0.298 688 F C 1.542 177.320 175.800 -0.036 0.000 1.096 688 F CA 1.191 59.178 58.000 -0.022 0.000 1.275 688 F CB 0.021 39.013 39.000 -0.014 0.000 1.008 688 F HN -0.006 nan 8.300 nan 0.000 0.480 689 L N -0.016 121.218 121.223 0.018 0.000 2.313 689 L HA -0.047 4.291 4.340 -0.003 0.000 0.214 689 L C 2.229 178.998 176.870 -0.168 0.000 1.119 689 L CA 0.463 55.235 54.840 -0.113 0.000 0.809 689 L CB -0.539 41.521 42.059 0.002 0.000 0.933 689 L HN 0.037 nan 8.230 nan 0.000 0.449 690 R N 0.284 120.711 120.500 -0.122 0.000 2.210 690 R HA 0.107 4.445 4.340 -0.003 0.000 0.203 690 R C 0.886 177.111 176.300 -0.125 0.000 1.010 690 R CA 0.115 56.149 56.100 -0.109 0.000 1.008 690 R CB -0.100 30.162 30.300 -0.064 0.000 0.923 690 R HN 0.340 nan 8.270 nan 0.000 0.469 691 K N 0.000 120.309 120.400 -0.152 0.000 2.780 691 K HA 0.000 4.318 4.320 -0.003 0.000 0.191 691 K CA 0.000 56.208 56.287 -0.131 0.000 0.838 691 K CB 0.000 32.398 32.500 -0.170 0.000 1.064 691 K HN 0.000 nan 8.250 nan 0.000 0.543