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 1lfh_1_A DATA FIRST_RESID 1 DATA SEQUENCE GRRRSVQWcA VSNPEATKcF QWQRNMRKVR GPPVScIKRD SPIQcIQAIA DATA SEQUENCE ENRADAVTLD GGFIYEAGLA PYKLRPVAAE VYGTERQPRT HYYAVAVVKK DATA SEQUENCE GGSFQLNELQ GLKScHTGLR RTAGWNVPIG TLRPFLNWTG PPEPIEAAVA DATA SEQUENCE RFFSAScVPG ADKGQFPNLc RLcAGTGENK cAFSSQEPYF SYSGAFKcLK DATA SEQUENCE DGAGDVAFIR ESTVFEDLSD EAERDEYELL cPDNTRKPVD KFKDcHLARV DATA SEQUENCE PSHAVVARSV NGKEDAIWNL LRQAQEKFGK DKSPKFQLFG SPSGQKDLLF DATA SEQUENCE KDSAIGFSRV PPRIDSGLYL GSGYFTAIQN LRKSEEEVAA RRARVVWcAV DATA SEQUENCE GEQELRKcNQ WSGLSEGSVT cSSASTTEDc IALVLKGEAD AMSLDGGYVY DATA SEQUENCE TAGKcGLVPV LAENYKSQQS SDPDPNcVDR PVEGYLAVAV VRRSDTSLTW DATA SEQUENCE NSVKGKKScH TAVDRTAGWN IPMGLLFNQT GScKFDEYFS QScAPGSDPR DATA SEQUENCE SNLcALcIGD EEGENKcVPN 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 3.959 3.960 -0.001 0.000 0.244 1 G C 0.000 174.892 174.900 -0.013 0.000 0.946 1 G CA 0.000 45.093 45.100 -0.012 0.000 0.502 2 R N 2.618 123.109 120.500 -0.015 0.000 2.248 2 R HA 0.303 4.643 4.340 -0.001 0.000 0.337 2 R C 0.372 176.660 176.300 -0.019 0.000 1.106 2 R CA -0.568 55.522 56.100 -0.017 0.000 0.959 2 R CB 0.507 30.795 30.300 -0.020 0.000 1.075 2 R HN 0.728 nan 8.270 nan 0.000 0.480 3 R N 1.118 121.607 120.500 -0.018 0.000 2.465 3 R HA -0.225 4.115 4.340 -0.001 0.000 0.274 3 R C 0.354 176.640 176.300 -0.023 0.000 0.938 3 R CA 0.097 56.185 56.100 -0.020 0.000 1.035 3 R CB 0.123 30.410 30.300 -0.022 0.000 0.832 3 R HN 0.513 nan 8.270 nan 0.000 0.427 4 R N 1.901 122.387 120.500 -0.023 0.000 2.416 4 R HA -0.038 4.302 4.340 -0.001 0.000 0.207 4 R C -0.287 175.992 176.300 -0.035 0.000 1.220 4 R CA 0.905 56.990 56.100 -0.024 0.000 1.194 4 R CB -0.733 29.554 30.300 -0.022 0.000 0.892 4 R HN 0.551 nan 8.270 nan 0.000 0.481 5 S N -1.085 114.592 115.700 -0.039 0.000 2.554 5 S HA 0.404 4.874 4.470 -0.001 0.000 0.278 5 S C -0.722 173.851 174.600 -0.045 0.000 1.242 5 S CA -0.746 57.422 58.200 -0.054 0.000 1.051 5 S CB 1.052 64.219 63.200 -0.054 0.000 0.986 5 S HN 0.033 nan 8.310 nan 0.000 0.502 6 V N 5.248 125.131 119.914 -0.051 0.000 2.406 6 V HA 0.341 4.460 4.120 -0.001 0.000 0.272 6 V C 0.182 176.261 176.094 -0.024 0.000 1.043 6 V CA -0.383 61.902 62.300 -0.026 0.000 0.915 6 V CB 1.089 32.918 31.823 0.010 0.000 0.988 6 V HN 0.879 nan 8.190 nan 0.000 0.466 7 Q N 5.389 125.168 119.800 -0.035 0.000 2.340 7 Q HA 0.218 4.557 4.340 -0.001 0.000 0.259 7 Q C -0.811 175.175 176.000 -0.023 0.000 0.964 7 Q CA -0.417 55.371 55.803 -0.025 0.000 0.900 7 Q CB 0.934 29.647 28.738 -0.042 0.000 1.228 7 Q HN 0.790 nan 8.270 nan 0.000 0.449 8 W N 4.463 125.689 121.300 -0.124 0.000 2.251 8 W HA 0.410 5.070 4.660 0.000 0.000 0.329 8 W C -0.972 175.492 176.519 -0.092 0.000 1.234 8 W CA -0.904 56.394 57.345 -0.078 0.000 1.228 8 W CB 1.506 30.953 29.460 -0.021 0.000 1.135 8 W HN 0.650 nan 8.180 nan 0.000 0.576 9 c N 5.111 123.643 118.600 -0.113 0.000 2.322 9 c HA 0.807 5.376 4.570 -0.001 0.000 0.324 9 c C -0.041 174.109 174.090 0.100 0.000 1.284 9 c CA -0.298 55.996 56.329 -0.058 0.000 1.606 9 c CB -0.284 42.114 42.510 -0.188 0.000 2.251 9 c HN 0.619 nan 8.230 nan 0.000 0.502 10 A N 4.506 127.364 122.820 0.063 0.000 2.350 10 A HA 0.682 5.001 4.320 -0.001 0.000 0.324 10 A C 0.151 177.736 177.584 0.002 0.000 1.118 10 A CA -0.331 51.738 52.037 0.055 0.000 0.783 10 A CB 1.456 20.477 19.000 0.035 0.000 1.236 10 A HN 0.894 nan 8.150 nan 0.000 0.457 11 V N 1.331 121.242 119.914 -0.005 0.000 3.643 11 V HA 0.160 4.280 4.120 -0.001 0.000 0.280 11 V C 0.712 176.800 176.094 -0.010 0.000 1.351 11 V CA 1.515 63.797 62.300 -0.029 0.000 1.073 11 V CB 0.005 31.794 31.823 -0.058 0.000 0.863 11 V HN 1.088 nan 8.190 nan 0.000 0.436 12 S N -2.313 113.394 115.700 0.011 0.000 2.607 12 S HA 0.301 4.771 4.470 -0.001 0.000 0.273 12 S C 0.393 175.017 174.600 0.040 0.000 1.148 12 S CA -0.207 58.006 58.200 0.023 0.000 0.833 12 S CB 1.388 64.602 63.200 0.024 0.000 1.130 12 S HN 0.144 nan 8.310 nan 0.000 0.470 13 N N 0.965 119.693 118.700 0.047 0.000 2.142 13 N HA 0.023 4.762 4.740 -0.001 0.000 0.186 13 N C -1.153 174.404 175.510 0.078 0.000 1.023 13 N CA 0.803 53.895 53.050 0.069 0.000 0.852 13 N CB -0.661 37.862 38.487 0.061 0.000 0.998 13 N HN 0.468 nan 8.380 nan 0.000 0.424 14 P HA -0.167 nan 4.420 nan 0.000 0.215 14 P C 0.764 178.101 177.300 0.063 0.000 1.157 14 P CA 1.280 64.415 63.100 0.060 0.000 0.874 14 P CB 0.002 31.730 31.700 0.046 0.000 0.790 15 E N -0.724 119.505 120.200 0.049 0.000 2.077 15 E HA -0.158 4.192 4.350 -0.001 0.000 0.193 15 E C 2.076 178.692 176.600 0.026 0.000 0.989 15 E CA 1.232 57.653 56.400 0.034 0.000 0.800 15 E CB -0.486 29.230 29.700 0.027 0.000 0.746 15 E HN 0.129 nan 8.360 nan 0.000 0.452 16 A N 0.698 123.542 122.820 0.041 0.000 1.933 16 A HA -0.173 4.146 4.320 -0.001 0.000 0.218 16 A C 2.371 180.020 177.584 0.110 0.000 1.175 16 A CA 1.873 53.922 52.037 0.020 0.000 0.628 16 A CB -0.776 18.300 19.000 0.128 0.000 0.814 16 A HN 0.173 nan 8.150 nan 0.000 0.444 17 T N -0.569 114.098 114.554 0.188 0.000 2.708 17 T HA -0.137 4.213 4.350 -0.001 0.000 0.266 17 T C 2.019 176.828 174.700 0.182 0.000 1.037 17 T CA 1.759 63.996 62.100 0.228 0.000 1.146 17 T CB -0.168 68.788 68.868 0.147 0.000 0.865 17 T HN 0.620 nan 8.240 nan 0.000 0.435 18 K N 0.087 120.564 120.400 0.127 0.000 2.097 18 K HA -0.097 4.222 4.320 -0.001 0.000 0.206 18 K C 2.644 179.338 176.600 0.155 0.000 1.049 18 K CA 1.170 57.554 56.287 0.161 0.000 0.933 18 K CB -0.533 32.036 32.500 0.114 0.000 0.717 18 K HN 0.344 nan 8.250 nan 0.000 0.442 19 c N 0.477 119.103 118.600 0.043 0.000 2.413 19 c HA -0.125 4.445 4.570 -0.001 0.000 0.277 19 c C 2.315 176.352 174.090 -0.088 0.000 1.228 19 c CA 0.810 57.121 56.329 -0.030 0.000 1.731 19 c CB -1.246 41.117 42.510 -0.244 0.000 2.042 19 c HN 0.571 nan 8.230 nan 0.000 0.468 20 F N 0.800 120.771 119.950 0.035 0.000 2.161 20 F HA -0.141 4.385 4.527 -0.001 0.000 0.300 20 F C 2.611 178.359 175.800 -0.087 0.000 1.089 20 F CA 2.026 60.010 58.000 -0.026 0.000 1.282 20 F CB -0.989 38.002 39.000 -0.015 0.000 1.010 20 F HN 0.384 nan 8.300 nan 0.000 0.485 21 Q N -1.188 118.659 119.800 0.079 0.000 2.291 21 Q HA -0.216 4.123 4.340 -0.001 0.000 0.205 21 Q C 2.030 177.685 176.000 -0.575 0.000 0.970 21 Q CA 1.098 56.827 55.803 -0.124 0.000 0.876 21 Q CB -0.266 28.496 28.738 0.041 0.000 0.935 21 Q HN 0.543 nan 8.270 nan 0.000 0.455 22 W N 1.221 122.091 121.300 -0.717 0.000 2.452 22 W HA -0.127 4.533 4.660 -0.000 0.000 0.313 22 W C 2.072 178.241 176.519 -0.583 0.000 1.176 22 W CA 1.622 58.383 57.345 -0.973 0.000 1.350 22 W CB -0.893 28.300 29.460 -0.446 0.000 1.148 22 W HN 0.212 nan 8.180 nan 0.000 0.498 23 Q N 0.422 120.077 119.800 -0.242 0.000 2.082 23 Q HA -0.303 4.036 4.340 -0.001 0.000 0.211 23 Q C 2.335 178.223 176.000 -0.188 0.000 1.002 23 Q CA 2.939 58.592 55.803 -0.251 0.000 0.868 23 Q CB -0.360 28.311 28.738 -0.111 0.000 0.931 23 Q HN 0.265 nan 8.270 nan 0.000 0.414 24 R N -0.200 120.211 120.500 -0.149 0.000 2.066 24 R HA -0.041 4.298 4.340 -0.001 0.000 0.232 24 R C 2.179 178.382 176.300 -0.162 0.000 1.131 24 R CA 1.523 57.550 56.100 -0.122 0.000 0.955 24 R CB -0.225 30.021 30.300 -0.089 0.000 0.851 24 R HN 0.428 nan 8.270 nan 0.000 0.432 25 N N -0.116 118.397 118.700 -0.311 0.000 2.396 25 N HA -0.082 4.657 4.740 -0.001 0.000 0.180 25 N C 1.433 176.864 175.510 -0.132 0.000 1.028 25 N CA 0.838 53.697 53.050 -0.318 0.000 0.893 25 N CB 0.149 38.175 38.487 -0.769 0.000 0.967 25 N HN 0.185 nan 8.380 nan 0.000 0.440 26 M N 0.126 119.646 119.600 -0.134 0.000 2.388 26 M HA 0.006 4.485 4.480 -0.001 0.000 0.265 26 M C 2.044 178.349 176.300 0.007 0.000 1.088 26 M CA 0.660 55.972 55.300 0.019 0.000 1.134 26 M CB -0.667 31.868 32.600 -0.107 0.000 1.384 26 M HN 0.081 nan 8.290 nan 0.000 0.447 27 R N 0.523 120.997 120.500 -0.042 0.000 2.062 27 R HA -0.068 4.271 4.340 -0.001 0.000 0.229 27 R C 2.138 178.441 176.300 0.005 0.000 1.128 27 R CA 0.984 57.067 56.100 -0.028 0.000 0.960 27 R CB 0.079 30.354 30.300 -0.041 0.000 0.855 27 R HN 0.031 nan 8.270 nan 0.000 0.432 28 K N 0.301 120.709 120.400 0.013 0.000 2.360 28 K HA -0.072 4.248 4.320 -0.001 0.000 0.201 28 K C 1.181 177.825 176.600 0.073 0.000 1.046 28 K CA 0.876 57.188 56.287 0.042 0.000 0.940 28 K CB 0.240 32.770 32.500 0.049 0.000 0.748 28 K HN 0.149 nan 8.250 nan 0.000 0.465 29 V N -0.181 119.792 119.914 0.098 0.000 3.528 29 V HA 0.105 4.225 4.120 -0.001 0.000 0.294 29 V C 0.424 176.545 176.094 0.045 0.000 1.404 29 V CA -0.226 62.127 62.300 0.087 0.000 1.065 29 V CB -0.426 31.486 31.823 0.149 0.000 0.904 29 V HN 0.354 nan 8.190 nan 0.000 0.435 30 R N 0.777 121.298 120.500 0.035 0.000 3.205 30 R HA -0.161 4.179 4.340 -0.001 0.000 0.249 30 R C 0.323 176.630 176.300 0.013 0.000 0.937 30 R CA 0.593 56.701 56.100 0.014 0.000 0.641 30 R CB -1.196 29.109 30.300 0.009 0.000 1.114 30 R HN 0.601 nan 8.270 nan 0.000 0.451 31 G N 1.131 109.944 108.800 0.021 0.000 2.644 31 G HA2 0.683 4.642 3.960 -0.001 0.000 0.307 31 G HA3 0.683 4.642 3.960 -0.001 0.000 0.307 31 G C -2.725 172.170 174.900 -0.007 0.000 1.250 31 G CA -1.275 43.839 45.100 0.023 0.000 0.996 31 G HN 0.085 nan 8.290 nan 0.000 0.489 32 P HA 0.219 nan 4.420 nan 0.000 0.268 32 P C -2.352 174.886 177.300 -0.103 0.000 1.204 32 P CA -0.833 62.237 63.100 -0.050 0.000 0.768 32 P CB 0.499 32.174 31.700 -0.043 0.000 0.842 33 P HA 0.139 nan 4.420 nan 0.000 0.278 33 P C -0.979 176.189 177.300 -0.220 0.000 1.238 33 P CA -0.062 62.947 63.100 -0.153 0.000 0.794 33 P CB 0.947 32.587 31.700 -0.099 0.000 0.955 34 V N 1.922 121.648 119.914 -0.313 0.000 2.686 34 V HA 0.459 4.579 4.120 -0.001 0.000 0.306 34 V C -0.219 175.720 176.094 -0.258 0.000 1.065 34 V CA -0.352 61.723 62.300 -0.375 0.000 0.894 34 V CB 1.982 33.303 31.823 -0.837 0.000 1.004 34 V HN 0.810 nan 8.190 nan 0.000 0.424 35 S N 5.549 121.158 115.700 -0.153 0.000 2.758 35 S HA 0.837 5.307 4.470 -0.001 0.000 0.292 35 S C -0.396 174.133 174.600 -0.118 0.000 1.131 35 S CA -0.678 57.469 58.200 -0.088 0.000 0.997 35 S CB 1.742 64.922 63.200 -0.033 0.000 1.111 35 S HN 1.000 nan 8.310 nan 0.000 0.552 36 c N 0.813 119.326 118.600 -0.147 0.000 2.880 36 c HA 0.754 5.324 4.570 -0.001 0.000 0.320 36 c C -0.698 173.322 174.090 -0.118 0.000 1.176 36 c CA -0.768 55.420 56.329 -0.235 0.000 1.390 36 c CB 1.122 43.147 42.510 -0.807 0.000 1.846 36 c HN 0.884 nan 8.230 nan 0.000 0.478 37 I N 2.421 122.954 120.570 -0.061 0.000 2.969 37 I HA 0.647 4.816 4.170 -0.001 0.000 0.307 37 I C -1.231 174.885 176.117 -0.003 0.000 1.149 37 I CA -0.377 60.920 61.300 -0.004 0.000 1.008 37 I CB 2.119 40.112 38.000 -0.011 0.000 1.232 37 I HN 0.937 nan 8.210 nan 0.000 0.435 38 K N 6.099 126.513 120.400 0.023 0.000 2.371 38 K HA 0.655 4.975 4.320 -0.001 0.000 0.251 38 K C -1.367 175.236 176.600 0.005 0.000 0.934 38 K CA -0.619 55.681 56.287 0.021 0.000 0.798 38 K CB 2.101 34.636 32.500 0.057 0.000 1.204 38 K HN 0.599 nan 8.250 nan 0.000 0.427 39 R N 1.780 122.273 120.500 -0.013 0.000 2.869 39 R HA 0.239 4.578 4.340 -0.001 0.000 0.263 39 R C -0.526 175.758 176.300 -0.027 0.000 1.066 39 R CA -0.718 55.366 56.100 -0.027 0.000 0.960 39 R CB 1.104 31.372 30.300 -0.053 0.000 1.221 39 R HN 0.751 nan 8.270 nan 0.000 0.474 40 D N 0.143 120.525 120.400 -0.030 0.000 2.339 40 D HA 0.069 4.709 4.640 -0.001 0.000 0.217 40 D C 0.082 176.354 176.300 -0.048 0.000 1.050 40 D CA 0.579 54.563 54.000 -0.027 0.000 0.856 40 D CB 0.481 41.272 40.800 -0.014 0.000 0.922 40 D HN 0.468 nan 8.370 nan 0.000 0.518 41 S N -1.684 113.965 115.700 -0.086 0.000 2.595 41 S HA 0.323 4.792 4.470 -0.001 0.000 0.270 41 S C -2.645 171.813 174.600 -0.236 0.000 1.145 41 S CA -1.010 57.109 58.200 -0.136 0.000 0.825 41 S CB 2.117 65.260 63.200 -0.095 0.000 1.107 41 S HN -0.357 nan 8.310 nan 0.000 0.461 42 P HA -0.038 nan 4.420 nan 0.000 0.215 42 P C 1.467 178.474 177.300 -0.489 0.000 1.153 42 P CA 1.288 64.014 63.100 -0.622 0.000 0.853 42 P CB -0.393 30.476 31.700 -1.384 0.000 0.788 43 I N -1.693 118.655 120.570 -0.371 0.000 2.394 43 I HA -0.198 3.971 4.170 -0.001 0.000 0.251 43 I C 2.427 178.404 176.117 -0.234 0.000 1.136 43 I CA 1.411 62.574 61.300 -0.230 0.000 1.425 43 I CB -1.286 36.681 38.000 -0.054 0.000 1.079 43 I HN -0.101 nan 8.210 nan 0.000 0.425 44 Q N 0.373 120.069 119.800 -0.172 0.000 2.124 44 Q HA -0.179 4.160 4.340 -0.001 0.000 0.202 44 Q C 2.463 178.372 176.000 -0.152 0.000 0.977 44 Q CA 1.903 57.631 55.803 -0.126 0.000 0.850 44 Q CB -0.201 28.485 28.738 -0.086 0.000 0.901 44 Q HN 0.626 nan 8.270 nan 0.000 0.429 45 c N -0.343 118.143 118.600 -0.190 0.000 2.457 45 c HA -0.029 4.540 4.570 -0.001 0.000 0.278 45 c C 2.429 176.377 174.090 -0.237 0.000 1.309 45 c CA 0.180 56.392 56.329 -0.196 0.000 1.735 45 c CB -0.606 41.782 42.510 -0.205 0.000 1.992 45 c HN 0.478 nan 8.230 nan 0.000 0.493 46 I N 0.577 120.963 120.570 -0.307 0.000 2.252 46 I HA -0.252 3.918 4.170 -0.001 0.000 0.245 46 I C 2.651 178.530 176.117 -0.397 0.000 1.102 46 I CA 1.490 62.558 61.300 -0.388 0.000 1.385 46 I CB -0.495 37.193 38.000 -0.519 0.000 1.064 46 I HN 0.437 nan 8.210 nan 0.000 0.414 47 Q N 0.598 120.161 119.800 -0.394 0.000 2.030 47 Q HA -0.245 4.095 4.340 -0.001 0.000 0.204 47 Q C 2.504 178.460 176.000 -0.074 0.000 0.986 47 Q CA 1.875 57.583 55.803 -0.159 0.000 0.843 47 Q CB -0.443 28.260 28.738 -0.059 0.000 0.904 47 Q HN 0.593 nan 8.270 nan 0.000 0.420 48 A N 1.402 124.162 122.820 -0.100 0.000 1.859 48 A HA -0.261 4.059 4.320 -0.001 0.000 0.218 48 A C 2.110 179.647 177.584 -0.079 0.000 1.209 48 A CA 1.947 53.937 52.037 -0.078 0.000 0.639 48 A CB -1.075 17.869 19.000 -0.093 0.000 0.835 48 A HN 0.359 nan 8.150 nan 0.000 0.450 49 I N -0.230 120.272 120.570 -0.115 0.000 2.248 49 I HA -0.335 3.834 4.170 -0.001 0.000 0.248 49 I C 2.778 178.860 176.117 -0.059 0.000 1.107 49 I CA 1.332 62.567 61.300 -0.109 0.000 1.373 49 I CB -0.263 37.646 38.000 -0.152 0.000 1.055 49 I HN 0.383 nan 8.210 nan 0.000 0.418 50 A N -0.246 122.558 122.820 -0.025 0.000 2.119 50 A HA -0.093 4.227 4.320 -0.001 0.000 0.216 50 A C 1.933 179.533 177.584 0.026 0.000 1.152 50 A CA 1.070 53.128 52.037 0.035 0.000 0.708 50 A CB -0.337 18.760 19.000 0.162 0.000 0.805 50 A HN 0.460 nan 8.150 nan 0.000 0.460 51 E N -0.583 119.623 120.200 0.010 0.000 2.476 51 E HA 0.100 4.449 4.350 -0.001 0.000 0.196 51 E C -0.138 176.455 176.600 -0.011 0.000 1.029 51 E CA -0.320 56.084 56.400 0.006 0.000 0.896 51 E CB 0.124 29.832 29.700 0.012 0.000 1.012 51 E HN 0.473 nan 8.360 nan 0.000 0.475 52 N N 0.621 119.308 118.700 -0.023 0.000 2.850 52 N HA -0.207 4.532 4.740 -0.001 0.000 0.249 52 N C 0.341 175.830 175.510 -0.035 0.000 1.060 52 N CA 0.608 53.640 53.050 -0.031 0.000 0.825 52 N CB -0.624 37.849 38.487 -0.024 0.000 1.132 52 N HN 0.261 nan 8.380 nan 0.000 0.564 53 R N 0.000 120.478 120.500 -0.037 0.000 2.310 53 R HA 0.354 4.693 4.340 -0.001 0.000 0.202 53 R C 0.788 177.058 176.300 -0.051 0.000 0.933 53 R CA 1.019 57.098 56.100 -0.036 0.000 1.054 53 R CB 0.534 30.816 30.300 -0.030 0.000 0.985 53 R HN 0.271 nan 8.270 nan 0.000 0.489 54 A N -0.437 122.339 122.820 -0.073 0.000 2.581 54 A HA 0.386 4.705 4.320 -0.001 0.000 0.290 54 A C -1.044 176.462 177.584 -0.130 0.000 1.119 54 A CA -0.855 51.120 52.037 -0.103 0.000 0.670 54 A CB 1.338 20.262 19.000 -0.127 0.000 1.280 54 A HN -0.069 nan 8.150 nan 0.000 0.425 55 D N -0.649 119.645 120.400 -0.177 0.000 2.856 55 D HA 0.471 5.110 4.640 -0.001 0.000 0.283 55 D C 0.680 176.801 176.300 -0.298 0.000 1.051 55 D CA 1.534 55.422 54.000 -0.186 0.000 0.965 55 D CB 0.645 41.366 40.800 -0.132 0.000 1.201 55 D HN 0.863 nan 8.370 nan 0.000 0.474 56 A N 0.151 122.657 122.820 -0.522 0.000 2.479 56 A HA 0.740 5.060 4.320 -0.001 0.000 0.296 56 A C -1.388 175.527 177.584 -1.116 0.000 1.121 56 A CA -0.626 50.942 52.037 -0.783 0.000 0.743 56 A CB 2.313 20.717 19.000 -0.995 0.000 1.323 56 A HN -0.016 nan 8.150 nan 0.000 0.415 57 V N -0.017 119.400 119.914 -0.828 0.000 3.077 57 V HA 0.701 4.820 4.120 -0.001 0.000 0.299 57 V C -0.438 175.541 176.094 -0.191 0.000 1.276 57 V CA 0.357 62.334 62.300 -0.538 0.000 0.993 57 V CB 2.286 33.909 31.823 -0.334 0.000 1.076 57 V HN 1.630 nan 8.190 nan 0.000 0.434 58 T N 6.514 121.098 114.554 0.050 0.000 2.837 58 T HA 0.780 5.129 4.350 -0.001 0.000 0.285 58 T C -0.811 173.929 174.700 0.067 0.000 0.984 58 T CA -0.325 61.869 62.100 0.157 0.000 1.049 58 T CB 0.777 69.867 68.868 0.371 0.000 0.947 58 T HN 0.645 nan 8.240 nan 0.000 0.472 59 L N 3.372 124.636 121.223 0.068 0.000 2.350 59 L HA 0.559 4.898 4.340 -0.001 0.000 0.260 59 L C -0.207 176.642 176.870 -0.036 0.000 1.015 59 L CA -1.398 53.450 54.840 0.013 0.000 0.821 59 L CB 2.124 44.223 42.059 0.067 0.000 1.370 59 L HN 0.767 nan 8.230 nan 0.000 0.416 60 D N 0.367 120.693 120.400 -0.123 0.000 2.348 60 D HA 0.131 4.771 4.640 -0.001 0.000 0.249 60 D C 1.118 177.531 176.300 0.189 0.000 1.110 60 D CA -0.188 53.742 54.000 -0.116 0.000 0.967 60 D CB 1.613 42.331 40.800 -0.138 0.000 1.139 60 D HN 0.583 nan 8.370 nan 0.000 0.466 61 G N 0.342 109.317 108.800 0.291 0.000 2.507 61 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.221 61 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.221 61 G C 1.348 176.301 174.900 0.087 0.000 1.119 61 G CA 0.971 46.192 45.100 0.202 0.000 0.751 61 G HN 0.660 nan 8.290 nan 0.000 0.574 62 G N -0.308 108.553 108.800 0.103 0.000 2.448 62 G HA2 0.014 3.973 3.960 -0.001 0.000 0.218 62 G HA3 0.014 3.973 3.960 -0.001 0.000 0.218 62 G C 1.453 176.282 174.900 -0.118 0.000 1.135 62 G CA 0.387 45.461 45.100 -0.045 0.000 0.784 62 G HN 0.355 nan 8.290 nan 0.000 0.543 63 F N 0.302 120.317 119.950 0.107 0.000 2.473 63 F HA 0.327 4.854 4.527 -0.002 0.000 0.294 63 F C 2.385 178.220 175.800 0.059 0.000 1.103 63 F CA -0.194 57.845 58.000 0.066 0.000 1.442 63 F CB -0.041 38.963 39.000 0.006 0.000 1.097 63 F HN 0.032 nan 8.300 nan 0.000 0.547 64 I N -1.160 119.533 120.570 0.204 0.000 2.286 64 I HA -0.349 3.820 4.170 -0.001 0.000 0.248 64 I C 2.370 178.568 176.117 0.135 0.000 1.115 64 I CA 1.343 62.720 61.300 0.128 0.000 1.392 64 I CB -0.414 37.657 38.000 0.117 0.000 1.065 64 I HN 0.127 nan 8.210 nan 0.000 0.418 65 Y N 1.955 122.290 120.300 0.060 0.000 2.070 65 Y HA -0.299 4.250 4.550 -0.001 0.000 0.280 65 Y C 2.558 178.530 175.900 0.119 0.000 1.148 65 Y CA 1.777 59.936 58.100 0.098 0.000 1.125 65 Y CB -0.202 38.284 38.460 0.043 0.000 0.975 65 Y HN 0.082 nan 8.280 nan 0.000 0.492 66 E N 0.411 120.688 120.200 0.129 0.000 2.118 66 E HA -0.237 4.113 4.350 -0.001 0.000 0.195 66 E C 2.357 179.039 176.600 0.137 0.000 0.992 66 E CA 1.246 57.713 56.400 0.113 0.000 0.804 66 E CB -0.739 29.101 29.700 0.233 0.000 0.741 66 E HN 0.609 nan 8.360 nan 0.000 0.458 67 A N 0.810 123.700 122.820 0.117 0.000 1.969 67 A HA -0.021 4.299 4.320 -0.001 0.000 0.218 67 A C 2.425 180.060 177.584 0.085 0.000 1.169 67 A CA 1.618 53.708 52.037 0.088 0.000 0.635 67 A CB -0.733 18.278 19.000 0.019 0.000 0.810 67 A HN 0.322 nan 8.150 nan 0.000 0.445 68 G N -0.628 108.174 108.800 0.003 0.000 2.511 68 G HA2 0.196 4.155 3.960 -0.001 0.000 0.217 68 G HA3 0.196 4.155 3.960 -0.001 0.000 0.217 68 G C 0.759 175.629 174.900 -0.050 0.000 1.133 68 G CA 0.017 45.098 45.100 -0.032 0.000 0.792 68 G HN 0.413 nan 8.290 nan 0.000 0.539 69 L N 0.421 121.596 121.223 -0.080 0.000 2.476 69 L HA 0.470 4.810 4.340 -0.001 0.000 0.255 69 L C 0.960 177.766 176.870 -0.107 0.000 1.218 69 L CA -0.745 54.030 54.840 -0.108 0.000 0.819 69 L CB 0.569 42.542 42.059 -0.143 0.000 1.119 69 L HN 0.107 nan 8.230 nan 0.000 0.485 70 A N 1.242 123.970 122.820 -0.153 0.000 2.340 70 A HA 0.473 4.793 4.320 -0.001 0.000 0.268 70 A C -1.779 175.574 177.584 -0.385 0.000 1.100 70 A CA -1.080 50.829 52.037 -0.214 0.000 0.803 70 A CB 0.034 18.944 19.000 -0.151 0.000 1.043 70 A HN 0.624 nan 8.150 nan 0.000 0.488 71 P HA 0.108 nan 4.420 nan 0.000 0.257 71 P C -0.042 176.988 177.300 -0.451 0.000 1.281 71 P CA 0.569 63.360 63.100 -0.514 0.000 0.826 71 P CB -0.030 31.409 31.700 -0.436 0.000 1.237 72 Y N 1.039 121.316 120.300 -0.039 0.000 2.205 72 Y HA 0.135 4.684 4.550 -0.001 0.000 0.292 72 Y C 1.229 177.098 175.900 -0.052 0.000 1.119 72 Y CA -0.091 57.983 58.100 -0.044 0.000 1.117 72 Y CB -0.984 37.452 38.460 -0.040 0.000 1.037 72 Y HN -0.176 nan 8.280 nan 0.000 0.510 73 K N 0.795 121.250 120.400 0.092 0.000 3.244 73 K HA -0.188 4.132 4.320 -0.001 0.000 0.270 73 K C -0.776 175.834 176.600 0.017 0.000 1.016 73 K CA 0.235 56.534 56.287 0.019 0.000 0.754 73 K CB -2.441 30.049 32.500 -0.017 0.000 1.326 73 K HN 0.308 nan 8.250 nan 0.000 0.465 74 L N -0.026 121.213 121.223 0.027 0.000 2.431 74 L HA 0.500 4.840 4.340 -0.001 0.000 0.260 74 L C 0.686 177.528 176.870 -0.048 0.000 1.098 74 L CA -0.887 53.940 54.840 -0.023 0.000 0.800 74 L CB 0.897 42.931 42.059 -0.043 0.000 1.210 74 L HN 0.252 nan 8.230 nan 0.000 0.465 75 R N 1.086 121.542 120.500 -0.073 0.000 2.686 75 R HA 0.489 4.828 4.340 -0.001 0.000 0.283 75 R C -2.818 173.402 176.300 -0.133 0.000 0.978 75 R CA -1.753 54.288 56.100 -0.098 0.000 0.897 75 R CB 2.404 32.651 30.300 -0.089 0.000 1.192 75 R HN 0.210 nan 8.270 nan 0.000 0.457 76 P HA 0.014 nan 4.420 nan 0.000 0.276 76 P C 0.134 177.321 177.300 -0.189 0.000 1.235 76 P CA -0.267 62.667 63.100 -0.278 0.000 0.772 76 P CB 1.406 32.724 31.700 -0.637 0.000 0.871 77 V N 0.711 120.555 119.914 -0.118 0.000 3.539 77 V HA 0.707 4.826 4.120 -0.001 0.000 0.262 77 V C 0.204 176.294 176.094 -0.006 0.000 1.381 77 V CA 0.579 62.835 62.300 -0.074 0.000 1.060 77 V CB -0.103 31.695 31.823 -0.041 0.000 0.842 77 V HN 0.514 nan 8.190 nan 0.000 0.445 78 A N 0.298 123.170 122.820 0.086 0.000 2.488 78 A HA 0.952 5.271 4.320 -0.001 0.000 0.298 78 A C -0.484 177.304 177.584 0.339 0.000 1.044 78 A CA -0.007 52.184 52.037 0.256 0.000 0.693 78 A CB 1.581 20.813 19.000 0.387 0.000 1.272 78 A HN 1.501 nan 8.150 nan 0.000 0.402 79 A N 1.505 124.584 122.820 0.433 0.000 2.340 79 A HA 0.726 5.045 4.320 -0.001 0.000 0.331 79 A C -0.190 177.629 177.584 0.392 0.000 1.140 79 A CA -0.514 51.783 52.037 0.433 0.000 0.801 79 A CB 0.533 19.825 19.000 0.487 0.000 1.234 79 A HN 0.812 nan 8.150 nan 0.000 0.469 80 E N 0.436 120.777 120.200 0.234 0.000 2.360 80 E HA 0.378 4.728 4.350 -0.001 0.000 0.269 80 E C -0.887 175.392 176.600 -0.534 0.000 1.022 80 E CA -0.110 56.212 56.400 -0.131 0.000 0.887 80 E CB 1.154 30.727 29.700 -0.212 0.000 0.990 80 E HN 0.366 nan 8.360 nan 0.000 0.426 81 V N 4.689 124.270 119.914 -0.555 0.000 2.398 81 V HA 0.255 4.375 4.120 -0.001 0.000 0.286 81 V C -0.744 175.053 176.094 -0.495 0.000 1.026 81 V CA -0.644 61.358 62.300 -0.497 0.000 0.868 81 V CB 0.159 31.819 31.823 -0.270 0.000 0.982 81 V HN 0.525 nan 8.190 nan 0.000 0.443 82 Y N 1.979 122.163 120.300 -0.192 0.000 2.699 82 Y HA 0.902 5.450 4.550 -0.003 0.000 0.326 82 Y C 1.072 176.876 175.900 -0.160 0.000 1.141 82 Y CA -0.253 57.734 58.100 -0.188 0.000 1.246 82 Y CB 0.974 39.351 38.460 -0.138 0.000 1.426 82 Y HN 0.901 nan 8.280 nan 0.000 0.559 83 G N 0.166 109.003 108.800 0.062 0.000 2.520 83 G HA2 0.020 3.980 3.960 -0.001 0.000 0.248 83 G HA3 0.020 3.980 3.960 -0.001 0.000 0.248 83 G C -0.358 174.515 174.900 -0.045 0.000 1.161 83 G CA -0.154 44.937 45.100 -0.015 0.000 0.946 83 G HN 1.349 nan 8.290 nan 0.000 0.565 84 T N -1.900 112.624 114.554 -0.049 0.000 2.916 84 T HA 0.603 4.952 4.350 -0.001 0.000 0.305 84 T C -0.422 174.248 174.700 -0.050 0.000 1.119 84 T CA 0.562 62.632 62.100 -0.051 0.000 1.008 84 T CB 2.267 71.112 68.868 -0.039 0.000 1.129 84 T HN 1.145 nan 8.240 nan 0.000 0.480 85 E N 1.721 121.892 120.200 -0.048 0.000 2.328 85 E HA 0.176 4.525 4.350 -0.001 0.000 0.265 85 E C 0.424 177.006 176.600 -0.029 0.000 1.057 85 E CA 0.212 56.589 56.400 -0.039 0.000 0.916 85 E CB 0.271 29.953 29.700 -0.029 0.000 0.993 85 E HN 0.862 nan 8.360 nan 0.000 0.446 86 R N 2.556 123.039 120.500 -0.028 0.000 2.325 86 R HA -0.145 4.195 4.340 -0.001 0.000 0.406 86 R C 0.466 176.749 176.300 -0.027 0.000 0.299 86 R CA 1.179 57.266 56.100 -0.022 0.000 1.411 86 R CB -1.102 29.188 30.300 -0.017 0.000 1.906 86 R HN 0.520 nan 8.270 nan 0.000 0.236 87 Q N 0.159 119.938 119.800 -0.035 0.000 2.088 87 Q HA 0.319 4.659 4.340 -0.001 0.000 0.270 87 Q C -2.622 173.347 176.000 -0.051 0.000 0.854 87 Q CA -1.408 54.372 55.803 -0.040 0.000 1.104 87 Q CB 1.036 29.753 28.738 -0.036 0.000 1.251 87 Q HN 0.073 nan 8.270 nan 0.000 0.436 88 P HA 0.035 nan 4.420 nan 0.000 0.266 88 P C -0.912 176.320 177.300 -0.112 0.000 1.215 88 P CA 0.444 63.492 63.100 -0.086 0.000 0.763 88 P CB 0.446 32.093 31.700 -0.089 0.000 0.806 89 R N 2.268 122.701 120.500 -0.111 0.000 2.387 89 R HA 0.356 4.695 4.340 -0.001 0.000 0.314 89 R C 0.474 176.639 176.300 -0.225 0.000 0.958 89 R CA -0.405 55.612 56.100 -0.138 0.000 0.846 89 R CB 0.846 31.135 30.300 -0.017 0.000 1.147 89 R HN 0.379 nan 8.270 nan 0.000 0.447 90 T N -1.269 113.042 114.554 -0.404 0.000 3.054 90 T HA 0.132 4.482 4.350 -0.001 0.000 0.255 90 T C 0.491 175.002 174.700 -0.315 0.000 1.035 90 T CA -0.040 61.806 62.100 -0.423 0.000 0.941 90 T CB -0.280 68.272 68.868 -0.527 0.000 1.026 90 T HN 0.860 nan 8.240 nan 0.000 0.533 91 H N -1.122 117.851 119.070 -0.163 0.000 2.868 91 H HA 0.473 5.030 4.556 0.002 0.000 0.278 91 H C -1.933 173.275 175.328 -0.199 0.000 1.454 91 H CA -1.464 54.443 56.048 -0.236 0.000 1.145 91 H CB 0.432 29.934 29.762 -0.433 0.000 1.808 91 H HN 0.161 nan 8.280 nan 0.000 0.500 92 Y N -0.819 119.397 120.300 -0.140 0.000 2.644 92 Y HA 0.658 5.207 4.550 -0.002 0.000 0.338 92 Y C -2.218 173.327 175.900 -0.592 0.000 1.119 92 Y CA -1.501 56.420 58.100 -0.298 0.000 1.060 92 Y CB 0.993 39.342 38.460 -0.186 0.000 1.294 92 Y HN 0.590 nan 8.280 nan 0.000 0.472 93 Y N 1.169 121.425 120.300 -0.075 0.000 2.360 93 Y HA 0.728 5.277 4.550 -0.002 0.000 0.337 93 Y C 0.099 176.009 175.900 0.016 0.000 1.039 93 Y CA -0.962 57.031 58.100 -0.179 0.000 1.109 93 Y CB 2.050 40.429 38.460 -0.135 0.000 1.201 93 Y HN 0.900 nan 8.280 nan 0.000 0.458 94 A N 3.597 126.478 122.820 0.101 0.000 2.343 94 A HA 0.587 4.906 4.320 -0.001 0.000 0.305 94 A C -0.307 177.394 177.584 0.195 0.000 1.308 94 A CA -0.478 51.646 52.037 0.146 0.000 0.949 94 A CB -0.731 18.296 19.000 0.045 0.000 1.148 94 A HN 0.676 nan 8.150 nan 0.000 0.545 95 V N -0.168 119.861 119.914 0.192 0.000 2.994 95 V HA 0.939 5.058 4.120 -0.001 0.000 0.318 95 V C 0.128 176.334 176.094 0.187 0.000 1.085 95 V CA -0.526 61.885 62.300 0.185 0.000 0.998 95 V CB 1.723 33.624 31.823 0.130 0.000 1.063 95 V HN 1.345 nan 8.190 nan 0.000 0.447 96 A N 2.974 125.896 122.820 0.169 0.000 2.399 96 A HA 0.748 5.067 4.320 -0.001 0.000 0.327 96 A C -0.449 177.139 177.584 0.007 0.000 1.367 96 A CA -0.526 51.578 52.037 0.111 0.000 0.842 96 A CB 0.386 19.513 19.000 0.211 0.000 1.142 96 A HN 1.261 nan 8.150 nan 0.000 0.495 97 V N 3.233 123.111 119.914 -0.059 0.000 2.432 97 V HA 0.579 4.698 4.120 -0.001 0.000 0.275 97 V C 0.407 176.515 176.094 0.024 0.000 1.043 97 V CA -0.433 61.852 62.300 -0.024 0.000 0.925 97 V CB 0.776 32.530 31.823 -0.115 0.000 0.985 97 V HN 0.880 nan 8.190 nan 0.000 0.466 98 V N 2.076 122.050 119.914 0.099 0.000 3.001 98 V HA 0.739 4.858 4.120 -0.001 0.000 0.314 98 V C -0.464 175.737 176.094 0.178 0.000 1.099 98 V CA -1.214 61.172 62.300 0.144 0.000 0.989 98 V CB 1.985 33.857 31.823 0.082 0.000 1.040 98 V HN 0.898 nan 8.190 nan 0.000 0.434 99 K N 1.069 121.554 120.400 0.143 0.000 2.087 99 K HA 0.516 4.836 4.320 -0.001 0.000 0.255 99 K C -0.355 176.198 176.600 -0.078 0.000 0.988 99 K CA -0.952 55.333 56.287 -0.004 0.000 0.915 99 K CB 0.956 33.391 32.500 -0.109 0.000 1.043 99 K HN 0.509 nan 8.250 nan 0.000 0.457 100 K N 1.372 121.677 120.400 -0.157 0.000 2.466 100 K HA -0.005 4.314 4.320 -0.001 0.000 0.278 100 K C 0.060 176.602 176.600 -0.098 0.000 1.048 100 K CA 1.334 57.545 56.287 -0.128 0.000 1.088 100 K CB -0.516 31.899 32.500 -0.143 0.000 0.884 100 K HN 0.914 nan 8.250 nan 0.000 0.478 101 G N 2.263 111.007 108.800 -0.093 0.000 2.858 101 G HA2 0.053 4.012 3.960 -0.001 0.000 0.272 101 G HA3 0.053 4.012 3.960 -0.001 0.000 0.272 101 G C -0.057 174.807 174.900 -0.060 0.000 1.003 101 G CA -0.339 44.719 45.100 -0.071 0.000 1.241 101 G HN 0.890 nan 8.290 nan 0.000 0.569 102 G N -0.763 107.966 108.800 -0.118 0.000 2.660 102 G HA2 0.880 4.840 3.960 -0.001 0.000 0.290 102 G HA3 0.880 4.840 3.960 -0.001 0.000 0.290 102 G C 0.442 175.246 174.900 -0.160 0.000 1.432 102 G CA 0.449 45.478 45.100 -0.117 0.000 0.807 102 G HN 1.761 nan 8.290 nan 0.000 0.485 103 S N -1.120 114.533 115.700 -0.079 0.000 2.819 103 S HA 0.394 4.863 4.470 -0.001 0.000 0.249 103 S C 0.055 174.657 174.600 0.003 0.000 1.030 103 S CA -0.509 57.667 58.200 -0.041 0.000 1.052 103 S CB -0.454 62.758 63.200 0.021 0.000 1.017 103 S HN 0.990 nan 8.310 nan 0.000 0.576 104 F N 1.517 121.468 119.950 0.001 0.000 2.399 104 F HA 0.870 5.397 4.527 -0.001 0.000 0.334 104 F C -0.003 175.808 175.800 0.019 0.000 1.097 104 F CA -0.903 57.099 58.000 0.005 0.000 1.076 104 F CB 0.699 39.703 39.000 0.006 0.000 1.162 104 F HN -0.099 nan 8.300 nan 0.000 0.495 105 Q N 2.590 122.461 119.800 0.118 0.000 2.433 105 Q HA 0.304 4.643 4.340 -0.001 0.000 0.279 105 Q C 0.735 176.849 176.000 0.190 0.000 1.105 105 Q CA -0.956 54.895 55.803 0.080 0.000 0.815 105 Q CB 2.464 31.228 28.738 0.044 0.000 1.403 105 Q HN 0.923 nan 8.270 nan 0.000 0.435 106 L N 2.656 123.987 121.223 0.179 0.000 2.064 106 L HA -0.318 4.021 4.340 -0.001 0.000 0.216 106 L C 1.556 178.556 176.870 0.217 0.000 1.077 106 L CA 2.723 57.711 54.840 0.245 0.000 0.766 106 L CB -0.631 41.562 42.059 0.222 0.000 0.890 106 L HN 0.845 nan 8.230 nan 0.000 0.435 107 N N -1.457 117.311 118.700 0.113 0.000 2.443 107 N HA -0.185 4.554 4.740 -0.001 0.000 0.184 107 N C 0.958 176.342 175.510 -0.211 0.000 1.037 107 N CA 1.314 54.296 53.050 -0.114 0.000 0.896 107 N CB -0.272 38.170 38.487 -0.075 0.000 0.959 107 N HN 0.504 nan 8.380 nan 0.000 0.442 108 E N -0.499 119.700 120.200 -0.003 0.000 2.736 108 E HA 0.141 4.490 4.350 -0.001 0.000 0.208 108 E C 0.211 176.826 176.600 0.024 0.000 0.996 108 E CA -0.312 56.084 56.400 -0.006 0.000 1.104 108 E CB 0.389 30.131 29.700 0.070 0.000 1.111 108 E HN 0.161 nan 8.360 nan 0.000 0.455 109 L N 0.803 122.096 121.223 0.116 0.000 2.362 109 L HA -0.057 4.282 4.340 -0.001 0.000 0.219 109 L C 1.050 177.711 176.870 -0.349 0.000 1.134 109 L CA 1.317 56.221 54.840 0.107 0.000 0.807 109 L CB -0.509 41.850 42.059 0.499 0.000 0.927 109 L HN 0.287 nan 8.230 nan 0.000 0.447 110 Q N 0.286 119.665 119.800 -0.703 0.000 2.687 110 Q HA -0.017 4.322 4.340 -0.001 0.000 0.341 110 Q C 1.325 176.938 176.000 -0.644 0.000 1.074 110 Q CA 1.245 56.356 55.803 -1.153 0.000 1.115 110 Q CB -0.167 28.180 28.738 -0.653 0.000 0.996 110 Q HN 0.584 nan 8.270 nan 0.000 0.397 111 G N 2.574 111.007 108.800 -0.612 0.000 2.205 111 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.261 111 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.261 111 G C 0.384 175.191 174.900 -0.156 0.000 0.980 111 G CA 0.314 45.246 45.100 -0.278 0.000 0.632 111 G HN 0.495 nan 8.290 nan 0.000 0.533 112 L N -0.574 120.562 121.223 -0.146 0.000 2.540 112 L HA 0.538 4.878 4.340 -0.001 0.000 0.215 112 L C 0.866 177.816 176.870 0.133 0.000 1.204 112 L CA -0.287 54.513 54.840 -0.067 0.000 0.841 112 L CB 0.311 42.244 42.059 -0.210 0.000 1.420 112 L HN 0.060 nan 8.230 nan 0.000 0.519 113 K N 0.047 120.469 120.400 0.036 0.000 2.292 113 K HA 0.358 4.678 4.320 -0.001 0.000 0.257 113 K C -0.973 175.559 176.600 -0.114 0.000 0.940 113 K CA -0.395 55.904 56.287 0.019 0.000 0.811 113 K CB 1.891 34.386 32.500 -0.008 0.000 1.120 113 K HN 0.592 nan 8.250 nan 0.000 0.428 114 S N 0.442 116.004 115.700 -0.229 0.000 2.532 114 S HA 0.580 5.050 4.470 -0.001 0.000 0.301 114 S C -0.466 174.042 174.600 -0.153 0.000 1.083 114 S CA -0.854 57.091 58.200 -0.424 0.000 1.025 114 S CB 0.957 63.562 63.200 -0.991 0.000 1.056 114 S HN 0.603 nan 8.310 nan 0.000 0.494 115 c N 3.575 122.030 118.600 -0.242 0.000 2.316 115 c HA 0.605 5.174 4.570 -0.001 0.000 0.324 115 c C -0.032 174.008 174.090 -0.085 0.000 1.226 115 c CA -0.681 55.593 56.329 -0.091 0.000 1.450 115 c CB -0.914 41.495 42.510 -0.167 0.000 2.123 115 c HN 0.892 nan 8.230 nan 0.000 0.454 116 H N 0.984 120.105 119.070 0.085 0.000 2.573 116 H HA 0.272 4.827 4.556 -0.001 0.000 0.351 116 H C 1.111 176.453 175.328 0.023 0.000 1.163 116 H CA 0.002 56.144 56.048 0.156 0.000 1.205 116 H CB 2.033 31.937 29.762 0.237 0.000 1.605 116 H HN 0.685 nan 8.280 nan 0.000 0.525 117 T N -0.295 114.300 114.554 0.068 0.000 2.867 117 T HA 0.119 4.468 4.350 -0.001 0.000 0.268 117 T C 0.984 175.516 174.700 -0.280 0.000 1.057 117 T CA 0.672 62.638 62.100 -0.224 0.000 1.136 117 T CB 0.133 68.731 68.868 -0.450 0.000 0.874 117 T HN 0.819 nan 8.240 nan 0.000 0.466 118 G N 0.302 109.057 108.800 -0.074 0.000 2.376 118 G HA2 0.393 4.353 3.960 -0.001 0.000 0.302 118 G HA3 0.393 4.353 3.960 -0.001 0.000 0.302 118 G C -1.530 173.379 174.900 0.015 0.000 1.586 118 G CA -0.864 44.188 45.100 -0.080 0.000 0.907 118 G HN 0.455 nan 8.290 nan 0.000 0.655 119 L N 1.029 122.215 121.223 -0.060 0.000 2.559 119 L HA 0.511 4.851 4.340 -0.001 0.000 0.274 119 L C 1.539 178.234 176.870 -0.292 0.000 1.205 119 L CA 0.990 55.518 54.840 -0.521 0.000 0.907 119 L CB 0.021 41.792 42.059 -0.479 0.000 1.153 119 L HN 0.890 nan 8.230 nan 0.000 0.490 120 R N 1.401 121.545 120.500 -0.594 0.000 3.951 120 R HA -0.184 4.155 4.340 -0.001 0.000 0.352 120 R C -0.254 176.104 176.300 0.097 0.000 1.178 120 R CA 1.264 57.281 56.100 -0.140 0.000 0.949 120 R CB -1.181 29.035 30.300 -0.140 0.000 1.452 120 R HN 0.691 nan 8.270 nan 0.000 0.540 121 R N -0.761 119.834 120.500 0.158 0.000 2.577 121 R HA 0.245 4.585 4.340 -0.001 0.000 0.269 121 R C 1.108 177.514 176.300 0.178 0.000 1.084 121 R CA 0.105 56.303 56.100 0.164 0.000 1.163 121 R CB 0.431 30.781 30.300 0.083 0.000 1.100 121 R HN -0.007 nan 8.270 nan 0.000 0.547 122 T N 1.326 115.974 114.554 0.156 0.000 2.590 122 T HA -0.180 4.170 4.350 -0.001 0.000 0.257 122 T C 1.908 176.646 174.700 0.063 0.000 1.080 122 T CA 1.734 63.889 62.100 0.093 0.000 1.180 122 T CB -0.321 68.597 68.868 0.084 0.000 0.865 122 T HN 0.731 nan 8.240 nan 0.000 0.403 123 A N 1.248 124.159 122.820 0.152 0.000 1.898 123 A HA 0.155 4.475 4.320 -0.001 0.000 0.216 123 A C 2.541 180.216 177.584 0.152 0.000 1.181 123 A CA 1.779 53.919 52.037 0.172 0.000 0.620 123 A CB -1.270 17.940 19.000 0.350 0.000 0.819 123 A HN 0.547 nan 8.150 nan 0.000 0.442 124 G N -3.244 105.650 108.800 0.157 0.000 2.650 124 G HA2 -0.005 3.955 3.960 -0.001 0.000 0.214 124 G HA3 -0.005 3.955 3.960 -0.001 0.000 0.214 124 G C 1.119 176.252 174.900 0.390 0.000 1.136 124 G CA 0.912 46.151 45.100 0.231 0.000 0.789 124 G HN 0.661 nan 8.290 nan 0.000 0.536 125 W N -0.705 120.604 121.300 0.015 0.000 5.194 125 W HA 0.058 4.717 4.660 -0.002 0.000 0.169 125 W C 1.246 177.708 176.519 -0.095 0.000 1.110 125 W CA 0.115 57.444 57.345 -0.027 0.000 1.861 125 W CB -0.265 29.180 29.460 -0.026 0.000 0.573 125 W HN 0.028 nan 8.180 nan 0.000 1.069 126 N N 1.576 120.363 118.700 0.145 0.000 2.025 126 N HA -0.161 4.578 4.740 -0.001 0.000 0.194 126 N C 1.606 177.032 175.510 -0.139 0.000 1.044 126 N CA 2.431 55.483 53.050 0.004 0.000 0.851 126 N CB -0.912 37.634 38.487 0.099 0.000 1.036 126 N HN -0.016 nan 8.380 nan 0.000 0.422 127 V N 2.628 122.462 119.914 -0.133 0.000 2.214 127 V HA -0.177 3.943 4.120 -0.001 0.000 0.245 127 V C -0.659 175.306 176.094 -0.215 0.000 1.047 127 V CA 2.013 64.217 62.300 -0.161 0.000 0.998 127 V CB -1.589 30.128 31.823 -0.176 0.000 0.633 127 V HN 0.254 nan 8.190 nan 0.000 0.446 128 P HA -0.175 nan 4.420 nan 0.000 0.215 128 P C 1.814 178.825 177.300 -0.482 0.000 1.163 128 P CA 1.805 64.591 63.100 -0.523 0.000 0.894 128 P CB -0.173 30.779 31.700 -1.248 0.000 0.791 129 I N -0.752 119.461 120.570 -0.594 0.000 2.394 129 I HA -0.098 4.071 4.170 -0.001 0.000 0.251 129 I C 2.511 178.362 176.117 -0.444 0.000 1.136 129 I CA 1.810 62.724 61.300 -0.643 0.000 1.425 129 I CB -2.103 35.189 38.000 -1.180 0.000 1.079 129 I HN 0.030 nan 8.210 nan 0.000 0.425 130 G N 0.427 109.022 108.800 -0.343 0.000 2.402 130 G HA2 -0.198 3.762 3.960 -0.001 0.000 0.216 130 G HA3 -0.198 3.762 3.960 -0.001 0.000 0.216 130 G C 1.678 176.458 174.900 -0.200 0.000 1.162 130 G CA 1.147 46.112 45.100 -0.225 0.000 0.777 130 G HN 0.293 nan 8.290 nan 0.000 0.539 131 T N 1.563 116.007 114.554 -0.183 0.000 2.684 131 T HA -0.064 4.285 4.350 -0.001 0.000 0.267 131 T C 2.244 176.832 174.700 -0.187 0.000 1.036 131 T CA 0.949 62.968 62.100 -0.135 0.000 1.148 131 T CB -0.204 68.624 68.868 -0.068 0.000 0.863 131 T HN 0.159 nan 8.240 nan 0.000 0.436 132 L N 0.925 122.015 121.223 -0.221 0.000 2.554 132 L HA 0.151 4.490 4.340 -0.001 0.000 0.226 132 L C 2.596 179.229 176.870 -0.395 0.000 1.137 132 L CA 0.036 54.717 54.840 -0.266 0.000 0.863 132 L CB -0.498 41.400 42.059 -0.269 0.000 0.985 132 L HN 0.073 nan 8.230 nan 0.000 0.451 133 R N 2.179 122.483 120.500 -0.327 0.000 2.134 133 R HA -0.180 4.160 4.340 -0.001 0.000 0.248 133 R C -0.647 175.493 176.300 -0.266 0.000 1.143 133 R CA 2.158 58.120 56.100 -0.231 0.000 0.957 133 R CB -2.017 28.209 30.300 -0.124 0.000 0.867 133 R HN 0.198 nan 8.270 nan 0.000 0.441 134 P HA -0.154 nan 4.420 nan 0.000 0.217 134 P C 1.006 178.074 177.300 -0.387 0.000 1.151 134 P CA 1.456 64.241 63.100 -0.525 0.000 0.849 134 P CB -0.306 30.888 31.700 -0.843 0.000 0.787 135 F N -1.532 118.356 119.950 -0.102 0.000 2.664 135 F HA 0.131 4.657 4.527 -0.001 0.000 0.296 135 F C 2.206 177.946 175.800 -0.100 0.000 1.125 135 F CA -0.049 57.908 58.000 -0.072 0.000 1.444 135 F CB -1.418 37.523 39.000 -0.098 0.000 1.114 135 F HN -0.186 nan 8.300 nan 0.000 0.576 136 L N -0.009 121.175 121.223 -0.065 0.000 2.456 136 L HA -0.157 4.182 4.340 -0.001 0.000 0.224 136 L C 0.786 177.729 176.870 0.123 0.000 1.148 136 L CA 0.644 55.453 54.840 -0.052 0.000 0.825 136 L CB -0.580 41.385 42.059 -0.156 0.000 0.937 136 L HN 0.220 nan 8.230 nan 0.000 0.450 137 N N -2.752 116.032 118.700 0.140 0.000 2.955 137 N HA -0.236 4.503 4.740 -0.001 0.000 0.230 137 N C -0.156 175.457 175.510 0.171 0.000 0.891 137 N CA 1.052 54.186 53.050 0.141 0.000 1.002 137 N CB -1.351 37.224 38.487 0.148 0.000 1.063 137 N HN 0.464 nan 8.380 nan 0.000 0.601 138 W N 3.448 124.740 121.300 -0.013 0.000 2.692 138 W HA 0.221 4.880 4.660 -0.001 0.000 0.339 138 W C 1.553 178.059 176.519 -0.022 0.000 1.415 138 W CA 0.418 57.751 57.345 -0.020 0.000 1.389 138 W CB -0.236 29.192 29.460 -0.053 0.000 1.492 138 W HN 0.022 nan 8.180 nan 0.000 0.545 139 T N 3.765 118.143 114.554 -0.294 0.000 2.516 139 T HA 0.100 4.449 4.350 -0.001 0.000 0.261 139 T C 0.794 174.904 174.700 -0.982 0.000 1.130 139 T CA 2.395 64.217 62.100 -0.462 0.000 1.193 139 T CB -0.822 67.890 68.868 -0.260 0.000 0.864 139 T HN 0.769 nan 8.240 nan 0.000 0.410 140 G N -0.125 107.761 108.800 -1.523 0.000 2.359 140 G HA2 0.296 4.255 3.960 -0.001 0.000 0.293 140 G HA3 0.296 4.255 3.960 -0.001 0.000 0.293 140 G C -3.254 171.243 174.900 -0.672 0.000 1.300 140 G CA -1.199 42.809 45.100 -1.820 0.000 0.888 140 G HN 0.051 nan 8.290 nan 0.000 0.541 141 P HA 0.202 nan 4.420 nan 0.000 0.247 141 P C -2.045 175.262 177.300 0.012 0.000 1.147 141 P CA 0.095 63.225 63.100 0.049 0.000 0.964 141 P CB -0.132 31.598 31.700 0.050 0.000 0.944 142 P HA 0.662 nan 4.420 nan 0.000 0.302 142 P C -1.391 176.012 177.300 0.170 0.000 1.364 142 P CA -0.886 62.324 63.100 0.184 0.000 1.045 142 P CB 2.675 34.463 31.700 0.148 0.000 1.368 143 E N 1.426 121.792 120.200 0.278 0.000 2.857 143 E HA 0.282 4.632 4.350 -0.001 0.000 0.309 143 E C -3.163 173.744 176.600 0.512 0.000 1.113 143 E CA -1.263 55.361 56.400 0.373 0.000 0.906 143 E CB 1.254 31.215 29.700 0.436 0.000 1.191 143 E HN 0.124 nan 8.360 nan 0.000 0.449 144 P HA 0.213 nan 4.420 nan 0.000 0.276 144 P C 0.969 178.145 177.300 -0.206 0.000 1.235 144 P CA -0.258 62.904 63.100 0.103 0.000 0.772 144 P CB 0.467 32.266 31.700 0.165 0.000 0.871 145 I N 1.167 121.429 120.570 -0.515 0.000 2.194 145 I HA -0.318 3.851 4.170 -0.001 0.000 0.246 145 I C 1.508 177.282 176.117 -0.572 0.000 1.093 145 I CA 1.692 62.389 61.300 -1.004 0.000 1.355 145 I CB -1.016 36.495 38.000 -0.814 0.000 1.046 145 I HN 0.310 nan 8.210 nan 0.000 0.413 146 E N 1.866 121.787 120.200 -0.466 0.000 2.114 146 E HA -0.230 4.120 4.350 -0.001 0.000 0.199 146 E C 2.360 178.613 176.600 -0.578 0.000 1.008 146 E CA 1.762 57.772 56.400 -0.649 0.000 0.810 146 E CB -0.530 28.237 29.700 -1.556 0.000 0.739 146 E HN 0.587 nan 8.360 nan 0.000 0.456 147 A N 0.739 123.319 122.820 -0.400 0.000 1.940 147 A HA -0.147 4.173 4.320 -0.001 0.000 0.219 147 A C 2.324 179.942 177.584 0.057 0.000 1.176 147 A CA 2.123 54.202 52.037 0.070 0.000 0.631 147 A CB -0.740 18.404 19.000 0.240 0.000 0.814 147 A HN 0.311 nan 8.150 nan 0.000 0.446 148 A N -0.675 122.108 122.820 -0.063 0.000 1.903 148 A HA 0.150 4.469 4.320 -0.001 0.000 0.213 148 A C 2.295 179.881 177.584 0.003 0.000 1.185 148 A CA 1.413 53.449 52.037 -0.003 0.000 0.628 148 A CB -1.036 17.946 19.000 -0.029 0.000 0.830 148 A HN 1.142 nan 8.150 nan 0.000 0.446 149 V N -0.789 119.077 119.914 -0.079 0.000 2.626 149 V HA -0.061 4.059 4.120 -0.001 0.000 0.252 149 V C 2.342 178.585 176.094 0.247 0.000 1.067 149 V CA 2.171 64.516 62.300 0.075 0.000 1.081 149 V CB -0.843 30.966 31.823 -0.022 0.000 0.686 149 V HN 0.514 nan 8.190 nan 0.000 0.468 150 A N 0.619 123.544 122.820 0.175 0.000 2.015 150 A HA -0.076 4.243 4.320 -0.001 0.000 0.219 150 A C 2.285 179.988 177.584 0.199 0.000 1.163 150 A CA 1.588 53.754 52.037 0.215 0.000 0.646 150 A CB -0.489 18.645 19.000 0.222 0.000 0.806 150 A HN 0.660 nan 8.150 nan 0.000 0.448 151 R N -2.512 118.093 120.500 0.175 0.000 2.317 151 R HA 0.199 4.539 4.340 -0.001 0.000 0.208 151 R C 1.294 177.690 176.300 0.160 0.000 0.914 151 R CA 0.514 56.704 56.100 0.150 0.000 1.060 151 R CB -0.083 30.299 30.300 0.138 0.000 1.015 151 R HN 0.627 nan 8.270 nan 0.000 0.498 152 F N -0.018 119.921 119.950 -0.018 0.000 2.514 152 F HA 0.285 4.811 4.527 -0.001 0.000 0.281 152 F C 0.176 175.849 175.800 -0.212 0.000 1.060 152 F CA -0.186 57.715 58.000 -0.166 0.000 1.397 152 F CB 0.395 39.225 39.000 -0.283 0.000 1.129 152 F HN -0.294 nan 8.300 nan 0.000 0.620 153 F N 0.632 120.686 119.950 0.173 0.000 2.380 153 F HA 0.248 4.774 4.527 -0.001 0.000 0.319 153 F C 1.782 177.598 175.800 0.028 0.000 1.113 153 F CA 0.038 58.075 58.000 0.061 0.000 1.056 153 F CB 0.846 39.961 39.000 0.192 0.000 1.289 153 F HN -0.099 nan 8.300 nan 0.000 0.515 154 S N -0.349 115.470 115.700 0.197 0.000 2.524 154 S HA 0.649 5.119 4.470 -0.001 0.000 0.216 154 S C 0.222 174.901 174.600 0.132 0.000 0.987 154 S CA 0.226 58.491 58.200 0.108 0.000 0.909 154 S CB 0.005 63.230 63.200 0.041 0.000 0.781 154 S HN 0.842 nan 8.310 nan 0.000 0.521 155 A N 0.392 123.319 122.820 0.178 0.000 2.585 155 A HA 0.674 4.994 4.320 -0.001 0.000 0.299 155 A C -0.729 176.939 177.584 0.139 0.000 1.047 155 A CA -0.653 51.473 52.037 0.148 0.000 0.723 155 A CB 0.634 19.692 19.000 0.098 0.000 1.275 155 A HN 0.294 nan 8.150 nan 0.000 0.408 156 S N -0.646 115.136 115.700 0.137 0.000 2.720 156 S HA 0.734 5.204 4.470 -0.001 0.000 0.287 156 S C -0.981 173.702 174.600 0.137 0.000 1.168 156 S CA -0.497 57.776 58.200 0.121 0.000 0.832 156 S CB 1.564 64.855 63.200 0.152 0.000 1.166 156 S HN 1.836 nan 8.310 nan 0.000 0.493 157 c N 2.306 121.004 118.600 0.164 0.000 2.362 157 c HA 0.723 5.292 4.570 -0.001 0.000 0.309 157 c C -0.849 173.348 174.090 0.178 0.000 1.110 157 c CA -0.190 56.244 56.329 0.174 0.000 1.485 157 c CB -1.427 41.221 42.510 0.230 0.000 1.949 157 c HN 0.601 nan 8.230 nan 0.000 0.419 158 V N 8.397 128.376 119.914 0.109 0.000 2.235 158 V HA 0.301 4.420 4.120 -0.001 0.000 0.266 158 V C -2.171 173.938 176.094 0.025 0.000 1.055 158 V CA -1.317 60.997 62.300 0.023 0.000 0.844 158 V CB 0.841 32.596 31.823 -0.113 0.000 1.097 158 V HN 0.705 nan 8.190 nan 0.000 0.453 159 P HA 0.198 nan 4.420 nan 0.000 0.261 159 P C 1.116 178.516 177.300 0.167 0.000 1.183 159 P CA 1.543 64.706 63.100 0.105 0.000 0.761 159 P CB 0.574 32.367 31.700 0.156 0.000 0.785 160 G N 1.929 110.828 108.800 0.165 0.000 2.213 160 G HA2 -0.124 3.835 3.960 -0.001 0.000 0.226 160 G HA3 -0.124 3.835 3.960 -0.001 0.000 0.226 160 G C 0.454 175.386 174.900 0.055 0.000 0.992 160 G CA -0.050 45.180 45.100 0.216 0.000 0.632 160 G HN 0.819 nan 8.290 nan 0.000 0.511 161 A N 0.182 123.012 122.820 0.017 0.000 2.346 161 A HA 0.509 4.828 4.320 -0.001 0.000 0.252 161 A C 0.361 177.999 177.584 0.090 0.000 1.089 161 A CA 0.526 52.570 52.037 0.011 0.000 0.797 161 A CB 0.285 19.277 19.000 -0.013 0.000 1.047 161 A HN 0.346 nan 8.150 nan 0.000 0.494 162 D N 0.937 121.444 120.400 0.178 0.000 2.435 162 D HA 0.042 4.681 4.640 -0.001 0.000 0.230 162 D C 0.972 177.329 176.300 0.095 0.000 1.215 162 D CA -0.240 53.837 54.000 0.128 0.000 0.947 162 D CB 0.488 41.377 40.800 0.149 0.000 1.048 162 D HN 0.550 nan 8.370 nan 0.000 0.512 163 K N 2.204 122.638 120.400 0.056 0.000 2.574 163 K HA -0.054 4.266 4.320 -0.001 0.000 0.193 163 K C 1.234 177.831 176.600 -0.006 0.000 1.035 163 K CA 0.462 56.775 56.287 0.043 0.000 0.982 163 K CB 0.108 32.628 32.500 0.033 0.000 0.795 163 K HN 0.312 nan 8.250 nan 0.000 0.491 164 G N 0.666 109.436 108.800 -0.048 0.000 2.608 164 G HA2 -0.111 3.849 3.960 -0.001 0.000 0.210 164 G HA3 -0.111 3.849 3.960 -0.001 0.000 0.210 164 G C 1.372 176.159 174.900 -0.189 0.000 1.139 164 G CA -0.066 44.980 45.100 -0.089 0.000 0.812 164 G HN 0.334 nan 8.290 nan 0.000 0.529 165 Q N -1.000 118.592 119.800 -0.345 0.000 2.304 165 Q HA 0.252 4.591 4.340 -0.001 0.000 0.204 165 Q C -0.280 175.177 176.000 -0.905 0.000 0.936 165 Q CA 0.322 55.643 55.803 -0.804 0.000 0.878 165 Q CB 0.358 28.373 28.738 -1.205 0.000 0.983 165 Q HN 0.415 nan 8.270 nan 0.000 0.516 166 F N 0.303 120.269 119.950 0.027 0.000 2.550 166 F HA 0.348 4.874 4.527 -0.001 0.000 0.348 166 F C -1.960 173.866 175.800 0.043 0.000 1.219 166 F CA -2.201 55.825 58.000 0.042 0.000 1.203 166 F CB 1.153 40.181 39.000 0.047 0.000 1.436 166 F HN -0.007 nan 8.300 nan 0.000 0.541 167 P HA -0.211 nan 4.420 nan 0.000 0.216 167 P C 1.251 178.624 177.300 0.123 0.000 1.150 167 P CA 1.430 64.588 63.100 0.096 0.000 0.843 167 P CB 0.467 32.201 31.700 0.057 0.000 0.787 168 N N -0.149 118.642 118.700 0.151 0.000 2.205 168 N HA -0.085 4.654 4.740 -0.001 0.000 0.186 168 N C 1.802 177.408 175.510 0.160 0.000 1.015 168 N CA 0.853 53.994 53.050 0.151 0.000 0.862 168 N CB -0.723 37.867 38.487 0.172 0.000 0.986 168 N HN 0.232 nan 8.380 nan 0.000 0.429 169 L N -0.761 120.569 121.223 0.178 0.000 2.376 169 L HA -0.060 4.279 4.340 -0.001 0.000 0.219 169 L C 1.421 178.363 176.870 0.120 0.000 1.133 169 L CA 0.437 55.366 54.840 0.147 0.000 0.816 169 L CB -0.002 42.136 42.059 0.133 0.000 0.933 169 L HN 0.208 nan 8.230 nan 0.000 0.449 170 c N -1.548 117.122 118.600 0.117 0.000 3.230 170 c HA 0.119 4.688 4.570 -0.001 0.000 0.300 170 c C 2.517 176.661 174.090 0.090 0.000 1.292 170 c CA -0.539 55.848 56.329 0.096 0.000 1.707 170 c CB -0.289 42.269 42.510 0.080 0.000 2.181 170 c HN 0.389 nan 8.230 nan 0.000 0.655 171 R N 1.402 121.957 120.500 0.093 0.000 2.211 171 R HA -0.079 4.261 4.340 -0.001 0.000 0.240 171 R C 1.074 177.428 176.300 0.089 0.000 1.144 171 R CA 1.131 57.279 56.100 0.081 0.000 0.992 171 R CB -0.242 30.107 30.300 0.081 0.000 0.869 171 R HN 0.570 nan 8.270 nan 0.000 0.462 172 L N -0.812 120.481 121.223 0.117 0.000 2.728 172 L HA 0.236 4.576 4.340 -0.001 0.000 0.238 172 L C 0.415 177.421 176.870 0.227 0.000 1.143 172 L CA -0.627 54.304 54.840 0.151 0.000 0.937 172 L CB 0.283 42.426 42.059 0.140 0.000 1.225 172 L HN -0.035 nan 8.230 nan 0.000 0.507 173 c N 1.586 120.281 118.600 0.158 0.000 2.653 173 c HA 0.301 4.870 4.570 -0.001 0.000 0.421 173 c C 1.798 175.858 174.090 -0.050 0.000 1.334 173 c CA 0.135 56.535 56.329 0.119 0.000 1.885 173 c CB 0.720 43.283 42.510 0.088 0.000 2.645 173 c HN 0.616 nan 8.230 nan 0.000 0.601 174 A N 2.718 125.350 122.820 -0.313 0.000 2.345 174 A HA 0.420 4.740 4.320 -0.001 0.000 0.225 174 A C 1.154 178.587 177.584 -0.252 0.000 1.243 174 A CA 0.434 52.215 52.037 -0.426 0.000 0.875 174 A CB -0.395 18.012 19.000 -0.988 0.000 0.929 174 A HN 1.030 nan 8.150 nan 0.000 0.502 175 G N -0.255 108.450 108.800 -0.159 0.000 2.491 175 G HA2 0.382 4.341 3.960 -0.001 0.000 0.242 175 G HA3 0.382 4.341 3.960 -0.001 0.000 0.242 175 G C 0.141 174.994 174.900 -0.079 0.000 1.266 175 G CA 0.638 45.675 45.100 -0.105 0.000 0.844 175 G HN 0.292 nan 8.290 nan 0.000 0.571 176 T N 0.237 114.751 114.554 -0.067 0.000 2.829 176 T HA 0.564 4.913 4.350 -0.001 0.000 0.282 176 T C 1.320 175.996 174.700 -0.039 0.000 0.990 176 T CA 1.228 63.298 62.100 -0.050 0.000 1.028 176 T CB 0.586 69.425 68.868 -0.048 0.000 0.951 176 T HN 2.157 nan 8.240 nan 0.000 0.460 177 G N 4.876 113.657 108.800 -0.031 0.000 2.601 177 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.306 177 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.306 177 G C 0.827 175.713 174.900 -0.022 0.000 1.172 177 G CA 0.771 45.857 45.100 -0.024 0.000 0.966 177 G HN 1.042 nan 8.290 nan 0.000 0.542 178 E N 1.216 121.403 120.200 -0.022 0.000 2.442 178 E HA 0.053 4.402 4.350 -0.001 0.000 0.195 178 E C 1.783 178.368 176.600 -0.025 0.000 1.030 178 E CA 0.782 57.170 56.400 -0.020 0.000 0.869 178 E CB -0.150 29.539 29.700 -0.019 0.000 0.857 178 E HN 0.435 nan 8.360 nan 0.000 0.505 179 N N 1.781 120.461 118.700 -0.033 0.000 2.309 179 N HA -0.103 4.637 4.740 -0.001 0.000 0.182 179 N C 0.386 175.871 175.510 -0.043 0.000 1.018 179 N CA 0.720 53.743 53.050 -0.044 0.000 0.876 179 N CB -0.296 38.159 38.487 -0.053 0.000 0.972 179 N HN 0.059 nan 8.380 nan 0.000 0.434 180 K N 1.147 121.527 120.400 -0.034 0.000 2.321 180 K HA -0.118 4.201 4.320 -0.001 0.000 0.266 180 K C 0.311 176.908 176.600 -0.004 0.000 1.215 180 K CA 0.214 56.486 56.287 -0.024 0.000 1.225 180 K CB -1.013 31.478 32.500 -0.015 0.000 0.827 180 K HN 0.304 nan 8.250 nan 0.000 0.478 181 c N 2.382 120.985 118.600 0.005 0.000 4.601 181 c HA -0.153 4.416 4.570 -0.001 0.000 0.269 181 c C 0.504 174.610 174.090 0.027 0.000 1.241 181 c CA 0.210 56.560 56.329 0.035 0.000 1.867 181 c CB -2.259 40.278 42.510 0.044 0.000 1.404 181 c HN 0.919 nan 8.230 nan 0.000 0.721 182 A N -0.099 122.710 122.820 -0.017 0.000 2.322 182 A HA 0.633 4.953 4.320 -0.001 0.000 0.269 182 A C -0.199 177.325 177.584 -0.099 0.000 1.094 182 A CA -0.003 52.009 52.037 -0.042 0.000 0.807 182 A CB 0.077 19.026 19.000 -0.086 0.000 1.047 182 A HN 1.083 nan 8.150 nan 0.000 0.487 183 F N 2.398 122.220 119.950 -0.214 0.000 2.833 183 F HA 0.341 4.868 4.527 -0.001 0.000 0.327 183 F C 0.247 175.601 175.800 -0.743 0.000 1.184 183 F CA 0.115 57.932 58.000 -0.306 0.000 1.328 183 F CB -0.565 38.386 39.000 -0.081 0.000 1.440 183 F HN 0.417 nan 8.300 nan 0.000 0.569 184 S N -1.137 113.969 115.700 -0.989 0.000 2.671 184 S HA 0.204 4.673 4.470 -0.001 0.000 0.277 184 S C 0.647 174.702 174.600 -0.907 0.000 1.165 184 S CA -0.714 56.960 58.200 -0.876 0.000 0.822 184 S CB 1.508 64.499 63.200 -0.349 0.000 1.150 184 S HN -0.030 nan 8.310 nan 0.000 0.479 185 S N 0.298 115.744 115.700 -0.422 0.000 2.481 185 S HA -0.065 4.405 4.470 -0.001 0.000 0.231 185 S C 1.436 175.979 174.600 -0.096 0.000 0.996 185 S CA 0.825 58.954 58.200 -0.118 0.000 0.942 185 S CB -0.263 62.926 63.200 -0.018 0.000 0.768 185 S HN 0.491 nan 8.310 nan 0.000 0.520 186 Q N 0.767 120.483 119.800 -0.140 0.000 2.508 186 Q HA 0.062 4.402 4.340 -0.001 0.000 0.214 186 Q C 0.387 176.335 176.000 -0.086 0.000 0.979 186 Q CA 0.688 56.436 55.803 -0.093 0.000 0.911 186 Q CB -0.201 28.485 28.738 -0.087 0.000 0.969 186 Q HN 0.335 nan 8.270 nan 0.000 0.504 187 E N 1.106 121.248 120.200 -0.096 0.000 2.102 187 E HA 0.152 4.502 4.350 -0.001 0.000 0.263 187 E C -1.909 174.713 176.600 0.037 0.000 0.894 187 E CA -2.712 53.658 56.400 -0.049 0.000 0.746 187 E CB 1.237 30.915 29.700 -0.036 0.000 1.129 187 E HN -0.124 nan 8.360 nan 0.000 0.416 188 P HA -0.146 nan 4.420 nan 0.000 0.221 188 P C 0.227 177.661 177.300 0.224 0.000 1.145 188 P CA 0.897 64.011 63.100 0.023 0.000 0.795 188 P CB 0.176 31.801 31.700 -0.126 0.000 0.775 189 Y N -1.178 119.155 120.300 0.054 0.000 2.645 189 Y HA 0.301 4.850 4.550 -0.001 0.000 0.307 189 Y C 0.686 176.619 175.900 0.055 0.000 1.151 189 Y CA -2.064 56.060 58.100 0.040 0.000 1.291 189 Y CB -1.243 37.236 38.460 0.031 0.000 1.135 189 Y HN -0.127 nan 8.280 nan 0.000 0.523 190 F N 0.690 120.668 119.950 0.046 0.000 2.399 190 F HA 0.511 5.037 4.527 -0.001 0.000 0.334 190 F C 0.888 176.610 175.800 -0.130 0.000 1.097 190 F CA -0.228 57.709 58.000 -0.104 0.000 1.076 190 F CB 0.869 39.780 39.000 -0.148 0.000 1.162 190 F HN 0.083 nan 8.300 nan 0.000 0.495 191 S N 4.097 119.049 115.700 -1.246 0.000 3.460 191 S HA -0.340 4.130 4.470 -0.001 0.000 0.637 191 S C 0.836 175.092 174.600 -0.574 0.000 2.505 191 S CA 0.710 58.242 58.200 -1.112 0.000 2.686 191 S CB -1.131 61.391 63.200 -1.130 0.000 0.330 191 S HN 0.841 nan 8.310 nan 0.000 1.795 192 Y N 0.825 120.967 120.300 -0.265 0.000 2.029 192 Y HA -0.186 4.364 4.550 0.000 0.000 0.269 192 Y C 3.223 179.076 175.900 -0.077 0.000 1.201 192 Y CA 2.275 60.277 58.100 -0.163 0.000 1.115 192 Y CB -1.387 36.965 38.460 -0.180 0.000 0.945 192 Y HN 0.589 nan 8.280 nan 0.000 0.497 193 S N -0.536 115.223 115.700 0.097 0.000 2.368 193 S HA -0.132 4.338 4.470 -0.001 0.000 0.225 193 S C 2.362 177.003 174.600 0.069 0.000 1.030 193 S CA 1.114 59.376 58.200 0.103 0.000 0.999 193 S CB -0.934 62.312 63.200 0.076 0.000 0.844 193 S HN 0.671 nan 8.310 nan 0.000 0.459 194 G N 0.941 109.759 108.800 0.029 0.000 2.403 194 G HA2 0.033 3.992 3.960 -0.001 0.000 0.216 194 G HA3 0.033 3.992 3.960 -0.001 0.000 0.216 194 G C 1.527 176.425 174.900 -0.003 0.000 1.154 194 G CA 0.799 45.967 45.100 0.112 0.000 0.784 194 G HN 0.551 nan 8.290 nan 0.000 0.538 195 A N 0.481 123.277 122.820 -0.041 0.000 1.898 195 A HA 0.090 4.410 4.320 -0.001 0.000 0.216 195 A C 2.150 179.705 177.584 -0.049 0.000 1.181 195 A CA 1.512 53.505 52.037 -0.073 0.000 0.620 195 A CB -0.534 18.436 19.000 -0.049 0.000 0.819 195 A HN 0.337 nan 8.150 nan 0.000 0.442 196 F N 1.000 120.850 119.950 -0.167 0.000 2.113 196 F HA -0.077 4.450 4.527 -0.001 0.000 0.297 196 F C 2.091 177.764 175.800 -0.212 0.000 1.103 196 F CA 1.830 59.715 58.000 -0.191 0.000 1.248 196 F CB -0.463 38.433 39.000 -0.174 0.000 0.999 196 F HN 0.283 nan 8.300 nan 0.000 0.475 197 K N -0.357 119.900 120.400 -0.238 0.000 2.280 197 K HA -0.202 4.118 4.320 -0.001 0.000 0.202 197 K C 2.394 178.737 176.600 -0.428 0.000 1.047 197 K CA 1.322 57.408 56.287 -0.335 0.000 0.942 197 K CB -0.711 31.726 32.500 -0.106 0.000 0.739 197 K HN 0.443 nan 8.250 nan 0.000 0.457 198 c N 0.628 118.842 118.600 -0.642 0.000 2.435 198 c HA -0.036 4.533 4.570 -0.001 0.000 0.279 198 c C 2.387 176.221 174.090 -0.427 0.000 1.321 198 c CA 0.518 56.264 56.329 -0.971 0.000 1.752 198 c CB -0.858 41.079 42.510 -0.954 0.000 1.959 198 c HN 0.673 nan 8.230 nan 0.000 0.500 199 L N 1.389 122.447 121.223 -0.274 0.000 2.049 199 L HA 0.078 4.417 4.340 -0.001 0.000 0.203 199 L C 2.537 179.344 176.870 -0.104 0.000 1.074 199 L CA 2.096 56.862 54.840 -0.123 0.000 0.749 199 L CB -1.084 40.974 42.059 -0.001 0.000 0.907 199 L HN 0.214 nan 8.230 nan 0.000 0.439 200 K N -0.391 119.864 120.400 -0.241 0.000 2.059 200 K HA -0.228 4.091 4.320 -0.001 0.000 0.212 200 K C 1.604 178.132 176.600 -0.120 0.000 1.050 200 K CA 2.104 58.244 56.287 -0.245 0.000 0.927 200 K CB -0.150 32.066 32.500 -0.472 0.000 0.714 200 K HN 0.390 nan 8.250 nan 0.000 0.447 201 D N -1.715 118.610 120.400 -0.124 0.000 2.317 201 D HA 0.028 4.668 4.640 -0.001 0.000 0.211 201 D C 0.975 177.265 176.300 -0.016 0.000 0.966 201 D CA 1.163 55.142 54.000 -0.035 0.000 0.876 201 D CB 0.547 41.374 40.800 0.045 0.000 0.927 201 D HN 0.489 nan 8.370 nan 0.000 0.519 202 G N -0.135 108.645 108.800 -0.033 0.000 2.159 202 G HA2 -0.274 3.685 3.960 -0.001 0.000 0.227 202 G HA3 -0.274 3.685 3.960 -0.001 0.000 0.227 202 G C 1.200 176.097 174.900 -0.005 0.000 0.986 202 G CA 0.585 45.679 45.100 -0.010 0.000 0.651 202 G HN 0.480 nan 8.290 nan 0.000 0.523 203 A N -0.257 122.555 122.820 -0.014 0.000 1.898 203 A HA 0.607 4.926 4.320 -0.001 0.000 0.214 203 A C 1.696 179.268 177.584 -0.019 0.000 1.183 203 A CA 2.221 54.267 52.037 0.014 0.000 0.622 203 A CB -0.184 18.857 19.000 0.068 0.000 0.824 203 A HN 1.866 nan 8.150 nan 0.000 0.444 204 G N -1.895 106.863 108.800 -0.070 0.000 2.600 204 G HA2 0.463 4.422 3.960 -0.001 0.000 0.303 204 G HA3 0.463 4.422 3.960 -0.001 0.000 0.303 204 G C -0.499 174.359 174.900 -0.070 0.000 1.253 204 G CA 0.010 45.062 45.100 -0.080 0.000 0.974 204 G HN 0.048 nan 8.290 nan 0.000 0.483 205 D N -1.210 119.137 120.400 -0.089 0.000 2.277 205 D HA 0.025 4.665 4.640 -0.001 0.000 0.209 205 D C 0.543 176.842 176.300 -0.002 0.000 0.970 205 D CA 0.741 54.712 54.000 -0.048 0.000 0.874 205 D CB 1.189 41.872 40.800 -0.194 0.000 0.982 205 D HN 0.128 nan 8.370 nan 0.000 0.504 206 V N 0.214 120.039 119.914 -0.150 0.000 2.789 206 V HA 0.657 4.776 4.120 -0.001 0.000 0.311 206 V C -1.632 174.171 176.094 -0.486 0.000 1.073 206 V CA -0.783 61.338 62.300 -0.298 0.000 0.921 206 V CB 1.960 33.562 31.823 -0.369 0.000 1.009 206 V HN 0.108 nan 8.190 nan 0.000 0.426 207 A N 5.811 128.370 122.820 -0.435 0.000 2.318 207 A HA 0.856 5.175 4.320 -0.001 0.000 0.317 207 A C -1.282 176.087 177.584 -0.358 0.000 1.159 207 A CA -0.355 51.486 52.037 -0.326 0.000 0.799 207 A CB 0.757 19.707 19.000 -0.084 0.000 1.194 207 A HN 0.705 nan 8.150 nan 0.000 0.479 208 F N 3.584 123.439 119.950 -0.158 0.000 2.334 208 F HA 0.560 5.086 4.527 -0.001 0.000 0.367 208 F C 0.603 176.394 175.800 -0.015 0.000 1.115 208 F CA -0.366 57.581 58.000 -0.088 0.000 1.116 208 F CB 0.774 39.681 39.000 -0.154 0.000 1.230 208 F HN 0.630 nan 8.300 nan 0.000 0.484 209 I N 0.014 120.685 120.570 0.170 0.000 3.722 209 I HA 0.773 4.943 4.170 -0.001 0.000 0.285 209 I C -1.082 175.117 176.117 0.137 0.000 1.140 209 I CA -1.752 59.657 61.300 0.181 0.000 1.178 209 I CB 2.092 40.128 38.000 0.059 0.000 1.359 209 I HN 0.255 nan 8.210 nan 0.000 0.456 210 R N 0.682 121.168 120.500 -0.022 0.000 2.732 210 R HA 0.328 4.667 4.340 -0.001 0.000 0.278 210 R C 0.732 176.911 176.300 -0.202 0.000 0.976 210 R CA -0.605 55.416 56.100 -0.133 0.000 0.963 210 R CB 1.146 31.130 30.300 -0.527 0.000 1.150 210 R HN 0.674 nan 8.270 nan 0.000 0.478 211 E N 1.761 121.873 120.200 -0.146 0.000 2.118 211 E HA -0.225 4.125 4.350 -0.001 0.000 0.195 211 E C 0.973 177.471 176.600 -0.171 0.000 0.992 211 E CA 2.348 58.609 56.400 -0.232 0.000 0.804 211 E CB -0.344 29.000 29.700 -0.594 0.000 0.741 211 E HN 0.653 nan 8.360 nan 0.000 0.458 212 S N 0.598 116.161 115.700 -0.229 0.000 2.383 212 S HA -0.161 4.309 4.470 -0.001 0.000 0.229 212 S C 2.111 176.652 174.600 -0.098 0.000 1.030 212 S CA 1.633 59.752 58.200 -0.135 0.000 1.002 212 S CB -1.106 61.942 63.200 -0.253 0.000 0.829 212 S HN 0.325 nan 8.310 nan 0.000 0.467 213 T N 3.053 117.455 114.554 -0.254 0.000 2.544 213 T HA -0.151 4.199 4.350 -0.001 0.000 0.264 213 T C 1.930 176.439 174.700 -0.318 0.000 1.096 213 T CA 1.950 63.891 62.100 -0.265 0.000 1.181 213 T CB -1.039 67.650 68.868 -0.298 0.000 0.864 213 T HN 0.303 nan 8.240 nan 0.000 0.415 214 V N 0.782 120.342 119.914 -0.590 0.000 2.313 214 V HA -0.252 3.868 4.120 -0.001 0.000 0.253 214 V C 2.141 177.940 176.094 -0.492 0.000 1.070 214 V CA 2.012 63.832 62.300 -0.801 0.000 1.057 214 V CB -0.955 30.383 31.823 -0.807 0.000 0.653 214 V HN 0.384 nan 8.190 nan 0.000 0.450 215 F N 0.205 120.049 119.950 -0.176 0.000 2.074 215 F HA -0.058 4.470 4.527 0.002 0.000 0.293 215 F C 2.515 178.290 175.800 -0.041 0.000 1.116 215 F CA 1.706 59.663 58.000 -0.071 0.000 1.212 215 F CB -0.651 38.309 39.000 -0.066 0.000 0.998 215 F HN 0.065 nan 8.300 nan 0.000 0.471 216 E N -0.142 120.131 120.200 0.122 0.000 2.267 216 E HA -0.200 4.149 4.350 -0.001 0.000 0.197 216 E C 1.000 177.635 176.600 0.057 0.000 0.998 216 E CA 1.448 57.886 56.400 0.063 0.000 0.830 216 E CB -0.152 29.553 29.700 0.009 0.000 0.751 216 E HN 0.375 nan 8.360 nan 0.000 0.491 217 D N -0.822 119.621 120.400 0.071 0.000 2.389 217 D HA 0.044 4.684 4.640 -0.001 0.000 0.206 217 D C -0.526 175.841 176.300 0.111 0.000 1.055 217 D CA 0.079 54.145 54.000 0.110 0.000 0.856 217 D CB 0.449 41.365 40.800 0.194 0.000 0.957 217 D HN -0.023 nan 8.370 nan 0.000 0.509 218 L N 1.746 123.030 121.223 0.103 0.000 2.270 218 L HA 0.216 4.556 4.340 -0.001 0.000 0.286 218 L C 1.439 178.349 176.870 0.067 0.000 1.059 218 L CA -0.192 54.700 54.840 0.086 0.000 0.839 218 L CB 0.587 42.692 42.059 0.077 0.000 1.221 218 L HN -0.107 nan 8.230 nan 0.000 0.431 219 S N 2.072 117.807 115.700 0.059 0.000 2.482 219 S HA -0.193 4.277 4.470 -0.001 0.000 0.226 219 S C 1.135 175.766 174.600 0.053 0.000 1.048 219 S CA 1.142 59.372 58.200 0.050 0.000 1.158 219 S CB -0.394 62.828 63.200 0.037 0.000 1.130 219 S HN 0.721 nan 8.310 nan 0.000 0.413 220 D N 0.899 121.329 120.400 0.049 0.000 1.799 220 D HA -0.078 4.561 4.640 -0.001 0.000 0.258 220 D C 0.973 177.309 176.300 0.060 0.000 1.087 220 D CA 0.878 54.907 54.000 0.048 0.000 0.939 220 D CB 0.105 40.929 40.800 0.040 0.000 1.307 220 D HN 0.547 nan 8.370 nan 0.000 0.466 221 E N -1.627 118.607 120.200 0.057 0.000 2.767 221 E HA 0.152 4.501 4.350 -0.001 0.000 0.192 221 E C 0.120 176.753 176.600 0.055 0.000 0.938 221 E CA 0.032 56.472 56.400 0.067 0.000 1.312 221 E CB 0.394 30.140 29.700 0.076 0.000 1.072 221 E HN 0.318 nan 8.360 nan 0.000 0.511 222 A N 1.147 123.996 122.820 0.047 0.000 1.944 222 A HA 0.044 4.364 4.320 -0.001 0.000 0.209 222 A C 1.457 179.063 177.584 0.036 0.000 1.328 222 A CA 0.661 52.718 52.037 0.034 0.000 0.693 222 A CB -0.180 18.834 19.000 0.024 0.000 0.994 222 A HN 0.137 nan 8.150 nan 0.000 0.485 223 E N 1.062 121.293 120.200 0.052 0.000 2.505 223 E HA -0.007 4.343 4.350 -0.001 0.000 0.197 223 E C 1.242 177.935 176.600 0.155 0.000 1.111 223 E CA 0.279 56.717 56.400 0.062 0.000 0.887 223 E CB -0.618 29.128 29.700 0.077 0.000 0.913 223 E HN 0.588 nan 8.360 nan 0.000 0.517 224 R N 0.224 120.805 120.500 0.135 0.000 2.246 224 R HA -0.007 4.332 4.340 -0.001 0.000 0.199 224 R C 0.856 177.237 176.300 0.135 0.000 0.984 224 R CA 0.994 57.205 56.100 0.185 0.000 1.015 224 R CB 0.126 30.453 30.300 0.045 0.000 0.930 224 R HN 0.181 nan 8.270 nan 0.000 0.475 225 D N 0.462 120.891 120.400 0.049 0.000 2.340 225 D HA -0.063 4.577 4.640 -0.001 0.000 0.220 225 D C 0.880 177.135 176.300 -0.075 0.000 1.039 225 D CA 0.584 54.584 54.000 0.001 0.000 0.866 225 D CB 0.293 41.096 40.800 0.004 0.000 0.913 225 D HN 0.123 nan 8.370 nan 0.000 0.523 226 E N -1.047 119.052 120.200 -0.168 0.000 2.479 226 E HA 0.031 4.380 4.350 -0.001 0.000 0.193 226 E C -0.429 175.687 176.600 -0.807 0.000 1.049 226 E CA 0.006 56.154 56.400 -0.420 0.000 0.870 226 E CB 0.405 29.816 29.700 -0.482 0.000 0.944 226 E HN 0.343 nan 8.360 nan 0.000 0.492 227 Y N 0.393 120.693 120.300 -0.001 0.000 2.487 227 Y HA 0.468 5.017 4.550 -0.001 0.000 0.337 227 Y C -0.005 175.880 175.900 -0.025 0.000 1.076 227 Y CA -0.936 57.165 58.100 0.001 0.000 1.115 227 Y CB 1.665 40.132 38.460 0.011 0.000 1.235 227 Y HN -0.222 nan 8.280 nan 0.000 0.468 228 E N 1.185 121.484 120.200 0.164 0.000 2.335 228 E HA 0.443 4.792 4.350 -0.001 0.000 0.280 228 E C -2.067 174.562 176.600 0.048 0.000 0.918 228 E CA -0.808 55.628 56.400 0.059 0.000 0.765 228 E CB 1.680 31.370 29.700 -0.017 0.000 1.218 228 E HN 0.362 nan 8.360 nan 0.000 0.425 229 L N 3.328 124.572 121.223 0.036 0.000 2.307 229 L HA 0.407 4.747 4.340 -0.001 0.000 0.282 229 L C -0.317 176.570 176.870 0.028 0.000 1.051 229 L CA -0.296 54.569 54.840 0.041 0.000 0.804 229 L CB 0.944 43.045 42.059 0.070 0.000 1.197 229 L HN 0.514 nan 8.230 nan 0.000 0.431 230 L N 2.967 124.217 121.223 0.046 0.000 2.290 230 L HA 0.335 4.674 4.340 -0.001 0.000 0.284 230 L C -0.444 176.467 176.870 0.069 0.000 1.078 230 L CA -0.403 54.469 54.840 0.052 0.000 0.815 230 L CB 0.849 42.970 42.059 0.102 0.000 1.162 230 L HN 0.646 nan 8.230 nan 0.000 0.435 231 c N 3.682 122.307 118.600 0.042 0.000 2.370 231 c HA 0.311 4.880 4.570 -0.001 0.000 0.354 231 c C -0.693 173.426 174.090 0.048 0.000 1.218 231 c CA -1.331 55.016 56.329 0.029 0.000 2.154 231 c CB 0.924 43.430 42.510 -0.006 0.000 2.391 231 c HN 0.606 nan 8.230 nan 0.000 0.540 232 P HA -0.079 nan 4.420 nan 0.000 0.236 232 P C 0.330 177.661 177.300 0.052 0.000 1.172 232 P CA 1.500 64.634 63.100 0.056 0.000 0.759 232 P CB -0.100 31.620 31.700 0.034 0.000 0.843 233 D N -1.338 119.083 120.400 0.034 0.000 2.559 233 D HA 0.013 4.653 4.640 -0.001 0.000 0.234 233 D C -0.354 175.971 176.300 0.042 0.000 1.226 233 D CA -1.005 53.017 54.000 0.037 0.000 0.830 233 D CB -1.702 39.109 40.800 0.019 0.000 1.028 233 D HN 0.045 nan 8.370 nan 0.000 0.492 234 N N 0.037 118.769 118.700 0.055 0.000 2.667 234 N HA -0.159 4.580 4.740 -0.001 0.000 0.263 234 N C -0.692 174.832 175.510 0.024 0.000 1.038 234 N CA 0.893 53.974 53.050 0.053 0.000 0.749 234 N CB -1.068 37.455 38.487 0.059 0.000 0.892 234 N HN 0.360 nan 8.380 nan 0.000 0.546 235 T N -0.405 114.157 114.554 0.013 0.000 2.724 235 T HA 0.703 5.052 4.350 -0.001 0.000 0.274 235 T C 0.024 174.712 174.700 -0.021 0.000 0.984 235 T CA -0.909 61.187 62.100 -0.007 0.000 1.024 235 T CB 2.041 70.905 68.868 -0.006 0.000 1.320 235 T HN 0.152 nan 8.240 nan 0.000 0.555 236 R N -0.052 120.428 120.500 -0.034 0.000 2.698 236 R HA 0.680 5.019 4.340 -0.001 0.000 0.275 236 R C -1.116 175.167 176.300 -0.029 0.000 1.001 236 R CA -1.025 55.048 56.100 -0.045 0.000 0.896 236 R CB 2.106 32.352 30.300 -0.089 0.000 1.218 236 R HN 0.527 nan 8.270 nan 0.000 0.462 237 K N 1.232 121.622 120.400 -0.017 0.000 2.548 237 K HA 0.466 4.785 4.320 -0.001 0.000 0.282 237 K C -2.911 173.692 176.600 0.005 0.000 1.006 237 K CA -2.067 54.213 56.287 -0.011 0.000 0.892 237 K CB 1.981 34.473 32.500 -0.014 0.000 1.499 237 K HN 0.300 nan 8.250 nan 0.000 0.433 238 P HA -0.023 nan 4.420 nan 0.000 0.272 238 P C 1.212 178.551 177.300 0.065 0.000 1.230 238 P CA -0.422 62.697 63.100 0.032 0.000 0.788 238 P CB 0.474 32.190 31.700 0.026 0.000 0.949 239 V N -0.955 119.009 119.914 0.084 0.000 2.568 239 V HA -0.232 3.887 4.120 -0.001 0.000 0.253 239 V C 1.367 177.688 176.094 0.377 0.000 1.072 239 V CA 2.378 64.759 62.300 0.134 0.000 1.084 239 V CB -1.814 29.968 31.823 -0.068 0.000 0.676 239 V HN 0.531 nan 8.190 nan 0.000 0.469 240 D N -1.046 119.538 120.400 0.307 0.000 2.349 240 D HA -0.039 4.601 4.640 -0.001 0.000 0.224 240 D C 1.611 177.814 176.300 -0.161 0.000 1.029 240 D CA 0.389 54.571 54.000 0.303 0.000 0.879 240 D CB -0.344 40.602 40.800 0.243 0.000 0.906 240 D HN 0.345 nan 8.370 nan 0.000 0.528 241 K N 0.289 120.632 120.400 -0.095 0.000 2.410 241 K HA 0.105 4.424 4.320 -0.001 0.000 0.200 241 K C 0.984 177.460 176.600 -0.208 0.000 1.023 241 K CA -0.288 55.888 56.287 -0.185 0.000 1.149 241 K CB -0.343 32.114 32.500 -0.072 0.000 0.859 241 K HN 0.337 nan 8.250 nan 0.000 0.514 242 F N 0.610 120.542 119.950 -0.031 0.000 2.192 242 F HA -0.139 4.386 4.527 -0.003 0.000 0.301 242 F C 1.438 177.045 175.800 -0.321 0.000 1.079 242 F CA 1.027 58.965 58.000 -0.104 0.000 1.303 242 F CB -0.627 38.355 39.000 -0.031 0.000 1.024 242 F HN -0.153 nan 8.300 nan 0.000 0.494 243 K N 0.200 120.166 120.400 -0.723 0.000 2.360 243 K HA -0.111 4.209 4.320 -0.001 0.000 0.201 243 K C 0.764 177.240 176.600 -0.205 0.000 1.046 243 K CA 1.379 57.349 56.287 -0.529 0.000 0.945 243 K CB -0.290 31.984 32.500 -0.378 0.000 0.750 243 K HN 0.449 nan 8.250 nan 0.000 0.464 244 D N -0.981 119.306 120.400 -0.188 0.000 2.441 244 D HA 0.016 4.655 4.640 -0.001 0.000 0.210 244 D C -0.125 176.058 176.300 -0.194 0.000 1.102 244 D CA 0.193 54.101 54.000 -0.153 0.000 0.840 244 D CB 0.553 41.289 40.800 -0.107 0.000 0.990 244 D HN 0.027 nan 8.370 nan 0.000 0.505 245 c N 3.329 121.839 118.600 -0.149 0.000 3.164 245 c HA 0.320 4.889 4.570 -0.001 0.000 0.250 245 c C -0.790 173.313 174.090 0.021 0.000 1.151 245 c CA -0.411 55.864 56.329 -0.091 0.000 1.449 245 c CB -1.128 41.371 42.510 -0.019 0.000 1.825 245 c HN 0.363 nan 8.230 nan 0.000 0.478 246 H N 2.810 121.912 119.070 0.052 0.000 3.012 246 H HA 0.344 4.900 4.556 -0.000 0.000 0.367 246 H C -0.215 175.176 175.328 0.104 0.000 1.211 246 H CA -0.916 55.193 56.048 0.102 0.000 1.139 246 H CB 0.856 30.706 29.762 0.146 0.000 1.838 246 H HN 0.259 nan 8.280 nan 0.000 0.550 247 L N 0.365 121.765 121.223 0.296 0.000 2.179 247 L HA 0.276 4.615 4.340 -0.001 0.000 0.208 247 L C 0.868 177.866 176.870 0.214 0.000 1.096 247 L CA 1.285 56.244 54.840 0.199 0.000 0.779 247 L CB -0.219 41.931 42.059 0.152 0.000 0.922 247 L HN 0.802 nan 8.230 nan 0.000 0.443 248 A N 0.162 123.125 122.820 0.239 0.000 2.590 248 A HA 0.577 4.897 4.320 -0.001 0.000 0.294 248 A C -1.110 176.406 177.584 -0.115 0.000 1.046 248 A CA -0.813 51.287 52.037 0.105 0.000 0.684 248 A CB 1.022 19.998 19.000 -0.040 0.000 1.279 248 A HN 0.206 nan 8.150 nan 0.000 0.415 249 R N 0.539 120.903 120.500 -0.226 0.000 2.338 249 R HA 0.670 5.010 4.340 -0.001 0.000 0.317 249 R C -0.384 175.655 176.300 -0.435 0.000 0.968 249 R CA -0.671 55.070 56.100 -0.598 0.000 0.849 249 R CB 1.806 31.536 30.300 -0.950 0.000 1.128 249 R HN 1.092 nan 8.270 nan 0.000 0.448 250 V N 1.584 121.087 119.914 -0.685 0.000 2.394 250 V HA 0.575 4.694 4.120 -0.001 0.000 0.282 250 V C -2.493 173.359 176.094 -0.402 0.000 1.031 250 V CA -2.587 59.437 62.300 -0.459 0.000 0.881 250 V CB 1.331 32.780 31.823 -0.623 0.000 0.982 250 V HN 0.734 nan 8.190 nan 0.000 0.451 251 P HA 0.331 nan 4.420 nan 0.000 0.279 251 P C -0.153 177.238 177.300 0.151 0.000 1.252 251 P CA -0.137 62.896 63.100 -0.112 0.000 0.811 251 P CB 1.159 32.559 31.700 -0.500 0.000 1.035 252 S N 0.604 116.414 115.700 0.183 0.000 2.600 252 S HA 0.145 4.615 4.470 -0.001 0.000 0.265 252 S C 0.248 175.143 174.600 0.492 0.000 1.325 252 S CA -0.349 58.015 58.200 0.274 0.000 1.002 252 S CB -0.548 62.542 63.200 -0.183 0.000 0.921 252 S HN 0.452 nan 8.310 nan 0.000 0.554 253 H N 0.242 119.566 119.070 0.424 0.000 2.852 253 H HA 0.456 5.012 4.556 0.000 0.000 0.362 253 H C 0.410 175.948 175.328 0.351 0.000 1.122 253 H CA 0.126 56.411 56.048 0.396 0.000 1.419 253 H CB 0.446 30.452 29.762 0.406 0.000 1.401 253 H HN 0.886 nan 8.280 nan 0.000 0.609 254 A N 2.280 125.328 122.820 0.379 0.000 2.498 254 A HA 0.442 4.762 4.320 -0.001 0.000 0.298 254 A C -0.823 176.870 177.584 0.182 0.000 1.075 254 A CA -0.752 51.416 52.037 0.218 0.000 0.714 254 A CB 1.307 20.200 19.000 -0.179 0.000 1.299 254 A HN 0.457 nan 8.150 nan 0.000 0.407 255 V N 2.113 122.160 119.914 0.221 0.000 2.455 255 V HA 0.404 4.524 4.120 -0.001 0.000 0.273 255 V C 0.509 176.597 176.094 -0.010 0.000 1.045 255 V CA -0.107 62.287 62.300 0.157 0.000 0.976 255 V CB 0.698 32.676 31.823 0.259 0.000 0.993 255 V HN 1.024 nan 8.190 nan 0.000 0.475 256 V N 3.107 122.970 119.914 -0.085 0.000 2.630 256 V HA 1.049 5.169 4.120 -0.001 0.000 0.305 256 V C 0.010 176.009 176.094 -0.158 0.000 1.046 256 V CA -0.176 62.051 62.300 -0.123 0.000 0.934 256 V CB 1.493 33.248 31.823 -0.113 0.000 1.003 256 V HN 1.101 nan 8.190 nan 0.000 0.451 257 A N 4.166 126.909 122.820 -0.127 0.000 2.564 257 A HA 0.830 5.149 4.320 -0.001 0.000 0.288 257 A C -0.259 177.271 177.584 -0.090 0.000 1.164 257 A CA -1.272 50.694 52.037 -0.119 0.000 0.712 257 A CB 1.362 20.304 19.000 -0.097 0.000 1.303 257 A HN 0.933 nan 8.150 nan 0.000 0.418 258 R N 0.385 120.838 120.500 -0.077 0.000 2.543 258 R HA 0.253 4.592 4.340 -0.001 0.000 0.277 258 R C 1.221 177.490 176.300 -0.052 0.000 1.074 258 R CA 0.575 56.642 56.100 -0.054 0.000 1.076 258 R CB 0.649 30.921 30.300 -0.046 0.000 0.993 258 R HN 0.839 nan 8.270 nan 0.000 0.459 259 S N 0.605 116.279 115.700 -0.044 0.000 2.446 259 S HA -0.000 4.469 4.470 -0.001 0.000 0.225 259 S C 0.708 175.282 174.600 -0.043 0.000 1.016 259 S CA -0.105 58.066 58.200 -0.048 0.000 0.943 259 S CB 0.292 63.464 63.200 -0.047 0.000 0.786 259 S HN 0.293 nan 8.310 nan 0.000 0.508 260 V N 2.307 122.198 119.914 -0.037 0.000 2.407 260 V HA 0.486 4.605 4.120 -0.001 0.000 0.291 260 V C -0.072 176.003 176.094 -0.032 0.000 1.018 260 V CA -1.057 61.223 62.300 -0.034 0.000 0.842 260 V CB 0.576 32.380 31.823 -0.031 0.000 0.996 260 V HN 0.489 nan 8.190 nan 0.000 0.426 261 N N 3.238 121.919 118.700 -0.031 0.000 2.699 261 N HA -0.147 4.593 4.740 -0.001 0.000 0.257 261 N C 1.057 176.547 175.510 -0.034 0.000 1.077 261 N CA 0.780 53.812 53.050 -0.029 0.000 0.702 261 N CB -0.364 38.107 38.487 -0.026 0.000 0.886 261 N HN 1.127 nan 8.380 nan 0.000 0.549 262 G N -0.042 108.736 108.800 -0.037 0.000 2.986 262 G HA2 0.010 3.969 3.960 -0.001 0.000 0.213 262 G HA3 0.010 3.969 3.960 -0.001 0.000 0.213 262 G C 0.912 175.788 174.900 -0.039 0.000 1.156 262 G CA 0.542 45.615 45.100 -0.045 0.000 0.763 262 G HN 0.426 nan 8.290 nan 0.000 0.547 263 K N -0.368 120.017 120.400 -0.025 0.000 3.209 263 K HA -0.190 4.130 4.320 -0.001 0.000 0.289 263 K C 1.373 177.978 176.600 0.008 0.000 1.191 263 K CA 0.928 57.209 56.287 -0.011 0.000 0.851 263 K CB -1.121 31.369 32.500 -0.016 0.000 1.242 263 K HN 0.450 nan 8.250 nan 0.000 0.480 264 E N 0.064 120.266 120.200 0.004 0.000 2.219 264 E HA -0.210 4.139 4.350 -0.001 0.000 0.198 264 E C 0.996 177.645 176.600 0.082 0.000 0.998 264 E CA 1.968 58.385 56.400 0.028 0.000 0.818 264 E CB -0.128 29.570 29.700 -0.004 0.000 0.741 264 E HN 0.615 nan 8.360 nan 0.000 0.477 265 D N 0.967 121.407 120.400 0.066 0.000 2.084 265 D HA -0.148 4.491 4.640 -0.001 0.000 0.194 265 D C 1.920 178.295 176.300 0.125 0.000 0.990 265 D CA 1.653 55.714 54.000 0.100 0.000 0.826 265 D CB -0.343 40.490 40.800 0.055 0.000 0.971 265 D HN 0.258 nan 8.370 nan 0.000 0.453 266 A N 0.917 123.782 122.820 0.075 0.000 1.849 266 A HA -0.220 4.100 4.320 -0.001 0.000 0.217 266 A C 2.283 179.911 177.584 0.074 0.000 1.202 266 A CA 1.463 53.530 52.037 0.051 0.000 0.629 266 A CB -1.135 17.879 19.000 0.022 0.000 0.834 266 A HN 0.208 nan 8.150 nan 0.000 0.447 267 I N -1.726 118.901 120.570 0.095 0.000 2.145 267 I HA -0.334 3.836 4.170 -0.001 0.000 0.244 267 I C 2.554 178.779 176.117 0.180 0.000 1.075 267 I CA 1.986 63.372 61.300 0.144 0.000 1.332 267 I CB -0.356 37.717 38.000 0.121 0.000 1.033 267 I HN 0.755 nan 8.210 nan 0.000 0.410 268 W N 1.904 123.222 121.300 0.030 0.000 2.436 268 W HA -0.181 4.476 4.660 -0.004 0.000 0.284 268 W C 2.257 178.801 176.519 0.042 0.000 1.225 268 W CA 1.550 58.910 57.345 0.026 0.000 1.271 268 W CB -0.264 29.206 29.460 0.016 0.000 1.114 268 W HN 0.229 nan 8.180 nan 0.000 0.559 269 N N 1.207 119.892 118.700 -0.025 0.000 2.062 269 N HA -0.239 4.501 4.740 -0.001 0.000 0.191 269 N C 2.209 177.637 175.510 -0.136 0.000 1.042 269 N CA 2.342 55.338 53.050 -0.090 0.000 0.845 269 N CB -1.092 37.403 38.487 0.013 0.000 1.024 269 N HN 0.194 nan 8.380 nan 0.000 0.424 270 L N -0.255 120.935 121.223 -0.054 0.000 2.010 270 L HA -0.230 4.110 4.340 -0.001 0.000 0.219 270 L C 1.927 178.802 176.870 0.008 0.000 1.077 270 L CA 1.580 56.414 54.840 -0.010 0.000 0.773 270 L CB -0.447 41.625 42.059 0.022 0.000 0.892 270 L HN 0.274 nan 8.230 nan 0.000 0.436 271 L N 0.078 121.238 121.223 -0.104 0.000 2.056 271 L HA -0.199 4.140 4.340 -0.001 0.000 0.207 271 L C 2.843 179.518 176.870 -0.325 0.000 1.078 271 L CA 1.796 56.483 54.840 -0.255 0.000 0.749 271 L CB -1.011 40.751 42.059 -0.494 0.000 0.901 271 L HN 0.327 nan 8.230 nan 0.000 0.433 272 R N -0.843 119.287 120.500 -0.616 0.000 2.092 272 R HA -0.148 4.191 4.340 -0.001 0.000 0.231 272 R C 2.052 178.231 176.300 -0.201 0.000 1.119 272 R CA 1.320 57.097 56.100 -0.539 0.000 0.970 272 R CB -0.050 29.770 30.300 -0.800 0.000 0.864 272 R HN 0.493 nan 8.270 nan 0.000 0.440 273 Q N -0.031 119.686 119.800 -0.139 0.000 2.049 273 Q HA -0.045 4.295 4.340 -0.001 0.000 0.198 273 Q C 2.237 178.256 176.000 0.031 0.000 0.971 273 Q CA 1.273 57.049 55.803 -0.045 0.000 0.833 273 Q CB -0.170 28.556 28.738 -0.019 0.000 0.896 273 Q HN 0.421 nan 8.270 nan 0.000 0.434 274 A N 1.558 124.462 122.820 0.141 0.000 1.958 274 A HA -0.319 4.000 4.320 -0.001 0.000 0.221 274 A C 2.034 179.697 177.584 0.131 0.000 1.178 274 A CA 2.141 54.371 52.037 0.322 0.000 0.642 274 A CB -0.669 18.585 19.000 0.423 0.000 0.816 274 A HN 0.482 nan 8.150 nan 0.000 0.453 275 Q N -1.302 118.528 119.800 0.050 0.000 2.096 275 Q HA -0.143 4.197 4.340 -0.001 0.000 0.197 275 Q C 2.088 178.081 176.000 -0.010 0.000 0.964 275 Q CA 1.128 56.955 55.803 0.039 0.000 0.838 275 Q CB -0.197 28.625 28.738 0.140 0.000 0.906 275 Q HN 0.593 nan 8.270 nan 0.000 0.444 276 E N 0.935 121.109 120.200 -0.044 0.000 2.058 276 E HA -0.190 4.160 4.350 -0.001 0.000 0.194 276 E C 1.734 178.256 176.600 -0.131 0.000 0.997 276 E CA 1.401 57.760 56.400 -0.069 0.000 0.801 276 E CB 0.163 29.822 29.700 -0.068 0.000 0.746 276 E HN 0.350 nan 8.360 nan 0.000 0.450 277 K N -1.165 119.088 120.400 -0.246 0.000 2.128 277 K HA 0.005 4.325 4.320 -0.001 0.000 0.202 277 K C 1.433 177.655 176.600 -0.631 0.000 1.050 277 K CA 0.665 56.644 56.287 -0.513 0.000 0.966 277 K CB 0.109 32.105 32.500 -0.840 0.000 0.759 277 K HN 0.019 nan 8.250 nan 0.000 0.454 278 F N 0.673 120.627 119.950 0.007 0.000 2.647 278 F HA 0.273 4.802 4.527 0.004 0.000 0.300 278 F C 1.458 177.155 175.800 -0.172 0.000 1.106 278 F CA -0.815 57.167 58.000 -0.030 0.000 1.313 278 F CB -0.318 38.742 39.000 0.101 0.000 1.007 278 F HN -0.013 nan 8.300 nan 0.000 0.536 279 G N 0.969 109.762 108.800 -0.012 0.000 1.956 279 G HA2 -0.184 3.775 3.960 -0.001 0.000 0.522 279 G HA3 -0.184 3.775 3.960 -0.001 0.000 0.522 279 G C 0.130 175.063 174.900 0.054 0.000 1.379 279 G CA -0.197 44.910 45.100 0.012 0.000 1.070 279 G HN 0.252 nan 8.290 nan 0.000 0.470 280 K N 0.291 120.743 120.400 0.087 0.000 2.307 280 K HA 0.352 4.671 4.320 -0.001 0.000 0.263 280 K C -1.097 175.516 176.600 0.021 0.000 0.973 280 K CA -0.149 56.178 56.287 0.067 0.000 0.846 280 K CB 0.889 33.421 32.500 0.054 0.000 1.100 280 K HN 0.377 nan 8.250 nan 0.000 0.438 281 D N 3.433 123.840 120.400 0.011 0.000 2.848 281 D HA -0.123 4.516 4.640 -0.001 0.000 0.245 281 D C -0.207 176.094 176.300 0.003 0.000 1.122 281 D CA 0.756 54.759 54.000 0.004 0.000 0.769 281 D CB -0.202 40.597 40.800 -0.000 0.000 1.025 281 D HN 0.676 nan 8.370 nan 0.000 0.423 282 K N -1.111 119.294 120.400 0.008 0.000 2.550 282 K HA 0.227 4.547 4.320 -0.001 0.000 0.205 282 K C 0.394 176.999 176.600 0.008 0.000 1.429 282 K CA 0.266 56.548 56.287 -0.008 0.000 0.997 282 K CB 1.324 33.804 32.500 -0.032 0.000 1.328 282 K HN 0.191 nan 8.250 nan 0.000 0.546 283 S N 0.659 116.394 115.700 0.058 0.000 2.542 283 S HA 0.381 4.851 4.470 -0.001 0.000 0.276 283 S C -2.697 171.968 174.600 0.109 0.000 1.148 283 S CA -0.974 57.292 58.200 0.111 0.000 0.886 283 S CB 1.864 65.204 63.200 0.234 0.000 1.109 283 S HN -0.174 nan 8.310 nan 0.000 0.458 284 P HA 0.261 nan 4.420 nan 0.000 0.234 284 P C 0.585 177.943 177.300 0.097 0.000 1.175 284 P CA 0.433 63.575 63.100 0.070 0.000 0.801 284 P CB 0.066 31.796 31.700 0.051 0.000 0.891 285 K N -1.682 118.806 120.400 0.148 0.000 2.365 285 K HA 0.100 4.420 4.320 -0.001 0.000 0.199 285 K C 0.118 176.847 176.600 0.216 0.000 1.045 285 K CA 0.648 57.033 56.287 0.164 0.000 0.962 285 K CB -0.101 32.506 32.500 0.179 0.000 0.759 285 K HN 0.148 nan 8.250 nan 0.000 0.469 286 F N -0.045 119.918 119.950 0.021 0.000 2.704 286 F HA 0.178 4.705 4.527 -0.000 0.000 0.312 286 F C -2.223 173.566 175.800 -0.018 0.000 1.108 286 F CA -0.913 57.026 58.000 -0.101 0.000 1.005 286 F CB 1.403 40.173 39.000 -0.385 0.000 1.277 286 F HN -0.286 nan 8.300 nan 0.000 0.445 287 Q N 5.772 125.024 119.800 -0.913 0.000 2.303 287 Q HA 0.442 4.781 4.340 -0.001 0.000 0.267 287 Q C 0.367 175.661 176.000 -1.177 0.000 1.011 287 Q CA -0.521 54.850 55.803 -0.720 0.000 0.740 287 Q CB 2.238 30.767 28.738 -0.349 0.000 1.250 287 Q HN 0.826 nan 8.270 nan 0.000 0.458 288 L N 1.145 121.741 121.223 -1.045 0.000 2.012 288 L HA -0.046 4.293 4.340 -0.001 0.000 0.210 288 L C -0.071 176.290 176.870 -0.849 0.000 1.073 288 L CA 1.418 55.563 54.840 -1.158 0.000 0.748 288 L CB 0.153 41.340 42.059 -1.453 0.000 0.891 288 L HN 0.615 nan 8.230 nan 0.000 0.431 289 F N 0.029 119.776 119.950 -0.339 0.000 2.309 289 F HA 0.575 5.099 4.527 -0.006 0.000 0.366 289 F C 0.572 176.264 175.800 -0.179 0.000 1.104 289 F CA -0.767 57.113 58.000 -0.200 0.000 1.179 289 F CB 0.576 39.452 39.000 -0.206 0.000 1.437 289 F HN -0.095 nan 8.300 nan 0.000 0.528 290 G N 0.518 109.296 108.800 -0.036 0.000 2.433 290 G HA2 0.426 4.386 3.960 -0.001 0.000 0.306 290 G HA3 0.426 4.386 3.960 -0.001 0.000 0.306 290 G C -1.657 173.208 174.900 -0.059 0.000 1.627 290 G CA -0.780 44.285 45.100 -0.059 0.000 0.893 290 G HN 0.312 nan 8.290 nan 0.000 0.648 291 S N 1.212 116.901 115.700 -0.018 0.000 2.513 291 S HA 0.782 5.251 4.470 -0.001 0.000 0.299 291 S C -2.392 172.208 174.600 -0.001 0.000 1.087 291 S CA -0.841 57.358 58.200 -0.002 0.000 1.012 291 S CB 2.014 65.227 63.200 0.021 0.000 1.044 291 S HN 0.552 nan 8.310 nan 0.000 0.485 292 P HA 0.199 nan 4.420 nan 0.000 0.268 292 P C 0.766 178.076 177.300 0.016 0.000 1.205 292 P CA -0.027 63.081 63.100 0.014 0.000 0.771 292 P CB 0.509 32.224 31.700 0.025 0.000 0.858 293 S N 2.480 118.188 115.700 0.014 0.000 2.429 293 S HA -0.238 4.232 4.470 -0.001 0.000 0.251 293 S C 1.683 176.293 174.600 0.017 0.000 1.104 293 S CA 2.224 60.432 58.200 0.014 0.000 1.130 293 S CB -0.934 62.273 63.200 0.013 0.000 1.000 293 S HN 0.774 nan 8.310 nan 0.000 0.449 294 G N 0.573 109.384 108.800 0.019 0.000 3.502 294 G HA2 0.300 4.260 3.960 -0.001 0.000 0.267 294 G HA3 0.300 4.260 3.960 -0.001 0.000 0.267 294 G C -0.151 174.764 174.900 0.025 0.000 1.090 294 G CA -0.344 44.768 45.100 0.020 0.000 0.795 294 G HN 0.398 nan 8.290 nan 0.000 0.535 295 Q N 0.250 120.066 119.800 0.026 0.000 2.309 295 Q HA 0.585 4.924 4.340 -0.001 0.000 0.264 295 Q C -1.114 174.907 176.000 0.035 0.000 1.008 295 Q CA -0.583 55.239 55.803 0.031 0.000 0.853 295 Q CB 2.619 31.376 28.738 0.032 0.000 1.314 295 Q HN -0.057 nan 8.270 nan 0.000 0.448 296 K N 1.478 121.905 120.400 0.044 0.000 2.324 296 K HA 0.203 4.523 4.320 -0.001 0.000 0.253 296 K C -1.220 175.421 176.600 0.068 0.000 0.932 296 K CA -0.435 55.883 56.287 0.053 0.000 0.799 296 K CB 1.077 33.611 32.500 0.057 0.000 1.154 296 K HN 0.449 nan 8.250 nan 0.000 0.425 297 D N 2.452 122.900 120.400 0.080 0.000 2.886 297 D HA -0.222 4.418 4.640 -0.001 0.000 0.221 297 D C -0.644 175.719 176.300 0.105 0.000 1.227 297 D CA 0.476 54.545 54.000 0.115 0.000 0.746 297 D CB -0.543 40.345 40.800 0.147 0.000 0.935 297 D HN 0.134 nan 8.370 nan 0.000 0.399 298 L N 1.511 122.777 121.223 0.073 0.000 2.433 298 L HA 0.100 4.440 4.340 -0.001 0.000 0.275 298 L C 1.763 178.631 176.870 -0.004 0.000 1.128 298 L CA 0.443 55.305 54.840 0.037 0.000 0.875 298 L CB 0.103 42.179 42.059 0.029 0.000 1.171 298 L HN 0.441 nan 8.230 nan 0.000 0.463 299 L N 1.198 122.386 121.223 -0.059 0.000 3.370 299 L HA -0.377 3.962 4.340 -0.001 0.000 0.308 299 L C 0.013 176.618 176.870 -0.442 0.000 4.222 299 L CA 1.419 56.087 54.840 -0.288 0.000 1.163 299 L CB -1.270 40.505 42.059 -0.473 0.000 3.373 299 L HN 0.371 nan 8.230 nan 0.000 0.809 300 F N -0.511 119.540 119.950 0.167 0.000 2.613 300 F HA 0.526 5.056 4.527 0.005 0.000 0.342 300 F C 0.675 176.633 175.800 0.263 0.000 1.066 300 F CA -0.746 57.438 58.000 0.305 0.000 1.002 300 F CB 0.740 39.997 39.000 0.428 0.000 1.319 300 F HN -0.204 nan 8.300 nan 0.000 0.495 301 K N 1.017 121.702 120.400 0.475 0.000 2.270 301 K HA 0.081 4.401 4.320 -0.001 0.000 0.276 301 K C 0.015 176.726 176.600 0.185 0.000 1.023 301 K CA -0.193 56.248 56.287 0.256 0.000 0.955 301 K CB 0.733 33.312 32.500 0.131 0.000 0.975 301 K HN 0.568 nan 8.250 nan 0.000 0.471 302 D N 0.681 121.144 120.400 0.105 0.000 2.348 302 D HA -0.099 4.541 4.640 -0.001 0.000 0.216 302 D C 1.238 177.543 176.300 0.009 0.000 0.970 302 D CA 0.943 54.992 54.000 0.082 0.000 0.889 302 D CB 0.183 41.012 40.800 0.048 0.000 0.912 302 D HN 0.433 nan 8.370 nan 0.000 0.524 303 S N 0.010 115.680 115.700 -0.050 0.000 2.562 303 S HA 0.266 4.735 4.470 -0.001 0.000 0.221 303 S C 1.161 175.694 174.600 -0.111 0.000 0.975 303 S CA -0.302 57.833 58.200 -0.109 0.000 0.918 303 S CB 0.086 63.172 63.200 -0.191 0.000 0.772 303 S HN 0.264 nan 8.310 nan 0.000 0.531 304 A N 2.261 124.990 122.820 -0.152 0.000 2.445 304 A HA 0.589 4.909 4.320 -0.001 0.000 0.242 304 A C 0.931 177.982 177.584 -0.888 0.000 1.075 304 A CA -0.377 51.408 52.037 -0.419 0.000 0.777 304 A CB -0.176 18.446 19.000 -0.629 0.000 1.013 304 A HN 0.749 nan 8.150 nan 0.000 0.493 305 I N -1.232 118.870 120.570 -0.779 0.000 4.240 305 I HA 0.603 4.772 4.170 -0.001 0.000 0.331 305 I C 0.485 176.262 176.117 -0.567 0.000 1.381 305 I CA 0.276 61.231 61.300 -0.575 0.000 1.136 305 I CB 0.123 37.968 38.000 -0.258 0.000 1.137 305 I HN 0.828 nan 8.210 nan 0.000 0.411 306 G N 1.062 109.336 108.800 -0.877 0.000 2.327 306 G HA2 0.388 4.347 3.960 -0.001 0.000 0.291 306 G HA3 0.388 4.347 3.960 -0.001 0.000 0.291 306 G C -1.922 172.577 174.900 -0.669 0.000 1.290 306 G CA -0.726 44.073 45.100 -0.501 0.000 0.857 306 G HN 0.069 nan 8.290 nan 0.000 0.520 307 F N -0.278 119.732 119.950 0.100 0.000 2.599 307 F HA 0.786 5.313 4.527 0.001 0.000 0.311 307 F C 0.335 176.369 175.800 0.391 0.000 1.076 307 F CA -0.915 57.226 58.000 0.235 0.000 0.937 307 F CB 2.753 41.955 39.000 0.338 0.000 1.282 307 F HN 0.369 nan 8.300 nan 0.000 0.460 308 S N 1.182 117.228 115.700 0.576 0.000 2.552 308 S HA 0.410 4.879 4.470 -0.001 0.000 0.314 308 S C -0.440 174.292 174.600 0.221 0.000 1.099 308 S CA -0.702 57.742 58.200 0.407 0.000 1.070 308 S CB 1.015 64.447 63.200 0.387 0.000 0.998 308 S HN 0.589 nan 8.310 nan 0.000 0.474 309 R N 2.874 123.184 120.500 -0.318 0.000 2.421 309 R HA 0.182 4.521 4.340 -0.001 0.000 0.305 309 R C 0.065 176.111 176.300 -0.424 0.000 1.039 309 R CA -0.162 55.525 56.100 -0.687 0.000 1.003 309 R CB 0.150 29.616 30.300 -1.391 0.000 0.959 309 R HN 0.495 nan 8.270 nan 0.000 0.427 310 V N 4.483 124.159 119.914 -0.397 0.000 2.530 310 V HA 0.421 4.541 4.120 -0.001 0.000 0.282 310 V C -2.256 173.494 176.094 -0.572 0.000 1.048 310 V CA -2.168 59.711 62.300 -0.702 0.000 0.997 310 V CB 0.964 32.553 31.823 -0.389 0.000 0.987 310 V HN 0.724 nan 8.190 nan 0.000 0.477 311 P HA 0.147 nan 4.420 nan 0.000 0.266 311 P C -2.004 175.136 177.300 -0.266 0.000 1.193 311 P CA -1.007 61.870 63.100 -0.371 0.000 0.770 311 P CB -0.006 31.508 31.700 -0.309 0.000 0.836 312 P HA -0.141 nan 4.420 nan 0.000 0.222 312 P C 1.232 178.463 177.300 -0.116 0.000 1.147 312 P CA 1.140 64.154 63.100 -0.143 0.000 0.790 312 P CB 0.200 31.831 31.700 -0.116 0.000 0.780 313 R N 0.849 121.282 120.500 -0.113 0.000 2.189 313 R HA 0.084 4.423 4.340 -0.001 0.000 0.218 313 R C 0.951 177.202 176.300 -0.081 0.000 1.074 313 R CA 0.225 56.274 56.100 -0.085 0.000 0.991 313 R CB -1.624 28.634 30.300 -0.070 0.000 0.883 313 R HN 0.169 nan 8.270 nan 0.000 0.457 314 I N 1.531 122.044 120.570 -0.096 0.000 2.556 314 I HA 0.027 4.196 4.170 -0.001 0.000 0.284 314 I C 0.247 176.325 176.117 -0.064 0.000 1.114 314 I CA -0.126 61.138 61.300 -0.060 0.000 1.418 314 I CB 0.684 38.659 38.000 -0.042 0.000 1.394 314 I HN 0.117 nan 8.210 nan 0.000 0.552 315 D N 2.635 123.000 120.400 -0.059 0.000 2.340 315 D HA 0.161 4.801 4.640 -0.001 0.000 0.251 315 D C 1.164 177.420 176.300 -0.075 0.000 1.080 315 D CA -0.134 53.819 54.000 -0.079 0.000 0.971 315 D CB 1.212 41.947 40.800 -0.109 0.000 1.137 315 D HN 0.565 nan 8.370 nan 0.000 0.475 316 S N 0.088 115.732 115.700 -0.094 0.000 2.368 316 S HA -0.103 4.366 4.470 -0.001 0.000 0.225 316 S C 2.112 176.598 174.600 -0.191 0.000 1.030 316 S CA 0.834 58.994 58.200 -0.065 0.000 0.999 316 S CB -0.822 62.353 63.200 -0.041 0.000 0.844 316 S HN 0.576 nan 8.310 nan 0.000 0.459 317 G N 2.237 110.735 108.800 -0.503 0.000 2.459 317 G HA2 -0.100 3.859 3.960 -0.001 0.000 0.217 317 G HA3 -0.100 3.859 3.960 -0.001 0.000 0.217 317 G C 1.464 176.041 174.900 -0.538 0.000 1.183 317 G CA 1.039 45.446 45.100 -1.156 0.000 0.776 317 G HN 0.499 nan 8.290 nan 0.000 0.552 318 L N -1.121 119.949 121.223 -0.255 0.000 2.093 318 L HA -0.041 4.298 4.340 -0.001 0.000 0.208 318 L C 2.566 179.423 176.870 -0.022 0.000 1.085 318 L CA 1.004 55.780 54.840 -0.107 0.000 0.755 318 L CB -0.452 41.575 42.059 -0.052 0.000 0.904 318 L HN 0.286 nan 8.230 nan 0.000 0.435 319 Y N 0.895 121.142 120.300 -0.088 0.000 2.097 319 Y HA -0.272 4.277 4.550 -0.002 0.000 0.282 319 Y C 2.328 178.224 175.900 -0.006 0.000 1.152 319 Y CA 1.749 59.850 58.100 0.002 0.000 1.136 319 Y CB -0.145 38.323 38.460 0.013 0.000 0.975 319 Y HN -0.002 nan 8.280 nan 0.000 0.498 320 L N -0.552 120.663 121.223 -0.014 0.000 2.156 320 L HA 0.134 4.474 4.340 -0.001 0.000 0.208 320 L C 1.225 178.096 176.870 0.002 0.000 1.095 320 L CA 0.602 55.399 54.840 -0.071 0.000 0.770 320 L CB -1.125 40.852 42.059 -0.136 0.000 0.914 320 L HN 0.464 nan 8.230 nan 0.000 0.439 321 G N -0.800 107.987 108.800 -0.022 0.000 2.662 321 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.686 321 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.686 321 G C 0.473 175.453 174.900 0.134 0.000 1.271 321 G CA -0.226 44.903 45.100 0.047 0.000 0.816 321 G HN 0.119 nan 8.290 nan 0.000 0.608 322 S N -0.177 115.608 115.700 0.142 0.000 2.387 322 S HA 0.119 4.589 4.470 -0.001 0.000 0.226 322 S C 2.600 177.322 174.600 0.204 0.000 1.026 322 S CA 1.854 60.167 58.200 0.189 0.000 0.972 322 S CB -0.420 62.859 63.200 0.131 0.000 0.814 322 S HN 2.009 nan 8.310 nan 0.000 0.477 323 G N 1.075 109.989 108.800 0.190 0.000 2.480 323 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.216 323 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.216 323 G C 1.338 176.359 174.900 0.202 0.000 1.200 323 G CA 1.044 46.248 45.100 0.173 0.000 0.782 323 G HN 0.440 nan 8.290 nan 0.000 0.554 324 Y N 0.523 120.872 120.300 0.081 0.000 2.114 324 Y HA -0.044 4.505 4.550 -0.002 0.000 0.284 324 Y C 2.458 178.435 175.900 0.128 0.000 1.143 324 Y CA 0.644 58.784 58.100 0.067 0.000 1.135 324 Y CB -0.975 37.514 38.460 0.047 0.000 0.980 324 Y HN 0.180 nan 8.280 nan 0.000 0.499 325 F N 0.914 120.940 119.950 0.127 0.000 2.091 325 F HA -0.255 4.272 4.527 -0.000 0.000 0.299 325 F C 2.761 178.575 175.800 0.023 0.000 1.103 325 F CA 2.498 60.526 58.000 0.047 0.000 1.228 325 F CB -1.063 37.983 39.000 0.077 0.000 0.984 325 F HN 0.199 nan 8.300 nan 0.000 0.477 326 T N -1.851 112.765 114.554 0.104 0.000 2.951 326 T HA 0.013 4.362 4.350 -0.001 0.000 0.268 326 T C 2.124 176.780 174.700 -0.074 0.000 1.073 326 T CA 0.876 62.948 62.100 -0.047 0.000 1.134 326 T CB -0.872 68.006 68.868 0.017 0.000 0.884 326 T HN 0.221 nan 8.240 nan 0.000 0.479 327 A N 1.777 124.593 122.820 -0.008 0.000 1.877 327 A HA 0.110 4.429 4.320 -0.001 0.000 0.216 327 A C 2.335 179.860 177.584 -0.098 0.000 1.186 327 A CA 1.470 53.478 52.037 -0.047 0.000 0.620 327 A CB -0.854 18.141 19.000 -0.009 0.000 0.822 327 A HN 0.574 nan 8.150 nan 0.000 0.443 328 I N -0.103 120.392 120.570 -0.126 0.000 2.179 328 I HA -0.337 3.832 4.170 -0.001 0.000 0.242 328 I C 2.782 178.688 176.117 -0.351 0.000 1.088 328 I CA 1.718 62.838 61.300 -0.300 0.000 1.357 328 I CB -0.477 37.146 38.000 -0.628 0.000 1.051 328 I HN 0.433 nan 8.210 nan 0.000 0.409 329 Q N 0.328 119.903 119.800 -0.375 0.000 2.170 329 Q HA -0.183 4.157 4.340 -0.001 0.000 0.203 329 Q C 1.910 177.821 176.000 -0.149 0.000 0.976 329 Q CA 1.216 56.864 55.803 -0.258 0.000 0.858 329 Q CB -0.414 28.166 28.738 -0.263 0.000 0.907 329 Q HN 0.509 nan 8.270 nan 0.000 0.433 330 N N 0.834 119.456 118.700 -0.130 0.000 2.149 330 N HA -0.120 4.620 4.740 -0.001 0.000 0.188 330 N C 1.440 176.941 175.510 -0.014 0.000 1.019 330 N CA 0.846 53.845 53.050 -0.085 0.000 0.857 330 N CB -0.147 38.274 38.487 -0.109 0.000 0.997 330 N HN 0.124 nan 8.380 nan 0.000 0.426 331 L N 0.524 121.737 121.223 -0.016 0.000 2.465 331 L HA 0.032 4.372 4.340 -0.001 0.000 0.224 331 L C 1.902 178.860 176.870 0.146 0.000 1.145 331 L CA 1.092 55.980 54.840 0.080 0.000 0.834 331 L CB -0.299 41.746 42.059 -0.024 0.000 0.944 331 L HN 0.063 nan 8.230 nan 0.000 0.451 332 R N -1.167 119.358 120.500 0.042 0.000 2.102 332 R HA 0.126 4.465 4.340 -0.001 0.000 0.208 332 R C 0.533 176.827 176.300 -0.009 0.000 1.131 332 R CA -0.099 56.021 56.100 0.033 0.000 1.054 332 R CB 0.128 30.431 30.300 0.004 0.000 0.954 332 R HN 0.105 nan 8.270 nan 0.000 0.465 333 K N 1.905 122.281 120.400 -0.040 0.000 2.561 333 K HA -0.046 4.274 4.320 -0.001 0.000 0.280 333 K C 0.198 176.722 176.600 -0.126 0.000 0.975 333 K CA 0.355 56.598 56.287 -0.074 0.000 1.024 333 K CB 0.445 32.901 32.500 -0.074 0.000 0.883 333 K HN 0.207 nan 8.250 nan 0.000 0.496 334 S N 0.608 116.229 115.700 -0.133 0.000 2.596 334 S HA -0.049 4.420 4.470 -0.001 0.000 0.260 334 S C 1.173 175.667 174.600 -0.177 0.000 1.336 334 S CA -0.458 57.631 58.200 -0.184 0.000 0.993 334 S CB 1.233 64.347 63.200 -0.143 0.000 0.923 334 S HN 0.810 nan 8.310 nan 0.000 0.567 335 E N 0.841 120.919 120.200 -0.204 0.000 2.208 335 E HA -0.200 4.149 4.350 -0.001 0.000 0.193 335 E C 1.711 178.251 176.600 -0.100 0.000 0.988 335 E CA 1.207 57.520 56.400 -0.146 0.000 0.828 335 E CB -0.148 29.464 29.700 -0.147 0.000 0.763 335 E HN 0.834 nan 8.360 nan 0.000 0.478 336 E N 0.972 121.115 120.200 -0.096 0.000 2.107 336 E HA -0.209 4.141 4.350 -0.001 0.000 0.191 336 E C 1.701 178.262 176.600 -0.065 0.000 0.982 336 E CA 0.946 57.304 56.400 -0.070 0.000 0.809 336 E CB -0.358 29.305 29.700 -0.062 0.000 0.756 336 E HN 0.395 nan 8.360 nan 0.000 0.459 337 E N 0.751 120.907 120.200 -0.073 0.000 2.106 337 E HA -0.097 4.253 4.350 -0.001 0.000 0.192 337 E C 2.234 178.795 176.600 -0.066 0.000 0.984 337 E CA 1.131 57.492 56.400 -0.066 0.000 0.806 337 E CB 0.153 29.812 29.700 -0.068 0.000 0.750 337 E HN 0.081 nan 8.360 nan 0.000 0.458 338 V N 1.016 120.884 119.914 -0.077 0.000 2.358 338 V HA -0.245 3.874 4.120 -0.001 0.000 0.246 338 V C 2.223 178.274 176.094 -0.073 0.000 1.047 338 V CA 1.645 63.896 62.300 -0.083 0.000 1.035 338 V CB -0.640 31.125 31.823 -0.098 0.000 0.658 338 V HN 0.319 nan 8.190 nan 0.000 0.452 339 A N 0.463 123.245 122.820 -0.063 0.000 1.842 339 A HA -0.224 4.096 4.320 -0.001 0.000 0.217 339 A C 2.496 180.058 177.584 -0.036 0.000 1.206 339 A CA 2.646 54.657 52.037 -0.045 0.000 0.630 339 A CB -1.265 17.714 19.000 -0.036 0.000 0.839 339 A HN 0.590 nan 8.150 nan 0.000 0.447 340 A N -0.447 122.351 122.820 -0.038 0.000 1.884 340 A HA -0.290 4.029 4.320 -0.001 0.000 0.219 340 A C 2.212 179.777 177.584 -0.032 0.000 1.197 340 A CA 2.859 54.876 52.037 -0.033 0.000 0.637 340 A CB -0.545 18.433 19.000 -0.037 0.000 0.827 340 A HN 0.527 nan 8.150 nan 0.000 0.450 341 R N 0.544 121.022 120.500 -0.038 0.000 2.148 341 R HA -0.089 4.250 4.340 -0.001 0.000 0.227 341 R C 2.158 178.440 176.300 -0.029 0.000 1.103 341 R CA 1.749 57.828 56.100 -0.034 0.000 0.983 341 R CB -0.461 29.815 30.300 -0.040 0.000 0.874 341 R HN 0.716 nan 8.270 nan 0.000 0.451 342 R N -1.032 119.448 120.500 -0.033 0.000 2.276 342 R HA 0.238 4.577 4.340 -0.001 0.000 0.196 342 R C 1.595 177.894 176.300 -0.003 0.000 0.961 342 R CA 0.909 56.996 56.100 -0.022 0.000 1.024 342 R CB -0.087 30.190 30.300 -0.038 0.000 0.940 342 R HN 0.144 nan 8.270 nan 0.000 0.480 343 A N 2.243 125.059 122.820 -0.007 0.000 1.935 343 A HA -0.025 4.294 4.320 -0.001 0.000 0.214 343 A C 1.264 178.847 177.584 -0.002 0.000 1.178 343 A CA 0.323 52.359 52.037 -0.001 0.000 0.640 343 A CB -0.249 18.746 19.000 -0.008 0.000 0.825 343 A HN 0.461 nan 8.150 nan 0.000 0.447 344 R N -0.191 120.302 120.500 -0.011 0.000 2.582 344 R HA 0.440 4.780 4.340 -0.001 0.000 0.271 344 R C -1.424 174.877 176.300 0.001 0.000 1.078 344 R CA -0.212 55.879 56.100 -0.016 0.000 1.127 344 R CB 0.690 30.972 30.300 -0.029 0.000 1.038 344 R HN -0.024 nan 8.270 nan 0.000 0.500 345 V N 4.458 124.375 119.914 0.005 0.000 2.347 345 V HA 0.236 4.356 4.120 -0.001 0.000 0.280 345 V C -0.447 175.665 176.094 0.030 0.000 1.021 345 V CA -0.757 61.571 62.300 0.047 0.000 0.847 345 V CB 1.616 33.509 31.823 0.117 0.000 0.990 345 V HN 0.601 nan 8.190 nan 0.000 0.444 346 V N 5.161 125.094 119.914 0.032 0.000 2.333 346 V HA 0.299 4.418 4.120 -0.001 0.000 0.274 346 V C -0.087 176.042 176.094 0.058 0.000 1.028 346 V CA -0.592 61.722 62.300 0.023 0.000 0.851 346 V CB 1.227 33.047 31.823 -0.005 0.000 1.000 346 V HN 0.852 nan 8.190 nan 0.000 0.456 347 W N 5.067 126.310 121.300 -0.095 0.000 2.313 347 W HA 0.419 5.079 4.660 -0.000 0.000 0.328 347 W C -0.342 176.159 176.519 -0.030 0.000 1.197 347 W CA -0.543 56.774 57.345 -0.047 0.000 1.235 347 W CB 1.710 31.137 29.460 -0.056 0.000 1.158 347 W HN 0.580 nan 8.180 nan 0.000 0.578 348 c N 5.468 123.861 118.600 -0.345 0.000 2.281 348 c HA 0.722 5.292 4.570 -0.001 0.000 0.323 348 c C 0.248 174.331 174.090 -0.012 0.000 1.270 348 c CA -0.372 55.874 56.329 -0.138 0.000 1.559 348 c CB -0.659 41.735 42.510 -0.194 0.000 2.239 348 c HN 0.593 nan 8.230 nan 0.000 0.488 349 A N 5.242 128.126 122.820 0.106 0.000 2.301 349 A HA 0.613 4.933 4.320 -0.001 0.000 0.298 349 A C -0.350 177.262 177.584 0.047 0.000 1.185 349 A CA -0.261 51.861 52.037 0.141 0.000 0.830 349 A CB 0.570 19.658 19.000 0.147 0.000 1.112 349 A HN 0.871 nan 8.150 nan 0.000 0.508 350 V N 3.035 122.971 119.914 0.036 0.000 2.304 350 V HA 0.611 4.731 4.120 -0.001 0.000 0.262 350 V C 0.806 176.892 176.094 -0.014 0.000 1.061 350 V CA 0.909 63.199 62.300 -0.017 0.000 0.872 350 V CB -0.600 31.198 31.823 -0.040 0.000 1.077 350 V HN 1.827 nan 8.190 nan 0.000 0.480 351 G N 4.328 113.113 108.800 -0.025 0.000 2.619 351 G HA2 -0.091 3.869 3.960 -0.001 0.000 0.686 351 G HA3 -0.091 3.869 3.960 -0.001 0.000 0.686 351 G C -0.041 174.863 174.900 0.007 0.000 1.256 351 G CA -0.219 44.866 45.100 -0.025 0.000 0.826 351 G HN 0.576 nan 8.290 nan 0.000 0.619 352 E N 0.020 120.221 120.200 0.003 0.000 2.152 352 E HA -0.028 4.321 4.350 -0.001 0.000 0.192 352 E C 2.621 179.242 176.600 0.036 0.000 0.983 352 E CA 1.831 58.241 56.400 0.016 0.000 0.818 352 E CB 0.001 29.705 29.700 0.007 0.000 0.758 352 E HN 0.630 nan 8.360 nan 0.000 0.467 353 Q N 0.414 120.242 119.800 0.045 0.000 2.123 353 Q HA -0.109 4.230 4.340 -0.001 0.000 0.199 353 Q C 1.817 177.869 176.000 0.086 0.000 0.966 353 Q CA 1.051 56.895 55.803 0.067 0.000 0.845 353 Q CB 0.068 28.854 28.738 0.079 0.000 0.907 353 Q HN 0.309 nan 8.270 nan 0.000 0.439 354 E N 0.307 120.562 120.200 0.091 0.000 2.204 354 E HA -0.155 4.194 4.350 -0.001 0.000 0.194 354 E C 1.771 178.440 176.600 0.115 0.000 0.989 354 E CA 0.553 57.023 56.400 0.117 0.000 0.824 354 E CB 0.043 29.822 29.700 0.132 0.000 0.756 354 E HN 0.193 nan 8.360 nan 0.000 0.477 355 L N 0.704 121.977 121.223 0.083 0.000 2.240 355 L HA -0.006 4.333 4.340 -0.001 0.000 0.211 355 L C 2.085 178.991 176.870 0.060 0.000 1.106 355 L CA 1.258 56.142 54.840 0.073 0.000 0.793 355 L CB -0.036 42.051 42.059 0.046 0.000 0.927 355 L HN -0.171 nan 8.230 nan 0.000 0.446 356 R N 0.036 120.571 120.500 0.058 0.000 2.073 356 R HA -0.181 4.158 4.340 -0.001 0.000 0.234 356 R C 2.360 178.695 176.300 0.058 0.000 1.134 356 R CA 1.996 58.125 56.100 0.048 0.000 0.952 356 R CB -0.350 29.981 30.300 0.051 0.000 0.850 356 R HN 0.360 nan 8.270 nan 0.000 0.433 357 K N -0.267 120.193 120.400 0.100 0.000 2.026 357 K HA -0.188 4.131 4.320 -0.001 0.000 0.208 357 K C 2.188 178.876 176.600 0.146 0.000 1.048 357 K CA 1.723 58.103 56.287 0.155 0.000 0.929 357 K CB -0.448 32.167 32.500 0.192 0.000 0.713 357 K HN 0.283 nan 8.250 nan 0.000 0.439 358 c N 1.542 120.230 118.600 0.147 0.000 2.413 358 c HA -0.096 4.474 4.570 -0.001 0.000 0.276 358 c C 2.477 176.572 174.090 0.008 0.000 1.248 358 c CA 1.256 57.673 56.329 0.146 0.000 1.742 358 c CB -1.330 41.270 42.510 0.149 0.000 2.017 358 c HN 0.570 nan 8.230 nan 0.000 0.481 359 N N 0.195 118.886 118.700 -0.014 0.000 2.069 359 N HA -0.160 4.580 4.740 -0.001 0.000 0.191 359 N C 1.869 177.303 175.510 -0.127 0.000 1.031 359 N CA 1.383 54.394 53.050 -0.066 0.000 0.852 359 N CB -0.675 37.793 38.487 -0.033 0.000 1.018 359 N HN 0.701 nan 8.380 nan 0.000 0.423 360 Q N -0.892 118.820 119.800 -0.147 0.000 2.030 360 Q HA -0.179 4.160 4.340 -0.001 0.000 0.204 360 Q C 1.912 177.594 176.000 -0.530 0.000 0.986 360 Q CA 1.361 57.000 55.803 -0.273 0.000 0.843 360 Q CB -0.236 28.369 28.738 -0.222 0.000 0.904 360 Q HN 0.453 nan 8.270 nan 0.000 0.420 361 W N 0.731 121.509 121.300 -0.870 0.000 2.335 361 W HA -0.185 4.474 4.660 -0.001 0.000 0.311 361 W C 2.475 178.674 176.519 -0.534 0.000 1.213 361 W CA 1.783 58.505 57.345 -1.039 0.000 1.274 361 W CB -1.103 28.006 29.460 -0.585 0.000 1.148 361 W HN 0.110 nan 8.180 nan 0.000 0.498 362 S N 0.179 115.671 115.700 -0.346 0.000 2.374 362 S HA -0.146 4.324 4.470 -0.001 0.000 0.227 362 S C 2.188 176.654 174.600 -0.224 0.000 1.037 362 S CA 2.322 60.301 58.200 -0.367 0.000 1.024 362 S CB -1.189 61.850 63.200 -0.268 0.000 0.861 362 S HN 0.375 nan 8.310 nan 0.000 0.456 363 G N 1.180 109.868 108.800 -0.188 0.000 2.469 363 G HA2 -0.142 3.817 3.960 -0.001 0.000 0.219 363 G HA3 -0.142 3.817 3.960 -0.001 0.000 0.219 363 G C 1.143 175.994 174.900 -0.081 0.000 1.150 363 G CA 0.962 45.988 45.100 -0.125 0.000 0.763 363 G HN 0.511 nan 8.290 nan 0.000 0.561 364 L N 1.612 122.777 121.223 -0.096 0.000 2.607 364 L HA 0.185 4.525 4.340 -0.001 0.000 0.228 364 L C 2.620 179.616 176.870 0.210 0.000 1.123 364 L CA 1.041 55.908 54.840 0.044 0.000 0.890 364 L CB 0.024 42.062 42.059 -0.035 0.000 1.103 364 L HN 0.392 nan 8.230 nan 0.000 0.468 365 S N -1.062 114.704 115.700 0.110 0.000 2.603 365 S HA -0.059 4.410 4.470 -0.001 0.000 0.229 365 S C 0.640 175.317 174.600 0.128 0.000 0.972 365 S CA -0.050 58.256 58.200 0.177 0.000 0.935 365 S CB -0.482 62.683 63.200 -0.057 0.000 0.769 365 S HN 0.457 nan 8.310 nan 0.000 0.536 366 E N 0.325 120.580 120.200 0.091 0.000 2.230 366 E HA -0.157 4.192 4.350 -0.001 0.000 0.206 366 E C 0.849 177.458 176.600 0.015 0.000 1.309 366 E CA 0.320 56.755 56.400 0.059 0.000 0.697 366 E CB -1.891 27.858 29.700 0.082 0.000 1.146 366 E HN 0.874 nan 8.360 nan 0.000 0.363 367 G N -0.201 108.592 108.800 -0.012 0.000 2.205 367 G HA2 -0.457 3.503 3.960 -0.001 0.000 0.269 367 G HA3 -0.457 3.503 3.960 -0.001 0.000 0.269 367 G C 0.902 175.772 174.900 -0.051 0.000 0.977 367 G CA 1.152 46.230 45.100 -0.036 0.000 0.652 367 G HN 0.953 nan 8.290 nan 0.000 0.539 368 S N -1.642 114.029 115.700 -0.049 0.000 2.558 368 S HA 0.537 5.007 4.470 -0.001 0.000 0.217 368 S C 0.523 175.065 174.600 -0.097 0.000 0.975 368 S CA 0.625 58.792 58.200 -0.055 0.000 0.912 368 S CB 0.930 64.113 63.200 -0.029 0.000 0.776 368 S HN 0.876 nan 8.310 nan 0.000 0.526 369 V N 1.179 120.976 119.914 -0.195 0.000 2.577 369 V HA 0.672 4.791 4.120 -0.001 0.000 0.303 369 V C -0.360 175.552 176.094 -0.303 0.000 1.042 369 V CA -0.465 61.626 62.300 -0.348 0.000 0.872 369 V CB 1.679 32.985 31.823 -0.861 0.000 0.998 369 V HN 0.348 nan 8.190 nan 0.000 0.423 370 T N 3.578 118.007 114.554 -0.208 0.000 2.916 370 T HA 0.662 5.011 4.350 -0.001 0.000 0.292 370 T C -0.886 173.767 174.700 -0.079 0.000 1.055 370 T CA -0.217 61.804 62.100 -0.131 0.000 1.009 370 T CB 1.401 70.223 68.868 -0.078 0.000 1.118 370 T HN 0.791 nan 8.240 nan 0.000 0.497 371 c N 2.639 121.214 118.600 -0.041 0.000 2.561 371 c HA 0.931 5.501 4.570 -0.001 0.000 0.319 371 c C 0.097 174.196 174.090 0.015 0.000 1.198 371 c CA -0.821 55.520 56.329 0.021 0.000 1.665 371 c CB 0.926 43.453 42.510 0.027 0.000 2.258 371 c HN 1.011 nan 8.230 nan 0.000 0.493 372 S N 1.123 116.840 115.700 0.028 0.000 2.632 372 S HA 0.959 5.429 4.470 -0.001 0.000 0.289 372 S C -0.738 173.868 174.600 0.010 0.000 1.115 372 S CA -0.424 57.779 58.200 0.005 0.000 0.889 372 S CB 1.749 64.943 63.200 -0.010 0.000 1.116 372 S HN 1.224 nan 8.310 nan 0.000 0.486 373 S N -0.164 115.533 115.700 -0.004 0.000 2.607 373 S HA 0.971 5.440 4.470 -0.001 0.000 0.273 373 S C -0.710 173.873 174.600 -0.028 0.000 1.148 373 S CA -0.600 57.596 58.200 -0.008 0.000 0.833 373 S CB 1.171 64.373 63.200 0.003 0.000 1.130 373 S HN 1.996 nan 8.310 nan 0.000 0.470 374 A N 0.315 123.112 122.820 -0.038 0.000 2.602 374 A HA 0.832 5.152 4.320 -0.001 0.000 0.290 374 A C 0.298 177.845 177.584 -0.062 0.000 1.114 374 A CA -0.535 51.470 52.037 -0.054 0.000 0.683 374 A CB 0.927 19.888 19.000 -0.065 0.000 1.281 374 A HN 0.795 nan 8.150 nan 0.000 0.416 375 S N -0.419 115.238 115.700 -0.072 0.000 2.501 375 S HA 0.187 4.657 4.470 -0.001 0.000 0.220 375 S C 0.789 175.322 174.600 -0.112 0.000 0.997 375 S CA 1.277 59.426 58.200 -0.086 0.000 0.919 375 S CB -0.187 62.967 63.200 -0.076 0.000 0.778 375 S HN 1.323 nan 8.310 nan 0.000 0.523 376 T N -3.328 111.159 114.554 -0.112 0.000 2.841 376 T HA 0.363 4.712 4.350 -0.001 0.000 0.296 376 T C 0.762 175.365 174.700 -0.161 0.000 1.166 376 T CA -0.539 61.481 62.100 -0.133 0.000 1.007 376 T CB 1.207 70.010 68.868 -0.109 0.000 1.253 376 T HN -0.212 nan 8.240 nan 0.000 0.511 377 T N 0.618 115.035 114.554 -0.228 0.000 2.737 377 T HA -0.028 4.321 4.350 -0.001 0.000 0.265 377 T C 1.689 176.213 174.700 -0.293 0.000 1.038 377 T CA 1.633 63.513 62.100 -0.366 0.000 1.144 377 T CB -0.388 67.991 68.868 -0.816 0.000 0.866 377 T HN 0.748 nan 8.240 nan 0.000 0.434 378 E N 0.938 121.009 120.200 -0.215 0.000 2.160 378 E HA -0.173 4.176 4.350 -0.001 0.000 0.195 378 E C 1.872 178.408 176.600 -0.106 0.000 0.991 378 E CA 1.121 57.449 56.400 -0.121 0.000 0.810 378 E CB -0.131 29.534 29.700 -0.059 0.000 0.742 378 E HN 0.407 nan 8.360 nan 0.000 0.466 379 D N -0.007 120.329 120.400 -0.107 0.000 2.144 379 D HA -0.101 4.538 4.640 -0.001 0.000 0.200 379 D C 1.874 178.117 176.300 -0.095 0.000 0.978 379 D CA 0.624 54.570 54.000 -0.089 0.000 0.833 379 D CB -0.361 40.390 40.800 -0.081 0.000 0.961 379 D HN 0.178 nan 8.370 nan 0.000 0.470 380 c N 0.265 118.793 118.600 -0.120 0.000 2.446 380 c HA -0.010 4.560 4.570 -0.001 0.000 0.277 380 c C 2.797 176.812 174.090 -0.124 0.000 1.275 380 c CA -0.079 56.175 56.329 -0.125 0.000 1.727 380 c CB -0.868 41.550 42.510 -0.154 0.000 2.010 380 c HN 0.329 nan 8.230 nan 0.000 0.486 381 I N 1.418 121.909 120.570 -0.132 0.000 2.118 381 I HA -0.289 3.880 4.170 -0.001 0.000 0.241 381 I C 2.762 178.832 176.117 -0.079 0.000 1.070 381 I CA 1.893 63.129 61.300 -0.107 0.000 1.327 381 I CB -0.653 37.289 38.000 -0.096 0.000 1.034 381 I HN 0.310 nan 8.210 nan 0.000 0.405 382 A N 0.944 123.721 122.820 -0.072 0.000 1.908 382 A HA -0.184 4.135 4.320 -0.001 0.000 0.218 382 A C 2.275 179.827 177.584 -0.053 0.000 1.181 382 A CA 1.585 53.587 52.037 -0.058 0.000 0.627 382 A CB -0.965 17.999 19.000 -0.060 0.000 0.818 382 A HN 0.428 nan 8.150 nan 0.000 0.445 383 L N -0.324 120.865 121.223 -0.055 0.000 2.131 383 L HA -0.144 4.196 4.340 -0.001 0.000 0.210 383 L C 2.587 179.438 176.870 -0.031 0.000 1.092 383 L CA 1.300 56.118 54.840 -0.037 0.000 0.759 383 L CB -0.583 41.450 42.059 -0.044 0.000 0.903 383 L HN 0.438 nan 8.230 nan 0.000 0.435 384 V N -1.086 118.795 119.914 -0.055 0.000 2.535 384 V HA -0.120 3.999 4.120 -0.001 0.000 0.246 384 V C 2.198 178.283 176.094 -0.015 0.000 1.045 384 V CA 1.025 63.297 62.300 -0.047 0.000 1.058 384 V CB -0.122 31.648 31.823 -0.087 0.000 0.689 384 V HN 0.329 nan 8.190 nan 0.000 0.461 385 L N 0.086 121.298 121.223 -0.019 0.000 2.127 385 L HA -0.140 4.200 4.340 -0.001 0.000 0.211 385 L C 2.715 179.599 176.870 0.024 0.000 1.089 385 L CA 2.034 56.874 54.840 -0.001 0.000 0.757 385 L CB -0.638 41.411 42.059 -0.016 0.000 0.899 385 L HN 0.315 nan 8.230 nan 0.000 0.434 386 K N -0.077 120.336 120.400 0.022 0.000 2.486 386 K HA 0.070 4.390 4.320 -0.001 0.000 0.194 386 K C 1.310 178.034 176.600 0.207 0.000 1.033 386 K CA 0.620 56.956 56.287 0.081 0.000 1.004 386 K CB 0.100 32.626 32.500 0.044 0.000 0.798 386 K HN 0.431 nan 8.250 nan 0.000 0.495 387 G N 2.003 110.870 108.800 0.113 0.000 2.155 387 G HA2 -0.332 3.628 3.960 -0.001 0.000 0.257 387 G HA3 -0.332 3.628 3.960 -0.001 0.000 0.257 387 G C 0.594 175.543 174.900 0.083 0.000 0.983 387 G CA 0.761 45.921 45.100 0.100 0.000 0.676 387 G HN 0.484 nan 8.290 nan 0.000 0.528 388 E N -0.324 119.923 120.200 0.079 0.000 2.318 388 E HA 0.518 4.867 4.350 -0.001 0.000 0.193 388 E C 1.403 178.009 176.600 0.011 0.000 0.998 388 E CA 1.013 57.445 56.400 0.053 0.000 0.859 388 E CB 0.059 29.797 29.700 0.064 0.000 0.812 388 E HN 0.947 nan 8.360 nan 0.000 0.492 389 A N -0.263 122.551 122.820 -0.011 0.000 2.479 389 A HA 0.426 4.746 4.320 -0.001 0.000 0.296 389 A C -0.637 176.914 177.584 -0.056 0.000 1.121 389 A CA -0.680 51.330 52.037 -0.045 0.000 0.743 389 A CB 1.373 20.325 19.000 -0.079 0.000 1.323 389 A HN 0.064 nan 8.150 nan 0.000 0.415 390 D N -0.603 119.747 120.400 -0.083 0.000 2.461 390 D HA 0.438 5.077 4.640 -0.001 0.000 0.266 390 D C 0.481 176.691 176.300 -0.150 0.000 1.085 390 D CA 1.372 55.326 54.000 -0.075 0.000 0.887 390 D CB 1.059 41.845 40.800 -0.023 0.000 1.309 390 D HN 0.821 nan 8.370 nan 0.000 0.498 391 A N 0.549 123.184 122.820 -0.308 0.000 2.602 391 A HA 0.820 5.140 4.320 -0.001 0.000 0.290 391 A C -1.370 175.558 177.584 -1.093 0.000 1.114 391 A CA -0.648 51.061 52.037 -0.547 0.000 0.683 391 A CB 1.809 20.545 19.000 -0.440 0.000 1.281 391 A HN 0.092 nan 8.150 nan 0.000 0.416 392 M N -0.995 118.003 119.600 -1.004 0.000 2.853 392 M HA 0.590 5.070 4.480 -0.001 0.000 0.273 392 M C -0.940 175.184 176.300 -0.294 0.000 1.128 392 M CA -0.414 54.342 55.300 -0.907 0.000 0.814 392 M CB 1.438 33.711 32.600 -0.545 0.000 1.667 392 M HN 0.817 nan 8.290 nan 0.000 0.519 393 S N 1.503 117.199 115.700 -0.007 0.000 2.475 393 S HA 0.788 5.257 4.470 -0.001 0.000 0.281 393 S C -0.989 173.696 174.600 0.141 0.000 1.198 393 S CA -0.601 57.709 58.200 0.183 0.000 1.063 393 S CB 0.224 63.604 63.200 0.300 0.000 0.972 393 S HN 0.580 nan 8.310 nan 0.000 0.486 394 L N 3.367 124.672 121.223 0.138 0.000 2.341 394 L HA 0.510 4.849 4.340 -0.001 0.000 0.267 394 L C 0.032 176.911 176.870 0.014 0.000 1.009 394 L CA -1.138 53.768 54.840 0.110 0.000 0.819 394 L CB 1.783 43.919 42.059 0.129 0.000 1.323 394 L HN 0.591 nan 8.230 nan 0.000 0.425 395 D N 0.573 120.882 120.400 -0.151 0.000 2.390 395 D HA 0.062 4.702 4.640 -0.001 0.000 0.236 395 D C 1.259 177.598 176.300 0.064 0.000 1.189 395 D CA 0.882 54.629 54.000 -0.422 0.000 0.887 395 D CB 1.427 42.133 40.800 -0.158 0.000 1.198 395 D HN 0.641 nan 8.370 nan 0.000 0.444 396 G N 1.489 110.419 108.800 0.216 0.000 2.448 396 G HA2 -0.193 3.767 3.960 -0.001 0.000 0.219 396 G HA3 -0.193 3.767 3.960 -0.001 0.000 0.219 396 G C 1.390 176.524 174.900 0.389 0.000 1.127 396 G CA 0.675 45.975 45.100 0.332 0.000 0.766 396 G HN 0.602 nan 8.290 nan 0.000 0.552 397 G N 0.160 109.101 108.800 0.236 0.000 2.446 397 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.217 397 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.217 397 G C 1.511 176.458 174.900 0.078 0.000 1.168 397 G CA 0.924 46.080 45.100 0.093 0.000 0.771 397 G HN 0.468 nan 8.290 nan 0.000 0.551 398 Y N 0.034 120.434 120.300 0.166 0.000 2.544 398 Y HA 0.184 4.734 4.550 -0.001 0.000 0.286 398 Y C 2.707 178.676 175.900 0.115 0.000 1.141 398 Y CA -0.322 57.845 58.100 0.112 0.000 1.299 398 Y CB -0.205 38.285 38.460 0.049 0.000 1.030 398 Y HN 0.043 nan 8.280 nan 0.000 0.543 399 V N -0.749 119.355 119.914 0.316 0.000 2.379 399 V HA -0.304 3.816 4.120 -0.001 0.000 0.245 399 V C 2.093 178.335 176.094 0.247 0.000 1.044 399 V CA 1.796 64.258 62.300 0.269 0.000 1.036 399 V CB -0.782 31.238 31.823 0.329 0.000 0.664 399 V HN 0.453 nan 8.190 nan 0.000 0.453 400 Y N 1.694 122.096 120.300 0.171 0.000 2.070 400 Y HA -0.310 4.239 4.550 -0.002 0.000 0.280 400 Y C 2.686 178.473 175.900 -0.188 0.000 1.148 400 Y CA 2.573 60.696 58.100 0.039 0.000 1.125 400 Y CB -0.805 37.724 38.460 0.116 0.000 0.975 400 Y HN 0.237 nan 8.280 nan 0.000 0.492 401 T N 0.975 115.514 114.554 -0.025 0.000 2.607 401 T HA -0.281 4.068 4.350 -0.001 0.000 0.267 401 T C 2.073 176.669 174.700 -0.172 0.000 1.049 401 T CA 1.994 64.037 62.100 -0.095 0.000 1.162 401 T CB -1.036 67.897 68.868 0.109 0.000 0.863 401 T HN 0.522 nan 8.240 nan 0.000 0.424 402 A N 1.153 123.929 122.820 -0.074 0.000 2.019 402 A HA 0.155 4.474 4.320 -0.001 0.000 0.219 402 A C 2.563 180.035 177.584 -0.187 0.000 1.164 402 A CA 1.745 53.728 52.037 -0.090 0.000 0.644 402 A CB -1.185 17.794 19.000 -0.033 0.000 0.805 402 A HN 0.537 nan 8.150 nan 0.000 0.449 403 G N -0.360 108.225 108.800 -0.359 0.000 2.394 403 G HA2 -0.136 3.824 3.960 -0.001 0.000 0.215 403 G HA3 -0.136 3.824 3.960 -0.001 0.000 0.215 403 G C 1.601 176.070 174.900 -0.718 0.000 1.165 403 G CA 0.734 45.495 45.100 -0.566 0.000 0.784 403 G HN 0.394 nan 8.290 nan 0.000 0.535 404 K N 0.280 120.156 120.400 -0.874 0.000 2.103 404 K HA -0.078 4.242 4.320 -0.001 0.000 0.207 404 K C 2.295 178.751 176.600 -0.240 0.000 1.048 404 K CA 0.889 56.857 56.287 -0.531 0.000 0.930 404 K CB -0.795 31.385 32.500 -0.534 0.000 0.716 404 K HN 0.329 nan 8.250 nan 0.000 0.444 405 c N 0.388 118.872 118.600 -0.194 0.000 2.485 405 c HA 0.068 4.638 4.570 -0.001 0.000 0.283 405 c C 1.584 175.648 174.090 -0.043 0.000 1.478 405 c CA 0.543 56.822 56.329 -0.084 0.000 1.741 405 c CB -1.485 40.981 42.510 -0.074 0.000 1.675 405 c HN 0.736 nan 8.230 nan 0.000 0.573 406 G N -0.080 108.692 108.800 -0.047 0.000 2.176 406 G HA2 -0.216 3.743 3.960 -0.001 0.000 0.253 406 G HA3 -0.216 3.743 3.960 -0.001 0.000 0.253 406 G C 0.027 174.929 174.900 0.002 0.000 0.979 406 G CA -0.157 44.947 45.100 0.007 0.000 0.641 406 G HN 0.512 nan 8.290 nan 0.000 0.530 407 L N 0.583 121.794 121.223 -0.020 0.000 2.379 407 L HA 0.732 5.072 4.340 -0.001 0.000 0.269 407 L C 0.990 177.874 176.870 0.023 0.000 1.084 407 L CA -0.936 53.900 54.840 -0.008 0.000 0.802 407 L CB 1.574 43.616 42.059 -0.028 0.000 1.175 407 L HN 0.285 nan 8.230 nan 0.000 0.448 408 V N -0.420 119.507 119.914 0.022 0.000 2.864 408 V HA 0.624 4.743 4.120 -0.001 0.000 0.314 408 V C -2.615 173.487 176.094 0.014 0.000 1.073 408 V CA -2.568 59.758 62.300 0.042 0.000 0.956 408 V CB 1.475 33.320 31.823 0.037 0.000 1.023 408 V HN 0.513 nan 8.190 nan 0.000 0.435 409 P HA 0.296 nan 4.420 nan 0.000 0.268 409 P C 0.300 177.568 177.300 -0.055 0.000 1.205 409 P CA 0.055 63.098 63.100 -0.095 0.000 0.771 409 P CB 1.353 32.898 31.700 -0.258 0.000 0.858 410 V N 2.423 122.316 119.914 -0.035 0.000 2.950 410 V HA 0.237 4.357 4.120 -0.001 0.000 0.231 410 V C 0.767 176.868 176.094 0.012 0.000 1.205 410 V CA 0.758 63.066 62.300 0.014 0.000 1.239 410 V CB -0.312 31.549 31.823 0.064 0.000 1.050 410 V HN 0.336 nan 8.190 nan 0.000 0.498 411 L N -0.561 120.680 121.223 0.031 0.000 2.415 411 L HA 0.867 5.206 4.340 -0.001 0.000 0.256 411 L C -0.750 176.136 176.870 0.026 0.000 1.010 411 L CA -0.614 54.248 54.840 0.037 0.000 0.826 411 L CB 2.113 44.229 42.059 0.095 0.000 1.405 411 L HN 0.190 nan 8.230 nan 0.000 0.410 412 A N 0.405 123.232 122.820 0.012 0.000 2.330 412 A HA 0.623 4.943 4.320 -0.001 0.000 0.329 412 A C -0.757 176.817 177.584 -0.016 0.000 1.135 412 A CA -0.545 51.513 52.037 0.035 0.000 0.817 412 A CB 1.017 20.085 19.000 0.114 0.000 1.269 412 A HN 0.728 nan 8.150 nan 0.000 0.469 413 E N 1.677 121.854 120.200 -0.038 0.000 2.129 413 E HA 0.090 4.439 4.350 -0.001 0.000 0.283 413 E C -0.832 175.353 176.600 -0.691 0.000 1.080 413 E CA -0.363 55.889 56.400 -0.247 0.000 0.867 413 E CB 0.542 30.212 29.700 -0.049 0.000 1.056 413 E HN 0.474 nan 8.360 nan 0.000 0.404 414 N N 2.791 121.152 118.700 -0.565 0.000 2.444 414 N HA 0.125 4.865 4.740 -0.001 0.000 0.271 414 N C -1.371 173.797 175.510 -0.570 0.000 1.069 414 N CA -0.046 52.686 53.050 -0.529 0.000 0.965 414 N CB 0.409 38.741 38.487 -0.260 0.000 1.092 414 N HN 0.248 nan 8.380 nan 0.000 0.476 415 Y N 0.727 120.969 120.300 -0.097 0.000 2.534 415 Y HA 0.384 4.934 4.550 -0.001 0.000 0.329 415 Y C 0.847 176.690 175.900 -0.095 0.000 1.154 415 Y CA -0.876 57.150 58.100 -0.124 0.000 1.192 415 Y CB 0.749 39.136 38.460 -0.122 0.000 1.275 415 Y HN 0.165 nan 8.280 nan 0.000 0.491 416 K N 0.742 121.179 120.400 0.060 0.000 2.416 416 K HA 0.096 4.415 4.320 -0.001 0.000 0.283 416 K C 0.399 177.009 176.600 0.016 0.000 1.037 416 K CA 0.085 56.376 56.287 0.007 0.000 0.995 416 K CB 0.388 32.877 32.500 -0.018 0.000 0.938 416 K HN 0.752 nan 8.250 nan 0.000 0.475 417 S N 3.577 119.280 115.700 0.005 0.000 3.062 417 S HA -0.127 4.342 4.470 -0.001 0.000 0.248 417 S C 0.243 174.840 174.600 -0.006 0.000 1.015 417 S CA 0.346 58.547 58.200 0.003 0.000 1.109 417 S CB -0.554 62.642 63.200 -0.007 0.000 0.850 417 S HN 0.604 nan 8.310 nan 0.000 0.531 418 Q N -0.637 119.157 119.800 -0.010 0.000 2.987 418 Q HA -0.008 4.332 4.340 -0.001 0.000 0.236 418 Q C 0.306 176.287 176.000 -0.031 0.000 0.975 418 Q CA -0.460 55.330 55.803 -0.022 0.000 0.892 418 Q CB -0.055 28.672 28.738 -0.020 0.000 2.138 418 Q HN 0.309 nan 8.270 nan 0.000 0.580 419 Q N 0.670 120.446 119.800 -0.039 0.000 2.012 419 Q HA -0.140 4.200 4.340 -0.001 0.000 0.211 419 Q C 0.334 176.307 176.000 -0.045 0.000 1.009 419 Q CA 2.316 58.090 55.803 -0.049 0.000 0.866 419 Q CB -0.006 28.705 28.738 -0.046 0.000 0.945 419 Q HN 0.596 nan 8.270 nan 0.000 0.414 420 S N -0.171 115.507 115.700 -0.035 0.000 2.456 420 S HA 0.610 5.080 4.470 -0.001 0.000 0.316 420 S C -0.615 173.968 174.600 -0.028 0.000 1.089 420 S CA -0.172 58.007 58.200 -0.034 0.000 1.101 420 S CB 1.982 65.164 63.200 -0.030 0.000 0.995 420 S HN 0.366 nan 8.310 nan 0.000 0.468 421 S N 2.010 117.692 115.700 -0.029 0.000 2.643 421 S HA 0.445 4.914 4.470 -0.001 0.000 0.266 421 S C -2.269 172.316 174.600 -0.025 0.000 1.130 421 S CA -0.856 57.330 58.200 -0.025 0.000 0.817 421 S CB 0.865 64.051 63.200 -0.023 0.000 1.107 421 S HN 0.724 nan 8.310 nan 0.000 0.471 422 D N 2.220 122.607 120.400 -0.022 0.000 2.294 422 D HA 0.475 5.115 4.640 -0.001 0.000 0.250 422 D C -2.451 173.835 176.300 -0.023 0.000 1.058 422 D CA -1.204 52.783 54.000 -0.022 0.000 0.950 422 D CB 0.038 40.827 40.800 -0.019 0.000 1.158 422 D HN 0.431 nan 8.370 nan 0.000 0.453 423 P HA 0.028 nan 4.420 nan 0.000 0.263 423 P C -0.368 176.918 177.300 -0.023 0.000 1.195 423 P CA 0.081 63.166 63.100 -0.025 0.000 0.762 423 P CB 0.497 32.184 31.700 -0.023 0.000 0.799 424 D N 4.662 125.047 120.400 -0.024 0.000 2.359 424 D HA 0.181 4.820 4.640 -0.001 0.000 0.230 424 D C -1.650 174.638 176.300 -0.019 0.000 1.118 424 D CA -2.372 51.615 54.000 -0.021 0.000 0.844 424 D CB 1.037 41.824 40.800 -0.022 0.000 1.059 424 D HN 0.057 nan 8.370 nan 0.000 0.493 425 P HA -0.051 nan 4.420 nan 0.000 0.221 425 P C 0.152 177.445 177.300 -0.011 0.000 1.145 425 P CA 0.732 63.824 63.100 -0.015 0.000 0.795 425 P CB 0.273 31.965 31.700 -0.013 0.000 0.775 426 N N -1.534 117.160 118.700 -0.009 0.000 2.376 426 N HA 0.018 4.757 4.740 -0.001 0.000 0.249 426 N C 1.042 176.551 175.510 -0.002 0.000 1.140 426 N CA -0.080 52.969 53.050 -0.002 0.000 0.870 426 N CB -0.811 37.677 38.487 0.002 0.000 1.124 426 N HN 0.148 nan 8.380 nan 0.000 0.505 427 c N -0.148 118.444 118.600 -0.014 0.000 2.401 427 c HA -0.116 4.453 4.570 -0.001 0.000 0.276 427 c C 2.461 176.541 174.090 -0.016 0.000 1.233 427 c CA 0.829 57.142 56.329 -0.026 0.000 1.753 427 c CB -0.787 41.693 42.510 -0.050 0.000 2.029 427 c HN 0.313 nan 8.230 nan 0.000 0.478 428 V N 0.841 120.751 119.914 -0.007 0.000 2.720 428 V HA -0.133 3.987 4.120 -0.001 0.000 0.256 428 V C 1.699 177.813 176.094 0.034 0.000 1.082 428 V CA 2.352 64.654 62.300 0.003 0.000 1.101 428 V CB -0.638 31.190 31.823 0.009 0.000 0.693 428 V HN 0.628 nan 8.190 nan 0.000 0.479 429 D N -0.917 119.521 120.400 0.063 0.000 2.433 429 D HA 0.094 4.733 4.640 -0.001 0.000 0.211 429 D C 1.056 177.467 176.300 0.186 0.000 1.114 429 D CA -0.182 53.907 54.000 0.148 0.000 0.837 429 D CB 0.376 41.249 40.800 0.123 0.000 0.984 429 D HN 0.324 nan 8.370 nan 0.000 0.505 430 R N 2.487 123.047 120.500 0.100 0.000 2.351 430 R HA 0.161 4.501 4.340 -0.001 0.000 0.318 430 R C -2.517 173.857 176.300 0.123 0.000 1.055 430 R CA -1.218 54.926 56.100 0.073 0.000 0.968 430 R CB 0.484 30.795 30.300 0.019 0.000 0.974 430 R HN -0.256 nan 8.270 nan 0.000 0.439 431 P HA -0.137 nan 4.420 nan 0.000 0.263 431 P C -0.460 176.893 177.300 0.087 0.000 1.175 431 P CA -0.010 63.192 63.100 0.170 0.000 0.761 431 P CB 0.426 32.160 31.700 0.057 0.000 0.794 432 V N 0.890 120.856 119.914 0.087 0.000 2.924 432 V HA 0.159 4.278 4.120 -0.001 0.000 0.305 432 V C 0.768 176.870 176.094 0.013 0.000 1.073 432 V CA 0.309 62.625 62.300 0.026 0.000 1.098 432 V CB 0.573 32.419 31.823 0.038 0.000 1.000 432 V HN 0.534 nan 8.190 nan 0.000 0.484 433 E N 1.926 122.129 120.200 0.006 0.000 2.601 433 E HA 0.457 4.806 4.350 -0.001 0.000 0.219 433 E C 0.792 177.393 176.600 0.001 0.000 0.964 433 E CA 0.423 56.822 56.400 -0.001 0.000 1.050 433 E CB 1.008 30.710 29.700 0.004 0.000 1.068 433 E HN 1.450 nan 8.360 nan 0.000 0.496 434 G N 1.136 109.965 108.800 0.049 0.000 2.728 434 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.294 434 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.294 434 G C -0.898 174.108 174.900 0.178 0.000 1.342 434 G CA -0.298 44.831 45.100 0.049 0.000 0.866 434 G HN 0.218 nan 8.290 nan 0.000 0.534 435 Y N -2.885 117.420 120.300 0.009 0.000 2.625 435 Y HA 0.812 5.361 4.550 -0.001 0.000 0.338 435 Y C -0.929 174.907 175.900 -0.108 0.000 1.123 435 Y CA -1.888 56.179 58.100 -0.056 0.000 1.046 435 Y CB 1.036 39.436 38.460 -0.101 0.000 1.299 435 Y HN 0.694 nan 8.280 nan 0.000 0.464 436 L N 2.944 124.158 121.223 -0.015 0.000 2.289 436 L HA 0.775 5.114 4.340 -0.001 0.000 0.285 436 L C 0.096 176.987 176.870 0.035 0.000 1.049 436 L CA -0.927 53.832 54.840 -0.135 0.000 0.804 436 L CB 1.116 43.058 42.059 -0.195 0.000 1.195 436 L HN 0.907 nan 8.230 nan 0.000 0.428 437 A N 3.946 126.779 122.820 0.022 0.000 2.290 437 A HA 0.738 5.057 4.320 -0.001 0.000 0.310 437 A C -0.351 177.319 177.584 0.144 0.000 1.202 437 A CA -0.402 51.716 52.037 0.135 0.000 0.837 437 A CB 0.779 19.845 19.000 0.110 0.000 1.139 437 A HN 0.659 nan 8.150 nan 0.000 0.509 438 V N -1.185 118.827 119.914 0.163 0.000 3.074 438 V HA 0.955 5.075 4.120 -0.001 0.000 0.314 438 V C -0.059 176.147 176.094 0.186 0.000 1.117 438 V CA -0.535 61.850 62.300 0.140 0.000 1.014 438 V CB 1.677 33.556 31.823 0.093 0.000 1.057 438 V HN 1.637 nan 8.190 nan 0.000 0.438 439 A N 2.054 124.961 122.820 0.144 0.000 2.360 439 A HA 0.768 5.087 4.320 -0.001 0.000 0.309 439 A C -0.479 177.122 177.584 0.028 0.000 1.311 439 A CA -0.302 51.782 52.037 0.079 0.000 0.805 439 A CB 0.870 20.020 19.000 0.249 0.000 1.144 439 A HN 1.999 nan 8.150 nan 0.000 0.486 440 V N 4.350 124.248 119.914 -0.027 0.000 2.532 440 V HA 0.847 4.967 4.120 -0.001 0.000 0.295 440 V C -0.164 175.955 176.094 0.042 0.000 1.041 440 V CA -0.082 62.254 62.300 0.060 0.000 0.926 440 V CB 1.570 33.460 31.823 0.112 0.000 0.992 440 V HN 1.337 nan 8.190 nan 0.000 0.457 441 V N 3.673 123.660 119.914 0.120 0.000 3.102 441 V HA 0.696 4.816 4.120 -0.001 0.000 0.312 441 V C -0.152 176.047 176.094 0.175 0.000 1.135 441 V CA -1.329 61.029 62.300 0.097 0.000 1.022 441 V CB 1.811 33.662 31.823 0.047 0.000 1.056 441 V HN 0.990 nan 8.190 nan 0.000 0.436 442 R N 0.644 121.181 120.500 0.060 0.000 2.490 442 R HA 0.373 4.712 4.340 -0.001 0.000 0.280 442 R C 1.199 177.434 176.300 -0.108 0.000 1.077 442 R CA -0.312 55.712 56.100 -0.128 0.000 1.065 442 R CB 0.756 30.973 30.300 -0.139 0.000 1.003 442 R HN 0.747 nan 8.270 nan 0.000 0.470 443 R N 1.105 121.501 120.500 -0.173 0.000 2.189 443 R HA -0.106 4.234 4.340 -0.001 0.000 0.218 443 R C 1.481 177.737 176.300 -0.073 0.000 1.074 443 R CA 1.363 57.409 56.100 -0.091 0.000 0.991 443 R CB 0.132 30.371 30.300 -0.103 0.000 0.883 443 R HN 0.661 nan 8.270 nan 0.000 0.457 444 S N 0.725 116.370 115.700 -0.091 0.000 2.369 444 S HA -0.211 4.259 4.470 -0.001 0.000 0.225 444 S C 0.793 175.372 174.600 -0.036 0.000 1.043 444 S CA 1.457 59.621 58.200 -0.061 0.000 1.074 444 S CB -0.401 62.761 63.200 -0.063 0.000 0.962 444 S HN 0.371 nan 8.310 nan 0.000 0.433 445 D N 0.964 121.347 120.400 -0.028 0.000 2.336 445 D HA 0.246 4.885 4.640 -0.001 0.000 0.249 445 D C 0.725 177.021 176.300 -0.006 0.000 1.213 445 D CA 0.167 54.159 54.000 -0.013 0.000 0.870 445 D CB 0.885 41.680 40.800 -0.009 0.000 1.076 445 D HN -0.026 nan 8.370 nan 0.000 0.483 446 T N 1.578 116.130 114.554 -0.003 0.000 2.867 446 T HA -0.129 4.221 4.350 -0.001 0.000 0.268 446 T C 1.728 176.434 174.700 0.010 0.000 1.057 446 T CA 1.647 63.748 62.100 0.003 0.000 1.136 446 T CB 0.007 68.875 68.868 -0.001 0.000 0.874 446 T HN 0.547 nan 8.240 nan 0.000 0.466 447 S N 0.283 115.988 115.700 0.008 0.000 2.562 447 S HA 0.187 4.656 4.470 -0.001 0.000 0.221 447 S C 0.587 175.198 174.600 0.017 0.000 0.975 447 S CA -0.334 57.873 58.200 0.012 0.000 0.918 447 S CB -0.379 62.825 63.200 0.007 0.000 0.772 447 S HN 0.312 nan 8.310 nan 0.000 0.531 448 L N 3.776 125.011 121.223 0.020 0.000 2.418 448 L HA 0.460 4.800 4.340 -0.001 0.000 0.274 448 L C 0.214 177.115 176.870 0.052 0.000 1.135 448 L CA 0.753 55.611 54.840 0.030 0.000 0.870 448 L CB 0.715 42.791 42.059 0.027 0.000 1.154 448 L HN 0.477 nan 8.230 nan 0.000 0.462 449 T N 0.583 115.173 114.554 0.059 0.000 2.804 449 T HA 0.155 4.504 4.350 -0.001 0.000 0.290 449 T C 0.570 175.360 174.700 0.150 0.000 1.099 449 T CA -0.596 61.569 62.100 0.108 0.000 1.011 449 T CB 0.289 69.216 68.868 0.099 0.000 1.291 449 T HN 0.725 nan 8.240 nan 0.000 0.523 450 W N 1.088 122.414 121.300 0.044 0.000 2.350 450 W HA -0.130 4.529 4.660 -0.001 0.000 0.289 450 W C 0.866 177.411 176.519 0.043 0.000 1.215 450 W CA 1.387 58.768 57.345 0.060 0.000 1.236 450 W CB -0.283 29.207 29.460 0.050 0.000 1.130 450 W HN 0.615 nan 8.180 nan 0.000 0.541 451 N N 0.295 119.005 118.700 0.016 0.000 2.521 451 N HA -0.091 4.648 4.740 -0.001 0.000 0.188 451 N C 0.909 176.340 175.510 -0.133 0.000 1.146 451 N CA 1.472 54.466 53.050 -0.092 0.000 0.893 451 N CB -0.035 38.456 38.487 0.008 0.000 0.975 451 N HN 0.122 nan 8.380 nan 0.000 0.451 452 S N -1.842 113.791 115.700 -0.112 0.000 2.952 452 S HA 0.164 4.634 4.470 -0.001 0.000 0.251 452 S C 1.025 175.572 174.600 -0.088 0.000 1.021 452 S CA -0.469 57.679 58.200 -0.087 0.000 1.067 452 S CB 0.135 63.315 63.200 -0.033 0.000 1.002 452 S HN -0.047 nan 8.310 nan 0.000 0.574 453 V N 1.517 121.333 119.914 -0.163 0.000 3.217 453 V HA 0.173 4.292 4.120 -0.001 0.000 0.264 453 V C 0.717 176.813 176.094 0.004 0.000 1.135 453 V CA 0.876 63.149 62.300 -0.046 0.000 1.142 453 V CB -0.434 31.360 31.823 -0.047 0.000 0.754 453 V HN 0.418 nan 8.190 nan 0.000 0.484 454 K N 0.013 120.304 120.400 -0.182 0.000 2.401 454 K HA 0.367 4.686 4.320 -0.001 0.000 0.278 454 K C 1.131 177.673 176.600 -0.097 0.000 1.018 454 K CA 0.748 56.882 56.287 -0.255 0.000 0.981 454 K CB 0.602 32.907 32.500 -0.326 0.000 0.933 454 K HN 0.396 nan 8.250 nan 0.000 0.477 455 G N 1.852 110.610 108.800 -0.069 0.000 2.176 455 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.253 455 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.253 455 G C 0.124 175.104 174.900 0.134 0.000 0.979 455 G CA 0.156 45.278 45.100 0.037 0.000 0.641 455 G HN 0.467 nan 8.290 nan 0.000 0.530 456 K N -0.097 120.457 120.400 0.257 0.000 2.531 456 K HA 0.584 4.903 4.320 -0.001 0.000 0.265 456 K C 0.390 177.163 176.600 0.288 0.000 1.045 456 K CA -0.634 55.788 56.287 0.224 0.000 1.040 456 K CB 0.522 33.115 32.500 0.154 0.000 1.436 456 K HN 0.201 nan 8.250 nan 0.000 0.571 457 K N 1.437 121.916 120.400 0.132 0.000 2.183 457 K HA 0.261 4.580 4.320 -0.001 0.000 0.274 457 K C -0.143 176.393 176.600 -0.108 0.000 1.009 457 K CA -0.331 55.990 56.287 0.058 0.000 0.888 457 K CB 1.333 33.850 32.500 0.029 0.000 1.078 457 K HN 0.661 nan 8.250 nan 0.000 0.459 458 S N 0.747 116.327 115.700 -0.199 0.000 2.600 458 S HA 0.564 5.034 4.470 -0.001 0.000 0.300 458 S C -0.537 173.914 174.600 -0.248 0.000 1.087 458 S CA -0.856 57.083 58.200 -0.435 0.000 0.965 458 S CB 1.142 63.725 63.200 -1.028 0.000 1.089 458 S HN 0.624 nan 8.310 nan 0.000 0.496 459 c N 3.193 121.573 118.600 -0.366 0.000 2.340 459 c HA 0.660 5.229 4.570 -0.001 0.000 0.323 459 c C -0.373 173.578 174.090 -0.231 0.000 1.260 459 c CA -0.647 55.555 56.329 -0.211 0.000 1.464 459 c CB -0.429 41.924 42.510 -0.262 0.000 2.156 459 c HN 0.889 nan 8.230 nan 0.000 0.476 460 H N 1.270 120.431 119.070 0.152 0.000 2.524 460 H HA 0.273 4.829 4.556 -0.001 0.000 0.353 460 H C 1.002 176.408 175.328 0.130 0.000 1.136 460 H CA -0.009 56.188 56.048 0.248 0.000 1.193 460 H CB 2.085 32.073 29.762 0.377 0.000 1.558 460 H HN 0.736 nan 8.280 nan 0.000 0.515 461 T N 0.158 114.821 114.554 0.182 0.000 2.777 461 T HA 0.210 4.559 4.350 -0.001 0.000 0.266 461 T C 0.836 175.509 174.700 -0.045 0.000 1.040 461 T CA 0.750 62.809 62.100 -0.067 0.000 1.141 461 T CB 0.241 68.937 68.868 -0.287 0.000 0.868 461 T HN 0.725 nan 8.240 nan 0.000 0.444 462 A N -0.683 122.188 122.820 0.085 0.000 2.489 462 A HA 0.574 4.894 4.320 -0.001 0.000 0.293 462 A C -1.019 176.539 177.584 -0.042 0.000 1.004 462 A CA -0.663 51.432 52.037 0.097 0.000 0.626 462 A CB 0.710 19.846 19.000 0.226 0.000 1.345 462 A HN 0.275 nan 8.150 nan 0.000 0.447 463 V N 1.625 121.382 119.914 -0.263 0.000 2.775 463 V HA 0.427 4.546 4.120 -0.001 0.000 0.299 463 V C 0.496 176.262 176.094 -0.546 0.000 1.062 463 V CA 1.663 63.451 62.300 -0.853 0.000 1.063 463 V CB 0.883 32.148 31.823 -0.930 0.000 0.994 463 V HN 1.068 nan 8.190 nan 0.000 0.483 464 D N 2.140 122.158 120.400 -0.635 0.000 3.077 464 D HA -0.145 4.495 4.640 -0.001 0.000 0.212 464 D C 0.471 176.570 176.300 -0.335 0.000 1.125 464 D CA 0.986 54.804 54.000 -0.303 0.000 0.970 464 D CB -0.592 40.037 40.800 -0.285 0.000 1.110 464 D HN 0.629 nan 8.370 nan 0.000 0.419 465 R N -0.112 120.293 120.500 -0.159 0.000 2.532 465 R HA 0.457 4.796 4.340 -0.001 0.000 0.272 465 R C 1.576 177.941 176.300 0.109 0.000 1.032 465 R CA -0.192 55.841 56.100 -0.112 0.000 1.089 465 R CB 0.801 31.067 30.300 -0.056 0.000 1.098 465 R HN -0.090 nan 8.270 nan 0.000 0.526 466 T N 1.026 115.675 114.554 0.159 0.000 2.612 466 T HA -0.163 4.186 4.350 -0.001 0.000 0.259 466 T C 1.793 176.630 174.700 0.229 0.000 1.065 466 T CA 1.657 63.898 62.100 0.236 0.000 1.167 466 T CB -0.227 68.768 68.868 0.211 0.000 0.863 466 T HN 0.726 nan 8.240 nan 0.000 0.407 467 A N 1.195 124.195 122.820 0.299 0.000 1.930 467 A HA 0.210 4.529 4.320 -0.001 0.000 0.217 467 A C 2.563 180.327 177.584 0.301 0.000 1.175 467 A CA 1.685 53.906 52.037 0.307 0.000 0.627 467 A CB -1.225 18.063 19.000 0.480 0.000 0.815 467 A HN 0.528 nan 8.150 nan 0.000 0.443 468 G N -2.711 106.269 108.800 0.299 0.000 2.448 468 G HA2 -0.081 3.879 3.960 -0.001 0.000 0.218 468 G HA3 -0.081 3.879 3.960 -0.001 0.000 0.218 468 G C 1.279 176.460 174.900 0.469 0.000 1.135 468 G CA 0.984 46.301 45.100 0.362 0.000 0.784 468 G HN 0.636 nan 8.290 nan 0.000 0.543 469 W N -0.383 120.961 121.300 0.072 0.000 4.977 469 W HA 0.061 4.720 4.660 -0.002 0.000 0.185 469 W C 1.536 177.991 176.519 -0.107 0.000 1.003 469 W CA 0.185 57.504 57.345 -0.043 0.000 1.997 469 W CB -0.221 29.183 29.460 -0.094 0.000 0.712 469 W HN 0.048 nan 8.180 nan 0.000 1.014 470 N N 1.868 120.620 118.700 0.087 0.000 2.036 470 N HA -0.203 4.536 4.740 -0.001 0.000 0.195 470 N C 1.681 177.138 175.510 -0.089 0.000 1.037 470 N CA 2.531 55.566 53.050 -0.026 0.000 0.855 470 N CB -0.924 37.610 38.487 0.079 0.000 1.033 470 N HN 0.249 nan 8.380 nan 0.000 0.423 471 I N 1.524 122.092 120.570 -0.003 0.000 2.090 471 I HA -0.177 3.993 4.170 -0.001 0.000 0.236 471 I C -0.633 175.428 176.117 -0.093 0.000 1.064 471 I CA 1.168 62.462 61.300 -0.010 0.000 1.324 471 I CB -1.372 36.654 38.000 0.044 0.000 1.044 471 I HN 0.143 nan 8.210 nan 0.000 0.399 472 P HA -0.186 nan 4.420 nan 0.000 0.215 472 P C 1.708 178.875 177.300 -0.221 0.000 1.157 472 P CA 1.849 64.782 63.100 -0.280 0.000 0.868 472 P CB -0.171 30.956 31.700 -0.956 0.000 0.788 473 M N -0.869 118.463 119.600 -0.446 0.000 2.254 473 M HA 0.039 4.519 4.480 -0.001 0.000 0.265 473 M C 2.408 178.589 176.300 -0.199 0.000 1.066 473 M CA 1.550 56.552 55.300 -0.496 0.000 1.123 473 M CB -2.291 29.488 32.600 -1.369 0.000 1.388 473 M HN -0.005 nan 8.290 nan 0.000 0.425 474 G N 0.326 109.037 108.800 -0.148 0.000 2.402 474 G HA2 -0.098 3.862 3.960 -0.001 0.000 0.216 474 G HA3 -0.098 3.862 3.960 -0.001 0.000 0.216 474 G C 1.743 176.721 174.900 0.129 0.000 1.162 474 G CA 0.299 45.418 45.100 0.032 0.000 0.777 474 G HN 0.366 nan 8.290 nan 0.000 0.539 475 L N -0.433 120.839 121.223 0.080 0.000 1.976 475 L HA -0.053 4.286 4.340 -0.001 0.000 0.209 475 L C 2.802 179.758 176.870 0.144 0.000 1.071 475 L CA 0.445 55.361 54.840 0.127 0.000 0.746 475 L CB -0.515 41.644 42.059 0.167 0.000 0.890 475 L HN 0.124 nan 8.230 nan 0.000 0.432 476 L N -0.776 120.504 121.223 0.094 0.000 2.013 476 L HA -0.272 4.068 4.340 -0.001 0.000 0.212 476 L C 2.377 179.198 176.870 -0.081 0.000 1.073 476 L CA 1.798 56.540 54.840 -0.163 0.000 0.753 476 L CB -1.058 40.688 42.059 -0.520 0.000 0.890 476 L HN 0.121 nan 8.230 nan 0.000 0.432 477 F N 0.646 120.609 119.950 0.022 0.000 2.043 477 F HA -0.279 4.247 4.527 -0.002 0.000 0.297 477 F C 2.520 178.366 175.800 0.075 0.000 1.121 477 F CA 1.935 60.047 58.000 0.187 0.000 1.199 477 F CB -0.734 38.426 39.000 0.267 0.000 0.968 477 F HN 0.244 nan 8.300 nan 0.000 0.478 478 N N 0.010 118.734 118.700 0.040 0.000 2.069 478 N HA -0.289 4.450 4.740 -0.001 0.000 0.196 478 N C 1.901 177.341 175.510 -0.117 0.000 1.024 478 N CA 2.077 55.075 53.050 -0.088 0.000 0.869 478 N CB -0.344 38.154 38.487 0.017 0.000 1.035 478 N HN 0.551 nan 8.380 nan 0.000 0.434 479 Q N -0.715 119.047 119.800 -0.065 0.000 2.016 479 Q HA -0.106 4.233 4.340 -0.001 0.000 0.200 479 Q C 2.117 178.050 176.000 -0.111 0.000 0.978 479 Q CA 2.034 57.792 55.803 -0.076 0.000 0.833 479 Q CB -0.016 28.679 28.738 -0.071 0.000 0.895 479 Q HN 0.537 nan 8.270 nan 0.000 0.427 480 T N -4.914 109.566 114.554 -0.123 0.000 3.014 480 T HA 0.289 4.639 4.350 -0.001 0.000 0.250 480 T C 1.426 176.074 174.700 -0.087 0.000 1.060 480 T CA 0.660 62.707 62.100 -0.089 0.000 1.040 480 T CB 0.776 69.603 68.868 -0.068 0.000 0.971 480 T HN 0.464 nan 8.240 nan 0.000 0.497 481 G N 1.136 109.805 108.800 -0.218 0.000 2.267 481 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.257 481 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.257 481 G C 0.330 175.253 174.900 0.038 0.000 0.998 481 G CA 0.438 45.358 45.100 -0.300 0.000 0.620 481 G HN 1.020 nan 8.290 nan 0.000 0.529 482 S N -0.634 115.208 115.700 0.236 0.000 2.528 482 S HA 0.393 4.863 4.470 -0.001 0.000 0.277 482 S C 1.386 176.243 174.600 0.429 0.000 1.297 482 S CA 0.239 58.634 58.200 0.325 0.000 1.052 482 S CB 0.762 64.122 63.200 0.267 0.000 0.917 482 S HN 0.623 nan 8.310 nan 0.000 0.492 483 c N 4.442 123.086 118.600 0.074 0.000 2.613 483 c HA 0.316 4.885 4.570 -0.001 0.000 0.273 483 c C 1.031 174.647 174.090 -0.790 0.000 1.304 483 c CA -0.196 55.850 56.329 -0.472 0.000 1.702 483 c CB -1.732 40.589 42.510 -0.315 0.000 1.792 483 c HN 0.744 nan 8.230 nan 0.000 0.588 484 K N 0.891 121.049 120.400 -0.403 0.000 2.291 484 K HA 0.237 4.556 4.320 -0.001 0.000 0.242 484 K C 0.501 176.886 176.600 -0.359 0.000 1.098 484 K CA -0.416 55.670 56.287 -0.335 0.000 1.036 484 K CB -0.068 32.359 32.500 -0.121 0.000 1.655 484 K HN 0.111 nan 8.250 nan 0.000 0.432 485 F N 1.252 120.920 119.950 -0.471 0.000 2.091 485 F HA -0.262 4.265 4.527 -0.000 0.000 0.299 485 F C 1.861 177.462 175.800 -0.331 0.000 1.103 485 F CA 1.455 59.051 58.000 -0.674 0.000 1.228 485 F CB -0.664 38.187 39.000 -0.249 0.000 0.984 485 F HN 0.537 nan 8.300 nan 0.000 0.477 486 D N -0.402 120.045 120.400 0.078 0.000 2.392 486 D HA -0.154 4.486 4.640 -0.001 0.000 0.228 486 D C 1.163 177.527 176.300 0.108 0.000 1.003 486 D CA 0.751 54.825 54.000 0.124 0.000 0.917 486 D CB -0.857 40.006 40.800 0.105 0.000 0.890 486 D HN 0.421 nan 8.370 nan 0.000 0.532 487 E N -1.556 118.685 120.200 0.068 0.000 2.498 487 E HA 0.029 4.379 4.350 -0.001 0.000 0.203 487 E C 0.705 177.399 176.600 0.156 0.000 1.013 487 E CA -0.294 56.169 56.400 0.104 0.000 0.927 487 E CB 0.174 29.920 29.700 0.077 0.000 1.012 487 E HN 0.163 nan 8.360 nan 0.000 0.482 488 Y N -0.302 119.943 120.300 -0.092 0.000 2.200 488 Y HA -0.019 4.530 4.550 -0.001 0.000 0.290 488 Y C 0.723 176.238 175.900 -0.643 0.000 1.137 488 Y CA 0.597 58.443 58.100 -0.423 0.000 1.163 488 Y CB -0.041 38.108 38.460 -0.518 0.000 0.988 488 Y HN -0.109 nan 8.280 nan 0.000 0.518 489 F N -2.043 118.061 119.950 0.257 0.000 2.579 489 F HA 0.362 4.888 4.527 -0.001 0.000 0.324 489 F C 1.417 177.305 175.800 0.146 0.000 1.058 489 F CA -0.807 57.305 58.000 0.187 0.000 0.944 489 F CB 1.283 40.425 39.000 0.237 0.000 1.245 489 F HN -0.439 nan 8.300 nan 0.000 0.477 490 S N -0.154 115.729 115.700 0.306 0.000 2.354 490 S HA -0.099 4.371 4.470 -0.001 0.000 0.219 490 S C 0.184 174.900 174.600 0.193 0.000 1.035 490 S CA 1.276 59.594 58.200 0.196 0.000 1.037 490 S CB -0.138 63.157 63.200 0.158 0.000 0.956 490 S HN 0.616 nan 8.310 nan 0.000 0.428 491 Q N -0.933 118.993 119.800 0.211 0.000 2.421 491 Q HA 0.677 5.016 4.340 -0.001 0.000 0.280 491 Q C -1.444 174.675 176.000 0.198 0.000 1.085 491 Q CA -0.444 55.465 55.803 0.177 0.000 0.807 491 Q CB 2.544 31.357 28.738 0.125 0.000 1.405 491 Q HN 0.197 nan 8.270 nan 0.000 0.419 492 S N -0.217 115.601 115.700 0.196 0.000 2.671 492 S HA 0.593 5.062 4.470 -0.001 0.000 0.277 492 S C -1.796 172.926 174.600 0.203 0.000 1.165 492 S CA -0.611 57.719 58.200 0.217 0.000 0.822 492 S CB 1.720 65.122 63.200 0.336 0.000 1.150 492 S HN 0.700 nan 8.310 nan 0.000 0.479 493 c N 2.266 121.003 118.600 0.229 0.000 2.455 493 c HA 0.840 5.409 4.570 -0.001 0.000 0.321 493 c C -0.392 173.868 174.090 0.283 0.000 1.102 493 c CA -0.217 56.248 56.329 0.227 0.000 1.413 493 c CB -1.043 41.628 42.510 0.269 0.000 1.952 493 c HN 0.876 nan 8.230 nan 0.000 0.428 494 A N 7.617 130.580 122.820 0.237 0.000 2.709 494 A HA 0.666 4.986 4.320 -0.001 0.000 0.332 494 A C -2.754 174.885 177.584 0.092 0.000 1.241 494 A CA -1.132 51.027 52.037 0.204 0.000 0.782 494 A CB 0.230 19.314 19.000 0.141 0.000 1.109 494 A HN 0.690 nan 8.150 nan 0.000 0.472 495 P HA 0.174 nan 4.420 nan 0.000 0.264 495 P C 1.267 178.584 177.300 0.028 0.000 1.173 495 P CA 2.464 65.638 63.100 0.123 0.000 0.761 495 P CB 0.668 32.547 31.700 0.298 0.000 0.794 496 G N 1.068 109.862 108.800 -0.009 0.000 2.217 496 G HA2 -0.230 3.730 3.960 -0.001 0.000 0.246 496 G HA3 -0.230 3.730 3.960 -0.001 0.000 0.246 496 G C 0.604 175.444 174.900 -0.099 0.000 0.990 496 G CA 0.127 45.193 45.100 -0.057 0.000 0.627 496 G HN 0.586 nan 8.290 nan 0.000 0.522 497 S N 0.133 115.776 115.700 -0.094 0.000 2.661 497 S HA 0.475 4.944 4.470 -0.001 0.000 0.265 497 S C 0.041 174.620 174.600 -0.034 0.000 1.225 497 S CA 0.045 58.195 58.200 -0.084 0.000 0.986 497 S CB 1.087 64.255 63.200 -0.053 0.000 1.008 497 S HN 0.448 nan 8.310 nan 0.000 0.565 498 D N 1.251 121.641 120.400 -0.016 0.000 2.382 498 D HA 0.169 4.809 4.640 -0.001 0.000 0.259 498 D C -1.737 174.567 176.300 0.007 0.000 1.224 498 D CA -1.835 52.162 54.000 -0.005 0.000 0.894 498 D CB 0.919 41.719 40.800 0.001 0.000 1.127 498 D HN -0.014 nan 8.370 nan 0.000 0.487 499 P HA -0.133 nan 4.420 nan 0.000 0.219 499 P C 0.710 178.019 177.300 0.014 0.000 1.144 499 P CA 1.127 64.231 63.100 0.006 0.000 0.806 499 P CB 0.175 31.873 31.700 -0.004 0.000 0.771 500 R N -0.920 119.588 120.500 0.014 0.000 2.334 500 R HA 0.162 4.501 4.340 -0.001 0.000 0.216 500 R C 0.847 177.164 176.300 0.028 0.000 0.905 500 R CA 0.101 56.211 56.100 0.017 0.000 1.064 500 R CB 0.020 30.327 30.300 0.010 0.000 1.046 500 R HN 0.303 nan 8.270 nan 0.000 0.508 501 S N -0.435 115.287 115.700 0.037 0.000 2.730 501 S HA 0.201 4.671 4.470 -0.001 0.000 0.284 501 S C 0.557 175.200 174.600 0.071 0.000 1.153 501 S CA -0.869 57.363 58.200 0.053 0.000 0.995 501 S CB 1.105 64.340 63.200 0.059 0.000 1.058 501 S HN 0.065 nan 8.310 nan 0.000 0.552 502 N N 0.036 118.790 118.700 0.088 0.000 2.309 502 N HA 0.025 4.764 4.740 -0.001 0.000 0.182 502 N C 1.399 176.994 175.510 0.142 0.000 1.018 502 N CA 0.594 53.711 53.050 0.111 0.000 0.876 502 N CB -0.520 38.041 38.487 0.123 0.000 0.972 502 N HN 0.432 nan 8.380 nan 0.000 0.434 503 L N -0.310 121.001 121.223 0.147 0.000 2.353 503 L HA -0.117 4.223 4.340 -0.001 0.000 0.220 503 L C 0.903 177.859 176.870 0.143 0.000 1.133 503 L CA 0.573 55.518 54.840 0.174 0.000 0.798 503 L CB -0.118 42.042 42.059 0.169 0.000 0.922 503 L HN 0.409 nan 8.230 nan 0.000 0.445 504 c N -1.454 117.211 118.600 0.108 0.000 3.243 504 c HA 0.330 4.899 4.570 -0.001 0.000 0.286 504 c C 2.542 176.685 174.090 0.089 0.000 1.373 504 c CA -0.220 56.164 56.329 0.092 0.000 1.749 504 c CB -0.280 42.264 42.510 0.056 0.000 2.313 504 c HN 0.511 nan 8.230 nan 0.000 0.644 505 A N 1.048 123.927 122.820 0.098 0.000 1.978 505 A HA -0.081 4.238 4.320 -0.001 0.000 0.220 505 A C 1.811 179.450 177.584 0.091 0.000 1.170 505 A CA 1.547 53.635 52.037 0.086 0.000 0.636 505 A CB -0.333 18.722 19.000 0.091 0.000 0.810 505 A HN 0.637 nan 8.150 nan 0.000 0.448 506 L N -0.746 120.552 121.223 0.124 0.000 2.554 506 L HA 0.076 4.416 4.340 -0.001 0.000 0.225 506 L C 0.497 177.490 176.870 0.204 0.000 1.104 506 L CA -0.662 54.274 54.840 0.159 0.000 0.866 506 L CB -0.401 41.756 42.059 0.163 0.000 1.047 506 L HN 0.264 nan 8.230 nan 0.000 0.468 507 c N 1.086 119.776 118.600 0.150 0.000 2.727 507 c HA 0.074 4.644 4.570 -0.001 0.000 0.401 507 c C 1.828 175.863 174.090 -0.092 0.000 1.294 507 c CA -0.405 55.975 56.329 0.085 0.000 2.134 507 c CB 0.175 42.735 42.510 0.084 0.000 2.724 507 c HN 0.500 nan 8.230 nan 0.000 0.677 508 I N -0.498 119.895 120.570 -0.295 0.000 4.147 508 I HA 0.464 4.634 4.170 -0.001 0.000 0.329 508 I C 0.952 176.944 176.117 -0.208 0.000 1.424 508 I CA 0.456 61.583 61.300 -0.288 0.000 1.127 508 I CB -0.795 36.904 38.000 -0.503 0.000 1.128 508 I HN 0.896 nan 8.210 nan 0.000 0.417 509 G N 3.089 111.795 108.800 -0.157 0.000 2.598 509 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.269 509 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.269 509 G C -0.326 174.509 174.900 -0.107 0.000 1.289 509 G CA 0.540 45.579 45.100 -0.101 0.000 0.926 509 G HN 0.813 nan 8.290 nan 0.000 0.567 510 D N -0.929 119.428 120.400 -0.073 0.000 2.440 510 D HA 0.333 4.972 4.640 -0.001 0.000 0.269 510 D C 1.416 177.681 176.300 -0.058 0.000 1.249 510 D CA 0.313 54.279 54.000 -0.057 0.000 1.055 510 D CB 0.025 40.804 40.800 -0.036 0.000 1.104 510 D HN 0.678 nan 8.370 nan 0.000 0.561 511 E N -0.898 119.280 120.200 -0.037 0.000 2.171 511 E HA -0.256 4.094 4.350 -0.001 0.000 0.197 511 E C 1.212 177.794 176.600 -0.030 0.000 0.997 511 E CA 1.309 57.692 56.400 -0.029 0.000 0.810 511 E CB 0.054 29.749 29.700 -0.010 0.000 0.738 511 E HN 0.490 nan 8.360 nan 0.000 0.467 512 E N -1.801 118.382 120.200 -0.028 0.000 2.489 512 E HA 0.124 4.473 4.350 -0.001 0.000 0.193 512 E C 0.931 177.512 176.600 -0.032 0.000 1.057 512 E CA 0.493 56.878 56.400 -0.025 0.000 0.866 512 E CB 0.892 30.581 29.700 -0.019 0.000 0.916 512 E HN 0.408 nan 8.360 nan 0.000 0.500 513 G N 0.608 109.382 108.800 -0.044 0.000 2.201 513 G HA2 -0.233 3.726 3.960 -0.001 0.000 0.212 513 G HA3 -0.233 3.726 3.960 -0.001 0.000 0.212 513 G C 0.113 174.988 174.900 -0.043 0.000 0.994 513 G CA -0.104 44.968 45.100 -0.046 0.000 0.644 513 G HN 0.263 nan 8.290 nan 0.000 0.508 514 E N 0.428 120.604 120.200 -0.039 0.000 2.322 514 E HA 0.440 4.790 4.350 -0.001 0.000 0.257 514 E C 0.728 177.302 176.600 -0.044 0.000 1.155 514 E CA -0.383 55.995 56.400 -0.037 0.000 0.936 514 E CB 0.261 29.942 29.700 -0.032 0.000 1.130 514 E HN 0.144 nan 8.360 nan 0.000 0.465 515 N N -0.037 118.638 118.700 -0.043 0.000 2.778 515 N HA -0.162 4.577 4.740 -0.001 0.000 0.249 515 N C -0.839 174.642 175.510 -0.048 0.000 1.069 515 N CA 0.970 53.990 53.050 -0.050 0.000 0.831 515 N CB -0.986 37.467 38.487 -0.055 0.000 1.142 515 N HN 0.467 nan 8.380 nan 0.000 0.573 516 K N 0.293 120.667 120.400 -0.042 0.000 2.491 516 K HA 0.009 4.328 4.320 -0.001 0.000 0.279 516 K C 1.150 177.738 176.600 -0.020 0.000 1.026 516 K CA 0.775 57.041 56.287 -0.036 0.000 1.070 516 K CB 0.326 32.809 32.500 -0.029 0.000 0.887 516 K HN 0.456 nan 8.250 nan 0.000 0.481 517 c N 1.776 120.375 118.600 -0.002 0.000 4.593 517 c HA -0.171 4.399 4.570 -0.001 0.000 0.263 517 c C 0.739 174.825 174.090 -0.007 0.000 1.378 517 c CA 0.494 56.834 56.329 0.019 0.000 1.666 517 c CB -2.426 40.096 42.510 0.019 0.000 1.603 517 c HN 0.694 nan 8.230 nan 0.000 0.704 518 V N -0.356 119.533 119.914 -0.041 0.000 2.715 518 V HA 0.512 4.631 4.120 -0.001 0.000 0.299 518 V C -1.143 174.865 176.094 -0.144 0.000 1.054 518 V CA -0.582 61.666 62.300 -0.086 0.000 1.077 518 V CB 0.816 32.579 31.823 -0.100 0.000 0.972 518 V HN 0.396 nan 8.190 nan 0.000 0.484 519 P HA 0.258 nan 4.420 nan 0.000 0.220 519 P C -1.015 175.816 177.300 -0.780 0.000 1.806 519 P CA 0.139 63.077 63.100 -0.271 0.000 0.976 519 P CB -0.648 31.048 31.700 -0.007 0.000 1.952 520 N N -2.490 115.558 118.700 -1.087 0.000 2.927 520 N HA 0.123 4.863 4.740 -0.001 0.000 0.248 520 N C 0.428 175.532 175.510 -0.677 0.000 1.443 520 N CA -0.839 51.647 53.050 -0.941 0.000 0.870 520 N CB -0.101 38.155 38.487 -0.384 0.000 1.444 520 N HN -0.347 nan 8.380 nan 0.000 0.519 521 S N -0.435 115.113 115.700 -0.254 0.000 2.461 521 S HA -0.153 4.316 4.470 -0.001 0.000 0.246 521 S C 0.908 175.517 174.600 0.015 0.000 1.007 521 S CA 1.504 59.727 58.200 0.038 0.000 0.976 521 S CB -0.929 62.319 63.200 0.081 0.000 0.763 521 S HN 0.634 nan 8.310 nan 0.000 0.508 522 N N 0.916 119.580 118.700 -0.059 0.000 2.331 522 N HA -0.059 4.680 4.740 -0.001 0.000 0.180 522 N C 0.614 176.105 175.510 -0.032 0.000 1.019 522 N CA 0.514 53.542 53.050 -0.037 0.000 0.881 522 N CB 0.033 38.489 38.487 -0.051 0.000 0.972 522 N HN 0.264 nan 8.380 nan 0.000 0.435 523 E N 1.374 121.554 120.200 -0.032 0.000 2.166 523 E HA 0.078 4.427 4.350 -0.001 0.000 0.279 523 E C 0.389 177.011 176.600 0.037 0.000 1.095 523 E CA 0.017 56.414 56.400 -0.005 0.000 0.888 523 E CB 0.353 30.070 29.700 0.027 0.000 1.041 523 E HN 0.098 nan 8.360 nan 0.000 0.414 524 R N 3.328 123.803 120.500 -0.042 0.000 2.200 524 R HA -0.152 4.187 4.340 -0.001 0.000 0.234 524 R C 0.339 176.715 176.300 0.127 0.000 1.127 524 R CA 1.069 57.153 56.100 -0.027 0.000 0.989 524 R CB -0.113 30.082 30.300 -0.174 0.000 0.869 524 R HN 0.561 nan 8.270 nan 0.000 0.459 525 Y N -1.189 119.114 120.300 0.004 0.000 2.583 525 Y HA 0.109 4.659 4.550 -0.001 0.000 0.294 525 Y C -0.177 175.772 175.900 0.082 0.000 1.170 525 Y CA -1.422 56.676 58.100 -0.002 0.000 1.265 525 Y CB -0.831 37.620 38.460 -0.014 0.000 1.119 525 Y HN -0.012 nan 8.280 nan 0.000 0.522 526 Y N 0.498 120.883 120.300 0.142 0.000 2.320 526 Y HA 0.552 5.102 4.550 -0.001 0.000 0.324 526 Y C 0.958 176.907 175.900 0.081 0.000 1.190 526 Y CA 0.287 58.443 58.100 0.093 0.000 1.215 526 Y CB 0.709 39.208 38.460 0.065 0.000 1.221 526 Y HN 0.378 nan 8.280 nan 0.000 0.486 527 G N 3.526 111.833 108.800 -0.822 0.000 2.645 527 G HA2 -0.373 3.586 3.960 -0.001 0.000 0.239 527 G HA3 -0.373 3.586 3.960 -0.001 0.000 0.239 527 G C 0.026 174.737 174.900 -0.315 0.000 1.331 527 G CA 0.343 44.984 45.100 -0.764 0.000 0.890 527 G HN 0.760 nan 8.290 nan 0.000 0.572 528 Y N 0.453 120.698 120.300 -0.092 0.000 2.081 528 Y HA -0.124 4.425 4.550 -0.001 0.000 0.280 528 Y C 3.516 179.439 175.900 0.038 0.000 1.163 528 Y CA 2.753 60.839 58.100 -0.024 0.000 1.135 528 Y CB -1.074 37.353 38.460 -0.054 0.000 0.970 528 Y HN 0.566 nan 8.280 nan 0.000 0.498 529 T N -0.980 113.714 114.554 0.233 0.000 2.812 529 T HA -0.087 4.263 4.350 -0.001 0.000 0.264 529 T C 2.242 177.068 174.700 0.210 0.000 1.042 529 T CA 1.305 63.570 62.100 0.276 0.000 1.140 529 T CB -0.915 68.128 68.868 0.292 0.000 0.870 529 T HN 0.545 nan 8.240 nan 0.000 0.445 530 G N 1.021 109.893 108.800 0.120 0.000 2.422 530 G HA2 0.014 3.973 3.960 -0.001 0.000 0.218 530 G HA3 0.014 3.973 3.960 -0.001 0.000 0.218 530 G C 1.764 176.645 174.900 -0.031 0.000 1.140 530 G CA 0.779 45.927 45.100 0.080 0.000 0.775 530 G HN 0.567 nan 8.290 nan 0.000 0.545 531 A N 0.135 122.947 122.820 -0.014 0.000 2.014 531 A HA 0.172 4.492 4.320 -0.001 0.000 0.218 531 A C 2.063 179.586 177.584 -0.101 0.000 1.163 531 A CA 1.210 53.200 52.037 -0.077 0.000 0.652 531 A CB -0.417 18.583 19.000 -0.001 0.000 0.808 531 A HN 0.358 nan 8.150 nan 0.000 0.449 532 F N 0.636 120.512 119.950 -0.123 0.000 2.146 532 F HA -0.070 4.457 4.527 -0.001 0.000 0.298 532 F C 2.285 177.992 175.800 -0.156 0.000 1.096 532 F CA 1.728 59.665 58.000 -0.105 0.000 1.275 532 F CB -0.294 38.702 39.000 -0.007 0.000 1.008 532 F HN 0.209 nan 8.300 nan 0.000 0.480 533 R N -0.359 119.897 120.500 -0.406 0.000 2.096 533 R HA -0.221 4.118 4.340 -0.001 0.000 0.235 533 R C 2.619 178.462 176.300 -0.762 0.000 1.127 533 R CA 1.702 57.295 56.100 -0.844 0.000 0.968 533 R CB -1.199 28.375 30.300 -1.211 0.000 0.861 533 R HN 0.556 nan 8.270 nan 0.000 0.440 534 c N 0.472 118.482 118.600 -0.983 0.000 2.429 534 c HA -0.076 4.493 4.570 -0.001 0.000 0.277 534 c C 2.523 176.249 174.090 -0.607 0.000 1.262 534 c CA 0.821 56.373 56.329 -1.294 0.000 1.733 534 c CB -1.054 40.710 42.510 -1.244 0.000 2.010 534 c HN 0.650 nan 8.230 nan 0.000 0.483 535 L N 1.920 122.859 121.223 -0.474 0.000 2.072 535 L HA 0.193 4.532 4.340 -0.001 0.000 0.205 535 L C 2.683 179.421 176.870 -0.220 0.000 1.079 535 L CA 2.385 57.040 54.840 -0.308 0.000 0.752 535 L CB -0.869 41.030 42.059 -0.267 0.000 0.906 535 L HN 0.327 nan 8.230 nan 0.000 0.436 536 A N -0.977 121.652 122.820 -0.319 0.000 1.972 536 A HA -0.173 4.146 4.320 -0.001 0.000 0.219 536 A C 2.067 179.635 177.584 -0.027 0.000 1.169 536 A CA 1.656 53.631 52.037 -0.103 0.000 0.635 536 A CB -0.551 18.381 19.000 -0.115 0.000 0.810 536 A HN 0.617 nan 8.150 nan 0.000 0.446 537 E N -0.530 119.608 120.200 -0.104 0.000 2.476 537 E HA 0.013 4.362 4.350 -0.001 0.000 0.191 537 E C -0.498 176.089 176.600 -0.021 0.000 1.064 537 E CA 0.136 56.522 56.400 -0.024 0.000 0.866 537 E CB -0.258 29.437 29.700 -0.009 0.000 0.952 537 E HN 0.787 nan 8.360 nan 0.000 0.492 538 N N -0.656 118.012 118.700 -0.054 0.000 2.714 538 N HA -0.297 4.442 4.740 -0.001 0.000 0.250 538 N C 0.770 176.261 175.510 -0.032 0.000 1.117 538 N CA 0.235 53.259 53.050 -0.044 0.000 0.719 538 N CB -0.966 37.511 38.487 -0.018 0.000 1.081 538 N HN 0.231 nan 8.380 nan 0.000 0.557 539 A N -0.150 122.642 122.820 -0.048 0.000 1.872 539 A HA 0.325 4.645 4.320 -0.001 0.000 0.214 539 A C 1.396 178.957 177.584 -0.039 0.000 1.187 539 A CA 1.556 53.592 52.037 -0.001 0.000 0.614 539 A CB -0.134 18.915 19.000 0.082 0.000 0.826 539 A HN 0.485 nan 8.150 nan 0.000 0.442 540 G N -2.042 106.689 108.800 -0.114 0.000 2.568 540 G HA2 0.466 4.426 3.960 -0.001 0.000 0.313 540 G HA3 0.466 4.426 3.960 -0.001 0.000 0.313 540 G C -0.599 174.232 174.900 -0.114 0.000 1.227 540 G CA -0.046 44.988 45.100 -0.109 0.000 0.979 540 G HN 0.037 nan 8.290 nan 0.000 0.486 541 D N -1.239 119.099 120.400 -0.104 0.000 2.355 541 D HA 0.077 4.716 4.640 -0.001 0.000 0.206 541 D C 0.434 176.659 176.300 -0.126 0.000 1.010 541 D CA 0.601 54.551 54.000 -0.084 0.000 0.875 541 D CB 1.465 42.244 40.800 -0.034 0.000 0.966 541 D HN 0.143 nan 8.370 nan 0.000 0.512 542 V N 0.063 119.835 119.914 -0.237 0.000 2.888 542 V HA 0.694 4.814 4.120 -0.001 0.000 0.309 542 V C -1.778 173.964 176.094 -0.585 0.000 1.114 542 V CA -0.796 61.270 62.300 -0.389 0.000 0.940 542 V CB 2.039 33.587 31.823 -0.458 0.000 1.021 542 V HN 0.047 nan 8.190 nan 0.000 0.426 543 A N 5.662 128.142 122.820 -0.567 0.000 2.343 543 A HA 0.872 5.191 4.320 -0.001 0.000 0.316 543 A C -1.360 175.916 177.584 -0.514 0.000 1.104 543 A CA -0.367 51.398 52.037 -0.454 0.000 0.768 543 A CB 0.989 19.885 19.000 -0.174 0.000 1.213 543 A HN 0.744 nan 8.150 nan 0.000 0.456 544 F N 3.013 122.928 119.950 -0.058 0.000 2.303 544 F HA 0.485 5.012 4.527 -0.000 0.000 0.368 544 F C 0.676 176.543 175.800 0.112 0.000 1.105 544 F CA -0.310 57.711 58.000 0.035 0.000 1.153 544 F CB 1.168 40.175 39.000 0.011 0.000 1.362 544 F HN 0.535 nan 8.300 nan 0.000 0.511 545 V N -0.134 119.943 119.914 0.271 0.000 3.149 545 V HA 0.678 4.797 4.120 -0.001 0.000 0.310 545 V C -0.769 175.486 176.094 0.269 0.000 1.353 545 V CA -1.375 61.117 62.300 0.319 0.000 1.040 545 V CB 1.889 33.855 31.823 0.237 0.000 1.136 545 V HN 0.426 nan 8.190 nan 0.000 0.477 546 K N -0.007 120.463 120.400 0.118 0.000 2.185 546 K HA 0.474 4.793 4.320 -0.001 0.000 0.240 546 K C 0.362 176.905 176.600 -0.096 0.000 0.983 546 K CA 0.091 56.381 56.287 0.005 0.000 0.873 546 K CB 1.581 33.968 32.500 -0.188 0.000 1.118 546 K HN 0.722 nan 8.250 nan 0.000 0.441 547 D N 1.162 121.515 120.400 -0.079 0.000 2.144 547 D HA -0.165 4.475 4.640 -0.001 0.000 0.199 547 D C 1.585 177.778 176.300 -0.177 0.000 0.984 547 D CA 1.086 55.027 54.000 -0.098 0.000 0.834 547 D CB -0.601 40.164 40.800 -0.057 0.000 0.955 547 D HN 0.263 nan 8.370 nan 0.000 0.465 548 V N 1.096 120.869 119.914 -0.236 0.000 2.594 548 V HA -0.214 3.905 4.120 -0.001 0.000 0.253 548 V C 2.625 178.523 176.094 -0.327 0.000 1.069 548 V CA 1.965 64.098 62.300 -0.279 0.000 1.082 548 V CB -1.014 30.600 31.823 -0.348 0.000 0.680 548 V HN 0.299 nan 8.190 nan 0.000 0.469 549 T N 0.467 114.801 114.554 -0.367 0.000 2.684 549 T HA -0.192 4.157 4.350 -0.001 0.000 0.267 549 T C 1.969 176.322 174.700 -0.579 0.000 1.036 549 T CA 1.842 63.704 62.100 -0.395 0.000 1.148 549 T CB -0.306 68.396 68.868 -0.277 0.000 0.863 549 T HN 0.363 nan 8.240 nan 0.000 0.436 550 V N 1.413 120.962 119.914 -0.608 0.000 2.287 550 V HA -0.146 3.974 4.120 -0.001 0.000 0.248 550 V C 2.481 178.244 176.094 -0.551 0.000 1.053 550 V CA 1.341 63.135 62.300 -0.843 0.000 1.027 550 V CB -0.871 30.649 31.823 -0.505 0.000 0.646 550 V HN 0.287 nan 8.190 nan 0.000 0.447 551 L N 0.013 121.032 121.223 -0.340 0.000 2.012 551 L HA -0.223 4.117 4.340 -0.001 0.000 0.210 551 L C 2.565 179.300 176.870 -0.226 0.000 1.073 551 L CA 1.864 56.569 54.840 -0.225 0.000 0.748 551 L CB -1.161 40.792 42.059 -0.176 0.000 0.891 551 L HN 0.401 nan 8.230 nan 0.000 0.431 552 Q N -0.917 118.732 119.800 -0.252 0.000 2.488 552 Q HA -0.069 4.271 4.340 -0.001 0.000 0.211 552 Q C 0.865 176.750 176.000 -0.191 0.000 0.967 552 Q CA 0.603 56.288 55.803 -0.197 0.000 0.926 552 Q CB -0.054 28.570 28.738 -0.189 0.000 0.992 552 Q HN 0.551 nan 8.270 nan 0.000 0.506 553 N N 0.376 118.911 118.700 -0.276 0.000 2.171 553 N HA 0.030 4.769 4.740 -0.001 0.000 0.212 553 N C -0.010 175.415 175.510 -0.141 0.000 1.184 553 N CA 0.383 53.309 53.050 -0.206 0.000 0.888 553 N CB 1.194 39.585 38.487 -0.160 0.000 1.038 553 N HN 0.216 nan 8.380 nan 0.000 0.517 554 T N -2.897 111.567 114.554 -0.150 0.000 2.910 554 T HA 0.334 4.683 4.350 -0.001 0.000 0.287 554 T C -0.330 174.344 174.700 -0.044 0.000 1.050 554 T CA -0.417 61.658 62.100 -0.042 0.000 1.011 554 T CB 1.981 70.860 68.868 0.019 0.000 1.195 554 T HN -0.126 nan 8.240 nan 0.000 0.540 555 D N 0.038 120.440 120.400 0.003 0.000 2.751 555 D HA -0.153 4.487 4.640 -0.001 0.000 0.233 555 D C 1.247 177.527 176.300 -0.034 0.000 1.149 555 D CA 2.097 56.093 54.000 -0.007 0.000 0.682 555 D CB -1.625 39.170 40.800 -0.008 0.000 1.068 555 D HN 1.634 nan 8.370 nan 0.000 0.429 556 G N -0.275 108.494 108.800 -0.051 0.000 2.162 556 G HA2 -0.418 3.542 3.960 -0.001 0.000 0.260 556 G HA3 -0.418 3.542 3.960 -0.001 0.000 0.260 556 G C 0.974 175.828 174.900 -0.077 0.000 0.976 556 G CA 0.446 45.507 45.100 -0.066 0.000 0.655 556 G HN 0.462 nan 8.290 nan 0.000 0.533 557 N N 0.353 119.002 118.700 -0.086 0.000 2.512 557 N HA -0.027 4.712 4.740 -0.001 0.000 0.183 557 N C 0.548 175.998 175.510 -0.100 0.000 1.073 557 N CA 0.996 53.993 53.050 -0.088 0.000 0.911 557 N CB 0.010 38.438 38.487 -0.098 0.000 0.964 557 N HN 0.599 nan 8.380 nan 0.000 0.447 558 N N 0.313 118.933 118.700 -0.134 0.000 2.346 558 N HA 0.122 4.861 4.740 -0.001 0.000 0.289 558 N C 0.173 175.574 175.510 -0.182 0.000 1.027 558 N CA -0.414 52.541 53.050 -0.159 0.000 0.864 558 N CB 1.229 39.588 38.487 -0.214 0.000 1.370 558 N HN -0.270 nan 8.380 nan 0.000 0.481 559 N N 1.637 120.260 118.700 -0.128 0.000 2.244 559 N HA -0.040 4.699 4.740 -0.001 0.000 0.183 559 N C -0.535 174.901 175.510 -0.123 0.000 1.016 559 N CA 0.846 53.835 53.050 -0.101 0.000 0.866 559 N CB 0.079 38.538 38.487 -0.047 0.000 0.980 559 N HN 0.636 nan 8.380 nan 0.000 0.430 560 E N -0.323 119.778 120.200 -0.165 0.000 2.502 560 E HA -0.036 4.313 4.350 -0.001 0.000 0.261 560 E C 0.793 177.242 176.600 -0.253 0.000 0.974 560 E CA 0.039 56.345 56.400 -0.157 0.000 0.936 560 E CB 0.635 30.279 29.700 -0.094 0.000 0.926 560 E HN 0.346 nan 8.360 nan 0.000 0.459 561 A N 5.701 128.489 122.820 -0.052 0.000 1.978 561 A HA -0.174 4.146 4.320 -0.001 0.000 0.220 561 A C 1.800 179.396 177.584 0.020 0.000 1.170 561 A CA 1.414 53.446 52.037 -0.008 0.000 0.636 561 A CB -0.709 18.327 19.000 0.059 0.000 0.810 561 A HN 0.953 nan 8.150 nan 0.000 0.448 562 W N -1.165 120.170 121.300 0.058 0.000 2.425 562 W HA 0.110 4.770 4.660 -0.001 0.000 0.277 562 W C 1.663 178.225 176.519 0.071 0.000 1.231 562 W CA 1.167 58.549 57.345 0.061 0.000 1.248 562 W CB -0.865 28.637 29.460 0.069 0.000 1.117 562 W HN 0.377 nan 8.180 nan 0.000 0.568 563 A N 0.982 123.317 122.820 -0.808 0.000 2.014 563 A HA 0.009 4.329 4.320 -0.001 0.000 0.210 563 A C 2.139 179.517 177.584 -0.342 0.000 1.188 563 A CA 0.474 51.995 52.037 -0.859 0.000 0.731 563 A CB -0.513 17.640 19.000 -1.412 0.000 0.858 563 A HN -0.064 nan 8.150 nan 0.000 0.464 564 K N 0.878 121.110 120.400 -0.280 0.000 2.044 564 K HA -0.215 4.105 4.320 -0.001 0.000 0.224 564 K C 0.376 176.935 176.600 -0.068 0.000 1.056 564 K CA 2.060 58.263 56.287 -0.141 0.000 0.962 564 K CB -0.529 31.915 32.500 -0.093 0.000 0.730 564 K HN 0.466 nan 8.250 nan 0.000 0.453 565 D N 0.790 121.175 120.400 -0.025 0.000 2.325 565 D HA 0.061 4.701 4.640 -0.001 0.000 0.234 565 D C 0.434 176.764 176.300 0.050 0.000 1.122 565 D CA 0.042 54.048 54.000 0.011 0.000 0.850 565 D CB -0.133 40.679 40.800 0.020 0.000 0.921 565 D HN 0.145 nan 8.370 nan 0.000 0.513 566 L N 1.079 122.344 121.223 0.070 0.000 2.461 566 L HA 0.100 4.439 4.340 -0.001 0.000 0.272 566 L C 0.858 177.842 176.870 0.190 0.000 1.197 566 L CA 0.225 55.182 54.840 0.196 0.000 0.836 566 L CB 0.572 42.795 42.059 0.274 0.000 1.105 566 L HN -0.276 nan 8.230 nan 0.000 0.477 567 K N 3.043 123.587 120.400 0.240 0.000 2.270 567 K HA 0.185 4.504 4.320 -0.001 0.000 0.255 567 K C 0.513 177.273 176.600 0.267 0.000 0.936 567 K CA -0.905 55.485 56.287 0.172 0.000 0.809 567 K CB 2.488 35.042 32.500 0.090 0.000 1.131 567 K HN 0.297 nan 8.250 nan 0.000 0.427 568 L N 3.414 124.747 121.223 0.183 0.000 2.034 568 L HA -0.250 4.090 4.340 -0.001 0.000 0.217 568 L C 1.939 178.952 176.870 0.238 0.000 1.077 568 L CA 2.423 57.385 54.840 0.203 0.000 0.769 568 L CB -0.999 41.108 42.059 0.080 0.000 0.890 568 L HN 0.894 nan 8.230 nan 0.000 0.435 569 A N -1.572 121.326 122.820 0.130 0.000 2.225 569 A HA -0.171 4.148 4.320 -0.001 0.000 0.215 569 A C 1.716 179.310 177.584 0.017 0.000 1.164 569 A CA 1.537 53.615 52.037 0.069 0.000 0.710 569 A CB -0.690 18.330 19.000 0.034 0.000 0.780 569 A HN 0.568 nan 8.150 nan 0.000 0.473 570 D N -1.606 118.791 120.400 -0.006 0.000 2.349 570 D HA 0.204 4.844 4.640 -0.001 0.000 0.215 570 D C -0.394 175.491 176.300 -0.691 0.000 1.016 570 D CA 0.428 54.219 54.000 -0.349 0.000 0.870 570 D CB 0.080 40.597 40.800 -0.472 0.000 0.917 570 D HN 0.414 nan 8.370 nan 0.000 0.524 571 F N 0.054 120.045 119.950 0.069 0.000 2.538 571 F HA 0.666 5.193 4.527 -0.001 0.000 0.325 571 F C 0.457 176.288 175.800 0.052 0.000 1.066 571 F CA -1.137 56.910 58.000 0.079 0.000 0.946 571 F CB 1.651 40.742 39.000 0.153 0.000 1.199 571 F HN -0.299 nan 8.300 nan 0.000 0.473 572 A N 1.395 124.344 122.820 0.214 0.000 2.486 572 A HA 0.915 5.235 4.320 -0.001 0.000 0.289 572 A C -2.042 175.623 177.584 0.135 0.000 1.176 572 A CA -0.687 51.428 52.037 0.130 0.000 0.757 572 A CB 1.523 20.568 19.000 0.075 0.000 1.337 572 A HN 0.560 nan 8.150 nan 0.000 0.423 573 L N -0.017 121.264 121.223 0.097 0.000 2.354 573 L HA 0.599 4.939 4.340 -0.001 0.000 0.269 573 L C -1.086 175.835 176.870 0.084 0.000 1.005 573 L CA -0.552 54.339 54.840 0.085 0.000 0.819 573 L CB 1.589 43.689 42.059 0.067 0.000 1.311 573 L HN 0.569 nan 8.230 nan 0.000 0.423 574 L N 2.725 124.010 121.223 0.104 0.000 2.257 574 L HA 0.442 4.782 4.340 -0.001 0.000 0.290 574 L C -0.511 176.403 176.870 0.072 0.000 1.044 574 L CA 0.026 54.956 54.840 0.150 0.000 0.810 574 L CB 0.732 42.954 42.059 0.272 0.000 1.193 574 L HN 0.622 nan 8.230 nan 0.000 0.425 575 c N 3.429 122.049 118.600 0.034 0.000 2.364 575 c HA 0.265 4.834 4.570 -0.001 0.000 0.356 575 c C 1.903 175.927 174.090 -0.109 0.000 1.201 575 c CA -1.001 55.286 56.329 -0.069 0.000 2.227 575 c CB 1.033 43.511 42.510 -0.054 0.000 2.387 575 c HN 0.680 nan 8.230 nan 0.000 0.546 576 L N 2.392 123.456 121.223 -0.264 0.000 2.261 576 L HA -0.092 4.247 4.340 -0.001 0.000 0.216 576 L C 2.012 178.830 176.870 -0.085 0.000 1.114 576 L CA 1.857 56.487 54.840 -0.350 0.000 0.777 576 L CB -0.812 41.032 42.059 -0.357 0.000 0.910 576 L HN 0.841 nan 8.230 nan 0.000 0.440 577 D N -2.352 118.025 120.400 -0.039 0.000 2.328 577 D HA 0.161 4.800 4.640 -0.001 0.000 0.221 577 D C 1.562 177.900 176.300 0.063 0.000 1.072 577 D CA 0.705 54.714 54.000 0.015 0.000 0.850 577 D CB -0.008 40.784 40.800 -0.013 0.000 0.922 577 D HN 0.230 nan 8.370 nan 0.000 0.516 578 G N -0.087 108.780 108.800 0.112 0.000 2.195 578 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.246 578 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.246 578 G C 0.317 175.267 174.900 0.084 0.000 0.984 578 G CA 0.148 45.321 45.100 0.121 0.000 0.633 578 G HN 0.481 nan 8.290 nan 0.000 0.525 579 K N -0.035 120.399 120.400 0.056 0.000 2.117 579 K HA 0.724 5.043 4.320 -0.001 0.000 0.240 579 K C 0.521 177.152 176.600 0.052 0.000 1.031 579 K CA -0.356 55.956 56.287 0.042 0.000 0.909 579 K CB 0.557 33.070 32.500 0.021 0.000 1.097 579 K HN 0.241 nan 8.250 nan 0.000 0.492 580 R N 0.805 121.331 120.500 0.044 0.000 2.534 580 R HA 0.389 4.728 4.340 -0.001 0.000 0.301 580 R C -0.811 175.511 176.300 0.037 0.000 0.961 580 R CA -0.738 55.391 56.100 0.049 0.000 0.871 580 R CB 1.795 32.124 30.300 0.047 0.000 1.170 580 R HN 0.347 nan 8.270 nan 0.000 0.446 581 K N 2.310 122.734 120.400 0.040 0.000 2.477 581 K HA 0.467 4.787 4.320 -0.001 0.000 0.255 581 K C -2.701 173.925 176.600 0.044 0.000 0.952 581 K CA -2.243 54.064 56.287 0.034 0.000 0.826 581 K CB 2.518 35.034 32.500 0.026 0.000 1.331 581 K HN 0.279 nan 8.250 nan 0.000 0.437 582 P HA 0.005 nan 4.420 nan 0.000 0.272 582 P C 0.805 178.134 177.300 0.048 0.000 1.230 582 P CA -0.367 62.761 63.100 0.047 0.000 0.788 582 P CB 0.563 32.284 31.700 0.035 0.000 0.949 583 V N 1.135 121.086 119.914 0.061 0.000 2.568 583 V HA -0.223 3.897 4.120 -0.001 0.000 0.253 583 V C 2.082 178.186 176.094 0.017 0.000 1.072 583 V CA 2.696 65.022 62.300 0.044 0.000 1.084 583 V CB -1.842 30.013 31.823 0.055 0.000 0.676 583 V HN 0.723 nan 8.190 nan 0.000 0.469 584 T N -1.489 113.073 114.554 0.015 0.000 3.113 584 T HA -0.060 4.290 4.350 -0.001 0.000 0.263 584 T C 0.960 175.664 174.700 0.006 0.000 1.143 584 T CA 0.734 62.835 62.100 0.002 0.000 1.090 584 T CB -0.285 68.585 68.868 0.002 0.000 0.922 584 T HN 0.686 nan 8.240 nan 0.000 0.521 585 E N 0.765 120.975 120.200 0.018 0.000 2.499 585 E HA 0.498 4.847 4.350 -0.001 0.000 0.207 585 E C 1.617 178.242 176.600 0.042 0.000 1.034 585 E CA -0.102 56.312 56.400 0.024 0.000 1.098 585 E CB 0.258 29.972 29.700 0.022 0.000 1.148 585 E HN 0.553 nan 8.360 nan 0.000 0.447 586 A N 1.313 124.157 122.820 0.041 0.000 2.024 586 A HA -0.218 4.102 4.320 -0.001 0.000 0.220 586 A C 2.192 179.875 177.584 0.165 0.000 1.164 586 A CA 1.210 53.294 52.037 0.079 0.000 0.643 586 A CB -0.263 18.761 19.000 0.040 0.000 0.806 586 A HN 0.076 nan 8.150 nan 0.000 0.451 587 R N 0.810 121.376 120.500 0.110 0.000 2.139 587 R HA -0.130 4.209 4.340 -0.001 0.000 0.243 587 R C 2.020 178.458 176.300 0.231 0.000 1.145 587 R CA 2.013 58.194 56.100 0.135 0.000 0.976 587 R CB -0.380 29.948 30.300 0.047 0.000 0.866 587 R HN 0.640 nan 8.270 nan 0.000 0.449 588 S N -3.315 112.456 115.700 0.118 0.000 2.578 588 S HA 0.142 4.611 4.470 -0.001 0.000 0.231 588 S C 0.389 174.950 174.600 -0.065 0.000 0.994 588 S CA -0.266 57.947 58.200 0.021 0.000 0.956 588 S CB 0.139 63.343 63.200 0.007 0.000 0.870 588 S HN 0.248 nan 8.310 nan 0.000 0.494 589 c N 4.179 122.759 118.600 -0.034 0.000 3.421 589 c HA 0.483 5.052 4.570 -0.001 0.000 0.194 589 c C -0.427 173.641 174.090 -0.036 0.000 1.418 589 c CA -0.521 55.759 56.329 -0.081 0.000 1.226 589 c CB -1.149 41.354 42.510 -0.011 0.000 1.875 589 c HN 0.753 nan 8.230 nan 0.000 0.561 590 H N 0.237 119.271 119.070 -0.060 0.000 2.855 590 H HA 0.496 5.051 4.556 -0.001 0.000 0.363 590 H C 0.158 175.419 175.328 -0.111 0.000 1.185 590 H CA -0.842 55.169 56.048 -0.061 0.000 1.174 590 H CB 0.938 30.674 29.762 -0.043 0.000 1.857 590 H HN 0.262 nan 8.280 nan 0.000 0.565 591 L N 0.074 121.316 121.223 0.032 0.000 2.102 591 L HA 0.283 4.623 4.340 -0.001 0.000 0.202 591 L C 1.031 177.892 176.870 -0.015 0.000 1.076 591 L CA 1.343 56.117 54.840 -0.110 0.000 0.761 591 L CB -0.100 41.898 42.059 -0.102 0.000 0.921 591 L HN 0.808 nan 8.230 nan 0.000 0.444 592 A N -1.316 121.570 122.820 0.110 0.000 2.511 592 A HA 0.604 4.924 4.320 -0.001 0.000 0.293 592 A C -1.290 176.294 177.584 0.000 0.000 1.098 592 A CA -0.667 51.427 52.037 0.095 0.000 0.643 592 A CB 1.064 20.076 19.000 0.020 0.000 1.302 592 A HN -0.081 nan 8.150 nan 0.000 0.446 593 M N 0.679 120.228 119.600 -0.085 0.000 2.264 593 M HA 0.595 5.074 4.480 -0.001 0.000 0.352 593 M C 0.097 176.212 176.300 -0.307 0.000 1.173 593 M CA -0.325 54.838 55.300 -0.228 0.000 1.075 593 M CB 1.542 34.026 32.600 -0.193 0.000 1.621 593 M HN 0.994 nan 8.290 nan 0.000 0.457 594 A N 4.677 127.176 122.820 -0.535 0.000 2.350 594 A HA 0.903 5.222 4.320 -0.001 0.000 0.324 594 A C -2.638 174.576 177.584 -0.617 0.000 1.118 594 A CA -1.614 50.012 52.037 -0.685 0.000 0.783 594 A CB 0.880 19.251 19.000 -1.049 0.000 1.236 594 A HN 0.445 nan 8.150 nan 0.000 0.457 595 P HA 0.144 nan 4.420 nan 0.000 0.271 595 P C -0.542 176.897 177.300 0.231 0.000 1.218 595 P CA -0.282 62.703 63.100 -0.191 0.000 0.780 595 P CB 0.334 31.864 31.700 -0.285 0.000 0.901 596 N N 0.545 119.462 118.700 0.362 0.000 2.395 596 N HA -0.026 4.713 4.740 -0.001 0.000 0.246 596 N C 0.318 176.248 175.510 0.700 0.000 1.246 596 N CA 0.392 53.782 53.050 0.567 0.000 0.879 596 N CB -0.332 38.287 38.487 0.221 0.000 1.098 596 N HN 0.450 nan 8.380 nan 0.000 0.444 597 H N -0.017 119.349 119.070 0.495 0.000 2.790 597 H HA 0.362 4.918 4.556 -0.001 0.000 0.358 597 H C -0.262 175.235 175.328 0.282 0.000 1.103 597 H CA -0.515 55.774 56.048 0.401 0.000 1.426 597 H CB 0.623 30.626 29.762 0.402 0.000 1.424 597 H HN 0.531 nan 8.280 nan 0.000 0.599 598 A N 2.915 125.917 122.820 0.303 0.000 2.414 598 A HA 0.398 4.718 4.320 -0.001 0.000 0.306 598 A C -0.632 177.029 177.584 0.129 0.000 1.054 598 A CA -0.713 51.380 52.037 0.092 0.000 0.724 598 A CB 1.298 20.132 19.000 -0.276 0.000 1.267 598 A HN 0.469 nan 8.150 nan 0.000 0.418 599 V N 2.714 122.724 119.914 0.159 0.000 2.470 599 V HA 0.397 4.516 4.120 -0.001 0.000 0.276 599 V C 0.533 176.652 176.094 0.043 0.000 1.040 599 V CA 0.152 62.557 62.300 0.175 0.000 1.008 599 V CB 0.634 32.663 31.823 0.343 0.000 0.990 599 V HN 1.014 nan 8.190 nan 0.000 0.477 600 V N 2.792 122.692 119.914 -0.023 0.000 3.019 600 V HA 1.025 5.145 4.120 -0.001 0.000 0.317 600 V C -0.287 175.772 176.094 -0.058 0.000 1.094 600 V CA -0.160 62.119 62.300 -0.035 0.000 1.000 600 V CB 2.130 33.935 31.823 -0.029 0.000 1.060 600 V HN 0.834 nan 8.190 nan 0.000 0.443 601 S N 0.599 116.280 115.700 -0.032 0.000 2.755 601 S HA 0.575 5.044 4.470 -0.001 0.000 0.286 601 S C -1.170 173.421 174.600 -0.014 0.000 1.207 601 S CA -0.994 57.185 58.200 -0.035 0.000 0.892 601 S CB 1.602 64.794 63.200 -0.012 0.000 1.240 601 S HN 0.941 nan 8.310 nan 0.000 0.525 602 R N 1.114 121.610 120.500 -0.006 0.000 2.349 602 R HA 0.416 4.755 4.340 -0.001 0.000 0.299 602 R C 1.284 177.593 176.300 0.014 0.000 1.027 602 R CA -0.403 55.701 56.100 0.006 0.000 0.958 602 R CB 0.536 30.844 30.300 0.013 0.000 1.047 602 R HN 0.632 nan 8.270 nan 0.000 0.468 603 M N 1.809 121.415 119.600 0.011 0.000 2.146 603 M HA -0.274 4.205 4.480 -0.001 0.000 0.256 603 M C 1.505 177.821 176.300 0.027 0.000 1.075 603 M CA 1.887 57.196 55.300 0.014 0.000 1.082 603 M CB -0.384 32.215 32.600 -0.002 0.000 1.355 603 M HN 0.701 nan 8.290 nan 0.000 0.402 604 D N -0.328 120.089 120.400 0.028 0.000 2.310 604 D HA -0.179 4.461 4.640 -0.001 0.000 0.212 604 D C 1.671 177.995 176.300 0.041 0.000 0.965 604 D CA 1.118 55.142 54.000 0.039 0.000 0.879 604 D CB -0.145 40.675 40.800 0.034 0.000 0.921 604 D HN 0.276 nan 8.370 nan 0.000 0.510 605 K N 0.235 120.657 120.400 0.036 0.000 2.380 605 K HA 0.146 4.466 4.320 -0.001 0.000 0.198 605 K C 1.876 178.509 176.600 0.054 0.000 1.070 605 K CA 0.007 56.320 56.287 0.043 0.000 1.040 605 K CB 0.393 32.913 32.500 0.034 0.000 0.903 605 K HN -0.111 nan 8.250 nan 0.000 0.549 606 V N 1.838 121.782 119.914 0.050 0.000 2.250 606 V HA -0.323 3.796 4.120 -0.001 0.000 0.250 606 V C 1.859 177.994 176.094 0.068 0.000 1.060 606 V CA 2.154 64.489 62.300 0.057 0.000 1.030 606 V CB -0.379 31.471 31.823 0.045 0.000 0.643 606 V HN 0.369 nan 8.190 nan 0.000 0.445 607 E N -0.020 120.219 120.200 0.065 0.000 2.106 607 E HA -0.216 4.133 4.350 -0.001 0.000 0.192 607 E C 2.272 178.917 176.600 0.076 0.000 0.984 607 E CA 1.177 57.618 56.400 0.068 0.000 0.806 607 E CB -0.438 29.300 29.700 0.063 0.000 0.750 607 E HN 0.482 nan 8.360 nan 0.000 0.458 608 R N 1.255 121.801 120.500 0.076 0.000 2.075 608 R HA -0.095 4.245 4.340 -0.001 0.000 0.232 608 R C 2.254 178.613 176.300 0.099 0.000 1.126 608 R CA 0.794 56.939 56.100 0.076 0.000 0.963 608 R CB -0.788 29.551 30.300 0.065 0.000 0.858 608 R HN 0.218 nan 8.270 nan 0.000 0.435 609 L N 0.832 122.122 121.223 0.112 0.000 1.988 609 L HA -0.069 4.271 4.340 -0.001 0.000 0.207 609 L C 1.771 178.748 176.870 0.178 0.000 1.071 609 L CA 1.958 56.894 54.840 0.159 0.000 0.744 609 L CB -0.623 41.525 42.059 0.148 0.000 0.893 609 L HN 0.119 nan 8.230 nan 0.000 0.433 610 K N -0.637 119.850 120.400 0.145 0.000 2.020 610 K HA -0.311 4.009 4.320 -0.001 0.000 0.212 610 K C 2.149 178.839 176.600 0.150 0.000 1.050 610 K CA 2.206 58.578 56.287 0.142 0.000 0.929 610 K CB -0.421 32.140 32.500 0.102 0.000 0.714 610 K HN 0.556 nan 8.250 nan 0.000 0.443 611 Q N 0.933 120.809 119.800 0.126 0.000 2.062 611 Q HA -0.219 4.120 4.340 -0.001 0.000 0.209 611 Q C 1.991 178.083 176.000 0.154 0.000 0.996 611 Q CA 2.183 58.058 55.803 0.120 0.000 0.859 611 Q CB -0.057 28.733 28.738 0.086 0.000 0.920 611 Q HN 0.150 nan 8.270 nan 0.000 0.415 612 V N 0.892 120.902 119.914 0.159 0.000 2.358 612 V HA -0.247 3.873 4.120 -0.001 0.000 0.246 612 V C 2.361 178.639 176.094 0.306 0.000 1.047 612 V CA 1.477 63.892 62.300 0.192 0.000 1.035 612 V CB -0.469 31.451 31.823 0.162 0.000 0.658 612 V HN 0.394 nan 8.190 nan 0.000 0.452 613 L N -0.862 120.545 121.223 0.307 0.000 2.027 613 L HA -0.139 4.200 4.340 -0.001 0.000 0.206 613 L C 2.455 179.458 176.870 0.221 0.000 1.074 613 L CA 1.397 56.425 54.840 0.315 0.000 0.745 613 L CB -0.555 41.707 42.059 0.337 0.000 0.898 613 L HN 0.288 nan 8.230 nan 0.000 0.433 614 L N -0.608 120.727 121.223 0.187 0.000 1.990 614 L HA -0.331 4.008 4.340 -0.001 0.000 0.213 614 L C 2.837 179.769 176.870 0.102 0.000 1.072 614 L CA 1.703 56.619 54.840 0.126 0.000 0.755 614 L CB -0.986 41.143 42.059 0.116 0.000 0.889 614 L HN 0.449 nan 8.230 nan 0.000 0.432 615 H N -0.164 118.952 119.070 0.076 0.000 2.389 615 H HA -0.140 4.416 4.556 -0.001 0.000 0.299 615 H C 2.131 177.492 175.328 0.054 0.000 1.081 615 H CA 1.377 57.458 56.048 0.055 0.000 1.345 615 H CB 0.281 30.085 29.762 0.070 0.000 1.393 615 H HN 0.362 nan 8.280 nan 0.000 0.520 616 Q N 0.534 120.494 119.800 0.268 0.000 2.245 616 Q HA -0.086 4.254 4.340 -0.001 0.000 0.201 616 Q C 2.324 178.354 176.000 0.049 0.000 0.955 616 Q CA 0.587 56.575 55.803 0.307 0.000 0.870 616 Q CB -0.071 29.031 28.738 0.607 0.000 0.945 616 Q HN 0.636 nan 8.270 nan 0.000 0.461 617 Q N 0.076 119.874 119.800 -0.004 0.000 2.020 617 Q HA -0.132 4.208 4.340 -0.001 0.000 0.202 617 Q C 1.986 177.904 176.000 -0.136 0.000 0.982 617 Q CA 1.428 57.184 55.803 -0.078 0.000 0.838 617 Q CB -0.044 28.708 28.738 0.023 0.000 0.899 617 Q HN 0.348 nan 8.270 nan 0.000 0.423 618 A N 1.239 123.963 122.820 -0.160 0.000 1.903 618 A HA -0.273 4.047 4.320 -0.001 0.000 0.219 618 A C 1.945 179.350 177.584 -0.300 0.000 1.191 618 A CA 2.065 53.981 52.037 -0.202 0.000 0.638 618 A CB -0.434 18.426 19.000 -0.235 0.000 0.823 618 A HN 0.309 nan 8.150 nan 0.000 0.451 619 K N -2.164 117.946 120.400 -0.482 0.000 2.137 619 K HA 0.054 4.374 4.320 -0.001 0.000 0.202 619 K C 0.703 176.896 176.600 -0.679 0.000 1.052 619 K CA 1.241 57.096 56.287 -0.720 0.000 0.961 619 K CB -0.049 31.672 32.500 -1.299 0.000 0.741 619 K HN 0.544 nan 8.250 nan 0.000 0.452 620 F N 0.131 119.980 119.950 -0.169 0.000 2.706 620 F HA 0.270 4.796 4.527 -0.001 0.000 0.313 620 F C 1.256 176.800 175.800 -0.427 0.000 1.096 620 F CA -0.794 57.045 58.000 -0.269 0.000 1.219 620 F CB 0.000 38.846 39.000 -0.258 0.000 1.051 620 F HN -0.110 nan 8.300 nan 0.000 0.568 621 G N 0.137 108.814 108.800 -0.205 0.000 2.570 621 G HA2 0.148 4.108 3.960 -0.001 0.000 0.276 621 G HA3 0.148 4.108 3.960 -0.001 0.000 0.276 621 G C 1.102 176.003 174.900 0.002 0.000 1.346 621 G CA -0.303 44.726 45.100 -0.118 0.000 1.034 621 G HN -0.110 nan 8.290 nan 0.000 0.512 622 R N -0.309 120.281 120.500 0.151 0.000 2.112 622 R HA -0.097 4.242 4.340 -0.001 0.000 0.242 622 R C 0.668 176.970 176.300 0.004 0.000 1.137 622 R CA 1.157 57.298 56.100 0.068 0.000 0.944 622 R CB -1.003 29.324 30.300 0.045 0.000 0.857 622 R HN 0.550 nan 8.270 nan 0.000 0.435 623 N N -0.043 118.653 118.700 -0.006 0.000 2.706 623 N HA 0.385 5.125 4.740 -0.001 0.000 0.240 623 N C -1.134 174.348 175.510 -0.047 0.000 1.039 623 N CA -0.148 52.885 53.050 -0.027 0.000 0.888 623 N CB 1.700 40.172 38.487 -0.025 0.000 1.128 623 N HN 0.191 nan 8.380 nan 0.000 0.512 624 G N -0.471 108.293 108.800 -0.061 0.000 2.638 624 G HA2 0.245 4.204 3.960 -0.001 0.000 0.302 624 G HA3 0.245 4.204 3.960 -0.001 0.000 0.302 624 G C 0.886 175.726 174.900 -0.100 0.000 1.365 624 G CA -0.588 44.451 45.100 -0.101 0.000 0.987 624 G HN 0.387 nan 8.290 nan 0.000 0.495 625 S N 1.421 117.044 115.700 -0.129 0.000 2.390 625 S HA -0.258 4.212 4.470 -0.001 0.000 0.234 625 S C 1.124 175.675 174.600 -0.082 0.000 1.063 625 S CA 2.312 60.445 58.200 -0.111 0.000 1.108 625 S CB -0.244 62.872 63.200 -0.140 0.000 0.975 625 S HN 0.442 nan 8.310 nan 0.000 0.442 626 D N 0.252 120.588 120.400 -0.106 0.000 2.340 626 D HA 0.265 4.905 4.640 -0.001 0.000 0.217 626 D C 0.083 176.442 176.300 0.098 0.000 1.081 626 D CA 0.012 54.030 54.000 0.030 0.000 0.842 626 D CB 0.054 40.943 40.800 0.149 0.000 0.934 626 D HN 0.490 nan 8.370 nan 0.000 0.511 627 c N 2.015 120.633 118.600 0.030 0.000 2.303 627 c HA 0.508 5.078 4.570 -0.001 0.000 0.326 627 c C -1.784 172.296 174.090 -0.016 0.000 1.285 627 c CA -1.713 54.620 56.329 0.007 0.000 1.675 627 c CB 0.912 43.396 42.510 -0.043 0.000 2.289 627 c HN 0.021 nan 8.230 nan 0.000 0.512 628 P HA 0.192 nan 4.420 nan 0.000 0.261 628 P C 0.549 177.861 177.300 0.019 0.000 1.352 628 P CA 0.376 63.468 63.100 -0.014 0.000 0.891 628 P CB 0.146 31.832 31.700 -0.023 0.000 1.383 629 D N 0.793 121.215 120.400 0.036 0.000 2.103 629 D HA -0.187 4.453 4.640 -0.001 0.000 0.190 629 D C 1.795 178.142 176.300 0.079 0.000 0.997 629 D CA 1.541 55.572 54.000 0.050 0.000 0.833 629 D CB 0.203 41.032 40.800 0.048 0.000 0.961 629 D HN 0.198 nan 8.370 nan 0.000 0.447 630 K N -2.092 118.387 120.400 0.131 0.000 2.266 630 K HA 0.173 4.492 4.320 -0.001 0.000 0.209 630 K C 0.047 176.789 176.600 0.238 0.000 1.065 630 K CA -0.029 56.365 56.287 0.178 0.000 0.946 630 K CB 1.040 33.690 32.500 0.250 0.000 1.069 630 K HN 0.103 nan 8.250 nan 0.000 0.472 631 F N 0.684 120.660 119.950 0.043 0.000 2.628 631 F HA 0.334 4.860 4.527 -0.001 0.000 0.309 631 F C -1.831 173.918 175.800 -0.085 0.000 1.108 631 F CA -1.323 56.621 58.000 -0.093 0.000 0.971 631 F CB 1.537 40.340 39.000 -0.327 0.000 1.279 631 F HN -0.048 nan 8.300 nan 0.000 0.441 632 c N 6.679 124.648 118.600 -1.052 0.000 2.340 632 c HA 0.386 4.955 4.570 -0.001 0.000 0.323 632 c C 1.260 174.600 174.090 -1.250 0.000 1.260 632 c CA -0.684 55.163 56.329 -0.804 0.000 1.464 632 c CB 0.604 42.877 42.510 -0.395 0.000 2.156 632 c HN 1.001 nan 8.230 nan 0.000 0.476 633 L N 2.565 123.088 121.223 -1.165 0.000 2.046 633 L HA 0.034 4.374 4.340 -0.001 0.000 0.208 633 L C 1.385 177.783 176.870 -0.787 0.000 1.077 633 L CA 2.254 56.382 54.840 -1.186 0.000 0.747 633 L CB -0.356 40.855 42.059 -1.414 0.000 0.896 633 L HN 0.691 nan 8.230 nan 0.000 0.432 634 F N -0.856 118.889 119.950 -0.342 0.000 2.664 634 F HA 0.336 4.862 4.527 -0.001 0.000 0.301 634 F C 0.609 176.330 175.800 -0.132 0.000 1.126 634 F CA -0.508 57.380 58.000 -0.187 0.000 1.373 634 F CB -0.548 38.333 39.000 -0.198 0.000 1.042 634 F HN 0.051 nan 8.300 nan 0.000 0.535 635 Q N -0.452 119.301 119.800 -0.078 0.000 2.375 635 Q HA 0.568 4.907 4.340 -0.001 0.000 0.271 635 Q C 0.462 176.425 176.000 -0.061 0.000 1.074 635 Q CA -0.218 55.549 55.803 -0.059 0.000 0.808 635 Q CB 2.272 30.954 28.738 -0.093 0.000 1.327 635 Q HN 0.195 nan 8.270 nan 0.000 0.441 636 S N 0.289 115.989 115.700 0.000 0.000 2.462 636 S HA 0.107 4.577 4.470 -0.001 0.000 0.269 636 S C -0.389 174.232 174.600 0.034 0.000 1.005 636 S CA 0.081 58.302 58.200 0.035 0.000 1.260 636 S CB 0.629 63.877 63.200 0.080 0.000 0.990 636 S HN 0.548 nan 8.310 nan 0.000 0.477 637 E N 2.173 122.389 120.200 0.026 0.000 7.423 637 E HA -0.152 4.198 4.350 -0.001 0.000 0.390 637 E C 0.437 177.059 176.600 0.037 0.000 0.628 637 E CA 1.555 57.963 56.400 0.014 0.000 1.042 637 E CB -1.629 28.069 29.700 -0.004 0.000 0.940 637 E HN 1.328 nan 8.360 nan 0.000 0.271 638 T N 1.465 116.037 114.554 0.030 0.000 7.894 638 T HA -0.373 3.976 4.350 -0.001 0.000 0.344 638 T C 1.076 175.846 174.700 0.116 0.000 1.622 638 T CA 2.266 64.398 62.100 0.054 0.000 2.550 638 T CB -0.657 68.235 68.868 0.039 0.000 2.738 638 T HN 0.486 nan 8.240 nan 0.000 1.238 639 K N 1.186 121.652 120.400 0.110 0.000 2.099 639 K HA 0.146 4.466 4.320 -0.001 0.000 0.203 639 K C 1.291 177.986 176.600 0.158 0.000 1.047 639 K CA 1.127 57.497 56.287 0.139 0.000 0.963 639 K CB -0.342 32.227 32.500 0.116 0.000 0.759 639 K HN 0.707 nan 8.250 nan 0.000 0.451 640 N N 0.616 119.406 118.700 0.150 0.000 2.758 640 N HA -0.187 4.553 4.740 -0.001 0.000 0.248 640 N C -0.982 174.652 175.510 0.207 0.000 1.076 640 N CA 0.506 53.667 53.050 0.185 0.000 0.696 640 N CB -1.849 36.766 38.487 0.214 0.000 0.979 640 N HN 0.159 nan 8.380 nan 0.000 0.550 641 L N 0.697 122.032 121.223 0.188 0.000 2.281 641 L HA 0.318 4.657 4.340 -0.001 0.000 0.285 641 L C 1.938 178.912 176.870 0.172 0.000 1.074 641 L CA -0.483 54.464 54.840 0.178 0.000 0.817 641 L CB 0.543 42.695 42.059 0.155 0.000 1.168 641 L HN 0.200 nan 8.230 nan 0.000 0.434 642 L N 1.196 122.500 121.223 0.136 0.000 3.417 642 L HA -0.330 4.010 4.340 -0.001 0.000 0.368 642 L C -0.292 176.439 176.870 -0.232 0.000 0.810 642 L CA 1.476 56.310 54.840 -0.011 0.000 3.108 642 L CB -1.179 40.803 42.059 -0.128 0.000 0.687 642 L HN 0.409 nan 8.230 nan 0.000 0.756 643 F N -0.323 119.796 119.950 0.281 0.000 2.599 643 F HA 0.441 4.968 4.527 -0.001 0.000 0.311 643 F C 0.671 176.613 175.800 0.236 0.000 1.076 643 F CA -0.896 57.289 58.000 0.308 0.000 0.937 643 F CB 0.953 40.179 39.000 0.377 0.000 1.282 643 F HN -0.109 nan 8.300 nan 0.000 0.460 644 N N 1.381 120.326 118.700 0.408 0.000 2.441 644 N HA -0.045 4.695 4.740 -0.001 0.000 0.251 644 N C 0.142 175.736 175.510 0.139 0.000 1.242 644 N CA 0.190 53.348 53.050 0.179 0.000 0.898 644 N CB 0.791 39.252 38.487 -0.043 0.000 1.100 644 N HN 0.643 nan 8.380 nan 0.000 0.443 645 D N 0.673 121.108 120.400 0.059 0.000 2.310 645 D HA -0.120 4.519 4.640 -0.001 0.000 0.212 645 D C 0.877 177.161 176.300 -0.027 0.000 0.965 645 D CA 1.146 55.168 54.000 0.037 0.000 0.879 645 D CB -0.145 40.660 40.800 0.009 0.000 0.921 645 D HN 0.685 nan 8.370 nan 0.000 0.510 646 N N -0.852 117.787 118.700 -0.101 0.000 2.295 646 N HA 0.010 4.749 4.740 -0.001 0.000 0.221 646 N C -0.445 175.054 175.510 -0.017 0.000 1.129 646 N CA -0.189 52.791 53.050 -0.117 0.000 0.836 646 N CB 0.406 38.747 38.487 -0.243 0.000 1.040 646 N HN -0.300 nan 8.380 nan 0.000 0.494 647 T N 0.504 115.026 114.554 -0.054 0.000 2.761 647 T HA 0.014 4.364 4.350 -0.001 0.000 0.296 647 T C 0.803 175.245 174.700 -0.431 0.000 0.934 647 T CA -0.259 61.698 62.100 -0.238 0.000 1.091 647 T CB 1.686 70.184 68.868 -0.617 0.000 0.896 647 T HN 0.287 nan 8.240 nan 0.000 0.515 648 E N 1.160 121.157 120.200 -0.338 0.000 2.076 648 E HA 0.025 4.374 4.350 -0.001 0.000 0.190 648 E C 0.842 177.247 176.600 -0.326 0.000 0.979 648 E CA 0.556 56.804 56.400 -0.254 0.000 0.807 648 E CB 0.309 29.916 29.700 -0.154 0.000 0.761 648 E HN 0.864 nan 8.360 nan 0.000 0.454 649 c N -2.341 115.979 118.600 -0.467 0.000 3.259 649 c HA 0.515 5.084 4.570 -0.001 0.000 0.344 649 c C -1.147 172.710 174.090 -0.388 0.000 1.401 649 c CA -1.426 54.680 56.329 -0.373 0.000 1.219 649 c CB 0.052 42.486 42.510 -0.128 0.000 1.521 649 c HN 0.097 nan 8.230 nan 0.000 0.455 650 L N 2.184 123.298 121.223 -0.180 0.000 2.312 650 L HA 0.699 5.039 4.340 -0.001 0.000 0.281 650 L C 0.653 177.491 176.870 -0.054 0.000 1.070 650 L CA 0.200 54.989 54.840 -0.084 0.000 0.805 650 L CB 1.321 43.411 42.059 0.052 0.000 1.174 650 L HN 1.093 nan 8.230 nan 0.000 0.434 651 A N 4.020 126.808 122.820 -0.055 0.000 2.430 651 A HA 0.730 5.050 4.320 -0.001 0.000 0.300 651 A C -0.523 177.024 177.584 -0.062 0.000 1.124 651 A CA -0.887 51.120 52.037 -0.049 0.000 0.766 651 A CB 1.369 20.332 19.000 -0.060 0.000 1.328 651 A HN 0.639 nan 8.150 nan 0.000 0.424 652 R N 0.041 120.474 120.500 -0.111 0.000 2.827 652 R HA 0.177 4.516 4.340 -0.001 0.000 0.269 652 R C 0.248 176.336 176.300 -0.354 0.000 1.048 652 R CA -0.195 55.778 56.100 -0.212 0.000 1.173 652 R CB 0.146 30.281 30.300 -0.276 0.000 1.070 652 R HN 0.700 nan 8.270 nan 0.000 0.498 653 L N 0.763 121.807 121.223 -0.298 0.000 2.513 653 L HA 0.047 4.387 4.340 -0.001 0.000 0.222 653 L C -0.090 176.668 176.870 -0.186 0.000 1.096 653 L CA 0.088 54.829 54.840 -0.165 0.000 0.857 653 L CB -0.150 41.896 42.059 -0.021 0.000 1.026 653 L HN 0.657 nan 8.230 nan 0.000 0.469 654 H N -0.122 118.984 119.070 0.061 0.000 2.826 654 H HA -0.159 4.396 4.556 -0.001 0.000 0.306 654 H C 1.458 176.814 175.328 0.047 0.000 1.235 654 H CA 0.760 56.836 56.048 0.047 0.000 1.150 654 H CB -1.867 27.918 29.762 0.039 0.000 1.409 654 H HN 0.540 nan 8.280 nan 0.000 0.420 655 G N -0.352 108.515 108.800 0.112 0.000 2.212 655 G HA2 -0.394 3.565 3.960 -0.001 0.000 0.266 655 G HA3 -0.394 3.565 3.960 -0.001 0.000 0.266 655 G C 0.679 175.628 174.900 0.081 0.000 0.978 655 G CA 0.570 45.719 45.100 0.082 0.000 0.632 655 G HN 0.500 nan 8.290 nan 0.000 0.537 656 K N 1.783 122.248 120.400 0.109 0.000 2.686 656 K HA 0.289 4.608 4.320 -0.001 0.000 0.244 656 K C 1.432 178.125 176.600 0.155 0.000 1.262 656 K CA 0.698 57.070 56.287 0.142 0.000 1.199 656 K CB -0.208 32.409 32.500 0.196 0.000 1.428 656 K HN 0.446 nan 8.250 nan 0.000 0.247 657 T N -2.516 112.095 114.554 0.094 0.000 3.251 657 T HA 0.018 4.367 4.350 -0.001 0.000 0.259 657 T C 0.358 175.101 174.700 0.071 0.000 0.998 657 T CA -0.549 61.592 62.100 0.070 0.000 0.905 657 T CB -0.136 68.759 68.868 0.044 0.000 1.067 657 T HN 0.252 nan 8.240 nan 0.000 0.569 658 T N -1.138 113.471 114.554 0.092 0.000 2.886 658 T HA 0.402 4.752 4.350 -0.001 0.000 0.292 658 T C 0.860 175.640 174.700 0.133 0.000 1.012 658 T CA -0.773 61.379 62.100 0.086 0.000 0.982 658 T CB 1.302 70.173 68.868 0.006 0.000 1.018 658 T HN 0.264 nan 8.240 nan 0.000 0.451 659 Y N 2.045 122.418 120.300 0.122 0.000 2.132 659 Y HA -0.181 4.368 4.550 -0.002 0.000 0.280 659 Y C 2.036 178.071 175.900 0.224 0.000 1.193 659 Y CA 1.911 60.125 58.100 0.190 0.000 1.157 659 Y CB -0.668 37.867 38.460 0.125 0.000 0.966 659 Y HN 0.739 nan 8.280 nan 0.000 0.511 660 E N 0.717 120.525 120.200 -0.654 0.000 2.058 660 E HA -0.201 4.148 4.350 -0.001 0.000 0.194 660 E C 2.164 178.702 176.600 -0.103 0.000 0.997 660 E CA 1.709 57.829 56.400 -0.466 0.000 0.801 660 E CB -0.150 29.200 29.700 -0.584 0.000 0.746 660 E HN 0.620 nan 8.360 nan 0.000 0.450 661 K N -0.102 120.271 120.400 -0.044 0.000 2.001 661 K HA -0.165 4.154 4.320 -0.001 0.000 0.208 661 K C 2.225 178.870 176.600 0.075 0.000 1.048 661 K CA 1.152 57.453 56.287 0.023 0.000 0.932 661 K CB -0.359 32.165 32.500 0.039 0.000 0.715 661 K HN 0.137 nan 8.250 nan 0.000 0.437 662 Y N 1.296 121.622 120.300 0.043 0.000 2.128 662 Y HA -0.231 4.319 4.550 -0.001 0.000 0.284 662 Y C 1.765 177.725 175.900 0.099 0.000 1.154 662 Y CA 1.322 59.469 58.100 0.078 0.000 1.149 662 Y CB -0.076 38.447 38.460 0.105 0.000 0.976 662 Y HN -0.073 nan 8.280 nan 0.000 0.505 663 L N 0.023 121.281 121.223 0.058 0.000 2.270 663 L HA 0.253 4.593 4.340 -0.001 0.000 0.210 663 L C 1.237 178.137 176.870 0.049 0.000 1.104 663 L CA 1.420 56.297 54.840 0.061 0.000 0.804 663 L CB -1.332 40.979 42.059 0.421 0.000 0.937 663 L HN 0.456 nan 8.230 nan 0.000 0.450 664 G N -0.561 108.268 108.800 0.049 0.000 2.716 664 G HA2 -0.164 3.796 3.960 -0.001 0.000 0.686 664 G HA3 -0.164 3.796 3.960 -0.001 0.000 0.686 664 G C -1.772 173.177 174.900 0.082 0.000 1.337 664 G CA -0.230 44.891 45.100 0.036 0.000 0.829 664 G HN 0.091 nan 8.290 nan 0.000 0.599 665 P HA -0.162 nan 4.420 nan 0.000 0.218 665 P C 1.539 178.874 177.300 0.058 0.000 1.149 665 P CA 1.995 65.123 63.100 0.047 0.000 0.817 665 P CB 0.058 31.773 31.700 0.025 0.000 0.785 666 Q N -1.544 118.297 119.800 0.068 0.000 2.269 666 Q HA -0.144 4.195 4.340 -0.001 0.000 0.201 666 Q C 2.191 178.247 176.000 0.093 0.000 0.946 666 Q CA 0.873 56.715 55.803 0.065 0.000 0.877 666 Q CB -1.297 27.475 28.738 0.056 0.000 0.963 666 Q HN 0.230 nan 8.270 nan 0.000 0.472 667 Y N 2.646 122.945 120.300 -0.002 0.000 2.145 667 Y HA -0.197 4.353 4.550 -0.000 0.000 0.286 667 Y C 2.346 178.248 175.900 0.002 0.000 1.145 667 Y CA 1.016 59.114 58.100 -0.003 0.000 1.148 667 Y CB -0.308 38.153 38.460 0.002 0.000 0.981 667 Y HN -0.112 nan 8.280 nan 0.000 0.507 668 V N 0.288 120.190 119.914 -0.019 0.000 2.255 668 V HA -0.366 3.754 4.120 -0.001 0.000 0.247 668 V C 2.693 178.739 176.094 -0.080 0.000 1.051 668 V CA 2.000 64.293 62.300 -0.011 0.000 1.018 668 V CB -1.762 30.150 31.823 0.148 0.000 0.641 668 V HN 0.514 nan 8.190 nan 0.000 0.445 669 A N 0.622 123.427 122.820 -0.025 0.000 1.883 669 A HA -0.151 4.168 4.320 -0.001 0.000 0.217 669 A C 2.448 179.998 177.584 -0.056 0.000 1.186 669 A CA 2.250 54.280 52.037 -0.011 0.000 0.624 669 A CB -1.421 17.588 19.000 0.015 0.000 0.822 669 A HN 0.552 nan 8.150 nan 0.000 0.444 670 G N 0.027 108.766 108.800 -0.101 0.000 2.446 670 G HA2 -0.177 3.782 3.960 -0.001 0.000 0.217 670 G HA3 -0.177 3.782 3.960 -0.001 0.000 0.217 670 G C 1.354 176.141 174.900 -0.188 0.000 1.168 670 G CA 1.233 46.266 45.100 -0.111 0.000 0.771 670 G HN 0.383 nan 8.290 nan 0.000 0.551 671 I N 1.259 121.596 120.570 -0.387 0.000 2.315 671 I HA -0.081 4.088 4.170 -0.001 0.000 0.248 671 I C 2.862 178.775 176.117 -0.339 0.000 1.117 671 I CA 1.233 62.246 61.300 -0.478 0.000 1.404 671 I CB -1.705 35.760 38.000 -0.893 0.000 1.071 671 I HN 0.082 nan 8.210 nan 0.000 0.419 672 T N 1.154 115.554 114.554 -0.255 0.000 2.652 672 T HA -0.210 4.140 4.350 -0.001 0.000 0.267 672 T C 1.857 176.554 174.700 -0.005 0.000 1.039 672 T CA 1.797 63.867 62.100 -0.050 0.000 1.153 672 T CB -0.404 68.496 68.868 0.052 0.000 0.863 672 T HN 0.375 nan 8.240 nan 0.000 0.428 673 N N 0.490 119.195 118.700 0.008 0.000 2.061 673 N HA -0.070 4.670 4.740 -0.001 0.000 0.193 673 N C 1.916 177.441 175.510 0.025 0.000 1.030 673 N CA 1.045 54.144 53.050 0.080 0.000 0.856 673 N CB -0.206 38.371 38.487 0.150 0.000 1.023 673 N HN 0.288 nan 8.380 nan 0.000 0.424 674 L N 1.229 122.417 121.223 -0.058 0.000 2.141 674 L HA -0.094 4.246 4.340 -0.001 0.000 0.209 674 L C 2.061 178.900 176.870 -0.050 0.000 1.094 674 L CA 0.898 55.658 54.840 -0.132 0.000 0.763 674 L CB -0.143 41.850 42.059 -0.110 0.000 0.908 674 L HN 0.140 nan 8.230 nan 0.000 0.437 675 K N -0.089 120.294 120.400 -0.028 0.000 2.365 675 K HA -0.115 4.204 4.320 -0.001 0.000 0.199 675 K C 1.849 178.460 176.600 0.018 0.000 1.045 675 K CA 0.459 56.760 56.287 0.022 0.000 0.962 675 K CB 0.078 32.606 32.500 0.047 0.000 0.759 675 K HN 0.349 nan 8.250 nan 0.000 0.469 676 K N 0.576 120.976 120.400 0.001 0.000 2.009 676 K HA -0.160 4.160 4.320 -0.001 0.000 0.210 676 K C 2.284 178.867 176.600 -0.029 0.000 1.049 676 K CA 1.756 58.049 56.287 0.009 0.000 0.929 676 K CB -0.324 32.203 32.500 0.046 0.000 0.714 676 K HN 0.182 nan 8.250 nan 0.000 0.440 677 c N 0.482 119.021 118.600 -0.102 0.000 2.413 677 c HA -0.044 4.526 4.570 -0.001 0.000 0.277 677 c C 1.620 175.631 174.090 -0.133 0.000 1.265 677 c CA 0.424 56.641 56.329 -0.186 0.000 1.752 677 c CB -0.723 41.516 42.510 -0.452 0.000 1.998 677 c HN 0.538 nan 8.230 nan 0.000 0.489 678 S N -2.428 113.245 115.700 -0.044 0.000 2.558 678 S HA 0.486 4.955 4.470 -0.001 0.000 0.277 678 S C -0.907 173.718 174.600 0.041 0.000 1.143 678 S CA -0.300 57.899 58.200 -0.002 0.000 0.865 678 S CB 1.438 64.642 63.200 0.007 0.000 1.102 678 S HN 0.191 nan 8.310 nan 0.000 0.454 679 T N 1.286 115.857 114.554 0.028 0.000 2.664 679 T HA 0.889 5.238 4.350 -0.001 0.000 0.232 679 T C -0.473 174.241 174.700 0.024 0.000 0.958 679 T CA 0.265 62.388 62.100 0.039 0.000 1.095 679 T CB 0.878 69.769 68.868 0.039 0.000 1.938 679 T HN 1.690 nan 8.240 nan 0.000 0.536 680 S N -0.094 115.619 115.700 0.022 0.000 2.547 680 S HA 0.467 4.936 4.470 -0.001 0.000 0.270 680 S C -2.522 172.079 174.600 0.001 0.000 1.150 680 S CA -1.051 57.154 58.200 0.008 0.000 0.850 680 S CB 1.453 64.667 63.200 0.023 0.000 1.118 680 S HN 0.335 nan 8.310 nan 0.000 0.461 681 P HA -0.137 nan 4.420 nan 0.000 0.218 681 P C 1.545 178.831 177.300 -0.023 0.000 1.154 681 P CA 1.013 64.096 63.100 -0.029 0.000 0.872 681 P CB -0.001 31.675 31.700 -0.039 0.000 0.790 682 L N -1.446 119.770 121.223 -0.011 0.000 2.068 682 L HA 0.014 4.354 4.340 -0.001 0.000 0.204 682 L C 2.557 179.431 176.870 0.006 0.000 1.076 682 L CA 1.222 56.057 54.840 -0.008 0.000 0.753 682 L CB -1.134 40.919 42.059 -0.009 0.000 0.910 682 L HN -0.180 nan 8.230 nan 0.000 0.439 683 L N -0.497 120.739 121.223 0.021 0.000 2.079 683 L HA -0.253 4.087 4.340 -0.001 0.000 0.210 683 L C 2.568 179.456 176.870 0.030 0.000 1.081 683 L CA 1.630 56.485 54.840 0.025 0.000 0.752 683 L CB -0.362 41.734 42.059 0.062 0.000 0.896 683 L HN 0.481 nan 8.230 nan 0.000 0.433 684 E N -0.234 119.982 120.200 0.028 0.000 2.023 684 E HA -0.267 4.083 4.350 -0.001 0.000 0.196 684 E C 2.086 178.719 176.600 0.055 0.000 1.003 684 E CA 1.471 57.889 56.400 0.031 0.000 0.809 684 E CB -0.007 29.692 29.700 -0.002 0.000 0.755 684 E HN 0.558 nan 8.360 nan 0.000 0.449 685 A N 0.729 123.566 122.820 0.029 0.000 1.873 685 A HA -0.245 4.074 4.320 -0.001 0.000 0.218 685 A C 2.589 180.250 177.584 0.128 0.000 1.193 685 A CA 1.874 53.937 52.037 0.043 0.000 0.629 685 A CB -1.095 17.905 19.000 -0.001 0.000 0.826 685 A HN 0.481 nan 8.150 nan 0.000 0.447 686 c N -1.236 117.406 118.600 0.070 0.000 2.435 686 c HA -0.001 4.568 4.570 -0.001 0.000 0.279 686 c C 2.668 176.804 174.090 0.077 0.000 1.321 686 c CA 1.124 57.490 56.329 0.060 0.000 1.752 686 c CB -1.123 41.385 42.510 -0.003 0.000 1.959 686 c HN 0.627 nan 8.230 nan 0.000 0.500 687 E N 0.381 120.630 120.200 0.082 0.000 2.106 687 E HA -0.125 4.224 4.350 -0.001 0.000 0.192 687 E C 1.668 178.336 176.600 0.113 0.000 0.984 687 E CA 0.833 57.281 56.400 0.080 0.000 0.806 687 E CB -0.505 29.238 29.700 0.071 0.000 0.750 687 E HN 0.721 nan 8.360 nan 0.000 0.458 688 F N 0.413 120.366 119.950 0.005 0.000 2.146 688 F HA -0.077 4.449 4.527 -0.002 0.000 0.298 688 F C 1.643 177.452 175.800 0.015 0.000 1.096 688 F CA 1.137 59.139 58.000 0.004 0.000 1.275 688 F CB -0.096 38.903 39.000 -0.001 0.000 1.008 688 F HN -0.039 nan 8.300 nan 0.000 0.480 689 L N 0.255 121.538 121.223 0.101 0.000 2.465 689 L HA -0.027 4.312 4.340 -0.001 0.000 0.224 689 L C 1.834 178.723 176.870 0.031 0.000 1.145 689 L CA 0.749 55.588 54.840 -0.002 0.000 0.834 689 L CB -0.441 41.680 42.059 0.103 0.000 0.944 689 L HN 0.112 nan 8.230 nan 0.000 0.451 690 R N -0.550 119.983 120.500 0.055 0.000 2.437 690 R HA 0.151 4.491 4.340 -0.001 0.000 0.257 690 R C 0.665 177.028 176.300 0.104 0.000 0.927 690 R CA -0.107 56.073 56.100 0.134 0.000 1.078 690 R CB 0.558 30.917 30.300 0.099 0.000 1.161 690 R HN 0.194 nan 8.270 nan 0.000 0.529 691 K N 0.000 120.378 120.400 -0.036 0.000 2.780 691 K HA 0.000 4.319 4.320 -0.001 0.000 0.191 691 K CA 0.000 56.229 56.287 -0.097 0.000 0.838 691 K CB 0.000 32.422 32.500 -0.130 0.000 1.064 691 K HN 0.000 nan 8.250 nan 0.000 0.543