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 3jqz_1_B DATA FIRST_RESID 1 DATA SEQUENCE DAHKSEVAHR FKDLGEENFK ALVLIAFAQY LQQCPFEDHV KLVNEVTEFA DATA SEQUENCE KTcVADESAE NcDKSLHTLF GDKLcTVATL RETYGEMADC cAKQEPERNE DATA SEQUENCE CFLQHKDDNP NLPRLVRPEV DVMcTAFHDN EETFLKKYLY EIARRHPYFY DATA SEQUENCE APELLFFAKR YKAAFTEccQ AADKAAcLLP KLDELRDEGK ASSAKQRLKc DATA SEQUENCE ASLQKFGERA FKAWAVARLS QRFPKAEFAE VSKLVTDLTK VHTEccHGDL DATA SEQUENCE LEcADDRADL AKYIcENQDS ISSKLKEccE KPLLEKSHcI AEVENDEMPA DATA SEQUENCE DLPSLAADFV ESKDVcKNYA EAKDVFLGMF LYEYARRHPD YSVVLLLRLA DATA SEQUENCE KTYETTLEKc cAAADPHEcY AKVFDEFKPL VEEPQNLIKQ NcELFEQLGE DATA SEQUENCE YKFQNALLVR YTKKVPQVST PTLVEVSRNL GKVGSKccKH PEAKRMPcAE DATA SEQUENCE DYLSVVLNQL cVLHEKTPVS DRVTKccTES LVNRRPcFSA LEVDETYVPK DATA SEQUENCE EFNAETFTFH ADIcTLSEKE RQIKKQTALV ELVKHKPKAT KEQLKAVMDD DATA SEQUENCE FAAFVEKccK ADDKETcFAE EGKKLVAASQ AA 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 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.344 176.300 0.073 0.000 2.045 1 D CA 0.000 54.077 54.000 0.128 0.000 0.868 1 D CB 0.000 40.951 40.800 0.252 0.000 0.688 2 A N -0.200 122.631 122.820 0.018 0.000 2.573 2 A HA 0.614 4.934 4.320 0.001 0.000 0.299 2 A C -1.670 175.793 177.584 -0.203 0.000 1.060 2 A CA -0.281 51.722 52.037 -0.057 0.000 0.736 2 A CB 1.251 20.234 19.000 -0.029 0.000 1.280 2 A HN 0.642 nan 8.150 nan 0.000 0.401 3 H N 1.069 119.987 119.070 -0.255 0.000 2.915 3 H HA 0.167 4.724 4.556 0.001 0.000 0.263 3 H C 0.157 175.430 175.328 -0.092 0.000 1.373 3 H CA 0.074 55.965 56.048 -0.261 0.000 1.354 3 H CB 1.270 30.693 29.762 -0.565 0.000 1.866 3 H HN 0.764 nan 8.280 nan 0.000 0.479 4 K N 1.271 121.325 120.400 -0.577 0.000 1.978 4 K HA -0.039 4.281 4.320 0.001 0.000 0.221 4 K C 0.502 177.177 176.600 0.126 0.000 1.036 4 K CA 1.809 57.962 56.287 -0.223 0.000 0.996 4 K CB -0.729 31.580 32.500 -0.318 0.000 0.755 4 K HN 0.224 nan 8.250 nan 0.000 0.445 5 S N 0.939 116.813 115.700 0.291 0.000 3.530 5 S HA 0.044 4.515 4.470 0.001 0.000 0.279 5 S C 0.700 175.532 174.600 0.387 0.000 1.280 5 S CA -0.144 58.243 58.200 0.313 0.000 0.946 5 S CB -0.423 62.902 63.200 0.207 0.000 1.501 5 S HN 0.429 nan 8.310 nan 0.000 0.498 6 E N 3.003 123.409 120.200 0.345 0.000 2.265 6 E HA -0.108 4.243 4.350 0.001 0.000 0.196 6 E C 1.491 178.242 176.600 0.252 0.000 0.996 6 E CA 1.013 57.607 56.400 0.324 0.000 0.832 6 E CB 0.053 29.929 29.700 0.293 0.000 0.756 6 E HN 0.693 nan 8.360 nan 0.000 0.491 7 V N 0.555 120.613 119.914 0.241 0.000 2.392 7 V HA -0.253 3.867 4.120 0.001 0.000 0.249 7 V C 2.132 178.339 176.094 0.189 0.000 1.059 7 V CA 1.926 64.382 62.300 0.260 0.000 1.051 7 V CB -0.428 31.583 31.823 0.313 0.000 0.658 7 V HN 0.419 nan 8.190 nan 0.000 0.455 8 A N -1.137 121.736 122.820 0.088 0.000 2.197 8 A HA 0.013 4.334 4.320 0.001 0.000 0.210 8 A C 1.976 179.547 177.584 -0.022 0.000 1.180 8 A CA 0.741 52.777 52.037 -0.003 0.000 0.846 8 A CB -0.593 18.358 19.000 -0.082 0.000 0.884 8 A HN 0.656 nan 8.150 nan 0.000 0.487 9 H N 0.231 119.163 119.070 -0.230 0.000 2.456 9 H HA 0.030 4.586 4.556 0.001 0.000 0.296 9 H C 1.916 177.187 175.328 -0.096 0.000 1.079 9 H CA 1.714 57.521 56.048 -0.402 0.000 1.322 9 H CB 0.103 29.560 29.762 -0.509 0.000 1.388 9 H HN 0.223 nan 8.280 nan 0.000 0.538 10 R N -0.841 119.574 120.500 -0.142 0.000 2.156 10 R HA -0.026 4.315 4.340 0.001 0.000 0.207 10 R C 1.722 178.051 176.300 0.048 0.000 1.040 10 R CA 0.569 56.611 56.100 -0.098 0.000 1.013 10 R CB -0.846 29.499 30.300 0.076 0.000 0.931 10 R HN 0.359 nan 8.270 nan 0.000 0.465 11 F N 2.302 122.204 119.950 -0.079 0.000 2.583 11 F HA -0.119 4.408 4.527 0.001 0.000 0.297 11 F C 1.402 177.111 175.800 -0.151 0.000 1.131 11 F CA 1.220 59.082 58.000 -0.229 0.000 1.467 11 F CB 0.351 39.088 39.000 -0.439 0.000 1.097 11 F HN -0.190 nan 8.300 nan 0.000 0.586 12 K N -0.877 119.533 120.400 0.016 0.000 2.353 12 K HA 0.090 4.410 4.320 0.001 0.000 0.195 12 K C 0.786 177.353 176.600 -0.055 0.000 1.031 12 K CA 0.337 56.622 56.287 -0.004 0.000 1.079 12 K CB 0.143 32.654 32.500 0.019 0.000 0.857 12 K HN 0.237 nan 8.250 nan 0.000 0.535 13 D N 0.535 120.881 120.400 -0.090 0.000 2.338 13 D HA 0.085 4.726 4.640 0.001 0.000 0.208 13 D C 1.768 178.025 176.300 -0.071 0.000 0.997 13 D CA 0.555 54.507 54.000 -0.079 0.000 0.880 13 D CB 0.600 41.337 40.800 -0.106 0.000 0.980 13 D HN 0.154 nan 8.370 nan 0.000 0.509 14 L N -2.601 118.567 121.223 -0.091 0.000 2.600 14 L HA 0.463 4.804 4.340 0.001 0.000 0.213 14 L C 1.130 177.883 176.870 -0.196 0.000 1.045 14 L CA 0.153 54.939 54.840 -0.090 0.000 0.863 14 L CB -0.570 41.475 42.059 -0.023 0.000 1.189 14 L HN -0.114 nan 8.230 nan 0.000 0.484 15 G N 1.955 110.501 108.800 -0.424 0.000 2.415 15 G HA2 -0.254 3.706 3.960 0.001 0.000 0.283 15 G HA3 -0.254 3.706 3.960 0.001 0.000 0.283 15 G C -0.010 174.483 174.900 -0.679 0.000 1.014 15 G CA 0.804 45.435 45.100 -0.782 0.000 1.323 15 G HN 0.717 nan 8.290 nan 0.000 0.502 16 E N -0.947 118.737 120.200 -0.860 0.000 8.039 16 E HA -0.202 4.149 4.350 0.001 0.000 0.466 16 E C 0.898 177.453 176.600 -0.075 0.000 0.756 16 E CA 1.482 57.705 56.400 -0.296 0.000 1.317 16 E CB -0.145 29.457 29.700 -0.163 0.000 0.985 16 E HN 1.452 nan 8.360 nan 0.000 0.302 17 E N 1.005 121.225 120.200 0.032 0.000 4.976 17 E HA -0.339 4.011 4.350 0.001 0.000 0.222 17 E C 0.507 177.122 176.600 0.025 0.000 0.944 17 E CA 2.334 58.755 56.400 0.035 0.000 1.778 17 E CB -1.323 28.390 29.700 0.021 0.000 1.790 17 E HN 0.542 nan 8.360 nan 0.000 0.404 18 N N -1.720 116.982 118.700 0.003 0.000 2.299 18 N HA 0.202 4.943 4.740 0.001 0.000 0.187 18 N C 0.935 176.453 175.510 0.013 0.000 1.099 18 N CA 0.854 53.902 53.050 -0.002 0.000 0.867 18 N CB 0.066 38.538 38.487 -0.024 0.000 0.974 18 N HN 0.294 nan 8.380 nan 0.000 0.477 19 F N 0.483 120.345 119.950 -0.147 0.000 2.557 19 F HA 0.370 4.898 4.527 0.001 0.000 0.278 19 F C 1.474 177.232 175.800 -0.069 0.000 1.051 19 F CA 0.400 58.318 58.000 -0.137 0.000 1.357 19 F CB 0.270 39.112 39.000 -0.262 0.000 1.104 19 F HN -0.172 nan 8.300 nan 0.000 0.654 20 K N 0.475 120.985 120.400 0.185 0.000 2.442 20 K HA 0.003 4.324 4.320 0.001 0.000 0.198 20 K C 1.828 178.416 176.600 -0.019 0.000 1.044 20 K CA 0.920 57.264 56.287 0.095 0.000 0.948 20 K CB -0.168 32.405 32.500 0.122 0.000 0.762 20 K HN 0.356 nan 8.250 nan 0.000 0.472 21 A N 0.878 123.676 122.820 -0.037 0.000 1.942 21 A HA 0.091 4.412 4.320 0.001 0.000 0.209 21 A C 1.951 179.475 177.584 -0.100 0.000 1.214 21 A CA 0.189 52.203 52.037 -0.038 0.000 0.686 21 A CB -0.248 18.751 19.000 -0.002 0.000 0.871 21 A HN 0.096 nan 8.150 nan 0.000 0.460 22 L N 0.032 121.159 121.223 -0.160 0.000 2.191 22 L HA -0.140 4.201 4.340 0.001 0.000 0.212 22 L C 2.330 179.048 176.870 -0.254 0.000 1.103 22 L CA 0.814 55.534 54.840 -0.200 0.000 0.769 22 L CB -0.276 41.646 42.059 -0.229 0.000 0.908 22 L HN 0.254 nan 8.230 nan 0.000 0.438 23 V N -0.540 119.161 119.914 -0.355 0.000 2.488 23 V HA -0.221 3.900 4.120 0.001 0.000 0.246 23 V C 2.182 178.106 176.094 -0.283 0.000 1.046 23 V CA 1.049 63.103 62.300 -0.411 0.000 1.053 23 V CB -0.129 31.372 31.823 -0.538 0.000 0.679 23 V HN 0.306 nan 8.190 nan 0.000 0.458 24 L N -0.317 120.812 121.223 -0.157 0.000 2.275 24 L HA -0.040 4.301 4.340 0.001 0.000 0.215 24 L C 1.949 178.811 176.870 -0.014 0.000 1.119 24 L CA 1.685 56.501 54.840 -0.040 0.000 0.790 24 L CB -0.364 41.700 42.059 0.007 0.000 0.919 24 L HN 0.215 nan 8.230 nan 0.000 0.443 25 I N -0.984 119.556 120.570 -0.050 0.000 2.188 25 I HA -0.198 3.973 4.170 0.001 0.000 0.237 25 I C 2.588 178.686 176.117 -0.032 0.000 1.073 25 I CA 0.997 62.262 61.300 -0.058 0.000 1.359 25 I CB -0.817 37.127 38.000 -0.093 0.000 1.083 25 I HN 0.252 nan 8.210 nan 0.000 0.412 26 A N 0.952 123.762 122.820 -0.017 0.000 1.927 26 A HA -0.257 4.064 4.320 0.001 0.000 0.220 26 A C 2.303 180.133 177.584 0.411 0.000 1.185 26 A CA 1.789 53.863 52.037 0.061 0.000 0.639 26 A CB -1.237 17.818 19.000 0.091 0.000 0.820 26 A HN 0.396 nan 8.150 nan 0.000 0.451 27 F N -0.394 119.694 119.950 0.229 0.000 2.084 27 F HA -0.116 4.412 4.527 0.001 0.000 0.296 27 F C 2.812 178.709 175.800 0.162 0.000 1.111 27 F CA 0.529 58.700 58.000 0.285 0.000 1.224 27 F CB -0.161 38.991 39.000 0.253 0.000 0.991 27 F HN 0.307 nan 8.300 nan 0.000 0.471 28 A N -0.631 122.190 122.820 0.002 0.000 2.216 28 A HA -0.170 4.150 4.320 0.001 0.000 0.214 28 A C 1.820 179.372 177.584 -0.054 0.000 1.160 28 A CA 1.103 52.969 52.037 -0.285 0.000 0.725 28 A CB -0.541 18.320 19.000 -0.230 0.000 0.784 28 A HN 0.506 nan 8.150 nan 0.000 0.472 29 Q N -2.399 117.369 119.800 -0.054 0.000 2.402 29 Q HA 0.023 4.364 4.340 0.001 0.000 0.206 29 Q C 1.020 176.901 176.000 -0.198 0.000 0.919 29 Q CA 0.643 56.343 55.803 -0.172 0.000 0.923 29 Q CB 0.086 28.634 28.738 -0.317 0.000 1.048 29 Q HN 0.822 nan 8.270 nan 0.000 0.515 30 Y N -0.186 120.156 120.300 0.071 0.000 2.284 30 Y HA 0.041 4.591 4.550 0.001 0.000 0.293 30 Y C 1.123 177.088 175.900 0.110 0.000 1.140 30 Y CA 0.136 58.266 58.100 0.049 0.000 1.153 30 Y CB 0.254 38.722 38.460 0.014 0.000 1.114 30 Y HN -0.046 nan 8.280 nan 0.000 0.521 31 L N 2.777 124.193 121.223 0.323 0.000 2.821 31 L HA 0.039 4.380 4.340 0.001 0.000 0.239 31 L C 0.907 178.028 176.870 0.419 0.000 1.391 31 L CA 0.657 55.689 54.840 0.319 0.000 1.231 31 L CB -1.139 40.996 42.059 0.126 0.000 1.598 31 L HN 0.499 nan 8.230 nan 0.000 0.428 32 Q N -0.979 118.989 119.800 0.280 0.000 2.308 32 Q HA -0.215 4.126 4.340 0.001 0.000 0.209 32 Q C 1.500 177.624 176.000 0.208 0.000 0.985 32 Q CA 1.199 57.109 55.803 0.178 0.000 0.881 32 Q CB 0.226 29.008 28.738 0.073 0.000 0.917 32 Q HN 0.570 nan 8.270 nan 0.000 0.443 33 Q N 0.015 119.968 119.800 0.255 0.000 2.084 33 Q HA 0.014 4.355 4.340 0.001 0.000 0.194 33 Q C 0.915 177.068 176.000 0.255 0.000 0.969 33 Q CA 0.305 56.231 55.803 0.205 0.000 0.829 33 Q CB -0.390 28.427 28.738 0.133 0.000 0.904 33 Q HN 0.323 nan 8.270 nan 0.000 0.464 34 C N 4.325 123.777 119.300 0.255 0.000 2.378 34 C HA -0.002 4.459 4.460 0.001 0.000 0.395 34 C C -1.606 173.502 174.990 0.196 0.000 1.476 34 C CA -1.042 58.045 59.018 0.116 0.000 1.541 34 C CB -0.742 26.929 27.740 -0.113 0.000 2.524 34 C HN 0.314 nan 8.230 nan 0.000 0.595 35 P HA -0.011 nan 4.420 nan 0.000 0.281 35 P C 0.737 178.076 177.300 0.065 0.000 1.274 35 P CA -0.122 63.101 63.100 0.205 0.000 0.794 35 P CB 0.247 32.013 31.700 0.110 0.000 1.201 36 F N 0.423 120.199 119.950 -0.291 0.000 2.118 36 F HA -0.088 4.440 4.527 0.001 0.000 0.293 36 F C 2.028 177.670 175.800 -0.262 0.000 1.102 36 F CA 1.604 59.207 58.000 -0.662 0.000 1.247 36 F CB -0.794 37.867 39.000 -0.565 0.000 1.017 36 F HN 0.170 nan 8.300 nan 0.000 0.475 37 E N 0.691 120.784 120.200 -0.178 0.000 2.171 37 E HA -0.220 4.131 4.350 0.001 0.000 0.197 37 E C 1.798 178.251 176.600 -0.245 0.000 0.997 37 E CA 1.686 57.956 56.400 -0.216 0.000 0.810 37 E CB -0.472 29.200 29.700 -0.046 0.000 0.738 37 E HN 0.439 nan 8.360 nan 0.000 0.467 38 D N -1.012 119.255 120.400 -0.221 0.000 2.123 38 D HA -0.109 4.532 4.640 0.001 0.000 0.200 38 D C 1.804 177.939 176.300 -0.274 0.000 0.976 38 D CA 0.919 54.774 54.000 -0.241 0.000 0.831 38 D CB -0.205 40.433 40.800 -0.270 0.000 0.974 38 D HN 0.325 nan 8.370 nan 0.000 0.469 39 H N 0.422 119.346 119.070 -0.245 0.000 2.326 39 H HA -0.072 4.485 4.556 0.001 0.000 0.301 39 H C 2.389 177.583 175.328 -0.223 0.000 1.081 39 H CA 1.476 57.426 56.048 -0.163 0.000 1.334 39 H CB -0.318 29.343 29.762 -0.169 0.000 1.385 39 H HN 0.076 nan 8.280 nan 0.000 0.504 40 V N 0.509 120.197 119.914 -0.377 0.000 2.231 40 V HA -0.290 3.831 4.120 0.001 0.000 0.248 40 V C 2.490 178.492 176.094 -0.154 0.000 1.054 40 V CA 2.391 64.486 62.300 -0.341 0.000 1.015 40 V CB -0.798 30.713 31.823 -0.520 0.000 0.638 40 V HN 0.241 nan 8.190 nan 0.000 0.444 41 K N 0.473 120.783 120.400 -0.149 0.000 2.015 41 K HA -0.221 4.100 4.320 0.001 0.000 0.216 41 K C 2.230 178.816 176.600 -0.024 0.000 1.052 41 K CA 2.611 58.850 56.287 -0.079 0.000 0.937 41 K CB -0.483 31.964 32.500 -0.089 0.000 0.719 41 K HN 0.564 nan 8.250 nan 0.000 0.446 42 L N 1.016 122.248 121.223 0.015 0.000 2.349 42 L HA -0.159 4.181 4.340 0.001 0.000 0.220 42 L C 2.292 179.227 176.870 0.108 0.000 1.130 42 L CA 0.551 55.482 54.840 0.153 0.000 0.791 42 L CB -0.141 42.118 42.059 0.334 0.000 0.918 42 L HN 0.132 nan 8.230 nan 0.000 0.444 43 V N -0.578 119.339 119.914 0.005 0.000 2.446 43 V HA -0.144 3.976 4.120 0.001 0.000 0.244 43 V C 2.066 178.163 176.094 0.005 0.000 1.039 43 V CA 1.266 63.515 62.300 -0.085 0.000 1.045 43 V CB -0.475 31.301 31.823 -0.078 0.000 0.681 43 V HN 0.476 nan 8.190 nan 0.000 0.459 44 N N 0.598 119.309 118.700 0.020 0.000 2.120 44 N HA -0.163 4.578 4.740 0.001 0.000 0.188 44 N C 1.751 177.300 175.510 0.065 0.000 1.024 44 N CA 1.301 54.381 53.050 0.049 0.000 0.852 44 N CB -0.307 38.194 38.487 0.023 0.000 1.003 44 N HN 0.566 nan 8.380 nan 0.000 0.424 45 E N 0.348 120.575 120.200 0.046 0.000 2.267 45 E HA -0.084 4.267 4.350 0.001 0.000 0.197 45 E C 1.596 178.249 176.600 0.088 0.000 0.998 45 E CA 0.686 57.117 56.400 0.052 0.000 0.830 45 E CB 0.176 29.889 29.700 0.022 0.000 0.751 45 E HN 0.180 nan 8.360 nan 0.000 0.491 46 V N 0.264 120.234 119.914 0.093 0.000 2.725 46 V HA -0.111 4.010 4.120 0.001 0.000 0.247 46 V C 2.184 178.465 176.094 0.311 0.000 1.058 46 V CA 1.338 63.736 62.300 0.164 0.000 1.080 46 V CB -0.204 31.652 31.823 0.055 0.000 0.713 46 V HN 0.209 nan 8.190 nan 0.000 0.465 47 T N 0.084 114.797 114.554 0.265 0.000 2.614 47 T HA -0.184 4.167 4.350 0.001 0.000 0.263 47 T C 1.927 176.683 174.700 0.094 0.000 1.055 47 T CA 1.801 64.048 62.100 0.244 0.000 1.162 47 T CB -0.234 68.767 68.868 0.222 0.000 0.863 47 T HN 0.351 nan 8.240 nan 0.000 0.414 48 E N 0.505 120.758 120.200 0.087 0.000 2.171 48 E HA -0.085 4.266 4.350 0.001 0.000 0.197 48 E C 1.610 178.231 176.600 0.035 0.000 0.997 48 E CA 0.762 57.184 56.400 0.035 0.000 0.810 48 E CB -0.459 29.270 29.700 0.048 0.000 0.738 48 E HN 0.591 nan 8.360 nan 0.000 0.467 49 F N 0.210 120.143 119.950 -0.028 0.000 2.128 49 F HA -0.011 4.517 4.527 0.001 0.000 0.295 49 F C 2.003 177.761 175.800 -0.070 0.000 1.100 49 F CA 1.361 59.343 58.000 -0.030 0.000 1.260 49 F CB -0.295 38.709 39.000 0.007 0.000 1.009 49 F HN 0.007 nan 8.300 nan 0.000 0.476 50 A N 0.123 122.928 122.820 -0.025 0.000 2.172 50 A HA -0.098 4.222 4.320 0.001 0.000 0.216 50 A C 2.124 179.368 177.584 -0.568 0.000 1.154 50 A CA 1.207 53.090 52.037 -0.256 0.000 0.701 50 A CB -0.658 18.298 19.000 -0.074 0.000 0.789 50 A HN 0.491 nan 8.150 nan 0.000 0.465 51 K N -0.608 119.509 120.400 -0.471 0.000 2.116 51 K HA -0.062 4.259 4.320 0.001 0.000 0.203 51 K C 1.890 178.268 176.600 -0.370 0.000 1.052 51 K CA 1.495 57.491 56.287 -0.484 0.000 0.952 51 K CB -0.152 32.168 32.500 -0.300 0.000 0.729 51 K HN 0.638 nan 8.250 nan 0.000 0.446 52 T N -1.973 112.375 114.554 -0.344 0.000 3.160 52 T HA -0.011 4.340 4.350 0.001 0.000 0.257 52 T C 1.690 176.175 174.700 -0.360 0.000 1.147 52 T CA 0.311 62.229 62.100 -0.302 0.000 1.064 52 T CB -0.460 68.254 68.868 -0.257 0.000 0.949 52 T HN 0.118 nan 8.240 nan 0.000 0.526 53 c N 0.204 118.542 118.600 -0.436 0.000 2.912 53 c HA 0.370 4.941 4.570 0.001 0.000 0.274 53 c C 2.486 176.427 174.090 -0.248 0.000 1.248 53 c CA -0.387 55.738 56.329 -0.340 0.000 1.694 53 c CB -0.523 41.769 42.510 -0.365 0.000 2.024 53 c HN 0.487 nan 8.230 nan 0.000 0.605 54 V N 1.100 120.826 119.914 -0.314 0.000 3.052 54 V HA 0.011 4.132 4.120 0.001 0.000 0.254 54 V C 2.572 178.566 176.094 -0.167 0.000 1.100 54 V CA 1.637 63.787 62.300 -0.249 0.000 1.112 54 V CB -0.937 30.672 31.823 -0.358 0.000 0.738 54 V HN 0.516 nan 8.190 nan 0.000 0.469 55 A N 1.314 124.027 122.820 -0.178 0.000 1.835 55 A HA -0.117 4.204 4.320 0.001 0.000 0.215 55 A C 1.014 178.542 177.584 -0.093 0.000 1.199 55 A CA 1.928 53.890 52.037 -0.125 0.000 0.615 55 A CB -0.217 18.705 19.000 -0.130 0.000 0.838 55 A HN 0.679 nan 8.150 nan 0.000 0.444 56 D N -2.825 117.517 120.400 -0.098 0.000 2.966 56 D HA 0.278 4.919 4.640 0.001 0.000 0.222 56 D C -0.030 176.233 176.300 -0.061 0.000 1.292 56 D CA -0.411 53.551 54.000 -0.064 0.000 0.907 56 D CB 1.120 41.889 40.800 -0.051 0.000 1.621 56 D HN 0.036 nan 8.370 nan 0.000 0.557 57 E N 1.360 121.545 120.200 -0.026 0.000 2.164 57 E HA -0.213 4.138 4.350 0.001 0.000 0.206 57 E C 0.210 176.805 176.600 -0.008 0.000 1.032 57 E CA 1.578 57.982 56.400 0.007 0.000 0.832 57 E CB 0.076 29.789 29.700 0.023 0.000 0.742 57 E HN 0.392 nan 8.360 nan 0.000 0.460 58 S N -1.388 114.301 115.700 -0.019 0.000 2.474 58 S HA 0.662 5.132 4.470 0.001 0.000 0.320 58 S C -0.372 174.214 174.600 -0.024 0.000 1.067 58 S CA -0.157 58.036 58.200 -0.012 0.000 1.127 58 S CB 0.757 63.953 63.200 -0.008 0.000 0.971 58 S HN 0.352 nan 8.310 nan 0.000 0.472 59 A N 4.109 126.911 122.820 -0.030 0.000 3.191 59 A HA 0.638 4.959 4.320 0.001 0.000 0.191 59 A C 1.204 178.796 177.584 0.014 0.000 1.221 59 A CA 0.288 52.304 52.037 -0.035 0.000 1.399 59 A CB -0.637 18.302 19.000 -0.102 0.000 1.688 59 A HN 0.656 nan 8.150 nan 0.000 0.593 60 E N 0.688 120.911 120.200 0.038 0.000 1.997 60 E HA -0.138 4.212 4.350 0.001 0.000 0.201 60 E C 0.532 177.233 176.600 0.169 0.000 1.011 60 E CA 2.478 58.957 56.400 0.132 0.000 0.847 60 E CB -0.355 29.495 29.700 0.251 0.000 0.787 60 E HN 0.624 nan 8.360 nan 0.000 0.472 61 N N -1.648 117.236 118.700 0.307 0.000 2.387 61 N HA 0.175 4.916 4.740 0.001 0.000 0.259 61 N C 0.171 175.892 175.510 0.352 0.000 1.369 61 N CA -0.095 53.123 53.050 0.280 0.000 0.867 61 N CB 0.474 39.093 38.487 0.221 0.000 1.341 61 N HN 0.169 nan 8.380 nan 0.000 0.495 62 c N 1.261 120.004 118.600 0.239 0.000 2.411 62 c HA -0.143 4.428 4.570 0.001 0.000 0.279 62 c C 2.485 176.675 174.090 0.165 0.000 1.288 62 c CA 1.034 57.455 56.329 0.154 0.000 1.764 62 c CB -0.728 41.766 42.510 -0.026 0.000 1.974 62 c HN 0.642 nan 8.230 nan 0.000 0.498 63 D N 1.167 121.644 120.400 0.128 0.000 2.218 63 D HA -0.116 4.525 4.640 0.001 0.000 0.204 63 D C 0.742 177.117 176.300 0.125 0.000 0.976 63 D CA 0.751 54.815 54.000 0.107 0.000 0.853 63 D CB -0.452 40.390 40.800 0.070 0.000 0.939 63 D HN 0.470 nan 8.370 nan 0.000 0.481 64 K N 1.144 121.631 120.400 0.146 0.000 2.494 64 K HA 0.053 4.374 4.320 0.001 0.000 0.273 64 K C 1.140 177.835 176.600 0.159 0.000 0.970 64 K CA 0.001 56.372 56.287 0.139 0.000 0.963 64 K CB 0.657 33.240 32.500 0.138 0.000 0.913 64 K HN 0.232 nan 8.250 nan 0.000 0.502 65 S N 1.458 117.245 115.700 0.146 0.000 2.596 65 S HA 0.107 4.578 4.470 0.001 0.000 0.262 65 S C 1.280 175.999 174.600 0.199 0.000 1.218 65 S CA -0.428 57.873 58.200 0.170 0.000 0.998 65 S CB 0.216 63.507 63.200 0.153 0.000 1.060 65 S HN 0.530 nan 8.310 nan 0.000 0.552 66 L N -0.719 120.642 121.223 0.230 0.000 2.265 66 L HA 0.183 4.524 4.340 0.001 0.000 0.195 66 L C 2.631 179.623 176.870 0.202 0.000 1.083 66 L CA 0.671 55.636 54.840 0.208 0.000 0.798 66 L CB -1.008 41.147 42.059 0.159 0.000 0.989 66 L HN 0.668 nan 8.230 nan 0.000 0.472 67 H N -0.388 118.743 119.070 0.102 0.000 2.466 67 H HA -0.159 4.398 4.556 0.001 0.000 0.297 67 H C 2.151 177.563 175.328 0.141 0.000 1.113 67 H CA 1.928 58.033 56.048 0.096 0.000 1.273 67 H CB -0.461 29.340 29.762 0.065 0.000 1.371 67 H HN 0.247 nan 8.280 nan 0.000 0.528 68 T N -0.303 114.399 114.554 0.247 0.000 2.852 68 T HA -0.002 4.348 4.350 0.001 0.000 0.256 68 T C 2.075 176.858 174.700 0.137 0.000 1.038 68 T CA 0.681 62.883 62.100 0.171 0.000 1.141 68 T CB -0.244 68.704 68.868 0.133 0.000 0.869 68 T HN 0.215 nan 8.240 nan 0.000 0.439 69 L N 0.181 121.488 121.223 0.140 0.000 2.291 69 L HA 0.155 4.495 4.340 0.001 0.000 0.214 69 L C 1.994 178.909 176.870 0.076 0.000 1.120 69 L CA 0.963 55.846 54.840 0.071 0.000 0.799 69 L CB -0.228 41.882 42.059 0.085 0.000 0.925 69 L HN 0.208 nan 8.230 nan 0.000 0.446 70 F N -0.222 119.735 119.950 0.011 0.000 2.187 70 F HA 0.028 4.556 4.527 0.001 0.000 0.295 70 F C 2.174 177.947 175.800 -0.044 0.000 1.091 70 F CA 1.385 59.396 58.000 0.018 0.000 1.308 70 F CB -0.428 38.571 39.000 -0.003 0.000 1.030 70 F HN 0.036 nan 8.300 nan 0.000 0.487 71 G N -0.245 108.654 108.800 0.164 0.000 2.418 71 G HA2 -0.266 3.694 3.960 0.001 0.000 0.217 71 G HA3 -0.266 3.694 3.960 0.001 0.000 0.217 71 G C 1.181 176.062 174.900 -0.032 0.000 1.158 71 G CA 1.133 46.267 45.100 0.056 0.000 0.771 71 G HN 0.304 nan 8.290 nan 0.000 0.545 72 D N 0.481 120.867 120.400 -0.023 0.000 2.108 72 D HA -0.118 4.523 4.640 0.001 0.000 0.190 72 D C 2.281 178.501 176.300 -0.134 0.000 0.995 72 D CA 1.429 55.390 54.000 -0.065 0.000 0.834 72 D CB -0.149 40.608 40.800 -0.072 0.000 0.967 72 D HN 0.256 nan 8.370 nan 0.000 0.446 73 K N 0.422 120.717 120.400 -0.176 0.000 2.442 73 K HA 0.002 4.322 4.320 0.001 0.000 0.198 73 K C 1.774 178.175 176.600 -0.331 0.000 1.044 73 K CA 0.548 56.715 56.287 -0.199 0.000 0.948 73 K CB -0.373 32.054 32.500 -0.121 0.000 0.762 73 K HN 0.207 nan 8.250 nan 0.000 0.472 74 L N -0.396 120.578 121.223 -0.414 0.000 2.162 74 L HA -0.064 4.277 4.340 0.001 0.000 0.205 74 L C 0.816 177.482 176.870 -0.341 0.000 1.086 74 L CA 0.683 55.189 54.840 -0.556 0.000 0.778 74 L CB -0.050 41.616 42.059 -0.656 0.000 0.928 74 L HN 0.173 nan 8.230 nan 0.000 0.446 75 c N 0.090 118.581 118.600 -0.182 0.000 2.399 75 c HA 0.029 4.599 4.570 0.001 0.000 0.348 75 c C 2.072 176.083 174.090 -0.132 0.000 1.318 75 c CA 0.208 56.477 56.329 -0.102 0.000 1.621 75 c CB -1.731 40.762 42.510 -0.028 0.000 1.683 75 c HN 0.462 nan 8.230 nan 0.000 0.595 76 T N 0.137 114.576 114.554 -0.193 0.000 3.037 76 T HA -0.041 4.310 4.350 0.001 0.000 0.252 76 T C 1.504 176.093 174.700 -0.185 0.000 1.073 76 T CA 0.558 62.555 62.100 -0.171 0.000 1.091 76 T CB 0.044 68.803 68.868 -0.181 0.000 0.935 76 T HN 0.523 nan 8.240 nan 0.000 0.488 77 V N 0.892 120.660 119.914 -0.243 0.000 3.458 77 V HA 0.441 4.561 4.120 0.001 0.000 0.318 77 V C 2.048 178.032 176.094 -0.183 0.000 1.182 77 V CA 0.109 62.257 62.300 -0.254 0.000 1.303 77 V CB -1.901 29.698 31.823 -0.373 0.000 1.073 77 V HN 0.338 nan 8.190 nan 0.000 0.418 78 A N 0.947 123.688 122.820 -0.131 0.000 2.042 78 A HA -0.142 4.178 4.320 0.001 0.000 0.222 78 A C 2.021 179.560 177.584 -0.075 0.000 1.167 78 A CA 2.514 54.498 52.037 -0.088 0.000 0.649 78 A CB -0.858 18.101 19.000 -0.068 0.000 0.809 78 A HN 0.689 nan 8.150 nan 0.000 0.457 79 T N 0.177 114.678 114.554 -0.088 0.000 4.316 79 T HA 0.116 4.467 4.350 0.001 0.000 0.203 79 T C 0.825 175.490 174.700 -0.057 0.000 0.852 79 T CA 0.187 62.248 62.100 -0.066 0.000 2.337 79 T CB -0.616 68.208 68.868 -0.074 0.000 1.461 79 T HN 0.281 nan 8.240 nan 0.000 0.301 80 L N 2.318 123.505 121.223 -0.061 0.000 2.700 80 L HA 0.063 4.403 4.340 0.001 0.000 0.276 80 L C 0.986 177.851 176.870 -0.008 0.000 1.200 80 L CA 0.750 55.586 54.840 -0.006 0.000 0.951 80 L CB -0.362 41.700 42.059 0.005 0.000 1.226 80 L HN 0.426 nan 8.230 nan 0.000 0.489 81 R N 2.591 123.170 120.500 0.131 0.000 2.418 81 R HA 0.007 4.347 4.340 0.001 0.000 0.218 81 R C 0.388 176.827 176.300 0.232 0.000 1.151 81 R CA -0.071 56.183 56.100 0.257 0.000 1.221 81 R CB 0.388 30.717 30.300 0.048 0.000 1.366 81 R HN 0.681 nan 8.270 nan 0.000 0.767 82 E N -0.343 119.976 120.200 0.197 0.000 2.201 82 E HA -0.020 4.331 4.350 0.001 0.000 0.193 82 E C 1.292 177.924 176.600 0.052 0.000 0.957 82 E CA 0.867 57.326 56.400 0.098 0.000 0.858 82 E CB 0.533 30.269 29.700 0.060 0.000 0.816 82 E HN 0.106 nan 8.360 nan 0.000 0.475 83 T N -0.720 113.833 114.554 -0.002 0.000 3.035 83 T HA -0.083 4.268 4.350 0.001 0.000 0.268 83 T C 0.540 175.080 174.700 -0.268 0.000 1.109 83 T CA 0.740 62.738 62.100 -0.170 0.000 1.119 83 T CB -0.130 68.564 68.868 -0.291 0.000 0.900 83 T HN 0.201 nan 8.240 nan 0.000 0.503 84 Y N 0.114 120.436 120.300 0.037 0.000 2.571 84 Y HA 0.446 4.997 4.550 0.001 0.000 0.275 84 Y C 2.140 178.065 175.900 0.043 0.000 1.179 84 Y CA -0.675 57.456 58.100 0.052 0.000 1.242 84 Y CB -0.531 37.958 38.460 0.047 0.000 1.126 84 Y HN 0.173 nan 8.280 nan 0.000 0.524 85 G N 0.687 109.566 108.800 0.132 0.000 2.475 85 G HA2 -0.230 3.730 3.960 0.001 0.000 0.220 85 G HA3 -0.230 3.730 3.960 0.001 0.000 0.220 85 G C 1.100 176.044 174.900 0.073 0.000 1.125 85 G CA 0.972 46.124 45.100 0.086 0.000 0.755 85 G HN 0.472 nan 8.290 nan 0.000 0.565 86 E N -0.836 119.409 120.200 0.076 0.000 2.887 86 E HA 0.336 4.687 4.350 0.001 0.000 0.206 86 E C -0.248 176.415 176.600 0.104 0.000 0.983 86 E CA -0.283 56.153 56.400 0.061 0.000 1.141 86 E CB 0.576 30.292 29.700 0.026 0.000 1.061 86 E HN 0.372 nan 8.360 nan 0.000 0.468 87 M N 0.415 120.126 119.600 0.185 0.000 2.393 87 M HA 0.530 5.011 4.480 0.001 0.000 0.299 87 M C -1.305 175.170 176.300 0.291 0.000 1.103 87 M CA -0.198 55.295 55.300 0.321 0.000 0.910 87 M CB 1.786 34.603 32.600 0.362 0.000 1.659 87 M HN 0.105 nan 8.290 nan 0.000 0.445 88 A N 3.460 126.421 122.820 0.234 0.000 2.740 88 A HA -0.107 4.214 4.320 0.001 0.000 0.291 88 A C -0.308 177.293 177.584 0.029 0.000 1.432 88 A CA 0.887 52.990 52.037 0.110 0.000 0.728 88 A CB -2.397 16.740 19.000 0.228 0.000 1.091 88 A HN 1.025 nan 8.150 nan 0.000 0.431 89 D N -1.263 119.120 120.400 -0.028 0.000 2.469 89 D HA 0.102 4.743 4.640 0.001 0.000 0.213 89 D C 1.337 177.580 176.300 -0.095 0.000 1.135 89 D CA 0.764 54.740 54.000 -0.040 0.000 0.834 89 D CB -1.497 39.290 40.800 -0.021 0.000 1.009 89 D HN 0.954 nan 8.370 nan 0.000 0.507 90 C N -0.830 118.354 119.300 -0.194 0.000 2.485 90 C HA 0.147 4.608 4.460 0.001 0.000 0.283 90 C C 2.355 177.206 174.990 -0.233 0.000 1.478 90 C CA -0.531 58.330 59.018 -0.262 0.000 1.741 90 C CB -1.976 25.500 27.740 -0.439 0.000 1.675 90 C HN 0.410 nan 8.230 nan 0.000 0.573 91 c N 1.316 119.826 118.600 -0.151 0.000 2.409 91 c HA -0.001 4.569 4.570 0.001 0.000 0.288 91 c C 3.203 177.278 174.090 -0.025 0.000 1.395 91 c CA 1.312 57.624 56.329 -0.029 0.000 1.792 91 c CB -1.677 40.848 42.510 0.024 0.000 1.847 91 c HN 0.809 nan 8.230 nan 0.000 0.534 92 A N 0.871 123.664 122.820 -0.046 0.000 1.855 92 A HA -0.091 4.230 4.320 0.001 0.000 0.215 92 A C 1.150 178.718 177.584 -0.027 0.000 1.191 92 A CA 0.935 52.954 52.037 -0.031 0.000 0.613 92 A CB -0.361 18.618 19.000 -0.035 0.000 0.829 92 A HN 0.710 nan 8.150 nan 0.000 0.442 93 K N 0.634 121.007 120.400 -0.045 0.000 2.485 93 K HA 0.162 4.483 4.320 0.001 0.000 0.277 93 K C 0.051 176.645 176.600 -0.009 0.000 0.990 93 K CA 0.143 56.410 56.287 -0.033 0.000 0.994 93 K CB 0.570 33.039 32.500 -0.052 0.000 0.906 93 K HN 0.526 nan 8.250 nan 0.000 0.488 94 Q N 0.785 120.589 119.800 0.006 0.000 2.547 94 Q HA 0.117 4.458 4.340 0.001 0.000 0.181 94 Q C -0.456 175.566 176.000 0.037 0.000 1.005 94 Q CA -0.661 55.157 55.803 0.025 0.000 1.005 94 Q CB 1.004 29.754 28.738 0.021 0.000 1.574 94 Q HN 0.405 nan 8.270 nan 0.000 0.499 95 E N 0.937 121.163 120.200 0.044 0.000 2.331 95 E HA 0.131 4.482 4.350 0.001 0.000 0.272 95 E C -1.820 174.795 176.600 0.025 0.000 1.036 95 E CA -1.480 54.948 56.400 0.047 0.000 0.864 95 E CB 0.844 30.576 29.700 0.054 0.000 1.035 95 E HN 0.425 nan 8.360 nan 0.000 0.408 96 P HA 0.066 nan 4.420 nan 0.000 0.245 96 P C 0.670 178.000 177.300 0.051 0.000 1.203 96 P CA 0.145 63.264 63.100 0.031 0.000 0.792 96 P CB 0.561 32.262 31.700 0.002 0.000 0.997 97 E N 0.970 121.190 120.200 0.033 0.000 2.164 97 E HA -0.283 4.067 4.350 0.001 0.000 0.206 97 E C 1.921 178.534 176.600 0.021 0.000 1.032 97 E CA 1.192 57.606 56.400 0.023 0.000 0.832 97 E CB -0.514 29.188 29.700 0.004 0.000 0.742 97 E HN 0.312 nan 8.360 nan 0.000 0.460 98 R N 1.334 121.851 120.500 0.030 0.000 2.096 98 R HA -0.117 4.224 4.340 0.001 0.000 0.235 98 R C 1.857 178.221 176.300 0.107 0.000 1.127 98 R CA 1.204 57.309 56.100 0.009 0.000 0.968 98 R CB -0.393 29.943 30.300 0.061 0.000 0.861 98 R HN 0.159 nan 8.270 nan 0.000 0.440 99 N N 0.613 119.431 118.700 0.198 0.000 2.142 99 N HA -0.145 4.596 4.740 0.001 0.000 0.186 99 N C 1.251 176.907 175.510 0.242 0.000 1.023 99 N CA 1.261 54.483 53.050 0.287 0.000 0.852 99 N CB 0.093 38.745 38.487 0.274 0.000 0.998 99 N HN 0.260 nan 8.380 nan 0.000 0.424 100 E N 0.546 120.844 120.200 0.162 0.000 2.051 100 E HA -0.130 4.221 4.350 0.001 0.000 0.192 100 E C 1.821 178.496 176.600 0.125 0.000 0.991 100 E CA 0.485 56.972 56.400 0.144 0.000 0.799 100 E CB -1.139 28.627 29.700 0.109 0.000 0.748 100 E HN 0.317 nan 8.360 nan 0.000 0.449 101 C N 0.645 119.971 119.300 0.042 0.000 2.514 101 C HA 0.011 4.472 4.460 0.001 0.000 0.289 101 C C 1.622 176.606 174.990 -0.009 0.000 1.458 101 C CA -0.041 58.975 59.018 -0.003 0.000 1.669 101 C CB -2.029 25.641 27.740 -0.116 0.000 1.613 101 C HN 0.161 nan 8.230 nan 0.000 0.594 102 F N -0.257 119.755 119.950 0.104 0.000 2.480 102 F HA 0.265 4.793 4.527 0.001 0.000 0.280 102 F C 1.922 177.738 175.800 0.027 0.000 1.002 102 F CA 0.724 58.724 58.000 0.000 0.000 1.325 102 F CB -0.698 38.213 39.000 -0.148 0.000 1.134 102 F HN 0.012 nan 8.300 nan 0.000 0.646 103 L N -0.230 121.181 121.223 0.312 0.000 2.079 103 L HA -0.233 4.107 4.340 0.001 0.000 0.210 103 L C 2.089 179.117 176.870 0.263 0.000 1.081 103 L CA 1.297 56.298 54.840 0.268 0.000 0.752 103 L CB -1.062 41.122 42.059 0.210 0.000 0.896 103 L HN 0.216 nan 8.230 nan 0.000 0.433 104 Q N -0.032 119.938 119.800 0.283 0.000 2.376 104 Q HA -0.186 4.155 4.340 0.001 0.000 0.211 104 Q C 0.729 176.950 176.000 0.368 0.000 0.986 104 Q CA 1.329 57.300 55.803 0.280 0.000 0.886 104 Q CB -0.068 28.799 28.738 0.215 0.000 0.927 104 Q HN 0.776 nan 8.270 nan 0.000 0.457 105 H N -2.311 116.846 119.070 0.145 0.000 3.234 105 H HA 0.178 4.735 4.556 0.001 0.000 0.253 105 H C -0.837 174.588 175.328 0.161 0.000 1.171 105 H CA -0.511 55.612 56.048 0.125 0.000 0.990 105 H CB -0.734 29.076 29.762 0.079 0.000 2.344 105 H HN 0.027 nan 8.280 nan 0.000 0.713 106 K N 1.452 121.894 120.400 0.071 0.000 2.383 106 K HA 0.149 4.470 4.320 0.001 0.000 0.286 106 K C -0.790 175.899 176.600 0.150 0.000 1.051 106 K CA -0.398 55.952 56.287 0.104 0.000 0.974 106 K CB 0.898 33.504 32.500 0.176 0.000 0.968 106 K HN -0.123 nan 8.250 nan 0.000 0.475 107 D N 2.448 122.902 120.400 0.089 0.000 2.730 107 D HA -0.135 4.506 4.640 0.001 0.000 0.225 107 D C 0.140 176.495 176.300 0.092 0.000 1.107 107 D CA 1.060 55.099 54.000 0.064 0.000 0.837 107 D CB 0.510 41.319 40.800 0.015 0.000 1.171 107 D HN 0.575 nan 8.370 nan 0.000 0.498 108 D N 1.443 121.871 120.400 0.047 0.000 2.369 108 D HA -0.018 4.623 4.640 0.001 0.000 0.211 108 D C -0.362 175.911 176.300 -0.046 0.000 1.077 108 D CA 0.222 54.222 54.000 0.000 0.000 0.842 108 D CB 0.229 40.972 40.800 -0.096 0.000 0.947 108 D HN 0.268 nan 8.370 nan 0.000 0.509 109 N N 1.074 119.748 118.700 -0.043 0.000 2.839 109 N HA 0.149 4.890 4.740 0.001 0.000 0.230 109 N C -2.895 172.577 175.510 -0.064 0.000 1.388 109 N CA -0.865 52.143 53.050 -0.070 0.000 0.747 109 N CB 1.222 39.668 38.487 -0.068 0.000 1.411 109 N HN -0.223 nan 8.380 nan 0.000 0.556 110 P HA 0.078 nan 4.420 nan 0.000 0.271 110 P C -0.296 176.965 177.300 -0.066 0.000 1.233 110 P CA 0.094 63.154 63.100 -0.066 0.000 0.795 110 P CB 0.707 32.356 31.700 -0.084 0.000 0.936 111 N N 0.614 119.282 118.700 -0.053 0.000 3.114 111 N HA 0.254 4.994 4.740 0.001 0.000 0.289 111 N C -1.109 174.376 175.510 -0.042 0.000 1.519 111 N CA -0.197 52.825 53.050 -0.045 0.000 1.026 111 N CB -0.310 38.156 38.487 -0.035 0.000 1.306 111 N HN 0.217 nan 8.380 nan 0.000 0.495 112 L N 1.520 122.709 121.223 -0.055 0.000 2.346 112 L HA 0.625 4.965 4.340 0.001 0.000 0.274 112 L C -1.875 174.966 176.870 -0.047 0.000 1.007 112 L CA -1.925 52.884 54.840 -0.052 0.000 0.818 112 L CB 1.355 43.367 42.059 -0.077 0.000 1.284 112 L HN 0.242 nan 8.230 nan 0.000 0.424 113 P HA 0.122 nan 4.420 nan 0.000 0.270 113 P C -1.052 176.233 177.300 -0.026 0.000 1.223 113 P CA -0.551 62.537 63.100 -0.021 0.000 0.785 113 P CB 0.334 32.030 31.700 -0.007 0.000 0.923 114 R N 1.366 121.858 120.500 -0.014 0.000 2.316 114 R HA 0.295 4.635 4.340 0.001 0.000 0.314 114 R C -0.571 175.732 176.300 0.005 0.000 1.069 114 R CA -0.761 55.334 56.100 -0.008 0.000 0.959 114 R CB -0.378 29.924 30.300 0.003 0.000 0.987 114 R HN 0.178 nan 8.270 nan 0.000 0.446 115 L N 3.799 125.024 121.223 0.004 0.000 2.737 115 L HA -0.098 4.243 4.340 0.001 0.000 0.279 115 L C 0.158 177.054 176.870 0.042 0.000 1.200 115 L CA 0.894 55.746 54.840 0.020 0.000 0.952 115 L CB 0.645 42.720 42.059 0.027 0.000 1.240 115 L HN 0.600 nan 8.230 nan 0.000 0.486 116 V N 6.762 126.702 119.914 0.043 0.000 2.320 116 V HA 0.288 4.409 4.120 0.001 0.000 0.265 116 V C 0.763 176.900 176.094 0.072 0.000 1.048 116 V CA -0.695 61.637 62.300 0.053 0.000 0.865 116 V CB 0.098 31.947 31.823 0.044 0.000 1.043 116 V HN 0.686 nan 8.190 nan 0.000 0.474 117 R N 6.430 126.983 120.500 0.089 0.000 2.585 117 R HA 0.205 4.545 4.340 0.001 0.000 0.275 117 R C -1.977 174.390 176.300 0.112 0.000 1.018 117 R CA -0.931 55.241 56.100 0.120 0.000 1.072 117 R CB 0.146 30.526 30.300 0.133 0.000 0.953 117 R HN 0.596 nan 8.270 nan 0.000 0.419 118 P HA -0.024 nan 4.420 nan 0.000 0.280 118 P C -0.443 176.920 177.300 0.106 0.000 1.278 118 P CA -0.240 62.934 63.100 0.123 0.000 0.787 118 P CB 0.415 32.212 31.700 0.162 0.000 1.163 119 E N -0.226 120.025 120.200 0.085 0.000 2.415 119 E HA -0.008 4.343 4.350 0.001 0.000 0.262 119 E C 1.307 177.949 176.600 0.070 0.000 1.038 119 E CA 0.055 56.493 56.400 0.063 0.000 0.921 119 E CB 0.496 30.225 29.700 0.049 0.000 0.950 119 E HN 0.236 nan 8.360 nan 0.000 0.438 120 V N -0.168 119.769 119.914 0.038 0.000 2.913 120 V HA -0.213 3.908 4.120 0.001 0.000 0.260 120 V C 0.938 177.043 176.094 0.019 0.000 1.098 120 V CA 1.519 63.826 62.300 0.012 0.000 1.121 120 V CB -0.435 31.359 31.823 -0.048 0.000 0.714 120 V HN 0.333 nan 8.190 nan 0.000 0.487 121 D N 2.018 122.435 120.400 0.029 0.000 2.117 121 D HA -0.121 4.520 4.640 0.001 0.000 0.198 121 D C 2.205 178.537 176.300 0.053 0.000 0.982 121 D CA 2.005 56.025 54.000 0.034 0.000 0.828 121 D CB -0.538 40.280 40.800 0.029 0.000 0.967 121 D HN 0.626 nan 8.370 nan 0.000 0.464 122 V N -2.036 117.917 119.914 0.065 0.000 2.992 122 V HA 0.058 4.179 4.120 0.001 0.000 0.250 122 V C 2.253 178.393 176.094 0.077 0.000 1.090 122 V CA 0.424 62.767 62.300 0.072 0.000 1.101 122 V CB -0.595 31.275 31.823 0.079 0.000 0.743 122 V HN 0.009 nan 8.190 nan 0.000 0.468 123 M N 0.115 119.793 119.600 0.129 0.000 2.108 123 M HA -0.185 4.296 4.480 0.001 0.000 0.261 123 M C 2.390 178.692 176.300 0.004 0.000 1.066 123 M CA 2.318 57.736 55.300 0.198 0.000 1.107 123 M CB -0.725 32.123 32.600 0.414 0.000 1.356 123 M HN 0.515 nan 8.290 nan 0.000 0.406 124 c N -0.107 118.548 118.600 0.093 0.000 2.453 124 c HA -0.106 4.465 4.570 0.001 0.000 0.277 124 c C 2.878 177.017 174.090 0.082 0.000 1.262 124 c CA 1.307 57.688 56.329 0.086 0.000 1.718 124 c CB -1.014 41.563 42.510 0.111 0.000 2.031 124 c HN 0.566 nan 8.230 nan 0.000 0.480 125 T N 1.456 116.073 114.554 0.105 0.000 2.597 125 T HA -0.246 4.105 4.350 0.001 0.000 0.267 125 T C 2.077 176.784 174.700 0.012 0.000 1.053 125 T CA 2.139 64.307 62.100 0.113 0.000 1.165 125 T CB -0.602 68.307 68.868 0.069 0.000 0.863 125 T HN 0.649 nan 8.240 nan 0.000 0.427 126 A N 0.908 123.669 122.820 -0.099 0.000 1.940 126 A HA -0.057 4.264 4.320 0.001 0.000 0.219 126 A C 2.003 179.333 177.584 -0.423 0.000 1.176 126 A CA 1.498 53.425 52.037 -0.185 0.000 0.631 126 A CB -1.039 17.897 19.000 -0.106 0.000 0.814 126 A HN 0.527 nan 8.150 nan 0.000 0.446 127 F N -0.042 119.351 119.950 -0.928 0.000 2.408 127 F HA -0.166 4.361 4.527 0.001 0.000 0.300 127 F C 2.113 177.568 175.800 -0.575 0.000 1.090 127 F CA 1.704 59.109 58.000 -0.992 0.000 1.427 127 F CB -0.037 38.372 39.000 -0.985 0.000 1.070 127 F HN 0.376 nan 8.300 nan 0.000 0.549 128 H N -1.078 117.838 119.070 -0.257 0.000 2.368 128 H HA 0.034 4.591 4.556 0.001 0.000 0.311 128 H C 1.780 177.007 175.328 -0.168 0.000 1.042 128 H CA 0.947 56.859 56.048 -0.227 0.000 1.377 128 H CB -0.739 28.973 29.762 -0.083 0.000 1.473 128 H HN 0.115 nan 8.280 nan 0.000 0.593 129 D N 1.222 121.641 120.400 0.031 0.000 2.160 129 D HA -0.168 4.472 4.640 0.001 0.000 0.189 129 D C 0.813 177.102 176.300 -0.018 0.000 1.003 129 D CA 1.431 55.436 54.000 0.007 0.000 0.846 129 D CB -0.130 40.680 40.800 0.017 0.000 0.949 129 D HN 0.156 nan 8.370 nan 0.000 0.446 130 N N 0.088 118.767 118.700 -0.035 0.000 2.716 130 N HA 0.005 4.746 4.740 0.001 0.000 0.253 130 N C 0.223 175.712 175.510 -0.035 0.000 1.170 130 N CA -0.056 52.987 53.050 -0.012 0.000 0.807 130 N CB 1.221 39.738 38.487 0.049 0.000 1.183 130 N HN 0.072 nan 8.380 nan 0.000 0.524 131 E N 1.004 121.119 120.200 -0.143 0.000 2.150 131 E HA -0.189 4.162 4.350 0.001 0.000 0.193 131 E C 0.832 177.422 176.600 -0.017 0.000 0.985 131 E CA 1.044 57.300 56.400 -0.241 0.000 0.814 131 E CB 0.450 29.872 29.700 -0.463 0.000 0.752 131 E HN 0.439 nan 8.360 nan 0.000 0.466 132 E N 0.106 120.314 120.200 0.014 0.000 2.028 132 E HA -0.117 4.233 4.350 0.001 0.000 0.191 132 E C 1.916 178.593 176.600 0.128 0.000 0.988 132 E CA 2.052 58.493 56.400 0.068 0.000 0.799 132 E CB -0.456 29.278 29.700 0.056 0.000 0.755 132 E HN 0.133 nan 8.360 nan 0.000 0.447 133 T N 0.290 114.931 114.554 0.145 0.000 2.668 133 T HA -0.115 4.236 4.350 0.001 0.000 0.262 133 T C 1.530 176.311 174.700 0.134 0.000 1.045 133 T CA 1.235 63.446 62.100 0.186 0.000 1.152 133 T CB -0.700 68.280 68.868 0.188 0.000 0.864 133 T HN 0.309 nan 8.240 nan 0.000 0.419 134 F N 1.084 121.037 119.950 0.006 0.000 2.225 134 F HA -0.108 4.420 4.527 0.001 0.000 0.302 134 F C 1.808 177.624 175.800 0.028 0.000 1.068 134 F CA 1.023 59.018 58.000 -0.008 0.000 1.327 134 F CB -0.220 38.771 39.000 -0.015 0.000 1.043 134 F HN 0.090 nan 8.300 nan 0.000 0.506 135 L N -0.340 120.957 121.223 0.124 0.000 2.221 135 L HA -0.032 4.309 4.340 0.001 0.000 0.202 135 L C 2.228 179.138 176.870 0.066 0.000 1.074 135 L CA 0.699 55.602 54.840 0.105 0.000 0.795 135 L CB -0.328 41.858 42.059 0.210 0.000 0.960 135 L HN -0.072 nan 8.230 nan 0.000 0.458 136 K N 0.277 120.739 120.400 0.105 0.000 2.432 136 K HA -0.128 4.193 4.320 0.001 0.000 0.196 136 K C 1.881 178.565 176.600 0.140 0.000 1.038 136 K CA 0.746 57.132 56.287 0.165 0.000 0.986 136 K CB 0.280 32.931 32.500 0.251 0.000 0.782 136 K HN 0.273 nan 8.250 nan 0.000 0.485 137 K N 0.031 120.352 120.400 -0.132 0.000 2.062 137 K HA -0.195 4.125 4.320 0.001 0.000 0.205 137 K C 1.958 178.477 176.600 -0.134 0.000 1.051 137 K CA 1.260 57.302 56.287 -0.407 0.000 0.941 137 K CB -0.902 31.224 32.500 -0.624 0.000 0.719 137 K HN 0.101 nan 8.250 nan 0.000 0.440 138 Y N 1.095 121.208 120.300 -0.312 0.000 2.181 138 Y HA -0.123 4.428 4.550 0.001 0.000 0.288 138 Y C 1.914 177.661 175.900 -0.254 0.000 1.146 138 Y CA 1.286 59.159 58.100 -0.378 0.000 1.164 138 Y CB -0.160 37.870 38.460 -0.717 0.000 0.982 138 Y HN 0.065 nan 8.280 nan 0.000 0.515 139 L N 0.071 121.194 121.223 -0.166 0.000 2.012 139 L HA -0.260 4.081 4.340 0.001 0.000 0.210 139 L C 2.452 179.242 176.870 -0.133 0.000 1.073 139 L CA 2.512 57.250 54.840 -0.170 0.000 0.748 139 L CB -1.496 40.576 42.059 0.022 0.000 0.891 139 L HN 0.546 nan 8.230 nan 0.000 0.431 140 Y N 1.021 121.256 120.300 -0.108 0.000 2.181 140 Y HA -0.218 4.332 4.550 0.001 0.000 0.288 140 Y C 2.417 178.247 175.900 -0.117 0.000 1.146 140 Y CA 1.722 59.785 58.100 -0.062 0.000 1.164 140 Y CB -0.145 38.410 38.460 0.158 0.000 0.982 140 Y HN 0.241 nan 8.280 nan 0.000 0.515 141 E N 0.460 120.384 120.200 -0.459 0.000 2.028 141 E HA -0.162 4.189 4.350 0.001 0.000 0.191 141 E C 2.289 178.656 176.600 -0.389 0.000 0.988 141 E CA 1.378 57.466 56.400 -0.520 0.000 0.799 141 E CB -0.296 29.202 29.700 -0.337 0.000 0.755 141 E HN 0.490 nan 8.360 nan 0.000 0.447 142 I N 1.033 121.344 120.570 -0.431 0.000 2.439 142 I HA -0.125 4.046 4.170 0.001 0.000 0.251 142 I C 2.322 178.368 176.117 -0.118 0.000 1.139 142 I CA 0.803 61.910 61.300 -0.322 0.000 1.438 142 I CB -1.288 36.326 38.000 -0.643 0.000 1.085 142 I HN -0.063 nan 8.210 nan 0.000 0.427 143 A N 1.635 124.351 122.820 -0.174 0.000 1.968 143 A HA -0.160 4.161 4.320 0.001 0.000 0.217 143 A C 2.441 179.978 177.584 -0.077 0.000 1.169 143 A CA 1.083 53.073 52.037 -0.079 0.000 0.638 143 A CB -0.433 18.508 19.000 -0.098 0.000 0.812 143 A HN 0.506 nan 8.150 nan 0.000 0.446 144 R N -0.632 119.764 120.500 -0.174 0.000 2.093 144 R HA 0.052 4.392 4.340 0.001 0.000 0.224 144 R C 1.744 177.957 176.300 -0.145 0.000 1.101 144 R CA 1.102 57.099 56.100 -0.170 0.000 0.979 144 R CB -0.373 29.749 30.300 -0.297 0.000 0.877 144 R HN 0.341 nan 8.270 nan 0.000 0.441 145 R N 0.177 120.573 120.500 -0.172 0.000 2.307 145 R HA 0.072 4.413 4.340 0.001 0.000 0.199 145 R C 0.013 176.015 176.300 -0.497 0.000 1.000 145 R CA 0.545 56.481 56.100 -0.274 0.000 1.023 145 R CB 0.121 30.263 30.300 -0.263 0.000 0.908 145 R HN 0.428 nan 8.270 nan 0.000 0.473 146 H N -1.045 117.967 119.070 -0.096 0.000 2.429 146 H HA 0.157 4.713 4.556 0.001 0.000 0.231 146 H C -2.184 173.169 175.328 0.042 0.000 1.416 146 H CA -1.816 54.206 56.048 -0.044 0.000 1.443 146 H CB 1.582 31.280 29.762 -0.105 0.000 1.591 146 H HN -0.069 nan 8.280 nan 0.000 0.507 147 P HA -0.206 nan 4.420 nan 0.000 0.213 147 P C 0.941 178.250 177.300 0.017 0.000 1.170 147 P CA 1.496 64.615 63.100 0.032 0.000 0.902 147 P CB 0.072 31.829 31.700 0.094 0.000 0.789 148 Y N -2.873 117.429 120.300 0.003 0.000 2.502 148 Y HA 0.125 4.675 4.550 0.001 0.000 0.295 148 Y C 1.024 176.979 175.900 0.091 0.000 1.193 148 Y CA -0.463 57.638 58.100 0.001 0.000 1.295 148 Y CB -1.097 37.360 38.460 -0.006 0.000 1.059 148 Y HN -0.110 nan 8.280 nan 0.000 0.514 149 F N 0.244 120.233 119.950 0.064 0.000 2.471 149 F HA 0.110 4.638 4.527 0.001 0.000 0.353 149 F C 0.266 176.093 175.800 0.044 0.000 1.113 149 F CA -1.560 56.468 58.000 0.046 0.000 1.262 149 F CB -0.069 38.936 39.000 0.008 0.000 1.146 149 F HN -0.083 nan 8.300 nan 0.000 0.578 150 Y N 4.112 124.216 120.300 -0.327 0.000 2.788 150 Y HA 0.180 4.731 4.550 0.001 0.000 0.341 150 Y C 1.059 176.624 175.900 -0.558 0.000 1.258 150 Y CA 0.325 58.187 58.100 -0.396 0.000 1.503 150 Y CB 0.670 38.951 38.460 -0.299 0.000 1.325 150 Y HN 0.696 nan 8.280 nan 0.000 0.614 151 A N 5.534 128.392 122.820 0.063 0.000 1.861 151 A HA 0.047 4.367 4.320 0.001 0.000 0.212 151 A C -0.591 176.900 177.584 -0.155 0.000 1.199 151 A CA 0.790 52.764 52.037 -0.104 0.000 0.613 151 A CB -1.559 17.405 19.000 -0.060 0.000 0.846 151 A HN 0.638 nan 8.150 nan 0.000 0.446 152 P HA -0.209 nan 4.420 nan 0.000 0.213 152 P C 1.155 178.344 177.300 -0.185 0.000 1.176 152 P CA 1.712 64.683 63.100 -0.214 0.000 0.919 152 P CB -0.185 31.293 31.700 -0.370 0.000 0.791 153 E N -0.950 119.078 120.200 -0.287 0.000 2.086 153 E HA -0.239 4.112 4.350 0.001 0.000 0.200 153 E C 1.957 178.641 176.600 0.140 0.000 1.012 153 E CA 1.033 57.354 56.400 -0.131 0.000 0.812 153 E CB -0.854 28.802 29.700 -0.074 0.000 0.743 153 E HN 0.046 nan 8.360 nan 0.000 0.453 154 L N 1.021 122.134 121.223 -0.184 0.000 2.021 154 L HA -0.235 4.106 4.340 0.001 0.000 0.215 154 L C 2.168 179.109 176.870 0.118 0.000 1.074 154 L CA 1.634 56.415 54.840 -0.098 0.000 0.760 154 L CB -0.531 41.383 42.059 -0.242 0.000 0.889 154 L HN 0.152 nan 8.230 nan 0.000 0.433 155 L N -2.349 118.915 121.223 0.067 0.000 2.046 155 L HA -0.253 4.088 4.340 0.001 0.000 0.208 155 L C 2.411 179.388 176.870 0.179 0.000 1.077 155 L CA 1.378 56.279 54.840 0.101 0.000 0.747 155 L CB -0.795 41.294 42.059 0.050 0.000 0.896 155 L HN 0.250 nan 8.230 nan 0.000 0.432 156 F N 0.791 120.749 119.950 0.012 0.000 2.043 156 F HA -0.283 4.244 4.527 0.001 0.000 0.297 156 F C 2.239 178.041 175.800 0.002 0.000 1.121 156 F CA 1.463 59.428 58.000 -0.059 0.000 1.199 156 F CB -0.655 38.166 39.000 -0.298 0.000 0.968 156 F HN -0.111 nan 8.300 nan 0.000 0.478 157 F N 0.558 120.475 119.950 -0.054 0.000 2.184 157 F HA -0.240 4.287 4.527 0.001 0.000 0.301 157 F C 2.567 178.390 175.800 0.039 0.000 1.076 157 F CA 1.376 59.357 58.000 -0.032 0.000 1.295 157 F CB -1.513 37.569 39.000 0.137 0.000 1.026 157 F HN 0.103 nan 8.300 nan 0.000 0.494 158 A N 0.571 123.551 122.820 0.267 0.000 1.898 158 A HA -0.213 4.107 4.320 0.001 0.000 0.216 158 A C 2.292 179.964 177.584 0.146 0.000 1.181 158 A CA 1.847 54.022 52.037 0.229 0.000 0.620 158 A CB -0.680 18.439 19.000 0.199 0.000 0.819 158 A HN 0.503 nan 8.150 nan 0.000 0.442 159 K N -0.372 120.056 120.400 0.048 0.000 2.103 159 K HA -0.075 4.245 4.320 0.001 0.000 0.204 159 K C 1.870 178.442 176.600 -0.046 0.000 1.052 159 K CA 1.161 57.457 56.287 0.016 0.000 0.945 159 K CB -0.292 32.209 32.500 0.002 0.000 0.722 159 K HN 0.366 nan 8.250 nan 0.000 0.443 160 R N -0.528 119.861 120.500 -0.185 0.000 2.189 160 R HA -0.116 4.224 4.340 0.001 0.000 0.223 160 R C 2.111 178.384 176.300 -0.045 0.000 1.092 160 R CA 1.277 57.256 56.100 -0.201 0.000 0.989 160 R CB -0.486 29.572 30.300 -0.404 0.000 0.876 160 R HN 0.277 nan 8.270 nan 0.000 0.457 161 Y N 2.140 122.371 120.300 -0.115 0.000 2.133 161 Y HA -0.221 4.330 4.550 0.001 0.000 0.287 161 Y C 2.432 178.339 175.900 0.012 0.000 1.134 161 Y CA 1.660 59.689 58.100 -0.118 0.000 1.133 161 Y CB -0.067 38.180 38.460 -0.356 0.000 0.987 161 Y HN -0.154 nan 8.280 nan 0.000 0.502 162 K N 0.192 120.645 120.400 0.087 0.000 2.097 162 K HA -0.120 4.201 4.320 0.001 0.000 0.205 162 K C 2.177 178.799 176.600 0.037 0.000 1.050 162 K CA 1.156 57.495 56.287 0.088 0.000 0.938 162 K CB -0.413 32.233 32.500 0.242 0.000 0.718 162 K HN 0.343 nan 8.250 nan 0.000 0.442 163 A N 1.263 124.091 122.820 0.013 0.000 1.892 163 A HA -0.161 4.159 4.320 0.001 0.000 0.218 163 A C 2.377 179.913 177.584 -0.080 0.000 1.188 163 A CA 2.045 54.071 52.037 -0.019 0.000 0.631 163 A CB -1.057 17.918 19.000 -0.041 0.000 0.822 163 A HN 0.509 nan 8.150 nan 0.000 0.447 164 A N -2.407 120.335 122.820 -0.129 0.000 2.121 164 A HA 0.156 4.477 4.320 0.001 0.000 0.218 164 A C 1.805 179.153 177.584 -0.393 0.000 1.154 164 A CA 1.206 53.105 52.037 -0.230 0.000 0.679 164 A CB -0.533 18.319 19.000 -0.247 0.000 0.795 164 A HN 0.498 nan 8.150 nan 0.000 0.458 165 F N -0.028 119.621 119.950 -0.502 0.000 2.298 165 F HA -0.038 4.489 4.527 0.001 0.000 0.282 165 F C 2.920 178.365 175.800 -0.592 0.000 1.045 165 F CA 1.738 59.255 58.000 -0.805 0.000 1.280 165 F CB -0.561 37.492 39.000 -1.580 0.000 1.114 165 F HN 0.287 nan 8.300 nan 0.000 0.546 166 T N -1.609 112.872 114.554 -0.122 0.000 2.737 166 T HA -0.293 4.058 4.350 0.001 0.000 0.269 166 T C 1.726 176.451 174.700 0.042 0.000 1.040 166 T CA 1.781 63.964 62.100 0.137 0.000 1.142 166 T CB -0.628 68.365 68.868 0.208 0.000 0.861 166 T HN 0.472 nan 8.240 nan 0.000 0.456 167 E N 0.011 120.187 120.200 -0.039 0.000 2.076 167 E HA -0.067 4.284 4.350 0.001 0.000 0.190 167 E C 1.447 177.997 176.600 -0.082 0.000 0.979 167 E CA 1.119 57.490 56.400 -0.048 0.000 0.807 167 E CB -0.175 29.488 29.700 -0.062 0.000 0.761 167 E HN 0.615 nan 8.360 nan 0.000 0.454 168 c N 0.260 118.762 118.600 -0.164 0.000 2.791 168 c HA 0.270 4.841 4.570 0.001 0.000 0.270 168 c C 1.760 175.747 174.090 -0.172 0.000 1.257 168 c CA -0.583 55.633 56.329 -0.189 0.000 1.699 168 c CB -0.858 41.483 42.510 -0.281 0.000 1.904 168 c HN 0.547 nan 8.230 nan 0.000 0.603 169 c N 2.706 121.231 118.600 -0.125 0.000 2.449 169 c HA 0.106 4.677 4.570 0.001 0.000 0.322 169 c C 0.708 174.829 174.090 0.052 0.000 1.309 169 c CA 0.418 56.731 56.329 -0.027 0.000 1.657 169 c CB -2.181 40.381 42.510 0.087 0.000 1.718 169 c HN 0.713 nan 8.230 nan 0.000 0.596 170 Q N -0.080 119.722 119.800 0.003 0.000 2.444 170 Q HA 0.643 4.984 4.340 0.001 0.000 0.239 170 Q C -1.291 174.699 176.000 -0.017 0.000 0.853 170 Q CA -0.170 55.637 55.803 0.006 0.000 0.856 170 Q CB 0.990 29.741 28.738 0.022 0.000 1.413 170 Q HN 0.180 nan 8.270 nan 0.000 0.437 171 A N 1.177 123.984 122.820 -0.022 0.000 2.590 171 A HA 0.733 5.054 4.320 0.001 0.000 0.296 171 A C 0.342 177.911 177.584 -0.025 0.000 1.050 171 A CA -0.146 51.875 52.037 -0.027 0.000 0.697 171 A CB 0.701 19.676 19.000 -0.041 0.000 1.277 171 A HN 0.942 nan 8.150 nan 0.000 0.411 172 A N 0.404 123.211 122.820 -0.022 0.000 1.940 172 A HA -0.001 4.320 4.320 0.001 0.000 0.221 172 A C 0.765 178.335 177.584 -0.022 0.000 1.190 172 A CA 2.694 54.719 52.037 -0.019 0.000 0.647 172 A CB -0.343 18.647 19.000 -0.017 0.000 0.821 172 A HN 0.988 nan 8.150 nan 0.000 0.457 173 D N -2.016 118.367 120.400 -0.029 0.000 2.421 173 D HA 0.336 4.977 4.640 0.001 0.000 0.254 173 D C 0.828 177.099 176.300 -0.049 0.000 1.238 173 D CA -0.353 53.626 54.000 -0.034 0.000 0.919 173 D CB 0.799 41.581 40.800 -0.031 0.000 1.152 173 D HN 0.358 nan 8.370 nan 0.000 0.552 174 K N 1.852 122.217 120.400 -0.058 0.000 2.361 174 K HA 0.179 4.500 4.320 0.001 0.000 0.196 174 K C 1.289 177.824 176.600 -0.108 0.000 1.039 174 K CA 0.101 56.334 56.287 -0.090 0.000 1.001 174 K CB 0.391 32.834 32.500 -0.095 0.000 0.795 174 K HN 0.187 nan 8.250 nan 0.000 0.495 175 A N 1.241 124.014 122.820 -0.079 0.000 2.258 175 A HA 0.262 4.583 4.320 0.001 0.000 0.206 175 A C 1.795 179.339 177.584 -0.067 0.000 1.222 175 A CA 0.876 52.869 52.037 -0.074 0.000 0.822 175 A CB -0.393 18.580 19.000 -0.046 0.000 0.804 175 A HN 0.443 nan 8.150 nan 0.000 0.483 176 A N -2.595 120.183 122.820 -0.070 0.000 2.312 176 A HA 0.190 4.511 4.320 0.001 0.000 0.215 176 A C 1.654 179.195 177.584 -0.072 0.000 1.256 176 A CA 0.788 52.789 52.037 -0.059 0.000 0.966 176 A CB -0.675 18.298 19.000 -0.044 0.000 1.053 176 A HN 0.674 nan 8.150 nan 0.000 0.510 177 c N -0.994 117.548 118.600 -0.096 0.000 2.634 177 c HA 0.341 4.911 4.570 0.001 0.000 0.268 177 c C 2.016 176.012 174.090 -0.158 0.000 1.322 177 c CA 0.916 57.178 56.329 -0.112 0.000 1.737 177 c CB -0.945 41.497 42.510 -0.113 0.000 1.976 177 c HN 0.516 nan 8.230 nan 0.000 0.547 178 L N 1.676 122.786 121.223 -0.189 0.000 2.121 178 L HA 0.234 4.575 4.340 0.001 0.000 0.200 178 L C 2.297 179.046 176.870 -0.202 0.000 1.132 178 L CA 1.903 56.575 54.840 -0.280 0.000 0.782 178 L CB -1.018 40.830 42.059 -0.353 0.000 0.940 178 L HN 0.305 nan 8.230 nan 0.000 0.458 179 L N -1.343 119.796 121.223 -0.139 0.000 2.265 179 L HA -0.002 4.339 4.340 0.001 0.000 0.215 179 L C -0.493 176.352 176.870 -0.041 0.000 1.117 179 L CA 1.208 56.004 54.840 -0.072 0.000 0.782 179 L CB -3.395 38.642 42.059 -0.037 0.000 0.914 179 L HN 0.271 nan 8.230 nan 0.000 0.441 180 P HA -0.105 nan 4.420 nan 0.000 0.221 180 P C 1.593 178.879 177.300 -0.023 0.000 1.150 180 P CA 1.506 64.590 63.100 -0.027 0.000 0.800 180 P CB 0.049 31.728 31.700 -0.034 0.000 0.787 181 K N -1.100 119.270 120.400 -0.051 0.000 2.314 181 K HA 0.131 4.452 4.320 0.001 0.000 0.198 181 K C 1.878 178.470 176.600 -0.013 0.000 1.045 181 K CA 0.599 56.859 56.287 -0.044 0.000 0.988 181 K CB -0.198 32.249 32.500 -0.089 0.000 0.783 181 K HN 0.193 nan 8.250 nan 0.000 0.484 182 L N 0.894 122.109 121.223 -0.015 0.000 2.102 182 L HA -0.085 4.255 4.340 0.001 0.000 0.202 182 L C 1.795 178.725 176.870 0.100 0.000 1.076 182 L CA 0.871 55.744 54.840 0.055 0.000 0.761 182 L CB -0.334 41.748 42.059 0.039 0.000 0.921 182 L HN 0.120 nan 8.230 nan 0.000 0.444 183 D N 0.302 120.742 120.400 0.067 0.000 2.149 183 D HA -0.248 4.392 4.640 0.001 0.000 0.198 183 D C 1.951 178.304 176.300 0.088 0.000 0.990 183 D CA 1.325 55.371 54.000 0.077 0.000 0.839 183 D CB 0.069 40.901 40.800 0.053 0.000 0.948 183 D HN 0.394 nan 8.370 nan 0.000 0.460 184 E N 0.576 120.820 120.200 0.074 0.000 2.058 184 E HA -0.177 4.173 4.350 0.001 0.000 0.194 184 E C 2.428 179.106 176.600 0.131 0.000 0.997 184 E CA 0.614 57.064 56.400 0.084 0.000 0.801 184 E CB -0.130 29.603 29.700 0.055 0.000 0.746 184 E HN 0.231 nan 8.360 nan 0.000 0.450 185 L N 0.300 121.614 121.223 0.152 0.000 1.994 185 L HA -0.211 4.130 4.340 0.001 0.000 0.208 185 L C 2.959 179.992 176.870 0.273 0.000 1.071 185 L CA 1.471 56.460 54.840 0.248 0.000 0.745 185 L CB -0.406 41.822 42.059 0.283 0.000 0.892 185 L HN 0.146 nan 8.230 nan 0.000 0.431 186 R N 0.370 120.993 120.500 0.205 0.000 2.132 186 R HA -0.250 4.091 4.340 0.001 0.000 0.233 186 R C 1.882 178.253 176.300 0.120 0.000 1.125 186 R CA 2.288 58.477 56.100 0.150 0.000 0.914 186 R CB -0.758 29.618 30.300 0.127 0.000 0.845 186 R HN 0.570 nan 8.270 nan 0.000 0.431 187 D N -0.400 120.076 120.400 0.126 0.000 2.350 187 D HA -0.160 4.481 4.640 0.001 0.000 0.216 187 D C 1.515 177.909 176.300 0.156 0.000 0.968 187 D CA 0.908 54.983 54.000 0.124 0.000 0.894 187 D CB -0.216 40.655 40.800 0.119 0.000 0.909 187 D HN 0.440 nan 8.370 nan 0.000 0.520 188 E N 0.551 120.873 120.200 0.203 0.000 2.008 188 E HA -0.054 4.297 4.350 0.001 0.000 0.191 188 E C 2.296 179.088 176.600 0.319 0.000 0.986 188 E CA 1.121 57.686 56.400 0.275 0.000 0.807 188 E CB -0.514 29.375 29.700 0.316 0.000 0.766 188 E HN 0.293 nan 8.360 nan 0.000 0.450 189 G N 1.128 110.155 108.800 0.378 0.000 2.422 189 G HA2 -0.315 3.645 3.960 0.001 0.000 0.218 189 G HA3 -0.315 3.645 3.960 0.001 0.000 0.218 189 G C 1.570 176.287 174.900 -0.305 0.000 1.146 189 G CA 0.968 46.042 45.100 -0.044 0.000 0.769 189 G HN 0.219 nan 8.290 nan 0.000 0.547 190 K N 0.453 120.748 120.400 -0.175 0.000 2.063 190 K HA -0.032 4.288 4.320 0.001 0.000 0.208 190 K C 2.789 179.348 176.600 -0.068 0.000 1.048 190 K CA 1.362 57.569 56.287 -0.134 0.000 0.928 190 K CB -0.285 32.214 32.500 -0.002 0.000 0.713 190 K HN 0.231 nan 8.250 nan 0.000 0.442 191 A N 0.105 122.949 122.820 0.041 0.000 1.898 191 A HA -0.138 4.182 4.320 0.001 0.000 0.216 191 A C 2.135 179.765 177.584 0.077 0.000 1.181 191 A CA 1.987 54.077 52.037 0.087 0.000 0.620 191 A CB -0.768 18.355 19.000 0.204 0.000 0.819 191 A HN 0.430 nan 8.150 nan 0.000 0.442 192 S N -0.688 115.081 115.700 0.114 0.000 2.368 192 S HA -0.141 4.329 4.470 0.001 0.000 0.224 192 S C 2.314 176.961 174.600 0.078 0.000 1.029 192 S CA 1.959 60.278 58.200 0.198 0.000 0.988 192 S CB -0.424 63.025 63.200 0.414 0.000 0.838 192 S HN 0.590 nan 8.310 nan 0.000 0.462 193 S N 0.248 115.787 115.700 -0.269 0.000 2.383 193 S HA 0.102 4.573 4.470 0.001 0.000 0.227 193 S C 1.973 176.503 174.600 -0.117 0.000 1.026 193 S CA 1.241 59.182 58.200 -0.431 0.000 0.981 193 S CB -0.610 62.051 63.200 -0.900 0.000 0.818 193 S HN 0.679 nan 8.310 nan 0.000 0.472 194 A N 1.265 124.031 122.820 -0.090 0.000 1.855 194 A HA 0.086 4.407 4.320 0.001 0.000 0.213 194 A C 2.104 179.670 177.584 -0.030 0.000 1.195 194 A CA 1.353 53.351 52.037 -0.065 0.000 0.610 194 A CB -0.679 18.261 19.000 -0.099 0.000 0.837 194 A HN 0.540 nan 8.150 nan 0.000 0.444 195 K N -0.614 119.789 120.400 0.006 0.000 2.211 195 K HA -0.251 4.070 4.320 0.001 0.000 0.204 195 K C 2.219 178.860 176.600 0.069 0.000 1.047 195 K CA 1.716 58.032 56.287 0.047 0.000 0.935 195 K CB -0.049 32.519 32.500 0.112 0.000 0.728 195 K HN 0.530 nan 8.250 nan 0.000 0.452 196 Q N 1.083 120.946 119.800 0.105 0.000 2.016 196 Q HA -0.203 4.138 4.340 0.001 0.000 0.200 196 Q C 1.957 177.999 176.000 0.070 0.000 0.978 196 Q CA 1.792 57.683 55.803 0.148 0.000 0.833 196 Q CB -0.273 28.612 28.738 0.245 0.000 0.895 196 Q HN 0.151 nan 8.270 nan 0.000 0.427 197 R N 0.302 120.820 120.500 0.031 0.000 2.097 197 R HA -0.173 4.167 4.340 0.001 0.000 0.236 197 R C 2.083 178.363 176.300 -0.033 0.000 1.135 197 R CA 1.957 58.047 56.100 -0.016 0.000 0.934 197 R CB -1.386 28.886 30.300 -0.045 0.000 0.846 197 R HN 0.451 nan 8.270 nan 0.000 0.431 198 L N 0.870 122.070 121.223 -0.038 0.000 2.051 198 L HA -0.195 4.146 4.340 0.001 0.000 0.214 198 L C 2.134 178.958 176.870 -0.077 0.000 1.076 198 L CA 2.331 57.141 54.840 -0.049 0.000 0.758 198 L CB -0.823 41.206 42.059 -0.049 0.000 0.890 198 L HN 0.287 nan 8.230 nan 0.000 0.433 199 K N -0.960 119.378 120.400 -0.103 0.000 2.020 199 K HA -0.189 4.132 4.320 0.001 0.000 0.212 199 K C 2.138 178.699 176.600 -0.065 0.000 1.050 199 K CA 2.302 58.490 56.287 -0.164 0.000 0.929 199 K CB -0.719 31.684 32.500 -0.162 0.000 0.714 199 K HN 0.592 nan 8.250 nan 0.000 0.443 200 c N -0.235 118.340 118.600 -0.042 0.000 2.446 200 c HA 0.003 4.573 4.570 0.001 0.000 0.277 200 c C 2.705 176.772 174.090 -0.037 0.000 1.275 200 c CA 0.512 56.812 56.329 -0.048 0.000 1.727 200 c CB -1.248 41.242 42.510 -0.032 0.000 2.010 200 c HN 0.615 nan 8.230 nan 0.000 0.486 201 A N 1.895 124.699 122.820 -0.028 0.000 1.884 201 A HA -0.253 4.067 4.320 0.001 0.000 0.219 201 A C 2.344 179.968 177.584 0.066 0.000 1.197 201 A CA 3.058 55.096 52.037 0.001 0.000 0.637 201 A CB -1.121 17.880 19.000 0.002 0.000 0.827 201 A HN 0.737 nan 8.150 nan 0.000 0.450 202 S N -0.423 115.321 115.700 0.073 0.000 2.383 202 S HA -0.079 4.392 4.470 0.001 0.000 0.227 202 S C 1.982 176.695 174.600 0.188 0.000 1.026 202 S CA 1.288 59.586 58.200 0.163 0.000 0.981 202 S CB -0.688 62.537 63.200 0.041 0.000 0.818 202 S HN 0.487 nan 8.310 nan 0.000 0.472 203 L N 0.771 122.046 121.223 0.087 0.000 2.046 203 L HA -0.150 4.191 4.340 0.001 0.000 0.208 203 L C 2.783 179.654 176.870 0.002 0.000 1.077 203 L CA 1.698 56.537 54.840 -0.002 0.000 0.747 203 L CB -0.326 41.572 42.059 -0.268 0.000 0.896 203 L HN 0.435 nan 8.230 nan 0.000 0.432 204 Q N -0.914 118.882 119.800 -0.008 0.000 2.163 204 Q HA -0.094 4.247 4.340 0.001 0.000 0.198 204 Q C 1.794 177.764 176.000 -0.050 0.000 0.954 204 Q CA 0.726 56.513 55.803 -0.027 0.000 0.851 204 Q CB 0.186 28.900 28.738 -0.041 0.000 0.928 204 Q HN 0.252 nan 8.270 nan 0.000 0.459 205 K N -0.213 120.156 120.400 -0.051 0.000 2.418 205 K HA 0.057 4.377 4.320 0.001 0.000 0.195 205 K C 0.011 176.280 176.600 -0.551 0.000 1.035 205 K CA 0.579 56.713 56.287 -0.254 0.000 1.003 205 K CB 0.484 32.859 32.500 -0.208 0.000 0.793 205 K HN 0.133 nan 8.250 nan 0.000 0.494 206 F N 0.175 120.135 119.950 0.017 0.000 2.556 206 F HA 0.269 4.796 4.527 0.001 0.000 0.384 206 F C 1.020 176.849 175.800 0.049 0.000 1.493 206 F CA -0.331 57.689 58.000 0.034 0.000 1.119 206 F CB 0.574 39.598 39.000 0.040 0.000 1.280 206 F HN 0.113 nan 8.300 nan 0.000 0.525 207 G N 2.129 111.006 108.800 0.128 0.000 2.578 207 G HA2 -0.343 3.618 3.960 0.001 0.000 0.284 207 G HA3 -0.343 3.618 3.960 0.001 0.000 0.284 207 G C 0.879 175.861 174.900 0.137 0.000 1.283 207 G CA 0.822 45.987 45.100 0.108 0.000 0.944 207 G HN 0.629 nan 8.290 nan 0.000 0.558 208 E N -1.281 119.004 120.200 0.142 0.000 2.571 208 E HA 0.236 4.587 4.350 0.001 0.000 0.222 208 E C 2.104 178.846 176.600 0.238 0.000 0.904 208 E CA 0.165 56.682 56.400 0.195 0.000 1.157 208 E CB 0.131 29.902 29.700 0.118 0.000 1.158 208 E HN 0.485 nan 8.360 nan 0.000 0.540 209 R N 1.058 121.668 120.500 0.183 0.000 2.081 209 R HA -0.046 4.294 4.340 0.001 0.000 0.235 209 R C 2.118 178.526 176.300 0.181 0.000 1.131 209 R CA 1.634 57.836 56.100 0.171 0.000 0.960 209 R CB -0.233 30.152 30.300 0.142 0.000 0.856 209 R HN 0.278 nan 8.270 nan 0.000 0.436 210 A N -0.268 122.666 122.820 0.190 0.000 2.015 210 A HA -0.149 4.172 4.320 0.001 0.000 0.219 210 A C 1.814 179.523 177.584 0.207 0.000 1.163 210 A CA 0.842 52.979 52.037 0.167 0.000 0.646 210 A CB -0.463 18.632 19.000 0.158 0.000 0.806 210 A HN 0.471 nan 8.150 nan 0.000 0.448 211 F N 0.409 120.424 119.950 0.108 0.000 2.147 211 F HA 0.033 4.560 4.527 0.001 0.000 0.291 211 F C 2.139 178.063 175.800 0.207 0.000 1.093 211 F CA 1.644 59.708 58.000 0.106 0.000 1.263 211 F CB -0.135 38.889 39.000 0.041 0.000 1.036 211 F HN 0.045 nan 8.300 nan 0.000 0.481 212 K N 0.420 121.021 120.400 0.335 0.000 2.044 212 K HA -0.228 4.093 4.320 0.001 0.000 0.210 212 K C 2.169 178.848 176.600 0.131 0.000 1.049 212 K CA 1.569 57.997 56.287 0.234 0.000 0.927 212 K CB -0.720 31.919 32.500 0.232 0.000 0.713 212 K HN 0.354 nan 8.250 nan 0.000 0.443 213 A N 0.309 123.205 122.820 0.126 0.000 2.125 213 A HA -0.185 4.136 4.320 0.001 0.000 0.219 213 A C 1.821 179.421 177.584 0.026 0.000 1.156 213 A CA 1.172 53.249 52.037 0.067 0.000 0.671 213 A CB -0.705 18.331 19.000 0.061 0.000 0.794 213 A HN 0.650 nan 8.150 nan 0.000 0.459 214 W N 0.140 121.330 121.300 -0.183 0.000 2.441 214 W HA 0.079 4.740 4.660 0.001 0.000 0.302 214 W C 2.343 178.706 176.519 -0.260 0.000 1.191 214 W CA 1.655 58.849 57.345 -0.252 0.000 1.327 214 W CB -0.134 29.106 29.460 -0.367 0.000 1.128 214 W HN 0.275 nan 8.180 nan 0.000 0.522 215 A N 0.162 122.990 122.820 0.012 0.000 1.873 215 A HA -0.152 4.169 4.320 0.001 0.000 0.215 215 A C 1.998 179.486 177.584 -0.160 0.000 1.186 215 A CA 2.006 53.968 52.037 -0.125 0.000 0.616 215 A CB -1.362 17.714 19.000 0.126 0.000 0.823 215 A HN 0.185 nan 8.150 nan 0.000 0.442 216 V N -0.040 119.854 119.914 -0.033 0.000 2.311 216 V HA -0.399 3.722 4.120 0.001 0.000 0.256 216 V C 2.983 179.040 176.094 -0.062 0.000 1.077 216 V CA 2.444 64.755 62.300 0.019 0.000 1.067 216 V CB -1.192 30.675 31.823 0.072 0.000 0.659 216 V HN 0.671 nan 8.190 nan 0.000 0.451 217 A N -0.765 121.936 122.820 -0.199 0.000 1.832 217 A HA -0.205 4.116 4.320 0.001 0.000 0.214 217 A C 2.359 179.759 177.584 -0.308 0.000 1.200 217 A CA 1.819 53.703 52.037 -0.256 0.000 0.610 217 A CB -0.580 18.223 19.000 -0.329 0.000 0.842 217 A HN 0.446 nan 8.150 nan 0.000 0.444 218 R N -0.561 119.632 120.500 -0.513 0.000 2.280 218 R HA 0.115 4.456 4.340 0.001 0.000 0.207 218 R C 1.676 177.741 176.300 -0.391 0.000 1.043 218 R CA 0.352 56.154 56.100 -0.497 0.000 1.006 218 R CB -0.251 29.603 30.300 -0.742 0.000 0.885 218 R HN 0.560 nan 8.270 nan 0.000 0.467 219 L N -0.812 120.230 121.223 -0.301 0.000 2.102 219 L HA -0.060 4.281 4.340 0.001 0.000 0.202 219 L C 2.090 178.866 176.870 -0.156 0.000 1.076 219 L CA 0.942 55.639 54.840 -0.238 0.000 0.761 219 L CB -0.249 41.801 42.059 -0.015 0.000 0.921 219 L HN 0.147 nan 8.230 nan 0.000 0.444 220 S N -0.383 115.308 115.700 -0.016 0.000 2.419 220 S HA -0.231 4.240 4.470 0.001 0.000 0.235 220 S C 1.834 176.415 174.600 -0.032 0.000 1.019 220 S CA 1.246 59.505 58.200 0.099 0.000 0.982 220 S CB -0.178 63.106 63.200 0.139 0.000 0.789 220 S HN 0.456 nan 8.310 nan 0.000 0.490 221 Q N 0.374 120.091 119.800 -0.137 0.000 2.033 221 Q HA 0.041 4.382 4.340 0.001 0.000 0.196 221 Q C 2.448 178.331 176.000 -0.194 0.000 0.970 221 Q CA 0.818 56.530 55.803 -0.152 0.000 0.828 221 Q CB -0.158 28.480 28.738 -0.167 0.000 0.895 221 Q HN 0.272 nan 8.270 nan 0.000 0.440 222 R N 0.103 120.381 120.500 -0.370 0.000 2.083 222 R HA -0.105 4.235 4.340 0.001 0.000 0.237 222 R C -0.127 175.925 176.300 -0.413 0.000 1.137 222 R CA 1.257 57.008 56.100 -0.582 0.000 0.951 222 R CB 0.143 29.736 30.300 -1.179 0.000 0.851 222 R HN 0.063 nan 8.270 nan 0.000 0.434 223 F N -0.044 119.920 119.950 0.023 0.000 2.564 223 F HA 0.373 4.901 4.527 0.001 0.000 0.368 223 F C -1.885 173.963 175.800 0.080 0.000 1.127 223 F CA -3.029 54.995 58.000 0.041 0.000 1.170 223 F CB 1.851 40.879 39.000 0.046 0.000 1.397 223 F HN -0.003 nan 8.300 nan 0.000 0.493 224 P HA 0.035 nan 4.420 nan 0.000 0.257 224 P C 1.051 178.435 177.300 0.139 0.000 1.241 224 P CA 0.551 63.729 63.100 0.130 0.000 0.816 224 P CB 0.568 32.281 31.700 0.022 0.000 1.150 225 K N -0.094 120.391 120.400 0.142 0.000 2.365 225 K HA 0.176 4.497 4.320 0.001 0.000 0.197 225 K C 1.044 177.722 176.600 0.130 0.000 1.042 225 K CA 0.005 56.356 56.287 0.108 0.000 0.987 225 K CB 0.031 32.574 32.500 0.072 0.000 0.779 225 K HN 0.078 nan 8.250 nan 0.000 0.484 226 A N 2.099 125.025 122.820 0.177 0.000 2.407 226 A HA 0.076 4.397 4.320 0.001 0.000 0.248 226 A C 0.284 177.989 177.584 0.201 0.000 1.082 226 A CA -0.368 51.759 52.037 0.150 0.000 0.785 226 A CB 0.350 19.438 19.000 0.146 0.000 1.020 226 A HN 0.086 nan 8.150 nan 0.000 0.489 227 E N 0.415 120.690 120.200 0.125 0.000 2.718 227 E HA 0.024 4.374 4.350 0.001 0.000 0.263 227 E C 0.688 177.291 176.600 0.006 0.000 1.434 227 E CA 0.098 56.579 56.400 0.136 0.000 1.106 227 E CB 0.105 29.854 29.700 0.082 0.000 1.029 227 E HN 0.708 nan 8.360 nan 0.000 0.631 228 F N 0.480 120.286 119.950 -0.240 0.000 2.147 228 F HA 0.031 4.559 4.527 0.001 0.000 0.291 228 F C 2.168 177.811 175.800 -0.262 0.000 1.093 228 F CA 1.205 58.861 58.000 -0.573 0.000 1.263 228 F CB -0.091 38.680 39.000 -0.382 0.000 1.036 228 F HN 0.459 nan 8.300 nan 0.000 0.481 229 A N 0.242 122.823 122.820 -0.398 0.000 1.997 229 A HA -0.311 4.009 4.320 0.001 0.000 0.221 229 A C 1.894 179.319 177.584 -0.264 0.000 1.172 229 A CA 2.198 53.988 52.037 -0.411 0.000 0.645 229 A CB -0.966 17.932 19.000 -0.169 0.000 0.813 229 A HN 0.588 nan 8.150 nan 0.000 0.454 230 E N -0.329 119.785 120.200 -0.144 0.000 2.028 230 E HA -0.100 4.251 4.350 0.001 0.000 0.191 230 E C 1.891 178.471 176.600 -0.033 0.000 0.988 230 E CA 1.542 57.923 56.400 -0.033 0.000 0.799 230 E CB -0.354 29.350 29.700 0.006 0.000 0.755 230 E HN 0.245 nan 8.360 nan 0.000 0.447 231 V N 0.147 120.011 119.914 -0.083 0.000 2.261 231 V HA -0.260 3.861 4.120 0.001 0.000 0.246 231 V C 2.446 178.507 176.094 -0.054 0.000 1.047 231 V CA 1.925 64.219 62.300 -0.009 0.000 1.015 231 V CB -0.937 30.876 31.823 -0.015 0.000 0.642 231 V HN 0.355 nan 8.190 nan 0.000 0.446 232 S N -0.726 114.812 115.700 -0.270 0.000 2.372 232 S HA -0.325 4.146 4.470 0.001 0.000 0.227 232 S C 2.230 176.754 174.600 -0.127 0.000 1.044 232 S CA 2.171 60.205 58.200 -0.278 0.000 1.050 232 S CB -0.338 62.391 63.200 -0.785 0.000 0.901 232 S HN 0.454 nan 8.310 nan 0.000 0.447 233 K N 0.974 121.291 120.400 -0.139 0.000 1.985 233 K HA -0.016 4.305 4.320 0.001 0.000 0.210 233 K C 2.208 178.804 176.600 -0.007 0.000 1.047 233 K CA 1.628 57.870 56.287 -0.075 0.000 0.932 233 K CB -0.952 31.497 32.500 -0.085 0.000 0.716 233 K HN 0.487 nan 8.250 nan 0.000 0.439 234 L N 0.846 122.100 121.223 0.051 0.000 2.137 234 L HA -0.232 4.109 4.340 0.001 0.000 0.213 234 L C 2.499 179.455 176.870 0.144 0.000 1.085 234 L CA 0.927 55.840 54.840 0.122 0.000 0.760 234 L CB -0.520 41.653 42.059 0.190 0.000 0.893 234 L HN -0.027 nan 8.230 nan 0.000 0.434 235 V N -0.039 119.953 119.914 0.130 0.000 2.261 235 V HA -0.300 3.820 4.120 0.001 0.000 0.246 235 V C 2.759 178.965 176.094 0.188 0.000 1.047 235 V CA 2.453 64.857 62.300 0.174 0.000 1.015 235 V CB -0.896 31.017 31.823 0.151 0.000 0.642 235 V HN 0.708 nan 8.190 nan 0.000 0.446 236 T N -2.271 112.356 114.554 0.121 0.000 2.833 236 T HA -0.239 4.112 4.350 0.001 0.000 0.269 236 T C 1.518 176.278 174.700 0.099 0.000 1.054 236 T CA 1.828 63.992 62.100 0.106 0.000 1.135 236 T CB -0.510 68.389 68.868 0.053 0.000 0.869 236 T HN 0.405 nan 8.240 nan 0.000 0.466 237 D N 0.916 121.364 120.400 0.080 0.000 2.097 237 D HA 0.016 4.657 4.640 0.001 0.000 0.195 237 D C 1.875 178.257 176.300 0.137 0.000 0.989 237 D CA 0.616 54.660 54.000 0.073 0.000 0.827 237 D CB -0.463 40.361 40.800 0.040 0.000 0.966 237 D HN 0.242 nan 8.370 nan 0.000 0.456 238 L N 0.162 121.513 121.223 0.214 0.000 2.156 238 L HA -0.047 4.294 4.340 0.001 0.000 0.208 238 L C 2.135 179.245 176.870 0.400 0.000 1.095 238 L CA 1.517 56.552 54.840 0.326 0.000 0.770 238 L CB -0.652 41.653 42.059 0.411 0.000 0.914 238 L HN -0.019 nan 8.230 nan 0.000 0.439 239 T N -0.803 113.963 114.554 0.353 0.000 2.821 239 T HA -0.181 4.170 4.350 0.001 0.000 0.267 239 T C 1.910 176.673 174.700 0.104 0.000 1.046 239 T CA 1.288 63.562 62.100 0.291 0.000 1.139 239 T CB -0.044 68.998 68.868 0.291 0.000 0.871 239 T HN 0.293 nan 8.240 nan 0.000 0.454 240 K N 0.921 121.379 120.400 0.095 0.000 2.002 240 K HA -0.094 4.227 4.320 0.001 0.000 0.209 240 K C 2.191 178.807 176.600 0.027 0.000 1.048 240 K CA 1.264 57.575 56.287 0.041 0.000 0.930 240 K CB -0.405 32.116 32.500 0.035 0.000 0.714 240 K HN 0.158 nan 8.250 nan 0.000 0.438 241 V N 1.524 121.467 119.914 0.049 0.000 2.231 241 V HA -0.282 3.839 4.120 0.001 0.000 0.248 241 V C 2.472 178.531 176.094 -0.059 0.000 1.054 241 V CA 2.040 64.338 62.300 -0.004 0.000 1.015 241 V CB -0.808 31.008 31.823 -0.012 0.000 0.638 241 V HN 0.454 nan 8.190 nan 0.000 0.444 242 H N 0.576 119.662 119.070 0.027 0.000 2.423 242 H HA -0.105 4.451 4.556 0.001 0.000 0.297 242 H C 2.518 177.748 175.328 -0.164 0.000 1.075 242 H CA 2.079 58.096 56.048 -0.053 0.000 1.342 242 H CB -0.426 29.327 29.762 -0.014 0.000 1.395 242 H HN 0.666 nan 8.280 nan 0.000 0.530 243 T N -1.263 113.242 114.554 -0.082 0.000 2.881 243 T HA -0.090 4.261 4.350 0.001 0.000 0.270 243 T C 1.736 176.426 174.700 -0.015 0.000 1.068 243 T CA 1.049 63.092 62.100 -0.095 0.000 1.131 243 T CB 0.092 68.904 68.868 -0.094 0.000 0.871 243 T HN 0.427 nan 8.240 nan 0.000 0.479 244 E N 0.225 120.414 120.200 -0.019 0.000 2.024 244 E HA 0.023 4.374 4.350 0.001 0.000 0.190 244 E C 2.544 179.148 176.600 0.007 0.000 0.974 244 E CA 0.888 57.286 56.400 -0.003 0.000 0.810 244 E CB -0.406 29.281 29.700 -0.021 0.000 0.775 244 E HN 0.417 nan 8.360 nan 0.000 0.453 245 c N 1.057 119.612 118.600 -0.075 0.000 2.396 245 c HA -0.220 4.350 4.570 0.001 0.000 0.277 245 c C 2.946 177.012 174.090 -0.039 0.000 1.231 245 c CA 0.496 56.733 56.329 -0.154 0.000 1.775 245 c CB -0.935 41.336 42.510 -0.399 0.000 2.036 245 c HN 0.613 nan 8.230 nan 0.000 0.484 246 c N -1.519 117.091 118.600 0.016 0.000 2.473 246 c HA -0.134 4.436 4.570 0.001 0.000 0.279 246 c C 2.772 176.940 174.090 0.131 0.000 1.250 246 c CA 1.177 57.547 56.329 0.069 0.000 1.713 246 c CB -1.686 40.835 42.510 0.018 0.000 2.066 246 c HN 0.699 nan 8.230 nan 0.000 0.474 247 H N 0.408 119.497 119.070 0.032 0.000 2.426 247 H HA -0.085 4.472 4.556 0.001 0.000 0.298 247 H C 1.897 177.281 175.328 0.093 0.000 1.107 247 H CA 2.113 58.194 56.048 0.054 0.000 1.298 247 H CB -0.229 29.548 29.762 0.024 0.000 1.377 247 H HN 0.621 nan 8.280 nan 0.000 0.519 248 G N 0.060 108.982 108.800 0.202 0.000 2.421 248 G HA2 -0.205 3.755 3.960 0.001 0.000 0.188 248 G HA3 -0.205 3.755 3.960 0.001 0.000 0.188 248 G C -0.179 174.772 174.900 0.086 0.000 1.001 248 G CA 0.144 45.307 45.100 0.104 0.000 0.693 248 G HN 0.407 nan 8.290 nan 0.000 0.479 249 D N 1.617 122.108 120.400 0.152 0.000 2.540 249 D HA 0.370 5.010 4.640 0.001 0.000 0.237 249 D C 1.748 178.068 176.300 0.034 0.000 1.181 249 D CA 0.131 54.206 54.000 0.126 0.000 1.119 249 D CB 0.130 40.988 40.800 0.097 0.000 1.119 249 D HN 0.373 nan 8.370 nan 0.000 0.498 250 L N 0.605 121.807 121.223 -0.035 0.000 2.558 250 L HA 0.042 4.383 4.340 0.001 0.000 0.225 250 L C 1.769 178.604 176.870 -0.058 0.000 1.128 250 L CA 0.266 55.053 54.840 -0.089 0.000 0.868 250 L CB 0.016 41.977 42.059 -0.163 0.000 1.006 250 L HN 0.396 nan 8.230 nan 0.000 0.454 251 L N -0.219 120.976 121.223 -0.047 0.000 2.209 251 L HA -0.047 4.294 4.340 0.001 0.000 0.207 251 L C 2.564 179.460 176.870 0.044 0.000 1.094 251 L CA 0.734 55.552 54.840 -0.035 0.000 0.790 251 L CB -0.263 41.736 42.059 -0.101 0.000 0.932 251 L HN 0.383 nan 8.230 nan 0.000 0.447 252 E N -0.646 119.599 120.200 0.075 0.000 2.244 252 E HA -0.130 4.220 4.350 0.001 0.000 0.196 252 E C 2.239 178.869 176.600 0.051 0.000 0.939 252 E CA 0.792 57.235 56.400 0.071 0.000 0.884 252 E CB -0.762 28.983 29.700 0.075 0.000 0.850 252 E HN 0.337 nan 8.360 nan 0.000 0.481 253 c N 1.952 120.574 118.600 0.036 0.000 2.403 253 c HA 0.012 4.582 4.570 0.001 0.000 0.277 253 c C 2.984 177.127 174.090 0.089 0.000 1.248 253 c CA 1.687 58.032 56.329 0.026 0.000 1.762 253 c CB -1.156 41.331 42.510 -0.039 0.000 2.014 253 c HN 0.565 nan 8.230 nan 0.000 0.486 254 A N 0.036 122.923 122.820 0.112 0.000 1.930 254 A HA -0.120 4.201 4.320 0.001 0.000 0.217 254 A C 1.964 179.594 177.584 0.076 0.000 1.175 254 A CA 2.033 54.161 52.037 0.152 0.000 0.627 254 A CB -0.667 18.403 19.000 0.116 0.000 0.815 254 A HN 0.663 nan 8.150 nan 0.000 0.443 255 D N 0.543 120.978 120.400 0.059 0.000 2.084 255 D HA -0.141 4.499 4.640 0.001 0.000 0.194 255 D C 1.340 177.670 176.300 0.051 0.000 0.990 255 D CA 1.534 55.564 54.000 0.049 0.000 0.826 255 D CB -0.446 40.389 40.800 0.058 0.000 0.971 255 D HN 0.423 nan 8.370 nan 0.000 0.453 256 D N 0.441 120.873 120.400 0.054 0.000 2.149 256 D HA -0.161 4.479 4.640 0.001 0.000 0.198 256 D C 2.046 178.380 176.300 0.057 0.000 0.990 256 D CA 0.485 54.515 54.000 0.050 0.000 0.839 256 D CB -0.188 40.638 40.800 0.042 0.000 0.948 256 D HN 0.215 nan 8.370 nan 0.000 0.460 257 R N 0.763 121.303 120.500 0.067 0.000 2.127 257 R HA -0.098 4.242 4.340 0.001 0.000 0.238 257 R C 1.999 178.324 176.300 0.041 0.000 1.134 257 R CA 1.346 57.485 56.100 0.065 0.000 0.975 257 R CB -0.021 30.328 30.300 0.081 0.000 0.865 257 R HN 0.106 nan 8.270 nan 0.000 0.447 258 A N 0.391 123.230 122.820 0.032 0.000 2.021 258 A HA -0.060 4.261 4.320 0.001 0.000 0.216 258 A C 1.415 179.022 177.584 0.038 0.000 1.163 258 A CA 1.068 53.119 52.037 0.023 0.000 0.676 258 A CB -0.041 18.967 19.000 0.013 0.000 0.818 258 A HN 0.290 nan 8.150 nan 0.000 0.453 259 D N -0.115 120.313 120.400 0.048 0.000 2.103 259 D HA -0.116 4.525 4.640 0.001 0.000 0.199 259 D C 1.888 178.231 176.300 0.072 0.000 0.978 259 D CA 1.241 55.274 54.000 0.055 0.000 0.829 259 D CB -0.392 40.436 40.800 0.047 0.000 0.981 259 D HN 0.367 nan 8.370 nan 0.000 0.464 260 L N 1.268 122.537 121.223 0.075 0.000 2.046 260 L HA -0.090 4.251 4.340 0.001 0.000 0.208 260 L C 2.160 179.101 176.870 0.119 0.000 1.077 260 L CA 1.877 56.781 54.840 0.107 0.000 0.747 260 L CB -0.783 41.341 42.059 0.107 0.000 0.896 260 L HN -0.032 nan 8.230 nan 0.000 0.432 261 A N -0.308 122.558 122.820 0.075 0.000 1.948 261 A HA -0.288 4.032 4.320 0.001 0.000 0.220 261 A C 2.270 179.876 177.584 0.036 0.000 1.177 261 A CA 2.249 54.313 52.037 0.045 0.000 0.636 261 A CB -0.597 18.416 19.000 0.021 0.000 0.815 261 A HN 0.601 nan 8.150 nan 0.000 0.449 262 K N -1.816 118.617 120.400 0.055 0.000 2.032 262 K HA -0.197 4.124 4.320 0.001 0.000 0.209 262 K C 2.031 178.666 176.600 0.059 0.000 1.048 262 K CA 1.829 58.146 56.287 0.050 0.000 0.927 262 K CB -0.437 32.102 32.500 0.065 0.000 0.712 262 K HN 0.620 nan 8.250 nan 0.000 0.441 263 Y N 1.595 121.886 120.300 -0.015 0.000 2.293 263 Y HA -0.080 4.470 4.550 0.001 0.000 0.291 263 Y C 1.761 177.632 175.900 -0.048 0.000 1.137 263 Y CA 1.063 59.148 58.100 -0.024 0.000 1.202 263 Y CB 0.036 38.488 38.460 -0.013 0.000 0.990 263 Y HN -0.040 nan 8.280 nan 0.000 0.537 264 I N -1.480 119.041 120.570 -0.081 0.000 2.406 264 I HA -0.268 3.903 4.170 0.001 0.000 0.249 264 I C 1.988 177.965 176.117 -0.233 0.000 1.122 264 I CA 0.810 61.984 61.300 -0.209 0.000 1.431 264 I CB -0.482 37.447 38.000 -0.118 0.000 1.087 264 I HN 0.259 nan 8.210 nan 0.000 0.424 265 c N 0.437 118.950 118.600 -0.144 0.000 2.514 265 c HA -0.002 4.568 4.570 0.001 0.000 0.271 265 c C 2.505 176.516 174.090 -0.131 0.000 1.399 265 c CA 0.037 56.293 56.329 -0.122 0.000 1.765 265 c CB -0.837 41.631 42.510 -0.069 0.000 1.893 265 c HN 0.457 nan 8.230 nan 0.000 0.531 266 E N 2.063 122.168 120.200 -0.159 0.000 2.012 266 E HA -0.155 4.196 4.350 0.001 0.000 0.197 266 E C 0.188 176.675 176.600 -0.188 0.000 1.007 266 E CA 1.234 57.541 56.400 -0.154 0.000 0.816 266 E CB -0.156 29.446 29.700 -0.162 0.000 0.762 266 E HN 0.759 nan 8.360 nan 0.000 0.451 267 N N 0.607 119.127 118.700 -0.300 0.000 2.976 267 N HA 0.079 4.820 4.740 0.001 0.000 0.255 267 N C -0.099 175.262 175.510 -0.248 0.000 1.312 267 N CA -0.092 52.806 53.050 -0.253 0.000 0.897 267 N CB 0.852 39.178 38.487 -0.268 0.000 1.184 267 N HN 0.077 nan 8.380 nan 0.000 0.497 268 Q N -0.022 119.663 119.800 -0.191 0.000 2.172 268 Q HA -0.087 4.254 4.340 0.001 0.000 0.200 268 Q C 0.363 176.284 176.000 -0.132 0.000 0.964 268 Q CA 0.972 56.668 55.803 -0.179 0.000 0.855 268 Q CB 0.089 28.746 28.738 -0.135 0.000 0.918 268 Q HN 0.502 nan 8.270 nan 0.000 0.444 269 D N 0.995 121.333 120.400 -0.103 0.000 2.221 269 D HA -0.107 4.534 4.640 0.001 0.000 0.204 269 D C 1.406 177.672 176.300 -0.056 0.000 0.982 269 D CA 1.555 55.515 54.000 -0.067 0.000 0.857 269 D CB -0.030 40.737 40.800 -0.054 0.000 0.934 269 D HN 0.274 nan 8.370 nan 0.000 0.475 270 S N -1.135 114.519 115.700 -0.077 0.000 2.574 270 S HA 0.319 4.790 4.470 0.001 0.000 0.242 270 S C 1.202 175.765 174.600 -0.061 0.000 0.982 270 S CA -0.480 57.690 58.200 -0.051 0.000 0.977 270 S CB 0.179 63.352 63.200 -0.045 0.000 0.814 270 S HN 0.149 nan 8.310 nan 0.000 0.464 271 I N -0.458 120.051 120.570 -0.100 0.000 3.626 271 I HA 0.349 4.519 4.170 0.001 0.000 0.256 271 I C 0.442 176.505 176.117 -0.091 0.000 1.105 271 I CA -0.120 61.090 61.300 -0.150 0.000 1.656 271 I CB 0.660 38.452 38.000 -0.348 0.000 1.672 271 I HN 0.337 nan 8.210 nan 0.000 0.421 272 S N -0.772 114.848 115.700 -0.133 0.000 2.556 272 S HA 0.382 4.853 4.470 0.001 0.000 0.271 272 S C 0.114 174.703 174.600 -0.019 0.000 1.135 272 S CA -0.392 57.802 58.200 -0.009 0.000 0.858 272 S CB 1.890 65.141 63.200 0.086 0.000 1.114 272 S HN 0.163 nan 8.310 nan 0.000 0.468 273 S N 2.089 117.802 115.700 0.022 0.000 2.478 273 S HA 0.094 4.565 4.470 0.001 0.000 0.222 273 S C 1.329 175.934 174.600 0.009 0.000 1.008 273 S CA 0.069 58.273 58.200 0.006 0.000 0.928 273 S CB -0.035 63.171 63.200 0.011 0.000 0.781 273 S HN 0.600 nan 8.310 nan 0.000 0.518 274 K N 1.670 122.091 120.400 0.035 0.000 2.486 274 K HA 0.241 4.562 4.320 0.001 0.000 0.194 274 K C 1.569 178.182 176.600 0.021 0.000 1.033 274 K CA 0.152 56.460 56.287 0.035 0.000 1.004 274 K CB -0.426 32.112 32.500 0.063 0.000 0.798 274 K HN 0.379 nan 8.250 nan 0.000 0.495 275 L N 1.146 122.368 121.223 -0.001 0.000 1.973 275 L HA -0.258 4.083 4.340 0.001 0.000 0.208 275 L C 1.839 178.692 176.870 -0.029 0.000 1.073 275 L CA 1.417 56.239 54.840 -0.029 0.000 0.746 275 L CB -0.826 41.181 42.059 -0.088 0.000 0.891 275 L HN 0.093 nan 8.230 nan 0.000 0.433 276 K N 0.803 121.183 120.400 -0.033 0.000 2.200 276 K HA -0.405 3.916 4.320 0.001 0.000 0.206 276 K C 1.532 178.119 176.600 -0.021 0.000 0.782 276 K CA 2.658 58.928 56.287 -0.027 0.000 1.047 276 K CB -1.397 31.092 32.500 -0.019 0.000 0.989 276 K HN 0.446 nan 8.250 nan 0.000 0.595 277 E N 0.247 120.439 120.200 -0.014 0.000 2.023 277 E HA -0.186 4.165 4.350 0.001 0.000 0.196 277 E C 1.958 178.551 176.600 -0.012 0.000 1.003 277 E CA 2.013 58.408 56.400 -0.009 0.000 0.809 277 E CB -0.281 29.418 29.700 -0.003 0.000 0.755 277 E HN 0.512 nan 8.360 nan 0.000 0.449 278 c N 0.681 119.271 118.600 -0.017 0.000 2.401 278 c HA -0.148 4.423 4.570 0.001 0.000 0.286 278 c C 2.301 176.375 174.090 -0.027 0.000 1.332 278 c CA 0.442 56.755 56.329 -0.025 0.000 1.795 278 c CB -1.093 41.394 42.510 -0.040 0.000 1.922 278 c HN 0.592 nan 8.230 nan 0.000 0.520 279 c N 1.129 119.712 118.600 -0.028 0.000 2.399 279 c HA 0.068 4.639 4.570 0.001 0.000 0.348 279 c C 1.644 175.723 174.090 -0.019 0.000 1.318 279 c CA 0.390 56.702 56.329 -0.028 0.000 1.621 279 c CB -2.318 40.169 42.510 -0.039 0.000 1.683 279 c HN 0.648 nan 8.230 nan 0.000 0.595 280 E N -0.215 119.977 120.200 -0.012 0.000 2.508 280 E HA 0.066 4.417 4.350 0.001 0.000 0.217 280 E C 0.348 176.949 176.600 0.002 0.000 0.896 280 E CA 0.007 56.404 56.400 -0.005 0.000 1.118 280 E CB 0.527 30.226 29.700 -0.002 0.000 1.133 280 E HN 0.603 nan 8.360 nan 0.000 0.526 281 K N 2.031 122.432 120.400 0.002 0.000 2.154 281 K HA 0.252 4.573 4.320 0.001 0.000 0.264 281 K C -2.476 174.127 176.600 0.006 0.000 1.008 281 K CA -1.855 54.439 56.287 0.011 0.000 0.937 281 K CB 0.212 32.722 32.500 0.016 0.000 1.002 281 K HN -0.192 nan 8.250 nan 0.000 0.469 282 P HA -0.170 nan 4.420 nan 0.000 0.271 282 P C 0.741 178.040 177.300 -0.001 0.000 1.212 282 P CA -0.161 62.943 63.100 0.007 0.000 0.788 282 P CB 0.390 32.098 31.700 0.013 0.000 0.865 283 L N 0.983 122.203 121.223 -0.005 0.000 2.187 283 L HA -0.130 4.210 4.340 0.001 0.000 0.213 283 L C 1.782 178.641 176.870 -0.018 0.000 1.100 283 L CA 1.824 56.658 54.840 -0.009 0.000 0.765 283 L CB -1.194 40.862 42.059 -0.006 0.000 0.904 283 L HN 0.344 nan 8.230 nan 0.000 0.437 284 L N -0.379 120.834 121.223 -0.017 0.000 2.005 284 L HA -0.166 4.175 4.340 0.001 0.000 0.207 284 L C 2.301 179.150 176.870 -0.035 0.000 1.072 284 L CA 1.535 56.359 54.840 -0.027 0.000 0.744 284 L CB -1.177 40.874 42.059 -0.014 0.000 0.895 284 L HN 0.317 nan 8.230 nan 0.000 0.433 285 E N -0.449 119.741 120.200 -0.017 0.000 2.482 285 E HA -0.159 4.191 4.350 0.001 0.000 0.196 285 E C 1.821 178.378 176.600 -0.072 0.000 1.047 285 E CA 0.119 56.492 56.400 -0.044 0.000 0.869 285 E CB 0.125 29.830 29.700 0.008 0.000 0.836 285 E HN 0.303 nan 8.360 nan 0.000 0.520 286 K N 0.191 120.562 120.400 -0.047 0.000 2.432 286 K HA 0.023 4.343 4.320 0.001 0.000 0.196 286 K C 1.593 178.163 176.600 -0.049 0.000 1.038 286 K CA 0.558 56.817 56.287 -0.046 0.000 0.986 286 K CB 0.316 32.801 32.500 -0.026 0.000 0.782 286 K HN -0.075 nan 8.250 nan 0.000 0.485 287 S N -0.630 115.037 115.700 -0.054 0.000 2.370 287 S HA -0.084 4.386 4.470 0.001 0.000 0.214 287 S C 1.527 176.089 174.600 -0.063 0.000 1.033 287 S CA 0.679 58.850 58.200 -0.047 0.000 0.941 287 S CB -0.466 62.695 63.200 -0.065 0.000 0.886 287 S HN 0.524 nan 8.310 nan 0.000 0.521 288 H N 0.987 119.940 119.070 -0.194 0.000 2.400 288 H HA -0.171 4.386 4.556 0.001 0.000 0.295 288 H C 2.304 177.521 175.328 -0.185 0.000 1.118 288 H CA 1.970 57.888 56.048 -0.217 0.000 1.256 288 H CB -0.856 28.703 29.762 -0.338 0.000 1.365 288 H HN 0.437 nan 8.280 nan 0.000 0.502 289 c N -0.209 118.130 118.600 -0.434 0.000 2.541 289 c HA -0.047 4.524 4.570 0.001 0.000 0.282 289 c C 2.764 176.735 174.090 -0.199 0.000 1.263 289 c CA 0.678 56.757 56.329 -0.416 0.000 1.709 289 c CB -1.349 41.005 42.510 -0.259 0.000 2.097 289 c HN 0.679 nan 8.230 nan 0.000 0.480 290 I N 2.206 122.724 120.570 -0.087 0.000 2.181 290 I HA -0.222 3.949 4.170 0.001 0.000 0.247 290 I C 2.862 179.045 176.117 0.110 0.000 1.081 290 I CA 2.169 63.483 61.300 0.023 0.000 1.340 290 I CB -1.859 36.160 38.000 0.032 0.000 1.036 290 I HN 0.536 nan 8.210 nan 0.000 0.417 291 A N -0.034 122.827 122.820 0.070 0.000 1.873 291 A HA -0.113 4.208 4.320 0.001 0.000 0.215 291 A C 1.396 179.013 177.584 0.054 0.000 1.186 291 A CA 1.063 53.173 52.037 0.123 0.000 0.616 291 A CB -0.267 18.827 19.000 0.157 0.000 0.823 291 A HN 0.361 nan 8.150 nan 0.000 0.442 292 E N 0.724 120.900 120.200 -0.041 0.000 2.282 292 E HA 0.313 4.664 4.350 0.001 0.000 0.247 292 E C 0.434 176.986 176.600 -0.080 0.000 1.113 292 E CA 0.008 56.373 56.400 -0.059 0.000 1.095 292 E CB 0.438 30.086 29.700 -0.088 0.000 1.328 292 E HN 0.448 nan 8.360 nan 0.000 0.463 293 V N -1.138 118.763 119.914 -0.023 0.000 4.825 293 V HA 0.478 4.599 4.120 0.001 0.000 0.171 293 V C 0.595 176.687 176.094 -0.003 0.000 1.220 293 V CA -0.207 62.092 62.300 -0.002 0.000 1.426 293 V CB 0.272 32.138 31.823 0.073 0.000 1.936 293 V HN 0.301 nan 8.190 nan 0.000 0.388 294 E N -0.546 119.662 120.200 0.013 0.000 2.430 294 E HA 0.368 4.719 4.350 0.001 0.000 0.279 294 E C -1.684 174.907 176.600 -0.015 0.000 1.003 294 E CA -0.980 55.416 56.400 -0.007 0.000 0.801 294 E CB 1.846 31.547 29.700 0.002 0.000 1.313 294 E HN 0.604 nan 8.360 nan 0.000 0.459 295 N N 2.231 120.909 118.700 -0.036 0.000 2.405 295 N HA 0.097 4.838 4.740 0.001 0.000 0.260 295 N C -1.070 174.440 175.510 -0.001 0.000 1.152 295 N CA -0.076 52.947 53.050 -0.046 0.000 0.948 295 N CB 0.548 38.998 38.487 -0.061 0.000 1.111 295 N HN 0.392 nan 8.380 nan 0.000 0.485 296 D N 1.155 121.582 120.400 0.045 0.000 2.506 296 D HA -0.085 4.556 4.640 0.001 0.000 0.234 296 D C -0.187 176.128 176.300 0.024 0.000 1.143 296 D CA 0.197 54.235 54.000 0.063 0.000 0.871 296 D CB 0.560 41.436 40.800 0.127 0.000 1.190 296 D HN 0.273 nan 8.370 nan 0.000 0.459 297 E N 2.264 122.472 120.200 0.014 0.000 2.529 297 E HA -0.018 4.333 4.350 0.001 0.000 0.259 297 E C 0.225 176.821 176.600 -0.007 0.000 0.966 297 E CA 0.361 56.759 56.400 -0.004 0.000 0.937 297 E CB 0.272 29.970 29.700 -0.005 0.000 0.923 297 E HN 0.426 nan 8.360 nan 0.000 0.468 298 M N 4.446 124.029 119.600 -0.028 0.000 2.247 298 M HA 0.001 4.481 4.480 0.001 0.000 0.318 298 M C -1.743 174.541 176.300 -0.028 0.000 1.054 298 M CA -0.993 54.283 55.300 -0.041 0.000 1.117 298 M CB -0.015 32.540 32.600 -0.075 0.000 1.515 298 M HN 0.346 nan 8.290 nan 0.000 0.442 299 P HA -0.051 nan 4.420 nan 0.000 0.269 299 P C -0.318 176.968 177.300 -0.023 0.000 1.205 299 P CA 0.166 63.258 63.100 -0.014 0.000 0.780 299 P CB 0.394 32.086 31.700 -0.014 0.000 0.858 300 A N 0.866 123.677 122.820 -0.015 0.000 2.067 300 A HA -0.068 4.252 4.320 0.001 0.000 0.219 300 A C 0.852 178.422 177.584 -0.023 0.000 1.158 300 A CA 1.397 53.424 52.037 -0.018 0.000 0.661 300 A CB -0.446 18.547 19.000 -0.011 0.000 0.801 300 A HN 0.595 nan 8.150 nan 0.000 0.452 301 D N -1.103 119.283 120.400 -0.023 0.000 2.857 301 D HA 0.585 5.225 4.640 0.001 0.000 0.227 301 D C -1.699 174.579 176.300 -0.036 0.000 1.192 301 D CA -0.263 53.720 54.000 -0.028 0.000 0.857 301 D CB 1.436 42.224 40.800 -0.019 0.000 1.645 301 D HN 0.074 nan 8.370 nan 0.000 0.482 302 L N 3.587 124.782 121.223 -0.047 0.000 2.505 302 L HA 0.324 4.664 4.340 0.001 0.000 0.266 302 L C -1.840 174.996 176.870 -0.057 0.000 0.954 302 L CA -1.544 53.261 54.840 -0.060 0.000 0.852 302 L CB 2.558 44.565 42.059 -0.088 0.000 1.282 302 L HN 0.238 nan 8.230 nan 0.000 0.403 303 P HA -0.038 nan 4.420 nan 0.000 0.247 303 P C 0.519 177.785 177.300 -0.058 0.000 1.225 303 P CA 0.228 63.298 63.100 -0.049 0.000 0.768 303 P CB 0.064 31.738 31.700 -0.042 0.000 1.020 304 S N -1.442 114.216 115.700 -0.069 0.000 3.484 304 S HA -0.259 4.212 4.470 0.001 0.000 0.384 304 S C 0.728 175.288 174.600 -0.067 0.000 0.932 304 S CA 0.469 58.623 58.200 -0.077 0.000 1.293 304 S CB -2.765 60.390 63.200 -0.075 0.000 0.919 304 S HN 0.196 nan 8.310 nan 0.000 0.540 305 L N -0.243 120.962 121.223 -0.029 0.000 5.815 305 L HA -0.267 4.074 4.340 0.001 0.000 0.053 305 L C 2.201 179.028 176.870 -0.071 0.000 1.954 305 L CA 2.280 57.142 54.840 0.037 0.000 1.859 305 L CB -1.832 40.311 42.059 0.141 0.000 2.528 305 L HN 1.921 nan 8.230 nan 0.000 0.918 306 A N -1.577 121.123 122.820 -0.201 0.000 4.725 306 A HA -0.424 3.896 4.320 0.001 0.000 0.343 306 A C 1.860 179.343 177.584 -0.169 0.000 1.760 306 A CA 3.724 55.547 52.037 -0.357 0.000 0.747 306 A CB -2.291 16.522 19.000 -0.312 0.000 1.450 306 A HN 2.136 nan 8.150 nan 0.000 0.454 307 A N -0.832 121.912 122.820 -0.128 0.000 1.954 307 A HA -0.302 4.019 4.320 0.001 0.000 0.222 307 A C 1.483 178.999 177.584 -0.112 0.000 1.199 307 A CA 3.043 55.024 52.037 -0.092 0.000 0.657 307 A CB -1.252 17.701 19.000 -0.079 0.000 0.823 307 A HN 0.920 nan 8.150 nan 0.000 0.463 308 D N -1.645 118.647 120.400 -0.181 0.000 2.097 308 D HA -0.066 4.575 4.640 0.001 0.000 0.195 308 D C 1.411 177.401 176.300 -0.516 0.000 0.989 308 D CA 1.672 55.421 54.000 -0.418 0.000 0.827 308 D CB -0.238 40.167 40.800 -0.658 0.000 0.966 308 D HN 0.606 nan 8.370 nan 0.000 0.456 309 F N -0.608 119.300 119.950 -0.071 0.000 2.637 309 F HA 0.109 4.637 4.527 0.001 0.000 0.284 309 F C 2.161 177.981 175.800 0.034 0.000 1.105 309 F CA -0.159 57.817 58.000 -0.039 0.000 1.356 309 F CB -0.116 38.714 39.000 -0.283 0.000 1.096 309 F HN -0.142 nan 8.300 nan 0.000 0.616 310 V N -1.669 118.329 119.914 0.140 0.000 2.453 310 V HA -0.064 4.057 4.120 0.001 0.000 0.247 310 V C 1.398 177.650 176.094 0.263 0.000 1.048 310 V CA 1.548 63.940 62.300 0.153 0.000 1.049 310 V CB -0.475 31.326 31.823 -0.037 0.000 0.672 310 V HN 0.174 nan 8.190 nan 0.000 0.457 311 E N 0.459 120.760 120.200 0.167 0.000 2.799 311 E HA 0.282 4.632 4.350 0.001 0.000 0.298 311 E C 1.400 178.129 176.600 0.214 0.000 0.805 311 E CA 1.044 57.568 56.400 0.207 0.000 1.265 311 E CB -0.253 29.500 29.700 0.088 0.000 2.052 311 E HN 0.398 nan 8.360 nan 0.000 0.541 312 S N -0.309 115.461 115.700 0.117 0.000 3.225 312 S HA -0.339 4.132 4.470 0.001 0.000 0.308 312 S C 0.416 175.105 174.600 0.148 0.000 1.270 312 S CA 1.352 59.614 58.200 0.102 0.000 1.011 312 S CB -1.000 62.253 63.200 0.089 0.000 1.138 312 S HN 0.413 nan 8.310 nan 0.000 0.661 313 K N -0.361 120.164 120.400 0.208 0.000 11.238 313 K HA -0.260 4.061 4.320 0.001 0.000 0.527 313 K C -0.146 176.572 176.600 0.196 0.000 0.396 313 K CA 2.472 58.915 56.287 0.260 0.000 1.912 313 K CB -2.248 30.355 32.500 0.172 0.000 0.792 313 K HN 0.906 nan 8.250 nan 0.000 1.257 314 D N 2.033 122.511 120.400 0.131 0.000 2.505 314 D HA 0.387 5.028 4.640 0.001 0.000 0.242 314 D C 0.962 177.334 176.300 0.121 0.000 1.136 314 D CA -0.353 53.711 54.000 0.107 0.000 0.954 314 D CB 0.685 41.515 40.800 0.050 0.000 1.002 314 D HN 0.021 nan 8.370 nan 0.000 0.512 315 V N 0.635 120.646 119.914 0.161 0.000 2.594 315 V HA -0.271 3.849 4.120 0.001 0.000 0.253 315 V C 1.949 178.055 176.094 0.020 0.000 1.069 315 V CA 1.296 63.664 62.300 0.113 0.000 1.082 315 V CB -0.473 31.367 31.823 0.030 0.000 0.680 315 V HN 0.688 nan 8.190 nan 0.000 0.469 316 c N -0.554 118.081 118.600 0.059 0.000 2.485 316 c HA -0.006 4.564 4.570 0.001 0.000 0.283 316 c C 2.455 176.546 174.090 0.001 0.000 1.478 316 c CA -0.058 56.318 56.329 0.077 0.000 1.741 316 c CB -1.208 41.359 42.510 0.096 0.000 1.675 316 c HN 0.442 nan 8.230 nan 0.000 0.573 317 K N 2.228 122.630 120.400 0.005 0.000 1.986 317 K HA -0.024 4.297 4.320 0.001 0.000 0.215 317 K C 1.314 177.897 176.600 -0.029 0.000 1.033 317 K CA 1.201 57.487 56.287 -0.000 0.000 0.962 317 K CB -0.855 31.666 32.500 0.035 0.000 0.755 317 K HN 0.468 nan 8.250 nan 0.000 0.444 318 N N 0.077 118.781 118.700 0.007 0.000 2.627 318 N HA -0.149 4.591 4.740 0.001 0.000 0.196 318 N C 0.870 176.296 175.510 -0.140 0.000 1.268 318 N CA 0.161 53.236 53.050 0.042 0.000 0.904 318 N CB 0.117 38.732 38.487 0.214 0.000 1.016 318 N HN 0.242 nan 8.380 nan 0.000 0.448 319 Y N 0.421 120.395 120.300 -0.543 0.000 2.583 319 Y HA 0.322 4.872 4.550 0.001 0.000 0.270 319 Y C 2.063 177.776 175.900 -0.311 0.000 1.113 319 Y CA 0.371 57.987 58.100 -0.806 0.000 1.307 319 Y CB -0.605 37.128 38.460 -1.212 0.000 1.369 319 Y HN -0.083 nan 8.280 nan 0.000 0.506 320 A N 0.355 122.840 122.820 -0.557 0.000 2.225 320 A HA -0.128 4.192 4.320 0.001 0.000 0.215 320 A C 1.953 179.359 177.584 -0.296 0.000 1.164 320 A CA 1.765 53.495 52.037 -0.511 0.000 0.710 320 A CB -0.779 18.073 19.000 -0.246 0.000 0.780 320 A HN 0.717 nan 8.150 nan 0.000 0.473 321 E N -1.750 118.322 120.200 -0.214 0.000 2.413 321 E HA 0.313 4.664 4.350 0.001 0.000 0.203 321 E C 1.398 177.962 176.600 -0.059 0.000 0.957 321 E CA 0.652 56.991 56.400 -0.102 0.000 0.950 321 E CB 0.193 29.864 29.700 -0.048 0.000 0.957 321 E HN 0.445 nan 8.360 nan 0.000 0.497 322 A N 0.326 123.113 122.820 -0.056 0.000 2.226 322 A HA 0.226 4.547 4.320 0.001 0.000 0.207 322 A C 1.007 178.638 177.584 0.079 0.000 1.293 322 A CA 0.069 52.139 52.037 0.056 0.000 0.968 322 A CB 0.416 19.516 19.000 0.166 0.000 1.044 322 A HN 0.013 nan 8.150 nan 0.000 0.493 323 K N 0.226 120.602 120.400 -0.041 0.000 5.335 323 K HA -0.232 4.088 4.320 0.001 0.000 0.272 323 K C -0.237 176.581 176.600 0.364 0.000 0.665 323 K CA 2.219 58.524 56.287 0.029 0.000 0.885 323 K CB -1.956 30.510 32.500 -0.057 0.000 0.784 323 K HN 0.516 nan 8.250 nan 0.000 0.859 324 D N 0.514 121.074 120.400 0.267 0.000 2.354 324 D HA 0.188 4.829 4.640 0.001 0.000 0.238 324 D C 1.618 178.123 176.300 0.342 0.000 1.250 324 D CA 1.030 55.206 54.000 0.294 0.000 0.911 324 D CB 0.397 41.323 40.800 0.210 0.000 1.163 324 D HN 0.276 nan 8.370 nan 0.000 0.456 325 V N -0.805 119.310 119.914 0.336 0.000 1.115 325 V HA -0.378 3.742 4.120 0.001 0.000 0.037 325 V C 1.382 177.721 176.094 0.408 0.000 2.140 325 V CA 2.196 64.736 62.300 0.400 0.000 3.046 325 V CB -1.635 30.411 31.823 0.372 0.000 1.438 325 V HN 0.618 nan 8.190 nan 0.000 0.999 326 F N 0.421 120.552 119.950 0.302 0.000 2.147 326 F HA 0.086 4.614 4.527 0.001 0.000 0.291 326 F C 1.910 177.921 175.800 0.351 0.000 1.093 326 F CA 2.248 60.451 58.000 0.338 0.000 1.263 326 F CB -0.088 39.154 39.000 0.404 0.000 1.036 326 F HN 0.172 nan 8.300 nan 0.000 0.481 327 L N 0.102 121.629 121.223 0.507 0.000 2.201 327 L HA -0.042 4.299 4.340 0.001 0.000 0.212 327 L C 2.658 179.588 176.870 0.101 0.000 1.105 327 L CA 1.086 56.130 54.840 0.340 0.000 0.775 327 L CB -1.629 40.669 42.059 0.398 0.000 0.913 327 L HN 0.376 nan 8.230 nan 0.000 0.440 328 G N -0.484 108.400 108.800 0.140 0.000 2.394 328 G HA2 -0.178 3.782 3.960 0.001 0.000 0.215 328 G HA3 -0.178 3.782 3.960 0.001 0.000 0.215 328 G C 1.654 176.471 174.900 -0.139 0.000 1.165 328 G CA 0.123 45.275 45.100 0.086 0.000 0.784 328 G HN 0.043 nan 8.290 nan 0.000 0.535 329 M N -0.080 119.347 119.600 -0.288 0.000 2.106 329 M HA -0.049 4.431 4.480 0.001 0.000 0.259 329 M C 2.289 178.512 176.300 -0.127 0.000 1.068 329 M CA 1.295 56.250 55.300 -0.575 0.000 1.100 329 M CB -0.645 31.812 32.600 -0.237 0.000 1.351 329 M HN 0.429 nan 8.290 nan 0.000 0.404 330 F N 0.512 120.256 119.950 -0.344 0.000 2.039 330 F HA -0.277 4.250 4.527 0.001 0.000 0.294 330 F C 2.184 177.732 175.800 -0.421 0.000 1.130 330 F CA 0.871 58.436 58.000 -0.726 0.000 1.189 330 F CB -0.293 37.983 39.000 -1.207 0.000 0.983 330 F HN 0.021 nan 8.300 nan 0.000 0.471 331 L N 0.853 121.623 121.223 -0.755 0.000 2.021 331 L HA -0.290 4.051 4.340 0.001 0.000 0.215 331 L C 2.283 178.971 176.870 -0.304 0.000 1.074 331 L CA 2.298 56.722 54.840 -0.693 0.000 0.760 331 L CB -1.675 40.129 42.059 -0.423 0.000 0.889 331 L HN 0.530 nan 8.230 nan 0.000 0.433 332 Y N 0.668 120.814 120.300 -0.256 0.000 2.053 332 Y HA -0.281 4.270 4.550 0.001 0.000 0.277 332 Y C 2.419 178.266 175.900 -0.088 0.000 1.159 332 Y CA 2.314 60.333 58.100 -0.135 0.000 1.125 332 Y CB -0.596 37.777 38.460 -0.145 0.000 0.969 332 Y HN 0.329 nan 8.280 nan 0.000 0.492 333 E N -0.612 119.338 120.200 -0.415 0.000 2.070 333 E HA -0.281 4.070 4.350 0.001 0.000 0.197 333 E C 2.179 178.663 176.600 -0.194 0.000 1.004 333 E CA 1.927 58.107 56.400 -0.367 0.000 0.805 333 E CB -1.035 28.695 29.700 0.049 0.000 0.744 333 E HN 0.671 nan 8.360 nan 0.000 0.451 334 Y N 0.745 120.913 120.300 -0.221 0.000 2.184 334 Y HA -0.067 4.483 4.550 0.001 0.000 0.290 334 Y C 2.345 178.161 175.900 -0.140 0.000 1.129 334 Y CA 1.445 59.462 58.100 -0.139 0.000 1.144 334 Y CB -0.299 37.967 38.460 -0.324 0.000 0.995 334 Y HN 0.022 nan 8.280 nan 0.000 0.513 335 A N 0.672 123.467 122.820 -0.041 0.000 2.066 335 A HA -0.120 4.201 4.320 0.001 0.000 0.218 335 A C 2.200 179.722 177.584 -0.102 0.000 1.157 335 A CA 1.304 53.296 52.037 -0.076 0.000 0.670 335 A CB -0.656 18.260 19.000 -0.140 0.000 0.804 335 A HN 0.616 nan 8.150 nan 0.000 0.453 336 R N 0.329 120.730 120.500 -0.166 0.000 2.153 336 R HA -0.046 4.294 4.340 0.001 0.000 0.218 336 R C 1.387 177.572 176.300 -0.191 0.000 1.072 336 R CA 1.201 57.194 56.100 -0.179 0.000 0.990 336 R CB -0.306 29.813 30.300 -0.302 0.000 0.889 336 R HN 0.534 nan 8.270 nan 0.000 0.452 337 R N 0.148 120.505 120.500 -0.239 0.000 2.515 337 R HA 0.213 4.553 4.340 0.001 0.000 0.294 337 R C -0.422 175.472 176.300 -0.677 0.000 1.021 337 R CA -0.243 55.629 56.100 -0.379 0.000 1.081 337 R CB 0.133 30.189 30.300 -0.406 0.000 1.263 337 R HN 0.321 nan 8.270 nan 0.000 0.557 338 H N 0.083 118.970 119.070 -0.305 0.000 2.823 338 H HA 0.182 4.739 4.556 0.001 0.000 0.222 338 H C -2.278 172.925 175.328 -0.208 0.000 1.414 338 H CA -1.493 54.321 56.048 -0.390 0.000 1.289 338 H CB 1.655 30.947 29.762 -0.784 0.000 1.970 338 H HN 0.046 nan 8.280 nan 0.000 0.517 339 P HA -0.167 nan 4.420 nan 0.000 0.218 339 P C 1.520 178.833 177.300 0.022 0.000 1.148 339 P CA 1.386 64.461 63.100 -0.042 0.000 0.822 339 P CB 0.323 31.987 31.700 -0.059 0.000 0.784 340 D N -2.631 117.819 120.400 0.083 0.000 2.249 340 D HA -0.130 4.511 4.640 0.001 0.000 0.205 340 D C 0.535 176.967 176.300 0.221 0.000 0.962 340 D CA 0.313 54.393 54.000 0.133 0.000 0.860 340 D CB -0.932 39.948 40.800 0.134 0.000 0.955 340 D HN 0.101 nan 8.370 nan 0.000 0.505 341 Y N 2.650 122.962 120.300 0.021 0.000 2.652 341 Y HA 0.041 4.592 4.550 0.001 0.000 0.344 341 Y C 1.555 177.427 175.900 -0.047 0.000 1.254 341 Y CA -1.164 56.931 58.100 -0.009 0.000 1.480 341 Y CB 0.371 38.824 38.460 -0.013 0.000 1.345 341 Y HN -0.056 nan 8.280 nan 0.000 0.617 342 S N 0.494 116.216 115.700 0.035 0.000 2.576 342 S HA 0.146 4.617 4.470 0.001 0.000 0.276 342 S C 0.727 175.307 174.600 -0.034 0.000 1.339 342 S CA -0.722 57.471 58.200 -0.012 0.000 1.039 342 S CB 0.908 64.085 63.200 -0.039 0.000 0.902 342 S HN 0.423 nan 8.310 nan 0.000 0.516 343 V N 2.887 122.754 119.914 -0.078 0.000 3.141 343 V HA -0.063 4.058 4.120 0.001 0.000 0.265 343 V C 1.913 177.930 176.094 -0.127 0.000 1.126 343 V CA 0.967 63.166 62.300 -0.169 0.000 1.141 343 V CB -0.915 30.712 31.823 -0.327 0.000 0.743 343 V HN 0.830 nan 8.190 nan 0.000 0.492 344 V N -0.619 119.256 119.914 -0.064 0.000 2.825 344 V HA -0.014 4.107 4.120 0.001 0.000 0.246 344 V C 2.137 178.172 176.094 -0.099 0.000 1.068 344 V CA 0.929 63.198 62.300 -0.051 0.000 1.088 344 V CB -0.042 31.773 31.823 -0.014 0.000 0.733 344 V HN 0.496 nan 8.190 nan 0.000 0.468 345 L N 0.531 121.688 121.223 -0.109 0.000 2.027 345 L HA -0.074 4.267 4.340 0.001 0.000 0.206 345 L C 2.195 178.948 176.870 -0.195 0.000 1.074 345 L CA 1.916 56.663 54.840 -0.155 0.000 0.745 345 L CB -0.779 41.170 42.059 -0.183 0.000 0.898 345 L HN 0.208 nan 8.230 nan 0.000 0.433 346 L N -1.134 120.001 121.223 -0.148 0.000 2.129 346 L HA -0.266 4.075 4.340 0.001 0.000 0.212 346 L C 2.548 179.211 176.870 -0.345 0.000 1.087 346 L CA 1.301 55.990 54.840 -0.252 0.000 0.757 346 L CB -0.614 41.328 42.059 -0.194 0.000 0.896 346 L HN 0.336 nan 8.230 nan 0.000 0.434 347 L N -1.070 120.005 121.223 -0.246 0.000 2.095 347 L HA -0.108 4.232 4.340 0.001 0.000 0.204 347 L C 2.846 179.586 176.870 -0.216 0.000 1.080 347 L CA 0.914 55.625 54.840 -0.215 0.000 0.759 347 L CB -0.336 41.646 42.059 -0.127 0.000 0.914 347 L HN 0.115 nan 8.230 nan 0.000 0.439 348 R N -0.104 120.270 120.500 -0.209 0.000 2.105 348 R HA -0.174 4.167 4.340 0.001 0.000 0.239 348 R C 2.239 178.364 176.300 -0.292 0.000 1.135 348 R CA 1.342 57.319 56.100 -0.204 0.000 0.967 348 R CB -0.395 29.796 30.300 -0.182 0.000 0.861 348 R HN 0.351 nan 8.270 nan 0.000 0.442 349 L N -0.408 120.538 121.223 -0.462 0.000 2.017 349 L HA -0.149 4.192 4.340 0.001 0.000 0.208 349 L C 2.590 179.154 176.870 -0.509 0.000 1.073 349 L CA 1.314 55.686 54.840 -0.780 0.000 0.745 349 L CB -0.498 40.869 42.059 -1.153 0.000 0.894 349 L HN 0.226 nan 8.230 nan 0.000 0.432 350 A N -0.457 122.107 122.820 -0.427 0.000 2.015 350 A HA -0.194 4.126 4.320 0.001 0.000 0.219 350 A C 2.238 179.824 177.584 0.003 0.000 1.163 350 A CA 1.477 53.369 52.037 -0.241 0.000 0.646 350 A CB -0.253 18.509 19.000 -0.397 0.000 0.806 350 A HN 0.179 nan 8.150 nan 0.000 0.448 351 K N -0.643 119.722 120.400 -0.058 0.000 2.305 351 K HA 0.033 4.354 4.320 0.001 0.000 0.199 351 K C 1.604 178.220 176.600 0.028 0.000 1.047 351 K CA 1.507 57.795 56.287 0.001 0.000 0.976 351 K CB -0.291 32.188 32.500 -0.035 0.000 0.765 351 K HN 0.375 nan 8.250 nan 0.000 0.474 352 T N -0.461 114.101 114.554 0.013 0.000 3.043 352 T HA -0.047 4.304 4.350 0.001 0.000 0.263 352 T C 1.073 175.886 174.700 0.188 0.000 1.094 352 T CA 0.663 62.806 62.100 0.073 0.000 1.127 352 T CB -0.284 68.605 68.868 0.034 0.000 0.905 352 T HN 0.234 nan 8.240 nan 0.000 0.490 353 Y N 1.861 122.222 120.300 0.103 0.000 2.231 353 Y HA 0.112 4.663 4.550 0.001 0.000 0.294 353 Y C 2.475 178.378 175.900 0.004 0.000 1.120 353 Y CA 1.158 59.307 58.100 0.082 0.000 1.141 353 Y CB -0.118 38.441 38.460 0.165 0.000 1.022 353 Y HN 0.150 nan 8.280 nan 0.000 0.523 354 E N -0.871 119.371 120.200 0.070 0.000 2.058 354 E HA -0.265 4.086 4.350 0.001 0.000 0.194 354 E C 2.076 178.657 176.600 -0.031 0.000 0.997 354 E CA 1.871 58.262 56.400 -0.015 0.000 0.801 354 E CB -0.375 29.408 29.700 0.137 0.000 0.746 354 E HN 0.410 nan 8.360 nan 0.000 0.450 355 T N -0.689 113.875 114.554 0.016 0.000 2.881 355 T HA -0.100 4.250 4.350 0.001 0.000 0.270 355 T C 1.653 176.350 174.700 -0.006 0.000 1.068 355 T CA 1.737 63.850 62.100 0.021 0.000 1.131 355 T CB -0.198 68.689 68.868 0.031 0.000 0.871 355 T HN 0.212 nan 8.240 nan 0.000 0.479 356 T N 1.670 116.192 114.554 -0.053 0.000 2.814 356 T HA 0.190 4.540 4.350 0.001 0.000 0.254 356 T C 1.877 176.509 174.700 -0.114 0.000 1.037 356 T CA 0.601 62.663 62.100 -0.063 0.000 1.143 356 T CB -0.245 68.587 68.868 -0.061 0.000 0.866 356 T HN 0.271 nan 8.240 nan 0.000 0.431 357 L N 1.183 122.217 121.223 -0.314 0.000 2.187 357 L HA -0.101 4.240 4.340 0.001 0.000 0.213 357 L C 2.660 179.508 176.870 -0.037 0.000 1.100 357 L CA 1.144 55.791 54.840 -0.322 0.000 0.765 357 L CB -0.530 41.084 42.059 -0.740 0.000 0.904 357 L HN 0.259 nan 8.230 nan 0.000 0.437 358 E N 0.676 120.882 120.200 0.010 0.000 2.285 358 E HA -0.161 4.190 4.350 0.001 0.000 0.194 358 E C 1.858 178.491 176.600 0.056 0.000 0.997 358 E CA 0.881 57.330 56.400 0.081 0.000 0.845 358 E CB 0.122 29.873 29.700 0.084 0.000 0.782 358 E HN 0.642 nan 8.360 nan 0.000 0.491 359 K N -1.019 119.406 120.400 0.041 0.000 2.353 359 K HA 0.175 4.495 4.320 0.001 0.000 0.195 359 K C 1.735 178.368 176.600 0.056 0.000 1.031 359 K CA 0.197 56.510 56.287 0.043 0.000 1.079 359 K CB 0.216 32.737 32.500 0.035 0.000 0.857 359 K HN -0.079 nan 8.250 nan 0.000 0.535 360 c N 0.322 118.974 118.600 0.086 0.000 2.609 360 c HA 0.197 4.767 4.570 0.001 0.000 0.305 360 c C 1.941 176.105 174.090 0.123 0.000 1.319 360 c CA -0.272 56.134 56.329 0.128 0.000 1.793 360 c CB -0.233 42.454 42.510 0.294 0.000 2.260 360 c HN 0.637 nan 8.230 nan 0.000 0.535 361 c N 1.421 120.097 118.600 0.128 0.000 2.536 361 c HA 0.298 4.869 4.570 0.001 0.000 0.285 361 c C 2.116 176.240 174.090 0.057 0.000 1.371 361 c CA 0.803 57.195 56.329 0.105 0.000 1.675 361 c CB -2.141 40.442 42.510 0.122 0.000 1.689 361 c HN 0.692 nan 8.230 nan 0.000 0.589 362 A N -0.585 122.264 122.820 0.047 0.000 2.469 362 A HA 0.702 5.023 4.320 0.001 0.000 0.245 362 A C 0.717 178.311 177.584 0.017 0.000 1.221 362 A CA 0.447 52.501 52.037 0.028 0.000 0.946 362 A CB 0.109 19.127 19.000 0.029 0.000 1.049 362 A HN 0.464 nan 8.150 nan 0.000 0.529 363 A N 0.157 122.986 122.820 0.014 0.000 2.374 363 A HA 0.733 5.054 4.320 0.001 0.000 0.305 363 A C 0.316 177.891 177.584 -0.015 0.000 1.053 363 A CA -0.021 52.017 52.037 0.001 0.000 0.726 363 A CB 0.579 19.581 19.000 0.002 0.000 1.229 363 A HN 1.402 nan 8.150 nan 0.000 0.431 364 A N 2.268 125.077 122.820 -0.018 0.000 2.587 364 A HA 0.402 4.722 4.320 0.001 0.000 0.233 364 A C 0.604 178.162 177.584 -0.043 0.000 1.049 364 A CA 1.438 53.457 52.037 -0.030 0.000 0.754 364 A CB -0.307 18.682 19.000 -0.020 0.000 0.977 364 A HN 1.918 nan 8.150 nan 0.000 0.509 365 D N 1.184 121.541 120.400 -0.071 0.000 3.092 365 D HA -0.094 4.547 4.640 0.001 0.000 0.253 365 D C -1.913 174.305 176.300 -0.137 0.000 1.063 365 D CA 0.771 54.724 54.000 -0.078 0.000 0.886 365 D CB -0.704 40.088 40.800 -0.014 0.000 1.021 365 D HN 0.268 nan 8.370 nan 0.000 0.425 366 P HA -0.106 nan 4.420 nan 0.000 0.214 366 P C 1.320 178.121 177.300 -0.832 0.000 1.162 366 P CA 1.619 64.519 63.100 -0.332 0.000 0.874 366 P CB -0.268 31.368 31.700 -0.106 0.000 0.784 367 H N -0.985 117.722 119.070 -0.604 0.000 2.568 367 H HA 0.085 4.642 4.556 0.001 0.000 0.281 367 H C 0.920 175.966 175.328 -0.471 0.000 1.028 367 H CA 0.447 56.120 56.048 -0.625 0.000 1.199 367 H CB -0.422 29.265 29.762 -0.124 0.000 1.352 367 H HN 0.285 nan 8.280 nan 0.000 0.605 368 E N 0.095 120.202 120.200 -0.154 0.000 2.421 368 E HA 0.006 4.357 4.350 0.001 0.000 0.209 368 E C 1.897 178.406 176.600 -0.151 0.000 0.871 368 E CA 0.235 56.564 56.400 -0.118 0.000 1.064 368 E CB 0.148 29.831 29.700 -0.029 0.000 1.075 368 E HN 0.385 nan 8.360 nan 0.000 0.513 369 c N 1.578 120.046 118.600 -0.221 0.000 2.455 369 c HA -0.138 4.432 4.570 0.001 0.000 0.281 369 c C 2.064 176.117 174.090 -0.062 0.000 1.237 369 c CA 1.033 57.287 56.329 -0.126 0.000 1.726 369 c CB -0.767 41.685 42.510 -0.096 0.000 2.068 369 c HN 0.428 nan 8.230 nan 0.000 0.466 370 Y N -0.403 119.920 120.300 0.038 0.000 2.965 370 Y HA 0.545 5.096 4.550 0.001 0.000 0.497 370 Y C 1.921 177.854 175.900 0.054 0.000 1.444 370 Y CA 0.218 58.342 58.100 0.039 0.000 2.064 370 Y CB -1.318 37.160 38.460 0.030 0.000 1.739 370 Y HN 0.576 nan 8.280 nan 0.000 0.690 371 A N -0.825 122.308 122.820 0.521 0.000 4.395 371 A HA -0.348 3.973 4.320 0.001 0.000 0.264 371 A C 0.942 178.611 177.584 0.141 0.000 0.822 371 A CA 2.078 54.279 52.037 0.272 0.000 1.118 371 A CB -2.484 16.587 19.000 0.118 0.000 1.060 371 A HN 0.688 nan 8.150 nan 0.000 0.780 372 K N -0.707 119.775 120.400 0.136 0.000 3.010 372 K HA 0.488 4.809 4.320 0.001 0.000 0.211 372 K C 0.778 177.439 176.600 0.101 0.000 1.146 372 K CA 0.474 56.815 56.287 0.090 0.000 1.070 372 K CB 0.887 33.420 32.500 0.054 0.000 0.908 372 K HN 0.508 nan 8.250 nan 0.000 0.463 373 V N -0.412 119.588 119.914 0.143 0.000 2.795 373 V HA 0.019 4.140 4.120 0.001 0.000 0.243 373 V C 0.931 176.910 176.094 -0.192 0.000 1.069 373 V CA 0.803 63.139 62.300 0.059 0.000 1.089 373 V CB -0.087 31.810 31.823 0.124 0.000 0.756 373 V HN 0.317 nan 8.190 nan 0.000 0.471 374 F N 1.451 121.136 119.950 -0.442 0.000 2.724 374 F HA 0.013 4.541 4.527 0.001 0.000 0.297 374 F C 1.739 177.349 175.800 -0.316 0.000 1.200 374 F CA 0.926 58.500 58.000 -0.709 0.000 1.468 374 F CB -0.612 38.178 39.000 -0.350 0.000 1.116 374 F HN 0.333 nan 8.300 nan 0.000 0.599 375 D N -0.073 120.313 120.400 -0.024 0.000 2.162 375 D HA -0.101 4.540 4.640 0.001 0.000 0.205 375 D C 1.937 178.297 176.300 0.101 0.000 0.964 375 D CA 0.967 55.002 54.000 0.059 0.000 0.847 375 D CB -0.333 40.502 40.800 0.057 0.000 0.988 375 D HN 0.367 nan 8.370 nan 0.000 0.480 376 E N 0.058 120.324 120.200 0.111 0.000 2.333 376 E HA -0.120 4.231 4.350 0.001 0.000 0.198 376 E C 1.561 178.356 176.600 0.326 0.000 1.007 376 E CA 0.375 56.890 56.400 0.192 0.000 0.845 376 E CB -0.125 29.689 29.700 0.191 0.000 0.766 376 E HN 0.219 nan 8.360 nan 0.000 0.507 377 F N 1.719 121.668 119.950 -0.001 0.000 2.113 377 F HA -0.070 4.458 4.527 0.001 0.000 0.297 377 F C 2.325 178.141 175.800 0.027 0.000 1.103 377 F CA 0.695 58.683 58.000 -0.019 0.000 1.248 377 F CB -0.879 38.103 39.000 -0.031 0.000 0.999 377 F HN -0.103 nan 8.300 nan 0.000 0.475 378 K N 0.175 120.740 120.400 0.274 0.000 2.097 378 K HA -0.236 4.084 4.320 0.001 0.000 0.214 378 K C -0.700 175.966 176.600 0.110 0.000 1.052 378 K CA 2.299 58.691 56.287 0.176 0.000 0.932 378 K CB -1.137 31.446 32.500 0.138 0.000 0.716 378 K HN 0.168 nan 8.250 nan 0.000 0.455 379 P HA -0.083 nan 4.420 nan 0.000 0.215 379 P C 0.987 178.295 177.300 0.014 0.000 1.157 379 P CA 1.086 64.214 63.100 0.047 0.000 0.856 379 P CB 0.050 31.777 31.700 0.045 0.000 0.786 380 L N -0.637 120.590 121.223 0.006 0.000 2.551 380 L HA -0.023 4.318 4.340 0.001 0.000 0.228 380 L C 1.963 178.766 176.870 -0.113 0.000 1.153 380 L CA 0.700 55.505 54.840 -0.058 0.000 0.851 380 L CB -0.737 41.270 42.059 -0.087 0.000 0.959 380 L HN -0.038 nan 8.230 nan 0.000 0.451 381 V N -4.479 115.386 119.914 -0.082 0.000 3.471 381 V HA 0.067 4.188 4.120 0.001 0.000 0.258 381 V C 1.960 177.960 176.094 -0.157 0.000 1.192 381 V CA 0.672 62.871 62.300 -0.169 0.000 1.116 381 V CB 0.138 31.948 31.823 -0.022 0.000 0.792 381 V HN 0.330 nan 8.190 nan 0.000 0.459 382 E N 0.599 120.760 120.200 -0.066 0.000 2.290 382 E HA -0.081 4.270 4.350 0.001 0.000 0.197 382 E C 2.046 178.618 176.600 -0.046 0.000 0.948 382 E CA 0.559 56.932 56.400 -0.044 0.000 0.895 382 E CB 0.150 29.850 29.700 0.000 0.000 0.865 382 E HN 0.613 nan 8.360 nan 0.000 0.486 383 E N 1.227 121.402 120.200 -0.043 0.000 2.049 383 E HA -0.143 4.208 4.350 0.001 0.000 0.198 383 E C -0.858 175.718 176.600 -0.039 0.000 1.007 383 E CA 1.673 58.054 56.400 -0.032 0.000 0.809 383 E CB -0.918 28.764 29.700 -0.029 0.000 0.749 383 E HN 0.240 nan 8.360 nan 0.000 0.450 384 P HA -0.110 nan 4.420 nan 0.000 0.214 384 P C 1.417 178.681 177.300 -0.060 0.000 1.162 384 P CA 1.540 64.600 63.100 -0.066 0.000 0.879 384 P CB -0.242 31.393 31.700 -0.108 0.000 0.786 385 Q N -0.743 119.005 119.800 -0.085 0.000 2.268 385 Q HA -0.269 4.072 4.340 0.001 0.000 0.210 385 Q C 2.057 178.037 176.000 -0.033 0.000 0.988 385 Q CA 1.737 57.501 55.803 -0.066 0.000 0.883 385 Q CB -0.726 27.968 28.738 -0.073 0.000 0.911 385 Q HN 0.292 nan 8.270 nan 0.000 0.430 386 N N 0.470 119.155 118.700 -0.024 0.000 2.080 386 N HA -0.143 4.598 4.740 0.001 0.000 0.189 386 N C 1.527 177.041 175.510 0.007 0.000 1.036 386 N CA 1.056 54.103 53.050 -0.005 0.000 0.846 386 N CB -0.234 38.252 38.487 -0.001 0.000 1.015 386 N HN 0.105 nan 8.380 nan 0.000 0.423 387 L N 0.675 121.903 121.223 0.009 0.000 2.201 387 L HA 0.023 4.364 4.340 0.001 0.000 0.212 387 L C 1.944 178.833 176.870 0.032 0.000 1.105 387 L CA 1.024 55.883 54.840 0.031 0.000 0.775 387 L CB -0.868 41.214 42.059 0.037 0.000 0.913 387 L HN 0.352 nan 8.230 nan 0.000 0.440 388 I N -0.966 119.607 120.570 0.006 0.000 2.406 388 I HA -0.231 3.939 4.170 0.001 0.000 0.249 388 I C 2.523 178.632 176.117 -0.014 0.000 1.122 388 I CA 0.652 61.947 61.300 -0.008 0.000 1.431 388 I CB -0.397 37.584 38.000 -0.032 0.000 1.087 388 I HN 0.154 nan 8.210 nan 0.000 0.424 389 K N 1.521 121.916 120.400 -0.009 0.000 1.985 389 K HA -0.229 4.091 4.320 0.001 0.000 0.210 389 K C 2.146 178.749 176.600 0.005 0.000 1.047 389 K CA 1.733 58.016 56.287 -0.007 0.000 0.932 389 K CB -0.133 32.365 32.500 -0.003 0.000 0.716 389 K HN 0.327 nan 8.250 nan 0.000 0.439 390 Q N 0.408 120.222 119.800 0.023 0.000 1.927 390 Q HA -0.201 4.140 4.340 0.001 0.000 0.210 390 Q C 2.069 178.102 176.000 0.055 0.000 1.001 390 Q CA 1.909 57.738 55.803 0.043 0.000 0.862 390 Q CB -0.425 28.348 28.738 0.059 0.000 0.934 390 Q HN 0.423 nan 8.270 nan 0.000 0.420 391 N N 0.294 119.044 118.700 0.083 0.000 2.184 391 N HA -0.175 4.566 4.740 0.001 0.000 0.190 391 N C 1.830 177.327 175.510 -0.021 0.000 1.011 391 N CA 1.147 54.271 53.050 0.124 0.000 0.867 391 N CB -0.416 38.194 38.487 0.204 0.000 0.993 391 N HN 0.305 nan 8.380 nan 0.000 0.433 392 c N 1.158 119.729 118.600 -0.047 0.000 2.453 392 c HA -0.051 4.520 4.570 0.001 0.000 0.277 392 c C 2.517 176.584 174.090 -0.038 0.000 1.262 392 c CA 0.312 56.581 56.329 -0.100 0.000 1.718 392 c CB -0.823 41.624 42.510 -0.106 0.000 2.031 392 c HN 0.517 nan 8.230 nan 0.000 0.480 393 E N 0.428 120.623 120.200 -0.009 0.000 2.033 393 E HA -0.288 4.063 4.350 0.001 0.000 0.199 393 E C 1.971 178.585 176.600 0.023 0.000 1.011 393 E CA 1.409 57.817 56.400 0.013 0.000 0.815 393 E CB -0.456 29.257 29.700 0.021 0.000 0.755 393 E HN 0.456 nan 8.360 nan 0.000 0.451 394 L N 0.752 121.996 121.223 0.036 0.000 2.042 394 L HA -0.179 4.162 4.340 0.001 0.000 0.210 394 L C 2.105 178.955 176.870 -0.033 0.000 1.076 394 L CA 1.605 56.486 54.840 0.068 0.000 0.749 394 L CB -0.677 41.504 42.059 0.204 0.000 0.893 394 L HN 0.115 nan 8.230 nan 0.000 0.432 395 F N 0.925 120.614 119.950 -0.436 0.000 2.069 395 F HA -0.198 4.330 4.527 0.001 0.000 0.298 395 F C 1.886 177.532 175.800 -0.257 0.000 1.113 395 F CA 1.712 59.329 58.000 -0.638 0.000 1.214 395 F CB -0.124 38.425 39.000 -0.753 0.000 0.978 395 F HN 0.188 nan 8.300 nan 0.000 0.474 396 E N 0.213 120.512 120.200 0.166 0.000 2.379 396 E HA -0.050 4.300 4.350 0.001 0.000 0.209 396 E C 0.758 177.375 176.600 0.027 0.000 1.284 396 E CA 0.020 56.492 56.400 0.120 0.000 1.333 396 E CB -0.114 29.647 29.700 0.101 0.000 1.307 396 E HN 0.657 nan 8.360 nan 0.000 0.441 397 Q N -0.947 118.844 119.800 -0.015 0.000 2.104 397 Q HA 0.171 4.512 4.340 0.001 0.000 0.240 397 Q C 1.435 177.426 176.000 -0.016 0.000 0.743 397 Q CA 0.116 55.917 55.803 -0.003 0.000 0.920 397 Q CB 0.801 29.551 28.738 0.019 0.000 1.198 397 Q HN 0.264 nan 8.270 nan 0.000 0.465 398 L N -0.458 120.732 121.223 -0.054 0.000 2.749 398 L HA 0.367 4.708 4.340 0.001 0.000 0.242 398 L C 0.837 177.642 176.870 -0.107 0.000 1.103 398 L CA 0.340 55.160 54.840 -0.033 0.000 0.906 398 L CB 0.942 43.029 42.059 0.046 0.000 1.228 398 L HN 0.238 nan 8.230 nan 0.000 0.517 399 G N 0.986 109.615 108.800 -0.285 0.000 2.860 399 G HA2 -0.300 3.661 3.960 0.001 0.000 0.553 399 G HA3 -0.300 3.661 3.960 0.001 0.000 0.553 399 G C 0.338 174.916 174.900 -0.537 0.000 1.439 399 G CA 0.298 45.155 45.100 -0.405 0.000 0.879 399 G HN 0.260 nan 8.290 nan 0.000 0.545 400 E N -0.833 119.094 120.200 -0.455 0.000 2.021 400 E HA -0.230 4.121 4.350 0.001 0.000 0.200 400 E C 2.107 178.700 176.600 -0.012 0.000 1.015 400 E CA 2.127 58.393 56.400 -0.224 0.000 0.824 400 E CB -0.208 29.507 29.700 0.024 0.000 0.762 400 E HN 0.640 nan 8.360 nan 0.000 0.454 401 Y N 1.173 121.436 120.300 -0.061 0.000 2.053 401 Y HA -0.261 4.290 4.550 0.002 0.000 0.277 401 Y C 2.153 178.040 175.900 -0.023 0.000 1.159 401 Y CA 2.136 60.221 58.100 -0.024 0.000 1.125 401 Y CB -0.004 38.446 38.460 -0.018 0.000 0.969 401 Y HN -0.078 nan 8.280 nan 0.000 0.492 402 K N -0.838 119.680 120.400 0.198 0.000 2.211 402 K HA -0.168 4.152 4.320 0.001 0.000 0.203 402 K C 1.945 178.550 176.600 0.009 0.000 1.050 402 K CA 1.224 57.574 56.287 0.105 0.000 0.945 402 K CB -0.399 32.182 32.500 0.136 0.000 0.732 402 K HN 0.347 nan 8.250 nan 0.000 0.451 403 F N 2.502 122.354 119.950 -0.163 0.000 2.146 403 F HA -0.162 4.365 4.527 0.001 0.000 0.298 403 F C 2.078 177.794 175.800 -0.140 0.000 1.096 403 F CA 1.465 59.369 58.000 -0.160 0.000 1.275 403 F CB -0.119 38.728 39.000 -0.256 0.000 1.008 403 F HN -0.012 nan 8.300 nan 0.000 0.480 404 Q N 0.031 119.697 119.800 -0.223 0.000 2.124 404 Q HA -0.221 4.119 4.340 0.001 0.000 0.202 404 Q C 1.861 177.655 176.000 -0.343 0.000 0.977 404 Q CA 1.725 57.336 55.803 -0.319 0.000 0.850 404 Q CB -0.418 28.180 28.738 -0.234 0.000 0.901 404 Q HN 0.395 nan 8.270 nan 0.000 0.429 405 N N 0.915 119.416 118.700 -0.333 0.000 2.069 405 N HA -0.163 4.577 4.740 0.001 0.000 0.191 405 N C 1.626 177.018 175.510 -0.197 0.000 1.031 405 N CA 1.539 54.431 53.050 -0.263 0.000 0.852 405 N CB -0.515 37.842 38.487 -0.218 0.000 1.018 405 N HN 0.296 nan 8.380 nan 0.000 0.423 406 A N 0.460 123.160 122.820 -0.200 0.000 2.024 406 A HA -0.091 4.230 4.320 0.001 0.000 0.220 406 A C 2.231 179.694 177.584 -0.201 0.000 1.164 406 A CA 1.043 52.978 52.037 -0.169 0.000 0.643 406 A CB -0.616 18.292 19.000 -0.154 0.000 0.806 406 A HN 0.253 nan 8.150 nan 0.000 0.451 407 L N -1.177 119.857 121.223 -0.315 0.000 2.127 407 L HA -0.024 4.317 4.340 0.001 0.000 0.203 407 L C 2.440 179.211 176.870 -0.166 0.000 1.080 407 L CA 0.564 55.234 54.840 -0.283 0.000 0.768 407 L CB -0.403 41.371 42.059 -0.475 0.000 0.924 407 L HN 0.345 nan 8.230 nan 0.000 0.444 408 L N -0.589 120.523 121.223 -0.185 0.000 2.129 408 L HA -0.250 4.091 4.340 0.001 0.000 0.212 408 L C 2.362 179.187 176.870 -0.074 0.000 1.087 408 L CA 1.036 55.800 54.840 -0.127 0.000 0.757 408 L CB -0.399 41.574 42.059 -0.144 0.000 0.896 408 L HN 0.138 nan 8.230 nan 0.000 0.434 409 V N -0.974 118.897 119.914 -0.072 0.000 2.446 409 V HA -0.177 3.943 4.120 0.001 0.000 0.244 409 V C 2.508 178.590 176.094 -0.020 0.000 1.039 409 V CA 1.370 63.644 62.300 -0.043 0.000 1.045 409 V CB -0.510 31.288 31.823 -0.041 0.000 0.681 409 V HN 0.409 nan 8.190 nan 0.000 0.459 410 R N -0.537 119.964 120.500 0.002 0.000 2.092 410 R HA -0.178 4.162 4.340 0.001 0.000 0.226 410 R C 2.398 178.734 176.300 0.060 0.000 1.140 410 R CA 2.051 58.174 56.100 0.039 0.000 0.910 410 R CB -0.572 29.784 30.300 0.092 0.000 0.822 410 R HN 0.417 nan 8.270 nan 0.000 0.433 411 Y N 0.598 120.838 120.300 -0.099 0.000 2.384 411 Y HA -0.184 4.367 4.550 0.001 0.000 0.289 411 Y C 2.528 178.369 175.900 -0.099 0.000 1.152 411 Y CA 1.696 59.740 58.100 -0.093 0.000 1.258 411 Y CB -0.520 37.871 38.460 -0.114 0.000 0.979 411 Y HN 0.253 nan 8.280 nan 0.000 0.549 412 T N -0.896 113.676 114.554 0.030 0.000 2.896 412 T HA -0.090 4.261 4.350 0.001 0.000 0.263 412 T C 1.925 176.559 174.700 -0.110 0.000 1.050 412 T CA 1.051 63.123 62.100 -0.047 0.000 1.140 412 T CB 0.033 68.870 68.868 -0.053 0.000 0.877 412 T HN 0.272 nan 8.240 nan 0.000 0.457 413 K N 0.633 120.979 120.400 -0.091 0.000 2.211 413 K HA 0.011 4.332 4.320 0.001 0.000 0.203 413 K C 2.327 178.851 176.600 -0.127 0.000 1.050 413 K CA 0.877 57.096 56.287 -0.112 0.000 0.945 413 K CB 0.034 32.494 32.500 -0.067 0.000 0.732 413 K HN 0.285 nan 8.250 nan 0.000 0.451 414 K N 0.610 120.936 120.400 -0.123 0.000 2.026 414 K HA -0.082 4.239 4.320 0.001 0.000 0.208 414 K C 0.952 177.478 176.600 -0.123 0.000 1.048 414 K CA 1.337 57.542 56.287 -0.137 0.000 0.929 414 K CB 0.226 32.599 32.500 -0.212 0.000 0.713 414 K HN 0.054 nan 8.250 nan 0.000 0.439 415 V N -2.136 117.704 119.914 -0.124 0.000 2.554 415 V HA 0.226 4.347 4.120 0.001 0.000 0.258 415 V C -2.678 173.321 176.094 -0.158 0.000 0.919 415 V CA -1.512 60.720 62.300 -0.113 0.000 0.910 415 V CB 1.186 32.973 31.823 -0.060 0.000 1.100 415 V HN -0.090 nan 8.190 nan 0.000 0.491 416 P HA -0.113 nan 4.420 nan 0.000 0.219 416 P C 1.387 178.548 177.300 -0.232 0.000 1.146 416 P CA 1.345 64.160 63.100 -0.474 0.000 0.808 416 P CB 0.187 31.058 31.700 -1.382 0.000 0.779 417 Q N -1.005 118.734 119.800 -0.102 0.000 2.508 417 Q HA -0.017 4.324 4.340 0.001 0.000 0.214 417 Q C 0.580 176.628 176.000 0.080 0.000 0.979 417 Q CA 0.445 56.294 55.803 0.077 0.000 0.911 417 Q CB -0.737 28.070 28.738 0.116 0.000 0.969 417 Q HN 0.153 nan 8.270 nan 0.000 0.504 418 V N 0.324 120.264 119.914 0.042 0.000 3.003 418 V HA 0.064 4.185 4.120 0.001 0.000 0.305 418 V C 0.494 176.620 176.094 0.053 0.000 1.078 418 V CA -0.679 61.666 62.300 0.075 0.000 1.083 418 V CB 1.585 33.437 31.823 0.050 0.000 1.039 418 V HN 0.119 nan 8.190 nan 0.000 0.481 419 S N 1.899 117.634 115.700 0.059 0.000 2.498 419 S HA 0.003 4.473 4.470 0.001 0.000 0.281 419 S C 1.363 175.970 174.600 0.012 0.000 1.265 419 S CA 0.173 58.392 58.200 0.032 0.000 1.071 419 S CB 0.516 63.731 63.200 0.025 0.000 0.894 419 S HN 0.857 nan 8.310 nan 0.000 0.491 420 T N 7.503 122.059 114.554 0.004 0.000 2.635 420 T HA -0.070 4.281 4.350 0.001 0.000 0.267 420 T C -0.968 173.720 174.700 -0.020 0.000 1.040 420 T CA 1.865 63.956 62.100 -0.014 0.000 1.156 420 T CB -1.256 67.600 68.868 -0.021 0.000 0.863 420 T HN 0.604 nan 8.240 nan 0.000 0.430 421 P HA -0.058 nan 4.420 nan 0.000 0.218 421 P C 1.392 178.680 177.300 -0.020 0.000 1.146 421 P CA 1.188 64.277 63.100 -0.018 0.000 0.813 421 P CB -0.210 31.482 31.700 -0.013 0.000 0.778 422 T N -0.754 113.791 114.554 -0.015 0.000 2.735 422 T HA -0.020 4.330 4.350 0.001 0.000 0.256 422 T C 1.668 176.349 174.700 -0.033 0.000 1.042 422 T CA 0.884 62.974 62.100 -0.016 0.000 1.147 422 T CB -0.908 67.963 68.868 0.006 0.000 0.865 422 T HN -0.028 nan 8.240 nan 0.000 0.421 423 L N 1.262 122.467 121.223 -0.030 0.000 2.089 423 L HA -0.147 4.193 4.340 0.001 0.000 0.213 423 L C 2.573 179.399 176.870 -0.073 0.000 1.079 423 L CA 1.195 56.006 54.840 -0.048 0.000 0.758 423 L CB -1.028 41.007 42.059 -0.039 0.000 0.891 423 L HN 0.138 nan 8.230 nan 0.000 0.433 424 V N -0.562 119.315 119.914 -0.063 0.000 2.270 424 V HA -0.281 3.839 4.120 0.001 0.000 0.245 424 V C 2.560 178.613 176.094 -0.068 0.000 1.043 424 V CA 1.834 64.092 62.300 -0.071 0.000 1.014 424 V CB -0.643 31.149 31.823 -0.052 0.000 0.645 424 V HN 0.511 nan 8.190 nan 0.000 0.447 425 E N 0.741 120.909 120.200 -0.053 0.000 2.086 425 E HA -0.232 4.118 4.350 0.001 0.000 0.200 425 E C 1.918 178.478 176.600 -0.067 0.000 1.012 425 E CA 2.398 58.769 56.400 -0.049 0.000 0.812 425 E CB -0.516 29.158 29.700 -0.042 0.000 0.743 425 E HN 0.340 nan 8.360 nan 0.000 0.453 426 V N -0.039 119.823 119.914 -0.088 0.000 2.407 426 V HA -0.142 3.979 4.120 0.001 0.000 0.245 426 V C 2.412 178.408 176.094 -0.163 0.000 1.041 426 V CA 1.625 63.852 62.300 -0.122 0.000 1.040 426 V CB -0.466 31.275 31.823 -0.137 0.000 0.671 426 V HN 0.267 nan 8.190 nan 0.000 0.455 427 S N -0.193 115.399 115.700 -0.180 0.000 2.356 427 S HA -0.197 4.274 4.470 0.001 0.000 0.223 427 S C 2.080 176.575 174.600 -0.175 0.000 1.032 427 S CA 1.479 59.537 58.200 -0.237 0.000 1.005 427 S CB -0.321 62.746 63.200 -0.221 0.000 0.867 427 S HN 0.486 nan 8.310 nan 0.000 0.449 428 R N 1.431 121.859 120.500 -0.119 0.000 2.094 428 R HA -0.101 4.240 4.340 0.001 0.000 0.239 428 R C 2.077 178.371 176.300 -0.010 0.000 1.137 428 R CA 1.632 57.693 56.100 -0.067 0.000 0.943 428 R CB -0.589 29.687 30.300 -0.041 0.000 0.850 428 R HN 0.367 nan 8.270 nan 0.000 0.433 429 N N 0.870 119.562 118.700 -0.013 0.000 2.104 429 N HA -0.142 4.599 4.740 0.001 0.000 0.190 429 N C 1.948 177.507 175.510 0.082 0.000 1.024 429 N CA 1.084 54.159 53.050 0.042 0.000 0.853 429 N CB -0.306 38.179 38.487 -0.003 0.000 1.008 429 N HN 0.213 nan 8.380 nan 0.000 0.424 430 L N 0.195 121.415 121.223 -0.006 0.000 2.042 430 L HA -0.130 4.211 4.340 0.001 0.000 0.210 430 L C 2.301 179.268 176.870 0.163 0.000 1.076 430 L CA 1.491 56.338 54.840 0.012 0.000 0.749 430 L CB -0.905 41.050 42.059 -0.174 0.000 0.893 430 L HN 0.236 nan 8.230 nan 0.000 0.432 431 G N -0.670 108.221 108.800 0.151 0.000 2.598 431 G HA2 -0.167 3.794 3.960 0.001 0.000 0.215 431 G HA3 -0.167 3.794 3.960 0.001 0.000 0.215 431 G C 1.636 176.771 174.900 0.391 0.000 1.131 431 G CA 0.152 45.487 45.100 0.393 0.000 0.785 431 G HN 0.314 nan 8.290 nan 0.000 0.539 432 K N 0.006 120.551 120.400 0.242 0.000 2.361 432 K HA 0.130 4.451 4.320 0.001 0.000 0.196 432 K C 2.333 178.990 176.600 0.095 0.000 1.039 432 K CA 0.095 56.502 56.287 0.199 0.000 1.001 432 K CB 0.283 32.890 32.500 0.179 0.000 0.795 432 K HN 0.232 nan 8.250 nan 0.000 0.495 433 V N 0.805 120.782 119.914 0.106 0.000 2.244 433 V HA -0.163 3.958 4.120 0.001 0.000 0.244 433 V C 2.419 178.339 176.094 -0.289 0.000 1.042 433 V CA 2.224 64.453 62.300 -0.117 0.000 1.006 433 V CB -1.173 30.696 31.823 0.077 0.000 0.641 433 V HN 0.411 nan 8.190 nan 0.000 0.446 434 G N -0.087 108.558 108.800 -0.258 0.000 2.545 434 G HA2 -0.323 3.638 3.960 0.001 0.000 0.222 434 G HA3 -0.323 3.638 3.960 0.001 0.000 0.222 434 G C 1.754 175.909 174.900 -1.242 0.000 1.126 434 G CA 1.599 46.183 45.100 -0.859 0.000 0.754 434 G HN 0.508 nan 8.290 nan 0.000 0.583 435 S N 0.945 116.201 115.700 -0.740 0.000 2.398 435 S HA -0.120 4.351 4.470 0.001 0.000 0.220 435 S C 1.748 176.139 174.600 -0.348 0.000 1.038 435 S CA 1.673 59.667 58.200 -0.344 0.000 1.080 435 S CB -0.277 62.947 63.200 0.040 0.000 1.039 435 S HN 0.738 nan 8.310 nan 0.000 0.419 436 K N 0.228 120.421 120.400 -0.345 0.000 3.277 436 K HA 0.338 4.658 4.320 0.001 0.000 0.280 436 K C -0.012 176.266 176.600 -0.537 0.000 1.182 436 K CA 0.032 56.094 56.287 -0.375 0.000 1.219 436 K CB -0.343 31.925 32.500 -0.387 0.000 1.373 436 K HN 0.281 nan 8.250 nan 0.000 0.392 437 c N -1.597 116.698 118.600 -0.508 0.000 4.455 437 c HA 0.016 4.587 4.570 0.001 0.000 0.479 437 c C 1.900 175.775 174.090 -0.359 0.000 0.985 437 c CA -0.308 55.708 56.329 -0.521 0.000 2.414 437 c CB -0.218 42.040 42.510 -0.420 0.000 3.106 437 c HN 0.792 nan 8.230 nan 0.000 0.384 438 c N 2.065 120.421 118.600 -0.407 0.000 2.485 438 c HA -0.006 4.564 4.570 0.001 0.000 0.283 438 c C 2.248 176.220 174.090 -0.195 0.000 1.478 438 c CA 1.212 57.342 56.329 -0.331 0.000 1.741 438 c CB -1.828 40.368 42.510 -0.523 0.000 1.675 438 c HN 0.619 nan 8.230 nan 0.000 0.573 439 K N -0.783 119.535 120.400 -0.137 0.000 2.168 439 K HA 0.058 4.379 4.320 0.001 0.000 0.201 439 K C 0.627 177.275 176.600 0.081 0.000 1.049 439 K CA 0.276 56.555 56.287 -0.015 0.000 0.974 439 K CB -0.120 32.394 32.500 0.022 0.000 0.792 439 K HN 0.646 nan 8.250 nan 0.000 0.463 440 H N 1.718 120.728 119.070 -0.099 0.000 2.895 440 H HA 0.001 4.557 4.556 0.001 0.000 0.371 440 H C -2.022 173.268 175.328 -0.063 0.000 1.219 440 H CA -1.434 54.571 56.048 -0.072 0.000 1.431 440 H CB 0.028 29.747 29.762 -0.072 0.000 1.414 440 H HN -0.014 nan 8.280 nan 0.000 0.617 441 P HA -0.071 nan 4.420 nan 0.000 0.285 441 P C 0.818 178.131 177.300 0.021 0.000 1.282 441 P CA -0.137 62.971 63.100 0.013 0.000 0.778 441 P CB 0.669 32.364 31.700 -0.008 0.000 1.222 442 E N -0.588 119.617 120.200 0.008 0.000 2.107 442 E HA -0.095 4.256 4.350 0.001 0.000 0.191 442 E C 1.865 178.474 176.600 0.015 0.000 0.982 442 E CA 1.409 57.813 56.400 0.006 0.000 0.809 442 E CB -0.826 28.876 29.700 0.005 0.000 0.756 442 E HN 0.397 nan 8.360 nan 0.000 0.459 443 A N 1.374 124.207 122.820 0.022 0.000 1.872 443 A HA -0.081 4.240 4.320 0.001 0.000 0.214 443 A C 1.463 179.072 177.584 0.041 0.000 1.187 443 A CA 0.888 52.946 52.037 0.034 0.000 0.614 443 A CB -0.142 18.875 19.000 0.028 0.000 0.826 443 A HN -0.035 nan 8.150 nan 0.000 0.442 444 K N -0.285 120.144 120.400 0.049 0.000 2.751 444 K HA 0.342 4.663 4.320 0.001 0.000 0.252 444 K C 0.628 177.281 176.600 0.089 0.000 1.277 444 K CA 0.165 56.502 56.287 0.083 0.000 1.226 444 K CB -0.023 32.547 32.500 0.116 0.000 1.658 444 K HN 0.429 nan 8.250 nan 0.000 0.303 445 R N -0.375 120.141 120.500 0.027 0.000 2.580 445 R HA 0.215 4.556 4.340 0.001 0.000 0.285 445 R C 1.276 177.555 176.300 -0.034 0.000 0.947 445 R CA 0.022 56.108 56.100 -0.025 0.000 1.102 445 R CB 0.177 30.456 30.300 -0.034 0.000 1.696 445 R HN 0.239 nan 8.270 nan 0.000 0.506 446 M N 1.208 120.797 119.600 -0.018 0.000 2.123 446 M HA 0.081 4.561 4.480 0.001 0.000 0.263 446 M C -1.141 175.145 176.300 -0.024 0.000 1.069 446 M CA 1.714 56.992 55.300 -0.037 0.000 1.133 446 M CB -0.558 32.014 32.600 -0.046 0.000 1.356 446 M HN -0.063 nan 8.290 nan 0.000 0.415 447 P HA -0.007 nan 4.420 nan 0.000 0.217 447 P C 1.911 179.222 177.300 0.018 0.000 1.154 447 P CA 0.850 63.955 63.100 0.008 0.000 0.841 447 P CB -0.310 31.398 31.700 0.013 0.000 0.790 448 c N 0.322 118.923 118.600 0.002 0.000 2.385 448 c HA -0.190 4.381 4.570 0.001 0.000 0.275 448 c C 2.781 176.860 174.090 -0.019 0.000 1.207 448 c CA 2.020 58.329 56.329 -0.033 0.000 1.760 448 c CB -1.622 40.802 42.510 -0.143 0.000 2.051 448 c HN 0.220 nan 8.230 nan 0.000 0.467 449 A N -0.197 122.602 122.820 -0.035 0.000 1.832 449 A HA -0.128 4.193 4.320 0.001 0.000 0.214 449 A C 2.046 179.658 177.584 0.046 0.000 1.200 449 A CA 1.925 53.958 52.037 -0.007 0.000 0.610 449 A CB -1.099 17.882 19.000 -0.032 0.000 0.842 449 A HN 0.665 nan 8.150 nan 0.000 0.444 450 E N 0.325 120.540 120.200 0.024 0.000 2.209 450 E HA -0.186 4.164 4.350 0.001 0.000 0.196 450 E C 1.286 177.919 176.600 0.055 0.000 0.993 450 E CA 1.730 58.147 56.400 0.029 0.000 0.819 450 E CB -0.291 29.409 29.700 0.001 0.000 0.745 450 E HN 0.616 nan 8.360 nan 0.000 0.477 451 D N -1.186 119.258 120.400 0.074 0.000 2.087 451 D HA -0.139 4.502 4.640 0.001 0.000 0.201 451 D C 1.427 177.793 176.300 0.110 0.000 0.980 451 D CA 1.231 55.292 54.000 0.103 0.000 0.849 451 D CB -0.547 40.324 40.800 0.119 0.000 1.001 451 D HN 0.227 nan 8.370 nan 0.000 0.452 452 Y N 0.779 121.082 120.300 0.005 0.000 2.365 452 Y HA -0.136 4.414 4.550 0.001 0.000 0.287 452 Y C 1.956 177.850 175.900 -0.009 0.000 1.162 452 Y CA 0.962 59.059 58.100 -0.004 0.000 1.260 452 Y CB -0.019 38.424 38.460 -0.029 0.000 0.976 452 Y HN 0.017 nan 8.280 nan 0.000 0.548 453 L N -1.561 119.729 121.223 0.112 0.000 2.084 453 L HA -0.161 4.180 4.340 0.001 0.000 0.202 453 L C 2.335 179.199 176.870 -0.009 0.000 1.074 453 L CA 1.428 56.299 54.840 0.052 0.000 0.757 453 L CB -0.471 41.625 42.059 0.062 0.000 0.918 453 L HN -0.010 nan 8.230 nan 0.000 0.444 454 S N -0.608 115.097 115.700 0.009 0.000 2.465 454 S HA -0.136 4.335 4.470 0.001 0.000 0.241 454 S C 1.756 176.338 174.600 -0.031 0.000 1.000 454 S CA 1.114 59.317 58.200 0.005 0.000 0.964 454 S CB -0.170 63.048 63.200 0.029 0.000 0.763 454 S HN 0.308 nan 8.310 nan 0.000 0.512 455 V N 0.740 120.606 119.914 -0.079 0.000 2.407 455 V HA -0.063 4.058 4.120 0.001 0.000 0.245 455 V C 2.213 178.221 176.094 -0.143 0.000 1.041 455 V CA 1.142 63.364 62.300 -0.129 0.000 1.040 455 V CB -0.653 31.034 31.823 -0.228 0.000 0.671 455 V HN 0.366 nan 8.190 nan 0.000 0.455 456 V N -0.292 119.525 119.914 -0.162 0.000 2.548 456 V HA -0.157 3.964 4.120 0.001 0.000 0.249 456 V C 2.268 178.285 176.094 -0.129 0.000 1.055 456 V CA 1.493 63.706 62.300 -0.144 0.000 1.065 456 V CB -0.474 31.275 31.823 -0.123 0.000 0.681 456 V HN 0.419 nan 8.190 nan 0.000 0.462 457 L N 0.251 121.407 121.223 -0.111 0.000 2.156 457 L HA -0.120 4.220 4.340 0.001 0.000 0.208 457 L C 2.453 179.290 176.870 -0.056 0.000 1.095 457 L CA 1.538 56.301 54.840 -0.129 0.000 0.770 457 L CB -0.513 41.508 42.059 -0.063 0.000 0.914 457 L HN 0.430 nan 8.230 nan 0.000 0.439 458 N N 0.920 119.602 118.700 -0.030 0.000 2.084 458 N HA -0.252 4.489 4.740 0.001 0.000 0.190 458 N C 1.599 177.097 175.510 -0.019 0.000 1.030 458 N CA 1.358 54.406 53.050 -0.003 0.000 0.849 458 N CB -0.078 38.400 38.487 -0.015 0.000 1.012 458 N HN 0.411 nan 8.380 nan 0.000 0.423 459 Q N -0.302 119.467 119.800 -0.053 0.000 2.307 459 Q HA 0.029 4.370 4.340 0.001 0.000 0.216 459 Q C 0.911 176.880 176.000 -0.051 0.000 0.931 459 Q CA 0.312 56.082 55.803 -0.055 0.000 0.953 459 Q CB 0.081 28.773 28.738 -0.077 0.000 1.006 459 Q HN 0.418 nan 8.270 nan 0.000 0.472 460 L N -1.687 119.509 121.223 -0.044 0.000 2.653 460 L HA 0.248 4.589 4.340 0.001 0.000 0.230 460 L C 1.576 178.473 176.870 0.045 0.000 1.055 460 L CA 0.808 55.625 54.840 -0.038 0.000 0.880 460 L CB -0.082 41.894 42.059 -0.138 0.000 1.195 460 L HN 0.279 nan 8.230 nan 0.000 0.492 461 c N -0.328 118.312 118.600 0.067 0.000 2.457 461 c HA -0.009 4.562 4.570 0.001 0.000 0.278 461 c C 2.782 176.931 174.090 0.099 0.000 1.309 461 c CA 0.862 57.270 56.329 0.131 0.000 1.735 461 c CB -0.796 41.801 42.510 0.146 0.000 1.992 461 c HN 0.568 nan 8.230 nan 0.000 0.493 462 V N -0.262 119.680 119.914 0.047 0.000 2.626 462 V HA -0.097 4.024 4.120 0.001 0.000 0.252 462 V C 1.922 178.024 176.094 0.013 0.000 1.067 462 V CA 1.852 64.161 62.300 0.016 0.000 1.081 462 V CB -0.849 30.965 31.823 -0.015 0.000 0.686 462 V HN 0.571 nan 8.190 nan 0.000 0.468 463 L N -0.232 121.008 121.223 0.028 0.000 2.102 463 L HA 0.031 4.372 4.340 0.001 0.000 0.202 463 L C 2.777 179.679 176.870 0.052 0.000 1.076 463 L CA 1.977 56.832 54.840 0.025 0.000 0.761 463 L CB -0.945 41.125 42.059 0.019 0.000 0.921 463 L HN 0.395 nan 8.230 nan 0.000 0.444 464 H N 0.344 119.418 119.070 0.007 0.000 2.389 464 H HA -0.187 4.369 4.556 0.001 0.000 0.299 464 H C 2.207 177.547 175.328 0.020 0.000 1.081 464 H CA 1.803 57.863 56.048 0.021 0.000 1.345 464 H CB 0.189 29.979 29.762 0.046 0.000 1.393 464 H HN 0.262 nan 8.280 nan 0.000 0.520 465 E N 0.535 120.757 120.200 0.036 0.000 2.118 465 E HA -0.262 4.088 4.350 0.001 0.000 0.195 465 E C 2.062 178.612 176.600 -0.083 0.000 0.992 465 E CA 1.326 57.713 56.400 -0.020 0.000 0.804 465 E CB -0.080 29.635 29.700 0.026 0.000 0.741 465 E HN 0.479 nan 8.360 nan 0.000 0.458 466 K N -0.442 119.917 120.400 -0.068 0.000 2.283 466 K HA -0.050 4.271 4.320 0.001 0.000 0.202 466 K C -0.214 176.330 176.600 -0.094 0.000 1.048 466 K CA 1.409 57.656 56.287 -0.066 0.000 0.948 466 K CB 0.314 32.787 32.500 -0.045 0.000 0.742 466 K HN -0.049 nan 8.250 nan 0.000 0.458 467 T N 2.387 116.847 114.554 -0.157 0.000 3.446 467 T HA 0.225 4.576 4.350 0.001 0.000 0.289 467 T C -2.811 171.687 174.700 -0.337 0.000 1.203 467 T CA -1.240 60.758 62.100 -0.171 0.000 1.645 467 T CB 1.491 70.298 68.868 -0.101 0.000 0.841 467 T HN -0.035 nan 8.240 nan 0.000 0.617 468 P HA 0.112 nan 4.420 nan 0.000 0.261 468 P C 0.978 178.166 177.300 -0.186 0.000 1.203 468 P CA -0.003 62.828 63.100 -0.449 0.000 0.767 468 P CB 0.678 32.276 31.700 -0.169 0.000 0.785 469 V N 0.652 120.536 119.914 -0.051 0.000 3.431 469 V HA 0.263 4.384 4.120 0.001 0.000 0.255 469 V C 0.558 176.762 176.094 0.182 0.000 1.403 469 V CA 0.398 62.758 62.300 0.100 0.000 1.101 469 V CB 0.409 32.297 31.823 0.109 0.000 0.891 469 V HN 0.406 nan 8.190 nan 0.000 0.446 470 S N 0.888 116.786 115.700 0.331 0.000 2.596 470 S HA 0.427 4.898 4.470 0.001 0.000 0.318 470 S C 0.148 174.847 174.600 0.165 0.000 1.097 470 S CA -0.309 57.997 58.200 0.178 0.000 1.080 470 S CB 1.370 64.621 63.200 0.086 0.000 0.991 470 S HN 0.398 nan 8.310 nan 0.000 0.471 471 D N 3.073 123.534 120.400 0.101 0.000 2.264 471 D HA -0.050 4.590 4.640 0.001 0.000 0.208 471 D C 1.268 177.587 176.300 0.032 0.000 0.966 471 D CA 0.888 54.934 54.000 0.076 0.000 0.864 471 D CB 0.113 40.940 40.800 0.046 0.000 0.933 471 D HN 0.603 nan 8.370 nan 0.000 0.499 472 R N -0.384 120.117 120.500 0.001 0.000 2.568 472 R HA 0.286 4.627 4.340 0.001 0.000 0.288 472 R C 0.511 176.756 176.300 -0.091 0.000 1.077 472 R CA 0.105 56.175 56.100 -0.049 0.000 1.102 472 R CB 0.020 30.290 30.300 -0.049 0.000 1.278 472 R HN 0.029 nan 8.270 nan 0.000 0.560 473 V N -1.617 118.239 119.914 -0.096 0.000 3.251 473 V HA -0.003 4.118 4.120 0.001 0.000 0.239 473 V C 1.440 177.480 176.094 -0.090 0.000 1.332 473 V CA 0.923 63.129 62.300 -0.157 0.000 1.224 473 V CB 0.795 32.342 31.823 -0.460 0.000 1.004 473 V HN 0.306 nan 8.190 nan 0.000 0.464 474 T N 0.316 114.887 114.554 0.029 0.000 2.951 474 T HA -0.124 4.226 4.350 0.001 0.000 0.268 474 T C 1.921 176.655 174.700 0.058 0.000 1.073 474 T CA 1.219 63.413 62.100 0.156 0.000 1.134 474 T CB -0.095 68.907 68.868 0.224 0.000 0.884 474 T HN 0.209 nan 8.240 nan 0.000 0.479 475 K N 1.278 121.678 120.400 -0.000 0.000 1.978 475 K HA -0.109 4.212 4.320 0.001 0.000 0.214 475 K C 2.346 178.891 176.600 -0.092 0.000 1.049 475 K CA 1.541 57.804 56.287 -0.039 0.000 0.939 475 K CB -0.954 31.507 32.500 -0.064 0.000 0.721 475 K HN 0.354 nan 8.250 nan 0.000 0.441 476 c N 0.599 119.064 118.600 -0.226 0.000 2.411 476 c HA -0.121 4.450 4.570 0.001 0.000 0.279 476 c C 3.066 177.032 174.090 -0.206 0.000 1.288 476 c CA 0.608 56.684 56.329 -0.423 0.000 1.764 476 c CB -1.194 40.623 42.510 -1.154 0.000 1.974 476 c HN 0.579 nan 8.230 nan 0.000 0.498 477 c N 0.885 119.475 118.600 -0.017 0.000 2.466 477 c HA -0.063 4.508 4.570 0.001 0.000 0.278 477 c C 2.980 177.168 174.090 0.163 0.000 1.288 477 c CA 1.908 58.322 56.329 0.142 0.000 1.722 477 c CB -1.428 41.199 42.510 0.195 0.000 2.017 477 c HN 0.830 nan 8.230 nan 0.000 0.488 478 T N -1.178 113.454 114.554 0.130 0.000 2.866 478 T HA -0.081 4.270 4.350 0.001 0.000 0.250 478 T C 0.841 175.677 174.700 0.226 0.000 1.033 478 T CA 0.439 62.648 62.100 0.181 0.000 1.145 478 T CB -0.617 68.304 68.868 0.089 0.000 0.866 478 T HN 0.560 nan 8.240 nan 0.000 0.434 479 E N 2.732 122.991 120.200 0.098 0.000 2.603 479 E HA 0.112 4.462 4.350 0.001 0.000 0.242 479 E C 0.143 176.770 176.600 0.044 0.000 1.083 479 E CA 0.354 56.792 56.400 0.064 0.000 0.950 479 E CB -0.492 29.202 29.700 -0.010 0.000 0.952 479 E HN 0.545 nan 8.360 nan 0.000 0.498 480 S N 2.555 118.301 115.700 0.076 0.000 3.573 480 S HA -0.262 4.208 4.470 0.001 0.000 0.659 480 S C 0.220 174.654 174.600 -0.277 0.000 2.275 480 S CA 0.687 58.831 58.200 -0.093 0.000 2.423 480 S CB -0.543 62.609 63.200 -0.080 0.000 0.325 480 S HN 0.647 nan 8.310 nan 0.000 1.663 481 L N 0.962 121.941 121.223 -0.408 0.000 2.638 481 L HA 0.448 4.789 4.340 0.001 0.000 0.195 481 L C 1.818 178.583 176.870 -0.176 0.000 1.065 481 L CA 1.173 55.787 54.840 -0.377 0.000 0.859 481 L CB -0.336 41.362 42.059 -0.602 0.000 1.269 481 L HN 0.654 nan 8.230 nan 0.000 0.484 482 V N 0.280 120.097 119.914 -0.162 0.000 3.383 482 V HA -0.081 4.040 4.120 0.001 0.000 0.272 482 V C 0.666 176.711 176.094 -0.081 0.000 1.181 482 V CA 1.216 63.458 62.300 -0.097 0.000 1.171 482 V CB -1.535 30.230 31.823 -0.097 0.000 0.800 482 V HN 0.447 nan 8.190 nan 0.000 0.515 483 N N -0.445 118.202 118.700 -0.089 0.000 2.389 483 N HA 0.218 4.958 4.740 0.001 0.000 0.260 483 N C 1.453 176.916 175.510 -0.078 0.000 1.191 483 N CA -0.308 52.696 53.050 -0.076 0.000 0.885 483 N CB 0.453 38.892 38.487 -0.080 0.000 1.162 483 N HN 0.253 nan 8.380 nan 0.000 0.512 484 R N 0.886 121.369 120.500 -0.029 0.000 2.048 484 R HA 0.171 4.512 4.340 0.001 0.000 0.221 484 R C 2.240 178.640 176.300 0.166 0.000 1.174 484 R CA 0.836 56.964 56.100 0.047 0.000 0.971 484 R CB -0.067 30.317 30.300 0.139 0.000 0.863 484 R HN 0.060 nan 8.270 nan 0.000 0.439 485 R N 0.333 120.934 120.500 0.169 0.000 2.091 485 R HA -0.076 4.265 4.340 0.001 0.000 0.238 485 R C -0.982 175.385 176.300 0.112 0.000 1.136 485 R CA 1.651 57.859 56.100 0.181 0.000 0.959 485 R CB -1.088 29.271 30.300 0.099 0.000 0.856 485 R HN 0.209 nan 8.270 nan 0.000 0.437 486 P HA -0.063 nan 4.420 nan 0.000 0.219 486 P C 1.463 178.740 177.300 -0.038 0.000 1.150 486 P CA 0.800 63.896 63.100 -0.007 0.000 0.814 486 P CB -0.178 31.502 31.700 -0.034 0.000 0.787 487 c N -2.040 116.502 118.600 -0.095 0.000 2.486 487 c HA -0.012 4.558 4.570 0.001 0.000 0.279 487 c C 2.361 176.312 174.090 -0.232 0.000 1.302 487 c CA 0.406 56.606 56.329 -0.215 0.000 1.720 487 c CB -1.994 40.298 42.510 -0.364 0.000 2.030 487 c HN 0.032 nan 8.230 nan 0.000 0.490 488 F N 1.547 121.469 119.950 -0.047 0.000 2.163 488 F HA -0.007 4.520 4.527 0.001 0.000 0.297 488 F C 2.755 178.481 175.800 -0.122 0.000 1.094 488 F CA 1.789 59.742 58.000 -0.079 0.000 1.290 488 F CB -0.908 38.090 39.000 -0.004 0.000 1.017 488 F HN 0.059 nan 8.300 nan 0.000 0.483 489 S N -0.257 115.521 115.700 0.130 0.000 2.537 489 S HA -0.060 4.410 4.470 0.001 0.000 0.240 489 S C 2.042 176.634 174.600 -0.012 0.000 0.981 489 S CA 0.744 58.975 58.200 0.052 0.000 0.948 489 S CB -0.477 62.767 63.200 0.073 0.000 0.759 489 S HN 0.361 nan 8.310 nan 0.000 0.531 490 A N 0.819 123.618 122.820 -0.034 0.000 1.973 490 A HA 0.354 4.675 4.320 0.001 0.000 0.210 490 A C 0.757 178.297 177.584 -0.074 0.000 1.200 490 A CA -0.137 51.867 52.037 -0.054 0.000 0.707 490 A CB -0.252 18.711 19.000 -0.063 0.000 0.862 490 A HN 0.400 nan 8.150 nan 0.000 0.461 491 L N 1.853 123.020 121.223 -0.094 0.000 2.737 491 L HA -0.077 4.264 4.340 0.001 0.000 0.279 491 L C 0.749 177.555 176.870 -0.106 0.000 1.200 491 L CA -0.073 54.704 54.840 -0.105 0.000 0.952 491 L CB -0.149 41.842 42.059 -0.114 0.000 1.240 491 L HN 0.475 nan 8.230 nan 0.000 0.486 492 E N 3.037 123.189 120.200 -0.079 0.000 2.622 492 E HA 0.241 4.592 4.350 0.001 0.000 0.255 492 E C 0.463 177.019 176.600 -0.073 0.000 1.313 492 E CA -0.399 55.961 56.400 -0.067 0.000 1.011 492 E CB 0.938 30.611 29.700 -0.045 0.000 1.173 492 E HN 0.274 nan 8.360 nan 0.000 0.601 493 V N -0.788 119.091 119.914 -0.058 0.000 2.747 493 V HA 0.117 4.238 4.120 0.001 0.000 0.147 493 V C 0.207 176.272 176.094 -0.047 0.000 0.734 493 V CA 0.963 63.229 62.300 -0.056 0.000 1.291 493 V CB -0.425 31.376 31.823 -0.036 0.000 0.874 493 V HN 0.742 nan 8.190 nan 0.000 0.384 494 D N -2.508 117.877 120.400 -0.024 0.000 2.492 494 D HA 0.263 4.904 4.640 0.001 0.000 0.229 494 D C 0.114 176.440 176.300 0.042 0.000 1.345 494 D CA -0.298 53.703 54.000 0.003 0.000 0.912 494 D CB 0.451 41.244 40.800 -0.012 0.000 1.526 494 D HN 0.504 nan 8.370 nan 0.000 0.505 495 E N -0.270 119.949 120.200 0.032 0.000 2.409 495 E HA -0.019 4.332 4.350 0.001 0.000 0.198 495 E C 1.669 178.300 176.600 0.052 0.000 1.024 495 E CA 1.161 57.583 56.400 0.038 0.000 0.861 495 E CB 0.180 29.892 29.700 0.019 0.000 0.788 495 E HN 0.512 nan 8.360 nan 0.000 0.521 496 T N -2.287 112.307 114.554 0.066 0.000 3.163 496 T HA 0.042 4.392 4.350 0.001 0.000 0.252 496 T C 0.092 174.853 174.700 0.102 0.000 1.056 496 T CA -0.490 61.647 62.100 0.062 0.000 0.947 496 T CB -0.397 68.499 68.868 0.048 0.000 1.016 496 T HN 0.008 nan 8.240 nan 0.000 0.554 497 Y N 1.647 121.941 120.300 -0.011 0.000 2.304 497 Y HA 0.513 5.063 4.550 0.001 0.000 0.328 497 Y C -0.413 175.478 175.900 -0.014 0.000 1.123 497 Y CA -1.695 56.400 58.100 -0.010 0.000 1.218 497 Y CB 1.101 39.555 38.460 -0.010 0.000 1.207 497 Y HN -0.032 nan 8.280 nan 0.000 0.495 498 V N 9.259 128.722 119.914 -0.753 0.000 2.320 498 V HA 0.230 4.351 4.120 0.001 0.000 0.265 498 V C -2.123 173.429 176.094 -0.902 0.000 1.048 498 V CA -2.021 59.914 62.300 -0.608 0.000 0.865 498 V CB 0.361 31.965 31.823 -0.365 0.000 1.043 498 V HN 0.735 nan 8.190 nan 0.000 0.474 499 P HA -0.077 nan 4.420 nan 0.000 0.253 499 P C 0.162 177.344 177.300 -0.196 0.000 1.159 499 P CA 0.204 63.147 63.100 -0.262 0.000 0.779 499 P CB 0.156 31.742 31.700 -0.190 0.000 0.745 500 K N 4.552 124.924 120.400 -0.046 0.000 2.477 500 K HA -0.120 4.201 4.320 0.001 0.000 0.275 500 K C 0.269 176.914 176.600 0.076 0.000 1.054 500 K CA 0.199 56.518 56.287 0.052 0.000 1.135 500 K CB 0.223 32.829 32.500 0.176 0.000 0.854 500 K HN 0.389 nan 8.250 nan 0.000 0.484 501 E N 3.806 124.046 120.200 0.067 0.000 2.481 501 E HA -0.172 4.179 4.350 0.001 0.000 0.263 501 E C 0.879 177.632 176.600 0.255 0.000 0.992 501 E CA 0.206 56.681 56.400 0.123 0.000 0.938 501 E CB 0.189 29.946 29.700 0.095 0.000 0.933 501 E HN 0.501 nan 8.360 nan 0.000 0.453 502 F N 3.234 123.291 119.950 0.179 0.000 2.155 502 F HA -0.361 4.166 4.527 0.001 0.000 0.305 502 F C 1.145 176.999 175.800 0.091 0.000 1.291 502 F CA 2.514 60.614 58.000 0.165 0.000 1.241 502 F CB -0.478 38.563 39.000 0.067 0.000 0.919 502 F HN 0.763 nan 8.300 nan 0.000 0.566 503 N N -1.571 117.478 118.700 0.583 0.000 2.408 503 N HA -0.153 4.587 4.740 0.001 0.000 0.293 503 N C -0.331 175.479 175.510 0.500 0.000 1.433 503 N CA 0.678 53.956 53.050 0.380 0.000 0.637 503 N CB -0.761 37.875 38.487 0.248 0.000 0.941 503 N HN 0.691 nan 8.380 nan 0.000 0.499 504 A N 3.160 126.231 122.820 0.419 0.000 2.251 504 A HA 0.067 4.388 4.320 0.001 0.000 0.209 504 A C 1.609 179.389 177.584 0.327 0.000 1.187 504 A CA 0.953 53.258 52.037 0.447 0.000 0.823 504 A CB -0.172 19.001 19.000 0.289 0.000 0.846 504 A HN 0.792 nan 8.150 nan 0.000 0.486 505 E N -0.357 119.973 120.200 0.217 0.000 2.338 505 E HA -0.115 4.236 4.350 0.001 0.000 0.197 505 E C 1.323 177.954 176.600 0.052 0.000 1.007 505 E CA 1.478 57.949 56.400 0.119 0.000 0.849 505 E CB -0.007 29.748 29.700 0.091 0.000 0.774 505 E HN 0.496 nan 8.360 nan 0.000 0.506 506 T N -0.538 114.061 114.554 0.075 0.000 3.054 506 T HA 0.030 4.380 4.350 0.001 0.000 0.259 506 T C 0.467 174.902 174.700 -0.441 0.000 1.092 506 T CA 0.355 62.351 62.100 -0.173 0.000 1.121 506 T CB -0.035 68.703 68.868 -0.217 0.000 0.912 506 T HN 0.159 nan 8.240 nan 0.000 0.489 507 F N 1.912 121.738 119.950 -0.207 0.000 2.660 507 F HA 0.269 4.797 4.527 0.001 0.000 0.297 507 F C 0.699 176.338 175.800 -0.270 0.000 1.132 507 F CA -0.272 57.600 58.000 -0.213 0.000 1.372 507 F CB 0.011 38.996 39.000 -0.025 0.000 1.003 507 F HN -0.119 nan 8.300 nan 0.000 0.524 508 T N 0.595 114.945 114.554 -0.339 0.000 2.823 508 T HA 0.545 4.896 4.350 0.001 0.000 0.279 508 T C -0.725 173.538 174.700 -0.729 0.000 0.998 508 T CA -0.250 61.686 62.100 -0.273 0.000 0.994 508 T CB 1.201 70.026 68.868 -0.070 0.000 0.960 508 T HN -0.163 nan 8.240 nan 0.000 0.448 509 F N 1.333 121.199 119.950 -0.140 0.000 2.563 509 F HA 0.613 5.140 4.527 0.001 0.000 0.316 509 F C 0.301 175.811 175.800 -0.483 0.000 1.076 509 F CA -1.031 56.853 58.000 -0.194 0.000 0.921 509 F CB 1.793 41.007 39.000 0.357 0.000 1.209 509 F HN 0.597 nan 8.300 nan 0.000 0.462 510 H N -0.484 118.565 119.070 -0.034 0.000 2.865 510 H HA 0.578 5.135 4.556 0.001 0.000 0.372 510 H C 0.573 175.371 175.328 -0.882 0.000 1.173 510 H CA -0.602 55.208 56.048 -0.395 0.000 1.147 510 H CB 1.520 31.196 29.762 -0.142 0.000 1.805 510 H HN 0.679 nan 8.280 nan 0.000 0.553 511 A N 1.188 123.515 122.820 -0.821 0.000 2.001 511 A HA -0.369 3.952 4.320 0.001 0.000 0.224 511 A C 1.953 179.331 177.584 -0.344 0.000 1.203 511 A CA 2.458 54.109 52.037 -0.644 0.000 0.667 511 A CB -0.986 17.896 19.000 -0.196 0.000 0.823 511 A HN 0.986 nan 8.150 nan 0.000 0.473 512 D N 0.369 120.653 120.400 -0.194 0.000 2.239 512 D HA -0.222 4.419 4.640 0.001 0.000 0.202 512 D C 1.668 177.932 176.300 -0.059 0.000 0.993 512 D CA 1.707 55.658 54.000 -0.083 0.000 0.874 512 D CB -0.573 40.209 40.800 -0.030 0.000 0.922 512 D HN 0.501 nan 8.370 nan 0.000 0.464 513 I N 1.493 122.010 120.570 -0.089 0.000 2.264 513 I HA -0.258 3.913 4.170 0.001 0.000 0.248 513 I C 2.799 178.913 176.117 -0.005 0.000 1.111 513 I CA 0.597 61.894 61.300 -0.004 0.000 1.382 513 I CB -1.837 36.188 38.000 0.042 0.000 1.060 513 I HN 0.229 nan 8.210 nan 0.000 0.418 514 c N 0.834 119.419 118.600 -0.025 0.000 2.446 514 c HA -0.105 4.466 4.570 0.001 0.000 0.277 514 c C 2.727 176.814 174.090 -0.005 0.000 1.275 514 c CA 1.332 57.662 56.329 0.001 0.000 1.727 514 c CB -1.636 40.889 42.510 0.024 0.000 2.010 514 c HN 0.650 nan 8.230 nan 0.000 0.486 515 T N -1.469 113.079 114.554 -0.011 0.000 3.317 515 T HA 0.215 4.566 4.350 0.001 0.000 0.250 515 T C 0.237 174.938 174.700 0.002 0.000 1.106 515 T CA 0.181 62.278 62.100 -0.005 0.000 0.986 515 T CB -0.487 68.376 68.868 -0.008 0.000 1.010 515 T HN 0.169 nan 8.240 nan 0.000 0.560 516 L N 1.049 122.275 121.223 0.006 0.000 2.569 516 L HA 0.673 5.014 4.340 0.001 0.000 0.247 516 L C 0.681 177.560 176.870 0.015 0.000 1.135 516 L CA -0.544 54.306 54.840 0.015 0.000 0.812 516 L CB 1.464 43.539 42.059 0.027 0.000 1.431 516 L HN 0.277 nan 8.230 nan 0.000 0.499 517 S N -1.023 114.689 115.700 0.021 0.000 2.730 517 S HA 0.251 4.722 4.470 0.001 0.000 0.284 517 S C 0.862 175.475 174.600 0.021 0.000 1.153 517 S CA -0.201 58.010 58.200 0.020 0.000 0.995 517 S CB 1.083 64.297 63.200 0.023 0.000 1.058 517 S HN 0.583 nan 8.310 nan 0.000 0.552 518 E N 1.598 121.808 120.200 0.017 0.000 2.021 518 E HA -0.153 4.198 4.350 0.001 0.000 0.200 518 E C 1.773 178.394 176.600 0.035 0.000 1.015 518 E CA 2.090 58.498 56.400 0.014 0.000 0.824 518 E CB -0.162 29.544 29.700 0.010 0.000 0.762 518 E HN 0.642 nan 8.360 nan 0.000 0.454 519 K N -0.090 120.338 120.400 0.047 0.000 2.002 519 K HA -0.171 4.149 4.320 0.001 0.000 0.209 519 K C 2.137 178.780 176.600 0.072 0.000 1.048 519 K CA 1.650 57.978 56.287 0.068 0.000 0.930 519 K CB -0.288 32.248 32.500 0.060 0.000 0.714 519 K HN 0.405 nan 8.250 nan 0.000 0.438 520 E N 0.823 121.056 120.200 0.055 0.000 2.418 520 E HA -0.181 4.170 4.350 0.001 0.000 0.197 520 E C 1.955 178.597 176.600 0.070 0.000 1.026 520 E CA 0.663 57.096 56.400 0.056 0.000 0.862 520 E CB -0.024 29.701 29.700 0.041 0.000 0.799 520 E HN 0.183 nan 8.360 nan 0.000 0.518 521 R N 0.837 121.378 120.500 0.069 0.000 2.173 521 R HA -0.016 4.325 4.340 0.001 0.000 0.208 521 R C 1.953 178.324 176.300 0.119 0.000 1.035 521 R CA 0.875 57.023 56.100 0.080 0.000 1.004 521 R CB 0.198 30.523 30.300 0.043 0.000 0.917 521 R HN 0.179 nan 8.270 nan 0.000 0.462 522 Q N -0.025 119.854 119.800 0.132 0.000 2.269 522 Q HA 0.041 4.381 4.340 0.001 0.000 0.201 522 Q C 1.912 178.032 176.000 0.199 0.000 0.946 522 Q CA 0.890 56.833 55.803 0.232 0.000 0.877 522 Q CB 0.230 29.161 28.738 0.322 0.000 0.963 522 Q HN 0.377 nan 8.270 nan 0.000 0.472 523 I N 0.767 121.412 120.570 0.126 0.000 2.454 523 I HA -0.249 3.921 4.170 0.001 0.000 0.254 523 I C 1.983 178.146 176.117 0.077 0.000 1.156 523 I CA 0.899 62.246 61.300 0.077 0.000 1.433 523 I CB -0.150 37.883 38.000 0.055 0.000 1.082 523 I HN 0.106 nan 8.210 nan 0.000 0.432 524 K N 1.249 121.720 120.400 0.117 0.000 2.137 524 K HA -0.037 4.283 4.320 0.001 0.000 0.202 524 K C 1.954 178.645 176.600 0.152 0.000 1.052 524 K CA 0.906 57.280 56.287 0.145 0.000 0.961 524 K CB -0.116 32.510 32.500 0.210 0.000 0.741 524 K HN 0.377 nan 8.250 nan 0.000 0.452 525 K N 0.911 121.420 120.400 0.181 0.000 2.148 525 K HA -0.115 4.205 4.320 0.001 0.000 0.204 525 K C 2.169 178.781 176.600 0.021 0.000 1.050 525 K CA 1.098 57.467 56.287 0.137 0.000 0.942 525 K CB 0.004 32.713 32.500 0.348 0.000 0.724 525 K HN 0.216 nan 8.250 nan 0.000 0.446 526 Q N 0.199 120.019 119.800 0.033 0.000 2.163 526 Q HA -0.027 4.314 4.340 0.001 0.000 0.198 526 Q C 2.030 177.996 176.000 -0.057 0.000 0.954 526 Q CA 1.196 56.972 55.803 -0.046 0.000 0.851 526 Q CB 0.012 28.704 28.738 -0.077 0.000 0.928 526 Q HN 0.254 nan 8.270 nan 0.000 0.459 527 T N 1.448 115.984 114.554 -0.030 0.000 2.737 527 T HA -0.213 4.138 4.350 0.001 0.000 0.269 527 T C 1.899 176.542 174.700 -0.095 0.000 1.040 527 T CA 1.368 63.440 62.100 -0.048 0.000 1.142 527 T CB -0.246 68.609 68.868 -0.020 0.000 0.861 527 T HN 0.387 nan 8.240 nan 0.000 0.456 528 A N 1.470 124.229 122.820 -0.101 0.000 1.841 528 A HA 0.008 4.328 4.320 0.001 0.000 0.214 528 A C 2.237 179.705 177.584 -0.193 0.000 1.195 528 A CA 1.355 53.275 52.037 -0.196 0.000 0.611 528 A CB -0.985 17.884 19.000 -0.218 0.000 0.835 528 A HN 0.392 nan 8.150 nan 0.000 0.443 529 L N 0.288 121.425 121.223 -0.143 0.000 2.013 529 L HA -0.168 4.173 4.340 0.001 0.000 0.212 529 L C 2.396 179.226 176.870 -0.067 0.000 1.073 529 L CA 2.156 56.941 54.840 -0.093 0.000 0.753 529 L CB -0.838 41.175 42.059 -0.077 0.000 0.890 529 L HN 0.177 nan 8.230 nan 0.000 0.432 530 V N -0.038 119.831 119.914 -0.076 0.000 2.231 530 V HA -0.311 3.810 4.120 0.001 0.000 0.248 530 V C 2.676 178.746 176.094 -0.039 0.000 1.054 530 V CA 2.114 64.380 62.300 -0.058 0.000 1.015 530 V CB -0.768 31.018 31.823 -0.061 0.000 0.638 530 V HN 0.479 nan 8.190 nan 0.000 0.444 531 E N -0.270 119.884 120.200 -0.076 0.000 2.171 531 E HA -0.234 4.117 4.350 0.001 0.000 0.197 531 E C 2.101 178.729 176.600 0.048 0.000 0.997 531 E CA 1.267 57.628 56.400 -0.065 0.000 0.810 531 E CB -0.443 29.112 29.700 -0.243 0.000 0.738 531 E HN 0.583 nan 8.360 nan 0.000 0.467 532 L N 0.555 121.792 121.223 0.023 0.000 1.955 532 L HA -0.213 4.128 4.340 0.001 0.000 0.213 532 L C 2.402 179.361 176.870 0.147 0.000 1.072 532 L CA 1.354 56.291 54.840 0.162 0.000 0.755 532 L CB -0.376 41.734 42.059 0.086 0.000 0.888 532 L HN -0.025 nan 8.230 nan 0.000 0.432 533 V N 0.244 120.201 119.914 0.073 0.000 2.317 533 V HA -0.346 3.775 4.120 0.001 0.000 0.251 533 V C 2.320 178.468 176.094 0.090 0.000 1.065 533 V CA 2.099 64.434 62.300 0.059 0.000 1.049 533 V CB -0.859 30.967 31.823 0.006 0.000 0.651 533 V HN 0.468 nan 8.190 nan 0.000 0.450 534 K N -0.597 119.865 120.400 0.102 0.000 2.574 534 K HA -0.144 4.176 4.320 0.001 0.000 0.193 534 K C 1.832 178.590 176.600 0.263 0.000 1.035 534 K CA 1.061 57.448 56.287 0.167 0.000 0.982 534 K CB -0.232 32.350 32.500 0.137 0.000 0.795 534 K HN 0.723 nan 8.250 nan 0.000 0.491 535 H N 1.418 120.549 119.070 0.102 0.000 2.476 535 H HA 0.028 4.584 4.556 0.001 0.000 0.292 535 H C 0.121 175.456 175.328 0.013 0.000 1.019 535 H CA 0.807 56.872 56.048 0.028 0.000 1.330 535 H CB 0.494 30.204 29.762 -0.088 0.000 1.451 535 H HN -0.046 nan 8.280 nan 0.000 0.535 536 K N -1.176 119.218 120.400 -0.010 0.000 3.350 536 K HA 0.316 4.636 4.320 0.001 0.000 0.181 536 K C -2.477 174.140 176.600 0.028 0.000 1.064 536 K CA -1.530 54.722 56.287 -0.058 0.000 0.839 536 K CB 0.807 33.302 32.500 -0.007 0.000 0.819 536 K HN 0.037 nan 8.250 nan 0.000 0.523 537 P HA -0.306 nan 4.420 nan 0.000 0.227 537 P C -0.112 177.207 177.300 0.033 0.000 1.141 537 P CA 1.623 64.760 63.100 0.061 0.000 0.964 537 P CB 0.117 31.885 31.700 0.113 0.000 0.784 538 K N -0.691 119.727 120.400 0.030 0.000 3.277 538 K HA 0.257 4.577 4.320 0.001 0.000 0.291 538 K C 0.922 177.532 176.600 0.017 0.000 0.994 538 K CA 0.022 56.320 56.287 0.019 0.000 1.147 538 K CB -0.902 31.608 32.500 0.016 0.000 1.185 538 K HN 0.190 nan 8.250 nan 0.000 0.422 539 A N -0.021 122.811 122.820 0.021 0.000 2.911 539 A HA 0.465 4.786 4.320 0.001 0.000 0.202 539 A C 0.396 177.990 177.584 0.017 0.000 2.026 539 A CA 0.119 52.170 52.037 0.022 0.000 0.923 539 A CB 0.219 19.237 19.000 0.031 0.000 1.859 539 A HN 0.288 nan 8.150 nan 0.000 0.782 540 T N -2.772 111.793 114.554 0.017 0.000 2.982 540 T HA 0.388 4.738 4.350 0.001 0.000 0.321 540 T C 0.089 174.797 174.700 0.014 0.000 1.229 540 T CA -0.370 61.738 62.100 0.014 0.000 1.044 540 T CB 1.591 70.468 68.868 0.014 0.000 1.184 540 T HN 0.515 nan 8.240 nan 0.000 0.477 541 K N 2.060 122.466 120.400 0.011 0.000 2.519 541 K HA 0.018 4.339 4.320 0.001 0.000 0.196 541 K C 1.523 178.132 176.600 0.016 0.000 1.041 541 K CA 1.433 57.726 56.287 0.010 0.000 0.954 541 K CB 0.045 32.549 32.500 0.006 0.000 0.774 541 K HN 0.577 nan 8.250 nan 0.000 0.480 542 E N 0.112 120.323 120.200 0.017 0.000 2.033 542 E HA -0.117 4.234 4.350 0.001 0.000 0.189 542 E C 1.929 178.543 176.600 0.023 0.000 0.979 542 E CA 1.086 57.498 56.400 0.020 0.000 0.802 542 E CB -0.168 29.542 29.700 0.018 0.000 0.763 542 E HN 0.484 nan 8.360 nan 0.000 0.449 543 Q N 0.557 120.371 119.800 0.023 0.000 2.083 543 Q HA 0.000 4.341 4.340 0.001 0.000 0.198 543 Q C 2.533 178.552 176.000 0.031 0.000 0.969 543 Q CA 0.709 56.528 55.803 0.027 0.000 0.838 543 Q CB -0.064 28.689 28.738 0.027 0.000 0.900 543 Q HN 0.176 nan 8.270 nan 0.000 0.436 544 L N 0.776 122.016 121.223 0.029 0.000 1.955 544 L HA -0.245 4.096 4.340 0.001 0.000 0.213 544 L C 2.469 179.361 176.870 0.036 0.000 1.072 544 L CA 1.387 56.245 54.840 0.030 0.000 0.755 544 L CB -0.545 41.525 42.059 0.019 0.000 0.888 544 L HN 0.128 nan 8.230 nan 0.000 0.432 545 K N 0.523 120.943 120.400 0.032 0.000 2.218 545 K HA -0.192 4.129 4.320 0.001 0.000 0.205 545 K C 1.777 178.407 176.600 0.050 0.000 1.046 545 K CA 1.588 57.900 56.287 0.042 0.000 0.933 545 K CB -0.271 32.249 32.500 0.035 0.000 0.728 545 K HN 0.337 nan 8.250 nan 0.000 0.454 546 A N -0.215 122.631 122.820 0.044 0.000 1.855 546 A HA -0.044 4.277 4.320 0.001 0.000 0.213 546 A C 2.322 179.940 177.584 0.057 0.000 1.195 546 A CA 1.425 53.488 52.037 0.044 0.000 0.610 546 A CB -0.868 18.153 19.000 0.035 0.000 0.837 546 A HN 0.144 nan 8.150 nan 0.000 0.444 547 V N -0.503 119.446 119.914 0.059 0.000 2.626 547 V HA -0.185 3.936 4.120 0.001 0.000 0.252 547 V C 2.413 178.575 176.094 0.113 0.000 1.067 547 V CA 2.258 64.603 62.300 0.075 0.000 1.081 547 V CB -0.330 31.530 31.823 0.062 0.000 0.686 547 V HN 0.620 nan 8.190 nan 0.000 0.468 548 M N -0.223 119.438 119.600 0.102 0.000 2.358 548 M HA -0.124 4.357 4.480 0.001 0.000 0.264 548 M C 1.485 177.899 176.300 0.191 0.000 1.064 548 M CA 1.767 57.151 55.300 0.140 0.000 1.093 548 M CB -0.438 32.225 32.600 0.106 0.000 1.401 548 M HN 0.333 nan 8.290 nan 0.000 0.440 549 D N -0.055 120.423 120.400 0.130 0.000 2.149 549 D HA -0.123 4.517 4.640 0.001 0.000 0.206 549 D C 1.541 177.900 176.300 0.099 0.000 0.967 549 D CA 1.195 55.255 54.000 0.099 0.000 0.848 549 D CB -0.384 40.453 40.800 0.062 0.000 0.998 549 D HN 0.353 nan 8.370 nan 0.000 0.474 550 D N 0.475 120.937 120.400 0.104 0.000 2.133 550 D HA -0.185 4.455 4.640 0.001 0.000 0.195 550 D C 1.922 178.311 176.300 0.148 0.000 0.997 550 D CA 0.664 54.720 54.000 0.095 0.000 0.840 550 D CB -0.480 40.365 40.800 0.074 0.000 0.947 550 D HN 0.218 nan 8.370 nan 0.000 0.452 551 F N 1.660 121.644 119.950 0.057 0.000 2.102 551 F HA -0.116 4.412 4.527 0.002 0.000 0.298 551 F C 2.270 178.119 175.800 0.082 0.000 1.105 551 F CA 1.700 59.762 58.000 0.104 0.000 1.239 551 F CB -0.307 38.709 39.000 0.026 0.000 0.991 551 F HN -0.063 nan 8.300 nan 0.000 0.474 552 A N 0.640 123.451 122.820 -0.016 0.000 1.908 552 A HA -0.088 4.233 4.320 0.001 0.000 0.218 552 A C 2.322 179.774 177.584 -0.221 0.000 1.181 552 A CA 1.874 53.807 52.037 -0.173 0.000 0.627 552 A CB -1.618 17.389 19.000 0.012 0.000 0.818 552 A HN 0.555 nan 8.150 nan 0.000 0.445 553 A N -1.745 121.012 122.820 -0.104 0.000 2.167 553 A HA 0.215 4.536 4.320 0.001 0.000 0.214 553 A C 1.798 179.317 177.584 -0.108 0.000 1.151 553 A CA 1.164 53.144 52.037 -0.095 0.000 0.735 553 A CB -0.566 18.413 19.000 -0.035 0.000 0.802 553 A HN 0.753 nan 8.150 nan 0.000 0.467 554 F N 0.912 120.689 119.950 -0.288 0.000 2.147 554 F HA -0.060 4.468 4.527 0.001 0.000 0.291 554 F C 2.107 177.634 175.800 -0.454 0.000 1.093 554 F CA 1.731 59.535 58.000 -0.327 0.000 1.263 554 F CB -0.674 38.154 39.000 -0.288 0.000 1.036 554 F HN 0.096 nan 8.300 nan 0.000 0.481 555 V N -0.629 118.584 119.914 -1.168 0.000 2.828 555 V HA -0.178 3.943 4.120 0.001 0.000 0.260 555 V C 2.140 177.860 176.094 -0.623 0.000 1.101 555 V CA 2.289 63.925 62.300 -1.107 0.000 1.123 555 V CB -0.815 30.508 31.823 -0.833 0.000 0.704 555 V HN 0.567 nan 8.190 nan 0.000 0.493 556 E N 1.545 121.467 120.200 -0.464 0.000 2.086 556 E HA -0.169 4.181 4.350 0.001 0.000 0.190 556 E C 2.229 178.674 176.600 -0.260 0.000 0.975 556 E CA 1.437 57.668 56.400 -0.282 0.000 0.813 556 E CB -0.054 29.524 29.700 -0.203 0.000 0.768 556 E HN 0.810 nan 8.360 nan 0.000 0.457 557 K N -0.348 119.880 120.400 -0.287 0.000 2.365 557 K HA -0.040 4.281 4.320 0.001 0.000 0.199 557 K C 1.644 178.082 176.600 -0.271 0.000 1.045 557 K CA 1.122 57.283 56.287 -0.211 0.000 0.962 557 K CB -0.066 32.358 32.500 -0.127 0.000 0.759 557 K HN 0.086 nan 8.250 nan 0.000 0.469 558 c N -0.404 117.895 118.600 -0.500 0.000 2.865 558 c HA 0.216 4.786 4.570 0.001 0.000 0.280 558 c C 2.306 176.248 174.090 -0.246 0.000 1.255 558 c CA -0.519 55.460 56.329 -0.584 0.000 1.705 558 c CB -0.571 41.045 42.510 -1.490 0.000 2.080 558 c HN 0.670 nan 8.230 nan 0.000 0.591 559 c N 0.736 119.243 118.600 -0.155 0.000 2.507 559 c HA 0.021 4.591 4.570 0.001 0.000 0.280 559 c C 2.437 176.521 174.090 -0.010 0.000 1.345 559 c CA 0.719 57.062 56.329 0.022 0.000 1.736 559 c CB -0.683 41.832 42.510 0.008 0.000 2.060 559 c HN 0.539 nan 8.230 nan 0.000 0.498 560 K N 1.843 122.209 120.400 -0.056 0.000 2.400 560 K HA 0.197 4.518 4.320 0.001 0.000 0.194 560 K C 0.816 177.396 176.600 -0.034 0.000 1.033 560 K CA 0.226 56.488 56.287 -0.041 0.000 1.021 560 K CB -0.507 31.961 32.500 -0.053 0.000 0.808 560 K HN 0.385 nan 8.250 nan 0.000 0.505 561 A N 3.019 125.811 122.820 -0.046 0.000 2.489 561 A HA 0.020 4.341 4.320 0.001 0.000 0.289 561 A C 0.665 178.248 177.584 -0.002 0.000 1.216 561 A CA 0.345 52.362 52.037 -0.033 0.000 0.883 561 A CB -0.446 18.521 19.000 -0.055 0.000 1.110 561 A HN 0.380 nan 8.150 nan 0.000 0.523 562 D N 1.053 121.452 120.400 -0.001 0.000 4.595 562 D HA -0.273 4.367 4.640 0.001 0.000 0.264 562 D C 0.267 176.577 176.300 0.016 0.000 0.517 562 D CA 2.783 56.788 54.000 0.008 0.000 1.451 562 D CB -0.402 40.406 40.800 0.013 0.000 0.886 562 D HN 0.730 nan 8.370 nan 0.000 0.361 563 D N -0.222 120.195 120.400 0.029 0.000 4.407 563 D HA 0.107 4.748 4.640 0.001 0.000 0.224 563 D C -1.299 175.035 176.300 0.056 0.000 1.474 563 D CA -0.162 53.861 54.000 0.038 0.000 0.954 563 D CB -0.485 40.331 40.800 0.028 0.000 1.323 563 D HN 0.310 nan 8.370 nan 0.000 0.911 564 K N 0.409 120.857 120.400 0.080 0.000 2.270 564 K HA 0.427 4.748 4.320 0.001 0.000 0.255 564 K C 0.418 177.131 176.600 0.188 0.000 0.936 564 K CA -0.580 55.772 56.287 0.108 0.000 0.809 564 K CB 1.983 34.538 32.500 0.092 0.000 1.131 564 K HN -0.147 nan 8.250 nan 0.000 0.427 565 E N -0.258 120.045 120.200 0.173 0.000 2.431 565 E HA -0.073 4.278 4.350 0.001 0.000 0.200 565 E C 1.397 178.147 176.600 0.251 0.000 0.995 565 E CA 0.476 57.008 56.400 0.220 0.000 0.915 565 E CB 0.408 30.172 29.700 0.108 0.000 0.930 565 E HN 0.749 nan 8.360 nan 0.000 0.496 566 T N -1.741 112.921 114.554 0.180 0.000 2.915 566 T HA -0.172 4.178 4.350 0.001 0.000 0.269 566 T C 2.115 176.922 174.700 0.178 0.000 1.071 566 T CA 0.821 63.016 62.100 0.158 0.000 1.132 566 T CB -0.735 68.196 68.868 0.104 0.000 0.878 566 T HN 0.292 nan 8.240 nan 0.000 0.479 567 c N 0.868 119.580 118.600 0.187 0.000 2.396 567 c HA -0.075 4.496 4.570 0.001 0.000 0.281 567 c C 2.278 176.494 174.090 0.210 0.000 1.208 567 c CA 0.907 57.318 56.329 0.137 0.000 1.754 567 c CB -1.763 40.773 42.510 0.044 0.000 2.044 567 c HN 0.601 nan 8.230 nan 0.000 0.449 568 F N 1.768 121.829 119.950 0.186 0.000 2.111 568 F HA -0.237 4.290 4.527 0.001 0.000 0.300 568 F C 2.567 178.534 175.800 0.279 0.000 1.088 568 F CA 2.097 60.285 58.000 0.313 0.000 1.243 568 F CB -0.969 38.160 39.000 0.214 0.000 0.996 568 F HN 0.405 nan 8.300 nan 0.000 0.483 569 A N 0.058 123.105 122.820 0.377 0.000 1.841 569 A HA -0.199 4.122 4.320 0.001 0.000 0.216 569 A C 2.230 179.918 177.584 0.174 0.000 1.199 569 A CA 1.927 54.112 52.037 0.248 0.000 0.621 569 A CB -0.713 18.405 19.000 0.196 0.000 0.835 569 A HN 0.320 nan 8.150 nan 0.000 0.445 570 E N -0.177 120.109 120.200 0.143 0.000 2.072 570 E HA -0.144 4.207 4.350 0.001 0.000 0.191 570 E C 2.013 178.650 176.600 0.062 0.000 0.985 570 E CA 1.141 57.593 56.400 0.088 0.000 0.801 570 E CB -0.375 29.369 29.700 0.073 0.000 0.750 570 E HN 0.631 nan 8.360 nan 0.000 0.452 571 E N 0.369 120.623 120.200 0.091 0.000 2.028 571 E HA -0.071 4.279 4.350 0.001 0.000 0.190 571 E C 2.261 178.735 176.600 -0.209 0.000 0.984 571 E CA 1.020 57.431 56.400 0.017 0.000 0.800 571 E CB -0.617 29.211 29.700 0.213 0.000 0.758 571 E HN 0.328 nan 8.360 nan 0.000 0.448 572 G N 2.074 110.797 108.800 -0.129 0.000 2.469 572 G HA2 -0.330 3.631 3.960 0.001 0.000 0.220 572 G HA3 -0.330 3.631 3.960 0.001 0.000 0.220 572 G C 1.596 176.444 174.900 -0.086 0.000 1.136 572 G CA 1.101 46.069 45.100 -0.219 0.000 0.759 572 G HN 0.219 nan 8.290 nan 0.000 0.562 573 K N 0.671 121.069 120.400 -0.003 0.000 2.147 573 K HA -0.079 4.241 4.320 0.001 0.000 0.205 573 K C 2.344 178.925 176.600 -0.032 0.000 1.049 573 K CA 1.242 57.532 56.287 0.006 0.000 0.936 573 K CB -0.147 32.369 32.500 0.027 0.000 0.722 573 K HN 0.270 nan 8.250 nan 0.000 0.446 574 K N 0.559 120.917 120.400 -0.070 0.000 2.217 574 K HA -0.046 4.274 4.320 0.001 0.000 0.202 574 K C 2.086 178.624 176.600 -0.103 0.000 1.051 574 K CA 0.500 56.742 56.287 -0.074 0.000 0.952 574 K CB 0.046 32.504 32.500 -0.071 0.000 0.736 574 K HN 0.169 nan 8.250 nan 0.000 0.453 575 L N 0.712 121.824 121.223 -0.184 0.000 2.007 575 L HA -0.151 4.189 4.340 0.001 0.000 0.205 575 L C 2.120 178.962 176.870 -0.047 0.000 1.073 575 L CA 0.964 55.698 54.840 -0.176 0.000 0.744 575 L CB -0.167 41.667 42.059 -0.374 0.000 0.898 575 L HN -0.062 nan 8.230 nan 0.000 0.435 576 V N 0.598 120.510 119.914 -0.004 0.000 2.282 576 V HA -0.374 3.746 4.120 0.001 0.000 0.249 576 V C 2.812 178.918 176.094 0.020 0.000 1.057 576 V CA 1.942 64.268 62.300 0.043 0.000 1.032 576 V CB -1.237 30.631 31.823 0.076 0.000 0.645 576 V HN 0.611 nan 8.190 nan 0.000 0.447 577 A N -0.097 122.721 122.820 -0.002 0.000 1.883 577 A HA -0.142 4.179 4.320 0.001 0.000 0.217 577 A C 2.383 179.966 177.584 -0.002 0.000 1.186 577 A CA 2.378 54.412 52.037 -0.006 0.000 0.624 577 A CB -0.841 18.149 19.000 -0.016 0.000 0.822 577 A HN 0.624 nan 8.150 nan 0.000 0.444 578 A N -1.034 121.780 122.820 -0.010 0.000 2.014 578 A HA 0.067 4.388 4.320 0.001 0.000 0.218 578 A C 2.354 179.941 177.584 0.006 0.000 1.163 578 A CA 1.662 53.697 52.037 -0.005 0.000 0.652 578 A CB -0.620 18.372 19.000 -0.013 0.000 0.808 578 A HN 0.433 nan 8.150 nan 0.000 0.449 579 S N -0.299 115.407 115.700 0.009 0.000 2.382 579 S HA -0.185 4.286 4.470 0.001 0.000 0.228 579 S C 1.959 176.569 174.600 0.016 0.000 1.027 579 S CA 1.533 59.742 58.200 0.016 0.000 0.991 579 S CB -0.280 62.932 63.200 0.020 0.000 0.823 579 S HN 0.635 nan 8.310 nan 0.000 0.469 580 Q N 1.076 120.890 119.800 0.023 0.000 2.376 580 Q HA 0.078 4.418 4.340 0.001 0.000 0.211 580 Q C 0.684 176.706 176.000 0.037 0.000 0.986 580 Q CA 0.808 56.637 55.803 0.044 0.000 0.886 580 Q CB -0.422 28.351 28.738 0.057 0.000 0.927 580 Q HN 0.537 nan 8.270 nan 0.000 0.457 581 A N 0.250 123.085 122.820 0.025 0.000 2.444 581 A HA 0.528 4.849 4.320 0.001 0.000 0.287 581 A C 0.184 177.783 177.584 0.025 0.000 1.195 581 A CA 0.317 52.367 52.037 0.022 0.000 0.858 581 A CB -0.974 18.036 19.000 0.015 0.000 1.117 581 A HN 0.511 nan 8.150 nan 0.000 0.521 582 A N 0.000 122.836 122.820 0.027 0.000 2.254 582 A HA 0.000 4.321 4.320 0.001 0.000 0.244 582 A CA 0.000 52.054 52.037 0.029 0.000 0.836 582 A CB 0.000 19.015 19.000 0.025 0.000 0.831 582 A HN 0.000 nan 8.150 nan 0.000 0.486