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 3a73_1_A DATA FIRST_RESID 2 DATA SEQUENCE AHKSEVAHRF KDLGEENFKA LVLIAFAQYL QQCPFEDHVK LVNEVTEFAK DATA SEQUENCE TcVADESAEN cDKSLHTLFG DKLcTVATLR ETYGEMADcc AKQEPERNEc DATA SEQUENCE FLQHKDDNPN LPRLVRPEVD VMcTAFHDNE ETFLKKYLYE IARRHPYFYA DATA SEQUENCE PELLFFAKRY KAAFTEccQA ADKAAcLLPK LDELRDEGKA SSAKQRLKcA DATA SEQUENCE SLQKFGERAF KAWAVARLSQ RFPKAEFAEV SKLVTDLTKV HTEccHGDLL DATA SEQUENCE EcADDRADLA KYIcENQDSI SSKLKEccEK PLLEKSHcIA EVENDEMPAD DATA SEQUENCE LPSLAADFVE SKDVcKNYAE AKDVFLGMFL YEYARRHPDY SVVLLLRLAK DATA SEQUENCE TYETTLEKcc AAADPHEcYA KVFDEFKPLV EEPQNLIKQN cELFEQLGEY DATA SEQUENCE KFQNALLVRY TKKVPQVSTP TLVEVSRNLG KVGSKccKHP EAKRMPcAED DATA SEQUENCE YLSVVLNQLc VLHEKTPVSD RVTKccTESL VNRRPcFSAL EVDETYVPKE DATA SEQUENCE FNAETFTFHA DIcTLSEKER QIKKQTALVE LVKHKPKATK EQLKAVMDDF DATA SEQUENCE AAFVEKccXX XXXXXcFAEE GKKLVAASQA ALG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.551 177.584 -0.055 0.000 1.274 2 A CA 0.000 52.055 52.037 0.029 0.000 0.836 2 A CB 0.000 18.974 19.000 -0.043 0.000 0.831 3 H N 0.273 119.297 119.070 -0.077 0.000 2.488 3 H HA 0.469 5.024 4.556 -0.000 0.000 0.347 3 H C 1.264 176.581 175.328 -0.018 0.000 1.174 3 H CA -0.141 55.860 56.048 -0.079 0.000 1.307 3 H CB 1.006 30.665 29.762 -0.171 0.000 1.517 3 H HN 0.047 nan 8.280 nan 0.000 0.554 4 K N 0.637 121.102 120.400 0.108 0.000 1.973 4 K HA -0.040 4.280 4.320 -0.001 0.000 0.210 4 K C 0.525 177.183 176.600 0.097 0.000 1.045 4 K CA 0.969 57.303 56.287 0.078 0.000 0.937 4 K CB -0.003 32.530 32.500 0.054 0.000 0.721 4 K HN 0.400 nan 8.250 nan 0.000 0.438 5 S N 1.622 117.385 115.700 0.106 0.000 2.434 5 S HA 0.095 4.564 4.470 -0.001 0.000 0.318 5 S C 0.681 175.351 174.600 0.117 0.000 1.062 5 S CA -0.453 57.803 58.200 0.094 0.000 1.116 5 S CB 0.746 63.973 63.200 0.045 0.000 0.977 5 S HN 0.079 nan 8.310 nan 0.000 0.480 6 E N 3.070 123.341 120.200 0.118 0.000 2.106 6 E HA -0.090 4.260 4.350 -0.001 0.000 0.192 6 E C 1.999 178.687 176.600 0.147 0.000 0.984 6 E CA 0.782 57.248 56.400 0.110 0.000 0.806 6 E CB -0.241 29.518 29.700 0.100 0.000 0.750 6 E HN 0.570 nan 8.360 nan 0.000 0.458 7 V N 1.023 121.030 119.914 0.155 0.000 2.490 7 V HA -0.225 3.895 4.120 -0.001 0.000 0.250 7 V C 2.144 178.312 176.094 0.123 0.000 1.061 7 V CA 1.938 64.356 62.300 0.195 0.000 1.064 7 V CB -0.369 31.581 31.823 0.211 0.000 0.670 7 V HN 0.260 nan 8.190 nan 0.000 0.461 8 A N -1.198 121.649 122.820 0.045 0.000 1.872 8 A HA -0.237 4.083 4.320 -0.001 0.000 0.214 8 A C 2.246 179.890 177.584 0.099 0.000 1.187 8 A CA 1.673 53.711 52.037 0.002 0.000 0.614 8 A CB -1.044 17.940 19.000 -0.026 0.000 0.826 8 A HN 0.760 nan 8.150 nan 0.000 0.442 9 H N -0.153 118.926 119.070 0.015 0.000 2.319 9 H HA -0.128 4.428 4.556 -0.001 0.000 0.299 9 H C 2.148 177.487 175.328 0.017 0.000 1.092 9 H CA 1.828 57.862 56.048 -0.022 0.000 1.302 9 H CB 0.010 29.649 29.762 -0.204 0.000 1.373 9 H HN 0.237 nan 8.280 nan 0.000 0.497 10 R N -0.074 120.476 120.500 0.083 0.000 2.096 10 R HA -0.147 4.192 4.340 -0.001 0.000 0.235 10 R C 2.398 178.785 176.300 0.145 0.000 1.127 10 R CA 1.001 57.160 56.100 0.098 0.000 0.968 10 R CB -1.264 29.173 30.300 0.227 0.000 0.861 10 R HN 0.369 nan 8.270 nan 0.000 0.440 11 F N 1.991 121.927 119.950 -0.023 0.000 2.163 11 F HA -0.113 4.414 4.527 -0.001 0.000 0.297 11 F C 1.996 177.710 175.800 -0.144 0.000 1.094 11 F CA 1.422 59.305 58.000 -0.194 0.000 1.290 11 F CB 0.106 38.804 39.000 -0.504 0.000 1.017 11 F HN -0.110 nan 8.300 nan 0.000 0.483 12 K N -0.365 120.114 120.400 0.133 0.000 2.148 12 K HA -0.176 4.144 4.320 -0.001 0.000 0.204 12 K C 1.573 178.125 176.600 -0.080 0.000 1.050 12 K CA 1.597 57.904 56.287 0.034 0.000 0.942 12 K CB -0.304 32.215 32.500 0.032 0.000 0.724 12 K HN 0.319 nan 8.250 nan 0.000 0.446 13 D N 0.945 121.260 120.400 -0.143 0.000 2.110 13 D HA -0.060 4.580 4.640 -0.001 0.000 0.202 13 D C 1.795 178.037 176.300 -0.097 0.000 0.975 13 D CA 0.772 54.685 54.000 -0.144 0.000 0.839 13 D CB 0.093 40.759 40.800 -0.223 0.000 0.996 13 D HN -0.007 nan 8.370 nan 0.000 0.464 14 L N -0.196 120.977 121.223 -0.084 0.000 2.131 14 L HA 0.150 4.490 4.340 -0.001 0.000 0.210 14 L C 1.232 178.027 176.870 -0.125 0.000 1.092 14 L CA 0.594 55.395 54.840 -0.065 0.000 0.759 14 L CB -1.035 41.023 42.059 -0.001 0.000 0.903 14 L HN 0.317 nan 8.230 nan 0.000 0.435 15 G N 0.188 108.842 108.800 -0.242 0.000 2.777 15 G HA2 -0.245 3.715 3.960 -0.001 0.000 0.686 15 G HA3 -0.245 3.715 3.960 -0.001 0.000 0.686 15 G C 0.312 174.923 174.900 -0.483 0.000 1.177 15 G CA 0.065 44.977 45.100 -0.315 0.000 0.775 15 G HN 0.328 nan 8.290 nan 0.000 0.613 16 E N 0.308 120.123 120.200 -0.642 0.000 2.085 16 E HA -0.200 4.150 4.350 -0.001 0.000 0.194 16 E C 2.064 178.568 176.600 -0.159 0.000 0.994 16 E CA 1.762 57.787 56.400 -0.624 0.000 0.801 16 E CB -0.037 29.508 29.700 -0.257 0.000 0.743 16 E HN 0.579 nan 8.360 nan 0.000 0.453 17 E N 0.583 120.731 120.200 -0.086 0.000 2.077 17 E HA -0.163 4.187 4.350 -0.001 0.000 0.193 17 E C 1.885 178.497 176.600 0.020 0.000 0.989 17 E CA 0.765 57.163 56.400 -0.002 0.000 0.800 17 E CB -0.366 29.334 29.700 0.001 0.000 0.746 17 E HN 0.329 nan 8.360 nan 0.000 0.452 18 N N 0.397 119.091 118.700 -0.009 0.000 2.188 18 N HA -0.115 4.624 4.740 -0.001 0.000 0.184 18 N C 1.703 177.234 175.510 0.035 0.000 1.018 18 N CA 0.541 53.596 53.050 0.009 0.000 0.858 18 N CB -0.453 38.028 38.487 -0.010 0.000 0.989 18 N HN 0.168 nan 8.380 nan 0.000 0.426 19 F N 2.143 122.019 119.950 -0.123 0.000 2.113 19 F HA -0.107 4.420 4.527 -0.001 0.000 0.297 19 F C 2.061 177.878 175.800 0.029 0.000 1.103 19 F CA 1.348 59.306 58.000 -0.070 0.000 1.248 19 F CB 0.050 38.938 39.000 -0.187 0.000 0.999 19 F HN -0.118 nan 8.300 nan 0.000 0.475 20 K N 0.510 121.071 120.400 0.269 0.000 2.057 20 K HA -0.138 4.181 4.320 -0.001 0.000 0.207 20 K C 2.340 178.985 176.600 0.075 0.000 1.049 20 K CA 1.301 57.698 56.287 0.183 0.000 0.931 20 K CB -0.609 32.014 32.500 0.205 0.000 0.714 20 K HN 0.374 nan 8.250 nan 0.000 0.440 21 A N 1.283 124.140 122.820 0.061 0.000 1.877 21 A HA -0.145 4.175 4.320 -0.001 0.000 0.216 21 A C 2.126 179.721 177.584 0.018 0.000 1.186 21 A CA 1.397 53.464 52.037 0.050 0.000 0.620 21 A CB -0.633 18.393 19.000 0.043 0.000 0.822 21 A HN 0.168 nan 8.150 nan 0.000 0.443 22 L N -0.752 120.447 121.223 -0.041 0.000 2.156 22 L HA -0.087 4.253 4.340 -0.001 0.000 0.208 22 L C 2.423 179.241 176.870 -0.087 0.000 1.095 22 L CA 0.473 55.263 54.840 -0.083 0.000 0.770 22 L CB -0.287 41.694 42.059 -0.130 0.000 0.914 22 L HN 0.226 nan 8.230 nan 0.000 0.439 23 V N -0.047 119.795 119.914 -0.120 0.000 2.358 23 V HA -0.279 3.841 4.120 -0.001 0.000 0.246 23 V C 2.359 178.612 176.094 0.266 0.000 1.047 23 V CA 1.678 63.992 62.300 0.023 0.000 1.035 23 V CB -0.308 31.481 31.823 -0.056 0.000 0.658 23 V HN 0.343 nan 8.190 nan 0.000 0.452 24 L N -0.025 121.315 121.223 0.194 0.000 2.017 24 L HA -0.131 4.209 4.340 -0.001 0.000 0.208 24 L C 2.167 179.195 176.870 0.262 0.000 1.073 24 L CA 1.902 56.904 54.840 0.270 0.000 0.745 24 L CB -0.464 41.719 42.059 0.206 0.000 0.894 24 L HN 0.216 nan 8.230 nan 0.000 0.432 25 I N -0.190 120.464 120.570 0.140 0.000 2.127 25 I HA -0.326 3.843 4.170 -0.001 0.000 0.241 25 I C 2.627 178.807 176.117 0.105 0.000 1.075 25 I CA 1.398 62.748 61.300 0.084 0.000 1.334 25 I CB -0.714 37.290 38.000 0.006 0.000 1.040 25 I HN 0.390 nan 8.210 nan 0.000 0.405 26 A N 0.495 123.357 122.820 0.069 0.000 1.902 26 A HA -0.182 4.138 4.320 -0.001 0.000 0.217 26 A C 2.089 179.782 177.584 0.181 0.000 1.181 26 A CA 1.489 53.530 52.037 0.006 0.000 0.623 26 A CB -0.964 17.871 19.000 -0.276 0.000 0.818 26 A HN 0.331 nan 8.150 nan 0.000 0.443 27 F N 0.188 120.363 119.950 0.374 0.000 2.186 27 F HA -0.048 4.479 4.527 -0.000 0.000 0.299 27 F C 2.755 178.873 175.800 0.529 0.000 1.090 27 F CA 0.982 59.219 58.000 0.395 0.000 1.307 27 F CB -0.481 38.639 39.000 0.200 0.000 1.019 27 F HN 0.245 nan 8.300 nan 0.000 0.489 28 A N -0.496 122.672 122.820 0.580 0.000 2.070 28 A HA -0.201 4.119 4.320 -0.001 0.000 0.220 28 A C 2.057 179.717 177.584 0.127 0.000 1.159 28 A CA 1.427 53.609 52.037 0.242 0.000 0.656 28 A CB -0.629 18.374 19.000 0.005 0.000 0.800 28 A HN 0.496 nan 8.150 nan 0.000 0.453 29 Q N -2.289 117.573 119.800 0.103 0.000 2.269 29 Q HA -0.050 4.290 4.340 -0.001 0.000 0.201 29 Q C 1.423 177.294 176.000 -0.215 0.000 0.946 29 Q CA 1.126 56.870 55.803 -0.098 0.000 0.877 29 Q CB -0.101 28.528 28.738 -0.182 0.000 0.963 29 Q HN 0.862 nan 8.270 nan 0.000 0.472 30 Y N -0.049 120.257 120.300 0.010 0.000 2.343 30 Y HA 0.093 4.643 4.550 -0.001 0.000 0.294 30 Y C 0.952 176.803 175.900 -0.082 0.000 1.122 30 Y CA 0.438 58.514 58.100 -0.040 0.000 1.173 30 Y CB 0.668 39.090 38.460 -0.063 0.000 1.077 30 Y HN -0.070 nan 8.280 nan 0.000 0.542 31 L N 1.333 122.666 121.223 0.184 0.000 2.701 31 L HA 0.211 4.551 4.340 -0.001 0.000 0.237 31 L C 0.755 177.845 176.870 0.367 0.000 1.204 31 L CA -0.049 54.852 54.840 0.101 0.000 1.109 31 L CB 0.382 42.513 42.059 0.120 0.000 1.409 31 L HN 0.233 nan 8.230 nan 0.000 0.428 32 Q N -0.141 119.823 119.800 0.274 0.000 2.224 32 Q HA -0.160 4.180 4.340 -0.001 0.000 0.203 32 Q C 1.196 177.319 176.000 0.206 0.000 0.970 32 Q CA 1.222 57.131 55.803 0.177 0.000 0.865 32 Q CB 0.077 28.868 28.738 0.088 0.000 0.922 32 Q HN 0.679 nan 8.270 nan 0.000 0.445 33 Q N -0.722 119.287 119.800 0.348 0.000 2.319 33 Q HA 0.111 4.451 4.340 -0.001 0.000 0.202 33 Q C 0.034 176.196 176.000 0.270 0.000 0.896 33 Q CA -0.278 55.653 55.803 0.212 0.000 0.942 33 Q CB 0.684 29.439 28.738 0.028 0.000 1.083 33 Q HN 0.212 nan 8.270 nan 0.000 0.510 34 C N 2.761 122.326 119.300 0.442 0.000 2.527 34 C HA 0.340 4.799 4.460 -0.001 0.000 0.396 34 C C -1.937 173.318 174.990 0.442 0.000 1.289 34 C CA -1.410 57.860 59.018 0.419 0.000 2.047 34 C CB 0.328 28.338 27.740 0.450 0.000 2.568 34 C HN 0.247 nan 8.230 nan 0.000 0.573 35 P HA 0.103 nan 4.420 nan 0.000 0.274 35 P C 0.645 177.955 177.300 0.017 0.000 1.237 35 P CA -0.334 62.885 63.100 0.198 0.000 0.793 35 P CB 0.297 32.062 31.700 0.109 0.000 0.977 36 F N 3.077 122.741 119.950 -0.476 0.000 2.027 36 F HA -0.301 4.226 4.527 -0.001 0.000 0.297 36 F C 2.064 177.662 175.800 -0.338 0.000 1.129 36 F CA 2.335 59.797 58.000 -0.897 0.000 1.195 36 F CB -0.731 37.835 39.000 -0.723 0.000 0.960 36 F HN 0.435 nan 8.300 nan 0.000 0.485 37 E N -0.139 119.835 120.200 -0.375 0.000 2.209 37 E HA -0.249 4.101 4.350 -0.001 0.000 0.196 37 E C 1.648 178.082 176.600 -0.277 0.000 0.993 37 E CA 1.697 57.859 56.400 -0.397 0.000 0.819 37 E CB -1.042 28.553 29.700 -0.176 0.000 0.745 37 E HN 0.471 nan 8.360 nan 0.000 0.477 38 D N 0.720 121.024 120.400 -0.159 0.000 2.144 38 D HA -0.123 4.517 4.640 -0.001 0.000 0.200 38 D C 1.976 178.169 176.300 -0.177 0.000 0.978 38 D CA 0.964 54.888 54.000 -0.126 0.000 0.833 38 D CB -0.458 40.312 40.800 -0.051 0.000 0.961 38 D HN 0.453 nan 8.370 nan 0.000 0.470 39 H N 0.057 118.988 119.070 -0.231 0.000 2.423 39 H HA -0.015 4.540 4.556 -0.001 0.000 0.297 39 H C 2.246 177.414 175.328 -0.266 0.000 1.075 39 H CA 0.475 56.407 56.048 -0.194 0.000 1.342 39 H CB 0.274 29.986 29.762 -0.084 0.000 1.395 39 H HN -0.015 nan 8.280 nan 0.000 0.530 40 V N 1.623 121.349 119.914 -0.314 0.000 2.255 40 V HA -0.304 3.816 4.120 -0.001 0.000 0.247 40 V C 2.670 178.641 176.094 -0.204 0.000 1.051 40 V CA 2.198 64.300 62.300 -0.331 0.000 1.018 40 V CB -0.482 31.032 31.823 -0.516 0.000 0.641 40 V HN 0.403 nan 8.190 nan 0.000 0.445 41 K N -0.075 120.202 120.400 -0.205 0.000 2.044 41 K HA -0.214 4.106 4.320 -0.001 0.000 0.210 41 K C 2.148 178.645 176.600 -0.172 0.000 1.049 41 K CA 1.994 58.184 56.287 -0.161 0.000 0.927 41 K CB -0.311 32.097 32.500 -0.153 0.000 0.713 41 K HN 0.426 nan 8.250 nan 0.000 0.443 42 L N 0.912 121.990 121.223 -0.241 0.000 2.027 42 L HA -0.174 4.166 4.340 -0.001 0.000 0.206 42 L C 2.588 179.299 176.870 -0.265 0.000 1.074 42 L CA 0.974 55.612 54.840 -0.335 0.000 0.745 42 L CB -0.575 41.140 42.059 -0.573 0.000 0.898 42 L HN 0.044 nan 8.230 nan 0.000 0.433 43 V N 0.573 120.380 119.914 -0.178 0.000 2.233 43 V HA -0.410 3.709 4.120 -0.001 0.000 0.252 43 V C 2.123 178.235 176.094 0.029 0.000 1.063 43 V CA 2.576 64.859 62.300 -0.029 0.000 1.032 43 V CB -0.926 30.913 31.823 0.027 0.000 0.645 43 V HN 0.531 nan 8.190 nan 0.000 0.446 44 N N -0.590 118.104 118.700 -0.009 0.000 2.061 44 N HA -0.235 4.505 4.740 -0.001 0.000 0.193 44 N C 1.856 177.385 175.510 0.032 0.000 1.030 44 N CA 1.608 54.669 53.050 0.019 0.000 0.856 44 N CB -0.184 38.289 38.487 -0.023 0.000 1.023 44 N HN 0.631 nan 8.380 nan 0.000 0.424 45 E N 0.391 120.582 120.200 -0.015 0.000 2.058 45 E HA -0.162 4.188 4.350 -0.001 0.000 0.194 45 E C 2.078 178.727 176.600 0.082 0.000 0.997 45 E CA 1.051 57.450 56.400 -0.002 0.000 0.801 45 E CB -0.006 29.649 29.700 -0.075 0.000 0.746 45 E HN 0.155 nan 8.360 nan 0.000 0.450 46 V N 1.081 121.052 119.914 0.095 0.000 2.427 46 V HA -0.219 3.901 4.120 -0.001 0.000 0.248 46 V C 2.270 178.594 176.094 0.384 0.000 1.051 46 V CA 2.021 64.471 62.300 0.250 0.000 1.048 46 V CB -0.575 31.393 31.823 0.242 0.000 0.666 46 V HN 0.338 nan 8.190 nan 0.000 0.456 47 T N -0.617 114.149 114.554 0.353 0.000 2.746 47 T HA -0.159 4.191 4.350 -0.001 0.000 0.267 47 T C 1.904 176.637 174.700 0.055 0.000 1.039 47 T CA 1.305 63.605 62.100 0.333 0.000 1.142 47 T CB -0.204 68.867 68.868 0.339 0.000 0.866 47 T HN 0.393 nan 8.240 nan 0.000 0.444 48 E N 0.708 120.947 120.200 0.065 0.000 2.106 48 E HA -0.019 4.331 4.350 -0.001 0.000 0.192 48 E C 1.820 178.416 176.600 -0.006 0.000 0.984 48 E CA 0.650 57.050 56.400 -0.001 0.000 0.806 48 E CB -0.504 29.212 29.700 0.025 0.000 0.750 48 E HN 0.577 nan 8.360 nan 0.000 0.458 49 F N 1.556 121.479 119.950 -0.045 0.000 2.146 49 F HA -0.096 4.431 4.527 -0.001 0.000 0.298 49 F C 2.125 177.866 175.800 -0.099 0.000 1.096 49 F CA 1.397 59.369 58.000 -0.048 0.000 1.275 49 F CB -0.415 38.583 39.000 -0.003 0.000 1.008 49 F HN -0.021 nan 8.300 nan 0.000 0.480 50 A N 0.889 123.498 122.820 -0.351 0.000 1.892 50 A HA -0.277 4.042 4.320 -0.001 0.000 0.218 50 A C 2.266 179.375 177.584 -0.791 0.000 1.188 50 A CA 2.250 53.927 52.037 -0.599 0.000 0.631 50 A CB -0.897 17.758 19.000 -0.575 0.000 0.822 50 A HN 0.507 nan 8.150 nan 0.000 0.447 51 K N -0.635 119.317 120.400 -0.747 0.000 2.152 51 K HA -0.146 4.174 4.320 -0.001 0.000 0.206 51 K C 2.162 178.505 176.600 -0.428 0.000 1.048 51 K CA 1.808 57.705 56.287 -0.650 0.000 0.933 51 K CB -0.437 31.795 32.500 -0.445 0.000 0.721 51 K HN 0.802 nan 8.250 nan 0.000 0.447 52 T N -1.509 112.820 114.554 -0.374 0.000 2.867 52 T HA -0.125 4.225 4.350 -0.001 0.000 0.268 52 T C 2.218 176.745 174.700 -0.288 0.000 1.057 52 T CA 1.128 63.073 62.100 -0.258 0.000 1.136 52 T CB -0.651 68.116 68.868 -0.169 0.000 0.874 52 T HN 0.199 nan 8.240 nan 0.000 0.466 53 c N 0.890 119.229 118.600 -0.436 0.000 2.457 53 c HA 0.147 4.716 4.570 -0.001 0.000 0.278 53 c C 2.934 176.879 174.090 -0.242 0.000 1.309 53 c CA -0.042 56.081 56.329 -0.343 0.000 1.735 53 c CB -1.162 41.087 42.510 -0.435 0.000 1.992 53 c HN 0.432 nan 8.230 nan 0.000 0.493 54 V N 1.511 121.238 119.914 -0.311 0.000 2.343 54 V HA -0.220 3.900 4.120 -0.001 0.000 0.247 54 V C 2.681 178.684 176.094 -0.151 0.000 1.051 54 V CA 2.344 64.506 62.300 -0.231 0.000 1.036 54 V CB -1.086 30.525 31.823 -0.352 0.000 0.654 54 V HN 0.607 nan 8.190 nan 0.000 0.451 55 A N -1.063 121.657 122.820 -0.166 0.000 1.970 55 A HA -0.058 4.262 4.320 -0.001 0.000 0.216 55 A C 1.145 178.682 177.584 -0.079 0.000 1.170 55 A CA 1.460 53.432 52.037 -0.109 0.000 0.645 55 A CB -0.037 18.897 19.000 -0.110 0.000 0.816 55 A HN 0.534 nan 8.150 nan 0.000 0.447 56 D N -1.295 119.051 120.400 -0.091 0.000 2.375 56 D HA 0.123 4.763 4.640 -0.001 0.000 0.241 56 D C 0.756 177.020 176.300 -0.059 0.000 1.361 56 D CA -0.113 53.852 54.000 -0.058 0.000 0.995 56 D CB 0.697 41.471 40.800 -0.043 0.000 1.312 56 D HN 0.403 nan 8.370 nan 0.000 0.576 57 E N 0.951 121.128 120.200 -0.037 0.000 2.265 57 E HA -0.097 4.252 4.350 -0.001 0.000 0.196 57 E C 0.516 177.114 176.600 -0.002 0.000 0.996 57 E CA 0.592 56.979 56.400 -0.021 0.000 0.832 57 E CB 0.055 29.760 29.700 0.008 0.000 0.756 57 E HN 0.123 nan 8.360 nan 0.000 0.491 58 S N 0.600 116.300 115.700 -0.001 0.000 2.593 58 S HA 0.277 4.747 4.470 -0.001 0.000 0.217 58 S C 0.684 175.295 174.600 0.017 0.000 0.966 58 S CA 0.111 58.319 58.200 0.012 0.000 0.914 58 S CB 0.250 63.456 63.200 0.010 0.000 0.776 58 S HN 0.467 nan 8.310 nan 0.000 0.523 59 A N 2.141 124.965 122.820 0.007 0.000 2.386 59 A HA 0.280 4.599 4.320 -0.001 0.000 0.248 59 A C 0.410 178.037 177.584 0.072 0.000 1.082 59 A CA -0.491 51.561 52.037 0.024 0.000 0.789 59 A CB -0.016 18.984 19.000 -0.000 0.000 1.025 59 A HN 0.514 nan 8.150 nan 0.000 0.490 60 E N 1.486 121.736 120.200 0.083 0.000 2.765 60 E HA -0.132 4.217 4.350 -0.001 0.000 0.256 60 E C 0.070 176.780 176.600 0.183 0.000 0.935 60 E CA 1.031 57.493 56.400 0.103 0.000 0.954 60 E CB -0.197 29.548 29.700 0.076 0.000 0.908 60 E HN 0.669 nan 8.360 nan 0.000 0.500 61 N N 1.771 120.563 118.700 0.153 0.000 2.936 61 N HA -0.231 4.509 4.740 -0.001 0.000 0.236 61 N C 0.209 175.938 175.510 0.365 0.000 0.930 61 N CA 1.220 54.382 53.050 0.186 0.000 0.966 61 N CB -1.947 36.583 38.487 0.072 0.000 1.090 61 N HN 0.558 nan 8.380 nan 0.000 0.592 62 c N 0.838 119.614 118.600 0.293 0.000 2.464 62 c HA -0.015 4.555 4.570 -0.001 0.000 0.278 62 c C 1.933 176.114 174.090 0.153 0.000 1.375 62 c CA 0.953 57.397 56.329 0.192 0.000 1.761 62 c CB -0.736 41.786 42.510 0.020 0.000 1.944 62 c HN 0.590 nan 8.230 nan 0.000 0.509 63 D N 0.484 120.964 120.400 0.133 0.000 2.340 63 D HA -0.018 4.622 4.640 -0.001 0.000 0.220 63 D C 0.479 176.849 176.300 0.116 0.000 1.039 63 D CA 0.282 54.346 54.000 0.107 0.000 0.866 63 D CB -0.347 40.501 40.800 0.080 0.000 0.913 63 D HN 0.410 nan 8.370 nan 0.000 0.523 64 K N 0.908 121.393 120.400 0.142 0.000 2.202 64 K HA 0.229 4.548 4.320 -0.001 0.000 0.264 64 K C 0.773 177.460 176.600 0.145 0.000 1.010 64 K CA -0.369 55.996 56.287 0.130 0.000 0.940 64 K CB 0.912 33.485 32.500 0.122 0.000 0.983 64 K HN 0.121 nan 8.250 nan 0.000 0.475 65 S N 1.228 117.011 115.700 0.137 0.000 2.600 65 S HA 0.071 4.541 4.470 -0.001 0.000 0.265 65 S C 1.391 176.083 174.600 0.155 0.000 1.325 65 S CA -0.568 57.722 58.200 0.149 0.000 1.002 65 S CB 0.391 63.694 63.200 0.172 0.000 0.921 65 S HN 0.557 nan 8.310 nan 0.000 0.554 66 L N 0.587 121.879 121.223 0.114 0.000 2.083 66 L HA -0.128 4.212 4.340 -0.001 0.000 0.209 66 L C 2.793 179.682 176.870 0.032 0.000 1.083 66 L CA 1.403 56.274 54.840 0.053 0.000 0.752 66 L CB -0.766 41.258 42.059 -0.059 0.000 0.899 66 L HN 0.782 nan 8.230 nan 0.000 0.433 67 H N -0.605 118.524 119.070 0.097 0.000 2.321 67 H HA -0.132 4.423 4.556 -0.001 0.000 0.300 67 H C 2.346 177.764 175.328 0.149 0.000 1.087 67 H CA 1.982 58.095 56.048 0.108 0.000 1.319 67 H CB -0.317 29.499 29.762 0.091 0.000 1.379 67 H HN 0.316 nan 8.280 nan 0.000 0.501 68 T N 1.634 116.336 114.554 0.248 0.000 2.684 68 T HA -0.124 4.225 4.350 -0.001 0.000 0.267 68 T C 2.459 177.245 174.700 0.144 0.000 1.036 68 T CA 1.005 63.209 62.100 0.173 0.000 1.148 68 T CB -0.388 68.559 68.868 0.132 0.000 0.863 68 T HN 0.173 nan 8.240 nan 0.000 0.436 69 L N -0.451 120.864 121.223 0.153 0.000 2.093 69 L HA 0.006 4.346 4.340 -0.001 0.000 0.208 69 L C 2.251 179.222 176.870 0.168 0.000 1.085 69 L CA 1.063 55.981 54.840 0.131 0.000 0.755 69 L CB -0.492 41.684 42.059 0.195 0.000 0.904 69 L HN 0.181 nan 8.230 nan 0.000 0.435 70 F N 0.900 120.870 119.950 0.034 0.000 2.060 70 F HA -0.099 4.428 4.527 -0.000 0.000 0.295 70 F C 2.299 178.067 175.800 -0.052 0.000 1.120 70 F CA 1.574 59.558 58.000 -0.026 0.000 1.205 70 F CB -0.851 37.995 39.000 -0.257 0.000 0.986 70 F HN -0.024 nan 8.300 nan 0.000 0.470 71 G N -0.076 108.746 108.800 0.036 0.000 2.491 71 G HA2 -0.312 3.648 3.960 -0.001 0.000 0.218 71 G HA3 -0.312 3.648 3.960 -0.001 0.000 0.218 71 G C 1.395 176.280 174.900 -0.024 0.000 1.180 71 G CA 1.190 46.298 45.100 0.012 0.000 0.774 71 G HN 0.349 nan 8.290 nan 0.000 0.562 72 D N 0.498 120.907 120.400 0.015 0.000 2.116 72 D HA -0.105 4.535 4.640 -0.001 0.000 0.193 72 D C 2.341 178.591 176.300 -0.083 0.000 0.998 72 D CA 1.297 55.285 54.000 -0.019 0.000 0.836 72 D CB -0.205 40.578 40.800 -0.028 0.000 0.951 72 D HN 0.211 nan 8.370 nan 0.000 0.449 73 K N 0.724 121.062 120.400 -0.104 0.000 2.032 73 K HA -0.041 4.278 4.320 -0.001 0.000 0.209 73 K C 2.200 178.669 176.600 -0.219 0.000 1.048 73 K CA 0.694 56.883 56.287 -0.163 0.000 0.927 73 K CB -0.611 31.806 32.500 -0.138 0.000 0.712 73 K HN 0.122 nan 8.250 nan 0.000 0.441 74 L N -0.207 120.848 121.223 -0.280 0.000 2.079 74 L HA -0.267 4.072 4.340 -0.001 0.000 0.210 74 L C 2.046 178.800 176.870 -0.193 0.000 1.081 74 L CA 1.288 55.914 54.840 -0.357 0.000 0.752 74 L CB -0.330 41.258 42.059 -0.786 0.000 0.896 74 L HN 0.302 nan 8.230 nan 0.000 0.433 75 c N -0.780 117.763 118.600 -0.096 0.000 2.576 75 c HA -0.022 4.547 4.570 -0.001 0.000 0.267 75 c C 2.529 176.597 174.090 -0.037 0.000 1.364 75 c CA 0.965 57.293 56.329 -0.001 0.000 1.723 75 c CB -1.201 41.345 42.510 0.059 0.000 1.778 75 c HN 0.627 nan 8.230 nan 0.000 0.572 76 T N -2.228 112.276 114.554 -0.084 0.000 3.060 76 T HA 0.086 4.435 4.350 -0.001 0.000 0.249 76 T C 0.569 175.217 174.700 -0.085 0.000 1.079 76 T CA 0.148 62.198 62.100 -0.083 0.000 1.013 76 T CB -0.402 68.400 68.868 -0.109 0.000 0.975 76 T HN 0.289 nan 8.240 nan 0.000 0.518 77 V N 1.694 121.552 119.914 -0.094 0.000 2.485 77 V HA 0.655 4.775 4.120 -0.001 0.000 0.287 77 V C 1.436 177.521 176.094 -0.016 0.000 1.022 77 V CA -0.009 62.249 62.300 -0.071 0.000 1.067 77 V CB -0.027 31.745 31.823 -0.085 0.000 0.967 77 V HN 0.428 nan 8.190 nan 0.000 0.479 78 A N 4.343 127.153 122.820 -0.018 0.000 2.066 78 A HA 0.009 4.329 4.320 -0.001 0.000 0.218 78 A C 1.903 179.497 177.584 0.017 0.000 1.157 78 A CA 1.564 53.597 52.037 -0.006 0.000 0.670 78 A CB -0.556 18.433 19.000 -0.018 0.000 0.804 78 A HN 1.499 nan 8.150 nan 0.000 0.453 79 T N -2.991 111.585 114.554 0.037 0.000 3.186 79 T HA 0.256 4.605 4.350 -0.001 0.000 0.257 79 T C 1.266 176.028 174.700 0.102 0.000 1.029 79 T CA 0.248 62.376 62.100 0.046 0.000 0.916 79 T CB -0.163 68.718 68.868 0.023 0.000 1.041 79 T HN 0.070 nan 8.240 nan 0.000 0.562 80 L N 1.802 123.117 121.223 0.154 0.000 2.013 80 L HA -0.007 4.332 4.340 -0.001 0.000 0.212 80 L C 2.741 179.762 176.870 0.251 0.000 1.073 80 L CA 1.917 56.929 54.840 0.287 0.000 0.753 80 L CB -0.496 41.657 42.059 0.157 0.000 0.890 80 L HN 0.339 nan 8.230 nan 0.000 0.432 81 R N -0.660 119.914 120.500 0.122 0.000 2.066 81 R HA -0.201 4.138 4.340 -0.001 0.000 0.232 81 R C 2.346 178.673 176.300 0.045 0.000 1.131 81 R CA 1.657 57.805 56.100 0.080 0.000 0.955 81 R CB -0.386 29.941 30.300 0.044 0.000 0.851 81 R HN 0.595 nan 8.270 nan 0.000 0.432 82 E N -0.664 119.548 120.200 0.020 0.000 2.110 82 E HA -0.154 4.196 4.350 -0.001 0.000 0.193 82 E C 0.976 177.537 176.600 -0.065 0.000 0.988 82 E CA 1.863 58.254 56.400 -0.016 0.000 0.804 82 E CB 0.116 29.805 29.700 -0.018 0.000 0.745 82 E HN 0.392 nan 8.360 nan 0.000 0.458 83 T N -1.073 113.403 114.554 -0.130 0.000 3.010 83 T HA 0.002 4.352 4.350 -0.001 0.000 0.252 83 T C 0.764 175.188 174.700 -0.460 0.000 1.047 83 T CA 0.740 62.610 62.100 -0.382 0.000 1.140 83 T CB -0.096 68.356 68.868 -0.693 0.000 0.885 83 T HN 0.272 nan 8.240 nan 0.000 0.464 84 Y N 0.573 120.899 120.300 0.044 0.000 2.430 84 Y HA 0.462 5.012 4.550 -0.000 0.000 0.248 84 Y C 2.005 177.930 175.900 0.042 0.000 1.108 84 Y CA -0.324 57.810 58.100 0.055 0.000 1.264 84 Y CB -0.020 38.484 38.460 0.074 0.000 1.172 84 Y HN 0.320 nan 8.280 nan 0.000 0.520 85 G N 1.999 110.877 108.800 0.130 0.000 2.889 85 G HA2 -0.479 3.480 3.960 -0.001 0.000 0.308 85 G HA3 -0.479 3.480 3.960 -0.001 0.000 0.308 85 G C 1.348 176.279 174.900 0.052 0.000 1.248 85 G CA 0.923 46.068 45.100 0.076 0.000 0.982 85 G HN 0.494 nan 8.290 nan 0.000 0.571 86 E N 0.768 120.993 120.200 0.040 0.000 2.208 86 E HA 0.140 4.490 4.350 -0.001 0.000 0.193 86 E C 2.515 178.987 176.600 -0.213 0.000 0.988 86 E CA 1.204 57.584 56.400 -0.034 0.000 0.828 86 E CB -0.144 29.595 29.700 0.066 0.000 0.763 86 E HN 0.590 nan 8.360 nan 0.000 0.478 87 M N 1.098 120.578 119.600 -0.199 0.000 2.202 87 M HA -0.140 4.340 4.480 -0.001 0.000 0.262 87 M C 2.235 178.505 176.300 -0.050 0.000 1.063 87 M CA 1.714 56.887 55.300 -0.212 0.000 1.097 87 M CB -0.145 32.481 32.600 0.044 0.000 1.382 87 M HN 0.339 nan 8.290 nan 0.000 0.413 88 A N 0.051 122.878 122.820 0.012 0.000 2.015 88 A HA -0.161 4.158 4.320 -0.001 0.000 0.219 88 A C 1.486 179.051 177.584 -0.032 0.000 1.163 88 A CA 1.733 53.790 52.037 0.034 0.000 0.646 88 A CB -0.645 18.387 19.000 0.054 0.000 0.806 88 A HN 0.508 nan 8.150 nan 0.000 0.448 89 D N -0.068 120.287 120.400 -0.074 0.000 2.182 89 D HA -0.146 4.494 4.640 -0.001 0.000 0.201 89 D C 1.924 178.135 176.300 -0.149 0.000 0.986 89 D CA 1.354 55.300 54.000 -0.089 0.000 0.847 89 D CB -0.767 39.991 40.800 -0.071 0.000 0.942 89 D HN 0.480 nan 8.370 nan 0.000 0.467 90 c N 0.621 119.064 118.600 -0.262 0.000 2.396 90 c HA -0.204 4.365 4.570 -0.001 0.000 0.277 90 c C 2.997 176.886 174.090 -0.335 0.000 1.231 90 c CA 0.260 56.324 56.329 -0.441 0.000 1.775 90 c CB -1.246 40.668 42.510 -0.993 0.000 2.036 90 c HN 0.457 nan 8.230 nan 0.000 0.484 91 c N 1.061 119.562 118.600 -0.166 0.000 2.411 91 c HA -0.071 4.498 4.570 -0.001 0.000 0.279 91 c C 3.007 177.069 174.090 -0.046 0.000 1.288 91 c CA 1.079 57.382 56.329 -0.043 0.000 1.764 91 c CB -1.612 40.917 42.510 0.032 0.000 1.974 91 c HN 0.723 nan 8.230 nan 0.000 0.498 92 A N -0.202 122.585 122.820 -0.056 0.000 2.216 92 A HA -0.048 4.272 4.320 -0.001 0.000 0.214 92 A C 0.933 178.492 177.584 -0.042 0.000 1.160 92 A CA 1.084 53.097 52.037 -0.040 0.000 0.725 92 A CB -0.231 18.747 19.000 -0.036 0.000 0.784 92 A HN 0.712 nan 8.150 nan 0.000 0.472 93 K N 0.685 121.046 120.400 -0.065 0.000 2.118 93 K HA 0.347 4.667 4.320 -0.001 0.000 0.254 93 K C -0.410 176.168 176.600 -0.037 0.000 0.961 93 K CA -0.743 55.509 56.287 -0.058 0.000 0.876 93 K CB 0.749 33.195 32.500 -0.090 0.000 1.077 93 K HN 0.211 nan 8.250 nan 0.000 0.440 94 Q N 1.730 121.518 119.800 -0.021 0.000 2.354 94 Q HA -0.027 4.313 4.340 -0.001 0.000 0.244 94 Q C 0.781 176.782 176.000 0.001 0.000 0.969 94 Q CA 0.113 55.914 55.803 -0.004 0.000 0.885 94 Q CB 1.217 29.954 28.738 -0.001 0.000 1.241 94 Q HN 0.592 nan 8.270 nan 0.000 0.461 95 E N 2.671 122.883 120.200 0.020 0.000 2.097 95 E HA -0.153 4.197 4.350 -0.001 0.000 0.196 95 E C -1.039 175.575 176.600 0.024 0.000 1.000 95 E CA 1.811 58.235 56.400 0.040 0.000 0.804 95 E CB -1.071 28.668 29.700 0.064 0.000 0.740 95 E HN 0.451 nan 8.360 nan 0.000 0.454 96 P HA -0.141 nan 4.420 nan 0.000 0.214 96 P C 0.948 178.246 177.300 -0.003 0.000 1.163 96 P CA 1.810 64.903 63.100 -0.011 0.000 0.889 96 P CB -0.043 31.649 31.700 -0.012 0.000 0.790 97 E N -0.844 119.353 120.200 -0.005 0.000 2.047 97 E HA -0.142 4.208 4.350 -0.001 0.000 0.191 97 E C 2.227 178.806 176.600 -0.036 0.000 0.987 97 E CA 0.865 57.258 56.400 -0.012 0.000 0.799 97 E CB -0.637 29.052 29.700 -0.018 0.000 0.752 97 E HN 0.114 nan 8.360 nan 0.000 0.449 98 R N 0.731 121.196 120.500 -0.058 0.000 2.096 98 R HA -0.243 4.097 4.340 -0.001 0.000 0.240 98 R C 2.079 178.303 176.300 -0.127 0.000 1.139 98 R CA 2.022 58.028 56.100 -0.157 0.000 0.952 98 R CB -0.288 29.963 30.300 -0.081 0.000 0.854 98 R HN 0.177 nan 8.270 nan 0.000 0.436 99 N N -0.123 118.623 118.700 0.077 0.000 2.106 99 N HA -0.173 4.567 4.740 -0.001 0.000 0.188 99 N C 1.474 177.095 175.510 0.185 0.000 1.029 99 N CA 1.470 54.653 53.050 0.223 0.000 0.848 99 N CB 0.012 38.598 38.487 0.166 0.000 1.007 99 N HN 0.185 nan 8.380 nan 0.000 0.423 100 E N 0.275 120.541 120.200 0.111 0.000 2.130 100 E HA -0.223 4.126 4.350 -0.001 0.000 0.196 100 E C 2.121 178.801 176.600 0.132 0.000 0.998 100 E CA 0.841 57.324 56.400 0.139 0.000 0.806 100 E CB -1.136 28.627 29.700 0.105 0.000 0.738 100 E HN 0.523 nan 8.360 nan 0.000 0.459 101 c N -0.261 118.368 118.600 0.047 0.000 2.446 101 c HA -0.079 4.490 4.570 -0.001 0.000 0.277 101 c C 2.598 176.788 174.090 0.165 0.000 1.275 101 c CA 0.243 56.599 56.329 0.044 0.000 1.727 101 c CB -1.445 40.982 42.510 -0.139 0.000 2.010 101 c HN 0.381 nan 8.230 nan 0.000 0.486 102 F N 0.385 120.454 119.950 0.199 0.000 2.095 102 F HA -0.149 4.378 4.527 -0.001 0.000 0.298 102 F C 2.255 178.271 175.800 0.360 0.000 1.104 102 F CA 0.975 59.131 58.000 0.259 0.000 1.232 102 F CB -0.605 38.504 39.000 0.183 0.000 0.987 102 F HN 0.134 nan 8.300 nan 0.000 0.475 103 L N 0.321 121.830 121.223 0.476 0.000 2.051 103 L HA -0.266 4.074 4.340 -0.001 0.000 0.214 103 L C 2.405 179.384 176.870 0.183 0.000 1.076 103 L CA 1.807 56.830 54.840 0.304 0.000 0.758 103 L CB -1.299 40.851 42.059 0.151 0.000 0.890 103 L HN 0.265 nan 8.230 nan 0.000 0.433 104 Q N -1.411 118.478 119.800 0.148 0.000 2.436 104 Q HA -0.109 4.231 4.340 -0.001 0.000 0.209 104 Q C 1.023 176.960 176.000 -0.105 0.000 0.965 104 Q CA 0.839 56.640 55.803 -0.003 0.000 0.910 104 Q CB -0.168 28.526 28.738 -0.074 0.000 0.980 104 Q HN 0.693 nan 8.270 nan 0.000 0.491 105 H N 0.235 119.385 119.070 0.133 0.000 2.505 105 H HA 0.233 4.789 4.556 -0.000 0.000 0.286 105 H C -0.137 175.250 175.328 0.099 0.000 1.072 105 H CA -0.201 55.925 56.048 0.129 0.000 1.141 105 H CB 0.545 30.404 29.762 0.162 0.000 1.550 105 H HN 0.033 nan 8.280 nan 0.000 0.547 106 K N 2.482 122.946 120.400 0.107 0.000 2.336 106 K HA -0.028 4.292 4.320 -0.001 0.000 0.290 106 K C 0.157 176.767 176.600 0.016 0.000 1.067 106 K CA -0.191 56.050 56.287 -0.077 0.000 0.962 106 K CB 0.491 32.749 32.500 -0.404 0.000 1.008 106 K HN 0.172 nan 8.250 nan 0.000 0.467 107 D N 1.665 122.089 120.400 0.040 0.000 2.370 107 D HA -0.110 4.529 4.640 -0.001 0.000 0.235 107 D C 0.482 176.807 176.300 0.041 0.000 1.228 107 D CA 0.832 54.865 54.000 0.055 0.000 0.884 107 D CB 0.865 41.701 40.800 0.060 0.000 1.201 107 D HN 0.579 nan 8.370 nan 0.000 0.456 108 D N 0.169 120.604 120.400 0.058 0.000 2.368 108 D HA -0.026 4.614 4.640 -0.001 0.000 0.305 108 D C 0.346 176.657 176.300 0.019 0.000 1.143 108 D CA -0.097 53.948 54.000 0.075 0.000 0.847 108 D CB -0.358 40.538 40.800 0.159 0.000 1.357 108 D HN 0.391 nan 8.370 nan 0.000 0.526 109 N N 0.334 119.039 118.700 0.008 0.000 2.313 109 N HA 0.105 4.845 4.740 -0.001 0.000 0.207 109 N C -1.742 173.754 175.510 -0.024 0.000 1.141 109 N CA -1.183 51.861 53.050 -0.010 0.000 0.830 109 N CB 0.371 38.856 38.487 -0.003 0.000 1.008 109 N HN -0.020 nan 8.380 nan 0.000 0.481 110 P HA -0.350 nan 4.420 nan 0.000 0.230 110 P C -0.084 177.196 177.300 -0.033 0.000 0.769 110 P CA 1.848 64.921 63.100 -0.045 0.000 1.097 110 P CB -0.075 31.566 31.700 -0.099 0.000 0.679 111 N N -5.826 112.848 118.700 -0.044 0.000 3.021 111 N HA -0.110 4.629 4.740 -0.001 0.000 0.217 111 N C -0.134 175.353 175.510 -0.038 0.000 0.922 111 N CA 0.643 53.673 53.050 -0.033 0.000 1.016 111 N CB -2.068 36.408 38.487 -0.018 0.000 1.050 111 N HN 0.156 nan 8.380 nan 0.000 0.560 112 L N 1.603 122.793 121.223 -0.056 0.000 2.476 112 L HA 0.288 4.628 4.340 -0.001 0.000 0.264 112 L C -1.112 175.727 176.870 -0.052 0.000 1.224 112 L CA -0.800 54.004 54.840 -0.059 0.000 0.821 112 L CB -0.110 41.894 42.059 -0.091 0.000 1.101 112 L HN 0.000 nan 8.230 nan 0.000 0.488 113 P HA 0.242 nan 4.420 nan 0.000 0.286 113 P C -0.861 176.411 177.300 -0.046 0.000 1.261 113 P CA -0.795 62.284 63.100 -0.036 0.000 0.821 113 P CB 0.825 32.511 31.700 -0.022 0.000 1.013 114 R N 1.216 121.693 120.500 -0.038 0.000 2.505 114 R HA -0.023 4.317 4.340 -0.001 0.000 0.274 114 R C 0.152 176.418 176.300 -0.058 0.000 0.955 114 R CA 0.310 56.386 56.100 -0.041 0.000 1.109 114 R CB -0.187 30.099 30.300 -0.024 0.000 0.890 114 R HN 0.499 nan 8.270 nan 0.000 0.415 115 L N 5.102 126.274 121.223 -0.085 0.000 2.283 115 L HA 0.148 4.488 4.340 -0.001 0.000 0.287 115 L C 0.096 176.911 176.870 -0.091 0.000 1.073 115 L CA -0.484 54.278 54.840 -0.130 0.000 0.822 115 L CB 1.237 43.163 42.059 -0.221 0.000 1.186 115 L HN 0.410 nan 8.230 nan 0.000 0.436 116 V N 4.542 124.425 119.914 -0.052 0.000 2.498 116 V HA 0.347 4.466 4.120 -0.001 0.000 0.279 116 V C 0.332 176.434 176.094 0.014 0.000 1.048 116 V CA -0.751 61.544 62.300 -0.009 0.000 0.967 116 V CB 1.353 33.185 31.823 0.015 0.000 0.988 116 V HN 0.871 nan 8.190 nan 0.000 0.473 117 R N 6.356 126.880 120.500 0.038 0.000 2.370 117 R HA 0.352 4.692 4.340 -0.001 0.000 0.309 117 R C -2.199 174.182 176.300 0.135 0.000 1.059 117 R CA -1.041 55.121 56.100 0.103 0.000 0.981 117 R CB 0.450 30.813 30.300 0.104 0.000 0.972 117 R HN 0.702 nan 8.270 nan 0.000 0.437 118 P HA -0.012 nan 4.420 nan 0.000 0.280 118 P C -0.744 176.640 177.300 0.140 0.000 1.278 118 P CA -0.193 63.006 63.100 0.165 0.000 0.787 118 P CB 0.415 32.240 31.700 0.208 0.000 1.163 119 E N -0.364 119.900 120.200 0.107 0.000 2.390 119 E HA 0.005 4.355 4.350 -0.001 0.000 0.261 119 E C 1.504 178.170 176.600 0.111 0.000 1.076 119 E CA -0.167 56.287 56.400 0.090 0.000 0.905 119 E CB 0.189 29.926 29.700 0.062 0.000 0.984 119 E HN 0.028 nan 8.360 nan 0.000 0.427 120 V N 2.458 122.432 119.914 0.099 0.000 2.278 120 V HA -0.320 3.800 4.120 -0.001 0.000 0.251 120 V C 1.505 177.651 176.094 0.086 0.000 1.062 120 V CA 2.218 64.582 62.300 0.106 0.000 1.038 120 V CB -0.364 31.498 31.823 0.064 0.000 0.646 120 V HN 0.563 nan 8.190 nan 0.000 0.447 121 D N -0.220 120.214 120.400 0.056 0.000 2.123 121 D HA -0.140 4.500 4.640 -0.001 0.000 0.196 121 D C 2.052 178.372 176.300 0.033 0.000 0.992 121 D CA 1.529 55.550 54.000 0.035 0.000 0.833 121 D CB -0.296 40.518 40.800 0.023 0.000 0.954 121 D HN 0.385 nan 8.370 nan 0.000 0.455 122 V N 0.408 120.352 119.914 0.051 0.000 2.453 122 V HA -0.190 3.930 4.120 -0.001 0.000 0.247 122 V C 2.431 178.544 176.094 0.033 0.000 1.048 122 V CA 1.152 63.479 62.300 0.046 0.000 1.049 122 V CB -0.457 31.406 31.823 0.067 0.000 0.672 122 V HN 0.190 nan 8.190 nan 0.000 0.457 123 M N -0.578 119.074 119.600 0.087 0.000 2.086 123 M HA -0.181 4.299 4.480 -0.001 0.000 0.261 123 M C 2.461 178.634 176.300 -0.213 0.000 1.067 123 M CA 1.867 57.184 55.300 0.028 0.000 1.116 123 M CB -0.828 31.984 32.600 0.353 0.000 1.348 123 M HN 0.386 nan 8.290 nan 0.000 0.407 124 c N 0.408 119.000 118.600 -0.014 0.000 2.436 124 c HA -0.137 4.432 4.570 -0.001 0.000 0.277 124 c C 2.921 177.006 174.090 -0.008 0.000 1.241 124 c CA 1.607 57.940 56.329 0.007 0.000 1.721 124 c CB -1.126 41.415 42.510 0.051 0.000 2.043 124 c HN 0.586 nan 8.230 nan 0.000 0.472 125 T N 1.510 116.049 114.554 -0.026 0.000 2.592 125 T HA -0.294 4.056 4.350 -0.001 0.000 0.267 125 T C 2.028 176.696 174.700 -0.054 0.000 1.060 125 T CA 2.289 64.373 62.100 -0.027 0.000 1.167 125 T CB -0.688 68.165 68.868 -0.025 0.000 0.863 125 T HN 0.677 nan 8.240 nan 0.000 0.431 126 A N 0.913 123.635 122.820 -0.163 0.000 1.877 126 A HA 0.000 4.320 4.320 -0.001 0.000 0.216 126 A C 2.054 179.365 177.584 -0.455 0.000 1.186 126 A CA 1.651 53.538 52.037 -0.251 0.000 0.620 126 A CB -1.124 17.750 19.000 -0.209 0.000 0.822 126 A HN 0.479 nan 8.150 nan 0.000 0.443 127 F N 0.411 119.729 119.950 -1.053 0.000 2.087 127 F HA -0.335 4.191 4.527 -0.001 0.000 0.299 127 F C 2.230 177.833 175.800 -0.328 0.000 1.100 127 F CA 2.702 60.163 58.000 -0.899 0.000 1.226 127 F CB -0.592 37.856 39.000 -0.920 0.000 0.983 127 F HN 0.542 nan 8.300 nan 0.000 0.479 128 H N -0.661 118.314 119.070 -0.159 0.000 2.326 128 H HA -0.130 4.425 4.556 -0.001 0.000 0.301 128 H C 1.898 177.121 175.328 -0.175 0.000 1.081 128 H CA 2.259 58.224 56.048 -0.139 0.000 1.334 128 H CB -0.442 29.313 29.762 -0.012 0.000 1.385 128 H HN 0.214 nan 8.280 nan 0.000 0.504 129 D N -0.433 119.939 120.400 -0.046 0.000 2.183 129 D HA -0.077 4.563 4.640 -0.001 0.000 0.203 129 D C 0.116 176.331 176.300 -0.143 0.000 0.969 129 D CA 1.276 55.239 54.000 -0.061 0.000 0.842 129 D CB 0.046 40.852 40.800 0.011 0.000 0.957 129 D HN 0.532 nan 8.370 nan 0.000 0.484 130 N N -0.035 118.564 118.700 -0.169 0.000 2.946 130 N HA -0.035 4.705 4.740 -0.001 0.000 0.213 130 N C 0.368 175.786 175.510 -0.153 0.000 1.440 130 N CA -0.078 52.888 53.050 -0.141 0.000 0.745 130 N CB 0.474 38.923 38.487 -0.064 0.000 1.471 130 N HN -0.206 nan 8.380 nan 0.000 0.569 131 E N 1.014 121.045 120.200 -0.282 0.000 2.130 131 E HA -0.243 4.107 4.350 -0.001 0.000 0.196 131 E C 0.683 177.220 176.600 -0.106 0.000 0.998 131 E CA 1.501 57.682 56.400 -0.366 0.000 0.806 131 E CB 0.325 29.679 29.700 -0.576 0.000 0.738 131 E HN 0.575 nan 8.360 nan 0.000 0.459 132 E N -0.301 119.856 120.200 -0.071 0.000 2.060 132 E HA -0.072 4.278 4.350 -0.001 0.000 0.189 132 E C 2.233 178.858 176.600 0.042 0.000 0.974 132 E CA 1.228 57.627 56.400 -0.001 0.000 0.808 132 E CB -0.542 29.160 29.700 0.004 0.000 0.768 132 E HN 0.248 nan 8.360 nan 0.000 0.453 133 T N 1.794 116.378 114.554 0.051 0.000 2.759 133 T HA -0.164 4.185 4.350 -0.001 0.000 0.269 133 T C 1.630 176.284 174.700 -0.076 0.000 1.042 133 T CA 1.394 63.546 62.100 0.086 0.000 1.140 133 T CB -0.403 68.526 68.868 0.101 0.000 0.864 133 T HN 0.191 nan 8.240 nan 0.000 0.455 134 F N 1.544 121.360 119.950 -0.224 0.000 2.128 134 F HA 0.022 4.549 4.527 -0.001 0.000 0.295 134 F C 1.815 177.392 175.800 -0.371 0.000 1.100 134 F CA 0.858 58.639 58.000 -0.364 0.000 1.260 134 F CB -0.317 38.488 39.000 -0.324 0.000 1.009 134 F HN -0.054 nan 8.300 nan 0.000 0.476 135 L N 0.549 121.675 121.223 -0.162 0.000 2.027 135 L HA -0.153 4.187 4.340 -0.001 0.000 0.206 135 L C 2.412 179.174 176.870 -0.179 0.000 1.074 135 L CA 1.562 56.281 54.840 -0.201 0.000 0.745 135 L CB -1.644 40.454 42.059 0.065 0.000 0.898 135 L HN 0.117 nan 8.230 nan 0.000 0.433 136 K N 0.601 120.956 120.400 -0.074 0.000 2.063 136 K HA -0.201 4.118 4.320 -0.001 0.000 0.208 136 K C 2.053 178.620 176.600 -0.056 0.000 1.048 136 K CA 1.259 57.576 56.287 0.050 0.000 0.928 136 K CB -0.318 32.322 32.500 0.234 0.000 0.713 136 K HN 0.189 nan 8.250 nan 0.000 0.442 137 K N -0.631 119.454 120.400 -0.525 0.000 2.057 137 K HA -0.136 4.184 4.320 -0.001 0.000 0.207 137 K C 1.867 178.394 176.600 -0.122 0.000 1.049 137 K CA 1.326 57.048 56.287 -0.941 0.000 0.931 137 K CB -0.317 31.424 32.500 -1.264 0.000 0.714 137 K HN 0.022 nan 8.250 nan 0.000 0.440 138 Y N 0.395 120.453 120.300 -0.402 0.000 2.263 138 Y HA -0.059 4.491 4.550 -0.001 0.000 0.292 138 Y C 1.998 177.753 175.900 -0.241 0.000 1.130 138 Y CA 0.481 58.375 58.100 -0.344 0.000 1.179 138 Y CB -0.782 37.374 38.460 -0.508 0.000 0.998 138 Y HN 0.090 nan 8.280 nan 0.000 0.532 139 L N -0.313 120.894 121.223 -0.026 0.000 2.012 139 L HA -0.267 4.072 4.340 -0.001 0.000 0.210 139 L C 2.405 179.280 176.870 0.009 0.000 1.073 139 L CA 1.878 56.703 54.840 -0.025 0.000 0.748 139 L CB -1.365 40.711 42.059 0.029 0.000 0.891 139 L HN 0.350 nan 8.230 nan 0.000 0.431 140 Y N 0.119 120.390 120.300 -0.048 0.000 2.128 140 Y HA -0.232 4.318 4.550 -0.000 0.000 0.284 140 Y C 2.327 178.176 175.900 -0.085 0.000 1.154 140 Y CA 2.081 60.157 58.100 -0.040 0.000 1.149 140 Y CB -0.216 38.285 38.460 0.068 0.000 0.976 140 Y HN 0.281 nan 8.280 nan 0.000 0.505 141 E N 0.759 120.791 120.200 -0.280 0.000 2.051 141 E HA -0.198 4.152 4.350 -0.001 0.000 0.192 141 E C 2.313 178.720 176.600 -0.321 0.000 0.991 141 E CA 1.867 58.016 56.400 -0.419 0.000 0.799 141 E CB -0.419 29.118 29.700 -0.271 0.000 0.748 141 E HN 0.659 nan 8.360 nan 0.000 0.449 142 I N 1.126 121.556 120.570 -0.234 0.000 2.315 142 I HA -0.203 3.967 4.170 -0.001 0.000 0.248 142 I C 2.523 178.584 176.117 -0.094 0.000 1.117 142 I CA 1.001 62.213 61.300 -0.147 0.000 1.404 142 I CB -0.313 37.555 38.000 -0.220 0.000 1.071 142 I HN -0.018 nan 8.210 nan 0.000 0.419 143 A N 1.738 124.470 122.820 -0.148 0.000 1.930 143 A HA -0.190 4.130 4.320 -0.001 0.000 0.217 143 A C 2.403 179.909 177.584 -0.131 0.000 1.175 143 A CA 1.621 53.594 52.037 -0.106 0.000 0.627 143 A CB -0.588 18.371 19.000 -0.069 0.000 0.815 143 A HN 0.527 nan 8.150 nan 0.000 0.443 144 R N -0.912 119.443 120.500 -0.241 0.000 2.193 144 R HA 0.083 4.422 4.340 -0.001 0.000 0.213 144 R C 1.748 177.922 176.300 -0.210 0.000 1.055 144 R CA 1.045 57.004 56.100 -0.236 0.000 0.995 144 R CB -0.260 29.827 30.300 -0.356 0.000 0.893 144 R HN 0.379 nan 8.270 nan 0.000 0.459 145 R N -0.083 120.277 120.500 -0.234 0.000 2.246 145 R HA 0.105 4.445 4.340 -0.001 0.000 0.199 145 R C 0.101 176.083 176.300 -0.530 0.000 0.984 145 R CA 0.457 56.364 56.100 -0.323 0.000 1.015 145 R CB 0.304 30.418 30.300 -0.312 0.000 0.930 145 R HN 0.360 nan 8.270 nan 0.000 0.475 146 H N 0.208 119.245 119.070 -0.055 0.000 2.336 146 H HA 0.171 4.727 4.556 -0.000 0.000 0.230 146 H C -1.965 173.385 175.328 0.036 0.000 1.426 146 H CA -1.717 54.361 56.048 0.049 0.000 1.359 146 H CB 1.297 31.150 29.762 0.151 0.000 1.555 146 H HN 0.062 nan 8.280 nan 0.000 0.512 147 P HA -0.101 nan 4.420 nan 0.000 0.233 147 P C 0.573 177.659 177.300 -0.356 0.000 1.167 147 P CA 0.880 63.845 63.100 -0.226 0.000 0.770 147 P CB 0.149 31.627 31.700 -0.370 0.000 0.837 148 Y N -2.176 118.164 120.300 0.066 0.000 2.457 148 Y HA 0.242 4.792 4.550 -0.000 0.000 0.263 148 Y C 1.049 177.049 175.900 0.165 0.000 1.164 148 Y CA -0.739 57.404 58.100 0.071 0.000 1.274 148 Y CB -0.476 37.996 38.460 0.020 0.000 1.097 148 Y HN -0.200 nan 8.280 nan 0.000 0.523 149 F N 1.136 121.188 119.950 0.170 0.000 2.543 149 F HA 0.028 4.555 4.527 -0.000 0.000 0.375 149 F C 0.343 176.252 175.800 0.182 0.000 1.075 149 F CA -1.113 56.987 58.000 0.167 0.000 1.225 149 F CB -0.139 38.926 39.000 0.108 0.000 1.099 149 F HN 0.080 nan 8.300 nan 0.000 0.561 150 Y N 6.205 126.724 120.300 0.365 0.000 2.632 150 Y HA 0.267 4.817 4.550 -0.000 0.000 0.329 150 Y C 1.099 177.175 175.900 0.293 0.000 1.174 150 Y CA -0.056 58.199 58.100 0.257 0.000 1.469 150 Y CB 0.956 39.528 38.460 0.187 0.000 1.242 150 Y HN 0.793 nan 8.280 nan 0.000 0.540 151 A N 7.155 129.829 122.820 -0.244 0.000 1.908 151 A HA -0.122 4.198 4.320 -0.001 0.000 0.218 151 A C -0.619 176.819 177.584 -0.244 0.000 1.181 151 A CA 1.587 53.500 52.037 -0.207 0.000 0.627 151 A CB -1.709 17.180 19.000 -0.184 0.000 0.818 151 A HN 0.769 nan 8.150 nan 0.000 0.445 152 P HA -0.111 nan 4.420 nan 0.000 0.218 152 P C 1.136 178.439 177.300 0.004 0.000 1.149 152 P CA 1.409 64.377 63.100 -0.221 0.000 0.817 152 P CB 0.004 31.552 31.700 -0.253 0.000 0.785 153 E N -0.886 119.402 120.200 0.147 0.000 2.106 153 E HA -0.093 4.256 4.350 -0.001 0.000 0.192 153 E C 1.899 178.791 176.600 0.488 0.000 0.984 153 E CA 0.549 57.188 56.400 0.399 0.000 0.806 153 E CB -0.603 29.491 29.700 0.657 0.000 0.750 153 E HN 0.148 nan 8.360 nan 0.000 0.458 154 L N 0.718 122.098 121.223 0.261 0.000 2.141 154 L HA -0.144 4.196 4.340 -0.001 0.000 0.209 154 L C 2.261 179.180 176.870 0.081 0.000 1.094 154 L CA 0.718 55.536 54.840 -0.037 0.000 0.763 154 L CB -0.111 41.794 42.059 -0.257 0.000 0.908 154 L HN 0.274 nan 8.230 nan 0.000 0.437 155 L N -0.724 120.548 121.223 0.081 0.000 2.072 155 L HA -0.208 4.131 4.340 -0.001 0.000 0.205 155 L C 2.274 179.211 176.870 0.112 0.000 1.079 155 L CA 1.686 56.568 54.840 0.071 0.000 0.752 155 L CB -0.924 41.153 42.059 0.030 0.000 0.906 155 L HN 0.179 nan 8.230 nan 0.000 0.436 156 F N -0.612 119.325 119.950 -0.022 0.000 2.154 156 F HA -0.292 4.235 4.527 -0.000 0.000 0.301 156 F C 1.929 177.690 175.800 -0.065 0.000 1.087 156 F CA 1.732 59.662 58.000 -0.117 0.000 1.274 156 F CB -0.319 38.464 39.000 -0.361 0.000 1.009 156 F HN 0.122 nan 8.300 nan 0.000 0.485 157 F N 0.384 120.348 119.950 0.023 0.000 2.146 157 F HA -0.056 4.470 4.527 -0.000 0.000 0.298 157 F C 2.603 178.463 175.800 0.101 0.000 1.096 157 F CA 1.295 59.305 58.000 0.017 0.000 1.275 157 F CB -1.247 37.834 39.000 0.135 0.000 1.008 157 F HN 0.036 nan 8.300 nan 0.000 0.480 158 A N 0.082 123.073 122.820 0.285 0.000 1.948 158 A HA -0.241 4.079 4.320 -0.001 0.000 0.220 158 A C 2.200 179.907 177.584 0.205 0.000 1.177 158 A CA 1.836 54.020 52.037 0.245 0.000 0.636 158 A CB -0.607 18.462 19.000 0.115 0.000 0.815 158 A HN 0.359 nan 8.150 nan 0.000 0.449 159 K N -0.768 119.668 120.400 0.059 0.000 2.155 159 K HA -0.060 4.260 4.320 -0.001 0.000 0.203 159 K C 2.163 178.748 176.600 -0.025 0.000 1.052 159 K CA 1.056 57.349 56.287 0.009 0.000 0.948 159 K CB -0.137 32.320 32.500 -0.072 0.000 0.728 159 K HN 0.465 nan 8.250 nan 0.000 0.448 160 R N -0.034 120.393 120.500 -0.121 0.000 2.092 160 R HA -0.106 4.233 4.340 -0.001 0.000 0.231 160 R C 2.088 178.341 176.300 -0.078 0.000 1.119 160 R CA 1.361 57.360 56.100 -0.168 0.000 0.970 160 R CB -0.375 29.735 30.300 -0.317 0.000 0.864 160 R HN 0.215 nan 8.270 nan 0.000 0.440 161 Y N 1.204 121.552 120.300 0.080 0.000 2.145 161 Y HA -0.225 4.324 4.550 -0.000 0.000 0.286 161 Y C 2.564 178.656 175.900 0.321 0.000 1.145 161 Y CA 1.538 59.747 58.100 0.182 0.000 1.148 161 Y CB -0.172 38.473 38.460 0.308 0.000 0.981 161 Y HN -0.019 nan 8.280 nan 0.000 0.507 162 K N 0.376 121.057 120.400 0.468 0.000 2.032 162 K HA -0.242 4.078 4.320 -0.001 0.000 0.209 162 K C 2.311 179.093 176.600 0.304 0.000 1.048 162 K CA 1.430 57.992 56.287 0.459 0.000 0.927 162 K CB -0.427 32.269 32.500 0.327 0.000 0.712 162 K HN 0.241 nan 8.250 nan 0.000 0.441 163 A N 0.986 123.896 122.820 0.150 0.000 1.892 163 A HA -0.210 4.109 4.320 -0.001 0.000 0.218 163 A C 2.380 179.966 177.584 0.003 0.000 1.188 163 A CA 2.331 54.405 52.037 0.062 0.000 0.631 163 A CB -1.121 17.873 19.000 -0.011 0.000 0.822 163 A HN 0.547 nan 8.150 nan 0.000 0.447 164 A N -1.716 121.061 122.820 -0.072 0.000 1.969 164 A HA 0.063 4.383 4.320 -0.001 0.000 0.218 164 A C 1.927 179.319 177.584 -0.321 0.000 1.169 164 A CA 1.434 53.336 52.037 -0.225 0.000 0.635 164 A CB -0.665 18.120 19.000 -0.359 0.000 0.810 164 A HN 0.468 nan 8.150 nan 0.000 0.445 165 F N 0.654 120.443 119.950 -0.268 0.000 2.206 165 F HA -0.091 4.436 4.527 -0.000 0.000 0.298 165 F C 2.677 178.094 175.800 -0.639 0.000 1.090 165 F CA 1.653 59.266 58.000 -0.646 0.000 1.323 165 F CB -0.926 37.279 39.000 -1.326 0.000 1.028 165 F HN 0.132 nan 8.300 nan 0.000 0.492 166 T N -0.320 114.132 114.554 -0.170 0.000 2.555 166 T HA -0.328 4.022 4.350 -0.001 0.000 0.264 166 T C 1.755 176.455 174.700 0.000 0.000 1.083 166 T CA 1.838 63.970 62.100 0.052 0.000 1.179 166 T CB -0.583 68.369 68.868 0.140 0.000 0.863 166 T HN 0.243 nan 8.240 nan 0.000 0.412 167 E N 0.233 120.417 120.200 -0.027 0.000 2.119 167 E HA -0.240 4.109 4.350 -0.001 0.000 0.221 167 E C 2.123 178.690 176.600 -0.056 0.000 1.062 167 E CA 2.392 58.766 56.400 -0.043 0.000 0.894 167 E CB -0.694 28.964 29.700 -0.071 0.000 0.785 167 E HN 0.621 nan 8.360 nan 0.000 0.472 168 c N -0.595 117.943 118.600 -0.103 0.000 2.590 168 c HA 0.228 4.797 4.570 -0.001 0.000 0.272 168 c C 1.868 175.924 174.090 -0.057 0.000 1.338 168 c CA -0.232 56.042 56.329 -0.091 0.000 1.746 168 c CB -0.627 41.802 42.510 -0.134 0.000 2.020 168 c HN 0.539 nan 8.230 nan 0.000 0.531 169 c N 1.735 120.302 118.600 -0.054 0.000 2.327 169 c HA 0.095 4.665 4.570 -0.001 0.000 0.401 169 c C 1.780 175.885 174.090 0.025 0.000 1.297 169 c CA 0.814 57.141 56.329 -0.004 0.000 1.628 169 c CB -2.514 40.003 42.510 0.013 0.000 1.787 169 c HN 0.671 nan 8.230 nan 0.000 0.590 170 Q N -1.071 118.734 119.800 0.009 0.000 2.286 170 Q HA 0.201 4.541 4.340 -0.001 0.000 0.243 170 Q C 1.115 177.118 176.000 0.004 0.000 0.752 170 Q CA 0.143 55.956 55.803 0.017 0.000 0.950 170 Q CB 0.428 29.183 28.738 0.029 0.000 1.253 170 Q HN 0.587 nan 8.270 nan 0.000 0.492 171 A N 0.618 123.435 122.820 -0.005 0.000 2.336 171 A HA 0.613 4.933 4.320 -0.001 0.000 0.278 171 A C 1.289 178.869 177.584 -0.008 0.000 1.371 171 A CA 0.593 52.626 52.037 -0.006 0.000 0.842 171 A CB -0.352 18.641 19.000 -0.011 0.000 1.363 171 A HN 0.255 nan 8.150 nan 0.000 0.517 172 A N -1.164 121.652 122.820 -0.008 0.000 1.892 172 A HA -0.039 4.281 4.320 -0.001 0.000 0.218 172 A C 0.700 178.279 177.584 -0.008 0.000 1.188 172 A CA 2.427 54.460 52.037 -0.007 0.000 0.631 172 A CB -0.582 18.413 19.000 -0.007 0.000 0.822 172 A HN 0.788 nan 8.150 nan 0.000 0.447 173 D N -2.346 118.047 120.400 -0.011 0.000 2.696 173 D HA 0.478 5.118 4.640 -0.001 0.000 0.251 173 D C -0.014 176.277 176.300 -0.016 0.000 1.188 173 D CA -0.415 53.579 54.000 -0.011 0.000 0.876 173 D CB 1.233 42.026 40.800 -0.011 0.000 1.334 173 D HN 0.091 nan 8.370 nan 0.000 0.540 174 K N 2.042 122.435 120.400 -0.012 0.000 2.504 174 K HA 0.294 4.614 4.320 -0.001 0.000 0.199 174 K C 0.618 177.208 176.600 -0.018 0.000 1.028 174 K CA 0.039 56.316 56.287 -0.016 0.000 1.164 174 K CB 0.699 33.196 32.500 -0.005 0.000 0.877 174 K HN 0.308 nan 8.250 nan 0.000 0.508 175 A N 0.099 122.909 122.820 -0.016 0.000 2.312 175 A HA 0.330 4.649 4.320 -0.001 0.000 0.215 175 A C 1.696 179.267 177.584 -0.022 0.000 1.256 175 A CA 0.162 52.190 52.037 -0.014 0.000 0.966 175 A CB 0.429 19.426 19.000 -0.005 0.000 1.053 175 A HN 0.207 nan 8.150 nan 0.000 0.510 176 A N -1.869 120.936 122.820 -0.024 0.000 2.348 176 A HA 0.326 4.646 4.320 -0.001 0.000 0.224 176 A C 1.553 179.116 177.584 -0.035 0.000 1.227 176 A CA 0.944 52.966 52.037 -0.025 0.000 0.885 176 A CB -0.742 18.247 19.000 -0.019 0.000 0.933 176 A HN 0.602 nan 8.150 nan 0.000 0.506 177 c N -1.920 116.652 118.600 -0.046 0.000 2.341 177 c HA 0.391 4.961 4.570 -0.001 0.000 0.372 177 c C 2.100 176.136 174.090 -0.091 0.000 1.430 177 c CA 0.570 56.861 56.329 -0.063 0.000 2.316 177 c CB -0.707 41.764 42.510 -0.065 0.000 2.416 177 c HN 0.524 nan 8.230 nan 0.000 0.583 178 L N 0.671 121.834 121.223 -0.100 0.000 2.062 178 L HA 0.059 4.399 4.340 -0.001 0.000 0.202 178 L C 2.462 179.265 176.870 -0.112 0.000 1.079 178 L CA 1.209 55.961 54.840 -0.147 0.000 0.755 178 L CB -0.816 41.156 42.059 -0.146 0.000 0.913 178 L HN 0.257 nan 8.230 nan 0.000 0.445 179 L N 0.915 122.101 121.223 -0.062 0.000 2.034 179 L HA -0.194 4.145 4.340 -0.001 0.000 0.217 179 L C -0.250 176.596 176.870 -0.039 0.000 1.077 179 L CA 2.383 57.202 54.840 -0.034 0.000 0.769 179 L CB -2.704 39.348 42.059 -0.012 0.000 0.890 179 L HN 0.259 nan 8.230 nan 0.000 0.435 180 P HA -0.102 nan 4.420 nan 0.000 0.231 180 P C 1.419 178.682 177.300 -0.061 0.000 1.168 180 P CA 1.045 64.121 63.100 -0.040 0.000 0.779 180 P CB 0.098 31.777 31.700 -0.035 0.000 0.844 181 K N -0.039 120.303 120.400 -0.096 0.000 2.021 181 K HA 0.052 4.372 4.320 -0.001 0.000 0.205 181 K C 2.301 178.807 176.600 -0.157 0.000 1.047 181 K CA 0.903 57.108 56.287 -0.137 0.000 0.943 181 K CB -0.588 31.799 32.500 -0.187 0.000 0.725 181 K HN 0.114 nan 8.250 nan 0.000 0.439 182 L N 1.398 122.534 121.223 -0.145 0.000 2.042 182 L HA -0.242 4.098 4.340 -0.001 0.000 0.210 182 L C 1.831 178.699 176.870 -0.003 0.000 1.076 182 L CA 1.341 56.138 54.840 -0.071 0.000 0.749 182 L CB -0.619 41.449 42.059 0.015 0.000 0.893 182 L HN 0.209 nan 8.230 nan 0.000 0.432 183 D N -0.204 120.192 120.400 -0.007 0.000 2.117 183 D HA -0.209 4.431 4.640 -0.001 0.000 0.198 183 D C 2.034 178.340 176.300 0.010 0.000 0.982 183 D CA 1.371 55.379 54.000 0.013 0.000 0.828 183 D CB 0.012 40.817 40.800 0.009 0.000 0.967 183 D HN 0.445 nan 8.370 nan 0.000 0.464 184 E N 0.119 120.311 120.200 -0.013 0.000 2.077 184 E HA -0.171 4.179 4.350 -0.001 0.000 0.193 184 E C 1.801 178.418 176.600 0.027 0.000 0.989 184 E CA 0.806 57.206 56.400 0.000 0.000 0.800 184 E CB -0.217 29.473 29.700 -0.017 0.000 0.746 184 E HN 0.035 nan 8.360 nan 0.000 0.452 185 L N 1.462 122.669 121.223 -0.028 0.000 2.083 185 L HA -0.099 4.241 4.340 -0.001 0.000 0.209 185 L C 2.649 179.579 176.870 0.100 0.000 1.083 185 L CA 1.915 56.752 54.840 -0.006 0.000 0.752 185 L CB -1.215 40.611 42.059 -0.389 0.000 0.899 185 L HN 0.281 nan 8.230 nan 0.000 0.433 186 R N -0.207 120.349 120.500 0.093 0.000 2.070 186 R HA -0.170 4.170 4.340 -0.001 0.000 0.232 186 R C 1.847 178.182 176.300 0.059 0.000 1.138 186 R CA 1.888 58.041 56.100 0.087 0.000 0.936 186 R CB -0.268 30.080 30.300 0.080 0.000 0.839 186 R HN 0.291 nan 8.270 nan 0.000 0.429 187 D N 0.493 120.932 120.400 0.064 0.000 2.158 187 D HA -0.188 4.451 4.640 -0.001 0.000 0.197 187 D C 1.836 178.209 176.300 0.122 0.000 0.995 187 D CA 1.070 55.113 54.000 0.072 0.000 0.846 187 D CB -0.230 40.597 40.800 0.046 0.000 0.941 187 D HN 0.347 nan 8.370 nan 0.000 0.456 188 E N 0.370 120.669 120.200 0.165 0.000 2.072 188 E HA -0.069 4.281 4.350 -0.001 0.000 0.190 188 E C 2.146 178.884 176.600 0.230 0.000 0.982 188 E CA 0.847 57.419 56.400 0.286 0.000 0.803 188 E CB -0.208 29.710 29.700 0.362 0.000 0.755 188 E HN 0.291 nan 8.360 nan 0.000 0.453 189 G N 1.321 110.103 108.800 -0.030 0.000 2.421 189 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.216 189 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.216 189 G C 1.710 176.543 174.900 -0.112 0.000 1.171 189 G CA 1.012 45.858 45.100 -0.424 0.000 0.775 189 G HN 0.224 nan 8.290 nan 0.000 0.543 190 K N 0.364 120.741 120.400 -0.038 0.000 2.049 190 K HA -0.222 4.097 4.320 -0.001 0.000 0.219 190 K C 2.868 179.493 176.600 0.041 0.000 1.056 190 K CA 1.843 58.137 56.287 0.012 0.000 0.946 190 K CB -0.400 32.126 32.500 0.043 0.000 0.723 190 K HN 0.249 nan 8.250 nan 0.000 0.453 191 A N 0.030 122.909 122.820 0.098 0.000 1.883 191 A HA -0.236 4.084 4.320 -0.001 0.000 0.217 191 A C 2.191 179.810 177.584 0.058 0.000 1.186 191 A CA 2.422 54.529 52.037 0.117 0.000 0.624 191 A CB -1.087 18.048 19.000 0.225 0.000 0.822 191 A HN 0.452 nan 8.150 nan 0.000 0.444 192 S N -0.892 114.863 115.700 0.092 0.000 2.368 192 S HA -0.159 4.311 4.470 -0.001 0.000 0.225 192 S C 2.348 176.827 174.600 -0.200 0.000 1.030 192 S CA 2.049 60.286 58.200 0.062 0.000 0.999 192 S CB -0.473 62.916 63.200 0.314 0.000 0.844 192 S HN 0.664 nan 8.310 nan 0.000 0.459 193 S N 0.654 116.195 115.700 -0.264 0.000 2.355 193 S HA 0.062 4.531 4.470 -0.001 0.000 0.222 193 S C 2.130 176.647 174.600 -0.139 0.000 1.031 193 S CA 1.343 59.330 58.200 -0.354 0.000 0.993 193 S CB -0.832 62.298 63.200 -0.116 0.000 0.859 193 S HN 0.694 nan 8.310 nan 0.000 0.453 194 A N 1.212 124.000 122.820 -0.052 0.000 1.978 194 A HA -0.101 4.219 4.320 -0.001 0.000 0.220 194 A C 2.164 179.718 177.584 -0.049 0.000 1.170 194 A CA 1.746 53.768 52.037 -0.025 0.000 0.636 194 A CB -0.638 18.364 19.000 0.004 0.000 0.810 194 A HN 0.608 nan 8.150 nan 0.000 0.448 195 K N -0.664 119.698 120.400 -0.064 0.000 2.097 195 K HA -0.176 4.144 4.320 -0.001 0.000 0.206 195 K C 2.265 178.811 176.600 -0.089 0.000 1.049 195 K CA 1.635 57.880 56.287 -0.071 0.000 0.933 195 K CB -0.140 32.323 32.500 -0.060 0.000 0.717 195 K HN 0.675 nan 8.250 nan 0.000 0.442 196 Q N -0.352 119.375 119.800 -0.122 0.000 2.083 196 Q HA -0.073 4.267 4.340 -0.001 0.000 0.198 196 Q C 2.140 178.095 176.000 -0.074 0.000 0.969 196 Q CA 0.836 56.576 55.803 -0.105 0.000 0.838 196 Q CB 0.017 28.658 28.738 -0.162 0.000 0.900 196 Q HN 0.136 nan 8.270 nan 0.000 0.436 197 R N 0.598 121.052 120.500 -0.078 0.000 2.120 197 R HA -0.126 4.214 4.340 -0.001 0.000 0.234 197 R C 2.215 178.476 176.300 -0.065 0.000 1.123 197 R CA 0.804 56.859 56.100 -0.074 0.000 0.975 197 R CB -0.271 29.994 30.300 -0.057 0.000 0.866 197 R HN 0.233 nan 8.270 nan 0.000 0.446 198 L N 1.331 122.522 121.223 -0.054 0.000 2.109 198 L HA -0.100 4.239 4.340 -0.001 0.000 0.207 198 L C 1.981 178.828 176.870 -0.038 0.000 1.086 198 L CA 1.773 56.588 54.840 -0.043 0.000 0.760 198 L CB -0.281 41.753 42.059 -0.043 0.000 0.910 198 L HN -0.134 nan 8.230 nan 0.000 0.437 199 K N -0.405 119.973 120.400 -0.038 0.000 1.985 199 K HA -0.149 4.171 4.320 -0.001 0.000 0.210 199 K C 2.168 178.852 176.600 0.140 0.000 1.047 199 K CA 1.862 58.175 56.287 0.044 0.000 0.932 199 K CB -1.082 31.456 32.500 0.063 0.000 0.716 199 K HN 0.458 nan 8.250 nan 0.000 0.439 200 c N 0.724 119.340 118.600 0.025 0.000 2.413 200 c HA -0.107 4.463 4.570 -0.001 0.000 0.276 200 c C 2.897 176.905 174.090 -0.136 0.000 1.248 200 c CA 0.909 57.166 56.329 -0.121 0.000 1.742 200 c CB -1.099 41.317 42.510 -0.157 0.000 2.017 200 c HN 0.534 nan 8.230 nan 0.000 0.481 201 A N 0.043 122.798 122.820 -0.109 0.000 1.968 201 A HA -0.095 4.225 4.320 -0.001 0.000 0.217 201 A C 2.263 179.759 177.584 -0.146 0.000 1.169 201 A CA 1.894 53.852 52.037 -0.131 0.000 0.638 201 A CB -0.640 18.291 19.000 -0.115 0.000 0.812 201 A HN 0.526 nan 8.150 nan 0.000 0.446 202 S N -0.540 115.122 115.700 -0.063 0.000 2.382 202 S HA -0.123 4.346 4.470 -0.001 0.000 0.228 202 S C 1.833 176.465 174.600 0.053 0.000 1.027 202 S CA 1.400 59.618 58.200 0.031 0.000 0.991 202 S CB -0.333 62.970 63.200 0.172 0.000 0.823 202 S HN 0.505 nan 8.310 nan 0.000 0.469 203 L N 1.852 123.080 121.223 0.009 0.000 2.056 203 L HA -0.078 4.261 4.340 -0.001 0.000 0.207 203 L C 2.345 179.155 176.870 -0.099 0.000 1.078 203 L CA 1.859 56.666 54.840 -0.054 0.000 0.749 203 L CB -0.867 41.006 42.059 -0.311 0.000 0.901 203 L HN 0.238 nan 8.230 nan 0.000 0.433 204 Q N -0.063 119.646 119.800 -0.151 0.000 1.993 204 Q HA -0.240 4.100 4.340 -0.001 0.000 0.202 204 Q C 2.271 178.162 176.000 -0.181 0.000 0.984 204 Q CA 2.210 57.921 55.803 -0.153 0.000 0.837 204 Q CB -0.223 28.417 28.738 -0.164 0.000 0.902 204 Q HN 0.443 nan 8.270 nan 0.000 0.423 205 K N -0.856 119.352 120.400 -0.320 0.000 1.991 205 K HA -0.131 4.189 4.320 -0.001 0.000 0.212 205 K C 1.903 178.268 176.600 -0.392 0.000 1.049 205 K CA 1.879 57.857 56.287 -0.516 0.000 0.932 205 K CB -0.235 31.628 32.500 -1.062 0.000 0.717 205 K HN 0.282 nan 8.250 nan 0.000 0.441 206 F N -0.105 119.857 119.950 0.020 0.000 2.698 206 F HA 0.181 4.708 4.527 -0.000 0.000 0.295 206 F C 1.116 176.948 175.800 0.053 0.000 1.124 206 F CA 0.016 58.041 58.000 0.041 0.000 1.426 206 F CB 0.610 39.644 39.000 0.056 0.000 1.120 206 F HN 0.174 nan 8.300 nan 0.000 0.583 207 G N 1.237 110.137 108.800 0.167 0.000 2.690 207 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.686 207 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.686 207 G C 0.266 175.271 174.900 0.175 0.000 1.277 207 G CA -0.089 45.087 45.100 0.127 0.000 0.799 207 G HN 0.354 nan 8.290 nan 0.000 0.613 208 E N 0.009 120.286 120.200 0.129 0.000 2.204 208 E HA -0.147 4.203 4.350 -0.001 0.000 0.195 208 E C 2.288 179.036 176.600 0.247 0.000 0.990 208 E CA 1.480 57.982 56.400 0.170 0.000 0.821 208 E CB -0.021 29.734 29.700 0.092 0.000 0.750 208 E HN 0.592 nan 8.360 nan 0.000 0.477 209 R N 0.146 120.759 120.500 0.189 0.000 2.055 209 R HA -0.089 4.251 4.340 -0.001 0.000 0.228 209 R C 2.387 178.804 176.300 0.195 0.000 1.143 209 R CA 1.351 57.556 56.100 0.176 0.000 0.945 209 R CB -0.485 29.895 30.300 0.135 0.000 0.841 209 R HN 0.225 nan 8.270 nan 0.000 0.429 210 A N 0.793 123.731 122.820 0.197 0.000 1.915 210 A HA -0.274 4.046 4.320 -0.001 0.000 0.220 210 A C 2.054 179.777 177.584 0.233 0.000 1.198 210 A CA 1.880 54.031 52.037 0.189 0.000 0.647 210 A CB -1.036 18.083 19.000 0.198 0.000 0.825 210 A HN 0.597 nan 8.150 nan 0.000 0.456 211 F N 0.429 120.474 119.950 0.158 0.000 2.134 211 F HA -0.133 4.393 4.527 -0.000 0.000 0.299 211 F C 2.185 178.111 175.800 0.210 0.000 1.097 211 F CA 2.152 60.249 58.000 0.162 0.000 1.264 211 F CB -0.105 38.996 39.000 0.167 0.000 1.001 211 F HN 0.133 nan 8.300 nan 0.000 0.479 212 K N 0.050 120.588 120.400 0.230 0.000 2.062 212 K HA -0.041 4.279 4.320 -0.001 0.000 0.205 212 K C 2.338 178.980 176.600 0.070 0.000 1.051 212 K CA 0.933 57.302 56.287 0.136 0.000 0.941 212 K CB -0.539 32.077 32.500 0.193 0.000 0.719 212 K HN 0.322 nan 8.250 nan 0.000 0.440 213 A N 1.046 123.929 122.820 0.106 0.000 1.892 213 A HA -0.227 4.093 4.320 -0.001 0.000 0.218 213 A C 1.940 179.548 177.584 0.040 0.000 1.188 213 A CA 1.574 53.662 52.037 0.086 0.000 0.631 213 A CB -1.001 18.055 19.000 0.093 0.000 0.822 213 A HN 0.586 nan 8.150 nan 0.000 0.447 214 W N 0.328 121.531 121.300 -0.162 0.000 2.333 214 W HA -0.156 4.504 4.660 -0.000 0.000 0.316 214 W C 2.579 178.939 176.519 -0.265 0.000 1.215 214 W CA 2.612 59.823 57.345 -0.224 0.000 1.278 214 W CB -0.260 29.030 29.460 -0.284 0.000 1.154 214 W HN 0.363 nan 8.180 nan 0.000 0.486 215 A N -0.366 122.448 122.820 -0.011 0.000 1.933 215 A HA -0.197 4.123 4.320 -0.001 0.000 0.218 215 A C 1.969 179.470 177.584 -0.138 0.000 1.175 215 A CA 2.240 54.210 52.037 -0.112 0.000 0.628 215 A CB -1.256 17.666 19.000 -0.129 0.000 0.814 215 A HN 0.211 nan 8.150 nan 0.000 0.444 216 V N -0.189 119.686 119.914 -0.065 0.000 2.332 216 V HA -0.281 3.839 4.120 -0.001 0.000 0.248 216 V C 3.053 179.108 176.094 -0.065 0.000 1.055 216 V CA 2.054 64.353 62.300 -0.001 0.000 1.038 216 V CB -1.235 30.646 31.823 0.097 0.000 0.651 216 V HN 0.634 nan 8.190 nan 0.000 0.450 217 A N 0.133 122.851 122.820 -0.171 0.000 1.873 217 A HA -0.241 4.079 4.320 -0.001 0.000 0.215 217 A C 2.307 179.670 177.584 -0.367 0.000 1.186 217 A CA 2.120 54.004 52.037 -0.254 0.000 0.616 217 A CB -0.530 18.286 19.000 -0.306 0.000 0.823 217 A HN 0.447 nan 8.150 nan 0.000 0.442 218 R N 0.010 120.160 120.500 -0.583 0.000 2.073 218 R HA -0.002 4.338 4.340 -0.001 0.000 0.234 218 R C 1.877 177.924 176.300 -0.423 0.000 1.134 218 R CA 1.772 57.493 56.100 -0.631 0.000 0.952 218 R CB -0.940 28.809 30.300 -0.918 0.000 0.850 218 R HN 0.489 nan 8.270 nan 0.000 0.433 219 L N -0.113 120.925 121.223 -0.307 0.000 2.141 219 L HA -0.083 4.256 4.340 -0.001 0.000 0.209 219 L C 2.301 179.072 176.870 -0.165 0.000 1.094 219 L CA 1.390 56.075 54.840 -0.259 0.000 0.763 219 L CB -0.350 41.705 42.059 -0.007 0.000 0.908 219 L HN 0.159 nan 8.230 nan 0.000 0.437 220 S N -0.593 115.074 115.700 -0.054 0.000 2.368 220 S HA -0.235 4.234 4.470 -0.001 0.000 0.225 220 S C 1.958 176.482 174.600 -0.127 0.000 1.030 220 S CA 1.212 59.426 58.200 0.024 0.000 0.999 220 S CB -0.215 63.023 63.200 0.064 0.000 0.844 220 S HN 0.456 nan 8.310 nan 0.000 0.459 221 Q N 0.339 120.011 119.800 -0.212 0.000 2.096 221 Q HA -0.081 4.259 4.340 -0.001 0.000 0.204 221 Q C 2.419 178.254 176.000 -0.274 0.000 0.982 221 Q CA 0.983 56.641 55.803 -0.242 0.000 0.850 221 Q CB -0.107 28.470 28.738 -0.268 0.000 0.901 221 Q HN 0.246 nan 8.270 nan 0.000 0.422 222 R N -0.196 120.051 120.500 -0.421 0.000 2.075 222 R HA -0.030 4.310 4.340 -0.001 0.000 0.232 222 R C 0.659 176.711 176.300 -0.413 0.000 1.126 222 R CA 1.109 56.834 56.100 -0.625 0.000 0.963 222 R CB -0.077 29.443 30.300 -1.300 0.000 0.858 222 R HN 0.259 nan 8.270 nan 0.000 0.435 223 F N 1.019 120.946 119.950 -0.038 0.000 2.597 223 F HA 0.282 4.809 4.527 -0.001 0.000 0.336 223 F C -1.439 174.367 175.800 0.011 0.000 1.432 223 F CA -1.895 56.099 58.000 -0.009 0.000 1.120 223 F CB 1.332 40.341 39.000 0.014 0.000 1.253 223 F HN -0.084 nan 8.300 nan 0.000 0.546 224 P HA -0.167 nan 4.420 nan 0.000 0.223 224 P C 0.907 178.235 177.300 0.048 0.000 1.144 224 P CA 1.318 64.418 63.100 0.001 0.000 0.783 224 P CB 0.214 31.861 31.700 -0.088 0.000 0.771 225 K N -0.534 119.919 120.400 0.090 0.000 2.361 225 K HA 0.192 4.512 4.320 -0.001 0.000 0.196 225 K C 1.149 177.826 176.600 0.128 0.000 1.039 225 K CA -0.067 56.270 56.287 0.083 0.000 1.001 225 K CB -0.012 32.518 32.500 0.051 0.000 0.795 225 K HN 0.065 nan 8.250 nan 0.000 0.495 226 A N 2.272 125.197 122.820 0.175 0.000 2.498 226 A HA -0.001 4.319 4.320 -0.001 0.000 0.239 226 A C -0.195 177.529 177.584 0.234 0.000 1.068 226 A CA -0.026 52.107 52.037 0.161 0.000 0.766 226 A CB 0.103 19.194 19.000 0.152 0.000 1.003 226 A HN 0.206 nan 8.150 nan 0.000 0.497 227 E N 0.557 120.834 120.200 0.128 0.000 2.398 227 E HA 0.070 4.420 4.350 -0.001 0.000 0.263 227 E C 0.403 176.930 176.600 -0.121 0.000 1.046 227 E CA -0.039 56.413 56.400 0.087 0.000 0.908 227 E CB 0.376 30.106 29.700 0.051 0.000 0.963 227 E HN 0.664 nan 8.360 nan 0.000 0.431 228 F N 2.891 122.488 119.950 -0.588 0.000 2.147 228 F HA -0.307 4.220 4.527 -0.000 0.000 0.301 228 F C 1.966 177.562 175.800 -0.339 0.000 1.084 228 F CA 1.979 59.451 58.000 -0.880 0.000 1.268 228 F CB 0.031 38.539 39.000 -0.819 0.000 1.009 228 F HN 0.568 nan 8.300 nan 0.000 0.486 229 A N -0.264 122.420 122.820 -0.226 0.000 1.898 229 A HA -0.217 4.103 4.320 -0.001 0.000 0.216 229 A C 2.011 179.453 177.584 -0.236 0.000 1.181 229 A CA 1.752 53.651 52.037 -0.231 0.000 0.620 229 A CB -0.869 18.106 19.000 -0.042 0.000 0.819 229 A HN 0.510 nan 8.150 nan 0.000 0.442 230 E N -0.198 119.913 120.200 -0.147 0.000 2.106 230 E HA -0.097 4.252 4.350 -0.001 0.000 0.192 230 E C 1.762 178.296 176.600 -0.109 0.000 0.984 230 E CA 1.356 57.711 56.400 -0.076 0.000 0.806 230 E CB -0.299 29.394 29.700 -0.011 0.000 0.750 230 E HN 0.229 nan 8.360 nan 0.000 0.458 231 V N 0.104 119.907 119.914 -0.185 0.000 2.343 231 V HA -0.234 3.886 4.120 -0.001 0.000 0.247 231 V C 2.416 178.366 176.094 -0.241 0.000 1.051 231 V CA 1.892 64.109 62.300 -0.138 0.000 1.036 231 V CB -0.666 31.107 31.823 -0.083 0.000 0.654 231 V HN 0.365 nan 8.190 nan 0.000 0.451 232 S N -0.656 114.741 115.700 -0.505 0.000 2.368 232 S HA -0.230 4.239 4.470 -0.001 0.000 0.224 232 S C 2.212 176.679 174.600 -0.222 0.000 1.029 232 S CA 1.730 59.662 58.200 -0.446 0.000 0.988 232 S CB -0.283 62.482 63.200 -0.726 0.000 0.838 232 S HN 0.488 nan 8.310 nan 0.000 0.462 233 K N 1.185 121.468 120.400 -0.196 0.000 2.026 233 K HA -0.046 4.274 4.320 -0.001 0.000 0.208 233 K C 2.160 178.683 176.600 -0.129 0.000 1.048 233 K CA 1.504 57.703 56.287 -0.148 0.000 0.929 233 K CB -0.827 31.584 32.500 -0.149 0.000 0.713 233 K HN 0.485 nan 8.250 nan 0.000 0.439 234 L N 1.118 122.290 121.223 -0.085 0.000 2.043 234 L HA -0.206 4.134 4.340 -0.001 0.000 0.212 234 L C 2.612 179.490 176.870 0.013 0.000 1.075 234 L CA 1.620 56.450 54.840 -0.017 0.000 0.752 234 L CB -0.742 41.362 42.059 0.075 0.000 0.891 234 L HN 0.127 nan 8.230 nan 0.000 0.432 235 V N -2.516 117.399 119.914 0.001 0.000 2.548 235 V HA -0.178 3.941 4.120 -0.001 0.000 0.249 235 V C 2.243 178.385 176.094 0.079 0.000 1.055 235 V CA 2.188 64.517 62.300 0.048 0.000 1.065 235 V CB -0.241 31.600 31.823 0.029 0.000 0.681 235 V HN 0.407 nan 8.190 nan 0.000 0.462 236 T N 0.774 115.342 114.554 0.023 0.000 2.746 236 T HA -0.131 4.219 4.350 -0.001 0.000 0.267 236 T C 1.551 176.272 174.700 0.035 0.000 1.039 236 T CA 2.064 64.183 62.100 0.032 0.000 1.142 236 T CB -0.413 68.447 68.868 -0.013 0.000 0.866 236 T HN 0.609 nan 8.240 nan 0.000 0.444 237 D N 0.769 121.169 120.400 -0.001 0.000 2.149 237 D HA 0.041 4.680 4.640 -0.001 0.000 0.201 237 D C 2.002 178.337 176.300 0.058 0.000 0.972 237 D CA 0.371 54.367 54.000 -0.006 0.000 0.835 237 D CB -0.438 40.319 40.800 -0.072 0.000 0.966 237 D HN 0.238 nan 8.370 nan 0.000 0.476 238 L N 0.516 121.801 121.223 0.102 0.000 2.046 238 L HA -0.175 4.165 4.340 -0.001 0.000 0.208 238 L C 2.081 179.117 176.870 0.276 0.000 1.077 238 L CA 1.250 56.195 54.840 0.175 0.000 0.747 238 L CB -0.328 41.844 42.059 0.188 0.000 0.896 238 L HN 0.003 nan 8.230 nan 0.000 0.432 239 T N -0.389 114.356 114.554 0.317 0.000 2.684 239 T HA -0.283 4.067 4.350 -0.001 0.000 0.267 239 T C 1.787 176.543 174.700 0.093 0.000 1.036 239 T CA 1.989 64.285 62.100 0.327 0.000 1.148 239 T CB -0.155 68.892 68.868 0.298 0.000 0.863 239 T HN 0.328 nan 8.240 nan 0.000 0.436 240 K N 0.773 121.214 120.400 0.069 0.000 2.097 240 K HA -0.047 4.272 4.320 -0.001 0.000 0.205 240 K C 2.134 178.743 176.600 0.014 0.000 1.050 240 K CA 0.976 57.272 56.287 0.015 0.000 0.938 240 K CB -0.414 32.092 32.500 0.011 0.000 0.718 240 K HN 0.118 nan 8.250 nan 0.000 0.442 241 V N 1.049 120.995 119.914 0.053 0.000 2.261 241 V HA -0.252 3.867 4.120 -0.001 0.000 0.246 241 V C 2.397 178.520 176.094 0.049 0.000 1.047 241 V CA 2.264 64.594 62.300 0.050 0.000 1.015 241 V CB -0.763 31.098 31.823 0.064 0.000 0.642 241 V HN 0.558 nan 8.190 nan 0.000 0.446 242 H N 0.742 119.774 119.070 -0.063 0.000 2.353 242 H HA -0.177 4.379 4.556 -0.001 0.000 0.298 242 H C 2.281 177.496 175.328 -0.188 0.000 1.103 242 H CA 2.476 58.437 56.048 -0.145 0.000 1.293 242 H CB -0.602 28.997 29.762 -0.272 0.000 1.372 242 H HN 0.384 nan 8.280 nan 0.000 0.501 243 T N 0.994 115.406 114.554 -0.236 0.000 2.788 243 T HA -0.097 4.252 4.350 -0.001 0.000 0.268 243 T C 1.714 176.331 174.700 -0.138 0.000 1.044 243 T CA 1.480 63.413 62.100 -0.278 0.000 1.139 243 T CB 0.009 68.756 68.868 -0.202 0.000 0.867 243 T HN 0.518 nan 8.240 nan 0.000 0.454 244 E N 0.393 120.556 120.200 -0.062 0.000 2.076 244 E HA -0.042 4.308 4.350 -0.001 0.000 0.190 244 E C 2.570 179.193 176.600 0.038 0.000 0.979 244 E CA 0.730 57.130 56.400 0.001 0.000 0.807 244 E CB -0.361 29.349 29.700 0.017 0.000 0.761 244 E HN 0.477 nan 8.360 nan 0.000 0.454 245 c N 0.936 119.536 118.600 0.000 0.000 2.429 245 c HA -0.141 4.429 4.570 -0.001 0.000 0.277 245 c C 3.012 177.107 174.090 0.008 0.000 1.262 245 c CA 0.321 56.655 56.329 0.008 0.000 1.733 245 c CB -1.000 41.481 42.510 -0.049 0.000 2.010 245 c HN 0.539 nan 8.230 nan 0.000 0.483 246 c N -0.678 117.877 118.600 -0.076 0.000 2.422 246 c HA -0.141 4.429 4.570 -0.001 0.000 0.279 246 c C 2.681 176.744 174.090 -0.046 0.000 1.305 246 c CA 1.020 57.280 56.329 -0.114 0.000 1.757 246 c CB -1.875 40.468 42.510 -0.277 0.000 1.962 246 c HN 0.705 nan 8.230 nan 0.000 0.499 247 H N 0.448 119.473 119.070 -0.076 0.000 2.489 247 H HA -0.037 4.518 4.556 -0.000 0.000 0.293 247 H C 1.925 177.285 175.328 0.053 0.000 1.066 247 H CA 1.653 57.685 56.048 -0.027 0.000 1.305 247 H CB -0.143 29.607 29.762 -0.020 0.000 1.386 247 H HN 0.549 nan 8.280 nan 0.000 0.551 248 G N 0.790 109.635 108.800 0.074 0.000 2.195 248 G HA2 -0.234 3.725 3.960 -0.001 0.000 0.224 248 G HA3 -0.234 3.725 3.960 -0.001 0.000 0.224 248 G C -0.003 175.001 174.900 0.174 0.000 0.990 248 G CA 0.250 45.426 45.100 0.128 0.000 0.639 248 G HN 0.556 nan 8.290 nan 0.000 0.514 249 D N 1.323 121.853 120.400 0.217 0.000 2.344 249 D HA 0.300 4.939 4.640 -0.001 0.000 0.253 249 D C 1.740 178.164 176.300 0.207 0.000 1.255 249 D CA -0.356 53.792 54.000 0.246 0.000 0.894 249 D CB 0.923 41.903 40.800 0.299 0.000 1.067 249 D HN 0.116 nan 8.370 nan 0.000 0.492 250 L N 5.834 127.149 121.223 0.153 0.000 1.978 250 L HA -0.248 4.091 4.340 -0.001 0.000 0.218 250 L C 2.031 178.970 176.870 0.114 0.000 1.075 250 L CA 1.854 56.771 54.840 0.129 0.000 0.767 250 L CB -0.742 41.311 42.059 -0.009 0.000 0.890 250 L HN 0.588 nan 8.230 nan 0.000 0.434 251 L N -0.653 120.575 121.223 0.009 0.000 2.013 251 L HA -0.218 4.122 4.340 -0.001 0.000 0.212 251 L C 2.677 179.626 176.870 0.132 0.000 1.073 251 L CA 1.465 56.310 54.840 0.009 0.000 0.753 251 L CB -0.937 41.003 42.059 -0.199 0.000 0.890 251 L HN 0.353 nan 8.230 nan 0.000 0.432 252 E N -0.476 119.845 120.200 0.201 0.000 2.077 252 E HA -0.250 4.100 4.350 -0.001 0.000 0.193 252 E C 2.300 178.980 176.600 0.134 0.000 0.989 252 E CA 1.560 58.063 56.400 0.172 0.000 0.800 252 E CB -0.854 28.945 29.700 0.165 0.000 0.746 252 E HN 0.557 nan 8.360 nan 0.000 0.452 253 c N 1.137 119.824 118.600 0.146 0.000 2.432 253 c HA -0.026 4.544 4.570 -0.001 0.000 0.277 253 c C 2.924 177.089 174.090 0.126 0.000 1.249 253 c CA 1.406 57.798 56.329 0.105 0.000 1.725 253 c CB -0.987 41.591 42.510 0.112 0.000 2.028 253 c HN 0.467 nan 8.230 nan 0.000 0.477 254 A N 0.047 123.001 122.820 0.223 0.000 1.930 254 A HA -0.101 4.218 4.320 -0.001 0.000 0.217 254 A C 1.888 179.566 177.584 0.157 0.000 1.175 254 A CA 1.995 54.181 52.037 0.249 0.000 0.627 254 A CB -0.674 18.471 19.000 0.242 0.000 0.815 254 A HN 0.650 nan 8.150 nan 0.000 0.443 255 D N 0.528 121.005 120.400 0.129 0.000 2.104 255 D HA -0.141 4.498 4.640 -0.001 0.000 0.194 255 D C 1.294 177.652 176.300 0.097 0.000 0.994 255 D CA 1.563 55.629 54.000 0.110 0.000 0.830 255 D CB -0.365 40.499 40.800 0.107 0.000 0.959 255 D HN 0.379 nan 8.370 nan 0.000 0.452 256 D N 0.219 120.669 120.400 0.084 0.000 2.117 256 D HA -0.065 4.574 4.640 -0.001 0.000 0.198 256 D C 2.199 178.538 176.300 0.066 0.000 0.982 256 D CA 0.552 54.591 54.000 0.065 0.000 0.828 256 D CB -0.162 40.667 40.800 0.049 0.000 0.967 256 D HN 0.168 nan 8.370 nan 0.000 0.464 257 R N 0.553 121.093 120.500 0.066 0.000 2.081 257 R HA -0.037 4.303 4.340 -0.001 0.000 0.235 257 R C 2.233 178.589 176.300 0.093 0.000 1.131 257 R CA 1.291 57.431 56.100 0.068 0.000 0.960 257 R CB -0.204 30.127 30.300 0.052 0.000 0.856 257 R HN 0.106 nan 8.270 nan 0.000 0.436 258 A N 1.263 124.147 122.820 0.107 0.000 1.897 258 A HA -0.155 4.165 4.320 -0.001 0.000 0.215 258 A C 1.483 179.128 177.584 0.102 0.000 1.181 258 A CA 1.567 53.669 52.037 0.108 0.000 0.620 258 A CB -0.291 18.776 19.000 0.113 0.000 0.821 258 A HN 0.153 nan 8.150 nan 0.000 0.443 259 D N -0.281 120.178 120.400 0.097 0.000 2.123 259 D HA -0.151 4.489 4.640 -0.001 0.000 0.196 259 D C 1.768 178.134 176.300 0.110 0.000 0.992 259 D CA 1.256 55.315 54.000 0.097 0.000 0.833 259 D CB -0.369 40.478 40.800 0.079 0.000 0.954 259 D HN 0.351 nan 8.370 nan 0.000 0.455 260 L N 0.760 122.042 121.223 0.098 0.000 2.072 260 L HA 0.059 4.399 4.340 -0.001 0.000 0.205 260 L C 2.088 179.044 176.870 0.142 0.000 1.079 260 L CA 1.455 56.361 54.840 0.110 0.000 0.752 260 L CB -1.006 41.103 42.059 0.083 0.000 0.906 260 L HN -0.028 nan 8.230 nan 0.000 0.436 261 A N -0.180 122.707 122.820 0.112 0.000 1.873 261 A HA -0.293 4.027 4.320 -0.001 0.000 0.218 261 A C 2.345 179.979 177.584 0.083 0.000 1.193 261 A CA 2.308 54.401 52.037 0.093 0.000 0.629 261 A CB -0.595 18.456 19.000 0.086 0.000 0.826 261 A HN 0.509 nan 8.150 nan 0.000 0.447 262 K N -1.883 118.574 120.400 0.094 0.000 2.009 262 K HA -0.206 4.113 4.320 -0.001 0.000 0.210 262 K C 2.029 178.674 176.600 0.076 0.000 1.049 262 K CA 1.897 58.231 56.287 0.078 0.000 0.929 262 K CB -0.498 32.057 32.500 0.093 0.000 0.714 262 K HN 0.594 nan 8.250 nan 0.000 0.440 263 Y N 1.707 122.012 120.300 0.009 0.000 2.114 263 Y HA -0.271 4.279 4.550 -0.001 0.000 0.282 263 Y C 1.938 177.820 175.900 -0.031 0.000 1.165 263 Y CA 1.586 59.682 58.100 -0.008 0.000 1.148 263 Y CB -0.190 38.267 38.460 -0.005 0.000 0.972 263 Y HN 0.000 nan 8.280 nan 0.000 0.504 264 I N -1.091 119.534 120.570 0.091 0.000 2.226 264 I HA -0.389 3.780 4.170 -0.001 0.000 0.245 264 I C 2.349 178.374 176.117 -0.153 0.000 1.100 264 I CA 1.343 62.617 61.300 -0.043 0.000 1.374 264 I CB -0.548 37.455 38.000 0.005 0.000 1.057 264 I HN 0.353 nan 8.210 nan 0.000 0.413 265 c N 0.285 118.830 118.600 -0.091 0.000 2.446 265 c HA -0.086 4.484 4.570 -0.001 0.000 0.279 265 c C 2.431 176.450 174.090 -0.118 0.000 1.366 265 c CA 0.477 56.755 56.329 -0.086 0.000 1.763 265 c CB -1.097 41.394 42.510 -0.031 0.000 1.929 265 c HN 0.467 nan 8.230 nan 0.000 0.509 266 E N 0.730 120.832 120.200 -0.162 0.000 2.481 266 E HA 0.004 4.353 4.350 -0.001 0.000 0.195 266 E C 0.744 177.193 176.600 -0.251 0.000 1.047 266 E CA 0.406 56.702 56.400 -0.172 0.000 0.867 266 E CB 0.005 29.617 29.700 -0.147 0.000 0.858 266 E HN 0.620 nan 8.360 nan 0.000 0.513 267 N N 0.574 119.066 118.700 -0.346 0.000 2.480 267 N HA 0.071 4.811 4.740 -0.001 0.000 0.281 267 N C 0.379 175.745 175.510 -0.239 0.000 1.381 267 N CA 0.024 52.870 53.050 -0.340 0.000 0.903 267 N CB 0.764 38.913 38.487 -0.563 0.000 1.274 267 N HN 0.183 nan 8.380 nan 0.000 0.505 268 Q N 0.394 120.086 119.800 -0.181 0.000 2.135 268 Q HA -0.138 4.202 4.340 -0.001 0.000 0.204 268 Q C 0.555 176.480 176.000 -0.125 0.000 0.981 268 Q CA 1.388 57.101 55.803 -0.150 0.000 0.856 268 Q CB 0.135 28.811 28.738 -0.103 0.000 0.902 268 Q HN 0.240 nan 8.270 nan 0.000 0.425 269 D N -0.327 120.012 120.400 -0.101 0.000 2.264 269 D HA -0.101 4.539 4.640 -0.001 0.000 0.208 269 D C 1.568 177.829 176.300 -0.065 0.000 0.966 269 D CA 1.236 55.193 54.000 -0.070 0.000 0.864 269 D CB -0.054 40.713 40.800 -0.055 0.000 0.933 269 D HN 0.181 nan 8.370 nan 0.000 0.499 270 S N -1.232 114.416 115.700 -0.086 0.000 2.572 270 S HA 0.236 4.706 4.470 -0.001 0.000 0.228 270 S C 1.225 175.777 174.600 -0.081 0.000 0.963 270 S CA -0.326 57.836 58.200 -0.063 0.000 0.939 270 S CB 0.042 63.208 63.200 -0.057 0.000 0.804 270 S HN 0.165 nan 8.310 nan 0.000 0.480 271 I N -0.481 120.006 120.570 -0.138 0.000 4.046 271 I HA 0.351 4.521 4.170 -0.001 0.000 0.285 271 I C 0.295 176.291 176.117 -0.201 0.000 1.183 271 I CA -0.014 61.142 61.300 -0.240 0.000 1.337 271 I CB 1.012 38.745 38.000 -0.446 0.000 1.478 271 I HN 0.300 nan 8.210 nan 0.000 0.452 272 S N -0.269 115.342 115.700 -0.148 0.000 2.583 272 S HA 0.116 4.585 4.470 -0.001 0.000 0.294 272 S C 0.353 174.937 174.600 -0.027 0.000 1.121 272 S CA -0.184 57.994 58.200 -0.037 0.000 0.910 272 S CB 1.161 64.367 63.200 0.010 0.000 1.102 272 S HN 0.252 nan 8.310 nan 0.000 0.451 273 S N 3.316 119.017 115.700 0.003 0.000 2.607 273 S HA 0.149 4.618 4.470 -0.001 0.000 0.224 273 S C 0.800 175.404 174.600 0.008 0.000 0.969 273 S CA 0.115 58.313 58.200 -0.003 0.000 0.927 273 S CB -0.142 63.056 63.200 -0.002 0.000 0.772 273 S HN 0.558 nan 8.310 nan 0.000 0.533 274 K N 0.816 121.233 120.400 0.028 0.000 2.397 274 K HA 0.361 4.681 4.320 -0.001 0.000 0.202 274 K C 0.679 177.299 176.600 0.033 0.000 1.022 274 K CA 0.038 56.345 56.287 0.034 0.000 1.141 274 K CB 0.104 32.636 32.500 0.052 0.000 0.857 274 K HN 0.452 nan 8.250 nan 0.000 0.514 275 L N 0.084 121.316 121.223 0.014 0.000 2.607 275 L HA 0.136 4.476 4.340 -0.001 0.000 0.228 275 L C 2.217 179.087 176.870 0.000 0.000 1.123 275 L CA 0.095 54.940 54.840 0.007 0.000 0.890 275 L CB -0.064 41.979 42.059 -0.026 0.000 1.103 275 L HN 0.041 nan 8.230 nan 0.000 0.468 276 K N 1.166 121.565 120.400 -0.002 0.000 2.034 276 K HA -0.262 4.058 4.320 -0.001 0.000 0.214 276 K C 1.820 178.425 176.600 0.007 0.000 1.051 276 K CA 1.998 58.284 56.287 -0.001 0.000 0.931 276 K CB 0.071 32.570 32.500 -0.001 0.000 0.715 276 K HN 0.351 nan 8.250 nan 0.000 0.446 277 E N -0.258 119.950 120.200 0.014 0.000 2.047 277 E HA -0.180 4.170 4.350 -0.001 0.000 0.191 277 E C 2.234 178.849 176.600 0.025 0.000 0.987 277 E CA 1.338 57.750 56.400 0.021 0.000 0.799 277 E CB -0.110 29.604 29.700 0.025 0.000 0.752 277 E HN 0.428 nan 8.360 nan 0.000 0.449 278 c N 0.348 118.963 118.600 0.025 0.000 2.403 278 c HA -0.170 4.399 4.570 -0.001 0.000 0.277 278 c C 2.607 176.713 174.090 0.028 0.000 1.248 278 c CA 0.325 56.672 56.329 0.030 0.000 1.762 278 c CB -0.765 41.761 42.510 0.027 0.000 2.014 278 c HN 0.568 nan 8.230 nan 0.000 0.486 279 c N 0.230 118.840 118.600 0.017 0.000 2.626 279 c HA 0.052 4.622 4.570 -0.001 0.000 0.266 279 c C 2.168 176.267 174.090 0.014 0.000 1.317 279 c CA 0.388 56.723 56.329 0.011 0.000 1.716 279 c CB -1.596 40.910 42.510 -0.007 0.000 1.819 279 c HN 0.636 nan 8.230 nan 0.000 0.578 280 E N 0.320 120.531 120.200 0.019 0.000 2.364 280 E HA 0.041 4.391 4.350 -0.001 0.000 0.196 280 E C 0.632 177.249 176.600 0.028 0.000 0.990 280 E CA 0.111 56.523 56.400 0.020 0.000 0.886 280 E CB 0.300 30.011 29.700 0.018 0.000 0.866 280 E HN 0.572 nan 8.360 nan 0.000 0.493 281 K N 2.140 122.561 120.400 0.035 0.000 2.397 281 K HA 0.047 4.367 4.320 -0.001 0.000 0.265 281 K C -2.371 174.253 176.600 0.040 0.000 0.982 281 K CA -1.173 55.140 56.287 0.043 0.000 0.931 281 K CB -0.144 32.389 32.500 0.056 0.000 0.943 281 K HN -0.073 nan 8.250 nan 0.000 0.501 282 P HA -0.048 nan 4.420 nan 0.000 0.270 282 P C 0.770 178.095 177.300 0.042 0.000 1.223 282 P CA -0.144 62.975 63.100 0.032 0.000 0.785 282 P CB 0.458 32.172 31.700 0.023 0.000 0.923 283 L N 1.674 122.920 121.223 0.038 0.000 2.064 283 L HA -0.249 4.091 4.340 -0.001 0.000 0.216 283 L C 2.023 178.932 176.870 0.065 0.000 1.077 283 L CA 1.779 56.651 54.840 0.052 0.000 0.766 283 L CB -0.660 41.426 42.059 0.045 0.000 0.890 283 L HN 0.300 nan 8.230 nan 0.000 0.435 284 L N -0.513 120.741 121.223 0.052 0.000 2.141 284 L HA -0.178 4.162 4.340 -0.001 0.000 0.209 284 L C 1.957 178.871 176.870 0.074 0.000 1.094 284 L CA 1.899 56.772 54.840 0.055 0.000 0.763 284 L CB -0.413 41.665 42.059 0.032 0.000 0.908 284 L HN 0.348 nan 8.230 nan 0.000 0.437 285 E N -1.430 118.815 120.200 0.075 0.000 2.489 285 E HA -0.034 4.316 4.350 -0.001 0.000 0.204 285 E C 1.652 178.315 176.600 0.106 0.000 1.006 285 E CA -0.091 56.361 56.400 0.087 0.000 0.936 285 E CB 0.336 30.090 29.700 0.090 0.000 1.002 285 E HN 0.406 nan 8.360 nan 0.000 0.488 286 K N 1.375 121.830 120.400 0.090 0.000 1.991 286 K HA -0.192 4.128 4.320 -0.001 0.000 0.212 286 K C 2.318 178.967 176.600 0.083 0.000 1.049 286 K CA 2.028 58.361 56.287 0.078 0.000 0.932 286 K CB -0.058 32.483 32.500 0.069 0.000 0.717 286 K HN 0.120 nan 8.250 nan 0.000 0.441 287 S N 0.050 115.813 115.700 0.104 0.000 2.383 287 S HA -0.207 4.263 4.470 -0.001 0.000 0.227 287 S C 2.143 176.792 174.600 0.082 0.000 1.026 287 S CA 1.100 59.358 58.200 0.097 0.000 0.981 287 S CB -0.633 62.634 63.200 0.112 0.000 0.818 287 S HN 0.480 nan 8.310 nan 0.000 0.472 288 H N 0.524 119.600 119.070 0.010 0.000 2.321 288 H HA -0.116 4.440 4.556 -0.000 0.000 0.300 288 H C 2.530 177.792 175.328 -0.110 0.000 1.087 288 H CA 1.835 57.844 56.048 -0.064 0.000 1.319 288 H CB -0.786 28.885 29.762 -0.152 0.000 1.379 288 H HN 0.580 nan 8.280 nan 0.000 0.501 289 c N 0.801 119.363 118.600 -0.064 0.000 2.413 289 c HA -0.117 4.453 4.570 -0.001 0.000 0.276 289 c C 3.010 177.041 174.090 -0.098 0.000 1.236 289 c CA 0.979 57.250 56.329 -0.096 0.000 1.735 289 c CB -1.392 41.131 42.510 0.021 0.000 2.031 289 c HN 0.592 nan 8.230 nan 0.000 0.474 290 I N 1.421 121.973 120.570 -0.029 0.000 2.226 290 I HA -0.162 4.008 4.170 -0.001 0.000 0.245 290 I C 2.809 178.932 176.117 0.011 0.000 1.100 290 I CA 1.681 62.996 61.300 0.025 0.000 1.374 290 I CB -0.577 37.464 38.000 0.069 0.000 1.057 290 I HN 0.402 nan 8.210 nan 0.000 0.413 291 A N -0.428 122.364 122.820 -0.048 0.000 2.125 291 A HA -0.160 4.160 4.320 -0.001 0.000 0.219 291 A C 2.133 179.640 177.584 -0.128 0.000 1.156 291 A CA 1.366 53.363 52.037 -0.067 0.000 0.671 291 A CB -0.354 18.606 19.000 -0.068 0.000 0.794 291 A HN 0.401 nan 8.150 nan 0.000 0.459 292 E N -0.681 119.405 120.200 -0.189 0.000 2.476 292 E HA 0.116 4.466 4.350 -0.001 0.000 0.199 292 E C 0.219 176.757 176.600 -0.103 0.000 1.021 292 E CA -0.183 56.108 56.400 -0.182 0.000 0.907 292 E CB 0.403 29.928 29.700 -0.291 0.000 0.974 292 E HN 0.328 nan 8.360 nan 0.000 0.489 293 V N 3.050 122.926 119.914 -0.065 0.000 3.032 293 V HA -0.086 4.034 4.120 -0.001 0.000 0.307 293 V C 0.442 176.508 176.094 -0.047 0.000 1.097 293 V CA 0.093 62.380 62.300 -0.022 0.000 1.191 293 V CB 0.698 32.551 31.823 0.050 0.000 0.964 293 V HN 0.214 nan 8.190 nan 0.000 0.494 294 E N 4.855 125.036 120.200 -0.033 0.000 2.392 294 E HA 0.132 4.481 4.350 -0.001 0.000 0.259 294 E C -0.135 176.425 176.600 -0.066 0.000 1.108 294 E CA -0.520 55.847 56.400 -0.054 0.000 0.916 294 E CB 0.367 30.045 29.700 -0.037 0.000 0.989 294 E HN 0.777 nan 8.360 nan 0.000 0.432 295 N N 1.572 120.209 118.700 -0.104 0.000 2.412 295 N HA -0.073 4.666 4.740 -0.001 0.000 0.254 295 N C -0.352 175.125 175.510 -0.055 0.000 1.232 295 N CA -0.015 52.965 53.050 -0.118 0.000 0.880 295 N CB 0.358 38.760 38.487 -0.143 0.000 1.076 295 N HN 0.481 nan 8.380 nan 0.000 0.458 296 D N 1.350 121.742 120.400 -0.014 0.000 2.361 296 D HA -0.008 4.632 4.640 -0.001 0.000 0.239 296 D C -0.119 176.162 176.300 -0.031 0.000 1.200 296 D CA -0.033 53.973 54.000 0.011 0.000 0.915 296 D CB 0.641 41.483 40.800 0.070 0.000 1.170 296 D HN 0.309 nan 8.370 nan 0.000 0.444 297 E N 0.948 121.130 120.200 -0.030 0.000 2.383 297 E HA 0.142 4.492 4.350 -0.001 0.000 0.264 297 E C 0.186 176.753 176.600 -0.055 0.000 1.050 297 E CA -0.156 56.214 56.400 -0.050 0.000 0.896 297 E CB 0.444 30.119 29.700 -0.042 0.000 0.982 297 E HN 0.453 nan 8.360 nan 0.000 0.424 298 M N 0.461 120.011 119.600 -0.084 0.000 2.227 298 M HA 0.476 4.956 4.480 -0.001 0.000 0.316 298 M C -2.260 173.996 176.300 -0.074 0.000 1.144 298 M CA -1.765 53.478 55.300 -0.094 0.000 1.121 298 M CB -0.197 32.315 32.600 -0.147 0.000 1.440 298 M HN -0.006 nan 8.290 nan 0.000 0.473 299 P HA 0.279 nan 4.420 nan 0.000 0.274 299 P C -1.069 176.193 177.300 -0.063 0.000 1.237 299 P CA -0.393 62.678 63.100 -0.049 0.000 0.793 299 P CB 0.490 32.171 31.700 -0.033 0.000 0.977 300 A N 1.625 124.415 122.820 -0.050 0.000 2.450 300 A HA 0.213 4.532 4.320 -0.001 0.000 0.255 300 A C 0.503 178.056 177.584 -0.052 0.000 1.096 300 A CA 0.115 52.120 52.037 -0.052 0.000 0.778 300 A CB -0.747 18.229 19.000 -0.040 0.000 1.031 300 A HN 0.684 nan 8.150 nan 0.000 0.494 301 D N 0.598 120.961 120.400 -0.062 0.000 2.697 301 D HA -0.140 4.500 4.640 -0.001 0.000 0.238 301 D C -0.210 176.057 176.300 -0.055 0.000 1.152 301 D CA 0.856 54.822 54.000 -0.057 0.000 0.666 301 D CB -1.153 39.623 40.800 -0.040 0.000 1.037 301 D HN 0.589 nan 8.370 nan 0.000 0.423 302 L N 0.800 121.979 121.223 -0.075 0.000 2.485 302 L HA 0.154 4.494 4.340 -0.001 0.000 0.275 302 L C -0.845 175.988 176.870 -0.060 0.000 1.207 302 L CA -1.058 53.740 54.840 -0.071 0.000 0.855 302 L CB -0.037 41.957 42.059 -0.109 0.000 1.114 302 L HN 0.111 nan 8.230 nan 0.000 0.485 303 P HA 0.009 nan 4.420 nan 0.000 0.271 303 P C -0.446 176.833 177.300 -0.035 0.000 1.238 303 P CA -0.464 62.620 63.100 -0.027 0.000 0.794 303 P CB 0.317 32.012 31.700 -0.009 0.000 0.959 304 S N -0.207 115.482 115.700 -0.019 0.000 2.589 304 S HA 0.071 4.541 4.470 -0.001 0.000 0.265 304 S C 1.124 175.735 174.600 0.019 0.000 1.342 304 S CA -0.417 57.779 58.200 -0.007 0.000 1.005 304 S CB -0.019 63.185 63.200 0.008 0.000 0.909 304 S HN 0.263 nan 8.310 nan 0.000 0.555 305 L N 1.556 122.812 121.223 0.055 0.000 2.552 305 L HA 0.215 4.554 4.340 -0.001 0.000 0.227 305 L C 2.524 179.486 176.870 0.154 0.000 1.146 305 L CA 1.138 56.081 54.840 0.172 0.000 0.858 305 L CB -1.043 41.151 42.059 0.225 0.000 0.969 305 L HN 0.959 nan 8.230 nan 0.000 0.451 306 A N -0.361 122.432 122.820 -0.046 0.000 1.898 306 A HA -0.095 4.225 4.320 -0.001 0.000 0.216 306 A C 2.539 180.105 177.584 -0.031 0.000 1.181 306 A CA 1.410 53.343 52.037 -0.172 0.000 0.620 306 A CB -0.725 18.173 19.000 -0.170 0.000 0.819 306 A HN 0.359 nan 8.150 nan 0.000 0.442 307 A N 0.433 123.254 122.820 0.001 0.000 1.859 307 A HA -0.281 4.039 4.320 -0.001 0.000 0.218 307 A C 1.767 179.340 177.584 -0.017 0.000 1.209 307 A CA 2.244 54.284 52.037 0.006 0.000 0.639 307 A CB -0.838 18.163 19.000 0.001 0.000 0.835 307 A HN 0.444 nan 8.150 nan 0.000 0.450 308 D N -1.880 118.467 120.400 -0.089 0.000 2.234 308 D HA 0.039 4.679 4.640 -0.001 0.000 0.205 308 D C 1.236 177.266 176.300 -0.449 0.000 0.962 308 D CA 0.922 54.720 54.000 -0.336 0.000 0.855 308 D CB -0.150 40.243 40.800 -0.678 0.000 0.951 308 D HN 0.549 nan 8.370 nan 0.000 0.500 309 F N -1.036 118.995 119.950 0.136 0.000 2.724 309 F HA 0.139 4.665 4.527 -0.000 0.000 0.306 309 F C 1.792 177.673 175.800 0.135 0.000 1.100 309 F CA -0.057 58.066 58.000 0.205 0.000 1.255 309 F CB 0.836 39.920 39.000 0.141 0.000 1.072 309 F HN -0.206 nan 8.300 nan 0.000 0.589 310 V N -1.934 118.065 119.914 0.142 0.000 3.165 310 V HA 0.080 4.200 4.120 -0.001 0.000 0.231 310 V C 1.771 178.002 176.094 0.227 0.000 1.365 310 V CA 0.394 62.757 62.300 0.105 0.000 1.286 310 V CB 0.214 31.991 31.823 -0.078 0.000 1.081 310 V HN -0.051 nan 8.190 nan 0.000 0.477 311 E N 0.822 121.117 120.200 0.158 0.000 2.060 311 E HA 0.055 4.404 4.350 -0.001 0.000 0.189 311 E C 1.399 178.116 176.600 0.195 0.000 0.974 311 E CA 0.690 57.211 56.400 0.202 0.000 0.808 311 E CB -0.190 29.573 29.700 0.104 0.000 0.768 311 E HN 0.407 nan 8.360 nan 0.000 0.453 312 S N 1.565 117.339 115.700 0.123 0.000 2.571 312 S HA -0.124 4.346 4.470 -0.001 0.000 0.298 312 S C 1.297 175.983 174.600 0.144 0.000 1.280 312 S CA 0.283 58.539 58.200 0.094 0.000 1.052 312 S CB 0.552 63.779 63.200 0.045 0.000 0.799 312 S HN 0.258 nan 8.310 nan 0.000 0.501 313 K N 2.584 123.039 120.400 0.091 0.000 2.288 313 K HA -0.047 4.273 4.320 -0.001 0.000 0.201 313 K C 0.062 176.713 176.600 0.084 0.000 1.048 313 K CA 1.221 57.561 56.287 0.088 0.000 0.956 313 K CB -0.150 32.371 32.500 0.034 0.000 0.746 313 K HN 0.483 nan 8.250 nan 0.000 0.461 314 D N 1.581 122.012 120.400 0.052 0.000 2.352 314 D HA 0.037 4.676 4.640 -0.001 0.000 0.236 314 D C 1.422 177.704 176.300 -0.030 0.000 1.148 314 D CA 0.015 54.021 54.000 0.010 0.000 0.844 314 D CB 0.544 41.339 40.800 -0.009 0.000 0.933 314 D HN -0.005 nan 8.370 nan 0.000 0.507 315 V N -0.195 119.734 119.914 0.025 0.000 2.244 315 V HA -0.268 3.851 4.120 -0.001 0.000 0.244 315 V C 2.529 178.515 176.094 -0.181 0.000 1.042 315 V CA 1.300 63.563 62.300 -0.061 0.000 1.006 315 V CB -0.395 31.397 31.823 -0.050 0.000 0.641 315 V HN 0.367 nan 8.190 nan 0.000 0.446 316 c N -0.309 118.277 118.600 -0.022 0.000 2.425 316 c HA -0.148 4.422 4.570 -0.001 0.000 0.277 316 c C 2.789 176.859 174.090 -0.033 0.000 1.280 316 c CA 1.307 57.645 56.329 0.015 0.000 1.744 316 c CB -0.921 41.651 42.510 0.103 0.000 1.989 316 c HN 0.583 nan 8.230 nan 0.000 0.491 317 K N 1.046 121.411 120.400 -0.057 0.000 2.002 317 K HA -0.166 4.154 4.320 -0.001 0.000 0.209 317 K C 1.736 178.247 176.600 -0.148 0.000 1.048 317 K CA 1.756 57.999 56.287 -0.073 0.000 0.930 317 K CB -0.272 32.200 32.500 -0.046 0.000 0.714 317 K HN 0.406 nan 8.250 nan 0.000 0.438 318 N N 0.227 118.773 118.700 -0.256 0.000 2.166 318 N HA -0.198 4.542 4.740 -0.001 0.000 0.186 318 N C 1.612 176.802 175.510 -0.534 0.000 1.019 318 N CA 1.208 54.033 53.050 -0.376 0.000 0.856 318 N CB -0.589 37.635 38.487 -0.437 0.000 0.993 318 N HN 0.349 nan 8.380 nan 0.000 0.426 319 Y N 1.292 121.055 120.300 -0.895 0.000 2.070 319 Y HA -0.190 4.359 4.550 -0.001 0.000 0.280 319 Y C 2.255 178.049 175.900 -0.177 0.000 1.148 319 Y CA 2.132 59.903 58.100 -0.548 0.000 1.125 319 Y CB -0.292 37.940 38.460 -0.380 0.000 0.975 319 Y HN 0.076 nan 8.280 nan 0.000 0.492 320 A N -0.036 122.635 122.820 -0.248 0.000 2.066 320 A HA -0.126 4.193 4.320 -0.001 0.000 0.218 320 A C 1.961 179.433 177.584 -0.187 0.000 1.157 320 A CA 1.435 53.311 52.037 -0.269 0.000 0.670 320 A CB -0.657 18.281 19.000 -0.103 0.000 0.804 320 A HN 0.682 nan 8.150 nan 0.000 0.453 321 E N -0.790 119.327 120.200 -0.139 0.000 2.110 321 E HA 0.051 4.401 4.350 -0.001 0.000 0.193 321 E C 0.440 176.999 176.600 -0.068 0.000 0.988 321 E CA 0.929 57.281 56.400 -0.081 0.000 0.804 321 E CB -0.061 29.607 29.700 -0.054 0.000 0.745 321 E HN 0.550 nan 8.360 nan 0.000 0.458 322 A N 0.224 122.993 122.820 -0.084 0.000 2.664 322 A HA 0.181 4.501 4.320 -0.001 0.000 0.300 322 A C 0.089 177.662 177.584 -0.019 0.000 1.210 322 A CA -0.572 51.450 52.037 -0.025 0.000 0.863 322 A CB 0.440 19.470 19.000 0.049 0.000 1.464 322 A HN -0.034 nan 8.150 nan 0.000 0.438 323 K N 0.233 120.541 120.400 -0.154 0.000 2.097 323 K HA -0.135 4.185 4.320 -0.001 0.000 0.206 323 K C 0.705 177.387 176.600 0.136 0.000 1.049 323 K CA 1.824 57.975 56.287 -0.226 0.000 0.933 323 K CB 0.103 32.305 32.500 -0.496 0.000 0.717 323 K HN 0.606 nan 8.250 nan 0.000 0.442 324 D N 0.367 120.841 120.400 0.124 0.000 2.149 324 D HA -0.085 4.554 4.640 -0.001 0.000 0.201 324 D C 1.941 178.389 176.300 0.248 0.000 0.972 324 D CA 0.638 54.751 54.000 0.189 0.000 0.835 324 D CB -0.133 40.757 40.800 0.149 0.000 0.966 324 D HN -0.105 nan 8.370 nan 0.000 0.476 325 V N 0.737 120.798 119.914 0.245 0.000 2.295 325 V HA -0.236 3.884 4.120 -0.001 0.000 0.246 325 V C 2.132 178.381 176.094 0.258 0.000 1.049 325 V CA 1.274 63.752 62.300 0.296 0.000 1.024 325 V CB -0.487 31.495 31.823 0.266 0.000 0.648 325 V HN 0.100 nan 8.190 nan 0.000 0.447 326 F N 0.218 120.270 119.950 0.171 0.000 2.146 326 F HA -0.123 4.403 4.527 -0.001 0.000 0.298 326 F C 2.021 178.038 175.800 0.363 0.000 1.096 326 F CA 1.577 59.732 58.000 0.258 0.000 1.275 326 F CB -0.230 38.971 39.000 0.334 0.000 1.008 326 F HN 0.025 nan 8.300 nan 0.000 0.480 327 L N -0.617 120.855 121.223 0.415 0.000 2.141 327 L HA -0.085 4.255 4.340 -0.001 0.000 0.209 327 L C 2.725 179.731 176.870 0.227 0.000 1.094 327 L CA 1.172 56.193 54.840 0.303 0.000 0.763 327 L CB -1.421 40.821 42.059 0.306 0.000 0.908 327 L HN 0.278 nan 8.230 nan 0.000 0.437 328 G N -0.296 108.639 108.800 0.225 0.000 2.422 328 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.218 328 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.218 328 G C 1.634 176.600 174.900 0.110 0.000 1.140 328 G CA 0.439 45.704 45.100 0.274 0.000 0.775 328 G HN 0.202 nan 8.290 nan 0.000 0.545 329 M N -0.412 119.011 119.600 -0.295 0.000 2.132 329 M HA 0.085 4.565 4.480 -0.001 0.000 0.263 329 M C 2.281 178.529 176.300 -0.086 0.000 1.065 329 M CA 1.144 56.159 55.300 -0.474 0.000 1.122 329 M CB -0.424 31.916 32.600 -0.432 0.000 1.365 329 M HN 0.253 nan 8.290 nan 0.000 0.411 330 F N 1.274 120.992 119.950 -0.388 0.000 2.095 330 F HA -0.247 4.280 4.527 -0.001 0.000 0.298 330 F C 2.000 177.529 175.800 -0.451 0.000 1.104 330 F CA 1.433 58.887 58.000 -0.910 0.000 1.232 330 F CB -0.250 38.174 39.000 -0.959 0.000 0.987 330 F HN 0.001 nan 8.300 nan 0.000 0.475 331 L N -0.049 121.132 121.223 -0.069 0.000 2.056 331 L HA -0.174 4.166 4.340 -0.001 0.000 0.207 331 L C 2.242 179.067 176.870 -0.076 0.000 1.078 331 L CA 2.018 56.805 54.840 -0.089 0.000 0.749 331 L CB -1.543 40.562 42.059 0.077 0.000 0.901 331 L HN 0.450 nan 8.230 nan 0.000 0.433 332 Y N 0.246 120.512 120.300 -0.057 0.000 2.097 332 Y HA -0.255 4.295 4.550 -0.001 0.000 0.282 332 Y C 2.355 178.202 175.900 -0.088 0.000 1.152 332 Y CA 2.123 60.231 58.100 0.014 0.000 1.136 332 Y CB -0.052 38.556 38.460 0.247 0.000 0.975 332 Y HN 0.257 nan 8.280 nan 0.000 0.498 333 E N -0.571 119.431 120.200 -0.331 0.000 2.110 333 E HA -0.233 4.117 4.350 -0.001 0.000 0.193 333 E C 1.977 178.284 176.600 -0.488 0.000 0.988 333 E CA 1.359 57.477 56.400 -0.469 0.000 0.804 333 E CB -0.699 28.861 29.700 -0.234 0.000 0.745 333 E HN 0.613 nan 8.360 nan 0.000 0.458 334 Y N 1.019 120.928 120.300 -0.651 0.000 2.220 334 Y HA -0.100 4.449 4.550 -0.001 0.000 0.291 334 Y C 2.362 178.048 175.900 -0.357 0.000 1.129 334 Y CA 1.273 59.025 58.100 -0.581 0.000 1.161 334 Y CB -0.314 37.623 38.460 -0.872 0.000 0.997 334 Y HN 0.013 nan 8.280 nan 0.000 0.522 335 A N 0.893 123.633 122.820 -0.134 0.000 1.897 335 A HA -0.160 4.159 4.320 -0.001 0.000 0.215 335 A C 2.301 179.763 177.584 -0.204 0.000 1.181 335 A CA 1.543 53.499 52.037 -0.135 0.000 0.620 335 A CB -0.697 18.208 19.000 -0.157 0.000 0.821 335 A HN 0.553 nan 8.150 nan 0.000 0.443 336 R N -0.282 120.039 120.500 -0.297 0.000 2.139 336 R HA -0.140 4.199 4.340 -0.001 0.000 0.243 336 R C 1.854 177.974 176.300 -0.300 0.000 1.145 336 R CA 1.771 57.688 56.100 -0.305 0.000 0.976 336 R CB -0.452 29.602 30.300 -0.409 0.000 0.866 336 R HN 0.437 nan 8.270 nan 0.000 0.449 337 R N -0.308 119.994 120.500 -0.330 0.000 2.236 337 R HA 0.074 4.414 4.340 -0.001 0.000 0.208 337 R C 0.315 176.195 176.300 -0.700 0.000 1.036 337 R CA 0.640 56.472 56.100 -0.447 0.000 1.001 337 R CB 0.163 30.201 30.300 -0.435 0.000 0.896 337 R HN 0.398 nan 8.270 nan 0.000 0.464 338 H N 0.102 118.941 119.070 -0.386 0.000 2.336 338 H HA 0.170 4.726 4.556 -0.001 0.000 0.230 338 H C -1.910 173.191 175.328 -0.378 0.000 1.426 338 H CA -1.783 53.955 56.048 -0.516 0.000 1.359 338 H CB 1.250 30.460 29.762 -0.921 0.000 1.555 338 H HN 0.036 nan 8.280 nan 0.000 0.512 339 P HA -0.159 nan 4.420 nan 0.000 0.223 339 P C 1.066 178.271 177.300 -0.158 0.000 1.144 339 P CA 1.163 64.144 63.100 -0.199 0.000 0.783 339 P CB 0.324 31.907 31.700 -0.195 0.000 0.771 340 D N -2.339 117.964 120.400 -0.161 0.000 2.349 340 D HA -0.104 4.536 4.640 -0.001 0.000 0.215 340 D C 0.640 176.994 176.300 0.090 0.000 1.016 340 D CA -0.077 53.882 54.000 -0.068 0.000 0.870 340 D CB -0.750 40.009 40.800 -0.068 0.000 0.917 340 D HN 0.238 nan 8.370 nan 0.000 0.524 341 Y N 1.462 121.740 120.300 -0.036 0.000 2.316 341 Y HA 0.216 4.766 4.550 -0.001 0.000 0.324 341 Y C 1.582 177.412 175.900 -0.117 0.000 1.267 341 Y CA -1.205 56.847 58.100 -0.080 0.000 1.311 341 Y CB 1.140 39.527 38.460 -0.122 0.000 1.267 341 Y HN -0.111 nan 8.280 nan 0.000 0.516 342 S N -0.182 115.547 115.700 0.048 0.000 2.603 342 S HA 0.088 4.557 4.470 -0.001 0.000 0.268 342 S C 0.777 175.320 174.600 -0.095 0.000 1.317 342 S CA -0.881 57.297 58.200 -0.038 0.000 1.012 342 S CB 1.337 64.513 63.200 -0.039 0.000 0.926 342 S HN 0.518 nan 8.310 nan 0.000 0.539 343 V N 1.752 121.566 119.914 -0.167 0.000 2.407 343 V HA -0.175 3.945 4.120 -0.001 0.000 0.248 343 V C 2.573 178.561 176.094 -0.177 0.000 1.055 343 V CA 1.971 64.103 62.300 -0.280 0.000 1.049 343 V CB -1.131 30.327 31.823 -0.609 0.000 0.662 343 V HN 0.904 nan 8.190 nan 0.000 0.455 344 V N -1.746 118.120 119.914 -0.080 0.000 2.667 344 V HA -0.142 3.977 4.120 -0.001 0.000 0.252 344 V C 2.177 178.196 176.094 -0.124 0.000 1.065 344 V CA 1.666 63.931 62.300 -0.057 0.000 1.083 344 V CB -0.662 31.157 31.823 -0.006 0.000 0.692 344 V HN 0.486 nan 8.190 nan 0.000 0.468 345 L N -0.426 120.701 121.223 -0.160 0.000 2.056 345 L HA -0.059 4.280 4.340 -0.001 0.000 0.207 345 L C 2.558 179.239 176.870 -0.314 0.000 1.078 345 L CA 1.920 56.609 54.840 -0.251 0.000 0.749 345 L CB -0.233 41.624 42.059 -0.338 0.000 0.901 345 L HN 0.323 nan 8.230 nan 0.000 0.433 346 L N -0.193 120.868 121.223 -0.269 0.000 2.043 346 L HA -0.309 4.031 4.340 -0.001 0.000 0.212 346 L C 2.610 179.316 176.870 -0.274 0.000 1.075 346 L CA 1.380 56.032 54.840 -0.314 0.000 0.752 346 L CB -0.487 41.437 42.059 -0.225 0.000 0.891 346 L HN 0.320 nan 8.230 nan 0.000 0.432 347 L N -0.979 120.133 121.223 -0.185 0.000 2.017 347 L HA -0.206 4.134 4.340 -0.001 0.000 0.208 347 L C 2.793 179.588 176.870 -0.126 0.000 1.073 347 L CA 1.272 56.042 54.840 -0.117 0.000 0.745 347 L CB -0.602 41.415 42.059 -0.070 0.000 0.894 347 L HN 0.215 nan 8.230 nan 0.000 0.432 348 R N 0.012 120.419 120.500 -0.155 0.000 2.159 348 R HA -0.130 4.209 4.340 -0.001 0.000 0.237 348 R C 2.236 178.438 176.300 -0.163 0.000 1.131 348 R CA 1.103 57.121 56.100 -0.137 0.000 0.982 348 R CB -0.294 29.921 30.300 -0.142 0.000 0.868 348 R HN 0.399 nan 8.270 nan 0.000 0.453 349 L N -0.435 120.604 121.223 -0.307 0.000 2.095 349 L HA -0.041 4.299 4.340 -0.001 0.000 0.204 349 L C 2.620 179.315 176.870 -0.292 0.000 1.080 349 L CA 0.958 55.487 54.840 -0.517 0.000 0.759 349 L CB -0.500 40.931 42.059 -1.048 0.000 0.914 349 L HN 0.190 nan 8.230 nan 0.000 0.439 350 A N 0.228 122.971 122.820 -0.128 0.000 1.930 350 A HA -0.230 4.090 4.320 -0.001 0.000 0.217 350 A C 2.347 179.917 177.584 -0.023 0.000 1.175 350 A CA 1.729 53.773 52.037 0.010 0.000 0.627 350 A CB -0.368 18.691 19.000 0.099 0.000 0.815 350 A HN 0.309 nan 8.150 nan 0.000 0.443 351 K N -0.693 119.693 120.400 -0.023 0.000 2.211 351 K HA -0.105 4.215 4.320 -0.001 0.000 0.203 351 K C 1.758 178.363 176.600 0.008 0.000 1.050 351 K CA 1.721 58.005 56.287 -0.004 0.000 0.945 351 K CB -0.228 32.263 32.500 -0.014 0.000 0.732 351 K HN 0.421 nan 8.250 nan 0.000 0.451 352 T N -0.155 114.422 114.554 0.039 0.000 2.812 352 T HA -0.141 4.209 4.350 -0.001 0.000 0.264 352 T C 1.357 176.131 174.700 0.122 0.000 1.042 352 T CA 1.127 63.289 62.100 0.103 0.000 1.140 352 T CB -0.381 68.619 68.868 0.219 0.000 0.870 352 T HN 0.369 nan 8.240 nan 0.000 0.445 353 Y N 1.683 121.962 120.300 -0.036 0.000 2.224 353 Y HA -0.166 4.384 4.550 -0.001 0.000 0.289 353 Y C 2.667 178.426 175.900 -0.234 0.000 1.146 353 Y CA 1.675 59.658 58.100 -0.194 0.000 1.182 353 Y CB 0.077 38.096 38.460 -0.736 0.000 0.983 353 Y HN 0.263 nan 8.280 nan 0.000 0.524 354 E N -0.834 119.255 120.200 -0.185 0.000 2.072 354 E HA -0.175 4.175 4.350 -0.001 0.000 0.191 354 E C 1.844 178.345 176.600 -0.164 0.000 0.985 354 E CA 1.726 58.003 56.400 -0.205 0.000 0.801 354 E CB -0.150 29.546 29.700 -0.007 0.000 0.750 354 E HN 0.393 nan 8.360 nan 0.000 0.452 355 T N 0.200 114.702 114.554 -0.086 0.000 2.821 355 T HA -0.103 4.247 4.350 -0.001 0.000 0.267 355 T C 1.823 176.471 174.700 -0.086 0.000 1.046 355 T CA 1.655 63.723 62.100 -0.053 0.000 1.139 355 T CB -0.347 68.508 68.868 -0.022 0.000 0.871 355 T HN 0.229 nan 8.240 nan 0.000 0.454 356 T N 2.237 116.716 114.554 -0.124 0.000 2.737 356 T HA -0.001 4.349 4.350 -0.001 0.000 0.265 356 T C 1.836 176.425 174.700 -0.185 0.000 1.038 356 T CA 0.680 62.706 62.100 -0.122 0.000 1.144 356 T CB -0.333 68.481 68.868 -0.090 0.000 0.866 356 T HN 0.066 nan 8.240 nan 0.000 0.434 357 L N 1.422 122.392 121.223 -0.421 0.000 2.046 357 L HA -0.026 4.314 4.340 -0.001 0.000 0.208 357 L C 2.543 179.269 176.870 -0.240 0.000 1.077 357 L CA 1.549 56.086 54.840 -0.505 0.000 0.747 357 L CB -1.004 40.367 42.059 -1.146 0.000 0.896 357 L HN 0.199 nan 8.230 nan 0.000 0.432 358 E N -0.167 119.944 120.200 -0.147 0.000 2.033 358 E HA -0.303 4.047 4.350 -0.001 0.000 0.199 358 E C 2.164 178.773 176.600 0.014 0.000 1.011 358 E CA 1.576 57.989 56.400 0.023 0.000 0.815 358 E CB -0.269 29.457 29.700 0.044 0.000 0.755 358 E HN 0.477 nan 8.360 nan 0.000 0.451 359 K N 0.478 120.872 120.400 -0.010 0.000 2.032 359 K HA -0.139 4.181 4.320 -0.001 0.000 0.209 359 K C 2.273 178.878 176.600 0.009 0.000 1.048 359 K CA 1.903 58.191 56.287 0.000 0.000 0.927 359 K CB -0.182 32.313 32.500 -0.008 0.000 0.712 359 K HN 0.112 nan 8.250 nan 0.000 0.441 360 c N 0.161 118.770 118.600 0.016 0.000 2.475 360 c HA 0.035 4.605 4.570 -0.001 0.000 0.279 360 c C 2.809 176.936 174.090 0.061 0.000 1.322 360 c CA 0.035 56.388 56.329 0.039 0.000 1.734 360 c CB -0.769 41.806 42.510 0.109 0.000 2.005 360 c HN 0.672 nan 8.230 nan 0.000 0.495 361 c N 1.065 119.712 118.600 0.078 0.000 2.432 361 c HA -0.015 4.554 4.570 -0.001 0.000 0.280 361 c C 3.001 177.129 174.090 0.063 0.000 1.353 361 c CA 1.189 57.575 56.329 0.096 0.000 1.766 361 c CB -1.487 41.088 42.510 0.108 0.000 1.924 361 c HN 0.708 nan 8.230 nan 0.000 0.509 362 A N 0.495 123.342 122.820 0.046 0.000 1.968 362 A HA 0.377 4.697 4.320 -0.001 0.000 0.217 362 A C 1.453 179.048 177.584 0.019 0.000 1.169 362 A CA 1.165 53.221 52.037 0.032 0.000 0.638 362 A CB -0.578 18.438 19.000 0.027 0.000 0.812 362 A HN 0.556 nan 8.150 nan 0.000 0.446 363 A N -1.083 121.745 122.820 0.012 0.000 2.406 363 A HA 0.511 4.830 4.320 -0.001 0.000 0.243 363 A C 1.649 179.230 177.584 -0.004 0.000 1.082 363 A CA 0.336 52.372 52.037 -0.002 0.000 0.786 363 A CB -0.041 18.949 19.000 -0.017 0.000 1.029 363 A HN 1.165 nan 8.150 nan 0.000 0.495 364 A N 0.341 123.155 122.820 -0.009 0.000 1.908 364 A HA -0.069 4.251 4.320 -0.001 0.000 0.218 364 A C 1.123 178.698 177.584 -0.015 0.000 1.181 364 A CA 1.961 53.993 52.037 -0.009 0.000 0.627 364 A CB -0.245 18.749 19.000 -0.010 0.000 0.818 364 A HN 0.781 nan 8.150 nan 0.000 0.445 365 D N -1.230 119.153 120.400 -0.029 0.000 2.505 365 D HA 0.340 4.980 4.640 -0.001 0.000 0.242 365 D C -2.008 174.237 176.300 -0.092 0.000 1.136 365 D CA -2.060 51.913 54.000 -0.045 0.000 0.954 365 D CB 0.916 41.691 40.800 -0.042 0.000 1.002 365 D HN 0.046 nan 8.370 nan 0.000 0.512 366 P HA -0.141 nan 4.420 nan 0.000 0.215 366 P C 1.207 178.104 177.300 -0.671 0.000 1.153 366 P CA 1.137 64.128 63.100 -0.181 0.000 0.853 366 P CB 0.141 31.867 31.700 0.044 0.000 0.788 367 H N -0.081 118.564 119.070 -0.708 0.000 2.352 367 H HA -0.162 4.393 4.556 -0.000 0.000 0.299 367 H C 2.094 177.044 175.328 -0.631 0.000 1.097 367 H CA 1.987 57.455 56.048 -0.966 0.000 1.311 367 H CB -0.204 29.372 29.762 -0.309 0.000 1.377 367 H HN 0.099 nan 8.280 nan 0.000 0.504 368 E N -0.484 119.607 120.200 -0.181 0.000 2.110 368 E HA -0.207 4.143 4.350 -0.001 0.000 0.193 368 E C 2.363 178.836 176.600 -0.211 0.000 0.988 368 E CA 1.055 57.387 56.400 -0.113 0.000 0.804 368 E CB -0.359 29.321 29.700 -0.034 0.000 0.745 368 E HN 0.567 nan 8.360 nan 0.000 0.458 369 c N 0.787 119.239 118.600 -0.246 0.000 2.429 369 c HA -0.146 4.424 4.570 -0.001 0.000 0.277 369 c C 2.373 176.387 174.090 -0.127 0.000 1.262 369 c CA 1.142 57.372 56.329 -0.164 0.000 1.733 369 c CB -1.116 41.325 42.510 -0.115 0.000 2.010 369 c HN 0.697 nan 8.230 nan 0.000 0.483 370 Y N 0.308 120.545 120.300 -0.105 0.000 2.468 370 Y HA 0.619 5.169 4.550 -0.000 0.000 0.268 370 Y C 1.784 177.605 175.900 -0.132 0.000 1.177 370 Y CA -0.082 57.956 58.100 -0.103 0.000 1.265 370 Y CB -1.527 36.881 38.460 -0.086 0.000 1.103 370 Y HN 0.165 nan 8.280 nan 0.000 0.522 371 A N 1.253 124.000 122.820 -0.122 0.000 2.019 371 A HA -0.136 4.184 4.320 -0.001 0.000 0.219 371 A C 2.104 179.670 177.584 -0.029 0.000 1.164 371 A CA 1.359 53.292 52.037 -0.173 0.000 0.644 371 A CB -0.332 18.516 19.000 -0.254 0.000 0.805 371 A HN 0.399 nan 8.150 nan 0.000 0.449 372 K N 0.010 120.407 120.400 -0.005 0.000 2.372 372 K HA 0.214 4.534 4.320 -0.001 0.000 0.200 372 K C 1.298 177.901 176.600 0.006 0.000 1.022 372 K CA 0.333 56.624 56.287 0.007 0.000 1.125 372 K CB 0.095 32.590 32.500 -0.008 0.000 0.855 372 K HN 0.205 nan 8.250 nan 0.000 0.524 373 V N 0.993 120.931 119.914 0.040 0.000 2.392 373 V HA -0.250 3.870 4.120 -0.001 0.000 0.249 373 V C 1.630 177.511 176.094 -0.354 0.000 1.059 373 V CA 1.763 64.022 62.300 -0.069 0.000 1.051 373 V CB -0.487 31.389 31.823 0.089 0.000 0.658 373 V HN 0.289 nan 8.190 nan 0.000 0.455 374 F N 1.145 120.840 119.950 -0.425 0.000 2.161 374 F HA -0.144 4.383 4.527 -0.000 0.000 0.300 374 F C 2.270 177.900 175.800 -0.283 0.000 1.089 374 F CA 1.789 59.530 58.000 -0.431 0.000 1.282 374 F CB -1.013 37.990 39.000 0.004 0.000 1.010 374 F HN 0.321 nan 8.300 nan 0.000 0.485 375 D N 0.022 120.416 120.400 -0.010 0.000 2.182 375 D HA -0.175 4.465 4.640 -0.001 0.000 0.201 375 D C 1.999 178.254 176.300 -0.075 0.000 0.986 375 D CA 1.160 55.152 54.000 -0.013 0.000 0.847 375 D CB -0.470 40.332 40.800 0.004 0.000 0.942 375 D HN 0.430 nan 8.370 nan 0.000 0.467 376 E N -0.369 119.719 120.200 -0.187 0.000 2.268 376 E HA -0.090 4.260 4.350 -0.001 0.000 0.195 376 E C 1.876 178.457 176.600 -0.032 0.000 0.995 376 E CA 0.306 56.625 56.400 -0.136 0.000 0.836 376 E CB -0.185 29.421 29.700 -0.157 0.000 0.763 376 E HN 0.429 nan 8.360 nan 0.000 0.491 377 F N 1.105 121.013 119.950 -0.070 0.000 2.293 377 F HA -0.136 4.391 4.527 -0.000 0.000 0.300 377 F C 2.379 178.105 175.800 -0.124 0.000 1.086 377 F CA -0.089 57.818 58.000 -0.154 0.000 1.375 377 F CB 0.006 38.860 39.000 -0.243 0.000 1.045 377 F HN -0.119 nan 8.300 nan 0.000 0.516 378 K N 0.996 121.455 120.400 0.098 0.000 1.988 378 K HA -0.226 4.093 4.320 -0.001 0.000 0.231 378 K C -0.676 175.929 176.600 0.009 0.000 1.044 378 K CA 2.090 58.406 56.287 0.049 0.000 1.013 378 K CB -1.956 30.566 32.500 0.036 0.000 0.736 378 K HN 0.165 nan 8.250 nan 0.000 0.446 379 P HA 0.045 nan 4.420 nan 0.000 0.236 379 P C 1.454 178.730 177.300 -0.041 0.000 1.177 379 P CA 0.657 63.748 63.100 -0.015 0.000 0.773 379 P CB 0.067 31.762 31.700 -0.008 0.000 0.878 380 L N -1.130 120.061 121.223 -0.052 0.000 2.044 380 L HA -0.107 4.233 4.340 -0.001 0.000 0.205 380 L C 2.286 179.051 176.870 -0.175 0.000 1.075 380 L CA 1.254 56.035 54.840 -0.100 0.000 0.747 380 L CB -0.980 41.019 42.059 -0.100 0.000 0.903 380 L HN -0.140 nan 8.230 nan 0.000 0.435 381 V N -0.109 119.673 119.914 -0.219 0.000 2.358 381 V HA -0.253 3.867 4.120 -0.001 0.000 0.246 381 V C 2.329 178.320 176.094 -0.173 0.000 1.047 381 V CA 1.735 63.841 62.300 -0.324 0.000 1.035 381 V CB -0.426 31.215 31.823 -0.303 0.000 0.658 381 V HN 0.445 nan 8.190 nan 0.000 0.452 382 E N -0.434 119.713 120.200 -0.088 0.000 2.072 382 E HA -0.211 4.139 4.350 -0.001 0.000 0.191 382 E C 2.326 178.904 176.600 -0.037 0.000 0.985 382 E CA 0.932 57.308 56.400 -0.041 0.000 0.801 382 E CB -0.168 29.524 29.700 -0.013 0.000 0.750 382 E HN 0.528 nan 8.360 nan 0.000 0.452 383 E N 0.878 121.051 120.200 -0.045 0.000 2.048 383 E HA -0.190 4.160 4.350 -0.001 0.000 0.202 383 E C -0.665 175.919 176.600 -0.026 0.000 1.021 383 E CA 1.833 58.215 56.400 -0.030 0.000 0.825 383 E CB -0.955 28.725 29.700 -0.033 0.000 0.756 383 E HN 0.177 nan 8.360 nan 0.000 0.454 384 P HA -0.118 nan 4.420 nan 0.000 0.217 384 P C 1.419 178.709 177.300 -0.016 0.000 1.150 384 P CA 1.441 64.521 63.100 -0.034 0.000 0.832 384 P CB -0.240 31.418 31.700 -0.070 0.000 0.787 385 Q N -0.599 119.186 119.800 -0.026 0.000 2.124 385 Q HA -0.147 4.193 4.340 -0.001 0.000 0.202 385 Q C 2.002 178.011 176.000 0.015 0.000 0.977 385 Q CA 1.272 57.077 55.803 0.003 0.000 0.850 385 Q CB -0.453 28.290 28.738 0.009 0.000 0.901 385 Q HN 0.275 nan 8.270 nan 0.000 0.429 386 N N 0.063 118.770 118.700 0.011 0.000 2.250 386 N HA -0.090 4.649 4.740 -0.001 0.000 0.181 386 N C 1.472 177.001 175.510 0.031 0.000 1.017 386 N CA 0.617 53.679 53.050 0.020 0.000 0.866 386 N CB -0.158 38.339 38.487 0.016 0.000 0.985 386 N HN 0.089 nan 8.380 nan 0.000 0.429 387 L N 1.193 122.435 121.223 0.032 0.000 2.046 387 L HA 0.039 4.379 4.340 -0.001 0.000 0.208 387 L C 1.961 178.867 176.870 0.060 0.000 1.077 387 L CA 1.075 55.945 54.840 0.049 0.000 0.747 387 L CB -0.722 41.365 42.059 0.047 0.000 0.896 387 L HN 0.133 nan 8.230 nan 0.000 0.432 388 I N -0.970 119.628 120.570 0.047 0.000 2.179 388 I HA -0.351 3.818 4.170 -0.001 0.000 0.242 388 I C 2.491 178.634 176.117 0.045 0.000 1.088 388 I CA 1.225 62.553 61.300 0.047 0.000 1.357 388 I CB -0.237 37.785 38.000 0.036 0.000 1.051 388 I HN 0.212 nan 8.210 nan 0.000 0.409 389 K N 0.544 120.968 120.400 0.040 0.000 2.020 389 K HA -0.284 4.036 4.320 -0.001 0.000 0.212 389 K C 2.212 178.841 176.600 0.049 0.000 1.050 389 K CA 2.187 58.496 56.287 0.038 0.000 0.929 389 K CB -0.200 32.319 32.500 0.033 0.000 0.714 389 K HN 0.485 nan 8.250 nan 0.000 0.443 390 Q N 0.127 119.961 119.800 0.057 0.000 2.124 390 Q HA -0.165 4.175 4.340 -0.001 0.000 0.202 390 Q C 1.452 177.517 176.000 0.109 0.000 0.977 390 Q CA 1.909 57.754 55.803 0.071 0.000 0.850 390 Q CB -0.383 28.392 28.738 0.062 0.000 0.901 390 Q HN 0.270 nan 8.270 nan 0.000 0.429 391 N N 0.230 119.010 118.700 0.134 0.000 2.244 391 N HA -0.059 4.681 4.740 -0.001 0.000 0.183 391 N C 1.479 177.063 175.510 0.124 0.000 1.016 391 N CA 1.482 54.670 53.050 0.228 0.000 0.866 391 N CB -0.106 38.545 38.487 0.274 0.000 0.980 391 N HN 0.291 nan 8.380 nan 0.000 0.430 392 c N 0.854 119.481 118.600 0.045 0.000 2.446 392 c HA 0.017 4.586 4.570 -0.001 0.000 0.279 392 c C 2.195 176.320 174.090 0.059 0.000 1.366 392 c CA 0.327 56.652 56.329 -0.007 0.000 1.763 392 c CB -0.834 41.654 42.510 -0.036 0.000 1.929 392 c HN 0.524 nan 8.230 nan 0.000 0.509 393 E N 0.731 120.966 120.200 0.058 0.000 2.107 393 E HA -0.112 4.237 4.350 -0.001 0.000 0.191 393 E C 2.081 178.710 176.600 0.049 0.000 0.982 393 E CA 0.789 57.219 56.400 0.051 0.000 0.809 393 E CB -0.197 29.530 29.700 0.044 0.000 0.756 393 E HN 0.593 nan 8.360 nan 0.000 0.459 394 L N 0.400 121.680 121.223 0.094 0.000 2.017 394 L HA -0.158 4.182 4.340 -0.001 0.000 0.208 394 L C 2.507 179.410 176.870 0.056 0.000 1.073 394 L CA 1.143 56.066 54.840 0.139 0.000 0.745 394 L CB -0.325 41.922 42.059 0.314 0.000 0.894 394 L HN 0.155 nan 8.230 nan 0.000 0.432 395 F N 1.184 120.927 119.950 -0.344 0.000 2.161 395 F HA -0.254 4.273 4.527 -0.001 0.000 0.300 395 F C 2.358 177.982 175.800 -0.294 0.000 1.089 395 F CA 1.733 59.288 58.000 -0.742 0.000 1.282 395 F CB -0.097 38.159 39.000 -1.240 0.000 1.010 395 F HN 0.100 nan 8.300 nan 0.000 0.485 396 E N -0.366 119.752 120.200 -0.136 0.000 2.150 396 E HA -0.248 4.101 4.350 -0.001 0.000 0.193 396 E C 2.149 178.642 176.600 -0.179 0.000 0.985 396 E CA 1.227 57.545 56.400 -0.136 0.000 0.814 396 E CB -0.301 29.405 29.700 0.010 0.000 0.752 396 E HN 0.613 nan 8.360 nan 0.000 0.466 397 Q N -0.247 119.479 119.800 -0.123 0.000 2.187 397 Q HA -0.078 4.262 4.340 -0.001 0.000 0.199 397 Q C 1.472 177.415 176.000 -0.095 0.000 0.957 397 Q CA 0.671 56.429 55.803 -0.075 0.000 0.857 397 Q CB 0.381 29.105 28.738 -0.023 0.000 0.929 397 Q HN 0.134 nan 8.270 nan 0.000 0.453 398 L N -1.823 119.318 121.223 -0.136 0.000 2.537 398 L HA 0.313 4.653 4.340 -0.001 0.000 0.224 398 L C 0.867 177.631 176.870 -0.177 0.000 1.065 398 L CA 1.140 55.918 54.840 -0.103 0.000 0.860 398 L CB 0.024 42.078 42.059 -0.009 0.000 1.086 398 L HN 0.208 nan 8.230 nan 0.000 0.482 399 G N 0.024 108.577 108.800 -0.411 0.000 2.814 399 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.677 399 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.677 399 G C 0.578 175.296 174.900 -0.302 0.000 1.429 399 G CA 0.240 45.058 45.100 -0.469 0.000 0.868 399 G HN 0.229 nan 8.290 nan 0.000 0.553 400 E N -0.540 119.577 120.200 -0.139 0.000 2.012 400 E HA -0.212 4.138 4.350 -0.001 0.000 0.197 400 E C 2.123 178.870 176.600 0.244 0.000 1.007 400 E CA 2.140 58.652 56.400 0.188 0.000 0.816 400 E CB -0.219 29.638 29.700 0.261 0.000 0.762 400 E HN 0.712 nan 8.360 nan 0.000 0.451 401 Y N 0.983 121.334 120.300 0.086 0.000 2.128 401 Y HA -0.223 4.327 4.550 -0.000 0.000 0.284 401 Y C 1.998 177.939 175.900 0.069 0.000 1.154 401 Y CA 1.958 60.103 58.100 0.074 0.000 1.149 401 Y CB 0.060 38.547 38.460 0.045 0.000 0.976 401 Y HN -0.077 nan 8.280 nan 0.000 0.505 402 K N -0.623 119.640 120.400 -0.229 0.000 2.217 402 K HA -0.142 4.177 4.320 -0.001 0.000 0.202 402 K C 1.872 178.413 176.600 -0.098 0.000 1.051 402 K CA 1.117 57.232 56.287 -0.288 0.000 0.952 402 K CB -0.362 32.068 32.500 -0.117 0.000 0.736 402 K HN 0.343 nan 8.250 nan 0.000 0.453 403 F N 2.691 122.564 119.950 -0.129 0.000 2.134 403 F HA -0.189 4.338 4.527 -0.001 0.000 0.299 403 F C 2.120 177.908 175.800 -0.019 0.000 1.097 403 F CA 1.516 59.492 58.000 -0.040 0.000 1.264 403 F CB -0.128 38.910 39.000 0.063 0.000 1.001 403 F HN 0.009 nan 8.300 nan 0.000 0.479 404 Q N 0.080 119.869 119.800 -0.019 0.000 2.096 404 Q HA -0.241 4.098 4.340 -0.001 0.000 0.204 404 Q C 2.059 177.949 176.000 -0.183 0.000 0.982 404 Q CA 1.952 57.694 55.803 -0.100 0.000 0.850 404 Q CB -0.494 28.256 28.738 0.021 0.000 0.901 404 Q HN 0.602 nan 8.270 nan 0.000 0.422 405 N N -0.124 118.421 118.700 -0.258 0.000 2.166 405 N HA -0.137 4.602 4.740 -0.001 0.000 0.186 405 N C 1.747 177.139 175.510 -0.197 0.000 1.019 405 N CA 0.710 53.610 53.050 -0.250 0.000 0.856 405 N CB -0.054 38.222 38.487 -0.353 0.000 0.993 405 N HN 0.190 nan 8.380 nan 0.000 0.426 406 A N 0.969 123.663 122.820 -0.210 0.000 1.930 406 A HA -0.080 4.239 4.320 -0.001 0.000 0.217 406 A C 2.009 179.431 177.584 -0.270 0.000 1.175 406 A CA 0.933 52.849 52.037 -0.202 0.000 0.627 406 A CB -0.413 18.490 19.000 -0.162 0.000 0.815 406 A HN 0.102 nan 8.150 nan 0.000 0.443 407 L N -0.714 120.308 121.223 -0.335 0.000 2.083 407 L HA -0.103 4.237 4.340 -0.001 0.000 0.209 407 L C 2.313 179.096 176.870 -0.145 0.000 1.083 407 L CA 1.123 55.792 54.840 -0.285 0.000 0.752 407 L CB -0.991 40.927 42.059 -0.235 0.000 0.899 407 L HN 0.238 nan 8.230 nan 0.000 0.433 408 L N -0.785 120.379 121.223 -0.098 0.000 1.970 408 L HA -0.187 4.153 4.340 -0.001 0.000 0.212 408 L C 2.773 179.595 176.870 -0.079 0.000 1.071 408 L CA 2.077 56.891 54.840 -0.042 0.000 0.751 408 L CB -1.444 40.589 42.059 -0.042 0.000 0.889 408 L HN 0.293 nan 8.230 nan 0.000 0.432 409 V N -0.484 119.360 119.914 -0.116 0.000 2.343 409 V HA -0.289 3.831 4.120 -0.001 0.000 0.247 409 V C 2.752 178.746 176.094 -0.167 0.000 1.051 409 V CA 2.010 64.245 62.300 -0.109 0.000 1.036 409 V CB -0.527 31.243 31.823 -0.089 0.000 0.654 409 V HN 0.570 nan 8.190 nan 0.000 0.451 410 R N -0.977 119.356 120.500 -0.278 0.000 2.122 410 R HA -0.230 4.110 4.340 -0.001 0.000 0.236 410 R C 2.255 178.284 176.300 -0.453 0.000 1.129 410 R CA 2.865 58.702 56.100 -0.438 0.000 0.925 410 R CB -0.811 29.089 30.300 -0.667 0.000 0.850 410 R HN 0.613 nan 8.270 nan 0.000 0.431 411 Y N 0.542 120.806 120.300 -0.060 0.000 2.314 411 Y HA -0.045 4.505 4.550 -0.001 0.000 0.293 411 Y C 2.580 178.448 175.900 -0.054 0.000 1.129 411 Y CA 1.475 59.548 58.100 -0.046 0.000 1.201 411 Y CB -0.631 37.804 38.460 -0.042 0.000 0.999 411 Y HN 0.167 nan 8.280 nan 0.000 0.541 412 T N -0.076 114.492 114.554 0.024 0.000 2.746 412 T HA -0.172 4.178 4.350 -0.001 0.000 0.267 412 T C 1.846 176.492 174.700 -0.090 0.000 1.039 412 T CA 1.538 63.622 62.100 -0.026 0.000 1.142 412 T CB -0.146 68.707 68.868 -0.025 0.000 0.866 412 T HN 0.284 nan 8.240 nan 0.000 0.444 413 K N 0.981 121.328 120.400 -0.088 0.000 2.057 413 K HA -0.054 4.266 4.320 -0.001 0.000 0.207 413 K C 2.423 178.975 176.600 -0.081 0.000 1.049 413 K CA 1.122 57.352 56.287 -0.096 0.000 0.931 413 K CB -0.052 32.401 32.500 -0.078 0.000 0.714 413 K HN 0.320 nan 8.250 nan 0.000 0.440 414 K N 0.441 120.818 120.400 -0.038 0.000 2.057 414 K HA -0.079 4.241 4.320 -0.001 0.000 0.206 414 K C 1.037 177.630 176.600 -0.012 0.000 1.050 414 K CA 1.397 57.686 56.287 0.003 0.000 0.935 414 K CB 0.136 32.687 32.500 0.085 0.000 0.715 414 K HN 0.113 nan 8.250 nan 0.000 0.439 415 V N -2.058 117.845 119.914 -0.019 0.000 2.546 415 V HA 0.228 4.348 4.120 -0.001 0.000 0.260 415 V C -2.647 173.394 176.094 -0.090 0.000 0.933 415 V CA -1.465 60.816 62.300 -0.033 0.000 0.994 415 V CB 1.211 33.045 31.823 0.019 0.000 1.160 415 V HN -0.107 nan 8.190 nan 0.000 0.523 416 P HA -0.103 nan 4.420 nan 0.000 0.225 416 P C 1.289 178.459 177.300 -0.217 0.000 1.148 416 P CA 1.266 64.106 63.100 -0.434 0.000 0.779 416 P CB 0.207 31.109 31.700 -1.331 0.000 0.780 417 Q N -0.850 118.910 119.800 -0.066 0.000 2.320 417 Q HA 0.103 4.442 4.340 -0.001 0.000 0.201 417 Q C 0.346 176.397 176.000 0.085 0.000 0.910 417 Q CA 0.000 55.860 55.803 0.094 0.000 0.946 417 Q CB -0.796 28.056 28.738 0.190 0.000 1.062 417 Q HN 0.048 nan 8.270 nan 0.000 0.503 418 V N 3.072 123.020 119.914 0.055 0.000 2.811 418 V HA 0.075 4.195 4.120 -0.001 0.000 0.302 418 V C 0.817 176.947 176.094 0.059 0.000 1.063 418 V CA 0.095 62.437 62.300 0.071 0.000 1.088 418 V CB 1.231 33.089 31.823 0.057 0.000 0.982 418 V HN 0.506 nan 8.190 nan 0.000 0.485 419 S N 2.873 118.609 115.700 0.060 0.000 2.600 419 S HA 0.084 4.553 4.470 -0.001 0.000 0.265 419 S C 1.177 175.799 174.600 0.037 0.000 1.325 419 S CA 0.008 58.235 58.200 0.045 0.000 1.002 419 S CB 0.894 64.116 63.200 0.037 0.000 0.921 419 S HN 0.742 nan 8.310 nan 0.000 0.554 420 T N 2.741 117.312 114.554 0.029 0.000 2.708 420 T HA 0.004 4.353 4.350 -0.001 0.000 0.266 420 T C -0.929 173.786 174.700 0.026 0.000 1.037 420 T CA 1.544 63.660 62.100 0.026 0.000 1.146 420 T CB -1.484 67.393 68.868 0.014 0.000 0.865 420 T HN 0.564 nan 8.240 nan 0.000 0.435 421 P HA -0.049 nan 4.420 nan 0.000 0.215 421 P C 1.613 178.929 177.300 0.026 0.000 1.153 421 P CA 1.238 64.352 63.100 0.024 0.000 0.853 421 P CB -0.253 31.459 31.700 0.020 0.000 0.788 422 T N -0.306 114.265 114.554 0.028 0.000 2.708 422 T HA -0.093 4.257 4.350 -0.001 0.000 0.266 422 T C 1.786 176.499 174.700 0.022 0.000 1.037 422 T CA 1.064 63.180 62.100 0.027 0.000 1.146 422 T CB -0.982 67.908 68.868 0.037 0.000 0.865 422 T HN 0.029 nan 8.240 nan 0.000 0.435 423 L N 0.756 121.996 121.223 0.029 0.000 2.013 423 L HA -0.141 4.199 4.340 -0.001 0.000 0.212 423 L C 2.666 179.556 176.870 0.033 0.000 1.073 423 L CA 1.060 55.920 54.840 0.033 0.000 0.753 423 L CB -0.744 41.340 42.059 0.041 0.000 0.890 423 L HN 0.149 nan 8.230 nan 0.000 0.432 424 V N -0.693 119.241 119.914 0.033 0.000 2.255 424 V HA -0.279 3.841 4.120 -0.001 0.000 0.247 424 V C 2.556 178.671 176.094 0.035 0.000 1.051 424 V CA 1.794 64.117 62.300 0.038 0.000 1.018 424 V CB -0.462 31.387 31.823 0.043 0.000 0.641 424 V HN 0.384 nan 8.190 nan 0.000 0.445 425 E N 0.342 120.559 120.200 0.028 0.000 2.031 425 E HA -0.167 4.183 4.350 -0.001 0.000 0.193 425 E C 2.262 178.867 176.600 0.009 0.000 0.994 425 E CA 1.750 58.164 56.400 0.023 0.000 0.800 425 E CB -0.762 28.950 29.700 0.021 0.000 0.752 425 E HN 0.588 nan 8.360 nan 0.000 0.447 426 V N -1.201 118.708 119.914 -0.008 0.000 2.490 426 V HA -0.195 3.925 4.120 -0.001 0.000 0.250 426 V C 2.000 178.072 176.094 -0.037 0.000 1.061 426 V CA 2.118 64.391 62.300 -0.045 0.000 1.064 426 V CB -0.730 31.035 31.823 -0.097 0.000 0.670 426 V HN 0.064 nan 8.190 nan 0.000 0.461 427 S N 0.448 116.149 115.700 0.001 0.000 2.387 427 S HA -0.027 4.443 4.470 -0.001 0.000 0.226 427 S C 2.056 176.673 174.600 0.028 0.000 1.026 427 S CA 1.430 59.643 58.200 0.021 0.000 0.972 427 S CB -0.386 62.835 63.200 0.034 0.000 0.814 427 S HN 0.626 nan 8.310 nan 0.000 0.477 428 R N 1.551 122.076 120.500 0.042 0.000 2.096 428 R HA 0.004 4.344 4.340 -0.001 0.000 0.235 428 R C 1.968 178.306 176.300 0.064 0.000 1.127 428 R CA 1.541 57.682 56.100 0.069 0.000 0.968 428 R CB -0.397 29.948 30.300 0.075 0.000 0.861 428 R HN 0.492 nan 8.270 nan 0.000 0.440 429 N N 0.387 119.109 118.700 0.036 0.000 2.135 429 N HA -0.064 4.675 4.740 -0.001 0.000 0.186 429 N C 1.766 177.289 175.510 0.022 0.000 1.027 429 N CA 0.678 53.742 53.050 0.023 0.000 0.849 429 N CB -0.033 38.459 38.487 0.009 0.000 1.002 429 N HN 0.059 nan 8.380 nan 0.000 0.425 430 L N 0.437 121.669 121.223 0.016 0.000 2.043 430 L HA -0.148 4.192 4.340 -0.001 0.000 0.212 430 L C 2.540 179.492 176.870 0.137 0.000 1.075 430 L CA 1.313 56.177 54.840 0.041 0.000 0.752 430 L CB -0.943 41.119 42.059 0.005 0.000 0.891 430 L HN 0.315 nan 8.230 nan 0.000 0.432 431 G N 0.033 108.931 108.800 0.162 0.000 2.450 431 G HA2 -0.249 3.711 3.960 -0.001 0.000 0.220 431 G HA3 -0.249 3.711 3.960 -0.001 0.000 0.220 431 G C 1.698 176.733 174.900 0.225 0.000 1.130 431 G CA 0.687 45.994 45.100 0.346 0.000 0.760 431 G HN 0.349 nan 8.290 nan 0.000 0.557 432 K N -0.253 120.203 120.400 0.093 0.000 2.155 432 K HA 0.097 4.416 4.320 -0.001 0.000 0.203 432 K C 2.450 178.975 176.600 -0.124 0.000 1.052 432 K CA 0.738 57.020 56.287 -0.007 0.000 0.948 432 K CB -0.173 32.308 32.500 -0.031 0.000 0.728 432 K HN 0.196 nan 8.250 nan 0.000 0.448 433 V N 0.826 120.679 119.914 -0.102 0.000 2.515 433 V HA -0.107 4.013 4.120 -0.001 0.000 0.250 433 V C 1.908 177.892 176.094 -0.184 0.000 1.058 433 V CA 2.284 64.482 62.300 -0.169 0.000 1.064 433 V CB -0.588 31.212 31.823 -0.038 0.000 0.675 433 V HN 0.400 nan 8.190 nan 0.000 0.461 434 G N -0.626 108.089 108.800 -0.142 0.000 2.446 434 G HA2 -0.330 3.629 3.960 -0.001 0.000 0.217 434 G HA3 -0.330 3.629 3.960 -0.001 0.000 0.217 434 G C 1.910 176.252 174.900 -0.929 0.000 1.168 434 G CA 1.344 46.162 45.100 -0.470 0.000 0.771 434 G HN 0.658 nan 8.290 nan 0.000 0.551 435 S N 1.042 116.343 115.700 -0.666 0.000 2.406 435 S HA -0.053 4.417 4.470 -0.001 0.000 0.228 435 S C 2.268 176.660 174.600 -0.346 0.000 1.020 435 S CA 1.691 59.579 58.200 -0.520 0.000 0.965 435 S CB -0.226 62.963 63.200 -0.019 0.000 0.798 435 S HN 0.609 nan 8.310 nan 0.000 0.488 436 K N -0.207 120.000 120.400 -0.321 0.000 2.166 436 K HA 0.102 4.421 4.320 -0.001 0.000 0.201 436 K C 2.058 178.459 176.600 -0.331 0.000 1.052 436 K CA 1.122 57.228 56.287 -0.301 0.000 0.969 436 K CB -0.743 31.564 32.500 -0.323 0.000 0.761 436 K HN 0.420 nan 8.250 nan 0.000 0.459 437 c N 1.283 119.712 118.600 -0.286 0.000 2.485 437 c HA 0.090 4.660 4.570 -0.001 0.000 0.278 437 c C 2.742 176.710 174.090 -0.204 0.000 1.356 437 c CA -0.205 56.023 56.329 -0.168 0.000 1.747 437 c CB -0.774 41.735 42.510 -0.002 0.000 2.001 437 c HN 0.598 nan 8.230 nan 0.000 0.501 438 c N 1.463 119.869 118.600 -0.324 0.000 2.449 438 c HA -0.045 4.525 4.570 -0.001 0.000 0.283 438 c C 2.395 176.376 174.090 -0.182 0.000 1.453 438 c CA 0.764 56.928 56.329 -0.276 0.000 1.779 438 c CB -1.170 41.057 42.510 -0.472 0.000 1.779 438 c HN 0.570 nan 8.230 nan 0.000 0.546 439 K N 0.190 120.452 120.400 -0.231 0.000 2.366 439 K HA 0.052 4.372 4.320 -0.001 0.000 0.198 439 K C 0.426 176.948 176.600 -0.130 0.000 1.044 439 K CA 0.549 56.733 56.287 -0.172 0.000 0.973 439 K CB -0.399 31.979 32.500 -0.202 0.000 0.767 439 K HN 0.592 nan 8.250 nan 0.000 0.475 440 H N 1.920 120.967 119.070 -0.038 0.000 2.707 440 H HA 0.117 4.673 4.556 -0.001 0.000 0.359 440 H C -1.880 173.436 175.328 -0.019 0.000 1.113 440 H CA -2.199 53.836 56.048 -0.022 0.000 1.422 440 H CB -0.131 29.622 29.762 -0.015 0.000 1.443 440 H HN -0.012 nan 8.280 nan 0.000 0.591 441 P HA -0.036 nan 4.420 nan 0.000 0.272 441 P C 0.994 178.330 177.300 0.060 0.000 1.254 441 P CA -0.301 62.837 63.100 0.065 0.000 0.795 441 P CB 1.184 32.906 31.700 0.037 0.000 1.022 442 E N 0.537 120.760 120.200 0.038 0.000 2.097 442 E HA -0.201 4.148 4.350 -0.001 0.000 0.196 442 E C 1.765 178.381 176.600 0.027 0.000 1.000 442 E CA 1.972 58.393 56.400 0.035 0.000 0.804 442 E CB -0.714 29.004 29.700 0.031 0.000 0.740 442 E HN 0.525 nan 8.360 nan 0.000 0.454 443 A N 0.179 123.002 122.820 0.005 0.000 2.235 443 A HA -0.032 4.288 4.320 -0.001 0.000 0.208 443 A C 1.521 179.072 177.584 -0.054 0.000 1.172 443 A CA 0.684 52.711 52.037 -0.017 0.000 0.786 443 A CB 0.091 19.067 19.000 -0.040 0.000 0.804 443 A HN -0.080 nan 8.150 nan 0.000 0.479 444 K N -1.044 119.317 120.400 -0.066 0.000 2.402 444 K HA 0.286 4.606 4.320 -0.001 0.000 0.204 444 K C 1.641 178.177 176.600 -0.106 0.000 1.056 444 K CA 0.082 56.261 56.287 -0.180 0.000 1.069 444 K CB 0.202 32.440 32.500 -0.437 0.000 0.888 444 K HN 0.378 nan 8.250 nan 0.000 0.546 445 R N -0.222 120.289 120.500 0.020 0.000 2.075 445 R HA 0.120 4.459 4.340 -0.001 0.000 0.226 445 R C 2.031 178.371 176.300 0.066 0.000 1.114 445 R CA 1.101 57.255 56.100 0.088 0.000 0.972 445 R CB -0.052 30.292 30.300 0.074 0.000 0.869 445 R HN 0.160 nan 8.270 nan 0.000 0.437 446 M N 1.039 120.664 119.600 0.042 0.000 2.086 446 M HA -0.076 4.403 4.480 -0.001 0.000 0.261 446 M C -0.972 175.341 176.300 0.022 0.000 1.067 446 M CA 1.739 57.060 55.300 0.036 0.000 1.116 446 M CB -0.680 31.945 32.600 0.042 0.000 1.348 446 M HN -0.087 nan 8.290 nan 0.000 0.407 447 P HA -0.160 nan 4.420 nan 0.000 0.215 447 P C 1.727 179.028 177.300 0.001 0.000 1.153 447 P CA 1.313 64.395 63.100 -0.030 0.000 0.853 447 P CB -0.517 31.134 31.700 -0.082 0.000 0.788 448 c N -0.052 118.579 118.600 0.052 0.000 2.413 448 c HA -0.118 4.452 4.570 -0.001 0.000 0.278 448 c C 2.917 177.126 174.090 0.198 0.000 1.224 448 c CA 1.880 58.317 56.329 0.180 0.000 1.732 448 c CB -1.602 41.134 42.510 0.378 0.000 2.050 448 c HN 0.243 nan 8.230 nan 0.000 0.463 449 A N -0.129 122.779 122.820 0.147 0.000 1.883 449 A HA -0.262 4.058 4.320 -0.001 0.000 0.217 449 A C 2.203 179.846 177.584 0.099 0.000 1.186 449 A CA 2.141 54.255 52.037 0.127 0.000 0.624 449 A CB -1.088 17.958 19.000 0.077 0.000 0.822 449 A HN 0.827 nan 8.150 nan 0.000 0.444 450 E N -0.206 120.028 120.200 0.055 0.000 2.049 450 E HA -0.302 4.048 4.350 -0.001 0.000 0.198 450 E C 1.651 178.262 176.600 0.019 0.000 1.007 450 E CA 1.745 58.166 56.400 0.034 0.000 0.809 450 E CB -0.306 29.406 29.700 0.021 0.000 0.749 450 E HN 0.612 nan 8.360 nan 0.000 0.450 451 D N -0.986 119.398 120.400 -0.026 0.000 2.137 451 D HA -0.217 4.423 4.640 -0.001 0.000 0.189 451 D C 1.796 177.985 176.300 -0.185 0.000 0.998 451 D CA 2.066 55.971 54.000 -0.157 0.000 0.839 451 D CB -0.206 40.376 40.800 -0.363 0.000 0.962 451 D HN 0.281 nan 8.370 nan 0.000 0.446 452 Y N -0.440 119.878 120.300 0.031 0.000 2.220 452 Y HA -0.041 4.508 4.550 -0.001 0.000 0.291 452 Y C 2.088 177.984 175.900 -0.007 0.000 1.129 452 Y CA 0.329 58.438 58.100 0.017 0.000 1.161 452 Y CB -0.300 38.170 38.460 0.016 0.000 0.997 452 Y HN 0.061 nan 8.280 nan 0.000 0.522 453 L N -0.219 121.082 121.223 0.131 0.000 2.083 453 L HA -0.186 4.154 4.340 -0.001 0.000 0.209 453 L C 2.587 179.448 176.870 -0.016 0.000 1.083 453 L CA 2.197 57.055 54.840 0.030 0.000 0.752 453 L CB -1.668 40.397 42.059 0.009 0.000 0.899 453 L HN 0.375 nan 8.230 nan 0.000 0.433 454 S N -1.452 114.249 115.700 0.003 0.000 2.402 454 S HA -0.127 4.343 4.470 -0.001 0.000 0.229 454 S C 2.095 176.687 174.600 -0.013 0.000 1.021 454 S CA 1.210 59.407 58.200 -0.005 0.000 0.974 454 S CB -0.673 62.538 63.200 0.017 0.000 0.800 454 S HN 0.152 nan 8.310 nan 0.000 0.484 455 V N 1.518 121.429 119.914 -0.005 0.000 2.261 455 V HA -0.126 3.994 4.120 -0.001 0.000 0.246 455 V C 2.705 178.797 176.094 -0.003 0.000 1.047 455 V CA 1.887 64.189 62.300 0.003 0.000 1.015 455 V CB -0.580 31.262 31.823 0.031 0.000 0.642 455 V HN 0.508 nan 8.190 nan 0.000 0.446 456 V N -0.291 119.618 119.914 -0.008 0.000 2.427 456 V HA -0.208 3.912 4.120 -0.001 0.000 0.248 456 V C 2.187 178.210 176.094 -0.119 0.000 1.051 456 V CA 1.715 63.987 62.300 -0.046 0.000 1.048 456 V CB -0.467 31.327 31.823 -0.049 0.000 0.666 456 V HN 0.430 nan 8.190 nan 0.000 0.456 457 L N -0.065 121.059 121.223 -0.165 0.000 2.044 457 L HA -0.110 4.230 4.340 -0.001 0.000 0.205 457 L C 2.433 179.242 176.870 -0.101 0.000 1.075 457 L CA 1.842 56.526 54.840 -0.260 0.000 0.747 457 L CB -0.844 41.029 42.059 -0.311 0.000 0.903 457 L HN 0.366 nan 8.230 nan 0.000 0.435 458 N N -0.206 118.472 118.700 -0.037 0.000 2.149 458 N HA -0.233 4.507 4.740 -0.001 0.000 0.188 458 N C 1.984 177.499 175.510 0.009 0.000 1.019 458 N CA 1.293 54.348 53.050 0.010 0.000 0.857 458 N CB 0.035 38.531 38.487 0.014 0.000 0.997 458 N HN 0.196 nan 8.380 nan 0.000 0.426 459 Q N -0.349 119.448 119.800 -0.006 0.000 2.119 459 Q HA -0.081 4.259 4.340 -0.001 0.000 0.201 459 Q C 1.852 177.859 176.000 0.012 0.000 0.972 459 Q CA 0.533 56.339 55.803 0.005 0.000 0.847 459 Q CB -0.418 28.323 28.738 0.006 0.000 0.903 459 Q HN 0.385 nan 8.270 nan 0.000 0.433 460 L N 0.480 121.694 121.223 -0.015 0.000 2.013 460 L HA -0.214 4.125 4.340 -0.001 0.000 0.212 460 L C 2.214 179.129 176.870 0.075 0.000 1.073 460 L CA 1.893 56.729 54.840 -0.005 0.000 0.753 460 L CB -1.247 40.746 42.059 -0.111 0.000 0.890 460 L HN 0.215 nan 8.230 nan 0.000 0.432 461 c N -1.887 116.764 118.600 0.085 0.000 2.450 461 c HA -0.035 4.535 4.570 -0.001 0.000 0.279 461 c C 2.747 176.906 174.090 0.114 0.000 1.335 461 c CA 0.645 57.060 56.329 0.143 0.000 1.749 461 c CB -0.662 41.939 42.510 0.150 0.000 1.963 461 c HN 0.484 nan 8.230 nan 0.000 0.501 462 V N 0.822 120.777 119.914 0.067 0.000 2.307 462 V HA -0.199 3.921 4.120 -0.001 0.000 0.245 462 V C 2.343 178.465 176.094 0.046 0.000 1.045 462 V CA 1.632 63.957 62.300 0.041 0.000 1.024 462 V CB -0.665 31.169 31.823 0.018 0.000 0.651 462 V HN 0.520 nan 8.190 nan 0.000 0.449 463 L N -0.613 120.645 121.223 0.058 0.000 1.944 463 L HA -0.279 4.060 4.340 -0.001 0.000 0.218 463 L C 2.663 179.581 176.870 0.080 0.000 1.075 463 L CA 2.377 57.253 54.840 0.059 0.000 0.767 463 L CB -0.999 41.099 42.059 0.066 0.000 0.890 463 L HN 0.441 nan 8.230 nan 0.000 0.434 464 H N 0.827 119.915 119.070 0.030 0.000 2.321 464 H HA -0.181 4.374 4.556 -0.000 0.000 0.295 464 H C 0.567 175.909 175.328 0.023 0.000 1.102 464 H CA 1.448 57.517 56.048 0.034 0.000 1.266 464 H CB -0.104 29.692 29.762 0.057 0.000 1.363 464 H HN 0.481 nan 8.280 nan 0.000 0.492 465 E N 1.088 121.313 120.200 0.042 0.000 2.442 465 E HA -0.033 4.317 4.350 -0.001 0.000 0.262 465 E C 0.592 177.155 176.600 -0.061 0.000 1.004 465 E CA 0.102 56.490 56.400 -0.020 0.000 0.928 465 E CB 0.527 30.238 29.700 0.020 0.000 0.937 465 E HN 0.090 nan 8.360 nan 0.000 0.446 466 K N 1.103 121.456 120.400 -0.079 0.000 3.547 466 K HA -0.152 4.167 4.320 -0.001 0.000 0.309 466 K C -0.368 176.183 176.600 -0.081 0.000 1.324 466 K CA 1.683 57.930 56.287 -0.067 0.000 0.988 466 K CB -2.130 30.345 32.500 -0.040 0.000 1.261 466 K HN 0.769 nan 8.250 nan 0.000 0.444 467 T N 0.630 115.103 114.554 -0.134 0.000 4.152 467 T HA 0.182 4.532 4.350 -0.001 0.000 0.237 467 T C -2.861 171.685 174.700 -0.256 0.000 0.971 467 T CA -0.673 61.351 62.100 -0.127 0.000 1.328 467 T CB 1.744 70.576 68.868 -0.061 0.000 0.912 467 T HN -0.150 nan 8.240 nan 0.000 0.587 468 P HA 0.169 nan 4.420 nan 0.000 0.267 468 P C 0.981 178.129 177.300 -0.253 0.000 1.205 468 P CA -0.130 62.584 63.100 -0.644 0.000 0.765 468 P CB 0.890 32.387 31.700 -0.339 0.000 0.828 469 V N 0.076 119.969 119.914 -0.036 0.000 3.562 469 V HA 0.331 4.450 4.120 -0.001 0.000 0.270 469 V C 0.363 176.608 176.094 0.252 0.000 1.418 469 V CA 0.375 62.774 62.300 0.166 0.000 1.033 469 V CB 0.343 32.275 31.823 0.183 0.000 0.820 469 V HN 0.495 nan 8.190 nan 0.000 0.441 470 S N 1.789 117.756 115.700 0.445 0.000 2.668 470 S HA 0.274 4.744 4.470 -0.001 0.000 0.277 470 S C 0.611 175.305 174.600 0.156 0.000 1.170 470 S CA 0.142 58.465 58.200 0.205 0.000 0.994 470 S CB 1.534 64.783 63.200 0.082 0.000 1.051 470 S HN 0.626 nan 8.310 nan 0.000 0.484 471 D N 5.093 125.547 120.400 0.091 0.000 2.158 471 D HA -0.228 4.412 4.640 -0.001 0.000 0.197 471 D C 1.344 177.640 176.300 -0.006 0.000 0.995 471 D CA 1.088 55.118 54.000 0.051 0.000 0.846 471 D CB -0.021 40.799 40.800 0.033 0.000 0.941 471 D HN 0.568 nan 8.370 nan 0.000 0.456 472 R N 0.448 120.925 120.500 -0.038 0.000 2.092 472 R HA -0.017 4.323 4.340 -0.001 0.000 0.231 472 R C 2.734 178.906 176.300 -0.213 0.000 1.119 472 R CA 0.989 57.026 56.100 -0.105 0.000 0.970 472 R CB -0.379 29.870 30.300 -0.085 0.000 0.864 472 R HN 0.112 nan 8.270 nan 0.000 0.440 473 V N 0.549 120.317 119.914 -0.243 0.000 2.407 473 V HA -0.235 3.884 4.120 -0.001 0.000 0.248 473 V C 1.958 177.880 176.094 -0.287 0.000 1.055 473 V CA 2.256 64.312 62.300 -0.407 0.000 1.049 473 V CB -0.678 30.743 31.823 -0.669 0.000 0.662 473 V HN 0.414 nan 8.190 nan 0.000 0.455 474 T N -0.793 113.714 114.554 -0.078 0.000 2.821 474 T HA -0.170 4.180 4.350 -0.001 0.000 0.267 474 T C 1.945 176.627 174.700 -0.030 0.000 1.046 474 T CA 1.160 63.289 62.100 0.048 0.000 1.139 474 T CB -0.153 68.786 68.868 0.119 0.000 0.871 474 T HN 0.368 nan 8.240 nan 0.000 0.454 475 K N 0.480 120.834 120.400 -0.077 0.000 1.991 475 K HA -0.128 4.191 4.320 -0.001 0.000 0.212 475 K C 2.554 179.069 176.600 -0.141 0.000 1.049 475 K CA 1.607 57.841 56.287 -0.089 0.000 0.932 475 K CB -0.536 31.907 32.500 -0.096 0.000 0.717 475 K HN 0.344 nan 8.250 nan 0.000 0.441 476 c N 0.203 118.619 118.600 -0.306 0.000 2.422 476 c HA -0.127 4.443 4.570 -0.001 0.000 0.279 476 c C 2.800 176.791 174.090 -0.166 0.000 1.305 476 c CA 0.305 56.382 56.329 -0.420 0.000 1.757 476 c CB -0.921 40.849 42.510 -1.232 0.000 1.962 476 c HN 0.588 nan 8.230 nan 0.000 0.499 477 c N 0.959 119.507 118.600 -0.087 0.000 2.500 477 c HA 0.016 4.586 4.570 -0.001 0.000 0.273 477 c C 2.397 176.554 174.090 0.111 0.000 1.428 477 c CA 1.615 58.008 56.329 0.107 0.000 1.766 477 c CB -1.658 40.933 42.510 0.136 0.000 1.817 477 c HN 0.850 nan 8.230 nan 0.000 0.543 478 T N -4.413 110.185 114.554 0.074 0.000 3.058 478 T HA 0.099 4.449 4.350 -0.001 0.000 0.278 478 T C 0.308 175.083 174.700 0.124 0.000 0.974 478 T CA -0.050 62.105 62.100 0.093 0.000 0.893 478 T CB 0.034 68.933 68.868 0.051 0.000 1.138 478 T HN 0.194 nan 8.240 nan 0.000 0.529 479 E N 3.436 123.689 120.200 0.089 0.000 2.521 479 E HA 0.062 4.412 4.350 -0.001 0.000 0.270 479 E C 0.839 177.534 176.600 0.158 0.000 1.082 479 E CA 0.449 56.900 56.400 0.085 0.000 0.997 479 E CB 0.629 30.348 29.700 0.032 0.000 0.990 479 E HN 0.690 nan 8.360 nan 0.000 0.458 480 S N 1.365 117.113 115.700 0.079 0.000 2.572 480 S HA -0.121 4.349 4.470 -0.001 0.000 0.262 480 S C 1.302 175.740 174.600 -0.271 0.000 1.375 480 S CA -0.095 58.069 58.200 -0.060 0.000 0.996 480 S CB 0.384 63.537 63.200 -0.078 0.000 0.892 480 S HN 0.520 nan 8.310 nan 0.000 0.562 481 L N 1.833 122.615 121.223 -0.734 0.000 2.093 481 L HA 0.033 4.372 4.340 -0.001 0.000 0.208 481 L C 2.064 178.780 176.870 -0.257 0.000 1.085 481 L CA 2.165 56.569 54.840 -0.727 0.000 0.755 481 L CB -0.978 40.508 42.059 -0.955 0.000 0.904 481 L HN 0.847 nan 8.230 nan 0.000 0.435 482 V N -3.435 116.363 119.914 -0.193 0.000 3.649 482 V HA 0.193 4.312 4.120 -0.001 0.000 0.275 482 V C 1.648 177.705 176.094 -0.061 0.000 1.281 482 V CA 0.882 63.125 62.300 -0.096 0.000 1.143 482 V CB -0.792 30.977 31.823 -0.090 0.000 0.892 482 V HN 0.417 nan 8.190 nan 0.000 0.441 483 N N 1.022 119.688 118.700 -0.057 0.000 2.356 483 N HA 0.112 4.852 4.740 -0.001 0.000 0.178 483 N C 1.716 177.236 175.510 0.017 0.000 1.075 483 N CA 0.756 53.793 53.050 -0.022 0.000 0.889 483 N CB 0.022 38.495 38.487 -0.024 0.000 0.999 483 N HN 0.584 nan 8.380 nan 0.000 0.464 484 R N 1.329 121.856 120.500 0.044 0.000 2.082 484 R HA -0.029 4.311 4.340 -0.001 0.000 0.234 484 R C 2.208 178.657 176.300 0.248 0.000 1.136 484 R CA 1.405 57.589 56.100 0.140 0.000 0.935 484 R CB -0.034 30.363 30.300 0.162 0.000 0.842 484 R HN 0.012 nan 8.270 nan 0.000 0.430 485 R N -0.100 120.500 120.500 0.167 0.000 2.066 485 R HA -0.031 4.309 4.340 -0.001 0.000 0.232 485 R C -0.843 175.540 176.300 0.138 0.000 1.131 485 R CA 1.357 57.550 56.100 0.156 0.000 0.955 485 R CB -1.179 29.158 30.300 0.061 0.000 0.851 485 R HN 0.267 nan 8.270 nan 0.000 0.432 486 P HA -0.156 nan 4.420 nan 0.000 0.216 486 P C 1.634 178.967 177.300 0.054 0.000 1.150 486 P CA 1.105 64.234 63.100 0.049 0.000 0.843 486 P CB -0.262 31.446 31.700 0.013 0.000 0.787 487 c N -2.057 116.570 118.600 0.045 0.000 2.453 487 c HA -0.118 4.451 4.570 -0.001 0.000 0.277 487 c C 2.439 176.502 174.090 -0.045 0.000 1.262 487 c CA 0.560 56.867 56.329 -0.035 0.000 1.718 487 c CB -2.071 40.369 42.510 -0.116 0.000 2.031 487 c HN 0.069 nan 8.230 nan 0.000 0.480 488 F N 1.360 121.303 119.950 -0.012 0.000 2.126 488 F HA -0.125 4.401 4.527 -0.001 0.000 0.299 488 F C 2.810 178.621 175.800 0.017 0.000 1.096 488 F CA 2.093 60.084 58.000 -0.015 0.000 1.255 488 F CB -0.544 38.429 39.000 -0.045 0.000 0.997 488 F HN 0.141 nan 8.300 nan 0.000 0.479 489 S N -0.471 115.347 115.700 0.197 0.000 2.423 489 S HA -0.108 4.362 4.470 -0.001 0.000 0.231 489 S C 2.046 176.701 174.600 0.092 0.000 1.014 489 S CA 0.908 59.192 58.200 0.140 0.000 0.965 489 S CB -0.449 62.811 63.200 0.099 0.000 0.785 489 S HN 0.347 nan 8.310 nan 0.000 0.495 490 A N 0.611 123.465 122.820 0.057 0.000 2.238 490 A HA 0.295 4.615 4.320 -0.001 0.000 0.208 490 A C 0.394 177.990 177.584 0.019 0.000 1.177 490 A CA -0.060 51.993 52.037 0.027 0.000 0.804 490 A CB -0.179 18.825 19.000 0.007 0.000 0.823 490 A HN 0.271 nan 8.150 nan 0.000 0.482 491 L N 1.398 122.641 121.223 0.033 0.000 2.490 491 L HA 0.167 4.506 4.340 -0.001 0.000 0.274 491 L C 0.527 177.418 176.870 0.034 0.000 1.201 491 L CA 0.566 55.421 54.840 0.025 0.000 0.869 491 L CB -0.039 42.058 42.059 0.063 0.000 1.123 491 L HN 0.442 nan 8.230 nan 0.000 0.484 492 E N 1.542 121.751 120.200 0.016 0.000 2.303 492 E HA 0.448 4.798 4.350 -0.001 0.000 0.254 492 E C -0.930 175.672 176.600 0.005 0.000 0.979 492 E CA -1.224 55.181 56.400 0.010 0.000 0.843 492 E CB 1.368 31.071 29.700 0.005 0.000 1.245 492 E HN 0.183 nan 8.360 nan 0.000 0.413 493 V N 1.947 121.858 119.914 -0.004 0.000 2.585 493 V HA -0.061 4.058 4.120 -0.001 0.000 0.296 493 V C 0.026 176.121 176.094 0.002 0.000 1.035 493 V CA 0.199 62.493 62.300 -0.010 0.000 1.084 493 V CB 0.677 32.491 31.823 -0.015 0.000 0.953 493 V HN 0.575 nan 8.190 nan 0.000 0.483 494 D N 3.989 124.389 120.400 -0.001 0.000 2.346 494 D HA 0.035 4.675 4.640 -0.001 0.000 0.260 494 D C 0.761 177.096 176.300 0.058 0.000 1.252 494 D CA 0.118 54.133 54.000 0.025 0.000 0.895 494 D CB 1.170 41.980 40.800 0.018 0.000 1.097 494 D HN 0.629 nan 8.370 nan 0.000 0.489 495 E N 1.197 121.429 120.200 0.052 0.000 2.478 495 E HA -0.041 4.309 4.350 -0.001 0.000 0.194 495 E C 1.744 178.387 176.600 0.072 0.000 1.045 495 E CA 0.446 56.880 56.400 0.056 0.000 0.868 495 E CB 0.348 30.068 29.700 0.033 0.000 0.885 495 E HN 0.621 nan 8.360 nan 0.000 0.505 496 T N -2.102 112.505 114.554 0.088 0.000 3.014 496 T HA -0.107 4.242 4.350 -0.001 0.000 0.263 496 T C 0.695 175.467 174.700 0.121 0.000 1.078 496 T CA -0.067 62.085 62.100 0.087 0.000 1.135 496 T CB -0.347 68.570 68.868 0.081 0.000 0.895 496 T HN 0.164 nan 8.240 nan 0.000 0.480 497 Y N 2.527 122.838 120.300 0.019 0.000 2.465 497 Y HA 0.455 5.004 4.550 -0.001 0.000 0.331 497 Y C -0.341 175.575 175.900 0.027 0.000 1.102 497 Y CA -1.042 57.074 58.100 0.026 0.000 1.358 497 Y CB 0.611 39.090 38.460 0.031 0.000 1.213 497 Y HN -0.063 nan 8.280 nan 0.000 0.525 498 V N 9.576 129.219 119.914 -0.452 0.000 2.488 498 V HA 0.186 4.305 4.120 -0.001 0.000 0.277 498 V C -1.912 173.728 176.094 -0.757 0.000 1.046 498 V CA -1.874 60.176 62.300 -0.417 0.000 0.986 498 V CB 0.677 32.339 31.823 -0.268 0.000 0.989 498 V HN 0.772 nan 8.190 nan 0.000 0.475 499 P HA -0.016 nan 4.420 nan 0.000 0.263 499 P C -0.227 177.025 177.300 -0.079 0.000 1.175 499 P CA 0.127 63.163 63.100 -0.106 0.000 0.761 499 P CB 0.382 32.081 31.700 -0.002 0.000 0.794 500 K N 2.669 123.136 120.400 0.112 0.000 2.382 500 K HA 0.012 4.331 4.320 -0.001 0.000 0.275 500 K C 0.288 177.051 176.600 0.271 0.000 1.009 500 K CA -0.075 56.309 56.287 0.161 0.000 0.970 500 K CB 0.322 32.959 32.500 0.229 0.000 0.934 500 K HN 0.382 nan 8.250 nan 0.000 0.479 501 E N 2.564 122.856 120.200 0.153 0.000 2.404 501 E HA -0.013 4.336 4.350 -0.001 0.000 0.261 501 E C -0.756 175.887 176.600 0.073 0.000 1.074 501 E CA -0.286 56.214 56.400 0.167 0.000 0.917 501 E CB 0.409 30.163 29.700 0.089 0.000 0.965 501 E HN 0.453 nan 8.360 nan 0.000 0.433 502 F N 4.217 124.094 119.950 -0.121 0.000 2.608 502 F HA -0.010 4.517 4.527 -0.000 0.000 0.380 502 F C 0.076 175.798 175.800 -0.130 0.000 1.083 502 F CA 0.191 57.972 58.000 -0.364 0.000 1.266 502 F CB 0.389 39.281 39.000 -0.181 0.000 1.076 502 F HN 0.317 nan 8.300 nan 0.000 0.574 503 N N 5.237 123.423 118.700 -0.856 0.000 2.443 503 N HA 0.297 5.037 4.740 -0.001 0.000 0.269 503 N C 0.408 175.226 175.510 -1.153 0.000 0.985 503 N CA 0.217 52.773 53.050 -0.824 0.000 0.921 503 N CB 1.864 40.093 38.487 -0.431 0.000 1.195 503 N HN 0.866 nan 8.380 nan 0.000 0.492 504 A N 4.094 126.334 122.820 -0.966 0.000 1.884 504 A HA -0.222 4.098 4.320 -0.001 0.000 0.219 504 A C 1.665 179.082 177.584 -0.278 0.000 1.197 504 A CA 1.797 53.550 52.037 -0.473 0.000 0.637 504 A CB -0.449 18.504 19.000 -0.078 0.000 0.827 504 A HN 0.788 nan 8.150 nan 0.000 0.450 505 E N -0.699 119.337 120.200 -0.273 0.000 2.153 505 E HA -0.085 4.265 4.350 -0.001 0.000 0.194 505 E C 2.037 178.423 176.600 -0.358 0.000 0.988 505 E CA 1.529 57.788 56.400 -0.235 0.000 0.811 505 E CB -0.563 29.031 29.700 -0.178 0.000 0.746 505 E HN 0.617 nan 8.360 nan 0.000 0.466 506 T N -0.094 114.158 114.554 -0.503 0.000 2.833 506 T HA -0.098 4.251 4.350 -0.001 0.000 0.269 506 T C 0.387 174.547 174.700 -0.901 0.000 1.054 506 T CA 0.934 62.591 62.100 -0.738 0.000 1.135 506 T CB -0.175 68.109 68.868 -0.972 0.000 0.869 506 T HN 0.115 nan 8.240 nan 0.000 0.466 507 F N 1.621 121.414 119.950 -0.262 0.000 2.942 507 F HA 0.357 4.884 4.527 -0.000 0.000 0.324 507 F C 0.200 175.866 175.800 -0.223 0.000 1.265 507 F CA -0.685 57.230 58.000 -0.141 0.000 1.255 507 F CB 0.321 39.445 39.000 0.207 0.000 1.048 507 F HN -0.189 nan 8.300 nan 0.000 0.512 508 T N 0.973 115.212 114.554 -0.526 0.000 2.841 508 T HA 0.615 4.965 4.350 -0.001 0.000 0.285 508 T C -0.807 173.513 174.700 -0.633 0.000 0.991 508 T CA -0.415 61.513 62.100 -0.286 0.000 0.966 508 T CB 1.292 70.060 68.868 -0.167 0.000 0.962 508 T HN -0.101 nan 8.240 nan 0.000 0.438 509 F N 1.292 121.309 119.950 0.112 0.000 2.593 509 F HA 0.595 5.122 4.527 -0.000 0.000 0.320 509 F C 0.821 176.552 175.800 -0.116 0.000 1.060 509 F CA -1.189 56.859 58.000 0.080 0.000 0.940 509 F CB 1.434 40.650 39.000 0.361 0.000 1.268 509 F HN 0.534 nan 8.300 nan 0.000 0.475 510 H N -0.151 118.997 119.070 0.130 0.000 3.424 510 H HA 0.598 5.153 4.556 -0.000 0.000 0.249 510 H C 0.640 175.230 175.328 -1.230 0.000 1.664 510 H CA -0.332 55.460 56.048 -0.427 0.000 1.629 510 H CB 0.796 30.404 29.762 -0.257 0.000 1.444 510 H HN 0.632 nan 8.280 nan 0.000 0.927 511 A N 0.456 122.615 122.820 -1.101 0.000 2.016 511 A HA -0.129 4.191 4.320 -0.001 0.000 0.217 511 A C 1.672 179.111 177.584 -0.243 0.000 1.162 511 A CA 1.154 52.651 52.037 -0.901 0.000 0.662 511 A CB -0.505 18.222 19.000 -0.455 0.000 0.812 511 A HN 0.728 nan 8.150 nan 0.000 0.450 512 D N 0.863 121.172 120.400 -0.153 0.000 2.127 512 D HA -0.284 4.356 4.640 -0.001 0.000 0.190 512 D C 1.870 178.182 176.300 0.020 0.000 1.000 512 D CA 1.592 55.567 54.000 -0.042 0.000 0.839 512 D CB -0.945 39.841 40.800 -0.025 0.000 0.955 512 D HN 0.484 nan 8.370 nan 0.000 0.446 513 I N 1.034 121.648 120.570 0.074 0.000 2.285 513 I HA -0.352 3.818 4.170 -0.001 0.000 0.253 513 I C 1.973 178.139 176.117 0.082 0.000 1.104 513 I CA 1.430 62.801 61.300 0.119 0.000 1.372 513 I CB -0.029 38.094 38.000 0.204 0.000 1.057 513 I HN 0.114 nan 8.210 nan 0.000 0.431 514 c N 0.128 118.773 118.600 0.076 0.000 2.429 514 c HA -0.150 4.419 4.570 -0.001 0.000 0.277 514 c C 2.781 176.890 174.090 0.033 0.000 1.262 514 c CA 1.513 57.876 56.329 0.057 0.000 1.733 514 c CB -1.871 40.690 42.510 0.086 0.000 2.010 514 c HN 0.698 nan 8.230 nan 0.000 0.483 515 T N -1.558 113.011 114.554 0.025 0.000 3.040 515 T HA 0.246 4.596 4.350 -0.001 0.000 0.252 515 T C 0.676 175.385 174.700 0.014 0.000 1.064 515 T CA 0.059 62.168 62.100 0.014 0.000 1.110 515 T CB -0.294 68.577 68.868 0.006 0.000 0.921 515 T HN 0.368 nan 8.240 nan 0.000 0.480 516 L N 3.083 124.318 121.223 0.021 0.000 2.483 516 L HA 0.208 4.547 4.340 -0.001 0.000 0.277 516 L C 1.466 178.346 176.870 0.017 0.000 1.248 516 L CA -0.334 54.519 54.840 0.022 0.000 0.825 516 L CB 0.163 42.242 42.059 0.034 0.000 1.096 516 L HN 0.451 nan 8.230 nan 0.000 0.512 517 S N 0.312 116.021 115.700 0.015 0.000 2.611 517 S HA -0.051 4.418 4.470 -0.001 0.000 0.252 517 S C 1.030 175.630 174.600 -0.000 0.000 1.369 517 S CA -0.250 57.954 58.200 0.008 0.000 0.975 517 S CB 0.763 63.969 63.200 0.010 0.000 0.937 517 S HN 0.656 nan 8.310 nan 0.000 0.584 518 E N 1.003 121.196 120.200 -0.013 0.000 2.012 518 E HA -0.189 4.161 4.350 -0.001 0.000 0.197 518 E C 2.035 178.612 176.600 -0.039 0.000 1.007 518 E CA 1.641 58.019 56.400 -0.037 0.000 0.816 518 E CB -0.595 29.082 29.700 -0.039 0.000 0.762 518 E HN 0.784 nan 8.360 nan 0.000 0.451 519 K N 0.624 121.015 120.400 -0.015 0.000 2.015 519 K HA -0.241 4.079 4.320 -0.001 0.000 0.216 519 K C 2.059 178.669 176.600 0.017 0.000 1.052 519 K CA 2.240 58.529 56.287 0.004 0.000 0.937 519 K CB -0.114 32.398 32.500 0.018 0.000 0.719 519 K HN 0.118 nan 8.250 nan 0.000 0.446 520 E N -0.194 120.021 120.200 0.024 0.000 2.077 520 E HA -0.209 4.140 4.350 -0.001 0.000 0.193 520 E C 2.289 178.923 176.600 0.057 0.000 0.989 520 E CA 0.891 57.316 56.400 0.041 0.000 0.800 520 E CB -0.134 29.589 29.700 0.037 0.000 0.746 520 E HN 0.279 nan 8.360 nan 0.000 0.452 521 R N 1.078 121.605 120.500 0.045 0.000 2.105 521 R HA -0.217 4.123 4.340 -0.001 0.000 0.239 521 R C 2.280 178.618 176.300 0.063 0.000 1.135 521 R CA 1.607 57.745 56.100 0.064 0.000 0.967 521 R CB -0.003 30.318 30.300 0.035 0.000 0.861 521 R HN 0.254 nan 8.270 nan 0.000 0.442 522 Q N 0.016 119.824 119.800 0.014 0.000 2.050 522 Q HA -0.169 4.170 4.340 -0.001 0.000 0.202 522 Q C 2.223 178.309 176.000 0.143 0.000 0.980 522 Q CA 1.799 57.630 55.803 0.047 0.000 0.840 522 Q CB -0.086 28.645 28.738 -0.013 0.000 0.898 522 Q HN 0.429 nan 8.270 nan 0.000 0.424 523 I N 0.576 121.208 120.570 0.104 0.000 2.142 523 I HA -0.316 3.854 4.170 -0.001 0.000 0.240 523 I C 2.498 178.679 176.117 0.105 0.000 1.078 523 I CA 1.214 62.573 61.300 0.098 0.000 1.343 523 I CB -0.351 37.693 38.000 0.073 0.000 1.046 523 I HN 0.174 nan 8.210 nan 0.000 0.405 524 K N 1.517 121.987 120.400 0.118 0.000 2.001 524 K HA -0.252 4.067 4.320 -0.001 0.000 0.214 524 K C 2.125 178.829 176.600 0.172 0.000 1.050 524 K CA 2.026 58.408 56.287 0.159 0.000 0.934 524 K CB -0.039 32.583 32.500 0.204 0.000 0.718 524 K HN 0.211 nan 8.250 nan 0.000 0.443 525 K N 0.330 120.819 120.400 0.148 0.000 2.063 525 K HA -0.221 4.099 4.320 -0.001 0.000 0.208 525 K C 2.320 178.932 176.600 0.020 0.000 1.048 525 K CA 1.931 58.232 56.287 0.024 0.000 0.928 525 K CB -0.155 32.374 32.500 0.047 0.000 0.713 525 K HN 0.265 nan 8.250 nan 0.000 0.442 526 Q N 0.177 120.031 119.800 0.090 0.000 2.167 526 Q HA -0.093 4.247 4.340 -0.001 0.000 0.202 526 Q C 2.057 178.090 176.000 0.055 0.000 0.970 526 Q CA 1.574 57.416 55.803 0.066 0.000 0.855 526 Q CB -0.051 28.742 28.738 0.092 0.000 0.911 526 Q HN 0.322 nan 8.270 nan 0.000 0.438 527 T N 0.782 115.377 114.554 0.069 0.000 2.643 527 T HA -0.197 4.152 4.350 -0.001 0.000 0.264 527 T C 1.924 176.660 174.700 0.059 0.000 1.045 527 T CA 1.312 63.444 62.100 0.053 0.000 1.155 527 T CB -0.451 68.445 68.868 0.046 0.000 0.863 527 T HN 0.423 nan 8.240 nan 0.000 0.420 528 A N 1.569 124.451 122.820 0.103 0.000 1.903 528 A HA -0.135 4.184 4.320 -0.001 0.000 0.219 528 A C 2.263 179.974 177.584 0.210 0.000 1.191 528 A CA 1.861 54.007 52.037 0.182 0.000 0.638 528 A CB -0.988 18.228 19.000 0.360 0.000 0.823 528 A HN 0.423 nan 8.150 nan 0.000 0.451 529 L N 0.044 121.322 121.223 0.091 0.000 2.017 529 L HA -0.121 4.219 4.340 -0.001 0.000 0.208 529 L C 2.400 179.329 176.870 0.099 0.000 1.073 529 L CA 2.219 57.101 54.840 0.069 0.000 0.745 529 L CB -0.867 41.187 42.059 -0.010 0.000 0.894 529 L HN 0.166 nan 8.230 nan 0.000 0.432 530 V N 0.091 120.050 119.914 0.074 0.000 2.255 530 V HA -0.275 3.845 4.120 -0.001 0.000 0.247 530 V C 2.692 178.860 176.094 0.123 0.000 1.051 530 V CA 1.948 64.291 62.300 0.072 0.000 1.018 530 V CB -0.848 31.004 31.823 0.048 0.000 0.641 530 V HN 0.465 nan 8.190 nan 0.000 0.445 531 E N -0.153 120.125 120.200 0.130 0.000 2.171 531 E HA -0.250 4.100 4.350 -0.001 0.000 0.197 531 E C 2.046 178.911 176.600 0.442 0.000 0.997 531 E CA 1.360 57.862 56.400 0.169 0.000 0.810 531 E CB -0.464 29.184 29.700 -0.087 0.000 0.738 531 E HN 0.523 nan 8.360 nan 0.000 0.467 532 L N 0.240 121.736 121.223 0.456 0.000 2.044 532 L HA -0.113 4.227 4.340 -0.001 0.000 0.205 532 L C 2.258 179.280 176.870 0.253 0.000 1.075 532 L CA 1.295 56.371 54.840 0.393 0.000 0.747 532 L CB -0.538 41.650 42.059 0.215 0.000 0.903 532 L HN -0.103 nan 8.230 nan 0.000 0.435 533 V N -0.060 119.956 119.914 0.170 0.000 2.407 533 V HA -0.274 3.846 4.120 -0.001 0.000 0.248 533 V C 2.560 178.739 176.094 0.143 0.000 1.055 533 V CA 2.008 64.373 62.300 0.108 0.000 1.049 533 V CB -0.857 30.990 31.823 0.039 0.000 0.662 533 V HN 0.453 nan 8.190 nan 0.000 0.455 534 K N -0.600 119.912 120.400 0.185 0.000 2.211 534 K HA -0.231 4.089 4.320 -0.001 0.000 0.204 534 K C 2.216 179.057 176.600 0.402 0.000 1.047 534 K CA 1.719 58.167 56.287 0.269 0.000 0.935 534 K CB -0.253 32.395 32.500 0.246 0.000 0.728 534 K HN 0.554 nan 8.250 nan 0.000 0.452 535 H N 0.636 119.862 119.070 0.260 0.000 2.384 535 H HA 0.101 4.656 4.556 -0.000 0.000 0.300 535 H C 0.059 175.491 175.328 0.174 0.000 1.057 535 H CA 1.064 57.258 56.048 0.242 0.000 1.370 535 H CB 0.533 30.481 29.762 0.309 0.000 1.417 535 H HN -0.236 nan 8.280 nan 0.000 0.527 536 K N 1.652 122.071 120.400 0.033 0.000 2.800 536 K HA 0.191 4.511 4.320 -0.001 0.000 0.185 536 K C -2.119 174.495 176.600 0.023 0.000 1.082 536 K CA -2.233 54.012 56.287 -0.071 0.000 0.978 536 K CB 1.026 33.457 32.500 -0.116 0.000 1.364 536 K HN 0.304 nan 8.250 nan 0.000 0.592 537 P HA -0.202 nan 4.420 nan 0.000 0.218 537 P C 0.434 177.754 177.300 0.033 0.000 1.146 537 P CA 1.267 64.416 63.100 0.081 0.000 0.820 537 P CB 0.405 32.215 31.700 0.184 0.000 0.778 538 K N -0.572 119.839 120.400 0.018 0.000 2.444 538 K HA 0.235 4.554 4.320 -0.001 0.000 0.193 538 K C 0.969 177.562 176.600 -0.013 0.000 1.024 538 K CA -0.183 56.105 56.287 0.000 0.000 1.077 538 K CB -0.049 32.450 32.500 -0.003 0.000 0.833 538 K HN 0.057 nan 8.250 nan 0.000 0.517 539 A N 2.650 125.460 122.820 -0.017 0.000 2.580 539 A HA -0.024 4.296 4.320 -0.001 0.000 0.244 539 A C 0.794 178.366 177.584 -0.020 0.000 1.045 539 A CA 0.340 52.364 52.037 -0.021 0.000 0.761 539 A CB -0.257 18.732 19.000 -0.018 0.000 0.962 539 A HN 0.385 nan 8.150 nan 0.000 0.512 540 T N 0.307 114.848 114.554 -0.020 0.000 2.726 540 T HA 0.253 4.603 4.350 -0.001 0.000 0.294 540 T C 1.162 175.849 174.700 -0.022 0.000 1.013 540 T CA 0.275 62.363 62.100 -0.020 0.000 0.996 540 T CB 0.629 69.486 68.868 -0.018 0.000 1.016 540 T HN 0.775 nan 8.240 nan 0.000 0.529 541 K N 0.425 120.811 120.400 -0.023 0.000 2.103 541 K HA -0.084 4.236 4.320 -0.001 0.000 0.204 541 K C 1.711 178.300 176.600 -0.018 0.000 1.052 541 K CA 0.960 57.233 56.287 -0.024 0.000 0.945 541 K CB -0.124 32.359 32.500 -0.027 0.000 0.722 541 K HN 0.580 nan 8.250 nan 0.000 0.443 542 E N 1.960 122.151 120.200 -0.015 0.000 2.051 542 E HA -0.214 4.135 4.350 -0.001 0.000 0.192 542 E C 2.177 178.770 176.600 -0.011 0.000 0.991 542 E CA 1.442 57.835 56.400 -0.011 0.000 0.799 542 E CB -0.433 29.261 29.700 -0.010 0.000 0.748 542 E HN 0.529 nan 8.360 nan 0.000 0.449 543 Q N 0.325 120.117 119.800 -0.014 0.000 2.124 543 Q HA -0.067 4.272 4.340 -0.001 0.000 0.202 543 Q C 2.510 178.503 176.000 -0.012 0.000 0.977 543 Q CA 0.905 56.699 55.803 -0.015 0.000 0.850 543 Q CB -0.126 28.600 28.738 -0.020 0.000 0.901 543 Q HN 0.251 nan 8.270 nan 0.000 0.429 544 L N 0.480 121.695 121.223 -0.014 0.000 2.005 544 L HA -0.219 4.121 4.340 -0.001 0.000 0.207 544 L C 2.552 179.420 176.870 -0.003 0.000 1.072 544 L CA 1.325 56.158 54.840 -0.011 0.000 0.744 544 L CB -0.436 41.612 42.059 -0.018 0.000 0.895 544 L HN 0.175 nan 8.230 nan 0.000 0.433 545 K N 0.404 120.801 120.400 -0.005 0.000 2.001 545 K HA -0.265 4.055 4.320 -0.001 0.000 0.214 545 K C 2.107 178.716 176.600 0.015 0.000 1.050 545 K CA 1.823 58.112 56.287 0.003 0.000 0.934 545 K CB -0.264 32.235 32.500 -0.002 0.000 0.718 545 K HN 0.260 nan 8.250 nan 0.000 0.443 546 A N 0.522 123.347 122.820 0.009 0.000 1.927 546 A HA -0.173 4.146 4.320 -0.001 0.000 0.220 546 A C 2.290 179.888 177.584 0.023 0.000 1.185 546 A CA 2.135 54.179 52.037 0.012 0.000 0.639 546 A CB -0.807 18.194 19.000 0.002 0.000 0.820 546 A HN 0.240 nan 8.150 nan 0.000 0.451 547 V N -0.861 119.065 119.914 0.020 0.000 2.548 547 V HA -0.227 3.892 4.120 -0.001 0.000 0.249 547 V C 2.547 178.691 176.094 0.084 0.000 1.055 547 V CA 2.026 64.347 62.300 0.036 0.000 1.065 547 V CB -0.565 31.265 31.823 0.010 0.000 0.681 547 V HN 0.584 nan 8.190 nan 0.000 0.462 548 M N -0.412 119.230 119.600 0.070 0.000 2.175 548 M HA -0.153 4.327 4.480 -0.001 0.000 0.264 548 M C 1.886 178.275 176.300 0.148 0.000 1.063 548 M CA 1.657 57.017 55.300 0.099 0.000 1.119 548 M CB -0.368 32.256 32.600 0.041 0.000 1.377 548 M HN 0.273 nan 8.290 nan 0.000 0.415 549 D N 0.387 120.844 120.400 0.096 0.000 2.144 549 D HA -0.150 4.490 4.640 -0.001 0.000 0.199 549 D C 1.396 177.754 176.300 0.095 0.000 0.984 549 D CA 1.216 55.267 54.000 0.085 0.000 0.834 549 D CB -0.314 40.515 40.800 0.049 0.000 0.955 549 D HN 0.302 nan 8.370 nan 0.000 0.465 550 D N -0.963 119.498 120.400 0.101 0.000 2.289 550 D HA -0.049 4.590 4.640 -0.001 0.000 0.207 550 D C 1.590 177.976 176.300 0.144 0.000 0.966 550 D CA 0.070 54.124 54.000 0.090 0.000 0.868 550 D CB -0.205 40.630 40.800 0.058 0.000 0.943 550 D HN 0.218 nan 8.370 nan 0.000 0.514 551 F N 1.272 121.261 119.950 0.066 0.000 2.234 551 F HA 0.038 4.565 4.527 -0.001 0.000 0.296 551 F C 2.035 177.881 175.800 0.076 0.000 1.089 551 F CA 1.100 59.167 58.000 0.111 0.000 1.343 551 F CB 0.088 39.122 39.000 0.057 0.000 1.040 551 F HN -0.074 nan 8.300 nan 0.000 0.498 552 A N 0.097 123.036 122.820 0.199 0.000 2.066 552 A HA 0.182 4.502 4.320 -0.001 0.000 0.218 552 A C 2.156 179.699 177.584 -0.068 0.000 1.157 552 A CA 1.122 53.197 52.037 0.063 0.000 0.670 552 A CB -1.161 17.931 19.000 0.155 0.000 0.804 552 A HN 0.465 nan 8.150 nan 0.000 0.453 553 A N -1.500 121.302 122.820 -0.031 0.000 2.147 553 A HA 0.275 4.594 4.320 -0.001 0.000 0.211 553 A C 1.735 179.277 177.584 -0.070 0.000 1.160 553 A CA 0.871 52.881 52.037 -0.044 0.000 0.781 553 A CB -0.477 18.522 19.000 -0.002 0.000 0.842 553 A HN 0.667 nan 8.150 nan 0.000 0.475 554 F N 1.310 121.102 119.950 -0.264 0.000 2.234 554 F HA -0.073 4.453 4.527 -0.001 0.000 0.296 554 F C 2.026 177.565 175.800 -0.435 0.000 1.089 554 F CA 1.752 59.555 58.000 -0.328 0.000 1.343 554 F CB -0.487 38.311 39.000 -0.337 0.000 1.040 554 F HN 0.070 nan 8.300 nan 0.000 0.498 555 V N -1.493 117.898 119.914 -0.871 0.000 2.379 555 V HA -0.117 4.003 4.120 -0.001 0.000 0.245 555 V C 2.362 178.181 176.094 -0.458 0.000 1.044 555 V CA 1.891 63.692 62.300 -0.831 0.000 1.036 555 V CB -1.076 30.322 31.823 -0.708 0.000 0.664 555 V HN 0.256 nan 8.190 nan 0.000 0.453 556 E N 1.597 121.617 120.200 -0.301 0.000 2.023 556 E HA -0.196 4.154 4.350 -0.001 0.000 0.196 556 E C 2.116 178.609 176.600 -0.178 0.000 1.003 556 E CA 1.985 58.278 56.400 -0.178 0.000 0.809 556 E CB -0.225 29.407 29.700 -0.112 0.000 0.755 556 E HN 0.672 nan 8.360 nan 0.000 0.449 557 K N -0.887 119.397 120.400 -0.193 0.000 2.314 557 K HA 0.089 4.408 4.320 -0.001 0.000 0.198 557 K C 2.282 178.750 176.600 -0.219 0.000 1.045 557 K CA 0.423 56.615 56.287 -0.158 0.000 0.988 557 K CB -0.437 31.998 32.500 -0.109 0.000 0.783 557 K HN 0.103 nan 8.250 nan 0.000 0.484 558 c N 0.629 119.000 118.600 -0.382 0.000 2.446 558 c HA 0.002 4.572 4.570 -0.001 0.000 0.277 558 c C 1.397 175.234 174.090 -0.422 0.000 1.275 558 c CA -0.195 55.795 56.329 -0.565 0.000 1.727 558 c CB -0.393 41.445 42.510 -1.120 0.000 2.010 558 c HN 0.466 nan 8.230 nan 0.000 0.486 568 F N 1.976 122.029 119.950 0.172 0.000 2.259 568 F HA 0.266 4.792 4.527 -0.000 0.000 0.298 568 F C 2.485 178.457 175.800 0.287 0.000 1.088 568 F CA 1.983 60.153 58.000 0.284 0.000 1.358 568 F CB 0.005 39.108 39.000 0.172 0.000 1.040 568 F HN 0.467 nan 8.300 nan 0.000 0.505 569 A N 0.052 123.071 122.820 0.332 0.000 1.956 569 A HA -0.006 4.314 4.320 -0.001 0.000 0.212 569 A C 1.942 179.602 177.584 0.126 0.000 1.188 569 A CA 0.828 52.989 52.037 0.205 0.000 0.675 569 A CB -0.412 18.686 19.000 0.163 0.000 0.845 569 A HN 0.401 nan 8.150 nan 0.000 0.455 570 E N 0.136 120.401 120.200 0.108 0.000 2.060 570 E HA -0.077 4.273 4.350 -0.001 0.000 0.189 570 E C 1.620 178.234 176.600 0.023 0.000 0.974 570 E CA 0.754 57.189 56.400 0.058 0.000 0.808 570 E CB -0.330 29.401 29.700 0.052 0.000 0.768 570 E HN 0.492 nan 8.360 nan 0.000 0.453 571 E N 1.200 121.419 120.200 0.031 0.000 2.038 571 E HA -0.167 4.183 4.350 -0.001 0.000 0.195 571 E C 2.374 178.855 176.600 -0.198 0.000 1.000 571 E CA 1.400 57.783 56.400 -0.028 0.000 0.803 571 E CB -0.456 29.282 29.700 0.064 0.000 0.750 571 E HN 0.439 nan 8.360 nan 0.000 0.448 572 G N 1.475 110.119 108.800 -0.261 0.000 2.450 572 G HA2 -0.307 3.653 3.960 -0.001 0.000 0.220 572 G HA3 -0.307 3.653 3.960 -0.001 0.000 0.220 572 G C 1.629 176.414 174.900 -0.191 0.000 1.130 572 G CA 0.984 45.765 45.100 -0.532 0.000 0.760 572 G HN 0.191 nan 8.290 nan 0.000 0.557 573 K N 0.505 120.868 120.400 -0.063 0.000 2.097 573 K HA -0.101 4.218 4.320 -0.001 0.000 0.206 573 K C 2.379 178.947 176.600 -0.053 0.000 1.049 573 K CA 1.625 57.903 56.287 -0.015 0.000 0.933 573 K CB -0.061 32.446 32.500 0.012 0.000 0.717 573 K HN 0.476 nan 8.250 nan 0.000 0.442 574 K N -0.034 120.313 120.400 -0.087 0.000 2.367 574 K HA -0.008 4.311 4.320 -0.001 0.000 0.194 574 K C 1.777 178.306 176.600 -0.118 0.000 1.027 574 K CA 0.166 56.403 56.287 -0.084 0.000 1.075 574 K CB 0.187 32.652 32.500 -0.059 0.000 0.845 574 K HN -0.029 nan 8.250 nan 0.000 0.529 575 L N 1.336 122.437 121.223 -0.204 0.000 2.005 575 L HA -0.072 4.267 4.340 -0.001 0.000 0.207 575 L C 1.919 178.714 176.870 -0.125 0.000 1.072 575 L CA 1.466 56.169 54.840 -0.228 0.000 0.744 575 L CB -0.538 41.203 42.059 -0.529 0.000 0.895 575 L HN 0.060 nan 8.230 nan 0.000 0.433 576 V N 0.342 120.200 119.914 -0.094 0.000 2.237 576 V HA -0.287 3.833 4.120 -0.001 0.000 0.245 576 V C 2.833 178.869 176.094 -0.096 0.000 1.046 576 V CA 1.753 64.025 62.300 -0.047 0.000 1.007 576 V CB -1.504 30.354 31.823 0.057 0.000 0.638 576 V HN 0.612 nan 8.190 nan 0.000 0.445 577 A N 0.260 123.025 122.820 -0.092 0.000 1.869 577 A HA -0.295 4.025 4.320 -0.001 0.000 0.218 577 A C 2.448 179.980 177.584 -0.088 0.000 1.203 577 A CA 3.013 54.991 52.037 -0.099 0.000 0.638 577 A CB -1.206 17.750 19.000 -0.073 0.000 0.831 577 A HN 0.664 nan 8.150 nan 0.000 0.450 578 A N -0.821 121.955 122.820 -0.074 0.000 1.908 578 A HA -0.115 4.205 4.320 -0.001 0.000 0.218 578 A C 2.456 180.003 177.584 -0.061 0.000 1.181 578 A CA 2.372 54.373 52.037 -0.060 0.000 0.627 578 A CB -0.953 18.016 19.000 -0.052 0.000 0.818 578 A HN 0.537 nan 8.150 nan 0.000 0.445 579 S N -0.375 115.283 115.700 -0.070 0.000 2.355 579 S HA -0.196 4.274 4.470 -0.001 0.000 0.222 579 S C 1.860 176.412 174.600 -0.081 0.000 1.031 579 S CA 1.382 59.539 58.200 -0.071 0.000 0.993 579 S CB -0.393 62.758 63.200 -0.081 0.000 0.859 579 S HN 0.698 nan 8.310 nan 0.000 0.453 580 Q N 0.135 119.872 119.800 -0.104 0.000 2.576 580 Q HA 0.071 4.411 4.340 -0.001 0.000 0.218 580 Q C 1.376 177.325 176.000 -0.085 0.000 0.983 580 Q CA 0.800 56.541 55.803 -0.104 0.000 0.920 580 Q CB -0.120 28.516 28.738 -0.170 0.000 0.973 580 Q HN 0.596 nan 8.270 nan 0.000 0.528 581 A N -1.223 121.554 122.820 -0.072 0.000 2.498 581 A HA 0.446 4.765 4.320 -0.001 0.000 0.238 581 A C 1.413 178.969 177.584 -0.047 0.000 1.225 581 A CA 0.359 52.361 52.037 -0.058 0.000 0.978 581 A CB 0.506 19.473 19.000 -0.055 0.000 1.142 581 A HN 0.225 nan 8.150 nan 0.000 0.552 582 A N -0.514 122.278 122.820 -0.047 0.000 2.308 582 A HA 0.577 4.897 4.320 -0.001 0.000 0.217 582 A C 1.016 178.576 177.584 -0.039 0.000 1.216 582 A CA 0.511 52.526 52.037 -0.037 0.000 0.864 582 A CB -0.272 18.709 19.000 -0.032 0.000 0.902 582 A HN 0.393 nan 8.150 nan 0.000 0.499 583 L N -1.831 119.362 121.223 -0.049 0.000 3.386 583 L HA 0.380 4.719 4.340 -0.001 0.000 0.307 583 L C 0.879 177.709 176.870 -0.066 0.000 1.235 583 L CA 0.056 54.862 54.840 -0.056 0.000 1.056 583 L CB 0.854 42.875 42.059 -0.064 0.000 1.453 583 L HN 0.286 nan 8.230 nan 0.000 0.615 584 G N 0.000 108.765 108.800 -0.058 0.000 5.446 584 G HA2 0.000 3.960 3.960 -0.001 0.000 0.244 584 G HA3 0.000 3.960 3.960 -0.001 0.000 0.244 584 G CA 0.000 45.068 45.100 -0.054 0.000 0.502 584 G HN 0.000 nan 8.290 nan 0.000 0.925