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 3kbh_1_A DATA FIRST_RESID 19 DATA SEQUENCE STIEEQAKTF LDKFNHEAED LFYQSSLASW NYNTNXTEEN VQNMNNAGDK DATA SEQUENCE WSAFLKEQST LAQMYPLQEI QNLTVKLQLQ ALQQNGSSVL SEDKSKRLNT DATA SEQUENCE ILNTMSTIYS TGKVcNXDNP QEcLLLEPGL NEIMANSLDY NERLWAWESW DATA SEQUENCE RSEVGKQLRP LYEEYVVLKN EMARANHYED YGDYWRGDYE VNGVDGYDYS DATA SEQUENCE RGQLIEDVEH TFEEIKPLYE HLHAYVRAKL MNAYPSYISP IGCLPAHLLG DATA SEQUENCE DMWGRFWTNL YSLTVPFGQK PNIDVTDAMV DQAWDAQRIF KEAEKFFVSV DATA SEQUENCE GLPNMTQGFW ENSMLTDPGN XQKAVcHPTA WDLGKGDFRI LMcTKVTMDD DATA SEQUENCE FLTAHHEMGH IQYDMAYAAQ PFLLRNGANE GFHEAVGEIM SLSAATPKHL DATA SEQUENCE KSIGLLSPDF QEDNETEINF LLKQALTIVG TLPFTYMLEK WRWMVFKGEI DATA SEQUENCE PKDQWMKKWW EMKREIVGVV EPVPHDETYC DPASLFHVSN DYSFIRYYTR DATA SEQUENCE TLYQFQFQEA LcQAAKHEGP LHKcDISNST EAGQKLFNML RLGKSEPWTL DATA SEQUENCE ALENVVGAKN MNVRPLLNYF EPLFTWLKDQ NKNSFVGWST DWSPYA 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 19 S HA 0.000 nan 4.470 nan 0.000 0.327 19 S C 0.000 174.617 174.600 0.028 0.000 1.055 19 S CA 0.000 58.215 58.200 0.025 0.000 1.107 19 S CB 0.000 63.222 63.200 0.036 0.000 0.593 20 T N 4.694 119.266 114.554 0.029 0.000 2.800 20 T HA 0.024 4.375 4.350 0.002 0.000 0.283 20 T C 2.150 176.879 174.700 0.049 0.000 0.999 20 T CA -0.011 62.108 62.100 0.031 0.000 1.176 20 T CB -0.302 68.584 68.868 0.030 0.000 0.973 20 T HN 0.561 nan 8.240 nan 0.000 0.519 21 I N 1.487 122.085 120.570 0.047 0.000 2.530 21 I HA -0.151 4.020 4.170 0.002 0.000 0.257 21 I C 2.070 178.258 176.117 0.119 0.000 1.179 21 I CA 1.332 62.680 61.300 0.081 0.000 1.440 21 I CB -1.149 36.879 38.000 0.048 0.000 1.087 21 I HN 0.714 nan 8.210 nan 0.000 0.440 22 E N 1.737 121.982 120.200 0.074 0.000 2.031 22 E HA -0.274 4.077 4.350 0.002 0.000 0.193 22 E C 2.136 178.775 176.600 0.066 0.000 0.994 22 E CA 1.676 58.113 56.400 0.062 0.000 0.800 22 E CB -0.031 29.693 29.700 0.039 0.000 0.752 22 E HN 0.614 nan 8.360 nan 0.000 0.447 23 E N -0.106 120.131 120.200 0.063 0.000 2.153 23 E HA -0.198 4.153 4.350 0.002 0.000 0.194 23 E C 2.198 178.851 176.600 0.089 0.000 0.988 23 E CA 0.926 57.364 56.400 0.063 0.000 0.811 23 E CB 0.116 29.846 29.700 0.051 0.000 0.746 23 E HN 0.313 nan 8.360 nan 0.000 0.466 24 Q N -0.881 118.991 119.800 0.120 0.000 2.230 24 Q HA -0.045 4.296 4.340 0.002 0.000 0.202 24 Q C 1.924 178.073 176.000 0.247 0.000 0.963 24 Q CA 0.931 56.845 55.803 0.184 0.000 0.866 24 Q CB 0.175 29.033 28.738 0.199 0.000 0.931 24 Q HN 0.218 nan 8.270 nan 0.000 0.452 25 A N 0.818 123.738 122.820 0.166 0.000 2.021 25 A HA -0.091 4.230 4.320 0.002 0.000 0.216 25 A C 1.793 179.386 177.584 0.016 0.000 1.163 25 A CA 0.690 52.675 52.037 -0.087 0.000 0.676 25 A CB -0.024 18.898 19.000 -0.130 0.000 0.818 25 A HN 0.120 nan 8.150 nan 0.000 0.453 26 K N -0.267 120.165 120.400 0.054 0.000 2.009 26 K HA -0.152 4.169 4.320 0.002 0.000 0.210 26 K C 2.236 178.873 176.600 0.063 0.000 1.049 26 K CA 2.009 58.326 56.287 0.051 0.000 0.929 26 K CB -0.403 32.126 32.500 0.048 0.000 0.714 26 K HN 0.662 nan 8.250 nan 0.000 0.440 27 T N -1.232 113.374 114.554 0.086 0.000 3.055 27 T HA -0.084 4.267 4.350 0.002 0.000 0.265 27 T C 1.644 176.404 174.700 0.100 0.000 1.111 27 T CA 0.320 62.471 62.100 0.086 0.000 1.118 27 T CB -0.280 68.643 68.868 0.091 0.000 0.909 27 T HN 0.227 nan 8.240 nan 0.000 0.501 28 F N 1.373 121.305 119.950 -0.029 0.000 2.146 28 F HA 0.153 4.680 4.527 0.001 0.000 0.298 28 F C 1.665 177.446 175.800 -0.032 0.000 1.096 28 F CA 0.705 58.667 58.000 -0.064 0.000 1.275 28 F CB -0.303 38.522 39.000 -0.291 0.000 1.008 28 F HN 0.094 nan 8.300 nan 0.000 0.480 29 L N 0.655 121.820 121.223 -0.096 0.000 2.156 29 L HA -0.139 4.202 4.340 0.002 0.000 0.208 29 L C 1.961 178.830 176.870 -0.003 0.000 1.095 29 L CA 1.424 56.204 54.840 -0.101 0.000 0.770 29 L CB -1.193 40.871 42.059 0.009 0.000 0.914 29 L HN 0.096 nan 8.230 nan 0.000 0.439 30 D N -0.291 120.113 120.400 0.007 0.000 2.087 30 D HA -0.170 4.472 4.640 0.002 0.000 0.192 30 D C 2.075 178.394 176.300 0.032 0.000 0.993 30 D CA 1.071 55.092 54.000 0.036 0.000 0.828 30 D CB 0.015 40.839 40.800 0.040 0.000 0.968 30 D HN 0.120 nan 8.370 nan 0.000 0.448 31 K N 0.089 120.482 120.400 -0.011 0.000 2.283 31 K HA -0.090 4.232 4.320 0.002 0.000 0.202 31 K C 2.053 178.617 176.600 -0.060 0.000 1.048 31 K CA 0.155 56.430 56.287 -0.019 0.000 0.948 31 K CB -0.466 32.017 32.500 -0.027 0.000 0.742 31 K HN 0.263 nan 8.250 nan 0.000 0.458 32 F N 2.471 122.249 119.950 -0.288 0.000 2.128 32 F HA -0.084 4.444 4.527 0.002 0.000 0.295 32 F C 1.767 177.516 175.800 -0.085 0.000 1.100 32 F CA 1.123 58.976 58.000 -0.245 0.000 1.260 32 F CB -0.147 38.573 39.000 -0.467 0.000 1.009 32 F HN -0.018 nan 8.300 nan 0.000 0.476 33 N N -0.043 118.655 118.700 -0.004 0.000 2.120 33 N HA -0.253 4.488 4.740 0.002 0.000 0.188 33 N C 1.904 177.321 175.510 -0.156 0.000 1.024 33 N CA 1.704 54.700 53.050 -0.091 0.000 0.852 33 N CB -0.987 37.571 38.487 0.118 0.000 1.003 33 N HN 0.594 nan 8.380 nan 0.000 0.424 34 H N 1.130 120.097 119.070 -0.172 0.000 2.251 34 H HA -0.107 4.450 4.556 0.002 0.000 0.294 34 H C 1.604 176.784 175.328 -0.246 0.000 1.078 34 H CA 1.792 57.742 56.048 -0.162 0.000 1.246 34 H CB 0.236 29.937 29.762 -0.102 0.000 1.358 34 H HN 0.293 nan 8.280 nan 0.000 0.488 35 E N 0.209 120.268 120.200 -0.235 0.000 2.110 35 E HA -0.182 4.169 4.350 0.002 0.000 0.193 35 E C 2.396 178.637 176.600 -0.598 0.000 0.988 35 E CA 0.646 56.811 56.400 -0.393 0.000 0.804 35 E CB -0.098 29.428 29.700 -0.289 0.000 0.745 35 E HN 0.587 nan 8.360 nan 0.000 0.458 36 A N 1.413 123.770 122.820 -0.772 0.000 1.898 36 A HA -0.229 4.092 4.320 0.002 0.000 0.216 36 A C 2.028 179.237 177.584 -0.626 0.000 1.181 36 A CA 1.422 52.911 52.037 -0.914 0.000 0.620 36 A CB -0.377 17.825 19.000 -1.329 0.000 0.819 36 A HN 0.191 nan 8.150 nan 0.000 0.442 37 E N -0.357 119.537 120.200 -0.511 0.000 2.153 37 E HA -0.205 4.146 4.350 0.002 0.000 0.194 37 E C 1.169 177.751 176.600 -0.030 0.000 0.988 37 E CA 1.156 57.450 56.400 -0.178 0.000 0.811 37 E CB -0.047 29.626 29.700 -0.045 0.000 0.746 37 E HN 0.561 nan 8.360 nan 0.000 0.466 38 D N 0.231 120.585 120.400 -0.076 0.000 2.084 38 D HA -0.153 4.489 4.640 0.002 0.000 0.196 38 D C 1.711 178.009 176.300 -0.003 0.000 0.985 38 D CA 0.624 54.611 54.000 -0.022 0.000 0.826 38 D CB -0.178 40.590 40.800 -0.053 0.000 0.978 38 D HN 0.141 nan 8.370 nan 0.000 0.456 39 L N -0.348 120.823 121.223 -0.087 0.000 2.156 39 L HA 0.038 4.379 4.340 0.002 0.000 0.208 39 L C 1.756 178.660 176.870 0.057 0.000 1.095 39 L CA 1.095 55.927 54.840 -0.014 0.000 0.770 39 L CB -0.768 41.217 42.059 -0.124 0.000 0.914 39 L HN -0.022 nan 8.230 nan 0.000 0.439 40 F N -1.943 117.897 119.950 -0.185 0.000 2.456 40 F HA -0.183 4.345 4.527 0.002 0.000 0.298 40 F C 2.294 177.990 175.800 -0.174 0.000 1.104 40 F CA 0.790 58.531 58.000 -0.433 0.000 1.435 40 F CB -0.216 38.520 39.000 -0.440 0.000 1.078 40 F HN 0.160 nan 8.300 nan 0.000 0.546 41 Y N 0.730 120.961 120.300 -0.116 0.000 2.200 41 Y HA -0.194 4.357 4.550 0.002 0.000 0.290 41 Y C 2.541 178.332 175.900 -0.181 0.000 1.137 41 Y CA 1.957 59.962 58.100 -0.158 0.000 1.163 41 Y CB -0.602 37.810 38.460 -0.081 0.000 0.988 41 Y HN 0.083 nan 8.280 nan 0.000 0.518 42 Q N -0.192 119.554 119.800 -0.090 0.000 2.084 42 Q HA -0.172 4.169 4.340 0.002 0.000 0.202 42 Q C 2.685 178.573 176.000 -0.187 0.000 0.978 42 Q CA 2.065 57.797 55.803 -0.118 0.000 0.844 42 Q CB -0.571 28.156 28.738 -0.018 0.000 0.898 42 Q HN 0.460 nan 8.270 nan 0.000 0.426 43 S N -1.454 114.095 115.700 -0.250 0.000 2.406 43 S HA -0.069 4.402 4.470 0.002 0.000 0.228 43 S C 1.942 176.348 174.600 -0.324 0.000 1.020 43 S CA 1.339 59.384 58.200 -0.258 0.000 0.965 43 S CB -0.228 62.796 63.200 -0.293 0.000 0.798 43 S HN 0.344 nan 8.310 nan 0.000 0.488 44 S N 1.542 116.933 115.700 -0.513 0.000 2.377 44 S HA 0.175 4.646 4.470 0.002 0.000 0.223 44 S C 1.760 176.279 174.600 -0.135 0.000 1.030 44 S CA 0.708 58.686 58.200 -0.370 0.000 0.970 44 S CB -0.486 62.376 63.200 -0.563 0.000 0.830 44 S HN 0.453 nan 8.310 nan 0.000 0.473 45 L N 1.535 122.529 121.223 -0.381 0.000 2.083 45 L HA -0.086 4.255 4.340 0.002 0.000 0.209 45 L C 2.434 179.267 176.870 -0.062 0.000 1.083 45 L CA 1.749 56.398 54.840 -0.319 0.000 0.752 45 L CB -1.082 40.655 42.059 -0.537 0.000 0.899 45 L HN 0.347 nan 8.230 nan 0.000 0.433 46 A N -1.692 121.096 122.820 -0.053 0.000 1.968 46 A HA -0.124 4.197 4.320 0.002 0.000 0.217 46 A C 2.431 180.079 177.584 0.106 0.000 1.169 46 A CA 1.501 53.552 52.037 0.023 0.000 0.638 46 A CB -0.349 18.653 19.000 0.004 0.000 0.812 46 A HN 0.439 nan 8.150 nan 0.000 0.446 47 S N -1.568 114.225 115.700 0.155 0.000 2.371 47 S HA -0.128 4.343 4.470 0.002 0.000 0.224 47 S C 1.588 176.400 174.600 0.353 0.000 1.029 47 S CA 0.728 59.104 58.200 0.293 0.000 0.978 47 S CB -0.409 62.992 63.200 0.335 0.000 0.833 47 S HN 0.772 nan 8.310 nan 0.000 0.466 48 W N 2.838 124.146 121.300 0.012 0.000 2.317 48 W HA -0.182 4.479 4.660 0.002 0.000 0.318 48 W C 1.524 177.893 176.519 -0.249 0.000 1.227 48 W CA 1.498 58.533 57.345 -0.517 0.000 1.269 48 W CB -0.843 28.292 29.460 -0.540 0.000 1.155 48 W HN 0.403 nan 8.180 nan 0.000 0.484 49 N N -0.692 118.031 118.700 0.037 0.000 2.443 49 N HA -0.257 4.485 4.740 0.002 0.000 0.184 49 N C 1.610 177.091 175.510 -0.049 0.000 1.037 49 N CA 1.228 54.264 53.050 -0.024 0.000 0.896 49 N CB -0.542 37.972 38.487 0.045 0.000 0.959 49 N HN 0.225 nan 8.380 nan 0.000 0.442 50 Y N 2.216 122.449 120.300 -0.112 0.000 2.133 50 Y HA -0.160 4.391 4.550 0.002 0.000 0.287 50 Y C 1.668 177.477 175.900 -0.151 0.000 1.134 50 Y CA 1.723 59.775 58.100 -0.080 0.000 1.133 50 Y CB -0.131 38.327 38.460 -0.003 0.000 0.987 50 Y HN 0.042 nan 8.280 nan 0.000 0.502 51 N N -0.785 117.830 118.700 -0.142 0.000 2.083 51 N HA -0.134 4.607 4.740 0.002 0.000 0.190 51 N C 1.863 177.085 175.510 -0.481 0.000 1.047 51 N CA 1.913 54.756 53.050 -0.346 0.000 0.845 51 N CB -1.212 37.084 38.487 -0.318 0.000 1.025 51 N HN 0.222 nan 8.380 nan 0.000 0.428 52 T N 0.317 114.437 114.554 -0.723 0.000 2.592 52 T HA -0.154 4.197 4.350 0.002 0.000 0.267 52 T C 0.723 175.244 174.700 -0.298 0.000 1.060 52 T CA 1.471 63.195 62.100 -0.626 0.000 1.167 52 T CB -0.291 68.127 68.868 -0.749 0.000 0.863 52 T HN 0.197 nan 8.240 nan 0.000 0.431 56 E N 0.513 120.688 120.200 -0.042 0.000 3.040 56 E HA 0.056 4.407 4.350 0.002 0.000 0.286 56 E C -0.548 176.037 176.600 -0.025 0.000 1.136 56 E CA 0.483 56.865 56.400 -0.031 0.000 2.027 56 E CB -0.252 29.436 29.700 -0.020 0.000 2.092 56 E HN 0.482 nan 8.360 nan 0.000 1.029 57 E N 2.212 122.403 120.200 -0.016 0.000 2.594 57 E HA 0.158 4.509 4.350 0.002 0.000 0.300 57 E C -0.255 176.346 176.600 0.001 0.000 1.568 57 E CA 0.264 56.661 56.400 -0.004 0.000 1.811 57 E CB -0.432 29.269 29.700 0.001 0.000 1.458 57 E HN 0.105 nan 8.360 nan 0.000 0.470 58 N N -0.720 117.977 118.700 -0.004 0.000 2.067 58 N HA 0.032 4.773 4.740 0.002 0.000 0.227 58 N C 1.055 176.588 175.510 0.039 0.000 1.348 58 N CA -0.046 53.009 53.050 0.008 0.000 0.879 58 N CB 0.798 39.271 38.487 -0.024 0.000 1.109 58 N HN -0.024 nan 8.380 nan 0.000 0.501 59 V N 0.584 120.512 119.914 0.023 0.000 2.626 59 V HA -0.111 4.010 4.120 0.002 0.000 0.252 59 V C 1.078 177.293 176.094 0.202 0.000 1.067 59 V CA 1.788 64.115 62.300 0.045 0.000 1.081 59 V CB -0.091 31.725 31.823 -0.012 0.000 0.686 59 V HN 0.327 nan 8.190 nan 0.000 0.468 60 Q N -1.878 118.004 119.800 0.137 0.000 2.073 60 Q HA 0.178 4.519 4.340 0.002 0.000 0.215 60 Q C 1.408 177.460 176.000 0.086 0.000 0.776 60 Q CA -0.060 55.814 55.803 0.119 0.000 1.008 60 Q CB 0.264 29.052 28.738 0.083 0.000 1.196 60 Q HN 0.518 nan 8.270 nan 0.000 0.458 61 N N 0.858 119.608 118.700 0.083 0.000 2.416 61 N HA -0.096 4.645 4.740 0.002 0.000 0.177 61 N C 1.707 177.251 175.510 0.057 0.000 1.036 61 N CA 0.897 53.983 53.050 0.060 0.000 0.901 61 N CB 0.233 38.749 38.487 0.048 0.000 0.976 61 N HN 0.349 nan 8.380 nan 0.000 0.444 62 M N 0.334 119.978 119.600 0.073 0.000 2.080 62 M HA -0.144 4.337 4.480 0.002 0.000 0.260 62 M C 1.224 177.536 176.300 0.020 0.000 1.068 62 M CA 2.140 57.465 55.300 0.041 0.000 1.109 62 M CB -0.752 31.861 32.600 0.022 0.000 1.342 62 M HN 0.095 nan 8.290 nan 0.000 0.405 63 N N 0.357 119.070 118.700 0.022 0.000 2.166 63 N HA -0.163 4.578 4.740 0.002 0.000 0.186 63 N C 1.313 176.852 175.510 0.047 0.000 1.019 63 N CA 1.909 54.975 53.050 0.026 0.000 0.856 63 N CB -0.758 37.745 38.487 0.027 0.000 0.993 63 N HN 0.438 nan 8.380 nan 0.000 0.426 64 N N 0.778 119.508 118.700 0.050 0.000 2.028 64 N HA -0.011 4.730 4.740 0.002 0.000 0.194 64 N C 1.691 177.243 175.510 0.070 0.000 1.050 64 N CA 1.751 54.835 53.050 0.056 0.000 0.848 64 N CB -0.817 37.700 38.487 0.049 0.000 1.038 64 N HN 0.433 nan 8.380 nan 0.000 0.423 65 A N -0.089 122.769 122.820 0.063 0.000 2.125 65 A HA 0.033 4.354 4.320 0.002 0.000 0.219 65 A C 2.196 179.849 177.584 0.114 0.000 1.156 65 A CA 1.755 53.836 52.037 0.072 0.000 0.671 65 A CB -0.979 18.042 19.000 0.036 0.000 0.794 65 A HN 0.396 nan 8.150 nan 0.000 0.459 66 G N -0.537 108.327 108.800 0.106 0.000 2.394 66 G HA2 -0.146 3.815 3.960 0.002 0.000 0.215 66 G HA3 -0.146 3.815 3.960 0.002 0.000 0.215 66 G C 1.140 176.182 174.900 0.237 0.000 1.165 66 G CA 1.008 46.209 45.100 0.169 0.000 0.784 66 G HN 0.422 nan 8.290 nan 0.000 0.535 67 D N 0.051 120.545 120.400 0.156 0.000 2.178 67 D HA -0.032 4.609 4.640 0.002 0.000 0.202 67 D C 2.234 178.621 176.300 0.144 0.000 0.974 67 D CA 0.683 54.764 54.000 0.135 0.000 0.841 67 D CB -0.021 40.832 40.800 0.088 0.000 0.953 67 D HN 0.352 nan 8.370 nan 0.000 0.478 68 K N -0.183 120.310 120.400 0.156 0.000 2.103 68 K HA -0.117 4.204 4.320 0.002 0.000 0.204 68 K C 2.138 178.878 176.600 0.234 0.000 1.052 68 K CA 0.627 57.008 56.287 0.157 0.000 0.945 68 K CB -0.104 32.472 32.500 0.127 0.000 0.722 68 K HN 0.240 nan 8.250 nan 0.000 0.443 69 W N 1.403 122.768 121.300 0.107 0.000 2.355 69 W HA -0.185 4.476 4.660 0.002 0.000 0.309 69 W C 1.575 178.236 176.519 0.238 0.000 1.206 69 W CA 1.591 59.035 57.345 0.165 0.000 1.284 69 W CB -0.345 29.208 29.460 0.155 0.000 1.145 69 W HN 0.059 nan 8.180 nan 0.000 0.502 70 S N 1.209 116.995 115.700 0.144 0.000 2.359 70 S HA -0.202 4.269 4.470 0.002 0.000 0.224 70 S C 2.153 176.732 174.600 -0.035 0.000 1.035 70 S CA 1.934 60.142 58.200 0.015 0.000 1.018 70 S CB -0.898 62.370 63.200 0.114 0.000 0.876 70 S HN 0.402 nan 8.310 nan 0.000 0.448 71 A N 0.973 123.812 122.820 0.032 0.000 1.908 71 A HA -0.127 4.194 4.320 0.002 0.000 0.218 71 A C 1.935 179.520 177.584 0.001 0.000 1.181 71 A CA 1.741 53.793 52.037 0.025 0.000 0.627 71 A CB -0.880 18.156 19.000 0.061 0.000 0.818 71 A HN 0.557 nan 8.150 nan 0.000 0.445 72 F N -0.154 119.707 119.950 -0.147 0.000 2.113 72 F HA -0.091 4.437 4.527 0.002 0.000 0.297 72 F C 1.777 177.449 175.800 -0.213 0.000 1.103 72 F CA 1.677 59.575 58.000 -0.171 0.000 1.248 72 F CB -0.311 38.569 39.000 -0.200 0.000 0.999 72 F HN 0.151 nan 8.300 nan 0.000 0.475 73 L N 1.159 122.146 121.223 -0.393 0.000 2.131 73 L HA -0.164 4.178 4.340 0.002 0.000 0.210 73 L C 2.514 179.213 176.870 -0.285 0.000 1.092 73 L CA 1.742 56.321 54.840 -0.436 0.000 0.759 73 L CB -0.990 40.799 42.059 -0.449 0.000 0.903 73 L HN 0.222 nan 8.230 nan 0.000 0.435 74 K N -0.490 119.788 120.400 -0.203 0.000 2.025 74 K HA -0.193 4.129 4.320 0.002 0.000 0.207 74 K C 1.918 178.439 176.600 -0.131 0.000 1.049 74 K CA 1.561 57.774 56.287 -0.123 0.000 0.933 74 K CB -0.071 32.385 32.500 -0.074 0.000 0.714 74 K HN 0.388 nan 8.250 nan 0.000 0.438 75 E N 0.127 120.228 120.200 -0.166 0.000 2.070 75 E HA -0.216 4.135 4.350 0.002 0.000 0.197 75 E C 2.138 178.654 176.600 -0.139 0.000 1.004 75 E CA 1.209 57.526 56.400 -0.137 0.000 0.805 75 E CB 0.049 29.663 29.700 -0.144 0.000 0.744 75 E HN 0.348 nan 8.360 nan 0.000 0.451 76 Q N -0.011 119.639 119.800 -0.250 0.000 2.230 76 Q HA -0.089 4.252 4.340 0.002 0.000 0.202 76 Q C 2.266 178.231 176.000 -0.059 0.000 0.963 76 Q CA 1.247 56.968 55.803 -0.136 0.000 0.866 76 Q CB -0.280 28.321 28.738 -0.227 0.000 0.931 76 Q HN 0.236 nan 8.270 nan 0.000 0.452 77 S N 0.770 116.414 115.700 -0.093 0.000 2.345 77 S HA -0.125 4.346 4.470 0.002 0.000 0.220 77 S C 1.935 176.512 174.600 -0.037 0.000 1.031 77 S CA 1.744 59.910 58.200 -0.057 0.000 0.996 77 S CB -0.686 62.486 63.200 -0.046 0.000 0.882 77 S HN 0.432 nan 8.310 nan 0.000 0.445 78 T N 0.733 115.262 114.554 -0.041 0.000 3.026 78 T HA 0.013 4.365 4.350 0.002 0.000 0.271 78 T C 1.323 176.006 174.700 -0.030 0.000 1.149 78 T CA 1.212 63.292 62.100 -0.033 0.000 1.088 78 T CB -0.339 68.508 68.868 -0.034 0.000 0.857 78 T HN 0.355 nan 8.240 nan 0.000 0.551 79 L N -0.628 120.586 121.223 -0.015 0.000 2.781 79 L HA 0.656 4.997 4.340 0.002 0.000 0.245 79 L C 2.177 179.010 176.870 -0.061 0.000 1.118 79 L CA 0.340 55.175 54.840 -0.008 0.000 0.918 79 L CB -0.112 41.999 42.059 0.087 0.000 1.246 79 L HN 0.159 nan 8.230 nan 0.000 0.526 80 A N -1.183 121.611 122.820 -0.044 0.000 2.132 80 A HA 0.015 4.336 4.320 0.002 0.000 0.213 80 A C 1.733 179.322 177.584 0.008 0.000 1.154 80 A CA 0.289 52.290 52.037 -0.061 0.000 0.753 80 A CB -0.175 18.784 19.000 -0.068 0.000 0.826 80 A HN 0.431 nan 8.150 nan 0.000 0.469 81 Q N -0.075 119.708 119.800 -0.028 0.000 2.368 81 Q HA -0.107 4.234 4.340 0.002 0.000 0.210 81 Q C 1.462 177.412 176.000 -0.083 0.000 0.982 81 Q CA 1.000 56.779 55.803 -0.040 0.000 0.884 81 Q CB -0.529 28.184 28.738 -0.041 0.000 0.933 81 Q HN 0.683 nan 8.270 nan 0.000 0.460 82 M N -1.005 118.505 119.600 -0.150 0.000 2.561 82 M HA 0.046 4.527 4.480 0.002 0.000 0.238 82 M C -0.208 175.793 176.300 -0.500 0.000 1.131 82 M CA 0.351 55.459 55.300 -0.321 0.000 1.046 82 M CB -0.136 32.213 32.600 -0.419 0.000 1.532 82 M HN -0.003 nan 8.290 nan 0.000 0.497 83 Y N 1.775 121.958 120.300 -0.195 0.000 2.841 83 Y HA 0.372 4.923 4.550 0.001 0.000 0.329 83 Y C -2.054 173.782 175.900 -0.106 0.000 1.062 83 Y CA -2.771 55.228 58.100 -0.168 0.000 1.281 83 Y CB -0.058 38.266 38.460 -0.226 0.000 1.147 83 Y HN 0.050 nan 8.280 nan 0.000 0.521 84 P HA -0.006 nan 4.420 nan 0.000 0.258 84 P C 0.888 178.197 177.300 0.014 0.000 1.187 84 P CA 0.417 63.510 63.100 -0.011 0.000 0.767 84 P CB 0.781 32.460 31.700 -0.034 0.000 0.770 85 L N 2.680 123.910 121.223 0.011 0.000 2.042 85 L HA -0.261 4.080 4.340 0.002 0.000 0.210 85 L C 2.388 179.261 176.870 0.005 0.000 1.076 85 L CA 1.660 56.507 54.840 0.011 0.000 0.749 85 L CB -0.539 41.522 42.059 0.004 0.000 0.893 85 L HN 0.491 nan 8.230 nan 0.000 0.432 86 Q N -0.297 119.501 119.800 -0.003 0.000 2.173 86 Q HA -0.299 4.042 4.340 0.002 0.000 0.208 86 Q C 1.616 177.615 176.000 -0.002 0.000 0.989 86 Q CA 1.844 57.644 55.803 -0.006 0.000 0.872 86 Q CB -0.089 28.642 28.738 -0.012 0.000 0.909 86 Q HN 0.405 nan 8.270 nan 0.000 0.420 87 E N -0.134 120.067 120.200 0.002 0.000 2.445 87 E HA 0.012 4.363 4.350 0.002 0.000 0.189 87 E C -0.537 176.073 176.600 0.015 0.000 1.069 87 E CA -0.138 56.265 56.400 0.006 0.000 0.871 87 E CB 0.416 30.119 29.700 0.005 0.000 0.991 87 E HN 0.091 nan 8.360 nan 0.000 0.481 88 I N 2.325 122.904 120.570 0.015 0.000 2.287 88 I HA 0.099 4.270 4.170 0.002 0.000 0.290 88 I C 0.950 177.073 176.117 0.011 0.000 1.069 88 I CA 0.079 61.390 61.300 0.018 0.000 1.237 88 I CB 1.038 39.048 38.000 0.017 0.000 1.418 88 I HN 0.159 nan 8.210 nan 0.000 0.481 89 Q N 4.304 124.112 119.800 0.012 0.000 2.020 89 Q HA -0.035 4.306 4.340 0.002 0.000 0.198 89 Q C 0.995 176.999 176.000 0.008 0.000 0.974 89 Q CA 1.204 57.013 55.803 0.009 0.000 0.829 89 Q CB 0.037 28.782 28.738 0.010 0.000 0.894 89 Q HN 0.547 nan 8.270 nan 0.000 0.433 90 N N 0.859 119.565 118.700 0.010 0.000 2.429 90 N HA -0.080 4.661 4.740 0.002 0.000 0.271 90 N C 0.198 175.709 175.510 0.002 0.000 1.272 90 N CA 0.053 53.107 53.050 0.007 0.000 0.921 90 N CB 0.541 39.035 38.487 0.011 0.000 1.128 90 N HN 0.135 nan 8.380 nan 0.000 0.481 91 L N 3.339 124.561 121.223 -0.002 0.000 2.127 91 L HA -0.162 4.179 4.340 0.002 0.000 0.211 91 L C 2.249 179.110 176.870 -0.014 0.000 1.089 91 L CA 1.443 56.278 54.840 -0.009 0.000 0.757 91 L CB -1.033 41.019 42.059 -0.012 0.000 0.899 91 L HN 0.504 nan 8.230 nan 0.000 0.434 92 T N -0.920 113.627 114.554 -0.011 0.000 2.770 92 T HA -0.135 4.216 4.350 0.002 0.000 0.263 92 T C 1.992 176.688 174.700 -0.007 0.000 1.039 92 T CA 1.552 63.645 62.100 -0.012 0.000 1.142 92 T CB -0.388 68.476 68.868 -0.006 0.000 0.868 92 T HN 0.324 nan 8.240 nan 0.000 0.435 93 V N 1.072 120.986 119.914 -0.001 0.000 2.548 93 V HA -0.019 4.102 4.120 0.002 0.000 0.249 93 V C 2.281 178.369 176.094 -0.009 0.000 1.055 93 V CA 1.912 64.211 62.300 -0.001 0.000 1.065 93 V CB -0.651 31.175 31.823 0.004 0.000 0.681 93 V HN 0.363 nan 8.190 nan 0.000 0.462 94 K N -0.077 120.319 120.400 -0.007 0.000 2.020 94 K HA -0.184 4.137 4.320 0.002 0.000 0.212 94 K C 2.172 178.764 176.600 -0.013 0.000 1.050 94 K CA 2.488 58.771 56.287 -0.007 0.000 0.929 94 K CB -0.448 32.050 32.500 -0.005 0.000 0.714 94 K HN 0.556 nan 8.250 nan 0.000 0.443 95 L N 1.000 122.213 121.223 -0.017 0.000 2.012 95 L HA -0.269 4.072 4.340 0.002 0.000 0.210 95 L C 2.728 179.585 176.870 -0.022 0.000 1.073 95 L CA 1.590 56.417 54.840 -0.022 0.000 0.748 95 L CB -0.334 41.706 42.059 -0.032 0.000 0.891 95 L HN 0.368 nan 8.230 nan 0.000 0.431 96 Q N -0.955 118.833 119.800 -0.020 0.000 2.030 96 Q HA -0.263 4.078 4.340 0.002 0.000 0.204 96 Q C 2.241 178.212 176.000 -0.048 0.000 0.986 96 Q CA 1.282 57.072 55.803 -0.021 0.000 0.843 96 Q CB -0.492 28.242 28.738 -0.006 0.000 0.904 96 Q HN 0.300 nan 8.270 nan 0.000 0.420 97 L N 1.497 122.691 121.223 -0.048 0.000 1.990 97 L HA -0.278 4.064 4.340 0.002 0.000 0.213 97 L C 2.563 179.411 176.870 -0.036 0.000 1.072 97 L CA 2.027 56.833 54.840 -0.056 0.000 0.755 97 L CB -1.187 40.844 42.059 -0.046 0.000 0.889 97 L HN 0.339 nan 8.230 nan 0.000 0.432 98 Q N -1.227 118.562 119.800 -0.018 0.000 2.029 98 Q HA -0.289 4.052 4.340 0.002 0.000 0.209 98 Q C 2.094 178.094 176.000 0.000 0.000 0.999 98 Q CA 2.542 58.343 55.803 -0.004 0.000 0.857 98 Q CB -0.200 28.539 28.738 0.000 0.000 0.926 98 Q HN 0.579 nan 8.270 nan 0.000 0.415 99 A N 0.982 123.797 122.820 -0.007 0.000 1.865 99 A HA -0.215 4.106 4.320 0.002 0.000 0.217 99 A C 2.106 179.691 177.584 0.002 0.000 1.191 99 A CA 1.552 53.591 52.037 0.002 0.000 0.623 99 A CB -0.982 18.017 19.000 -0.002 0.000 0.826 99 A HN 0.566 nan 8.150 nan 0.000 0.444 100 L N 0.034 121.234 121.223 -0.039 0.000 2.017 100 L HA -0.158 4.183 4.340 0.002 0.000 0.208 100 L C 1.784 178.627 176.870 -0.045 0.000 1.073 100 L CA 1.659 56.452 54.840 -0.078 0.000 0.745 100 L CB -0.387 41.534 42.059 -0.229 0.000 0.894 100 L HN 0.751 nan 8.230 nan 0.000 0.432 101 Q N 0.787 120.568 119.800 -0.032 0.000 3.254 101 Q HA 0.076 4.417 4.340 0.002 0.000 0.315 101 Q C -0.668 175.344 176.000 0.020 0.000 1.405 101 Q CA 0.051 55.847 55.803 -0.012 0.000 0.966 101 Q CB -0.048 28.683 28.738 -0.011 0.000 1.706 101 Q HN 0.469 nan 8.270 nan 0.000 0.525 102 Q N 1.339 121.159 119.800 0.033 0.000 2.357 102 Q HA 0.260 4.601 4.340 0.002 0.000 0.266 102 Q C 0.228 176.264 176.000 0.061 0.000 1.021 102 Q CA -0.529 55.316 55.803 0.071 0.000 0.784 102 Q CB 1.225 30.025 28.738 0.103 0.000 1.243 102 Q HN 0.515 nan 8.270 nan 0.000 0.465 103 N N 2.176 120.910 118.700 0.057 0.000 2.096 103 N HA -0.271 4.470 4.740 0.002 0.000 0.195 103 N C 1.092 176.622 175.510 0.034 0.000 1.017 103 N CA 1.594 54.664 53.050 0.034 0.000 0.870 103 N CB -0.027 38.478 38.487 0.030 0.000 1.024 103 N HN 0.864 nan 8.380 nan 0.000 0.434 104 G N 0.265 109.108 108.800 0.072 0.000 2.556 104 G HA2 -0.393 3.568 3.960 0.002 0.000 0.283 104 G HA3 -0.393 3.568 3.960 0.002 0.000 0.283 104 G C 0.793 175.688 174.900 -0.008 0.000 1.177 104 G CA 0.718 45.864 45.100 0.076 0.000 0.978 104 G HN 0.396 nan 8.290 nan 0.000 0.554 105 S N 0.114 115.800 115.700 -0.023 0.000 2.425 105 S HA -0.024 4.447 4.470 0.002 0.000 0.225 105 S C 2.759 177.319 174.600 -0.065 0.000 1.024 105 S CA 1.810 59.965 58.200 -0.076 0.000 0.951 105 S CB -0.661 62.498 63.200 -0.069 0.000 0.796 105 S HN 2.039 nan 8.310 nan 0.000 0.498 106 S N 0.944 116.621 115.700 -0.038 0.000 2.407 106 S HA -0.104 4.367 4.470 0.002 0.000 0.235 106 S C 1.215 175.788 174.600 -0.045 0.000 1.036 106 S CA 1.239 59.417 58.200 -0.037 0.000 1.013 106 S CB -1.153 62.031 63.200 -0.027 0.000 0.820 106 S HN 0.484 nan 8.310 nan 0.000 0.476 107 V N 2.104 121.988 119.914 -0.050 0.000 1.909 107 V HA 0.491 4.612 4.120 0.002 0.000 0.253 107 V C -0.506 175.541 176.094 -0.079 0.000 1.734 107 V CA 0.175 62.441 62.300 -0.057 0.000 1.661 107 V CB -1.280 30.513 31.823 -0.050 0.000 1.552 107 V HN 0.527 nan 8.190 nan 0.000 0.506 108 L N 3.026 124.205 121.223 -0.072 0.000 2.549 108 L HA 0.349 4.690 4.340 0.002 0.000 0.259 108 L C 0.084 176.915 176.870 -0.065 0.000 0.934 108 L CA -0.552 54.238 54.840 -0.082 0.000 0.865 108 L CB 2.311 44.309 42.059 -0.101 0.000 1.352 108 L HN 0.288 nan 8.230 nan 0.000 0.410 109 S N 1.518 117.180 115.700 -0.062 0.000 2.784 109 S HA -0.108 4.363 4.470 0.002 0.000 0.322 109 S C 1.179 175.750 174.600 -0.048 0.000 1.234 109 S CA 0.311 58.481 58.200 -0.051 0.000 1.064 109 S CB 0.555 63.725 63.200 -0.051 0.000 0.787 109 S HN 0.745 nan 8.310 nan 0.000 0.506 110 E N 4.353 124.530 120.200 -0.039 0.000 2.149 110 E HA -0.258 4.093 4.350 0.002 0.000 0.215 110 E C 1.073 177.652 176.600 -0.035 0.000 1.055 110 E CA 2.833 59.213 56.400 -0.034 0.000 0.870 110 E CB -0.476 29.209 29.700 -0.026 0.000 0.764 110 E HN 0.867 nan 8.360 nan 0.000 0.463 111 D N -0.319 120.060 120.400 -0.034 0.000 2.117 111 D HA -0.129 4.513 4.640 0.002 0.000 0.197 111 D C 1.855 178.129 176.300 -0.043 0.000 0.987 111 D CA 1.367 55.346 54.000 -0.034 0.000 0.829 111 D CB -0.226 40.555 40.800 -0.031 0.000 0.961 111 D HN 0.294 nan 8.370 nan 0.000 0.460 112 K N 0.089 120.457 120.400 -0.054 0.000 2.211 112 K HA 0.003 4.324 4.320 0.002 0.000 0.203 112 K C 2.176 178.729 176.600 -0.079 0.000 1.050 112 K CA 0.652 56.897 56.287 -0.070 0.000 0.945 112 K CB -0.030 32.422 32.500 -0.081 0.000 0.732 112 K HN -0.067 nan 8.250 nan 0.000 0.451 113 S N 1.037 116.696 115.700 -0.069 0.000 2.368 113 S HA -0.124 4.347 4.470 0.002 0.000 0.224 113 S C 1.922 176.490 174.600 -0.053 0.000 1.029 113 S CA 1.224 59.383 58.200 -0.068 0.000 0.988 113 S CB 0.035 63.202 63.200 -0.055 0.000 0.838 113 S HN 0.223 nan 8.310 nan 0.000 0.462 114 K N 0.415 120.791 120.400 -0.040 0.000 2.025 114 K HA -0.095 4.226 4.320 0.002 0.000 0.207 114 K C 2.391 178.972 176.600 -0.031 0.000 1.049 114 K CA 1.237 57.507 56.287 -0.028 0.000 0.933 114 K CB -0.228 32.259 32.500 -0.022 0.000 0.714 114 K HN 0.117 nan 8.250 nan 0.000 0.438 115 R N 0.993 121.470 120.500 -0.039 0.000 2.105 115 R HA -0.125 4.217 4.340 0.002 0.000 0.239 115 R C 2.248 178.522 176.300 -0.043 0.000 1.135 115 R CA 1.196 57.274 56.100 -0.038 0.000 0.967 115 R CB -0.664 29.611 30.300 -0.043 0.000 0.861 115 R HN 0.277 nan 8.270 nan 0.000 0.442 116 L N 0.764 121.948 121.223 -0.064 0.000 2.046 116 L HA -0.133 4.208 4.340 0.002 0.000 0.208 116 L C 1.699 178.543 176.870 -0.042 0.000 1.077 116 L CA 1.845 56.639 54.840 -0.076 0.000 0.747 116 L CB -0.780 41.197 42.059 -0.137 0.000 0.896 116 L HN 0.298 nan 8.230 nan 0.000 0.432 117 N N -0.900 117.779 118.700 -0.036 0.000 2.013 117 N HA -0.213 4.528 4.740 0.002 0.000 0.195 117 N C 1.630 177.136 175.510 -0.006 0.000 1.051 117 N CA 2.378 55.419 53.050 -0.015 0.000 0.851 117 N CB -0.378 38.103 38.487 -0.010 0.000 1.044 117 N HN 0.398 nan 8.380 nan 0.000 0.422 118 T N 2.240 116.789 114.554 -0.008 0.000 2.680 118 T HA -0.182 4.169 4.350 0.002 0.000 0.268 118 T C 2.065 176.765 174.700 0.000 0.000 1.033 118 T CA 1.200 63.298 62.100 -0.003 0.000 1.152 118 T CB -0.287 68.576 68.868 -0.008 0.000 0.859 118 T HN 0.227 nan 8.240 nan 0.000 0.452 119 I N -0.002 120.568 120.570 -0.000 0.000 2.133 119 I HA -0.136 4.035 4.170 0.002 0.000 0.238 119 I C 2.259 178.383 176.117 0.011 0.000 1.074 119 I CA 1.092 62.398 61.300 0.011 0.000 1.342 119 I CB -0.348 37.668 38.000 0.027 0.000 1.053 119 I HN 0.151 nan 8.210 nan 0.000 0.404 120 L N 0.906 122.139 121.223 0.017 0.000 2.013 120 L HA -0.284 4.057 4.340 0.002 0.000 0.212 120 L C 2.309 179.174 176.870 -0.009 0.000 1.073 120 L CA 1.755 56.598 54.840 0.004 0.000 0.753 120 L CB -0.940 41.127 42.059 0.014 0.000 0.890 120 L HN 0.320 nan 8.230 nan 0.000 0.432 121 N N -0.942 117.760 118.700 0.004 0.000 2.069 121 N HA -0.170 4.571 4.740 0.002 0.000 0.191 121 N C 1.769 177.288 175.510 0.016 0.000 1.031 121 N CA 2.057 55.115 53.050 0.013 0.000 0.852 121 N CB -0.940 37.557 38.487 0.017 0.000 1.018 121 N HN 0.380 nan 8.380 nan 0.000 0.423 122 T N 1.941 116.502 114.554 0.011 0.000 2.720 122 T HA -0.066 4.285 4.350 0.002 0.000 0.268 122 T C 2.099 176.805 174.700 0.011 0.000 1.037 122 T CA 1.138 63.245 62.100 0.011 0.000 1.144 122 T CB -0.128 68.743 68.868 0.005 0.000 0.864 122 T HN 0.217 nan 8.240 nan 0.000 0.444 123 M N 1.054 120.652 119.600 -0.003 0.000 2.156 123 M HA -0.044 4.437 4.480 0.002 0.000 0.264 123 M C 2.826 179.127 176.300 0.003 0.000 1.067 123 M CA 1.207 56.499 55.300 -0.013 0.000 1.131 123 M CB -0.555 32.011 32.600 -0.057 0.000 1.368 123 M HN 0.305 nan 8.290 nan 0.000 0.416 124 S N 0.502 116.193 115.700 -0.015 0.000 2.359 124 S HA -0.179 4.292 4.470 0.002 0.000 0.224 124 S C 1.991 176.658 174.600 0.112 0.000 1.035 124 S CA 2.409 60.611 58.200 0.004 0.000 1.018 124 S CB -0.554 62.645 63.200 -0.002 0.000 0.876 124 S HN 0.640 nan 8.310 nan 0.000 0.448 125 T N 0.220 114.830 114.554 0.092 0.000 2.737 125 T HA 0.043 4.394 4.350 0.002 0.000 0.265 125 T C 1.860 176.630 174.700 0.117 0.000 1.038 125 T CA 1.329 63.495 62.100 0.111 0.000 1.144 125 T CB -0.829 68.084 68.868 0.076 0.000 0.866 125 T HN 0.459 nan 8.240 nan 0.000 0.434 126 I N 0.104 120.721 120.570 0.079 0.000 2.208 126 I HA -0.112 4.059 4.170 0.002 0.000 0.245 126 I C 2.497 178.649 176.117 0.058 0.000 1.097 126 I CA 1.759 63.079 61.300 0.034 0.000 1.363 126 I CB -0.521 37.468 38.000 -0.017 0.000 1.051 126 I HN 0.213 nan 8.210 nan 0.000 0.413 127 Y N 0.847 121.154 120.300 0.011 0.000 2.184 127 Y HA -0.248 4.303 4.550 0.002 0.000 0.290 127 Y C 2.887 178.936 175.900 0.249 0.000 1.129 127 Y CA 1.600 59.766 58.100 0.109 0.000 1.144 127 Y CB -0.448 38.082 38.460 0.118 0.000 0.995 127 Y HN 0.124 nan 8.280 nan 0.000 0.513 128 S N -1.413 114.581 115.700 0.490 0.000 2.370 128 S HA -0.205 4.266 4.470 0.002 0.000 0.226 128 S C 1.544 176.286 174.600 0.237 0.000 1.033 128 S CA 1.838 60.269 58.200 0.385 0.000 1.011 128 S CB -0.826 62.559 63.200 0.310 0.000 0.852 128 S HN 0.479 nan 8.310 nan 0.000 0.457 129 T N 0.744 115.401 114.554 0.171 0.000 3.438 129 T HA 0.584 4.935 4.350 0.002 0.000 0.244 129 T C -0.300 174.446 174.700 0.075 0.000 1.269 129 T CA -0.095 62.077 62.100 0.120 0.000 1.371 129 T CB -0.333 68.594 68.868 0.099 0.000 1.002 129 T HN 0.407 nan 8.240 nan 0.000 0.637 130 G N 2.269 111.121 108.800 0.085 0.000 2.470 130 G HA2 0.675 4.637 3.960 0.002 0.000 0.320 130 G HA3 0.675 4.637 3.960 0.002 0.000 0.320 130 G C -1.415 173.575 174.900 0.149 0.000 1.245 130 G CA -0.947 44.152 45.100 -0.002 0.000 0.935 130 G HN 0.510 nan 8.290 nan 0.000 0.476 131 K N -0.045 120.402 120.400 0.078 0.000 2.498 131 K HA 0.642 4.963 4.320 0.002 0.000 0.254 131 K C -0.617 176.023 176.600 0.067 0.000 0.933 131 K CA -1.030 55.331 56.287 0.123 0.000 0.806 131 K CB 2.180 34.735 32.500 0.092 0.000 1.301 131 K HN 0.664 nan 8.250 nan 0.000 0.432 132 V N -0.722 119.241 119.914 0.082 0.000 2.472 132 V HA 0.747 4.868 4.120 0.002 0.000 0.290 132 V C -0.331 175.819 176.094 0.093 0.000 1.037 132 V CA -0.385 61.924 62.300 0.014 0.000 0.908 132 V CB 0.707 32.452 31.823 -0.131 0.000 0.985 132 V HN 0.960 nan 8.190 nan 0.000 0.454 133 c N 3.998 122.665 118.600 0.112 0.000 2.803 133 c HA 0.610 5.182 4.570 0.002 0.000 0.389 133 c C 0.394 174.633 174.090 0.248 0.000 1.433 133 c CA -0.697 55.730 56.329 0.163 0.000 1.714 133 c CB 1.498 44.066 42.510 0.096 0.000 2.106 133 c HN 1.046 nan 8.230 nan 0.000 0.480 137 N N 1.408 120.130 118.700 0.036 0.000 2.976 137 N HA 0.287 5.028 4.740 0.002 0.000 0.255 137 N C -2.052 173.488 175.510 0.050 0.000 1.312 137 N CA -1.645 51.427 53.050 0.037 0.000 0.897 137 N CB 1.388 39.894 38.487 0.032 0.000 1.184 137 N HN -0.185 nan 8.380 nan 0.000 0.497 138 P HA -0.042 nan 4.420 nan 0.000 0.231 138 P C 0.606 177.930 177.300 0.041 0.000 1.168 138 P CA 0.862 63.988 63.100 0.043 0.000 0.779 138 P CB 0.431 32.150 31.700 0.032 0.000 0.844 139 Q N 0.035 119.856 119.800 0.036 0.000 2.020 139 Q HA -0.071 4.271 4.340 0.002 0.000 0.198 139 Q C 1.172 177.198 176.000 0.043 0.000 0.974 139 Q CA 0.760 56.584 55.803 0.034 0.000 0.829 139 Q CB -0.626 28.128 28.738 0.027 0.000 0.894 139 Q HN 0.328 nan 8.270 nan 0.000 0.433 140 E N 0.786 121.015 120.200 0.048 0.000 2.351 140 E HA 0.090 4.441 4.350 0.002 0.000 0.266 140 E C -1.241 175.410 176.600 0.084 0.000 1.031 140 E CA -0.264 56.172 56.400 0.059 0.000 0.911 140 E CB 0.346 30.077 29.700 0.051 0.000 0.986 140 E HN 0.243 nan 8.360 nan 0.000 0.446 141 c N 4.353 123.005 118.600 0.087 0.000 2.994 141 c HA 0.553 5.125 4.570 0.002 0.000 0.305 141 c C -0.503 173.652 174.090 0.108 0.000 1.251 141 c CA -0.914 55.480 56.329 0.109 0.000 1.478 141 c CB 0.857 43.419 42.510 0.086 0.000 1.922 141 c HN 0.710 nan 8.230 nan 0.000 0.472 142 L N 1.517 122.820 121.223 0.132 0.000 2.322 142 L HA 0.714 5.055 4.340 0.002 0.000 0.269 142 L C -0.357 176.565 176.870 0.086 0.000 1.012 142 L CA -0.421 54.482 54.840 0.104 0.000 0.815 142 L CB 0.853 42.990 42.059 0.130 0.000 1.295 142 L HN 0.470 nan 8.230 nan 0.000 0.438 143 L N 0.185 121.442 121.223 0.056 0.000 2.578 143 L HA 0.341 4.682 4.340 0.002 0.000 0.259 143 L C 0.814 177.636 176.870 -0.080 0.000 1.082 143 L CA -0.275 54.596 54.840 0.051 0.000 0.843 143 L CB 0.481 42.579 42.059 0.064 0.000 1.535 143 L HN 0.445 nan 8.230 nan 0.000 0.510 144 L N -0.264 120.845 121.223 -0.190 0.000 2.027 144 L HA 0.030 4.371 4.340 0.002 0.000 0.206 144 L C 0.825 177.587 176.870 -0.181 0.000 1.074 144 L CA 1.509 56.067 54.840 -0.470 0.000 0.745 144 L CB -0.136 41.458 42.059 -0.776 0.000 0.898 144 L HN 0.488 nan 8.230 nan 0.000 0.433 145 E N -0.333 119.844 120.200 -0.038 0.000 2.349 145 E HA 0.184 4.535 4.350 0.002 0.000 0.262 145 E C -1.468 175.147 176.600 0.025 0.000 1.088 145 E CA -2.127 54.290 56.400 0.029 0.000 0.899 145 E CB 0.344 30.108 29.700 0.107 0.000 1.044 145 E HN 0.023 nan 8.360 nan 0.000 0.420 146 P HA -0.389 nan 4.420 nan 0.000 0.245 146 P C 1.037 178.341 177.300 0.007 0.000 0.756 146 P CA 2.374 65.490 63.100 0.026 0.000 1.075 146 P CB -0.747 30.972 31.700 0.032 0.000 0.774 147 G N 0.088 108.899 108.800 0.018 0.000 2.850 147 G HA2 -0.379 3.582 3.960 0.002 0.000 0.353 147 G HA3 -0.379 3.582 3.960 0.002 0.000 0.353 147 G C 1.252 176.157 174.900 0.008 0.000 0.983 147 G CA 2.148 47.262 45.100 0.023 0.000 0.832 147 G HN 0.411 nan 8.290 nan 0.000 0.889 148 L N 0.740 121.926 121.223 -0.062 0.000 2.023 148 L HA 0.120 4.461 4.340 0.002 0.000 0.205 148 L C 2.601 179.406 176.870 -0.107 0.000 1.073 148 L CA 2.159 56.938 54.840 -0.102 0.000 0.745 148 L CB -1.496 40.403 42.059 -0.268 0.000 0.900 148 L HN 0.590 nan 8.230 nan 0.000 0.435 149 N N -0.589 118.022 118.700 -0.147 0.000 2.096 149 N HA -0.270 4.471 4.740 0.002 0.000 0.195 149 N C 1.836 177.348 175.510 0.004 0.000 1.017 149 N CA 1.359 54.366 53.050 -0.072 0.000 0.870 149 N CB -0.064 38.412 38.487 -0.018 0.000 1.024 149 N HN 0.362 nan 8.380 nan 0.000 0.434 150 E N 0.831 121.041 120.200 0.016 0.000 2.268 150 E HA -0.120 4.231 4.350 0.002 0.000 0.195 150 E C 1.781 178.410 176.600 0.048 0.000 0.995 150 E CA 0.626 57.051 56.400 0.041 0.000 0.836 150 E CB 0.083 29.807 29.700 0.041 0.000 0.763 150 E HN 0.458 nan 8.360 nan 0.000 0.491 151 I N 0.416 121.013 120.570 0.045 0.000 2.235 151 I HA -0.229 3.942 4.170 0.002 0.000 0.241 151 I C 2.317 178.476 176.117 0.070 0.000 1.085 151 I CA 0.589 61.929 61.300 0.068 0.000 1.378 151 I CB -0.189 37.870 38.000 0.099 0.000 1.076 151 I HN 0.094 nan 8.210 nan 0.000 0.415 152 M N 0.360 119.988 119.600 0.047 0.000 2.435 152 M HA -0.145 4.336 4.480 0.002 0.000 0.262 152 M C 2.226 178.575 176.300 0.080 0.000 1.065 152 M CA 1.293 56.627 55.300 0.056 0.000 1.076 152 M CB -1.439 31.161 32.600 0.000 0.000 1.403 152 M HN 0.299 nan 8.290 nan 0.000 0.454 153 A N -0.040 122.828 122.820 0.080 0.000 1.984 153 A HA -0.023 4.298 4.320 0.002 0.000 0.214 153 A C 1.871 179.512 177.584 0.096 0.000 1.173 153 A CA 1.199 53.295 52.037 0.098 0.000 0.673 153 A CB -0.172 18.885 19.000 0.094 0.000 0.830 153 A HN 0.458 nan 8.150 nan 0.000 0.453 154 N N -0.873 117.877 118.700 0.082 0.000 2.606 154 N HA 0.086 4.827 4.740 0.002 0.000 0.208 154 N C 0.795 176.345 175.510 0.067 0.000 1.046 154 N CA 0.698 53.791 53.050 0.072 0.000 0.891 154 N CB -0.229 38.293 38.487 0.060 0.000 1.344 154 N HN 0.233 nan 8.380 nan 0.000 0.437 155 S N 0.414 116.158 115.700 0.073 0.000 2.552 155 S HA 0.096 4.567 4.470 0.002 0.000 0.289 155 S C 0.447 175.097 174.600 0.083 0.000 1.304 155 S CA -0.013 58.230 58.200 0.071 0.000 1.063 155 S CB 0.126 63.378 63.200 0.088 0.000 0.848 155 S HN 0.233 nan 8.310 nan 0.000 0.499 156 L N 3.536 124.780 121.223 0.035 0.000 3.168 156 L HA 0.392 4.734 4.340 0.002 0.000 0.277 156 L C 0.280 177.134 176.870 -0.027 0.000 1.245 156 L CA -0.060 54.747 54.840 -0.054 0.000 1.035 156 L CB 0.491 42.456 42.059 -0.156 0.000 1.399 156 L HN 0.613 nan 8.230 nan 0.000 0.580 157 D N -0.508 119.946 120.400 0.090 0.000 2.443 157 D HA -0.011 4.630 4.640 0.002 0.000 0.221 157 D C 0.963 177.392 176.300 0.216 0.000 1.097 157 D CA -0.430 53.646 54.000 0.126 0.000 0.865 157 D CB 0.834 41.682 40.800 0.080 0.000 1.034 157 D HN 0.163 nan 8.370 nan 0.000 0.511 158 Y N 5.231 125.609 120.300 0.129 0.000 2.029 158 Y HA -0.405 4.146 4.550 0.002 0.000 0.269 158 Y C 1.700 177.608 175.900 0.013 0.000 1.201 158 Y CA 2.153 60.268 58.100 0.025 0.000 1.115 158 Y CB -0.019 38.123 38.460 -0.530 0.000 0.945 158 Y HN 0.442 nan 8.280 nan 0.000 0.497 159 N N 0.215 119.044 118.700 0.215 0.000 2.166 159 N HA -0.197 4.544 4.740 0.002 0.000 0.186 159 N C 1.881 177.446 175.510 0.091 0.000 1.019 159 N CA 1.539 54.673 53.050 0.141 0.000 0.856 159 N CB -0.447 38.143 38.487 0.172 0.000 0.993 159 N HN 0.610 nan 8.380 nan 0.000 0.426 160 E N 1.265 121.526 120.200 0.101 0.000 2.047 160 E HA -0.078 4.273 4.350 0.002 0.000 0.191 160 E C 1.825 178.557 176.600 0.219 0.000 0.987 160 E CA 0.653 57.130 56.400 0.128 0.000 0.799 160 E CB 0.174 29.918 29.700 0.074 0.000 0.752 160 E HN 0.310 nan 8.360 nan 0.000 0.449 161 R N 0.272 120.859 120.500 0.146 0.000 2.096 161 R HA -0.148 4.193 4.340 0.002 0.000 0.235 161 R C 2.572 178.902 176.300 0.051 0.000 1.127 161 R CA 0.942 57.136 56.100 0.157 0.000 0.968 161 R CB -0.431 29.992 30.300 0.205 0.000 0.861 161 R HN 0.169 nan 8.270 nan 0.000 0.440 162 L N 0.162 121.219 121.223 -0.275 0.000 2.017 162 L HA -0.158 4.183 4.340 0.002 0.000 0.208 162 L C 2.125 178.976 176.870 -0.032 0.000 1.073 162 L CA 1.678 56.180 54.840 -0.562 0.000 0.745 162 L CB -0.585 40.999 42.059 -0.792 0.000 0.894 162 L HN 0.249 nan 8.230 nan 0.000 0.432 163 W N 0.265 121.515 121.300 -0.084 0.000 2.338 163 W HA -0.228 4.433 4.660 0.002 0.000 0.304 163 W C 2.242 178.793 176.519 0.053 0.000 1.212 163 W CA 2.467 59.815 57.345 0.005 0.000 1.264 163 W CB -0.342 29.123 29.460 0.008 0.000 1.142 163 W HN 0.267 nan 8.180 nan 0.000 0.512 164 A N -0.108 122.815 122.820 0.172 0.000 1.858 164 A HA -0.218 4.103 4.320 0.002 0.000 0.216 164 A C 1.754 179.280 177.584 -0.097 0.000 1.190 164 A CA 1.598 53.580 52.037 -0.091 0.000 0.617 164 A CB -1.811 17.270 19.000 0.134 0.000 0.827 164 A HN 0.625 nan 8.150 nan 0.000 0.443 165 W N 0.698 121.911 121.300 -0.145 0.000 2.317 165 W HA -0.261 4.400 4.660 0.002 0.000 0.318 165 W C 2.196 178.675 176.519 -0.068 0.000 1.227 165 W CA 2.527 59.809 57.345 -0.105 0.000 1.269 165 W CB -0.077 29.332 29.460 -0.085 0.000 1.155 165 W HN 0.428 nan 8.180 nan 0.000 0.484 166 E N -0.291 120.043 120.200 0.223 0.000 2.107 166 E HA -0.125 4.226 4.350 0.002 0.000 0.191 166 E C 2.115 178.676 176.600 -0.065 0.000 0.982 166 E CA 2.004 58.491 56.400 0.145 0.000 0.809 166 E CB -0.530 29.291 29.700 0.201 0.000 0.756 166 E HN 0.132 nan 8.360 nan 0.000 0.459 167 S N 0.234 115.779 115.700 -0.258 0.000 2.382 167 S HA -0.116 4.355 4.470 0.002 0.000 0.228 167 S C 1.469 175.935 174.600 -0.223 0.000 1.027 167 S CA 0.990 58.975 58.200 -0.359 0.000 0.991 167 S CB -0.549 62.163 63.200 -0.813 0.000 0.823 167 S HN 0.536 nan 8.310 nan 0.000 0.469 168 W N 2.337 123.403 121.300 -0.390 0.000 2.409 168 W HA 0.014 4.675 4.660 0.002 0.000 0.299 168 W C 1.821 178.159 176.519 -0.301 0.000 1.203 168 W CA 0.761 57.900 57.345 -0.343 0.000 1.298 168 W CB -0.206 29.020 29.460 -0.389 0.000 1.127 168 W HN 0.199 nan 8.180 nan 0.000 0.528 169 R N 0.122 120.460 120.500 -0.271 0.000 2.280 169 R HA -0.092 4.249 4.340 0.002 0.000 0.207 169 R C 2.574 178.760 176.300 -0.190 0.000 1.043 169 R CA 1.316 57.219 56.100 -0.327 0.000 1.006 169 R CB -0.103 29.930 30.300 -0.444 0.000 0.885 169 R HN 0.024 nan 8.270 nan 0.000 0.467 170 S N 0.136 115.743 115.700 -0.155 0.000 2.398 170 S HA -0.028 4.443 4.470 0.002 0.000 0.220 170 S C 1.651 176.069 174.600 -0.304 0.000 1.046 170 S CA 0.562 58.644 58.200 -0.197 0.000 0.953 170 S CB 0.154 63.297 63.200 -0.095 0.000 0.856 170 S HN 0.115 nan 8.310 nan 0.000 0.506 171 E N 0.641 120.662 120.200 -0.300 0.000 2.072 171 E HA -0.017 4.334 4.350 0.002 0.000 0.190 171 E C 1.747 178.128 176.600 -0.365 0.000 0.982 171 E CA 1.378 57.606 56.400 -0.287 0.000 0.803 171 E CB 0.068 29.634 29.700 -0.225 0.000 0.755 171 E HN 0.547 nan 8.360 nan 0.000 0.453 172 V N -3.051 116.520 119.914 -0.571 0.000 3.483 172 V HA 0.457 4.578 4.120 0.002 0.000 0.301 172 V C 1.253 177.030 176.094 -0.530 0.000 1.389 172 V CA 0.719 62.636 62.300 -0.638 0.000 1.101 172 V CB 0.552 31.705 31.823 -1.117 0.000 0.971 172 V HN 0.157 nan 8.190 nan 0.000 0.434 173 G N 0.864 109.391 108.800 -0.454 0.000 2.662 173 G HA2 0.059 4.020 3.960 0.002 0.000 0.207 173 G HA3 0.059 4.020 3.960 0.002 0.000 0.207 173 G C 1.378 176.120 174.900 -0.263 0.000 1.154 173 G CA 0.317 45.213 45.100 -0.341 0.000 0.837 173 G HN 0.447 nan 8.290 nan 0.000 0.580 174 K N 0.369 120.586 120.400 -0.306 0.000 2.211 174 K HA -0.005 4.316 4.320 0.002 0.000 0.203 174 K C 2.514 178.998 176.600 -0.193 0.000 1.050 174 K CA 0.769 56.886 56.287 -0.284 0.000 0.945 174 K CB -0.058 32.215 32.500 -0.378 0.000 0.732 174 K HN 0.291 nan 8.250 nan 0.000 0.451 175 Q N 0.394 120.079 119.800 -0.191 0.000 2.084 175 Q HA -0.069 4.272 4.340 0.002 0.000 0.202 175 Q C 1.953 177.898 176.000 -0.092 0.000 0.978 175 Q CA 0.913 56.635 55.803 -0.136 0.000 0.844 175 Q CB 0.129 28.780 28.738 -0.146 0.000 0.898 175 Q HN 0.266 nan 8.270 nan 0.000 0.426 176 L N 0.202 121.365 121.223 -0.101 0.000 2.313 176 L HA -0.100 4.241 4.340 0.002 0.000 0.214 176 L C 2.327 179.220 176.870 0.037 0.000 1.119 176 L CA 0.868 55.685 54.840 -0.039 0.000 0.809 176 L CB -0.556 41.456 42.059 -0.079 0.000 0.933 176 L HN 0.200 nan 8.230 nan 0.000 0.449 177 R N 1.561 122.064 120.500 0.005 0.000 2.113 177 R HA -0.161 4.180 4.340 0.002 0.000 0.231 177 R C -0.575 175.786 176.300 0.102 0.000 1.129 177 R CA 2.051 58.197 56.100 0.077 0.000 0.915 177 R CB -1.669 28.636 30.300 0.007 0.000 0.837 177 R HN 0.129 nan 8.270 nan 0.000 0.430 178 P HA -0.117 nan 4.420 nan 0.000 0.218 178 P C 1.063 178.395 177.300 0.053 0.000 1.148 178 P CA 1.343 64.449 63.100 0.010 0.000 0.822 178 P CB -0.101 31.587 31.700 -0.021 0.000 0.784 179 L N -2.797 118.469 121.223 0.070 0.000 2.093 179 L HA -0.171 4.170 4.340 0.002 0.000 0.208 179 L C 2.525 179.487 176.870 0.154 0.000 1.085 179 L CA 1.483 56.371 54.840 0.081 0.000 0.755 179 L CB -0.904 41.186 42.059 0.052 0.000 0.904 179 L HN -0.043 nan 8.230 nan 0.000 0.435 180 Y N 0.823 121.188 120.300 0.108 0.000 2.373 180 Y HA -0.167 4.384 4.550 0.002 0.000 0.293 180 Y C 2.494 178.648 175.900 0.423 0.000 1.129 180 Y CA 1.237 59.470 58.100 0.222 0.000 1.226 180 Y CB 0.110 38.702 38.460 0.220 0.000 1.000 180 Y HN 0.186 nan 8.280 nan 0.000 0.549 181 E N -0.109 120.330 120.200 0.397 0.000 2.028 181 E HA -0.255 4.096 4.350 0.002 0.000 0.191 181 E C 2.016 178.700 176.600 0.139 0.000 0.988 181 E CA 1.343 57.880 56.400 0.228 0.000 0.799 181 E CB -0.158 29.502 29.700 -0.067 0.000 0.755 181 E HN 0.528 nan 8.360 nan 0.000 0.447 182 E N 0.108 120.356 120.200 0.080 0.000 2.153 182 E HA -0.225 4.126 4.350 0.002 0.000 0.194 182 E C 1.944 178.546 176.600 0.003 0.000 0.988 182 E CA 0.887 57.301 56.400 0.023 0.000 0.811 182 E CB -0.103 29.603 29.700 0.009 0.000 0.746 182 E HN 0.298 nan 8.360 nan 0.000 0.466 183 Y N 0.605 120.826 120.300 -0.131 0.000 2.224 183 Y HA -0.212 4.339 4.550 0.002 0.000 0.289 183 Y C 2.022 177.743 175.900 -0.299 0.000 1.146 183 Y CA 1.622 59.571 58.100 -0.252 0.000 1.182 183 Y CB -0.444 37.808 38.460 -0.346 0.000 0.983 183 Y HN 0.025 nan 8.280 nan 0.000 0.524 184 V N -2.082 117.743 119.914 -0.148 0.000 2.427 184 V HA -0.159 3.962 4.120 0.002 0.000 0.248 184 V C 2.024 177.998 176.094 -0.199 0.000 1.051 184 V CA 1.596 63.802 62.300 -0.157 0.000 1.048 184 V CB -1.453 30.536 31.823 0.278 0.000 0.666 184 V HN 0.285 nan 8.190 nan 0.000 0.456 185 V N 1.143 120.985 119.914 -0.119 0.000 2.214 185 V HA -0.272 3.849 4.120 0.002 0.000 0.244 185 V C 2.601 178.561 176.094 -0.224 0.000 1.045 185 V CA 2.795 65.020 62.300 -0.126 0.000 0.993 185 V CB -0.913 30.860 31.823 -0.083 0.000 0.633 185 V HN 0.531 nan 8.190 nan 0.000 0.449 186 L N -0.489 120.578 121.223 -0.258 0.000 2.083 186 L HA -0.138 4.203 4.340 0.002 0.000 0.209 186 L C 2.372 178.977 176.870 -0.441 0.000 1.083 186 L CA 1.701 56.367 54.840 -0.290 0.000 0.752 186 L CB -0.938 40.971 42.059 -0.250 0.000 0.899 186 L HN 0.202 nan 8.230 nan 0.000 0.433 187 K N 0.132 120.130 120.400 -0.669 0.000 2.103 187 K HA -0.133 4.188 4.320 0.002 0.000 0.207 187 K C 2.042 178.122 176.600 -0.866 0.000 1.048 187 K CA 1.128 56.769 56.287 -1.077 0.000 0.930 187 K CB -0.191 31.238 32.500 -1.786 0.000 0.716 187 K HN 0.267 nan 8.250 nan 0.000 0.444 188 N N 0.294 118.668 118.700 -0.543 0.000 2.109 188 N HA -0.145 4.596 4.740 0.002 0.000 0.188 188 N C 1.572 176.928 175.510 -0.257 0.000 1.034 188 N CA 1.010 53.871 53.050 -0.314 0.000 0.846 188 N CB -0.187 38.203 38.487 -0.161 0.000 1.010 188 N HN 0.341 nan 8.380 nan 0.000 0.425 189 E N 0.748 120.806 120.200 -0.238 0.000 2.147 189 E HA -0.221 4.130 4.350 0.002 0.000 0.199 189 E C 1.911 178.384 176.600 -0.212 0.000 1.005 189 E CA 0.966 57.253 56.400 -0.188 0.000 0.810 189 E CB -0.044 29.555 29.700 -0.168 0.000 0.736 189 E HN 0.244 nan 8.360 nan 0.000 0.460 190 M N -0.057 119.367 119.600 -0.293 0.000 2.175 190 M HA -0.128 4.354 4.480 0.002 0.000 0.264 190 M C 2.121 178.241 176.300 -0.301 0.000 1.063 190 M CA 1.679 56.794 55.300 -0.308 0.000 1.119 190 M CB -0.159 32.194 32.600 -0.411 0.000 1.377 190 M HN 0.202 nan 8.290 nan 0.000 0.415 191 A N 0.567 123.191 122.820 -0.325 0.000 1.874 191 A HA -0.103 4.218 4.320 0.002 0.000 0.214 191 A C 2.078 179.664 177.584 0.003 0.000 1.189 191 A CA 1.135 53.063 52.037 -0.182 0.000 0.615 191 A CB -0.556 18.347 19.000 -0.162 0.000 0.830 191 A HN 0.545 nan 8.150 nan 0.000 0.443 192 R N -0.307 120.156 120.500 -0.062 0.000 2.105 192 R HA -0.131 4.210 4.340 0.002 0.000 0.239 192 R C 2.332 178.556 176.300 -0.127 0.000 1.135 192 R CA 1.302 57.372 56.100 -0.050 0.000 0.967 192 R CB -0.420 29.843 30.300 -0.062 0.000 0.861 192 R HN 0.513 nan 8.270 nan 0.000 0.442 193 A N 1.100 123.822 122.820 -0.163 0.000 1.968 193 A HA -0.074 4.247 4.320 0.002 0.000 0.217 193 A C 1.308 178.702 177.584 -0.317 0.000 1.169 193 A CA 1.040 52.932 52.037 -0.243 0.000 0.638 193 A CB -0.097 18.802 19.000 -0.169 0.000 0.812 193 A HN 0.201 nan 8.150 nan 0.000 0.446 194 N N -0.102 118.539 118.700 -0.098 0.000 2.362 194 N HA 0.093 4.834 4.740 0.002 0.000 0.204 194 N C -0.711 174.924 175.510 0.208 0.000 1.166 194 N CA 0.238 53.349 53.050 0.102 0.000 0.831 194 N CB -0.565 38.105 38.487 0.304 0.000 1.008 194 N HN 0.634 nan 8.380 nan 0.000 0.472 195 H N -1.844 117.302 119.070 0.127 0.000 2.770 195 H HA -0.224 4.333 4.556 0.002 0.000 0.309 195 H C -0.898 174.382 175.328 -0.080 0.000 1.206 195 H CA 0.617 56.674 56.048 0.014 0.000 1.147 195 H CB -2.295 27.440 29.762 -0.045 0.000 1.422 195 H HN 0.325 nan 8.280 nan 0.000 0.420 196 Y N -0.582 119.784 120.300 0.109 0.000 2.487 196 Y HA 0.202 4.753 4.550 0.002 0.000 0.337 196 Y C 1.734 177.667 175.900 0.056 0.000 1.076 196 Y CA -0.848 57.314 58.100 0.103 0.000 1.115 196 Y CB 1.081 39.642 38.460 0.169 0.000 1.235 196 Y HN 0.150 nan 8.280 nan 0.000 0.468 197 E N 0.949 121.267 120.200 0.195 0.000 2.051 197 E HA -0.133 4.219 4.350 0.002 0.000 0.192 197 E C -0.662 175.993 176.600 0.091 0.000 0.991 197 E CA 1.768 58.232 56.400 0.106 0.000 0.799 197 E CB 0.077 29.820 29.700 0.071 0.000 0.748 197 E HN 0.776 nan 8.360 nan 0.000 0.449 198 D N -3.201 117.260 120.400 0.103 0.000 2.643 198 D HA 0.023 4.664 4.640 0.002 0.000 0.283 198 D C 0.058 176.363 176.300 0.007 0.000 1.242 198 D CA -0.746 53.287 54.000 0.055 0.000 0.863 198 D CB -0.017 40.835 40.800 0.087 0.000 1.382 198 D HN -0.187 nan 8.370 nan 0.000 0.444 199 Y N 0.726 120.836 120.300 -0.318 0.000 2.256 199 Y HA -0.005 4.546 4.550 0.002 0.000 0.288 199 Y C 2.111 177.674 175.900 -0.562 0.000 1.155 199 Y CA 2.260 59.958 58.100 -0.670 0.000 1.203 199 Y CB -0.627 37.098 38.460 -1.226 0.000 0.980 199 Y HN 0.600 nan 8.280 nan 0.000 0.530 200 G N -0.381 108.298 108.800 -0.202 0.000 2.459 200 G HA2 -0.367 3.595 3.960 0.002 0.000 0.217 200 G HA3 -0.367 3.595 3.960 0.002 0.000 0.217 200 G C 1.405 176.304 174.900 -0.002 0.000 1.183 200 G CA 1.143 46.320 45.100 0.129 0.000 0.776 200 G HN 0.463 nan 8.290 nan 0.000 0.552 201 D N -0.966 119.438 120.400 0.006 0.000 2.190 201 D HA -0.198 4.443 4.640 0.002 0.000 0.200 201 D C 1.978 178.384 176.300 0.176 0.000 0.992 201 D CA 0.866 54.916 54.000 0.083 0.000 0.854 201 D CB -0.287 40.607 40.800 0.157 0.000 0.936 201 D HN 0.364 nan 8.370 nan 0.000 0.462 202 Y N -0.554 119.642 120.300 -0.174 0.000 2.145 202 Y HA -0.178 4.373 4.550 0.002 0.000 0.286 202 Y C 1.804 177.588 175.900 -0.192 0.000 1.145 202 Y CA 1.736 59.513 58.100 -0.538 0.000 1.148 202 Y CB -0.330 37.714 38.460 -0.692 0.000 0.981 202 Y HN 0.083 nan 8.280 nan 0.000 0.507 203 W N 0.711 121.912 121.300 -0.166 0.000 2.388 203 W HA -0.062 4.599 4.660 0.002 0.000 0.294 203 W C 2.409 178.975 176.519 0.079 0.000 1.212 203 W CA 1.260 58.560 57.345 -0.074 0.000 1.271 203 W CB -0.783 28.709 29.460 0.053 0.000 1.126 203 W HN 0.100 nan 8.180 nan 0.000 0.535 204 R N -0.433 120.280 120.500 0.355 0.000 2.115 204 R HA -0.071 4.270 4.340 0.002 0.000 0.230 204 R C 2.445 178.941 176.300 0.328 0.000 1.111 204 R CA 1.212 57.511 56.100 0.331 0.000 0.976 204 R CB -1.116 29.249 30.300 0.108 0.000 0.870 204 R HN 0.159 nan 8.270 nan 0.000 0.445 205 G N 1.505 110.445 108.800 0.233 0.000 2.562 205 G HA2 -0.389 3.572 3.960 0.002 0.000 0.223 205 G HA3 -0.389 3.572 3.960 0.002 0.000 0.223 205 G C 0.939 175.936 174.900 0.162 0.000 1.102 205 G CA 1.492 46.730 45.100 0.229 0.000 0.742 205 G HN 0.383 nan 8.290 nan 0.000 0.587 206 D N -0.593 119.868 120.400 0.102 0.000 2.182 206 D HA -0.149 4.492 4.640 0.002 0.000 0.201 206 D C 1.519 177.777 176.300 -0.070 0.000 0.986 206 D CA 0.805 54.773 54.000 -0.054 0.000 0.847 206 D CB -0.183 40.495 40.800 -0.203 0.000 0.942 206 D HN 0.489 nan 8.370 nan 0.000 0.467 207 Y N 0.253 120.619 120.300 0.111 0.000 2.493 207 Y HA 0.303 4.854 4.550 0.002 0.000 0.275 207 Y C 0.622 176.778 175.900 0.427 0.000 1.183 207 Y CA -0.282 57.945 58.100 0.212 0.000 1.258 207 Y CB -0.280 38.164 38.460 -0.025 0.000 1.108 207 Y HN -0.022 nan 8.280 nan 0.000 0.521 208 E N 0.886 121.333 120.200 0.412 0.000 2.349 208 E HA 0.434 4.785 4.350 0.002 0.000 0.262 208 E C -1.140 175.601 176.600 0.235 0.000 1.088 208 E CA -0.521 56.083 56.400 0.339 0.000 0.899 208 E CB 1.387 31.231 29.700 0.240 0.000 1.044 208 E HN -0.030 nan 8.360 nan 0.000 0.420 209 V N 3.386 123.406 119.914 0.176 0.000 2.789 209 V HA 0.385 4.506 4.120 0.002 0.000 0.300 209 V C -1.840 174.292 176.094 0.063 0.000 1.184 209 V CA -0.541 61.803 62.300 0.074 0.000 0.930 209 V CB 1.752 33.563 31.823 -0.019 0.000 1.041 209 V HN 0.858 nan 8.190 nan 0.000 0.430 210 N N 3.991 122.713 118.700 0.037 0.000 2.335 210 N HA 0.737 5.479 4.740 0.002 0.000 0.304 210 N C 0.684 176.203 175.510 0.014 0.000 1.135 210 N CA -0.192 52.872 53.050 0.024 0.000 0.817 210 N CB 1.821 40.316 38.487 0.014 0.000 1.294 210 N HN 1.390 nan 8.380 nan 0.000 0.497 211 G N -0.239 108.568 108.800 0.011 0.000 2.258 211 G HA2 -0.235 3.726 3.960 0.002 0.000 0.274 211 G HA3 -0.235 3.726 3.960 0.002 0.000 0.274 211 G C -0.510 174.400 174.900 0.017 0.000 1.021 211 G CA 0.142 45.247 45.100 0.008 0.000 0.798 211 G HN 0.359 nan 8.290 nan 0.000 0.507 212 V N 0.734 120.667 119.914 0.032 0.000 2.409 212 V HA 0.275 4.396 4.120 0.002 0.000 0.291 212 V C 0.402 176.551 176.094 0.091 0.000 1.020 212 V CA -1.253 61.084 62.300 0.062 0.000 0.848 212 V CB 1.763 33.623 31.823 0.062 0.000 0.990 212 V HN 0.332 nan 8.190 nan 0.000 0.430 213 D N 4.424 124.868 120.400 0.074 0.000 2.819 213 D HA -0.031 4.610 4.640 0.002 0.000 0.236 213 D C 1.322 177.595 176.300 -0.044 0.000 1.181 213 D CA 1.647 55.661 54.000 0.023 0.000 0.855 213 D CB 0.655 41.466 40.800 0.019 0.000 1.146 213 D HN 1.075 nan 8.370 nan 0.000 0.540 214 G N 3.588 112.337 108.800 -0.084 0.000 2.416 214 G HA2 -0.312 3.649 3.960 0.002 0.000 0.301 214 G HA3 -0.312 3.649 3.960 0.002 0.000 0.301 214 G C 0.383 175.108 174.900 -0.293 0.000 0.985 214 G CA 0.277 45.272 45.100 -0.174 0.000 0.934 214 G HN 0.631 nan 8.290 nan 0.000 0.513 215 Y N -0.544 119.724 120.300 -0.054 0.000 2.717 215 Y HA 0.247 4.798 4.550 0.002 0.000 0.250 215 Y C 0.984 176.825 175.900 -0.097 0.000 1.149 215 Y CA -1.089 56.962 58.100 -0.082 0.000 1.211 215 Y CB 0.557 38.965 38.460 -0.087 0.000 1.289 215 Y HN 0.230 nan 8.280 nan 0.000 0.552 216 D N -0.187 120.258 120.400 0.075 0.000 2.377 216 D HA 0.134 4.775 4.640 0.002 0.000 0.245 216 D C -0.987 175.360 176.300 0.079 0.000 1.196 216 D CA 0.420 54.453 54.000 0.054 0.000 0.962 216 D CB 1.125 41.940 40.800 0.025 0.000 1.127 216 D HN 0.092 nan 8.370 nan 0.000 0.471 217 Y N -0.184 120.111 120.300 -0.008 0.000 2.401 217 Y HA 0.173 4.724 4.550 0.002 0.000 0.330 217 Y C -0.366 175.589 175.900 0.090 0.000 1.071 217 Y CA -0.607 57.524 58.100 0.052 0.000 1.049 217 Y CB 1.639 40.160 38.460 0.102 0.000 1.239 217 Y HN 0.236 nan 8.280 nan 0.000 0.437 218 S N 4.346 120.033 115.700 -0.021 0.000 2.565 218 S HA 0.274 4.745 4.470 0.002 0.000 0.276 218 S C 1.189 175.924 174.600 0.224 0.000 1.326 218 S CA -0.387 57.851 58.200 0.064 0.000 1.045 218 S CB 0.901 64.072 63.200 -0.048 0.000 0.918 218 S HN 0.956 nan 8.310 nan 0.000 0.505 219 R N 2.585 123.196 120.500 0.186 0.000 2.200 219 R HA -0.097 4.244 4.340 0.002 0.000 0.234 219 R C 1.771 178.142 176.300 0.118 0.000 1.127 219 R CA 1.419 57.637 56.100 0.195 0.000 0.989 219 R CB -0.420 29.965 30.300 0.143 0.000 0.869 219 R HN 0.787 nan 8.270 nan 0.000 0.459 220 G N -1.120 107.715 108.800 0.059 0.000 3.044 220 G HA2 -0.099 3.862 3.960 0.002 0.000 0.223 220 G HA3 -0.099 3.862 3.960 0.002 0.000 0.223 220 G C 0.976 175.879 174.900 0.006 0.000 1.123 220 G CA -0.364 44.730 45.100 -0.010 0.000 0.765 220 G HN 0.195 nan 8.290 nan 0.000 0.546 221 Q N -0.169 119.644 119.800 0.021 0.000 2.369 221 Q HA 0.017 4.358 4.340 0.002 0.000 0.206 221 Q C 2.240 178.329 176.000 0.149 0.000 0.963 221 Q CA 0.461 56.228 55.803 -0.061 0.000 0.894 221 Q CB 0.019 28.517 28.738 -0.400 0.000 0.965 221 Q HN 0.449 nan 8.270 nan 0.000 0.475 222 L N 0.675 122.120 121.223 0.369 0.000 1.976 222 L HA -0.201 4.141 4.340 0.002 0.000 0.209 222 L C 2.030 178.974 176.870 0.123 0.000 1.071 222 L CA 1.662 56.682 54.840 0.301 0.000 0.746 222 L CB -0.561 41.565 42.059 0.111 0.000 0.890 222 L HN 0.212 nan 8.230 nan 0.000 0.432 223 I N -0.000 120.574 120.570 0.008 0.000 2.113 223 I HA -0.396 3.775 4.170 0.002 0.000 0.242 223 I C 2.575 178.760 176.117 0.113 0.000 1.064 223 I CA 2.115 63.444 61.300 0.048 0.000 1.320 223 I CB -0.642 37.312 38.000 -0.076 0.000 1.028 223 I HN 0.547 nan 8.210 nan 0.000 0.406 224 E N 1.117 121.365 120.200 0.081 0.000 2.031 224 E HA -0.272 4.079 4.350 0.002 0.000 0.193 224 E C 1.572 178.253 176.600 0.134 0.000 0.994 224 E CA 1.824 58.278 56.400 0.090 0.000 0.800 224 E CB -0.384 29.336 29.700 0.033 0.000 0.752 224 E HN 0.374 nan 8.360 nan 0.000 0.447 225 D N 0.130 120.621 120.400 0.152 0.000 2.384 225 D HA -0.061 4.580 4.640 0.002 0.000 0.222 225 D C 1.775 178.179 176.300 0.174 0.000 0.976 225 D CA 0.585 54.709 54.000 0.206 0.000 0.915 225 D CB 0.490 41.473 40.800 0.305 0.000 0.896 225 D HN 0.182 nan 8.370 nan 0.000 0.523 226 V N 0.540 120.511 119.914 0.096 0.000 2.436 226 V HA -0.090 4.031 4.120 0.002 0.000 0.240 226 V C 2.288 178.303 176.094 -0.131 0.000 1.040 226 V CA 0.816 63.073 62.300 -0.071 0.000 1.052 226 V CB -0.214 31.508 31.823 -0.169 0.000 0.707 226 V HN 0.060 nan 8.190 nan 0.000 0.469 227 E N -0.266 119.905 120.200 -0.048 0.000 2.085 227 E HA -0.262 4.089 4.350 0.002 0.000 0.194 227 E C 2.147 178.794 176.600 0.078 0.000 0.994 227 E CA 1.481 57.861 56.400 -0.033 0.000 0.801 227 E CB -0.203 29.568 29.700 0.119 0.000 0.743 227 E HN 0.623 nan 8.360 nan 0.000 0.453 228 H N -0.370 118.724 119.070 0.040 0.000 2.535 228 H HA 0.023 4.580 4.556 0.002 0.000 0.273 228 H C 1.744 177.107 175.328 0.057 0.000 0.983 228 H CA 1.039 57.117 56.048 0.049 0.000 1.238 228 H CB 0.586 30.378 29.762 0.049 0.000 1.412 228 H HN 0.045 nan 8.280 nan 0.000 0.562 229 T N -0.395 114.225 114.554 0.110 0.000 3.081 229 T HA -0.037 4.314 4.350 0.002 0.000 0.250 229 T C 1.229 176.005 174.700 0.127 0.000 1.100 229 T CA -0.085 62.075 62.100 0.100 0.000 1.038 229 T CB -0.259 68.721 68.868 0.186 0.000 0.962 229 T HN 0.206 nan 8.240 nan 0.000 0.516 230 F N 1.741 121.627 119.950 -0.107 0.000 2.220 230 F HA 0.262 4.790 4.527 0.002 0.000 0.290 230 F C 2.079 177.806 175.800 -0.122 0.000 1.080 230 F CA 0.627 58.538 58.000 -0.149 0.000 1.318 230 F CB -0.042 38.704 39.000 -0.423 0.000 1.063 230 F HN 0.015 nan 8.300 nan 0.000 0.498 231 E N 0.689 120.791 120.200 -0.164 0.000 2.171 231 E HA -0.246 4.105 4.350 0.002 0.000 0.197 231 E C 2.007 178.455 176.600 -0.254 0.000 0.997 231 E CA 1.409 57.675 56.400 -0.223 0.000 0.810 231 E CB -0.377 29.233 29.700 -0.149 0.000 0.738 231 E HN 0.567 nan 8.360 nan 0.000 0.467 232 E N -0.223 119.834 120.200 -0.237 0.000 2.152 232 E HA -0.026 4.326 4.350 0.002 0.000 0.192 232 E C 1.737 178.205 176.600 -0.220 0.000 0.983 232 E CA 0.237 56.513 56.400 -0.206 0.000 0.818 232 E CB 0.118 29.715 29.700 -0.170 0.000 0.758 232 E HN 0.097 nan 8.360 nan 0.000 0.467 233 I N 0.596 121.016 120.570 -0.249 0.000 3.728 233 I HA -0.049 4.122 4.170 0.002 0.000 0.307 233 I C 1.686 177.628 176.117 -0.293 0.000 1.276 233 I CA 0.654 61.809 61.300 -0.243 0.000 1.285 233 I CB -0.063 37.851 38.000 -0.143 0.000 1.038 233 I HN -0.017 nan 8.210 nan 0.000 0.445 234 K N 1.927 122.082 120.400 -0.408 0.000 2.026 234 K HA -0.093 4.228 4.320 0.002 0.000 0.208 234 K C -0.703 175.883 176.600 -0.024 0.000 1.048 234 K CA 1.675 57.777 56.287 -0.308 0.000 0.929 234 K CB -0.781 31.495 32.500 -0.373 0.000 0.713 234 K HN 0.159 nan 8.250 nan 0.000 0.439 235 P HA -0.192 nan 4.420 nan 0.000 0.215 235 P C 1.261 178.755 177.300 0.324 0.000 1.157 235 P CA 1.015 64.204 63.100 0.149 0.000 0.874 235 P CB -0.036 31.705 31.700 0.067 0.000 0.790 236 L N -1.555 119.710 121.223 0.071 0.000 2.079 236 L HA -0.196 4.145 4.340 0.002 0.000 0.210 236 L C 2.383 179.439 176.870 0.309 0.000 1.081 236 L CA 1.836 56.783 54.840 0.179 0.000 0.752 236 L CB -1.570 40.407 42.059 -0.138 0.000 0.896 236 L HN -0.074 nan 8.230 nan 0.000 0.433 237 Y N 0.673 121.039 120.300 0.110 0.000 2.200 237 Y HA -0.174 4.377 4.550 0.002 0.000 0.290 237 Y C 2.352 178.441 175.900 0.315 0.000 1.137 237 Y CA 2.047 60.243 58.100 0.160 0.000 1.163 237 Y CB -0.307 38.224 38.460 0.118 0.000 0.988 237 Y HN 0.415 nan 8.280 nan 0.000 0.518 238 E N -1.106 119.205 120.200 0.186 0.000 2.110 238 E HA -0.228 4.123 4.350 0.002 0.000 0.193 238 E C 2.036 178.697 176.600 0.102 0.000 0.988 238 E CA 1.263 57.739 56.400 0.127 0.000 0.804 238 E CB -0.327 29.417 29.700 0.073 0.000 0.745 238 E HN 0.647 nan 8.360 nan 0.000 0.458 239 H N 0.243 119.398 119.070 0.142 0.000 2.457 239 H HA -0.034 4.523 4.556 0.002 0.000 0.294 239 H C 2.252 177.672 175.328 0.153 0.000 1.064 239 H CA 0.665 56.784 56.048 0.118 0.000 1.330 239 H CB 0.173 29.978 29.762 0.071 0.000 1.395 239 H HN 0.165 nan 8.280 nan 0.000 0.541 240 L N 0.656 122.044 121.223 0.275 0.000 2.072 240 L HA -0.156 4.185 4.340 0.002 0.000 0.205 240 L C 2.497 179.539 176.870 0.287 0.000 1.079 240 L CA 1.389 56.392 54.840 0.272 0.000 0.752 240 L CB -0.587 41.629 42.059 0.261 0.000 0.906 240 L HN 0.362 nan 8.230 nan 0.000 0.436 241 H N 0.192 119.275 119.070 0.022 0.000 2.321 241 H HA -0.123 4.434 4.556 0.002 0.000 0.300 241 H C 1.879 177.193 175.328 -0.023 0.000 1.087 241 H CA 1.652 57.669 56.048 -0.051 0.000 1.319 241 H CB 0.369 29.925 29.762 -0.343 0.000 1.379 241 H HN 0.427 nan 8.280 nan 0.000 0.501 242 A N 0.098 122.962 122.820 0.073 0.000 2.066 242 A HA -0.150 4.171 4.320 0.002 0.000 0.218 242 A C 2.249 179.813 177.584 -0.034 0.000 1.157 242 A CA 0.927 52.955 52.037 -0.016 0.000 0.670 242 A CB -0.948 18.032 19.000 -0.033 0.000 0.804 242 A HN 0.641 nan 8.150 nan 0.000 0.453 243 Y N 1.091 121.356 120.300 -0.059 0.000 2.153 243 Y HA -0.183 4.368 4.550 0.002 0.000 0.289 243 Y C 2.412 178.269 175.900 -0.072 0.000 1.127 243 Y CA 2.356 60.436 58.100 -0.034 0.000 1.131 243 Y CB -0.328 38.169 38.460 0.062 0.000 0.995 243 Y HN 0.176 nan 8.280 nan 0.000 0.505 244 V N 1.050 120.963 119.914 -0.002 0.000 2.295 244 V HA -0.305 3.816 4.120 0.002 0.000 0.246 244 V C 2.350 178.249 176.094 -0.325 0.000 1.049 244 V CA 2.219 64.415 62.300 -0.174 0.000 1.024 244 V CB -1.354 30.365 31.823 -0.174 0.000 0.648 244 V HN 0.510 nan 8.190 nan 0.000 0.447 245 R N 2.576 122.845 120.500 -0.384 0.000 2.133 245 R HA -0.111 4.230 4.340 0.002 0.000 0.247 245 R C 2.215 178.360 176.300 -0.258 0.000 1.151 245 R CA 2.108 57.999 56.100 -0.348 0.000 0.971 245 R CB -1.431 28.649 30.300 -0.366 0.000 0.866 245 R HN 0.524 nan 8.270 nan 0.000 0.447 246 A N 1.154 123.814 122.820 -0.267 0.000 1.902 246 A HA -0.078 4.243 4.320 0.002 0.000 0.217 246 A C 1.889 179.323 177.584 -0.250 0.000 1.181 246 A CA 1.363 53.255 52.037 -0.242 0.000 0.623 246 A CB -0.230 18.614 19.000 -0.259 0.000 0.818 246 A HN 0.171 nan 8.150 nan 0.000 0.443 247 K N -0.374 119.827 120.400 -0.332 0.000 2.296 247 K HA 0.169 4.490 4.320 0.002 0.000 0.200 247 K C 1.808 178.317 176.600 -0.151 0.000 1.048 247 K CA 0.470 56.597 56.287 -0.266 0.000 0.966 247 K CB -0.427 31.872 32.500 -0.335 0.000 0.754 247 K HN 0.529 nan 8.250 nan 0.000 0.466 248 L N 0.262 121.398 121.223 -0.145 0.000 2.044 248 L HA -0.081 4.260 4.340 0.002 0.000 0.205 248 L C 2.464 179.359 176.870 0.040 0.000 1.075 248 L CA 0.950 55.767 54.840 -0.039 0.000 0.747 248 L CB -0.348 41.636 42.059 -0.126 0.000 0.903 248 L HN 0.124 nan 8.230 nan 0.000 0.435 249 M N -0.321 119.257 119.600 -0.037 0.000 2.108 249 M HA -0.281 4.200 4.480 0.002 0.000 0.257 249 M C 1.804 178.110 176.300 0.009 0.000 1.071 249 M CA 1.715 57.010 55.300 -0.010 0.000 1.093 249 M CB -0.697 31.860 32.600 -0.072 0.000 1.345 249 M HN 0.299 nan 8.290 nan 0.000 0.403 250 N N 0.292 118.972 118.700 -0.034 0.000 2.309 250 N HA -0.040 4.701 4.740 0.002 0.000 0.182 250 N C 1.565 177.053 175.510 -0.037 0.000 1.018 250 N CA 1.524 54.548 53.050 -0.044 0.000 0.876 250 N CB -0.252 38.191 38.487 -0.074 0.000 0.972 250 N HN 0.399 nan 8.380 nan 0.000 0.434 251 A N -0.646 122.164 122.820 -0.018 0.000 1.956 251 A HA 0.093 4.414 4.320 0.002 0.000 0.212 251 A C 0.065 177.536 177.584 -0.189 0.000 1.188 251 A CA 0.406 52.379 52.037 -0.107 0.000 0.675 251 A CB -0.127 18.805 19.000 -0.114 0.000 0.845 251 A HN 0.248 nan 8.150 nan 0.000 0.455 252 Y N 0.806 121.123 120.300 0.029 0.000 2.842 252 Y HA 0.384 4.935 4.550 0.002 0.000 0.334 252 Y C -2.663 173.321 175.900 0.139 0.000 1.019 252 Y CA -2.893 55.284 58.100 0.128 0.000 1.258 252 Y CB 0.581 39.124 38.460 0.139 0.000 1.106 252 Y HN 0.172 nan 8.280 nan 0.000 0.545 253 P HA 0.216 nan 4.420 nan 0.000 0.274 253 P C 0.509 177.796 177.300 -0.022 0.000 1.237 253 P CA 0.368 63.501 63.100 0.056 0.000 0.793 253 P CB 1.557 33.257 31.700 -0.001 0.000 0.977 254 S N -1.102 114.524 115.700 -0.124 0.000 1.630 254 S HA -0.255 4.216 4.470 0.002 0.000 0.242 254 S C 1.256 175.678 174.600 -0.296 0.000 0.845 254 S CA 1.329 59.348 58.200 -0.302 0.000 1.337 254 S CB -2.309 60.528 63.200 -0.604 0.000 1.633 254 S HN 0.560 nan 8.310 nan 0.000 0.521 255 Y N 0.906 121.168 120.300 -0.064 0.000 2.448 255 Y HA 0.447 4.999 4.550 0.002 0.000 0.289 255 Y C 0.927 176.845 175.900 0.029 0.000 1.114 255 Y CA 0.383 58.431 58.100 -0.085 0.000 1.235 255 Y CB 0.314 38.640 38.460 -0.223 0.000 1.045 255 Y HN 0.290 nan 8.280 nan 0.000 0.554 256 I N -0.133 120.490 120.570 0.089 0.000 2.330 256 I HA 0.160 4.331 4.170 0.002 0.000 0.289 256 I C 0.015 175.975 176.117 -0.260 0.000 1.001 256 I CA -0.438 60.816 61.300 -0.077 0.000 1.193 256 I CB 1.465 39.412 38.000 -0.089 0.000 1.345 256 I HN -0.178 nan 8.210 nan 0.000 0.461 257 S N 7.264 122.593 115.700 -0.619 0.000 2.545 257 S HA 0.428 4.899 4.470 0.002 0.000 0.275 257 S C -1.833 172.466 174.600 -0.501 0.000 1.299 257 S CA -1.208 56.573 58.200 -0.699 0.000 1.048 257 S CB 0.883 63.265 63.200 -1.364 0.000 0.938 257 S HN 0.407 nan 8.310 nan 0.000 0.496 258 P HA 0.235 nan 4.420 nan 0.000 0.261 258 P C 0.686 178.059 177.300 0.122 0.000 1.352 258 P CA -0.027 63.017 63.100 -0.094 0.000 0.891 258 P CB -0.323 31.339 31.700 -0.064 0.000 1.383 259 I N -4.632 115.954 120.570 0.027 0.000 3.462 259 I HA 0.364 4.535 4.170 0.002 0.000 0.290 259 I C 0.942 177.202 176.117 0.238 0.000 1.236 259 I CA 0.019 61.492 61.300 0.288 0.000 1.418 259 I CB -0.199 37.854 38.000 0.088 0.000 1.102 259 I HN -0.215 nan 8.210 nan 0.000 0.441 260 G N 0.335 109.120 108.800 -0.026 0.000 2.685 260 G HA2 0.508 4.469 3.960 0.002 0.000 0.298 260 G HA3 0.508 4.469 3.960 0.002 0.000 0.298 260 G C -0.627 174.349 174.900 0.128 0.000 1.277 260 G CA -0.521 44.647 45.100 0.113 0.000 0.986 260 G HN 0.266 nan 8.290 nan 0.000 0.487 261 C N -0.656 118.820 119.300 0.294 0.000 2.705 261 C HA 0.394 4.855 4.460 0.002 0.000 0.365 261 C C 0.820 175.894 174.990 0.139 0.000 1.353 261 C CA -0.673 58.428 59.018 0.138 0.000 2.339 261 C CB -0.589 27.210 27.740 0.098 0.000 2.576 261 C HN 0.453 nan 8.230 nan 0.000 0.716 262 L N 1.967 123.225 121.223 0.058 0.000 2.350 262 L HA 0.314 4.655 4.340 0.002 0.000 0.275 262 L C -2.304 174.561 176.870 -0.008 0.000 1.099 262 L CA -1.404 53.409 54.840 -0.045 0.000 0.808 262 L CB 0.359 42.297 42.059 -0.202 0.000 1.149 262 L HN 0.350 nan 8.230 nan 0.000 0.442 263 P HA 0.106 nan 4.420 nan 0.000 0.279 263 P C 0.458 177.552 177.300 -0.342 0.000 1.318 263 P CA -0.125 62.881 63.100 -0.156 0.000 0.819 263 P CB 1.231 32.860 31.700 -0.119 0.000 0.927 264 A N 4.687 127.383 122.820 -0.206 0.000 1.942 264 A HA -0.285 4.036 4.320 0.002 0.000 0.227 264 A C 1.783 179.247 177.584 -0.200 0.000 1.445 264 A CA 2.357 54.353 52.037 -0.068 0.000 0.704 264 A CB -1.999 17.113 19.000 0.187 0.000 0.841 264 A HN 0.745 nan 8.150 nan 0.000 0.495 265 H N -0.537 118.149 119.070 -0.640 0.000 2.566 265 H HA 0.206 4.763 4.556 0.002 0.000 0.277 265 H C 0.979 176.133 175.328 -0.290 0.000 1.046 265 H CA 1.063 56.870 56.048 -0.401 0.000 1.172 265 H CB -0.559 28.860 29.762 -0.572 0.000 1.319 265 H HN 0.528 nan 8.280 nan 0.000 0.621 266 L N 0.706 121.516 121.223 -0.688 0.000 2.808 266 L HA 0.201 4.542 4.340 0.002 0.000 0.246 266 L C 1.179 177.857 176.870 -0.321 0.000 1.153 266 L CA -0.009 54.456 54.840 -0.626 0.000 0.956 266 L CB 0.395 41.905 42.059 -0.915 0.000 1.270 266 L HN 0.168 nan 8.230 nan 0.000 0.528 267 L N 0.119 121.233 121.223 -0.182 0.000 2.685 267 L HA 0.323 4.664 4.340 0.002 0.000 0.233 267 L C 1.416 178.334 176.870 0.080 0.000 1.173 267 L CA 0.361 55.121 54.840 -0.133 0.000 0.961 267 L CB -0.136 41.934 42.059 0.018 0.000 1.217 267 L HN 0.418 nan 8.230 nan 0.000 0.478 268 G N 0.994 109.839 108.800 0.075 0.000 2.179 268 G HA2 -0.292 3.669 3.960 0.002 0.000 0.260 268 G HA3 -0.292 3.669 3.960 0.002 0.000 0.260 268 G C -0.139 174.864 174.900 0.172 0.000 0.977 268 G CA 0.498 45.687 45.100 0.148 0.000 0.641 268 G HN 0.608 nan 8.290 nan 0.000 0.533 269 D N -3.034 117.469 120.400 0.173 0.000 2.622 269 D HA 0.505 5.146 4.640 0.002 0.000 0.255 269 D C 0.820 177.145 176.300 0.042 0.000 1.246 269 D CA -0.278 53.808 54.000 0.144 0.000 0.795 269 D CB -0.103 40.864 40.800 0.277 0.000 1.369 269 D HN 0.112 nan 8.370 nan 0.000 0.425 270 M N 0.013 119.409 119.600 -0.341 0.000 2.331 270 M HA -0.016 4.465 4.480 0.002 0.000 0.260 270 M C 0.081 176.042 176.300 -0.565 0.000 1.072 270 M CA 1.847 56.651 55.300 -0.826 0.000 1.065 270 M CB -0.314 31.110 32.600 -1.959 0.000 1.392 270 M HN 0.610 nan 8.290 nan 0.000 0.427 271 W N -2.348 119.061 121.300 0.182 0.000 2.942 271 W HA 0.481 5.142 4.660 0.002 0.000 0.260 271 W C 1.134 177.843 176.519 0.317 0.000 1.101 271 W CA 0.248 57.768 57.345 0.292 0.000 1.436 271 W CB -0.454 29.116 29.460 0.182 0.000 0.883 271 W HN 0.301 nan 8.180 nan 0.000 0.646 272 G N 2.289 111.329 108.800 0.401 0.000 2.248 272 G HA2 -0.340 3.621 3.960 0.002 0.000 0.252 272 G HA3 -0.340 3.621 3.960 0.002 0.000 0.252 272 G C 0.794 175.629 174.900 -0.109 0.000 1.085 272 G CA 0.477 45.779 45.100 0.337 0.000 0.845 272 G HN 0.279 nan 8.290 nan 0.000 0.494 273 R N -0.996 119.164 120.500 -0.568 0.000 2.073 273 R HA 0.308 4.649 4.340 0.002 0.000 0.229 273 R C 0.487 176.171 176.300 -1.027 0.000 1.120 273 R CA 0.994 56.239 56.100 -1.425 0.000 0.967 273 R CB 0.047 29.486 30.300 -1.435 0.000 0.862 273 R HN 0.419 nan 8.270 nan 0.000 0.436 274 F N -2.103 117.769 119.950 -0.131 0.000 2.577 274 F HA 0.273 4.801 4.527 0.002 0.000 0.318 274 F C -0.129 175.799 175.800 0.214 0.000 1.065 274 F CA -1.399 56.563 58.000 -0.063 0.000 0.929 274 F CB 1.222 40.208 39.000 -0.023 0.000 1.237 274 F HN -0.082 nan 8.300 nan 0.000 0.468 275 W N 0.268 121.727 121.300 0.266 0.000 3.211 275 W HA 0.079 4.740 4.660 0.002 0.000 0.292 275 W C 1.725 178.366 176.519 0.203 0.000 1.268 275 W CA -0.212 57.257 57.345 0.207 0.000 1.702 275 W CB -1.663 27.912 29.460 0.192 0.000 1.092 275 W HN 0.477 nan 8.180 nan 0.000 0.643 276 T N 0.463 115.235 114.554 0.364 0.000 2.635 276 T HA -0.412 3.939 4.350 0.002 0.000 0.265 276 T C 1.630 176.471 174.700 0.234 0.000 1.058 276 T CA 2.270 64.496 62.100 0.210 0.000 1.162 276 T CB -0.654 68.272 68.868 0.096 0.000 0.859 276 T HN 0.357 nan 8.240 nan 0.000 0.449 277 N N 0.309 119.164 118.700 0.259 0.000 2.022 277 N HA -0.106 4.635 4.740 0.002 0.000 0.195 277 N C 0.279 175.936 175.510 0.245 0.000 1.063 277 N CA 0.754 53.937 53.050 0.222 0.000 0.851 277 N CB -0.201 38.416 38.487 0.216 0.000 1.050 277 N HN 0.188 nan 8.380 nan 0.000 0.425 278 L N 1.690 123.055 121.223 0.237 0.000 2.401 278 L HA 0.050 4.391 4.340 0.002 0.000 0.283 278 L C 0.067 177.083 176.870 0.243 0.000 1.151 278 L CA 0.395 55.355 54.840 0.201 0.000 0.942 278 L CB -0.072 42.069 42.059 0.137 0.000 1.283 278 L HN 0.321 nan 8.230 nan 0.000 0.442 279 Y N 0.622 120.993 120.300 0.118 0.000 2.731 279 Y HA 0.013 4.564 4.550 0.002 0.000 0.269 279 Y C 2.004 177.965 175.900 0.103 0.000 1.156 279 Y CA 0.668 58.845 58.100 0.128 0.000 1.191 279 Y CB 0.092 38.634 38.460 0.137 0.000 1.382 279 Y HN 0.479 nan 8.280 nan 0.000 0.477 280 S N 1.103 116.831 115.700 0.046 0.000 2.441 280 S HA -0.222 4.249 4.470 0.002 0.000 0.242 280 S C 1.452 175.968 174.600 -0.140 0.000 1.018 280 S CA 1.891 60.040 58.200 -0.084 0.000 0.988 280 S CB -0.667 62.579 63.200 0.077 0.000 0.778 280 S HN 0.401 nan 8.310 nan 0.000 0.498 281 L N 1.719 122.890 121.223 -0.086 0.000 2.202 281 L HA 0.124 4.465 4.340 0.002 0.000 0.205 281 L C 2.647 179.456 176.870 -0.102 0.000 1.083 281 L CA 1.724 56.520 54.840 -0.073 0.000 0.790 281 L CB -1.070 40.977 42.059 -0.018 0.000 0.942 281 L HN 0.609 nan 8.230 nan 0.000 0.452 282 T N -3.860 110.635 114.554 -0.098 0.000 3.122 282 T HA 0.170 4.521 4.350 0.002 0.000 0.250 282 T C 0.662 175.337 174.700 -0.041 0.000 1.067 282 T CA -0.202 61.886 62.100 -0.020 0.000 0.966 282 T CB -0.446 68.495 68.868 0.121 0.000 1.002 282 T HN -0.044 nan 8.240 nan 0.000 0.542 283 V N 4.272 123.982 119.914 -0.340 0.000 2.720 283 V HA 0.135 4.256 4.120 0.002 0.000 0.307 283 V C -0.716 175.308 176.094 -0.117 0.000 1.071 283 V CA -1.142 60.908 62.300 -0.416 0.000 1.199 283 V CB 1.258 32.761 31.823 -0.533 0.000 0.900 283 V HN 0.257 nan 8.190 nan 0.000 0.494 284 P HA 0.076 nan 4.420 nan 0.000 0.212 284 P C 0.076 177.131 177.300 -0.410 0.000 1.171 284 P CA 0.894 63.860 63.100 -0.222 0.000 0.892 284 P CB 0.224 31.680 31.700 -0.408 0.000 0.769 285 F N 0.311 120.284 119.950 0.038 0.000 2.319 285 F HA 0.475 5.003 4.527 0.002 0.000 0.356 285 F C 1.777 177.598 175.800 0.035 0.000 1.100 285 F CA -0.688 57.337 58.000 0.041 0.000 1.220 285 F CB 0.328 39.342 39.000 0.024 0.000 1.506 285 F HN -0.070 nan 8.300 nan 0.000 0.512 286 G N 0.559 109.429 108.800 0.116 0.000 2.498 286 G HA2 -0.227 3.735 3.960 0.002 0.000 0.219 286 G HA3 -0.227 3.735 3.960 0.002 0.000 0.219 286 G C 1.433 176.395 174.900 0.102 0.000 1.119 286 G CA 0.502 45.652 45.100 0.083 0.000 0.766 286 G HN 0.413 nan 8.290 nan 0.000 0.552 287 Q N 0.033 119.909 119.800 0.126 0.000 2.181 287 Q HA -0.020 4.321 4.340 0.002 0.000 0.205 287 Q C 0.970 177.021 176.000 0.085 0.000 0.980 287 Q CA 0.790 56.652 55.803 0.099 0.000 0.862 287 Q CB 0.039 28.842 28.738 0.108 0.000 0.905 287 Q HN 0.174 nan 8.270 nan 0.000 0.429 288 K N 1.557 122.020 120.400 0.106 0.000 2.295 288 K HA 0.156 4.477 4.320 0.002 0.000 0.270 288 K C -2.290 174.370 176.600 0.100 0.000 1.011 288 K CA -1.920 54.410 56.287 0.072 0.000 0.953 288 K CB -0.642 31.900 32.500 0.071 0.000 0.956 288 K HN 0.021 nan 8.250 nan 0.000 0.477 289 P HA -0.055 nan 4.420 nan 0.000 0.262 289 P C -0.262 177.188 177.300 0.251 0.000 1.182 289 P CA -0.017 63.190 63.100 0.179 0.000 0.761 289 P CB 0.232 32.086 31.700 0.258 0.000 0.795 290 N N 2.428 121.234 118.700 0.178 0.000 2.497 290 N HA 0.077 4.818 4.740 0.002 0.000 0.268 290 N C 0.437 176.006 175.510 0.098 0.000 1.171 290 N CA -0.338 52.804 53.050 0.153 0.000 0.948 290 N CB -0.061 38.492 38.487 0.112 0.000 1.069 290 N HN 0.182 nan 8.380 nan 0.000 0.460 291 I N 0.095 120.725 120.570 0.100 0.000 3.702 291 I HA 0.219 4.390 4.170 0.002 0.000 0.305 291 I C 0.061 176.125 176.117 -0.088 0.000 1.346 291 I CA -0.027 61.248 61.300 -0.043 0.000 1.258 291 I CB -0.847 37.156 38.000 0.005 0.000 1.121 291 I HN 0.294 nan 8.210 nan 0.000 0.437 292 D N 1.095 121.455 120.400 -0.067 0.000 2.373 292 D HA 0.246 4.887 4.640 0.002 0.000 0.227 292 D C 1.195 177.408 176.300 -0.145 0.000 1.091 292 D CA -0.198 53.752 54.000 -0.083 0.000 0.840 292 D CB 1.910 42.695 40.800 -0.026 0.000 1.060 292 D HN 0.107 nan 8.370 nan 0.000 0.502 293 V N 1.416 121.202 119.914 -0.213 0.000 3.623 293 V HA -0.022 4.099 4.120 0.002 0.000 0.271 293 V C 2.194 178.135 176.094 -0.254 0.000 1.248 293 V CA 0.446 62.576 62.300 -0.283 0.000 1.156 293 V CB -0.491 31.093 31.823 -0.398 0.000 0.870 293 V HN 0.516 nan 8.190 nan 0.000 0.453 294 T N 2.618 117.067 114.554 -0.174 0.000 2.731 294 T HA -0.340 4.011 4.350 0.002 0.000 0.263 294 T C 1.496 176.130 174.700 -0.109 0.000 1.033 294 T CA 2.938 64.972 62.100 -0.111 0.000 1.160 294 T CB -0.409 68.430 68.868 -0.049 0.000 0.849 294 T HN 0.968 nan 8.240 nan 0.000 0.469 295 D N -0.478 119.854 120.400 -0.114 0.000 2.366 295 D HA 0.306 4.947 4.640 0.002 0.000 0.205 295 D C 2.097 178.313 176.300 -0.141 0.000 1.022 295 D CA 0.792 54.734 54.000 -0.096 0.000 0.868 295 D CB -0.772 39.992 40.800 -0.060 0.000 0.953 295 D HN 0.487 nan 8.370 nan 0.000 0.514 296 A N 0.899 123.598 122.820 -0.202 0.000 1.933 296 A HA -0.090 4.231 4.320 0.002 0.000 0.218 296 A C 2.333 179.710 177.584 -0.344 0.000 1.175 296 A CA 1.481 53.365 52.037 -0.255 0.000 0.628 296 A CB -0.662 18.153 19.000 -0.308 0.000 0.814 296 A HN 0.180 nan 8.150 nan 0.000 0.444 297 M N -0.773 118.573 119.600 -0.423 0.000 2.067 297 M HA -0.153 4.328 4.480 0.002 0.000 0.260 297 M C 2.106 178.250 176.300 -0.261 0.000 1.069 297 M CA 1.696 56.662 55.300 -0.557 0.000 1.117 297 M CB -0.387 31.976 32.600 -0.395 0.000 1.334 297 M HN 0.256 nan 8.290 nan 0.000 0.407 298 V N 0.059 119.900 119.914 -0.122 0.000 2.324 298 V HA -0.331 3.791 4.120 0.002 0.000 0.250 298 V C 1.938 178.019 176.094 -0.021 0.000 1.060 298 V CA 1.973 64.258 62.300 -0.024 0.000 1.042 298 V CB -0.813 31.001 31.823 -0.015 0.000 0.650 298 V HN 0.511 nan 8.190 nan 0.000 0.450 299 D N -0.510 119.849 120.400 -0.068 0.000 2.310 299 D HA -0.124 4.517 4.640 0.002 0.000 0.212 299 D C 1.789 178.075 176.300 -0.023 0.000 0.965 299 D CA 0.889 54.861 54.000 -0.047 0.000 0.879 299 D CB 0.119 40.877 40.800 -0.071 0.000 0.921 299 D HN 0.578 nan 8.370 nan 0.000 0.510 300 Q N -0.768 119.010 119.800 -0.035 0.000 2.188 300 Q HA 0.372 4.713 4.340 0.002 0.000 0.212 300 Q C 0.414 176.585 176.000 0.285 0.000 0.846 300 Q CA 0.026 55.882 55.803 0.089 0.000 0.989 300 Q CB 1.110 29.867 28.738 0.031 0.000 1.114 300 Q HN 0.160 nan 8.270 nan 0.000 0.488 301 A N 0.164 123.101 122.820 0.194 0.000 2.745 301 A HA -0.183 4.138 4.320 0.002 0.000 0.296 301 A C -0.777 176.995 177.584 0.314 0.000 1.500 301 A CA 0.361 52.520 52.037 0.204 0.000 0.766 301 A CB -2.018 17.065 19.000 0.138 0.000 1.030 301 A HN 0.490 nan 8.150 nan 0.000 0.489 302 W N 1.313 122.638 121.300 0.041 0.000 2.356 302 W HA 0.483 5.144 4.660 0.002 0.000 0.311 302 W C 0.484 177.053 176.519 0.083 0.000 1.328 302 W CA 0.129 57.514 57.345 0.066 0.000 1.251 302 W CB 0.363 29.867 29.460 0.073 0.000 1.280 302 W HN 0.635 nan 8.180 nan 0.000 0.524 303 D N 0.900 121.423 120.400 0.205 0.000 2.387 303 D HA 0.440 5.081 4.640 0.002 0.000 0.255 303 D C 1.154 177.577 176.300 0.205 0.000 1.081 303 D CA -0.516 53.585 54.000 0.169 0.000 0.994 303 D CB 0.428 41.288 40.800 0.099 0.000 1.127 303 D HN 0.293 nan 8.370 nan 0.000 0.513 304 A N -0.119 122.828 122.820 0.212 0.000 2.042 304 A HA -0.305 4.016 4.320 0.002 0.000 0.222 304 A C 2.018 179.816 177.584 0.357 0.000 1.167 304 A CA 2.191 54.403 52.037 0.293 0.000 0.649 304 A CB -0.938 18.205 19.000 0.238 0.000 0.809 304 A HN 0.701 nan 8.150 nan 0.000 0.457 305 Q N -1.239 118.693 119.800 0.220 0.000 2.187 305 Q HA -0.095 4.246 4.340 0.002 0.000 0.199 305 Q C 2.162 178.253 176.000 0.152 0.000 0.957 305 Q CA 1.240 57.164 55.803 0.201 0.000 0.857 305 Q CB -0.007 28.771 28.738 0.066 0.000 0.929 305 Q HN 0.514 nan 8.270 nan 0.000 0.453 306 R N 0.308 120.826 120.500 0.030 0.000 2.189 306 R HA 0.001 4.342 4.340 0.002 0.000 0.218 306 R C 1.464 177.689 176.300 -0.125 0.000 1.074 306 R CA 1.054 57.038 56.100 -0.192 0.000 0.991 306 R CB -0.282 29.709 30.300 -0.516 0.000 0.883 306 R HN 0.364 nan 8.270 nan 0.000 0.457 307 I N -0.676 119.991 120.570 0.162 0.000 2.130 307 I HA -0.202 3.969 4.170 0.002 0.000 0.234 307 I C 1.585 177.783 176.117 0.135 0.000 1.067 307 I CA 1.338 62.786 61.300 0.247 0.000 1.339 307 I CB -0.467 37.709 38.000 0.293 0.000 1.073 307 I HN 0.037 nan 8.210 nan 0.000 0.405 308 F N 1.174 121.241 119.950 0.196 0.000 2.202 308 F HA -0.212 4.316 4.527 0.002 0.000 0.301 308 F C 2.587 178.582 175.800 0.324 0.000 1.082 308 F CA 1.385 59.532 58.000 0.245 0.000 1.313 308 F CB -0.367 38.863 39.000 0.383 0.000 1.024 308 F HN -0.036 nan 8.300 nan 0.000 0.495 309 K N 0.369 121.046 120.400 0.462 0.000 2.062 309 K HA -0.171 4.150 4.320 0.002 0.000 0.205 309 K C 1.898 178.603 176.600 0.175 0.000 1.051 309 K CA 1.243 57.708 56.287 0.297 0.000 0.941 309 K CB -0.212 32.307 32.500 0.032 0.000 0.719 309 K HN 0.153 nan 8.250 nan 0.000 0.440 310 E N -0.018 120.245 120.200 0.105 0.000 2.409 310 E HA -0.049 4.302 4.350 0.002 0.000 0.198 310 E C 1.240 177.939 176.600 0.164 0.000 1.024 310 E CA 0.748 57.228 56.400 0.133 0.000 0.861 310 E CB 0.160 29.957 29.700 0.161 0.000 0.788 310 E HN 0.325 nan 8.360 nan 0.000 0.521 311 A N -0.027 122.808 122.820 0.024 0.000 1.942 311 A HA 0.002 4.323 4.320 0.002 0.000 0.209 311 A C 2.045 179.714 177.584 0.142 0.000 1.214 311 A CA 0.773 52.657 52.037 -0.255 0.000 0.686 311 A CB -0.381 18.191 19.000 -0.714 0.000 0.871 311 A HN 0.295 nan 8.150 nan 0.000 0.460 312 E N 0.400 120.738 120.200 0.231 0.000 2.065 312 E HA -0.330 4.021 4.350 0.002 0.000 0.201 312 E C 1.958 178.703 176.600 0.243 0.000 1.016 312 E CA 1.962 58.523 56.400 0.269 0.000 0.818 312 E CB -0.159 29.729 29.700 0.314 0.000 0.749 312 E HN 0.523 nan 8.360 nan 0.000 0.453 313 K N -0.401 120.118 120.400 0.198 0.000 2.103 313 K HA -0.197 4.124 4.320 0.002 0.000 0.207 313 K C 1.951 178.649 176.600 0.163 0.000 1.048 313 K CA 1.467 57.845 56.287 0.153 0.000 0.930 313 K CB -0.412 32.171 32.500 0.138 0.000 0.716 313 K HN 0.154 nan 8.250 nan 0.000 0.444 314 F N 0.711 120.681 119.950 0.032 0.000 2.025 314 F HA -0.265 4.263 4.527 0.002 0.000 0.297 314 F C 1.534 177.245 175.800 -0.148 0.000 1.132 314 F CA 1.727 59.687 58.000 -0.067 0.000 1.191 314 F CB -0.842 38.039 39.000 -0.197 0.000 0.963 314 F HN -0.026 nan 8.300 nan 0.000 0.481 315 F N 0.436 120.215 119.950 -0.285 0.000 2.091 315 F HA -0.244 4.284 4.527 0.002 0.000 0.299 315 F C 2.513 178.140 175.800 -0.288 0.000 1.103 315 F CA 1.814 59.569 58.000 -0.409 0.000 1.228 315 F CB -1.539 37.315 39.000 -0.243 0.000 0.984 315 F HN -0.147 nan 8.300 nan 0.000 0.477 316 V N 0.126 120.050 119.914 0.015 0.000 2.317 316 V HA -0.367 3.754 4.120 0.002 0.000 0.251 316 V C 2.470 178.521 176.094 -0.073 0.000 1.065 316 V CA 2.252 64.536 62.300 -0.027 0.000 1.049 316 V CB -1.242 30.585 31.823 0.006 0.000 0.651 316 V HN 0.567 nan 8.190 nan 0.000 0.450 317 S N -0.431 115.212 115.700 -0.095 0.000 2.481 317 S HA -0.053 4.418 4.470 0.002 0.000 0.231 317 S C 1.438 175.960 174.600 -0.129 0.000 0.996 317 S CA 1.233 59.380 58.200 -0.089 0.000 0.942 317 S CB -0.081 63.085 63.200 -0.056 0.000 0.768 317 S HN 0.415 nan 8.310 nan 0.000 0.520 318 V N 0.550 120.343 119.914 -0.201 0.000 3.596 318 V HA 0.520 4.641 4.120 0.002 0.000 0.289 318 V C 1.621 177.630 176.094 -0.142 0.000 1.336 318 V CA 0.137 62.320 62.300 -0.195 0.000 1.137 318 V CB -0.903 30.737 31.823 -0.305 0.000 0.966 318 V HN 0.707 nan 8.190 nan 0.000 0.428 319 G N 0.576 109.297 108.800 -0.133 0.000 2.134 319 G HA2 -0.188 3.773 3.960 0.002 0.000 0.209 319 G HA3 -0.188 3.773 3.960 0.002 0.000 0.209 319 G C -0.176 174.602 174.900 -0.203 0.000 0.993 319 G CA 0.026 45.039 45.100 -0.144 0.000 0.669 319 G HN 0.421 nan 8.290 nan 0.000 0.519 320 L N 0.119 121.234 121.223 -0.180 0.000 2.331 320 L HA 0.676 5.017 4.340 0.002 0.000 0.268 320 L C -1.966 174.792 176.870 -0.187 0.000 1.015 320 L CA -2.643 52.063 54.840 -0.223 0.000 0.807 320 L CB 1.464 43.427 42.059 -0.161 0.000 1.293 320 L HN -0.120 nan 8.230 nan 0.000 0.451 321 P HA 0.166 nan 4.420 nan 0.000 0.277 321 P C -1.610 175.599 177.300 -0.153 0.000 1.240 321 P CA -0.616 62.374 63.100 -0.184 0.000 0.798 321 P CB 0.267 31.837 31.700 -0.217 0.000 0.979 322 N N 1.746 120.391 118.700 -0.091 0.000 2.503 322 N HA 0.168 4.910 4.740 0.002 0.000 0.267 322 N C 0.142 175.588 175.510 -0.107 0.000 1.214 322 N CA -0.399 52.625 53.050 -0.043 0.000 0.959 322 N CB -0.185 38.328 38.487 0.043 0.000 1.142 322 N HN 0.207 nan 8.380 nan 0.000 0.455 323 M N 0.430 119.929 119.600 -0.170 0.000 2.246 323 M HA -0.015 4.466 4.480 0.002 0.000 0.327 323 M C 0.874 177.065 176.300 -0.182 0.000 1.090 323 M CA 0.326 55.357 55.300 -0.448 0.000 1.087 323 M CB -0.582 31.370 32.600 -1.080 0.000 1.587 323 M HN 0.772 nan 8.290 nan 0.000 0.444 324 T N 3.385 117.832 114.554 -0.180 0.000 2.871 324 T HA -0.014 4.337 4.350 0.002 0.000 0.296 324 T C 0.329 175.100 174.700 0.118 0.000 0.998 324 T CA -0.222 61.884 62.100 0.010 0.000 1.162 324 T CB 0.103 69.017 68.868 0.077 0.000 0.947 324 T HN 0.586 nan 8.240 nan 0.000 0.536 325 Q N 3.540 123.463 119.800 0.205 0.000 2.300 325 Q HA 0.289 4.630 4.340 0.002 0.000 0.280 325 Q C 1.210 177.330 176.000 0.200 0.000 1.033 325 Q CA 1.149 57.137 55.803 0.308 0.000 0.903 325 Q CB 0.087 28.954 28.738 0.214 0.000 1.195 325 Q HN 1.163 nan 8.270 nan 0.000 0.386 326 G N 4.244 113.169 108.800 0.209 0.000 2.424 326 G HA2 -0.346 3.616 3.960 0.002 0.000 0.207 326 G HA3 -0.346 3.616 3.960 0.002 0.000 0.207 326 G C 0.332 175.261 174.900 0.048 0.000 1.061 326 G CA 0.255 45.415 45.100 0.099 0.000 0.657 326 G HN 0.704 nan 8.290 nan 0.000 0.508 327 F N 1.265 121.156 119.950 -0.099 0.000 2.095 327 F HA 0.073 4.601 4.527 0.002 0.000 0.298 327 F C 2.323 177.980 175.800 -0.239 0.000 1.104 327 F CA 2.512 60.374 58.000 -0.230 0.000 1.232 327 F CB -0.404 38.383 39.000 -0.355 0.000 0.987 327 F HN 0.345 nan 8.300 nan 0.000 0.475 328 W N 0.910 122.340 121.300 0.218 0.000 2.355 328 W HA -0.102 4.559 4.660 0.002 0.000 0.309 328 W C 2.465 178.938 176.519 -0.077 0.000 1.206 328 W CA 1.387 58.770 57.345 0.064 0.000 1.284 328 W CB -0.536 29.001 29.460 0.128 0.000 1.145 328 W HN 0.007 nan 8.180 nan 0.000 0.502 329 E N -0.279 120.025 120.200 0.174 0.000 2.285 329 E HA -0.125 4.226 4.350 0.002 0.000 0.194 329 E C 0.393 176.993 176.600 0.000 0.000 0.997 329 E CA 0.898 57.348 56.400 0.084 0.000 0.845 329 E CB -0.227 29.520 29.700 0.079 0.000 0.782 329 E HN 0.383 nan 8.360 nan 0.000 0.491 330 N N -0.761 117.891 118.700 -0.079 0.000 2.536 330 N HA 0.049 4.790 4.740 0.002 0.000 0.286 330 N C -0.926 174.470 175.510 -0.190 0.000 1.577 330 N CA -0.199 52.792 53.050 -0.099 0.000 0.883 330 N CB 0.887 39.314 38.487 -0.100 0.000 1.390 330 N HN -0.200 nan 8.380 nan 0.000 0.491 331 S N 0.927 116.461 115.700 -0.276 0.000 2.480 331 S HA 0.461 4.932 4.470 0.002 0.000 0.286 331 S C -0.186 174.349 174.600 -0.108 0.000 1.180 331 S CA -0.819 57.177 58.200 -0.340 0.000 1.075 331 S CB 0.409 63.059 63.200 -0.917 0.000 0.996 331 S HN 0.463 nan 8.310 nan 0.000 0.487 332 M N 6.626 126.276 119.600 0.084 0.000 2.069 332 M HA 0.354 4.835 4.480 0.002 0.000 0.349 332 M C -1.129 175.100 176.300 -0.119 0.000 1.194 332 M CA -0.479 54.790 55.300 -0.051 0.000 1.081 332 M CB 0.041 32.557 32.600 -0.140 0.000 1.500 332 M HN 0.651 nan 8.290 nan 0.000 0.438 333 L N 2.767 123.902 121.223 -0.146 0.000 3.069 333 L HA 0.385 4.726 4.340 0.002 0.000 0.271 333 L C 1.180 178.040 176.870 -0.017 0.000 1.201 333 L CA -0.023 54.720 54.840 -0.162 0.000 1.015 333 L CB -0.442 41.305 42.059 -0.520 0.000 1.371 333 L HN 0.760 nan 8.230 nan 0.000 0.574 334 T N -5.197 109.350 114.554 -0.013 0.000 2.964 334 T HA 0.265 4.616 4.350 0.002 0.000 0.249 334 T C 0.151 174.860 174.700 0.015 0.000 1.000 334 T CA 0.589 62.705 62.100 0.028 0.000 0.992 334 T CB 0.245 69.128 68.868 0.025 0.000 1.087 334 T HN 0.258 nan 8.240 nan 0.000 0.489 335 D N 1.666 122.051 120.400 -0.024 0.000 7.225 335 D HA -0.060 4.581 4.640 0.002 0.000 0.244 335 D C -1.988 174.289 176.300 -0.039 0.000 2.037 335 D CA 0.370 54.346 54.000 -0.040 0.000 1.877 335 D CB -0.704 40.084 40.800 -0.019 0.000 0.736 335 D HN 0.273 nan 8.370 nan 0.000 0.444 336 P HA 0.182 nan 4.420 nan 0.000 0.217 336 P C 1.392 178.667 177.300 -0.042 0.000 1.154 336 P CA 1.415 64.483 63.100 -0.053 0.000 0.841 336 P CB -0.115 31.540 31.700 -0.075 0.000 0.790 337 G N 0.383 109.155 108.800 -0.047 0.000 2.380 337 G HA2 -0.255 3.706 3.960 0.002 0.000 0.298 337 G HA3 -0.255 3.706 3.960 0.002 0.000 0.298 337 G C 0.220 175.102 174.900 -0.031 0.000 0.989 337 G CA 0.482 45.560 45.100 -0.036 0.000 0.836 337 G HN 0.442 nan 8.290 nan 0.000 0.511 341 K N 0.695 121.022 120.400 -0.121 0.000 2.535 341 K HA 0.925 5.247 4.320 0.002 0.000 0.251 341 K C -1.638 174.865 176.600 -0.162 0.000 0.942 341 K CA -0.585 55.631 56.287 -0.117 0.000 0.798 341 K CB 2.311 34.759 32.500 -0.086 0.000 1.267 341 K HN 0.537 nan 8.250 nan 0.000 0.434 342 A N 1.464 124.187 122.820 -0.161 0.000 2.530 342 A HA 0.667 4.988 4.320 0.002 0.000 0.288 342 A C -0.829 176.664 177.584 -0.152 0.000 1.172 342 A CA -0.512 51.412 52.037 -0.189 0.000 0.733 342 A CB 1.460 20.308 19.000 -0.254 0.000 1.320 342 A HN 0.899 nan 8.150 nan 0.000 0.419 343 V N -0.998 118.842 119.914 -0.123 0.000 2.427 343 V HA 0.326 4.447 4.120 0.002 0.000 0.268 343 V C 0.535 176.472 176.094 -0.262 0.000 1.046 343 V CA -0.122 62.078 62.300 -0.166 0.000 0.970 343 V CB -0.292 31.548 31.823 0.029 0.000 1.001 343 V HN 0.826 nan 8.190 nan 0.000 0.476 344 c N 4.277 122.652 118.600 -0.376 0.000 2.562 344 c HA 0.175 4.746 4.570 0.002 0.000 0.266 344 c C 1.174 175.181 174.090 -0.138 0.000 1.382 344 c CA -0.072 56.129 56.329 -0.214 0.000 1.742 344 c CB -2.197 40.234 42.510 -0.131 0.000 1.812 344 c HN 1.024 nan 8.230 nan 0.000 0.559 345 H N 1.718 120.822 119.070 0.058 0.000 3.237 345 H HA 0.114 4.671 4.556 0.002 0.000 0.270 345 H C -2.431 172.954 175.328 0.096 0.000 0.900 345 H CA -0.965 55.116 56.048 0.055 0.000 1.415 345 H CB -0.604 29.161 29.762 0.004 0.000 1.484 345 H HN 0.216 nan 8.280 nan 0.000 0.540 346 P HA -0.035 nan 4.420 nan 0.000 0.261 346 P C -0.379 177.068 177.300 0.245 0.000 1.203 346 P CA 0.378 63.610 63.100 0.220 0.000 0.767 346 P CB 0.608 32.438 31.700 0.218 0.000 0.785 347 T N 0.493 115.224 114.554 0.296 0.000 2.909 347 T HA 0.785 5.136 4.350 0.002 0.000 0.299 347 T C -0.923 174.035 174.700 0.430 0.000 1.073 347 T CA -1.061 61.232 62.100 0.322 0.000 0.999 347 T CB 2.043 71.167 68.868 0.427 0.000 1.098 347 T HN 0.214 nan 8.240 nan 0.000 0.477 348 A N 1.656 124.655 122.820 0.299 0.000 2.303 348 A HA 0.673 4.994 4.320 0.002 0.000 0.320 348 A C -1.526 176.248 177.584 0.318 0.000 1.192 348 A CA -0.895 51.355 52.037 0.356 0.000 0.821 348 A CB 0.471 19.633 19.000 0.271 0.000 1.188 348 A HN 0.771 nan 8.150 nan 0.000 0.492 349 W N 1.561 122.932 121.300 0.118 0.000 2.318 349 W HA 0.434 5.095 4.660 0.002 0.000 0.315 349 W C -0.397 176.154 176.519 0.053 0.000 1.033 349 W CA -0.420 56.963 57.345 0.063 0.000 1.275 349 W CB 1.550 31.037 29.460 0.045 0.000 1.250 349 W HN 0.735 nan 8.180 nan 0.000 0.421 350 D N 3.904 124.419 120.400 0.192 0.000 2.518 350 D HA 0.301 4.942 4.640 0.002 0.000 0.230 350 D C -0.369 175.969 176.300 0.063 0.000 1.138 350 D CA -0.229 53.858 54.000 0.145 0.000 0.964 350 D CB 0.042 41.007 40.800 0.274 0.000 1.011 350 D HN 0.050 nan 8.370 nan 0.000 0.517 351 L N 1.405 122.613 121.223 -0.026 0.000 2.468 351 L HA 0.445 4.786 4.340 0.002 0.000 0.253 351 L C 1.963 178.890 176.870 0.095 0.000 1.237 351 L CA -0.273 54.548 54.840 -0.031 0.000 0.823 351 L CB -0.048 41.934 42.059 -0.129 0.000 1.124 351 L HN 0.283 nan 8.230 nan 0.000 0.504 352 G N -0.706 108.295 108.800 0.336 0.000 2.518 352 G HA2 0.130 4.091 3.960 0.002 0.000 0.284 352 G HA3 0.130 4.091 3.960 0.002 0.000 0.284 352 G C -0.207 174.679 174.900 -0.024 0.000 1.362 352 G CA -0.519 44.746 45.100 0.276 0.000 1.065 352 G HN 0.622 nan 8.290 nan 0.000 0.561 353 K N -1.150 119.171 120.400 -0.131 0.000 3.653 353 K HA -0.173 4.148 4.320 0.002 0.000 0.275 353 K C 1.136 177.578 176.600 -0.264 0.000 0.962 353 K CA 1.153 57.261 56.287 -0.297 0.000 0.773 353 K CB -2.030 30.033 32.500 -0.728 0.000 1.463 353 K HN 2.129 nan 8.250 nan 0.000 0.450 354 G N 0.767 109.463 108.800 -0.174 0.000 2.380 354 G HA2 -0.331 3.631 3.960 0.002 0.000 0.298 354 G HA3 -0.331 3.631 3.960 0.002 0.000 0.298 354 G C -0.214 174.524 174.900 -0.269 0.000 0.989 354 G CA 0.825 45.874 45.100 -0.085 0.000 0.836 354 G HN 0.615 nan 8.290 nan 0.000 0.511 355 D N -0.409 119.598 120.400 -0.655 0.000 2.440 355 D HA 0.619 5.260 4.640 0.002 0.000 0.239 355 D C -0.282 175.595 176.300 -0.705 0.000 1.084 355 D CA -0.655 53.083 54.000 -0.436 0.000 0.843 355 D CB 0.273 41.026 40.800 -0.078 0.000 1.097 355 D HN 0.047 nan 8.370 nan 0.000 0.531 356 F N 3.086 123.039 119.950 0.005 0.000 2.551 356 F HA 0.628 5.156 4.527 0.002 0.000 0.316 356 F C 0.510 176.315 175.800 0.009 0.000 1.089 356 F CA -0.964 57.062 58.000 0.044 0.000 0.915 356 F CB 1.811 40.848 39.000 0.061 0.000 1.186 356 F HN 0.227 nan 8.300 nan 0.000 0.456 357 R N 1.585 122.133 120.500 0.078 0.000 2.712 357 R HA 0.769 5.110 4.340 0.002 0.000 0.272 357 R C -2.236 174.021 176.300 -0.070 0.000 1.032 357 R CA -0.938 54.967 56.100 -0.325 0.000 0.874 357 R CB 1.850 31.653 30.300 -0.827 0.000 1.256 357 R HN 0.655 nan 8.270 nan 0.000 0.468 358 I N 1.778 122.242 120.570 -0.177 0.000 2.474 358 I HA 0.318 4.489 4.170 0.002 0.000 0.294 358 I C -1.010 175.198 176.117 0.152 0.000 1.005 358 I CA -1.341 60.039 61.300 0.134 0.000 1.113 358 I CB 2.161 40.280 38.000 0.199 0.000 1.289 358 I HN 0.498 nan 8.210 nan 0.000 0.436 359 L N 8.281 129.640 121.223 0.226 0.000 2.277 359 L HA 0.657 4.999 4.340 0.002 0.000 0.284 359 L C -0.993 175.923 176.870 0.076 0.000 1.028 359 L CA 0.072 54.921 54.840 0.014 0.000 0.835 359 L CB 0.822 42.711 42.059 -0.283 0.000 1.215 359 L HN 0.664 nan 8.230 nan 0.000 0.425 360 M N 5.562 125.193 119.600 0.051 0.000 2.255 360 M HA 0.274 4.755 4.480 0.002 0.000 0.275 360 M C -1.295 175.063 176.300 0.097 0.000 1.050 360 M CA -0.396 54.982 55.300 0.131 0.000 0.978 360 M CB 1.790 34.569 32.600 0.299 0.000 1.761 360 M HN 0.639 nan 8.290 nan 0.000 0.479 361 c N 3.292 121.935 118.600 0.071 0.000 3.247 361 c HA 0.222 4.793 4.570 0.002 0.000 0.573 361 c C 0.652 174.801 174.090 0.098 0.000 1.106 361 c CA -0.222 56.137 56.329 0.049 0.000 1.209 361 c CB -1.961 40.553 42.510 0.008 0.000 1.460 361 c HN 0.711 nan 8.230 nan 0.000 0.634 362 T N 2.439 117.085 114.554 0.152 0.000 2.928 362 T HA 0.101 4.452 4.350 0.002 0.000 0.305 362 T C 0.135 174.935 174.700 0.166 0.000 1.035 362 T CA 0.579 62.805 62.100 0.211 0.000 1.145 362 T CB 0.593 69.667 68.868 0.343 0.000 0.963 362 T HN 0.552 nan 8.240 nan 0.000 0.545 363 K N 1.395 121.892 120.400 0.160 0.000 2.267 363 K HA 0.507 4.828 4.320 0.002 0.000 0.246 363 K C -0.645 176.053 176.600 0.163 0.000 0.954 363 K CA -0.888 55.481 56.287 0.137 0.000 0.824 363 K CB 1.740 34.303 32.500 0.106 0.000 1.167 363 K HN 0.304 nan 8.250 nan 0.000 0.431 364 V N 2.990 122.994 119.914 0.151 0.000 2.359 364 V HA 0.119 4.240 4.120 0.002 0.000 0.248 364 V C -0.432 175.729 176.094 0.111 0.000 1.091 364 V CA 0.109 62.507 62.300 0.163 0.000 1.103 364 V CB -0.839 31.072 31.823 0.148 0.000 1.176 364 V HN 0.758 nan 8.190 nan 0.000 0.488 365 T N 3.459 118.091 114.554 0.129 0.000 2.868 365 T HA 0.343 4.694 4.350 0.002 0.000 0.306 365 T C 0.629 175.382 174.700 0.088 0.000 1.224 365 T CA -0.680 61.468 62.100 0.081 0.000 1.012 365 T CB 2.248 71.172 68.868 0.094 0.000 1.221 365 T HN 0.399 nan 8.240 nan 0.000 0.499 366 M N 0.662 120.266 119.600 0.007 0.000 2.229 366 M HA -0.070 4.411 4.480 0.002 0.000 0.264 366 M C 0.870 177.243 176.300 0.123 0.000 1.063 366 M CA 1.969 57.264 55.300 -0.008 0.000 1.114 366 M CB -0.365 32.171 32.600 -0.106 0.000 1.387 366 M HN 0.677 nan 8.290 nan 0.000 0.420 367 D N 0.574 121.028 120.400 0.089 0.000 2.084 367 D HA -0.185 4.456 4.640 0.002 0.000 0.194 367 D C 1.447 177.822 176.300 0.126 0.000 0.990 367 D CA 1.516 55.571 54.000 0.090 0.000 0.826 367 D CB -0.226 40.611 40.800 0.062 0.000 0.971 367 D HN 0.322 nan 8.370 nan 0.000 0.453 368 D N -0.731 119.757 120.400 0.145 0.000 2.310 368 D HA -0.097 4.544 4.640 0.002 0.000 0.212 368 D C 1.504 177.908 176.300 0.173 0.000 0.965 368 D CA 0.194 54.288 54.000 0.155 0.000 0.879 368 D CB -0.166 40.733 40.800 0.164 0.000 0.921 368 D HN 0.180 nan 8.370 nan 0.000 0.510 369 F N 0.942 120.930 119.950 0.063 0.000 2.084 369 F HA -0.104 4.424 4.527 0.002 0.000 0.296 369 F C 2.013 177.863 175.800 0.083 0.000 1.111 369 F CA 1.171 59.219 58.000 0.080 0.000 1.224 369 F CB -0.153 38.890 39.000 0.071 0.000 0.991 369 F HN -0.131 nan 8.300 nan 0.000 0.471 370 L N -0.252 121.060 121.223 0.148 0.000 2.093 370 L HA -0.192 4.149 4.340 0.002 0.000 0.208 370 L C 2.321 179.211 176.870 0.034 0.000 1.085 370 L CA 1.674 56.509 54.840 -0.009 0.000 0.755 370 L CB -1.148 40.940 42.059 0.050 0.000 0.904 370 L HN 0.202 nan 8.230 nan 0.000 0.435 371 T N -0.007 114.588 114.554 0.068 0.000 2.720 371 T HA -0.213 4.138 4.350 0.002 0.000 0.268 371 T C 2.043 176.814 174.700 0.118 0.000 1.037 371 T CA 1.231 63.398 62.100 0.113 0.000 1.144 371 T CB -0.361 68.573 68.868 0.111 0.000 0.864 371 T HN 0.442 nan 8.240 nan 0.000 0.444 372 A N 1.890 124.674 122.820 -0.061 0.000 1.873 372 A HA -0.234 4.088 4.320 0.002 0.000 0.218 372 A C 2.039 179.544 177.584 -0.133 0.000 1.193 372 A CA 2.145 53.975 52.037 -0.344 0.000 0.629 372 A CB -1.134 17.340 19.000 -0.875 0.000 0.826 372 A HN 0.588 nan 8.150 nan 0.000 0.447 373 H N -1.870 117.071 119.070 -0.215 0.000 2.352 373 H HA -0.165 4.392 4.556 0.002 0.000 0.299 373 H C 1.980 177.375 175.328 0.111 0.000 1.097 373 H CA 1.933 57.939 56.048 -0.069 0.000 1.311 373 H CB -0.501 29.073 29.762 -0.314 0.000 1.377 373 H HN 0.849 nan 8.280 nan 0.000 0.504 374 H N 0.379 119.535 119.070 0.143 0.000 2.423 374 H HA -0.064 4.493 4.556 0.002 0.000 0.297 374 H C 1.734 177.199 175.328 0.228 0.000 1.075 374 H CA 1.380 57.512 56.048 0.140 0.000 1.342 374 H CB 0.372 30.201 29.762 0.113 0.000 1.395 374 H HN 0.239 nan 8.280 nan 0.000 0.530 375 E N 0.051 120.460 120.200 0.349 0.000 2.112 375 E HA -0.124 4.228 4.350 0.002 0.000 0.190 375 E C 2.232 179.013 176.600 0.301 0.000 0.979 375 E CA 0.814 57.463 56.400 0.415 0.000 0.814 375 E CB -0.204 29.752 29.700 0.427 0.000 0.762 375 E HN 0.588 nan 8.360 nan 0.000 0.460 376 M N 0.330 120.057 119.600 0.211 0.000 2.254 376 M HA -0.016 4.465 4.480 0.002 0.000 0.265 376 M C 2.004 178.208 176.300 -0.159 0.000 1.066 376 M CA 1.533 56.864 55.300 0.053 0.000 1.123 376 M CB -0.126 32.519 32.600 0.075 0.000 1.388 376 M HN 0.088 nan 8.290 nan 0.000 0.425 377 G N -0.245 108.570 108.800 0.026 0.000 2.440 377 G HA2 -0.267 3.694 3.960 0.002 0.000 0.218 377 G HA3 -0.267 3.694 3.960 0.002 0.000 0.218 377 G C 1.278 176.118 174.900 -0.099 0.000 1.154 377 G CA 1.039 46.112 45.100 -0.046 0.000 0.767 377 G HN 0.517 nan 8.290 nan 0.000 0.552 378 H N 0.263 119.354 119.070 0.034 0.000 2.319 378 H HA -0.063 4.494 4.556 0.002 0.000 0.299 378 H C 2.769 178.180 175.328 0.140 0.000 1.092 378 H CA 1.280 57.449 56.048 0.202 0.000 1.302 378 H CB -0.142 29.726 29.762 0.176 0.000 1.373 378 H HN 0.175 nan 8.280 nan 0.000 0.497 379 I N 1.006 121.653 120.570 0.129 0.000 2.208 379 I HA -0.230 3.941 4.170 0.002 0.000 0.245 379 I C 2.528 178.473 176.117 -0.287 0.000 1.097 379 I CA 1.155 62.425 61.300 -0.050 0.000 1.363 379 I CB -1.001 36.950 38.000 -0.083 0.000 1.051 379 I HN 0.205 nan 8.210 nan 0.000 0.413 380 Q N -0.318 119.263 119.800 -0.366 0.000 2.084 380 Q HA -0.232 4.110 4.340 0.002 0.000 0.202 380 Q C 2.215 178.069 176.000 -0.243 0.000 0.978 380 Q CA 1.462 57.005 55.803 -0.432 0.000 0.844 380 Q CB -0.419 27.942 28.738 -0.628 0.000 0.898 380 Q HN 0.413 nan 8.270 nan 0.000 0.426 381 Y N 1.341 121.457 120.300 -0.306 0.000 2.128 381 Y HA -0.253 4.298 4.550 0.002 0.000 0.284 381 Y C 1.572 177.105 175.900 -0.613 0.000 1.154 381 Y CA 1.779 59.684 58.100 -0.326 0.000 1.149 381 Y CB -0.416 37.821 38.460 -0.372 0.000 0.976 381 Y HN 0.233 nan 8.280 nan 0.000 0.505 382 D N -0.593 119.598 120.400 -0.350 0.000 2.144 382 D HA -0.205 4.436 4.640 0.002 0.000 0.199 382 D C 2.353 178.277 176.300 -0.628 0.000 0.984 382 D CA 1.512 55.160 54.000 -0.586 0.000 0.834 382 D CB -0.392 40.410 40.800 0.003 0.000 0.955 382 D HN 0.384 nan 8.370 nan 0.000 0.465 383 M N 0.267 119.470 119.600 -0.663 0.000 2.254 383 M HA -0.017 4.464 4.480 0.002 0.000 0.265 383 M C 2.170 178.299 176.300 -0.287 0.000 1.066 383 M CA 0.764 55.657 55.300 -0.679 0.000 1.123 383 M CB 0.085 32.225 32.600 -0.766 0.000 1.388 383 M HN -0.030 nan 8.290 nan 0.000 0.425 384 A N 0.241 122.940 122.820 -0.203 0.000 1.873 384 A HA -0.189 4.132 4.320 0.002 0.000 0.215 384 A C 1.787 179.374 177.584 0.005 0.000 1.186 384 A CA 1.467 53.542 52.037 0.062 0.000 0.616 384 A CB -1.032 18.011 19.000 0.073 0.000 0.823 384 A HN 0.727 nan 8.150 nan 0.000 0.442 385 Y N -2.971 117.350 120.300 0.036 0.000 2.466 385 Y HA 0.622 5.173 4.550 0.002 0.000 0.272 385 Y C 1.817 177.736 175.900 0.033 0.000 1.169 385 Y CA 0.141 58.243 58.100 0.003 0.000 1.285 385 Y CB -0.341 38.109 38.460 -0.017 0.000 1.078 385 Y HN 0.173 nan 8.280 nan 0.000 0.523 386 A N 1.119 124.022 122.820 0.139 0.000 2.259 386 A HA 0.133 4.455 4.320 0.002 0.000 0.212 386 A C 2.136 179.827 177.584 0.178 0.000 1.178 386 A CA 1.175 53.342 52.037 0.217 0.000 0.734 386 A CB -0.795 18.378 19.000 0.288 0.000 0.774 386 A HN 0.664 nan 8.150 nan 0.000 0.481 387 A N -1.356 121.551 122.820 0.145 0.000 2.081 387 A HA 0.149 4.470 4.320 0.002 0.000 0.214 387 A C 1.156 178.799 177.584 0.099 0.000 1.158 387 A CA 0.030 52.132 52.037 0.108 0.000 0.724 387 A CB -0.068 18.984 19.000 0.086 0.000 0.826 387 A HN 0.458 nan 8.150 nan 0.000 0.463 388 Q N 0.972 120.838 119.800 0.110 0.000 2.395 388 Q HA 0.178 4.519 4.340 0.002 0.000 0.271 388 Q C -2.372 173.677 176.000 0.080 0.000 1.026 388 Q CA -1.894 53.950 55.803 0.068 0.000 0.900 388 Q CB -0.130 28.625 28.738 0.030 0.000 1.266 388 Q HN 0.275 nan 8.270 nan 0.000 0.430 389 P HA -0.128 nan 4.420 nan 0.000 0.264 389 P C 0.591 177.981 177.300 0.150 0.000 1.183 389 P CA 0.184 63.356 63.100 0.120 0.000 0.763 389 P CB 0.258 32.019 31.700 0.101 0.000 0.807 390 F N 4.134 124.122 119.950 0.063 0.000 2.063 390 F HA -0.305 4.223 4.527 0.002 0.000 0.296 390 F C 1.940 177.758 175.800 0.031 0.000 1.093 390 F CA 1.817 59.846 58.000 0.048 0.000 1.229 390 F CB -0.619 38.413 39.000 0.053 0.000 0.971 390 F HN 0.174 nan 8.300 nan 0.000 0.491 391 L N -0.446 120.934 121.223 0.261 0.000 2.353 391 L HA -0.202 4.139 4.340 0.002 0.000 0.220 391 L C 1.526 178.335 176.870 -0.101 0.000 1.133 391 L CA 0.668 55.575 54.840 0.112 0.000 0.798 391 L CB -0.383 41.815 42.059 0.233 0.000 0.922 391 L HN 0.290 nan 8.230 nan 0.000 0.445 392 L N -1.331 119.817 121.223 -0.125 0.000 2.693 392 L HA 0.125 4.466 4.340 0.002 0.000 0.235 392 L C 1.010 177.670 176.870 -0.349 0.000 1.127 392 L CA 0.420 55.145 54.840 -0.191 0.000 0.914 392 L CB -0.149 41.837 42.059 -0.121 0.000 1.193 392 L HN -0.052 nan 8.230 nan 0.000 0.502 393 R N 1.673 121.953 120.500 -0.365 0.000 2.605 393 R HA 0.179 4.520 4.340 0.002 0.000 0.271 393 R C -0.299 175.570 176.300 -0.719 0.000 1.418 393 R CA 0.127 55.938 56.100 -0.482 0.000 1.102 393 R CB -0.503 29.753 30.300 -0.074 0.000 1.131 393 R HN 0.129 nan 8.270 nan 0.000 0.554 394 N N -0.135 117.832 118.700 -1.221 0.000 3.127 394 N HA 0.132 4.874 4.740 0.002 0.000 0.239 394 N C -0.914 174.152 175.510 -0.740 0.000 1.407 394 N CA -0.414 52.193 53.050 -0.738 0.000 0.891 394 N CB 1.346 39.599 38.487 -0.390 0.000 1.447 394 N HN 0.426 nan 8.380 nan 0.000 0.507 395 G N 0.505 109.099 108.800 -0.343 0.000 2.321 395 G HA2 0.332 4.293 3.960 0.002 0.000 0.237 395 G HA3 0.332 4.293 3.960 0.002 0.000 0.237 395 G C 1.204 175.940 174.900 -0.274 0.000 1.282 395 G CA 0.466 45.427 45.100 -0.233 0.000 0.886 395 G HN 0.737 nan 8.290 nan 0.000 0.528 396 A N 3.025 125.616 122.820 -0.381 0.000 1.915 396 A HA -0.129 4.192 4.320 0.002 0.000 0.220 396 A C 1.473 178.738 177.584 -0.533 0.000 1.198 396 A CA 2.208 53.870 52.037 -0.624 0.000 0.647 396 A CB -0.532 17.747 19.000 -1.202 0.000 0.825 396 A HN 0.988 nan 8.150 nan 0.000 0.456 397 N N -1.181 117.145 118.700 -0.624 0.000 2.831 397 N HA 0.374 5.115 4.740 0.002 0.000 0.276 397 N C -0.823 174.532 175.510 -0.258 0.000 1.416 397 N CA -0.469 52.300 53.050 -0.468 0.000 0.799 397 N CB 0.154 38.142 38.487 -0.832 0.000 1.554 397 N HN 0.490 nan 8.380 nan 0.000 0.541 398 E N -1.448 118.533 120.200 -0.366 0.000 2.442 398 E HA 0.298 4.649 4.350 0.002 0.000 0.262 398 E C 0.721 177.309 176.600 -0.020 0.000 1.004 398 E CA 0.171 56.461 56.400 -0.184 0.000 0.928 398 E CB -0.358 29.212 29.700 -0.217 0.000 0.937 398 E HN 0.925 nan 8.360 nan 0.000 0.446 399 G N 2.497 111.337 108.800 0.067 0.000 2.184 399 G HA2 -0.352 3.609 3.960 0.002 0.000 0.264 399 G HA3 -0.352 3.609 3.960 0.002 0.000 0.264 399 G C 0.313 175.425 174.900 0.353 0.000 0.975 399 G CA 0.333 45.523 45.100 0.150 0.000 0.642 399 G HN 0.542 nan 8.290 nan 0.000 0.536 400 F N 0.353 120.390 119.950 0.145 0.000 2.084 400 F HA 0.080 4.608 4.527 0.002 0.000 0.296 400 F C 2.581 178.569 175.800 0.313 0.000 1.111 400 F CA 1.884 60.003 58.000 0.198 0.000 1.224 400 F CB -0.459 38.626 39.000 0.142 0.000 0.991 400 F HN 0.294 nan 8.300 nan 0.000 0.471 401 H N 0.264 119.614 119.070 0.467 0.000 2.319 401 H HA -0.134 4.423 4.556 0.002 0.000 0.299 401 H C 2.198 177.672 175.328 0.243 0.000 1.092 401 H CA 1.763 58.061 56.048 0.416 0.000 1.302 401 H CB -0.034 29.897 29.762 0.281 0.000 1.373 401 H HN 0.177 nan 8.280 nan 0.000 0.497 402 E N 0.277 120.721 120.200 0.407 0.000 2.110 402 E HA -0.110 4.241 4.350 0.002 0.000 0.193 402 E C 2.307 179.023 176.600 0.194 0.000 0.988 402 E CA 0.855 57.448 56.400 0.321 0.000 0.804 402 E CB -0.227 29.599 29.700 0.210 0.000 0.745 402 E HN 0.474 nan 8.360 nan 0.000 0.458 403 A N 0.785 123.705 122.820 0.167 0.000 1.873 403 A HA -0.120 4.201 4.320 0.002 0.000 0.215 403 A C 2.504 180.116 177.584 0.048 0.000 1.186 403 A CA 1.343 53.454 52.037 0.124 0.000 0.616 403 A CB -0.640 18.475 19.000 0.193 0.000 0.823 403 A HN 0.142 nan 8.150 nan 0.000 0.442 404 V N -0.025 119.873 119.914 -0.027 0.000 2.982 404 V HA -0.159 3.963 4.120 0.002 0.000 0.265 404 V C 2.390 178.349 176.094 -0.225 0.000 1.122 404 V CA 1.695 63.869 62.300 -0.211 0.000 1.143 404 V CB -1.213 30.400 31.823 -0.350 0.000 0.726 404 V HN 0.632 nan 8.190 nan 0.000 0.507 405 G N -1.277 107.325 108.800 -0.329 0.000 2.559 405 G HA2 -0.045 3.916 3.960 0.002 0.000 0.209 405 G HA3 -0.045 3.916 3.960 0.002 0.000 0.209 405 G C 1.430 176.265 174.900 -0.110 0.000 1.151 405 G CA 0.015 44.785 45.100 -0.549 0.000 0.824 405 G HN 0.384 nan 8.290 nan 0.000 0.543 406 E N 0.493 120.751 120.200 0.097 0.000 2.204 406 E HA -0.011 4.340 4.350 0.002 0.000 0.194 406 E C 2.243 178.832 176.600 -0.019 0.000 0.989 406 E CA 0.154 56.655 56.400 0.169 0.000 0.824 406 E CB -0.049 29.714 29.700 0.105 0.000 0.756 406 E HN 0.513 nan 8.360 nan 0.000 0.477 407 I N 0.268 120.805 120.570 -0.055 0.000 2.567 407 I HA -0.240 3.931 4.170 0.002 0.000 0.257 407 I C 1.637 177.733 176.117 -0.036 0.000 1.184 407 I CA 0.760 62.014 61.300 -0.076 0.000 1.451 407 I CB 0.096 38.075 38.000 -0.035 0.000 1.089 407 I HN 0.037 nan 8.210 nan 0.000 0.441 408 M N -0.159 119.440 119.600 -0.002 0.000 2.216 408 M HA -0.070 4.411 4.480 0.002 0.000 0.264 408 M C 2.444 178.657 176.300 -0.146 0.000 1.080 408 M CA 1.057 56.360 55.300 0.005 0.000 1.153 408 M CB -1.313 31.365 32.600 0.129 0.000 1.356 408 M HN 0.124 nan 8.290 nan 0.000 0.432 409 S N 1.931 117.588 115.700 -0.071 0.000 2.368 409 S HA -0.166 4.305 4.470 0.002 0.000 0.226 409 S C 2.087 176.613 174.600 -0.124 0.000 1.044 409 S CA 1.479 59.613 58.200 -0.110 0.000 1.062 409 S CB -0.784 62.407 63.200 -0.014 0.000 0.931 409 S HN 0.385 nan 8.310 nan 0.000 0.440 410 L N 1.258 122.443 121.223 -0.062 0.000 1.956 410 L HA -0.185 4.156 4.340 0.002 0.000 0.216 410 L C 2.619 179.470 176.870 -0.031 0.000 1.073 410 L CA 1.581 56.432 54.840 0.018 0.000 0.762 410 L CB -1.016 41.054 42.059 0.018 0.000 0.889 410 L HN 0.241 nan 8.230 nan 0.000 0.433 411 S N -0.261 115.378 115.700 -0.102 0.000 2.419 411 S HA -0.155 4.316 4.470 0.002 0.000 0.235 411 S C 1.882 176.234 174.600 -0.414 0.000 1.019 411 S CA 1.277 59.383 58.200 -0.157 0.000 0.982 411 S CB -0.325 62.843 63.200 -0.052 0.000 0.789 411 S HN 0.527 nan 8.310 nan 0.000 0.490 412 A N -0.080 122.378 122.820 -0.604 0.000 2.267 412 A HA 0.662 4.983 4.320 0.002 0.000 0.213 412 A C 1.602 178.970 177.584 -0.361 0.000 1.192 412 A CA 0.545 52.022 52.037 -0.934 0.000 0.851 412 A CB -0.048 18.145 19.000 -1.346 0.000 0.881 412 A HN 0.416 nan 8.150 nan 0.000 0.494 413 A N -0.761 121.943 122.820 -0.193 0.000 2.535 413 A HA 0.424 4.745 4.320 0.002 0.000 0.273 413 A C 0.861 178.333 177.584 -0.188 0.000 1.267 413 A CA 0.498 52.480 52.037 -0.091 0.000 0.940 413 A CB -0.401 18.616 19.000 0.028 0.000 1.101 413 A HN 0.254 nan 8.150 nan 0.000 0.521 414 T N -0.053 114.411 114.554 -0.151 0.000 2.882 414 T HA 0.396 4.747 4.350 0.002 0.000 0.287 414 T C -1.593 173.009 174.700 -0.163 0.000 0.992 414 T CA -1.739 60.243 62.100 -0.198 0.000 1.076 414 T CB 1.004 69.835 68.868 -0.061 0.000 0.961 414 T HN -0.010 nan 8.240 nan 0.000 0.490 415 P HA -0.160 nan 4.420 nan 0.000 0.217 415 P C 1.438 178.704 177.300 -0.058 0.000 1.158 415 P CA 1.391 64.416 63.100 -0.125 0.000 0.887 415 P CB 0.091 31.758 31.700 -0.056 0.000 0.792 416 K N -1.537 118.853 120.400 -0.017 0.000 2.089 416 K HA -0.281 4.040 4.320 0.002 0.000 0.210 416 K C 2.171 178.785 176.600 0.023 0.000 1.048 416 K CA 1.807 58.104 56.287 0.016 0.000 0.926 416 K CB -0.468 32.063 32.500 0.052 0.000 0.714 416 K HN 0.160 nan 8.250 nan 0.000 0.448 417 H N -0.125 118.910 119.070 -0.059 0.000 2.268 417 H HA -0.035 4.522 4.556 0.002 0.000 0.304 417 H C 1.856 177.142 175.328 -0.071 0.000 1.064 417 H CA 1.682 57.698 56.048 -0.052 0.000 1.316 417 H CB -0.164 29.546 29.762 -0.087 0.000 1.386 417 H HN 0.037 nan 8.280 nan 0.000 0.496 418 L N 1.246 122.436 121.223 -0.056 0.000 2.034 418 L HA -0.253 4.088 4.340 0.002 0.000 0.217 418 L C 2.263 179.014 176.870 -0.197 0.000 1.077 418 L CA 1.844 56.574 54.840 -0.183 0.000 0.769 418 L CB -1.203 40.710 42.059 -0.244 0.000 0.890 418 L HN 0.388 nan 8.230 nan 0.000 0.435 419 K N -0.268 120.043 120.400 -0.149 0.000 2.001 419 K HA -0.212 4.109 4.320 0.002 0.000 0.214 419 K C 2.223 178.760 176.600 -0.105 0.000 1.050 419 K CA 2.179 58.399 56.287 -0.112 0.000 0.934 419 K CB -0.230 32.236 32.500 -0.057 0.000 0.718 419 K HN 0.480 nan 8.250 nan 0.000 0.443 420 S N 1.276 116.909 115.700 -0.113 0.000 2.368 420 S HA -0.118 4.353 4.470 0.002 0.000 0.224 420 S C 1.988 176.524 174.600 -0.107 0.000 1.029 420 S CA 0.821 58.964 58.200 -0.095 0.000 0.988 420 S CB -0.472 62.677 63.200 -0.085 0.000 0.838 420 S HN 0.341 nan 8.310 nan 0.000 0.462 421 I N 1.908 122.365 120.570 -0.189 0.000 3.010 421 I HA 0.009 4.180 4.170 0.002 0.000 0.271 421 I C 1.465 177.574 176.117 -0.014 0.000 1.293 421 I CA 0.934 62.166 61.300 -0.114 0.000 1.452 421 I CB -1.027 36.863 38.000 -0.183 0.000 1.082 421 I HN 0.645 nan 8.210 nan 0.000 0.484 422 G N 1.103 109.864 108.800 -0.064 0.000 2.176 422 G HA2 -0.296 3.665 3.960 0.002 0.000 0.252 422 G HA3 -0.296 3.665 3.960 0.002 0.000 0.252 422 G C 0.594 175.427 174.900 -0.110 0.000 1.024 422 G CA 0.383 45.453 45.100 -0.051 0.000 0.755 422 G HN 0.473 nan 8.290 nan 0.000 0.507 423 L N -0.984 120.118 121.223 -0.203 0.000 2.640 423 L HA 0.669 5.010 4.340 0.002 0.000 0.230 423 L C 0.371 177.042 176.870 -0.332 0.000 1.123 423 L CA -0.049 54.583 54.840 -0.346 0.000 0.900 423 L CB 0.567 42.329 42.059 -0.495 0.000 1.146 423 L HN 0.343 nan 8.230 nan 0.000 0.484 424 L N -0.659 120.404 121.223 -0.266 0.000 2.710 424 L HA 0.289 4.630 4.340 0.002 0.000 0.262 424 L C -0.283 176.474 176.870 -0.188 0.000 0.940 424 L CA -0.313 54.350 54.840 -0.295 0.000 0.944 424 L CB 1.705 43.521 42.059 -0.405 0.000 1.348 424 L HN -0.002 nan 8.230 nan 0.000 0.425 425 S N 5.223 120.846 115.700 -0.127 0.000 2.564 425 S HA 0.449 4.920 4.470 0.002 0.000 0.278 425 S C -1.551 173.053 174.600 0.006 0.000 1.333 425 S CA -0.425 57.746 58.200 -0.048 0.000 1.048 425 S CB 0.779 63.965 63.200 -0.023 0.000 0.900 425 S HN 0.693 nan 8.310 nan 0.000 0.505 426 P HA -0.115 nan 4.420 nan 0.000 0.226 426 P C 0.609 177.943 177.300 0.058 0.000 1.146 426 P CA 1.070 64.188 63.100 0.030 0.000 0.773 426 P CB -0.152 31.553 31.700 0.008 0.000 0.772 427 D N -1.187 119.250 120.400 0.061 0.000 2.315 427 D HA -0.138 4.503 4.640 0.002 0.000 0.211 427 D C 0.271 176.634 176.300 0.105 0.000 0.977 427 D CA 0.305 54.344 54.000 0.065 0.000 0.894 427 D CB -0.638 40.198 40.800 0.060 0.000 0.910 427 D HN 0.152 nan 8.370 nan 0.000 0.490 428 F N 1.594 121.518 119.950 -0.043 0.000 2.519 428 F HA 0.031 4.559 4.527 0.002 0.000 0.375 428 F C 0.204 175.979 175.800 -0.041 0.000 1.084 428 F CA -1.014 56.959 58.000 -0.046 0.000 1.147 428 F CB 0.321 39.286 39.000 -0.058 0.000 1.088 428 F HN -0.055 nan 8.300 nan 0.000 0.555 429 Q N 3.619 123.185 119.800 -0.390 0.000 2.262 429 Q HA 0.030 4.371 4.340 0.002 0.000 0.272 429 Q C -0.327 175.435 176.000 -0.396 0.000 1.076 429 Q CA 0.264 55.867 55.803 -0.333 0.000 0.905 429 Q CB 0.516 29.069 28.738 -0.308 0.000 1.182 429 Q HN 0.672 nan 8.270 nan 0.000 0.390 430 E N 2.717 122.806 120.200 -0.184 0.000 2.542 430 E HA 0.010 4.362 4.350 0.002 0.000 0.224 430 E C -0.730 175.819 176.600 -0.084 0.000 1.110 430 E CA -0.383 55.956 56.400 -0.102 0.000 1.350 430 E CB 0.315 30.010 29.700 -0.009 0.000 1.302 430 E HN 0.803 nan 8.360 nan 0.000 0.435 431 D N -0.106 120.217 120.400 -0.129 0.000 2.369 431 D HA -0.131 4.510 4.640 0.002 0.000 0.241 431 D C 1.010 177.251 176.300 -0.098 0.000 1.271 431 D CA -0.195 53.738 54.000 -0.111 0.000 0.942 431 D CB 0.359 41.073 40.800 -0.144 0.000 1.129 431 D HN 0.121 nan 8.370 nan 0.000 0.476 432 N N -0.325 118.316 118.700 -0.098 0.000 2.585 432 N HA -0.197 4.544 4.740 0.002 0.000 0.188 432 N C 1.065 176.465 175.510 -0.183 0.000 1.102 432 N CA 0.609 53.604 53.050 -0.092 0.000 0.920 432 N CB -0.081 38.371 38.487 -0.058 0.000 0.963 432 N HN 0.594 nan 8.380 nan 0.000 0.447 433 E N 1.077 121.111 120.200 -0.277 0.000 2.030 433 E HA -0.092 4.259 4.350 0.002 0.000 0.189 433 E C 1.834 178.316 176.600 -0.198 0.000 0.974 433 E CA 1.756 57.858 56.400 -0.496 0.000 0.807 433 E CB -0.003 29.346 29.700 -0.585 0.000 0.771 433 E HN 0.512 nan 8.360 nan 0.000 0.451 434 T N -0.832 113.663 114.554 -0.099 0.000 2.849 434 T HA -0.210 4.141 4.350 0.002 0.000 0.270 434 T C 1.670 176.432 174.700 0.103 0.000 1.066 434 T CA 1.358 63.481 62.100 0.039 0.000 1.130 434 T CB -0.249 68.636 68.868 0.029 0.000 0.864 434 T HN 0.086 nan 8.240 nan 0.000 0.481 435 E N 1.324 121.550 120.200 0.044 0.000 2.045 435 E HA -0.159 4.192 4.350 0.002 0.000 0.212 435 E C 1.829 178.431 176.600 0.005 0.000 1.039 435 E CA 1.749 58.185 56.400 0.060 0.000 0.860 435 E CB -0.578 29.125 29.700 0.006 0.000 0.776 435 E HN 0.576 nan 8.360 nan 0.000 0.467 436 I N 0.598 121.118 120.570 -0.083 0.000 2.233 436 I HA -0.189 3.982 4.170 0.002 0.000 0.243 436 I C 2.125 178.217 176.117 -0.042 0.000 1.093 436 I CA 0.969 62.154 61.300 -0.192 0.000 1.380 436 I CB -0.593 37.090 38.000 -0.529 0.000 1.067 436 I HN 0.193 nan 8.210 nan 0.000 0.413 437 N N 0.373 119.137 118.700 0.106 0.000 2.165 437 N HA -0.336 4.405 4.740 0.002 0.000 0.200 437 N C 1.769 177.451 175.510 0.287 0.000 0.991 437 N CA 2.301 55.489 53.050 0.229 0.000 0.904 437 N CB -0.403 38.233 38.487 0.250 0.000 1.068 437 N HN 0.409 nan 8.380 nan 0.000 0.530 438 F N -0.090 119.910 119.950 0.085 0.000 2.147 438 F HA 0.153 4.681 4.527 0.002 0.000 0.291 438 F C 2.030 177.858 175.800 0.047 0.000 1.093 438 F CA 0.417 58.452 58.000 0.058 0.000 1.263 438 F CB -0.880 38.146 39.000 0.044 0.000 1.036 438 F HN 0.055 nan 8.300 nan 0.000 0.481 439 L N 0.538 121.572 121.223 -0.314 0.000 2.187 439 L HA -0.187 4.155 4.340 0.002 0.000 0.213 439 L C 2.282 179.111 176.870 -0.068 0.000 1.100 439 L CA 1.217 55.817 54.840 -0.399 0.000 0.765 439 L CB -0.859 40.980 42.059 -0.367 0.000 0.904 439 L HN 0.375 nan 8.230 nan 0.000 0.437 440 L N -0.413 120.799 121.223 -0.019 0.000 1.988 440 L HA -0.247 4.094 4.340 0.002 0.000 0.207 440 L C 2.473 179.428 176.870 0.141 0.000 1.071 440 L CA 2.009 56.900 54.840 0.085 0.000 0.744 440 L CB -0.759 41.348 42.059 0.080 0.000 0.893 440 L HN 0.374 nan 8.230 nan 0.000 0.433 441 K N -0.555 119.917 120.400 0.120 0.000 2.089 441 K HA -0.262 4.059 4.320 0.002 0.000 0.210 441 K C 2.018 178.607 176.600 -0.018 0.000 1.048 441 K CA 1.791 58.064 56.287 -0.023 0.000 0.926 441 K CB 0.018 32.326 32.500 -0.321 0.000 0.714 441 K HN 0.420 nan 8.250 nan 0.000 0.448 442 Q N -0.325 119.427 119.800 -0.080 0.000 2.096 442 Q HA -0.143 4.198 4.340 0.002 0.000 0.204 442 Q C 2.097 178.201 176.000 0.173 0.000 0.982 442 Q CA 1.694 57.498 55.803 0.001 0.000 0.850 442 Q CB -0.285 28.388 28.738 -0.108 0.000 0.901 442 Q HN 0.465 nan 8.270 nan 0.000 0.422 443 A N 0.327 123.272 122.820 0.208 0.000 1.968 443 A HA -0.105 4.217 4.320 0.002 0.000 0.217 443 A C 2.117 179.697 177.584 -0.006 0.000 1.169 443 A CA 0.678 52.674 52.037 -0.068 0.000 0.638 443 A CB -0.402 18.492 19.000 -0.176 0.000 0.812 443 A HN 0.239 nan 8.150 nan 0.000 0.446 444 L N 0.108 121.413 121.223 0.138 0.000 2.013 444 L HA -0.186 4.155 4.340 0.002 0.000 0.212 444 L C 2.736 179.686 176.870 0.134 0.000 1.073 444 L CA 2.615 57.603 54.840 0.246 0.000 0.753 444 L CB -1.195 41.069 42.059 0.341 0.000 0.890 444 L HN 0.433 nan 8.230 nan 0.000 0.432 445 T N -1.205 113.389 114.554 0.067 0.000 2.770 445 T HA -0.019 4.332 4.350 0.002 0.000 0.263 445 T C 1.946 176.627 174.700 -0.031 0.000 1.039 445 T CA 1.464 63.553 62.100 -0.018 0.000 1.142 445 T CB -0.041 68.760 68.868 -0.113 0.000 0.868 445 T HN 0.164 nan 8.240 nan 0.000 0.435 446 I N 0.430 120.988 120.570 -0.019 0.000 2.522 446 I HA -0.007 4.164 4.170 0.002 0.000 0.240 446 I C 2.404 178.460 176.117 -0.101 0.000 1.078 446 I CA 0.435 61.730 61.300 -0.010 0.000 1.422 446 I CB -0.211 37.861 38.000 0.121 0.000 1.188 446 I HN -0.019 nan 8.210 nan 0.000 0.442 447 V N 1.464 121.235 119.914 -0.238 0.000 2.490 447 V HA -0.194 3.927 4.120 0.002 0.000 0.250 447 V C 2.559 178.528 176.094 -0.209 0.000 1.061 447 V CA 1.959 64.097 62.300 -0.270 0.000 1.064 447 V CB -1.703 29.892 31.823 -0.380 0.000 0.670 447 V HN 0.615 nan 8.190 nan 0.000 0.461 448 G N -0.378 108.267 108.800 -0.258 0.000 2.553 448 G HA2 -0.380 3.581 3.960 0.002 0.000 0.218 448 G HA3 -0.380 3.581 3.960 0.002 0.000 0.218 448 G C 1.765 176.375 174.900 -0.483 0.000 1.195 448 G CA 1.821 46.566 45.100 -0.592 0.000 0.779 448 G HN 0.452 nan 8.290 nan 0.000 0.577 449 T N -0.192 114.263 114.554 -0.164 0.000 3.023 449 T HA 0.061 4.412 4.350 0.002 0.000 0.266 449 T C 2.481 177.183 174.700 0.004 0.000 1.093 449 T CA 0.759 62.828 62.100 -0.052 0.000 1.129 449 T CB -0.212 68.754 68.868 0.163 0.000 0.899 449 T HN 0.039 nan 8.240 nan 0.000 0.491 450 L N 1.833 123.028 121.223 -0.048 0.000 1.978 450 L HA -0.035 4.306 4.340 0.002 0.000 0.218 450 L C -0.641 176.289 176.870 0.101 0.000 1.075 450 L CA 2.322 57.179 54.840 0.029 0.000 0.767 450 L CB -1.350 40.686 42.059 -0.039 0.000 0.890 450 L HN 0.280 nan 8.230 nan 0.000 0.434 451 P HA -0.150 nan 4.420 nan 0.000 0.218 451 P C 1.727 178.987 177.300 -0.068 0.000 1.152 451 P CA 0.905 63.974 63.100 -0.051 0.000 0.826 451 P CB -0.123 31.363 31.700 -0.357 0.000 0.790 452 F N 0.900 120.760 119.950 -0.150 0.000 2.063 452 F HA -0.272 4.256 4.527 0.002 0.000 0.298 452 F C 2.019 177.790 175.800 -0.049 0.000 1.109 452 F CA 2.217 60.160 58.000 -0.096 0.000 1.212 452 F CB -1.208 37.744 39.000 -0.079 0.000 0.973 452 F HN -0.130 nan 8.300 nan 0.000 0.480 453 T N -0.441 114.260 114.554 0.246 0.000 2.708 453 T HA -0.287 4.064 4.350 0.002 0.000 0.266 453 T C 1.661 176.350 174.700 -0.019 0.000 1.037 453 T CA 1.732 63.977 62.100 0.241 0.000 1.146 453 T CB -0.932 67.990 68.868 0.089 0.000 0.865 453 T HN 0.585 nan 8.240 nan 0.000 0.435 454 Y N 1.074 121.211 120.300 -0.272 0.000 2.151 454 Y HA -0.210 4.342 4.550 0.002 0.000 0.284 454 Y C 2.512 178.130 175.900 -0.471 0.000 1.166 454 Y CA 1.550 59.331 58.100 -0.530 0.000 1.163 454 Y CB -0.203 37.717 38.460 -0.900 0.000 0.974 454 Y HN 0.117 nan 8.280 nan 0.000 0.511 455 M N -0.077 119.132 119.600 -0.652 0.000 2.099 455 M HA -0.184 4.298 4.480 0.002 0.000 0.262 455 M C 2.215 178.181 176.300 -0.557 0.000 1.067 455 M CA 1.472 56.344 55.300 -0.713 0.000 1.124 455 M CB -0.530 31.692 32.600 -0.630 0.000 1.353 455 M HN 0.509 nan 8.290 nan 0.000 0.410 456 L N 0.931 121.861 121.223 -0.490 0.000 2.021 456 L HA -0.261 4.080 4.340 0.002 0.000 0.215 456 L C 2.089 178.897 176.870 -0.103 0.000 1.074 456 L CA 2.128 56.820 54.840 -0.247 0.000 0.760 456 L CB -1.050 40.859 42.059 -0.250 0.000 0.889 456 L HN 0.427 nan 8.230 nan 0.000 0.433 457 E N -0.392 119.643 120.200 -0.275 0.000 2.170 457 E HA -0.202 4.149 4.350 0.002 0.000 0.191 457 E C 2.006 178.122 176.600 -0.807 0.000 0.981 457 E CA 0.474 56.526 56.400 -0.579 0.000 0.830 457 E CB 0.028 29.208 29.700 -0.868 0.000 0.775 457 E HN 0.315 nan 8.360 nan 0.000 0.470 458 K N 0.489 120.461 120.400 -0.712 0.000 2.218 458 K HA -0.194 4.127 4.320 0.002 0.000 0.205 458 K C 1.621 178.123 176.600 -0.163 0.000 1.046 458 K CA 1.110 57.124 56.287 -0.455 0.000 0.933 458 K CB -0.352 31.674 32.500 -0.789 0.000 0.728 458 K HN 0.149 nan 8.250 nan 0.000 0.454 459 W N 0.748 121.849 121.300 -0.331 0.000 2.441 459 W HA -0.013 4.648 4.660 0.002 0.000 0.302 459 W C 1.678 178.041 176.519 -0.260 0.000 1.191 459 W CA 1.338 58.553 57.345 -0.218 0.000 1.327 459 W CB -0.010 29.394 29.460 -0.094 0.000 1.128 459 W HN -0.074 nan 8.180 nan 0.000 0.522 460 R N -0.955 119.431 120.500 -0.189 0.000 2.092 460 R HA -0.174 4.167 4.340 0.002 0.000 0.231 460 R C 2.036 178.044 176.300 -0.486 0.000 1.119 460 R CA 1.655 57.395 56.100 -0.601 0.000 0.970 460 R CB -1.060 29.111 30.300 -0.214 0.000 0.864 460 R HN 0.159 nan 8.270 nan 0.000 0.440 461 W N 1.227 122.415 121.300 -0.187 0.000 2.333 461 W HA -0.098 4.563 4.660 0.002 0.000 0.316 461 W C 2.125 178.556 176.519 -0.148 0.000 1.215 461 W CA 0.868 58.186 57.345 -0.045 0.000 1.278 461 W CB -0.873 28.602 29.460 0.025 0.000 1.154 461 W HN 0.075 nan 8.180 nan 0.000 0.486 462 M N -0.624 118.977 119.600 0.001 0.000 2.213 462 M HA -0.191 4.290 4.480 0.002 0.000 0.263 462 M C 1.863 178.013 176.300 -0.250 0.000 1.062 462 M CA 1.201 56.434 55.300 -0.110 0.000 1.105 462 M CB -0.751 31.764 32.600 -0.140 0.000 1.385 462 M HN -0.261 nan 8.290 nan 0.000 0.417 463 V N -0.227 119.346 119.914 -0.568 0.000 2.244 463 V HA -0.238 3.883 4.120 0.002 0.000 0.244 463 V C 1.970 177.926 176.094 -0.230 0.000 1.042 463 V CA 1.939 63.857 62.300 -0.636 0.000 1.006 463 V CB -0.755 30.294 31.823 -1.290 0.000 0.641 463 V HN 0.381 nan 8.190 nan 0.000 0.446 464 F N 0.094 119.990 119.950 -0.090 0.000 2.307 464 F HA -0.189 4.340 4.527 0.002 0.000 0.301 464 F C 2.431 178.223 175.800 -0.013 0.000 1.076 464 F CA 1.374 59.357 58.000 -0.027 0.000 1.383 464 F CB -0.231 38.768 39.000 -0.002 0.000 1.055 464 F HN 0.083 nan 8.300 nan 0.000 0.526 465 K N 0.299 120.782 120.400 0.139 0.000 2.296 465 K HA 0.064 4.385 4.320 0.002 0.000 0.200 465 K C 1.259 177.899 176.600 0.066 0.000 1.048 465 K CA 0.783 57.123 56.287 0.088 0.000 0.966 465 K CB -0.071 32.464 32.500 0.058 0.000 0.754 465 K HN 0.298 nan 8.250 nan 0.000 0.466 466 G N 1.326 110.161 108.800 0.059 0.000 2.203 466 G HA2 -0.226 3.735 3.960 0.002 0.000 0.231 466 G HA3 -0.226 3.735 3.960 0.002 0.000 0.231 466 G C 0.174 175.105 174.900 0.052 0.000 1.058 466 G CA 0.429 45.568 45.100 0.066 0.000 0.781 466 G HN 0.456 nan 8.290 nan 0.000 0.496 467 E N -0.835 119.383 120.200 0.029 0.000 2.075 467 E HA 0.170 4.521 4.350 0.002 0.000 0.190 467 E C 1.182 177.813 176.600 0.051 0.000 0.969 467 E CA 0.420 56.839 56.400 0.031 0.000 0.815 467 E CB 0.375 30.083 29.700 0.013 0.000 0.776 467 E HN 0.657 nan 8.360 nan 0.000 0.457 468 I N 3.634 124.227 120.570 0.038 0.000 2.342 468 I HA 0.180 4.351 4.170 0.002 0.000 0.291 468 I C -2.225 174.050 176.117 0.264 0.000 1.010 468 I CA -2.299 59.079 61.300 0.129 0.000 1.308 468 I CB 0.802 38.834 38.000 0.053 0.000 1.400 468 I HN -0.125 nan 8.210 nan 0.000 0.488 469 P HA 0.236 nan 4.420 nan 0.000 0.276 469 P C -0.003 177.323 177.300 0.044 0.000 1.261 469 P CA -0.612 62.571 63.100 0.137 0.000 0.800 469 P CB 0.779 32.523 31.700 0.074 0.000 1.066 470 K N 0.284 120.542 120.400 -0.237 0.000 2.209 470 K HA -0.119 4.202 4.320 0.002 0.000 0.204 470 K C 1.021 177.439 176.600 -0.302 0.000 1.048 470 K CA 1.579 57.484 56.287 -0.636 0.000 0.940 470 K CB -0.388 31.802 32.500 -0.517 0.000 0.729 470 K HN 0.587 nan 8.250 nan 0.000 0.451 471 D N 0.012 120.362 120.400 -0.083 0.000 2.319 471 D HA -0.078 4.563 4.640 0.002 0.000 0.230 471 D C 0.920 177.286 176.300 0.111 0.000 1.094 471 D CA 0.388 54.395 54.000 0.011 0.000 0.856 471 D CB 0.366 41.174 40.800 0.014 0.000 0.915 471 D HN 0.239 nan 8.370 nan 0.000 0.517 472 Q N -1.546 118.370 119.800 0.194 0.000 2.089 472 Q HA 0.085 4.426 4.340 0.002 0.000 0.227 472 Q C 0.716 176.987 176.000 0.452 0.000 0.774 472 Q CA -0.581 55.391 55.803 0.282 0.000 0.960 472 Q CB 0.283 29.167 28.738 0.243 0.000 1.179 472 Q HN 0.050 nan 8.270 nan 0.000 0.460 473 W N 1.263 122.704 121.300 0.236 0.000 2.277 473 W HA -0.286 4.375 4.660 0.002 0.000 0.327 473 W C 1.805 178.601 176.519 0.462 0.000 1.284 473 W CA 1.522 59.092 57.345 0.375 0.000 1.277 473 W CB -0.389 29.273 29.460 0.335 0.000 1.141 473 W HN 0.251 nan 8.180 nan 0.000 0.482 474 M N -0.660 119.279 119.600 0.565 0.000 2.160 474 M HA -0.070 4.411 4.480 0.002 0.000 0.264 474 M C 2.007 178.633 176.300 0.544 0.000 1.073 474 M CA 1.465 57.041 55.300 0.460 0.000 1.142 474 M CB -1.803 31.047 32.600 0.418 0.000 1.358 474 M HN 0.035 nan 8.290 nan 0.000 0.422 475 K N 0.356 121.027 120.400 0.452 0.000 2.020 475 K HA -0.196 4.125 4.320 0.002 0.000 0.212 475 K C 1.975 178.804 176.600 0.381 0.000 1.050 475 K CA 1.379 57.899 56.287 0.390 0.000 0.929 475 K CB 0.033 32.706 32.500 0.289 0.000 0.714 475 K HN 0.037 nan 8.250 nan 0.000 0.443 476 K N 0.121 120.753 120.400 0.388 0.000 2.283 476 K HA -0.158 4.163 4.320 0.002 0.000 0.202 476 K C 1.764 178.589 176.600 0.375 0.000 1.048 476 K CA 0.894 57.392 56.287 0.352 0.000 0.948 476 K CB -0.183 32.517 32.500 0.333 0.000 0.742 476 K HN 0.532 nan 8.250 nan 0.000 0.458 477 W N -0.050 121.348 121.300 0.162 0.000 2.408 477 W HA -0.183 4.478 4.660 0.002 0.000 0.311 477 W C 1.175 177.533 176.519 -0.269 0.000 1.190 477 W CA 0.766 57.950 57.345 -0.269 0.000 1.321 477 W CB -0.699 28.296 29.460 -0.775 0.000 1.143 477 W HN 0.025 nan 8.180 nan 0.000 0.501 478 W N 1.187 122.546 121.300 0.098 0.000 2.418 478 W HA -0.057 4.604 4.660 0.002 0.000 0.292 478 W C 2.522 179.030 176.519 -0.018 0.000 1.213 478 W CA 1.232 58.564 57.345 -0.022 0.000 1.283 478 W CB -0.759 28.799 29.460 0.164 0.000 1.119 478 W HN -0.053 nan 8.180 nan 0.000 0.542 479 E N 0.189 120.550 120.200 0.268 0.000 2.086 479 E HA -0.321 4.030 4.350 0.002 0.000 0.205 479 E C 1.993 178.658 176.600 0.108 0.000 1.027 479 E CA 2.117 58.630 56.400 0.188 0.000 0.830 479 E CB -0.483 29.326 29.700 0.181 0.000 0.751 479 E HN 0.347 nan 8.360 nan 0.000 0.456 480 M N 0.116 119.723 119.600 0.010 0.000 2.175 480 M HA -0.136 4.345 4.480 0.002 0.000 0.264 480 M C 2.238 178.429 176.300 -0.182 0.000 1.063 480 M CA 1.022 56.270 55.300 -0.087 0.000 1.119 480 M CB 0.035 32.541 32.600 -0.158 0.000 1.377 480 M HN -0.098 nan 8.290 nan 0.000 0.415 481 K N 0.436 120.634 120.400 -0.338 0.000 2.009 481 K HA -0.148 4.173 4.320 0.002 0.000 0.210 481 K C 2.031 178.631 176.600 -0.001 0.000 1.049 481 K CA 1.691 57.797 56.287 -0.301 0.000 0.929 481 K CB -0.185 32.098 32.500 -0.363 0.000 0.714 481 K HN 0.345 nan 8.250 nan 0.000 0.440 482 R N 0.539 121.116 120.500 0.128 0.000 2.073 482 R HA -0.094 4.247 4.340 0.002 0.000 0.234 482 R C 2.365 178.875 176.300 0.351 0.000 1.134 482 R CA 1.109 57.330 56.100 0.202 0.000 0.952 482 R CB -0.126 30.318 30.300 0.241 0.000 0.850 482 R HN 0.188 nan 8.270 nan 0.000 0.433 483 E N 0.634 121.006 120.200 0.286 0.000 2.017 483 E HA -0.154 4.197 4.350 0.002 0.000 0.193 483 E C 2.066 178.930 176.600 0.440 0.000 0.997 483 E CA 1.462 58.058 56.400 0.327 0.000 0.804 483 E CB -0.025 29.788 29.700 0.188 0.000 0.757 483 E HN 0.293 nan 8.360 nan 0.000 0.448 484 I N 0.011 120.769 120.570 0.313 0.000 2.429 484 I HA -0.148 4.023 4.170 0.002 0.000 0.247 484 I C 2.205 178.599 176.117 0.462 0.000 1.099 484 I CA 0.457 61.982 61.300 0.375 0.000 1.422 484 I CB 0.110 38.227 38.000 0.196 0.000 1.112 484 I HN -0.103 nan 8.210 nan 0.000 0.430 485 V N 0.135 120.182 119.914 0.220 0.000 3.174 485 V HA 0.312 4.433 4.120 0.002 0.000 0.254 485 V C 1.443 177.454 176.094 -0.139 0.000 1.120 485 V CA 0.588 62.967 62.300 0.132 0.000 1.114 485 V CB -0.690 31.145 31.823 0.020 0.000 0.756 485 V HN 0.611 nan 8.190 nan 0.000 0.467 486 G N 0.984 109.504 108.800 -0.466 0.000 2.248 486 G HA2 -0.173 3.788 3.960 0.002 0.000 0.263 486 G HA3 -0.173 3.788 3.960 0.002 0.000 0.263 486 G C -0.236 174.336 174.900 -0.546 0.000 1.082 486 G CA 0.241 44.400 45.100 -1.569 0.000 0.863 486 G HN 0.519 nan 8.290 nan 0.000 0.495 487 V N -0.205 119.636 119.914 -0.122 0.000 2.760 487 V HA 0.742 4.863 4.120 0.002 0.000 0.309 487 V C 0.434 176.643 176.094 0.191 0.000 1.077 487 V CA -0.443 61.914 62.300 0.096 0.000 0.910 487 V CB 2.186 34.140 31.823 0.218 0.000 1.008 487 V HN 1.013 nan 8.190 nan 0.000 0.424 488 V N 1.078 121.083 119.914 0.152 0.000 2.667 488 V HA 0.678 4.799 4.120 0.002 0.000 0.308 488 V C 0.108 176.101 176.094 -0.168 0.000 1.048 488 V CA -0.816 61.521 62.300 0.062 0.000 0.928 488 V CB 1.796 33.633 31.823 0.023 0.000 1.004 488 V HN 0.960 nan 8.190 nan 0.000 0.444 489 E N 3.902 123.745 120.200 -0.595 0.000 2.414 489 E HA 0.124 4.476 4.350 0.002 0.000 0.263 489 E C -2.292 173.936 176.600 -0.620 0.000 1.000 489 E CA -1.273 54.477 56.400 -1.083 0.000 0.914 489 E CB 1.199 29.880 29.700 -1.699 0.000 0.948 489 E HN 0.508 nan 8.360 nan 0.000 0.444 490 P HA 0.060 nan 4.420 nan 0.000 0.241 490 P C -0.371 176.700 177.300 -0.382 0.000 1.191 490 P CA 0.265 63.089 63.100 -0.460 0.000 0.771 490 P CB 0.482 31.776 31.700 -0.677 0.000 0.929 491 V N 0.032 119.590 119.914 -0.594 0.000 3.049 491 V HA 0.365 4.487 4.120 0.002 0.000 0.309 491 V C -2.644 172.863 176.094 -0.977 0.000 1.148 491 V CA -2.387 59.463 62.300 -0.749 0.000 0.990 491 V CB 2.733 34.294 31.823 -0.437 0.000 1.039 491 V HN -0.202 nan 8.190 nan 0.000 0.430 492 P HA 0.256 nan 4.420 nan 0.000 0.276 492 P C -1.224 175.862 177.300 -0.356 0.000 1.235 492 P CA 0.034 62.750 63.100 -0.640 0.000 0.772 492 P CB 0.361 31.779 31.700 -0.471 0.000 0.871 493 H N 2.336 121.246 119.070 -0.267 0.000 2.551 493 H HA 0.212 4.769 4.556 0.002 0.000 0.321 493 H C 0.474 175.846 175.328 0.074 0.000 1.028 493 H CA -0.427 55.460 56.048 -0.268 0.000 1.215 493 H CB 0.672 30.195 29.762 -0.398 0.000 1.414 493 H HN 0.470 nan 8.280 nan 0.000 0.480 494 D N 1.609 122.217 120.400 0.346 0.000 2.414 494 D HA -0.017 4.624 4.640 0.002 0.000 0.259 494 D C 0.691 177.174 176.300 0.306 0.000 1.269 494 D CA -0.405 53.763 54.000 0.279 0.000 1.028 494 D CB 1.027 41.943 40.800 0.194 0.000 1.093 494 D HN 0.272 nan 8.370 nan 0.000 0.545 495 E N -1.078 119.243 120.200 0.201 0.000 2.463 495 E HA -0.017 4.334 4.350 0.002 0.000 0.191 495 E C 1.468 178.122 176.600 0.089 0.000 1.083 495 E CA 0.326 56.827 56.400 0.168 0.000 0.872 495 E CB -0.414 29.357 29.700 0.117 0.000 0.966 495 E HN 0.687 nan 8.360 nan 0.000 0.491 496 T N -2.569 112.017 114.554 0.053 0.000 2.985 496 T HA -0.065 4.286 4.350 0.002 0.000 0.266 496 T C 1.011 175.617 174.700 -0.157 0.000 1.076 496 T CA 0.277 62.327 62.100 -0.084 0.000 1.135 496 T CB -0.296 68.472 68.868 -0.166 0.000 0.890 496 T HN -0.039 nan 8.240 nan 0.000 0.480 497 Y N 0.408 120.646 120.300 -0.104 0.000 2.330 497 Y HA 0.414 4.965 4.550 0.002 0.000 0.341 497 Y C 0.860 176.678 175.900 -0.137 0.000 1.278 497 Y CA -1.048 56.931 58.100 -0.202 0.000 1.453 497 Y CB 0.592 38.842 38.460 -0.349 0.000 1.342 497 Y HN 0.198 nan 8.280 nan 0.000 0.590 498 C N 3.448 122.726 119.300 -0.036 0.000 3.430 498 C HA 0.261 4.722 4.460 0.002 0.000 0.268 498 C C 0.427 175.189 174.990 -0.380 0.000 1.101 498 C CA -0.874 58.056 59.018 -0.146 0.000 1.286 498 C CB -1.448 26.245 27.740 -0.078 0.000 1.795 498 C HN 0.891 nan 8.230 nan 0.000 0.569 499 D N 2.996 123.080 120.400 -0.525 0.000 2.117 499 D HA -0.054 4.587 4.640 0.002 0.000 0.198 499 D C -0.498 175.324 176.300 -0.797 0.000 0.982 499 D CA 1.319 54.979 54.000 -0.567 0.000 0.828 499 D CB -0.791 39.808 40.800 -0.335 0.000 0.967 499 D HN 0.480 nan 8.370 nan 0.000 0.464 500 P HA -0.113 nan 4.420 nan 0.000 0.218 500 P C 1.083 177.979 177.300 -0.673 0.000 1.146 500 P CA 1.359 63.659 63.100 -1.334 0.000 0.813 500 P CB -0.045 30.515 31.700 -1.900 0.000 0.778 501 A N 0.454 122.894 122.820 -0.633 0.000 2.168 501 A HA -0.068 4.253 4.320 0.002 0.000 0.215 501 A C 2.214 179.726 177.584 -0.121 0.000 1.152 501 A CA 1.473 53.264 52.037 -0.409 0.000 0.716 501 A CB -1.202 17.543 19.000 -0.424 0.000 0.794 501 A HN 0.373 nan 8.150 nan 0.000 0.465 502 S N -1.064 114.620 115.700 -0.027 0.000 2.562 502 S HA 0.237 4.708 4.470 0.002 0.000 0.221 502 S C 0.597 175.715 174.600 0.863 0.000 0.975 502 S CA -0.210 58.174 58.200 0.305 0.000 0.918 502 S CB -0.370 62.938 63.200 0.180 0.000 0.772 502 S HN 0.427 nan 8.310 nan 0.000 0.531 503 L N 1.286 122.759 121.223 0.416 0.000 2.375 503 L HA 0.373 4.714 4.340 0.002 0.000 0.271 503 L C 1.248 178.105 176.870 -0.022 0.000 1.107 503 L CA -0.589 54.319 54.840 0.113 0.000 0.806 503 L CB 1.039 42.905 42.059 -0.322 0.000 1.146 503 L HN 0.241 nan 8.230 nan 0.000 0.447 504 F N 3.042 122.824 119.950 -0.281 0.000 2.000 504 F HA -0.293 4.235 4.527 0.002 0.000 0.296 504 F C 2.365 177.949 175.800 -0.360 0.000 1.159 504 F CA 1.912 59.494 58.000 -0.697 0.000 1.183 504 F CB -0.303 38.405 39.000 -0.487 0.000 0.959 504 F HN 0.621 nan 8.300 nan 0.000 0.490 505 H N -0.916 118.094 119.070 -0.101 0.000 2.554 505 H HA -0.113 4.444 4.556 0.002 0.000 0.290 505 H C 2.194 177.495 175.328 -0.044 0.000 1.058 505 H CA 1.084 57.163 56.048 0.053 0.000 1.224 505 H CB -0.421 29.489 29.762 0.246 0.000 1.359 505 H HN 0.287 nan 8.280 nan 0.000 0.589 506 V N 0.493 120.363 119.914 -0.073 0.000 2.575 506 V HA -0.133 3.988 4.120 0.002 0.000 0.242 506 V C 2.386 178.476 176.094 -0.007 0.000 1.045 506 V CA 1.557 63.858 62.300 0.003 0.000 1.065 506 V CB 0.290 32.028 31.823 -0.141 0.000 0.717 506 V HN 0.488 nan 8.190 nan 0.000 0.467 507 S N -0.610 114.964 115.700 -0.209 0.000 2.458 507 S HA 0.023 4.494 4.470 0.002 0.000 0.223 507 S C 1.343 175.760 174.600 -0.304 0.000 1.019 507 S CA 0.486 58.558 58.200 -0.213 0.000 0.937 507 S CB -0.276 62.806 63.200 -0.198 0.000 0.788 507 S HN 0.596 nan 8.310 nan 0.000 0.511 508 N N 1.528 119.929 118.700 -0.498 0.000 2.268 508 N HA 0.067 4.808 4.740 0.002 0.000 0.204 508 N C -0.799 174.474 175.510 -0.394 0.000 1.124 508 N CA 0.470 53.203 53.050 -0.528 0.000 0.838 508 N CB 0.164 38.018 38.487 -1.056 0.000 0.994 508 N HN 0.357 nan 8.380 nan 0.000 0.489 509 D N 0.367 120.679 120.400 -0.147 0.000 2.760 509 D HA -0.219 4.422 4.640 0.002 0.000 0.244 509 D C -1.447 174.800 176.300 -0.088 0.000 1.123 509 D CA 0.800 54.862 54.000 0.104 0.000 0.719 509 D CB -1.593 39.281 40.800 0.123 0.000 1.045 509 D HN 0.242 nan 8.370 nan 0.000 0.426 510 Y N -0.089 120.315 120.300 0.173 0.000 2.429 510 Y HA 0.465 5.016 4.550 0.002 0.000 0.342 510 Y C 0.819 176.494 175.900 -0.375 0.000 1.004 510 Y CA -0.599 57.500 58.100 -0.002 0.000 1.075 510 Y CB 1.719 40.284 38.460 0.175 0.000 1.214 510 Y HN 0.086 nan 8.280 nan 0.000 0.455 511 S N 1.702 116.966 115.700 -0.726 0.000 2.549 511 S HA 0.105 4.576 4.470 0.002 0.000 0.283 511 S C 0.114 174.716 174.600 0.003 0.000 1.320 511 S CA -0.357 57.353 58.200 -0.817 0.000 1.058 511 S CB 0.393 63.117 63.200 -0.794 0.000 0.882 511 S HN 0.783 nan 8.310 nan 0.000 0.498 512 F N 1.907 121.829 119.950 -0.046 0.000 2.680 512 F HA 0.293 4.821 4.527 0.002 0.000 0.290 512 F C 1.755 177.648 175.800 0.154 0.000 1.114 512 F CA -0.230 57.857 58.000 0.146 0.000 1.333 512 F CB 0.138 39.183 39.000 0.075 0.000 1.091 512 F HN 0.574 nan 8.300 nan 0.000 0.606 513 I N 2.543 123.151 120.570 0.064 0.000 2.597 513 I HA -0.292 3.879 4.170 0.002 0.000 0.262 513 I C 2.421 178.557 176.117 0.032 0.000 1.194 513 I CA 1.577 62.872 61.300 -0.008 0.000 1.437 513 I CB -0.775 37.248 38.000 0.040 0.000 1.096 513 I HN 0.341 nan 8.210 nan 0.000 0.451 514 R N -0.545 119.954 120.500 -0.002 0.000 2.148 514 R HA -0.196 4.145 4.340 0.002 0.000 0.227 514 R C 1.982 178.160 176.300 -0.203 0.000 1.103 514 R CA 1.383 57.448 56.100 -0.057 0.000 0.983 514 R CB -0.852 29.318 30.300 -0.217 0.000 0.874 514 R HN 0.230 nan 8.270 nan 0.000 0.451 515 Y N -0.188 119.998 120.300 -0.191 0.000 2.373 515 Y HA -0.133 4.418 4.550 0.002 0.000 0.293 515 Y C 2.146 177.972 175.900 -0.124 0.000 1.129 515 Y CA 1.214 59.185 58.100 -0.215 0.000 1.226 515 Y CB -0.406 37.751 38.460 -0.506 0.000 1.000 515 Y HN 0.099 nan 8.280 nan 0.000 0.549 516 Y N 0.946 121.180 120.300 -0.109 0.000 2.084 516 Y HA -0.285 4.266 4.550 0.002 0.000 0.279 516 Y C 2.842 178.642 175.900 -0.167 0.000 1.119 516 Y CA 2.358 60.390 58.100 -0.113 0.000 1.101 516 Y CB -0.724 37.664 38.460 -0.119 0.000 0.989 516 Y HN 0.191 nan 8.280 nan 0.000 0.484 517 T N -0.305 114.281 114.554 0.054 0.000 2.665 517 T HA -0.339 4.012 4.350 0.002 0.000 0.268 517 T C 2.072 176.453 174.700 -0.533 0.000 1.035 517 T CA 1.688 63.596 62.100 -0.320 0.000 1.151 517 T CB -0.843 67.895 68.868 -0.217 0.000 0.862 517 T HN 0.454 nan 8.240 nan 0.000 0.438 518 R N 1.374 121.778 120.500 -0.161 0.000 2.196 518 R HA -0.243 4.098 4.340 0.002 0.000 0.244 518 R C 2.400 178.640 176.300 -0.100 0.000 1.121 518 R CA 2.819 58.903 56.100 -0.026 0.000 0.930 518 R CB -1.419 28.881 30.300 -0.000 0.000 0.890 518 R HN 0.597 nan 8.270 nan 0.000 0.435 519 T N 1.738 116.216 114.554 -0.128 0.000 2.788 519 T HA -0.114 4.237 4.350 0.002 0.000 0.268 519 T C 1.974 176.640 174.700 -0.055 0.000 1.044 519 T CA 1.422 63.477 62.100 -0.076 0.000 1.139 519 T CB -0.181 68.647 68.868 -0.066 0.000 0.867 519 T HN 0.211 nan 8.240 nan 0.000 0.454 520 L N -0.561 120.502 121.223 -0.265 0.000 1.994 520 L HA -0.107 4.234 4.340 0.002 0.000 0.208 520 L C 2.588 179.359 176.870 -0.165 0.000 1.071 520 L CA 1.612 56.308 54.840 -0.240 0.000 0.745 520 L CB -0.588 41.247 42.059 -0.373 0.000 0.892 520 L HN 0.242 nan 8.230 nan 0.000 0.431 521 Y N -0.059 120.087 120.300 -0.256 0.000 2.070 521 Y HA -0.342 4.209 4.550 0.002 0.000 0.280 521 Y C 2.723 178.236 175.900 -0.645 0.000 1.148 521 Y CA 1.255 59.004 58.100 -0.586 0.000 1.125 521 Y CB -1.231 36.770 38.460 -0.765 0.000 0.975 521 Y HN 0.236 nan 8.280 nan 0.000 0.492 522 Q N -0.506 119.178 119.800 -0.193 0.000 2.231 522 Q HA -0.299 4.042 4.340 0.002 0.000 0.217 522 Q C 1.840 177.659 176.000 -0.301 0.000 1.013 522 Q CA 2.671 58.366 55.803 -0.180 0.000 0.917 522 Q CB -0.485 28.096 28.738 -0.262 0.000 0.968 522 Q HN 0.493 nan 8.270 nan 0.000 0.414 523 F N -0.045 119.841 119.950 -0.107 0.000 2.219 523 F HA -0.023 4.505 4.527 0.002 0.000 0.294 523 F C 2.547 178.325 175.800 -0.037 0.000 1.086 523 F CA 0.985 58.947 58.000 -0.064 0.000 1.330 523 F CB -0.328 38.621 39.000 -0.085 0.000 1.047 523 F HN 0.076 nan 8.300 nan 0.000 0.495 524 Q N -0.241 119.595 119.800 0.059 0.000 2.133 524 Q HA -0.234 4.108 4.340 0.002 0.000 0.208 524 Q C 2.053 178.073 176.000 0.034 0.000 0.991 524 Q CA 1.959 57.762 55.803 -0.000 0.000 0.867 524 Q CB -0.476 28.206 28.738 -0.093 0.000 0.911 524 Q HN 0.302 nan 8.270 nan 0.000 0.417 525 F N 0.815 120.778 119.950 0.021 0.000 2.031 525 F HA -0.234 4.294 4.527 0.002 0.000 0.295 525 F C 2.638 178.434 175.800 -0.007 0.000 1.133 525 F CA 1.539 59.522 58.000 -0.029 0.000 1.188 525 F CB -1.191 37.747 39.000 -0.103 0.000 0.974 525 F HN 0.066 nan 8.300 nan 0.000 0.473 526 Q N 0.612 120.534 119.800 0.205 0.000 2.173 526 Q HA -0.262 4.079 4.340 0.002 0.000 0.208 526 Q C 2.083 178.163 176.000 0.133 0.000 0.989 526 Q CA 2.171 58.048 55.803 0.122 0.000 0.872 526 Q CB -0.444 28.336 28.738 0.069 0.000 0.909 526 Q HN 0.534 nan 8.270 nan 0.000 0.420 527 E N -0.914 119.385 120.200 0.164 0.000 2.021 527 E HA -0.248 4.103 4.350 0.002 0.000 0.200 527 E C 1.720 178.389 176.600 0.115 0.000 1.015 527 E CA 1.678 58.161 56.400 0.139 0.000 0.824 527 E CB -0.462 29.322 29.700 0.141 0.000 0.762 527 E HN 0.457 nan 8.360 nan 0.000 0.454 528 A N -0.016 122.879 122.820 0.126 0.000 2.015 528 A HA -0.076 4.245 4.320 0.002 0.000 0.219 528 A C 2.090 179.732 177.584 0.096 0.000 1.163 528 A CA 0.926 53.031 52.037 0.113 0.000 0.646 528 A CB -0.398 18.681 19.000 0.133 0.000 0.806 528 A HN 0.368 nan 8.150 nan 0.000 0.448 529 L N -1.117 120.164 121.223 0.097 0.000 2.209 529 L HA -0.068 4.273 4.340 0.002 0.000 0.207 529 L C 2.353 179.255 176.870 0.054 0.000 1.094 529 L CA 1.382 56.258 54.840 0.061 0.000 0.790 529 L CB -0.248 41.839 42.059 0.046 0.000 0.932 529 L HN 0.469 nan 8.230 nan 0.000 0.447 530 c N -1.284 117.351 118.600 0.059 0.000 2.450 530 c HA -0.097 4.474 4.570 0.002 0.000 0.279 530 c C 2.663 176.810 174.090 0.096 0.000 1.335 530 c CA 0.195 56.559 56.329 0.058 0.000 1.749 530 c CB -0.658 41.850 42.510 -0.003 0.000 1.963 530 c HN 0.551 nan 8.230 nan 0.000 0.501 531 Q N 1.029 120.881 119.800 0.088 0.000 2.061 531 Q HA -0.194 4.147 4.340 0.002 0.000 0.204 531 Q C 2.480 178.521 176.000 0.069 0.000 0.984 531 Q CA 2.122 57.974 55.803 0.082 0.000 0.846 531 Q CB -0.306 28.478 28.738 0.076 0.000 0.902 531 Q HN 0.740 nan 8.270 nan 0.000 0.421 532 A N 0.535 123.392 122.820 0.061 0.000 1.933 532 A HA -0.079 4.243 4.320 0.002 0.000 0.218 532 A C 2.138 179.749 177.584 0.045 0.000 1.175 532 A CA 1.482 53.547 52.037 0.047 0.000 0.628 532 A CB -0.708 18.314 19.000 0.037 0.000 0.814 532 A HN 0.412 nan 8.150 nan 0.000 0.444 533 A N -1.571 121.283 122.820 0.057 0.000 2.239 533 A HA 0.152 4.473 4.320 0.002 0.000 0.209 533 A C 1.031 178.659 177.584 0.073 0.000 1.171 533 A CA 0.971 53.045 52.037 0.063 0.000 0.768 533 A CB -0.348 18.698 19.000 0.077 0.000 0.790 533 A HN 0.386 nan 8.150 nan 0.000 0.478 534 K N -0.522 119.922 120.400 0.073 0.000 3.117 534 K HA -0.213 4.108 4.320 0.002 0.000 0.269 534 K C -0.126 176.509 176.600 0.059 0.000 1.098 534 K CA 0.958 57.278 56.287 0.056 0.000 0.785 534 K CB -2.248 30.270 32.500 0.029 0.000 1.242 534 K HN 0.888 nan 8.250 nan 0.000 0.491 535 H N 0.450 119.526 119.070 0.011 0.000 2.745 535 H HA 0.077 4.634 4.556 0.002 0.000 0.373 535 H C 1.383 176.708 175.328 -0.005 0.000 1.226 535 H CA 1.168 57.218 56.048 0.003 0.000 1.435 535 H CB 0.735 30.500 29.762 0.004 0.000 1.461 535 H HN 0.210 nan 8.280 nan 0.000 0.616 536 E N 1.424 121.192 120.200 -0.722 0.000 2.378 536 E HA 0.153 4.504 4.350 0.002 0.000 0.200 536 E C 1.014 177.501 176.600 -0.188 0.000 0.882 536 E CA 0.312 56.513 56.400 -0.332 0.000 1.061 536 E CB 0.550 30.082 29.700 -0.281 0.000 1.049 536 E HN 0.741 nan 8.360 nan 0.000 0.494 537 G N 1.829 110.477 108.800 -0.253 0.000 2.666 537 G HA2 0.231 4.192 3.960 0.002 0.000 0.207 537 G HA3 0.231 4.192 3.960 0.002 0.000 0.207 537 G C -2.294 172.638 174.900 0.054 0.000 1.481 537 G CA -0.671 44.403 45.100 -0.043 0.000 1.071 537 G HN -0.060 nan 8.290 nan 0.000 0.572 538 P HA 0.014 nan 4.420 nan 0.000 0.264 538 P C 0.766 177.924 177.300 -0.236 0.000 1.179 538 P CA -0.166 62.837 63.100 -0.161 0.000 0.763 538 P CB 0.575 32.054 31.700 -0.369 0.000 0.806 539 L N 3.117 124.217 121.223 -0.204 0.000 2.275 539 L HA -0.154 4.187 4.340 0.002 0.000 0.215 539 L C 2.152 178.827 176.870 -0.325 0.000 1.119 539 L CA 1.492 56.215 54.840 -0.195 0.000 0.790 539 L CB -0.864 41.191 42.059 -0.007 0.000 0.919 539 L HN 0.537 nan 8.230 nan 0.000 0.443 540 H N -2.174 116.590 119.070 -0.509 0.000 2.551 540 H HA 0.057 4.614 4.556 0.002 0.000 0.266 540 H C 1.191 176.462 175.328 -0.096 0.000 0.977 540 H CA 0.344 56.099 56.048 -0.489 0.000 1.163 540 H CB -0.058 29.190 29.762 -0.857 0.000 1.381 540 H HN 0.366 nan 8.280 nan 0.000 0.581 541 K N 0.720 120.865 120.400 -0.425 0.000 2.404 541 K HA 0.081 4.402 4.320 0.002 0.000 0.194 541 K C 0.670 177.209 176.600 -0.103 0.000 1.023 541 K CA -0.018 56.169 56.287 -0.166 0.000 1.094 541 K CB 0.365 32.805 32.500 -0.100 0.000 0.841 541 K HN 0.177 nan 8.250 nan 0.000 0.523 542 c N 2.053 120.439 118.600 -0.358 0.000 2.652 542 c HA 0.177 4.749 4.570 0.002 0.000 0.412 542 c C -0.002 174.028 174.090 -0.100 0.000 1.294 542 c CA -0.077 55.977 56.329 -0.458 0.000 2.127 542 c CB 0.136 42.220 42.510 -0.711 0.000 2.691 542 c HN 0.415 nan 8.230 nan 0.000 0.615 543 D N 3.292 123.698 120.400 0.009 0.000 2.714 543 D HA 0.194 4.835 4.640 0.002 0.000 0.264 543 D C 0.826 177.207 176.300 0.134 0.000 1.231 543 D CA -0.487 53.559 54.000 0.076 0.000 0.802 543 D CB -0.125 40.752 40.800 0.128 0.000 1.319 543 D HN 0.523 nan 8.370 nan 0.000 0.528 544 I N -0.397 120.240 120.570 0.112 0.000 2.874 544 I HA -0.084 4.087 4.170 0.002 0.000 0.271 544 I C 0.731 176.897 176.117 0.082 0.000 1.263 544 I CA 0.185 61.537 61.300 0.088 0.000 1.443 544 I CB -1.440 36.586 38.000 0.042 0.000 1.100 544 I HN 0.157 nan 8.210 nan 0.000 0.480 545 S N 1.395 117.215 115.700 0.200 0.000 2.566 545 S HA 0.079 4.551 4.470 0.002 0.000 0.280 545 S C 0.977 175.625 174.600 0.081 0.000 1.343 545 S CA 0.153 58.445 58.200 0.154 0.000 1.036 545 S CB 0.544 64.016 63.200 0.453 0.000 0.866 545 S HN 0.675 nan 8.310 nan 0.000 0.526 546 N N -0.734 117.979 118.700 0.022 0.000 2.924 546 N HA -0.180 4.561 4.740 0.002 0.000 0.210 546 N C -0.576 174.929 175.510 -0.009 0.000 0.902 546 N CA 1.385 54.443 53.050 0.014 0.000 1.061 546 N CB -1.279 37.232 38.487 0.040 0.000 0.985 546 N HN 0.635 nan 8.380 nan 0.000 0.600 547 S N 0.990 116.681 115.700 -0.014 0.000 3.489 547 S HA 0.161 4.632 4.470 0.002 0.000 0.227 547 S C 1.371 175.948 174.600 -0.038 0.000 1.360 547 S CA 0.249 58.441 58.200 -0.014 0.000 0.934 547 S CB 0.808 64.013 63.200 0.009 0.000 1.410 547 S HN 0.409 nan 8.310 nan 0.000 0.483 548 T N 0.003 114.531 114.554 -0.044 0.000 2.822 548 T HA -0.222 4.129 4.350 0.002 0.000 0.270 548 T C 1.588 176.267 174.700 -0.036 0.000 1.064 548 T CA 1.466 63.534 62.100 -0.053 0.000 1.131 548 T CB -0.325 68.513 68.868 -0.051 0.000 0.858 548 T HN 0.541 nan 8.240 nan 0.000 0.483 549 E N 2.143 122.332 120.200 -0.018 0.000 2.097 549 E HA -0.124 4.227 4.350 0.002 0.000 0.196 549 E C 2.241 178.840 176.600 -0.001 0.000 1.000 549 E CA 1.586 57.984 56.400 -0.004 0.000 0.804 549 E CB -0.811 28.892 29.700 0.005 0.000 0.740 549 E HN 0.668 nan 8.360 nan 0.000 0.454 550 A N 0.164 122.979 122.820 -0.008 0.000 1.840 550 A HA 0.073 4.394 4.320 0.002 0.000 0.214 550 A C 2.552 180.121 177.584 -0.026 0.000 1.198 550 A CA 1.401 53.432 52.037 -0.010 0.000 0.608 550 A CB -1.411 17.583 19.000 -0.010 0.000 0.839 550 A HN 0.431 nan 8.150 nan 0.000 0.443 551 G N -0.878 107.893 108.800 -0.048 0.000 2.503 551 G HA2 -0.325 3.636 3.960 0.002 0.000 0.221 551 G HA3 -0.325 3.636 3.960 0.002 0.000 0.221 551 G C 1.647 176.542 174.900 -0.009 0.000 1.131 551 G CA 1.223 46.289 45.100 -0.057 0.000 0.756 551 G HN 0.587 nan 8.290 nan 0.000 0.572 552 Q N -0.247 119.554 119.800 0.001 0.000 2.083 552 Q HA -0.033 4.308 4.340 0.002 0.000 0.198 552 Q C 2.554 178.594 176.000 0.067 0.000 0.969 552 Q CA 1.189 57.025 55.803 0.055 0.000 0.838 552 Q CB -0.156 28.601 28.738 0.031 0.000 0.900 552 Q HN 0.514 nan 8.270 nan 0.000 0.436 553 K N 0.304 120.719 120.400 0.026 0.000 2.020 553 K HA -0.231 4.090 4.320 0.002 0.000 0.212 553 K C 2.162 178.750 176.600 -0.019 0.000 1.050 553 K CA 1.434 57.730 56.287 0.014 0.000 0.929 553 K CB -0.233 32.276 32.500 0.015 0.000 0.714 553 K HN 0.124 nan 8.250 nan 0.000 0.443 554 L N 0.601 121.794 121.223 -0.049 0.000 1.989 554 L HA -0.161 4.180 4.340 0.002 0.000 0.211 554 L C 2.097 178.900 176.870 -0.112 0.000 1.071 554 L CA 1.732 56.488 54.840 -0.141 0.000 0.749 554 L CB -0.741 41.221 42.059 -0.162 0.000 0.890 554 L HN 0.266 nan 8.230 nan 0.000 0.431 555 F N 0.598 120.453 119.950 -0.159 0.000 2.095 555 F HA -0.297 4.231 4.527 0.002 0.000 0.298 555 F C 2.210 177.952 175.800 -0.096 0.000 1.104 555 F CA 2.184 60.102 58.000 -0.137 0.000 1.232 555 F CB -0.456 38.479 39.000 -0.108 0.000 0.987 555 F HN 0.298 nan 8.300 nan 0.000 0.475 556 N N 0.025 118.679 118.700 -0.077 0.000 2.247 556 N HA -0.272 4.470 4.740 0.002 0.000 0.189 556 N C 1.640 177.036 175.510 -0.190 0.000 1.009 556 N CA 1.615 54.582 53.050 -0.140 0.000 0.872 556 N CB -0.244 38.231 38.487 -0.019 0.000 0.980 556 N HN 0.487 nan 8.380 nan 0.000 0.436 557 M N -0.882 118.608 119.600 -0.184 0.000 2.556 557 M HA 0.170 4.651 4.480 0.002 0.000 0.264 557 M C 1.478 177.666 176.300 -0.188 0.000 1.163 557 M CA 0.981 56.197 55.300 -0.141 0.000 1.186 557 M CB -0.293 32.267 32.600 -0.066 0.000 1.321 557 M HN -0.178 nan 8.290 nan 0.000 0.485 558 L N 1.933 122.963 121.223 -0.322 0.000 1.978 558 L HA -0.183 4.158 4.340 0.002 0.000 0.218 558 L C 2.856 179.703 176.870 -0.038 0.000 1.075 558 L CA 2.670 57.330 54.840 -0.299 0.000 0.767 558 L CB -1.334 40.516 42.059 -0.348 0.000 0.890 558 L HN 0.617 nan 8.230 nan 0.000 0.434 559 R N -0.908 119.327 120.500 -0.441 0.000 2.200 559 R HA -0.178 4.163 4.340 0.002 0.000 0.234 559 R C 2.142 178.385 176.300 -0.094 0.000 1.127 559 R CA 1.369 57.251 56.100 -0.362 0.000 0.989 559 R CB -0.929 28.858 30.300 -0.855 0.000 0.869 559 R HN 0.299 nan 8.270 nan 0.000 0.459 560 L N 0.791 121.956 121.223 -0.096 0.000 2.201 560 L HA 0.053 4.394 4.340 0.002 0.000 0.212 560 L C 1.252 178.088 176.870 -0.058 0.000 1.105 560 L CA 1.687 56.484 54.840 -0.072 0.000 0.775 560 L CB -0.480 41.529 42.059 -0.083 0.000 0.913 560 L HN 0.608 nan 8.230 nan 0.000 0.440 561 G N -0.154 108.643 108.800 -0.005 0.000 2.578 561 G HA2 -0.490 3.471 3.960 0.002 0.000 0.275 561 G HA3 -0.490 3.471 3.960 0.002 0.000 0.275 561 G C 0.459 175.193 174.900 -0.276 0.000 1.271 561 G CA 0.477 45.395 45.100 -0.304 0.000 0.941 561 G HN 0.472 nan 8.290 nan 0.000 0.564 562 K N 0.117 120.301 120.400 -0.359 0.000 3.100 562 K HA 0.453 4.774 4.320 0.002 0.000 0.256 562 K C 1.838 178.326 176.600 -0.187 0.000 1.146 562 K CA 1.135 57.262 56.287 -0.267 0.000 1.233 562 K CB -0.330 32.002 32.500 -0.280 0.000 1.226 562 K HN 0.629 nan 8.250 nan 0.000 0.442 563 S N -0.152 115.451 115.700 -0.162 0.000 2.412 563 S HA 0.070 4.541 4.470 0.002 0.000 0.223 563 S C 0.255 174.788 174.600 -0.113 0.000 1.048 563 S CA 0.003 58.132 58.200 -0.118 0.000 0.954 563 S CB 0.068 63.211 63.200 -0.095 0.000 0.840 563 S HN 0.408 nan 8.310 nan 0.000 0.503 564 E N 2.320 122.439 120.200 -0.135 0.000 2.250 564 E HA 0.422 4.773 4.350 0.002 0.000 0.269 564 E C -2.667 173.820 176.600 -0.189 0.000 1.018 564 E CA -2.706 53.595 56.400 -0.164 0.000 0.873 564 E CB 0.397 29.982 29.700 -0.192 0.000 1.134 564 E HN 0.318 nan 8.360 nan 0.000 0.403 565 P HA -0.127 nan 4.420 nan 0.000 0.265 565 P C 1.169 178.298 177.300 -0.285 0.000 1.187 565 P CA 0.197 63.148 63.100 -0.248 0.000 0.766 565 P CB 0.220 31.741 31.700 -0.298 0.000 0.820 566 W N 3.297 124.440 121.300 -0.262 0.000 2.364 566 W HA -0.186 4.475 4.660 0.002 0.000 0.281 566 W C 0.956 177.409 176.519 -0.110 0.000 1.219 566 W CA 1.588 58.717 57.345 -0.360 0.000 1.220 566 W CB -2.345 26.813 29.460 -0.504 0.000 1.127 566 W HN 0.337 nan 8.180 nan 0.000 0.556 567 T N 0.363 114.508 114.554 -0.682 0.000 2.777 567 T HA -0.239 4.112 4.350 0.002 0.000 0.266 567 T C 2.092 176.706 174.700 -0.143 0.000 1.040 567 T CA 1.533 63.308 62.100 -0.541 0.000 1.141 567 T CB -0.960 67.577 68.868 -0.553 0.000 0.868 567 T HN 0.298 nan 8.240 nan 0.000 0.444 568 L N 1.040 121.991 121.223 -0.454 0.000 2.027 568 L HA 0.122 4.463 4.340 0.002 0.000 0.206 568 L C 3.033 179.821 176.870 -0.136 0.000 1.074 568 L CA 1.474 55.994 54.840 -0.533 0.000 0.745 568 L CB -0.848 40.609 42.059 -1.003 0.000 0.898 568 L HN 0.372 nan 8.230 nan 0.000 0.433 569 A N 0.069 122.838 122.820 -0.086 0.000 1.917 569 A HA -0.263 4.058 4.320 0.002 0.000 0.219 569 A C 2.262 180.001 177.584 0.258 0.000 1.182 569 A CA 2.093 54.168 52.037 0.064 0.000 0.633 569 A CB -0.985 18.023 19.000 0.014 0.000 0.819 569 A HN 0.537 nan 8.150 nan 0.000 0.448 570 L N -1.089 120.359 121.223 0.375 0.000 1.970 570 L HA -0.238 4.103 4.340 0.002 0.000 0.212 570 L C 2.680 179.698 176.870 0.247 0.000 1.071 570 L CA 2.156 57.219 54.840 0.372 0.000 0.751 570 L CB -0.479 41.816 42.059 0.394 0.000 0.889 570 L HN 0.582 nan 8.230 nan 0.000 0.432 571 E N -0.156 120.165 120.200 0.202 0.000 2.219 571 E HA -0.266 4.085 4.350 0.002 0.000 0.198 571 E C 1.707 178.392 176.600 0.141 0.000 0.998 571 E CA 1.292 57.798 56.400 0.177 0.000 0.818 571 E CB 0.128 29.958 29.700 0.217 0.000 0.741 571 E HN 0.430 nan 8.360 nan 0.000 0.477 572 N N -0.712 118.061 118.700 0.122 0.000 2.188 572 N HA -0.127 4.614 4.740 0.002 0.000 0.184 572 N C 1.532 177.101 175.510 0.098 0.000 1.018 572 N CA 1.459 54.562 53.050 0.088 0.000 0.858 572 N CB 0.128 38.647 38.487 0.054 0.000 0.989 572 N HN 0.093 nan 8.380 nan 0.000 0.426 573 V N -0.912 119.091 119.914 0.149 0.000 3.125 573 V HA 0.081 4.202 4.120 0.002 0.000 0.249 573 V C 1.891 178.091 176.094 0.177 0.000 1.113 573 V CA 0.882 63.279 62.300 0.162 0.000 1.106 573 V CB -0.192 31.785 31.823 0.256 0.000 0.768 573 V HN 0.233 nan 8.190 nan 0.000 0.468 574 V N -2.313 117.707 119.914 0.176 0.000 3.001 574 V HA 0.808 4.930 4.120 0.002 0.000 0.228 574 V C 1.497 177.664 176.094 0.122 0.000 1.204 574 V CA 1.330 63.719 62.300 0.148 0.000 1.247 574 V CB 0.390 32.294 31.823 0.135 0.000 1.093 574 V HN 0.649 nan 8.190 nan 0.000 0.504 575 G N 0.202 109.079 108.800 0.129 0.000 2.613 575 G HA2 0.301 4.262 3.960 0.002 0.000 0.199 575 G HA3 0.301 4.262 3.960 0.002 0.000 0.199 575 G C 0.191 175.163 174.900 0.119 0.000 0.991 575 G CA 0.217 45.385 45.100 0.112 0.000 0.756 575 G HN 1.568 nan 8.290 nan 0.000 0.515 576 A N 0.622 123.528 122.820 0.143 0.000 2.340 576 A HA 0.750 5.071 4.320 0.002 0.000 0.331 576 A C 1.091 178.794 177.584 0.197 0.000 1.140 576 A CA 0.422 52.551 52.037 0.154 0.000 0.801 576 A CB 1.114 20.207 19.000 0.155 0.000 1.234 576 A HN 0.686 nan 8.150 nan 0.000 0.469 577 K N 1.160 121.671 120.400 0.186 0.000 2.365 577 K HA -0.029 4.292 4.320 0.002 0.000 0.199 577 K C 0.302 177.025 176.600 0.205 0.000 1.045 577 K CA 0.994 57.405 56.287 0.208 0.000 0.962 577 K CB 0.114 32.706 32.500 0.153 0.000 0.759 577 K HN 0.521 nan 8.250 nan 0.000 0.469 578 N N 0.913 119.786 118.700 0.288 0.000 2.405 578 N HA 0.184 4.925 4.740 0.002 0.000 0.285 578 N C -0.566 175.225 175.510 0.468 0.000 1.262 578 N CA -0.893 52.430 53.050 0.456 0.000 0.773 578 N CB 1.603 40.330 38.487 0.402 0.000 1.490 578 N HN 0.189 nan 8.380 nan 0.000 0.486 579 M N 0.744 120.689 119.600 0.575 0.000 2.245 579 M HA 0.207 4.688 4.480 0.002 0.000 0.312 579 M C -0.514 175.927 176.300 0.236 0.000 1.070 579 M CA 0.402 55.937 55.300 0.391 0.000 1.162 579 M CB 0.321 33.061 32.600 0.232 0.000 1.448 579 M HN 0.451 nan 8.290 nan 0.000 0.446 580 N N 0.486 119.272 118.700 0.144 0.000 2.329 580 N HA 0.321 5.062 4.740 0.002 0.000 0.282 580 N C -0.517 175.016 175.510 0.039 0.000 1.198 580 N CA -0.693 52.416 53.050 0.100 0.000 0.790 580 N CB 2.781 41.328 38.487 0.101 0.000 1.579 580 N HN 0.655 nan 8.380 nan 0.000 0.475 581 V N 3.174 123.102 119.914 0.023 0.000 2.599 581 V HA 0.080 4.201 4.120 0.002 0.000 0.245 581 V C 2.243 178.310 176.094 -0.044 0.000 1.046 581 V CA 1.328 63.611 62.300 -0.029 0.000 1.065 581 V CB -0.216 31.588 31.823 -0.032 0.000 0.703 581 V HN 0.658 nan 8.190 nan 0.000 0.464 582 R N 0.561 121.051 120.500 -0.016 0.000 2.073 582 R HA -0.066 4.275 4.340 0.002 0.000 0.234 582 R C -0.145 176.150 176.300 -0.007 0.000 1.134 582 R CA 2.299 58.388 56.100 -0.019 0.000 0.952 582 R CB -1.533 28.768 30.300 0.002 0.000 0.850 582 R HN 0.459 nan 8.270 nan 0.000 0.433 583 P HA -0.234 nan 4.420 nan 0.000 0.217 583 P C 1.176 178.482 177.300 0.010 0.000 1.158 583 P CA 1.173 64.312 63.100 0.065 0.000 0.887 583 P CB -0.063 31.703 31.700 0.110 0.000 0.792 584 L N -1.114 120.038 121.223 -0.118 0.000 1.989 584 L HA -0.183 4.158 4.340 0.002 0.000 0.211 584 L C 2.272 179.011 176.870 -0.218 0.000 1.071 584 L CA 1.916 56.467 54.840 -0.482 0.000 0.749 584 L CB -1.432 40.372 42.059 -0.425 0.000 0.890 584 L HN -0.137 nan 8.230 nan 0.000 0.431 585 L N -0.160 120.996 121.223 -0.111 0.000 2.042 585 L HA -0.246 4.095 4.340 0.002 0.000 0.210 585 L C 2.238 179.120 176.870 0.019 0.000 1.076 585 L CA 2.119 56.923 54.840 -0.061 0.000 0.749 585 L CB -0.810 41.170 42.059 -0.131 0.000 0.893 585 L HN 0.439 nan 8.230 nan 0.000 0.432 586 N N -1.558 117.153 118.700 0.018 0.000 2.381 586 N HA -0.224 4.517 4.740 0.002 0.000 0.182 586 N C 1.767 177.323 175.510 0.076 0.000 1.025 586 N CA 0.702 53.783 53.050 0.051 0.000 0.888 586 N CB -0.112 38.405 38.487 0.049 0.000 0.965 586 N HN 0.336 nan 8.380 nan 0.000 0.438 587 Y N 0.125 120.362 120.300 -0.105 0.000 2.242 587 Y HA -0.090 4.461 4.550 0.002 0.000 0.291 587 Y C 0.984 176.702 175.900 -0.304 0.000 1.137 587 Y CA 1.326 59.304 58.100 -0.204 0.000 1.181 587 Y CB 0.004 38.222 38.460 -0.403 0.000 0.989 587 Y HN -0.035 nan 8.280 nan 0.000 0.527 588 F N 0.212 120.260 119.950 0.164 0.000 2.732 588 F HA 0.059 4.587 4.527 0.002 0.000 0.303 588 F C 1.935 177.792 175.800 0.095 0.000 1.110 588 F CA -0.108 57.954 58.000 0.104 0.000 1.355 588 F CB -0.011 39.017 39.000 0.047 0.000 1.081 588 F HN 0.021 nan 8.300 nan 0.000 0.565 589 E N 1.167 121.489 120.200 0.204 0.000 2.065 589 E HA -0.220 4.131 4.350 0.002 0.000 0.201 589 E C -0.448 176.287 176.600 0.225 0.000 1.016 589 E CA 1.744 58.267 56.400 0.206 0.000 0.818 589 E CB -1.543 28.237 29.700 0.134 0.000 0.749 589 E HN 0.287 nan 8.360 nan 0.000 0.453 590 P HA -0.115 nan 4.420 nan 0.000 0.218 590 P C 1.675 179.077 177.300 0.169 0.000 1.149 590 P CA 0.760 63.943 63.100 0.139 0.000 0.817 590 P CB -0.061 31.691 31.700 0.086 0.000 0.785 591 L N -1.756 119.578 121.223 0.185 0.000 2.072 591 L HA -0.030 4.311 4.340 0.002 0.000 0.205 591 L C 2.211 179.268 176.870 0.312 0.000 1.079 591 L CA 1.513 56.489 54.840 0.226 0.000 0.752 591 L CB -1.220 40.988 42.059 0.247 0.000 0.906 591 L HN -0.166 nan 8.230 nan 0.000 0.436 592 F N 0.511 120.555 119.950 0.156 0.000 2.095 592 F HA -0.247 4.281 4.527 0.002 0.000 0.298 592 F C 2.581 178.410 175.800 0.048 0.000 1.104 592 F CA 2.128 60.176 58.000 0.080 0.000 1.232 592 F CB -0.834 38.190 39.000 0.041 0.000 0.987 592 F HN 0.312 nan 8.300 nan 0.000 0.475 593 T N -3.223 111.345 114.554 0.024 0.000 3.072 593 T HA -0.210 4.141 4.350 0.002 0.000 0.266 593 T C 1.636 176.327 174.700 -0.015 0.000 1.127 593 T CA 0.873 62.916 62.100 -0.096 0.000 1.107 593 T CB -1.060 67.838 68.868 0.051 0.000 0.910 593 T HN 0.614 nan 8.240 nan 0.000 0.513 594 W N 0.926 122.172 121.300 -0.090 0.000 2.576 594 W HA 0.388 5.049 4.660 0.002 0.000 0.275 594 W C 1.513 177.986 176.519 -0.076 0.000 1.241 594 W CA -0.072 57.246 57.345 -0.046 0.000 1.328 594 W CB 0.031 29.498 29.460 0.012 0.000 1.092 594 W HN 0.161 nan 8.180 nan 0.000 0.586 595 L N 0.796 122.030 121.223 0.017 0.000 2.156 595 L HA -0.110 4.231 4.340 0.002 0.000 0.208 595 L C 2.216 179.001 176.870 -0.142 0.000 1.095 595 L CA 1.265 56.046 54.840 -0.098 0.000 0.770 595 L CB -0.598 41.507 42.059 0.076 0.000 0.914 595 L HN -0.157 nan 8.230 nan 0.000 0.439 596 K N -0.361 119.864 120.400 -0.291 0.000 2.097 596 K HA -0.171 4.150 4.320 0.002 0.000 0.205 596 K C 1.779 178.276 176.600 -0.172 0.000 1.050 596 K CA 1.104 57.253 56.287 -0.231 0.000 0.938 596 K CB -0.132 32.075 32.500 -0.488 0.000 0.718 596 K HN 0.133 nan 8.250 nan 0.000 0.442 597 D N 0.736 120.976 120.400 -0.267 0.000 2.133 597 D HA -0.166 4.475 4.640 0.002 0.000 0.195 597 D C 1.911 178.042 176.300 -0.282 0.000 0.997 597 D CA 1.207 55.041 54.000 -0.278 0.000 0.840 597 D CB 0.205 40.767 40.800 -0.397 0.000 0.947 597 D HN 0.193 nan 8.370 nan 0.000 0.452 598 Q N -0.075 119.499 119.800 -0.376 0.000 2.187 598 Q HA 0.005 4.346 4.340 0.002 0.000 0.199 598 Q C 1.141 177.070 176.000 -0.119 0.000 0.957 598 Q CA 0.562 56.203 55.803 -0.269 0.000 0.857 598 Q CB -0.305 28.253 28.738 -0.301 0.000 0.929 598 Q HN 0.307 nan 8.270 nan 0.000 0.453 599 N N 1.315 119.975 118.700 -0.066 0.000 2.362 599 N HA -0.007 4.735 4.740 0.002 0.000 0.204 599 N C 1.220 176.720 175.510 -0.016 0.000 1.166 599 N CA 0.138 53.174 53.050 -0.024 0.000 0.831 599 N CB 0.264 38.744 38.487 -0.011 0.000 1.008 599 N HN 0.301 nan 8.380 nan 0.000 0.472 600 K N 0.841 121.218 120.400 -0.038 0.000 2.103 600 K HA -0.034 4.287 4.320 0.002 0.000 0.207 600 K C 0.804 177.393 176.600 -0.018 0.000 1.048 600 K CA 1.195 57.464 56.287 -0.029 0.000 0.930 600 K CB 0.290 32.759 32.500 -0.052 0.000 0.716 600 K HN 0.094 nan 8.250 nan 0.000 0.444 601 N N -0.542 118.142 118.700 -0.026 0.000 2.445 601 N HA 0.040 4.781 4.740 0.002 0.000 0.204 601 N C -0.104 175.405 175.510 -0.002 0.000 1.098 601 N CA 0.032 53.071 53.050 -0.017 0.000 0.859 601 N CB 0.585 39.053 38.487 -0.031 0.000 1.249 601 N HN -0.049 nan 8.380 nan 0.000 0.462 602 S N 0.760 116.455 115.700 -0.009 0.000 2.572 602 S HA 0.071 4.542 4.470 0.002 0.000 0.267 602 S C -0.080 174.577 174.600 0.095 0.000 1.361 602 S CA -0.356 57.853 58.200 0.014 0.000 1.009 602 S CB 0.497 63.682 63.200 -0.024 0.000 0.888 602 S HN 0.218 nan 8.310 nan 0.000 0.553 603 F N 2.373 122.279 119.950 -0.074 0.000 2.421 603 F HA 0.367 4.895 4.527 0.002 0.000 0.358 603 F C -0.238 175.531 175.800 -0.051 0.000 1.115 603 F CA -0.989 56.974 58.000 -0.062 0.000 1.160 603 F CB 0.345 39.312 39.000 -0.055 0.000 1.123 603 F HN 0.229 nan 8.300 nan 0.000 0.508 604 V N 5.409 125.127 119.914 -0.326 0.000 2.318 604 V HA 0.862 4.983 4.120 0.002 0.000 0.271 604 V C 0.342 176.102 176.094 -0.556 0.000 1.030 604 V CA 0.066 62.126 62.300 -0.400 0.000 0.844 604 V CB -0.073 31.482 31.823 -0.446 0.000 1.015 604 V HN 1.149 nan 8.190 nan 0.000 0.460 605 G N 3.944 112.519 108.800 -0.375 0.000 2.331 605 G HA2 0.192 4.153 3.960 0.002 0.000 0.479 605 G HA3 0.192 4.153 3.960 0.002 0.000 0.479 605 G C -1.319 173.457 174.900 -0.207 0.000 1.262 605 G CA -0.131 44.675 45.100 -0.489 0.000 1.029 605 G HN 1.907 nan 8.290 nan 0.000 0.487 606 W N -1.949 119.181 121.300 -0.283 0.000 3.059 606 W HA 0.765 5.426 4.660 0.002 0.000 0.329 606 W C -0.455 176.082 176.519 0.030 0.000 1.246 606 W CA -0.647 56.645 57.345 -0.089 0.000 1.190 606 W CB 1.181 30.641 29.460 0.000 0.000 1.423 606 W HN 1.371 nan 8.180 nan 0.000 0.571 607 S N 0.475 116.399 115.700 0.374 0.000 2.498 607 S HA 0.336 4.807 4.470 0.002 0.000 0.317 607 S C 1.016 175.835 174.600 0.364 0.000 1.090 607 S CA 0.146 58.522 58.200 0.292 0.000 1.089 607 S CB 1.004 64.354 63.200 0.251 0.000 0.997 607 S HN 0.805 nan 8.310 nan 0.000 0.470 608 T N 1.950 116.695 114.554 0.317 0.000 2.836 608 T HA -0.185 4.166 4.350 0.002 0.000 0.268 608 T C 1.038 175.864 174.700 0.210 0.000 1.080 608 T CA 1.829 64.094 62.100 0.274 0.000 1.128 608 T CB -0.405 68.587 68.868 0.206 0.000 0.839 608 T HN 0.597 nan 8.240 nan 0.000 0.507 609 D N -0.361 120.160 120.400 0.202 0.000 2.305 609 D HA 0.117 4.758 4.640 0.002 0.000 0.206 609 D C 0.139 176.519 176.300 0.133 0.000 0.974 609 D CA -0.261 53.823 54.000 0.140 0.000 0.871 609 D CB -0.052 40.824 40.800 0.126 0.000 0.947 609 D HN 0.617 nan 8.370 nan 0.000 0.516 610 W N 1.725 123.041 121.300 0.027 0.000 2.218 610 W HA 0.347 5.008 4.660 0.002 0.000 0.326 610 W C -0.187 176.280 176.519 -0.087 0.000 1.276 610 W CA -0.321 57.013 57.345 -0.020 0.000 1.210 610 W CB 0.609 30.084 29.460 0.024 0.000 1.143 610 W HN -0.153 nan 8.180 nan 0.000 0.563 611 S N 4.370 119.301 115.700 -1.281 0.000 2.546 611 S HA 0.474 4.945 4.470 0.002 0.000 0.274 611 S C -2.416 171.111 174.600 -1.788 0.000 1.121 611 S CA -1.348 55.994 58.200 -1.430 0.000 0.887 611 S CB 2.294 64.750 63.200 -1.241 0.000 1.094 611 S HN 0.338 nan 8.310 nan 0.000 0.474 612 P HA 0.105 nan 4.420 nan 0.000 0.242 612 P C -0.300 176.850 177.300 -0.250 0.000 1.197 612 P CA 0.561 63.286 63.100 -0.625 0.000 0.765 612 P CB -0.616 31.020 31.700 -0.107 0.000 0.936 613 Y N -2.391 117.698 120.300 -0.352 0.000 2.553 613 Y HA 0.771 5.322 4.550 0.002 0.000 0.369 613 Y C 0.484 176.277 175.900 -0.178 0.000 0.964 613 Y CA -2.059 55.920 58.100 -0.203 0.000 1.156 613 Y CB -0.711 37.646 38.460 -0.171 0.000 1.218 613 Y HN -0.025 nan 8.280 nan 0.000 0.630 614 A N 0.000 122.694 122.820 -0.210 0.000 2.254 614 A HA 0.000 4.321 4.320 0.002 0.000 0.244 614 A CA 0.000 51.941 52.037 -0.160 0.000 0.836 614 A CB 0.000 18.974 19.000 -0.044 0.000 0.831 614 A HN 0.000 nan 8.150 nan 0.000 0.486