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 5gpb_1_A DATA FIRST_RESID 10 DATA SEQUENCE RKQISVRGLA GVENVTELKK NFNRHLHFTL VKDRNVATPR DYYFALAHTV DATA SEQUENCE RDHLVGRWIR TQQHYYEKDP KRIYYLSLEF YMGRTLQNTM VNLALENACD DATA SEQUENCE EATYQLGLDM EELEEIEEDA GLGNGGLGRL AACFLDSMAT LGLAAYGYGI DATA SEQUENCE RYEFGIFNQK ICGGWQMEEA DDWLRYGNPW EKARPEFTLP VHFYGRVEHT DATA SEQUENCE SQGAKWVDTQ VVLAMPYDTP VPGYRNNVVN TMRLWSAKAP NDFNLKDFNV DATA SEQUENCE GGYIQAVLDR NLAENISRVL YPNDNFFEGK ELRLKQEYFV VAATLQDIIR DATA SEQUENCE RFKSSKFGCR DPVRTNFDAF PDKVAIQLND THPSLAIPEL MRVLVDLERL DATA SEQUENCE DWDKAWEVTV KTCAYTNHTV IPEALERWPV HLLETLLPRH LQIIYEINQR DATA SEQUENCE FLNRVAAAFP GDVDRLRRMS LVEEGAVKRI NMAHLCIAGS HAVNGVARIH DATA SEQUENCE SEILKKTIFK DFYELEPHKF QNKTNGITPR RWLVLCNPGL AEIIAERIGE DATA SEQUENCE EYISDLDQLR KLLSYVDDEA FIRDVAKVKQ ENKLKFAAYL EREYKVHINP DATA SEQUENCE NSLFDVQVKR IHEYKRQLLN CLHVITLYNR IKKEPNKFVV PRTVMIGGKA DATA SEQUENCE APGYHMAKMI IKLITAIGDV VNHDPVVGDR LRVIFLENYR VSLAEKVIPA DATA SEQUENCE ADLSEQISTA GTEASGTGNM KFMLNGALTI GTMDGANVEM AEEAGEENFF DATA SEQUENCE IFGMRVEDVD RLDQRGYNAQ EYYDRIPELR QIIEQLSSGF FSPKQPDLFK DATA SEQUENCE DIVNMLMHHD RFKVFADYEE YVKCQERVSA LYKNPREWTR MVIRNIATSG DATA SEQUENCE KFSSDRTIAQ YAREIWGVEP SRQRLPAPDE KIP 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 10 R HA 0.000 nan 4.340 nan 0.000 0.208 10 R C 0.000 176.301 176.300 0.002 0.000 0.893 10 R CA 0.000 56.107 56.100 0.012 0.000 0.921 10 R CB 0.000 30.308 30.300 0.013 0.000 0.687 11 K N -0.322 120.076 120.400 -0.004 0.000 2.960 11 K HA 0.396 4.708 4.320 -0.014 0.000 0.296 11 K C -2.195 174.393 176.600 -0.019 0.000 1.092 11 K CA -0.503 55.774 56.287 -0.017 0.000 0.847 11 K CB 1.128 33.617 32.500 -0.019 0.000 1.458 11 K HN 0.020 nan 8.250 nan 0.000 0.359 12 Q N 1.295 121.076 119.800 -0.032 0.000 2.805 12 Q HA 0.379 4.711 4.340 -0.014 0.000 0.257 12 Q C -0.821 175.154 176.000 -0.043 0.000 0.977 12 Q CA -0.080 55.706 55.803 -0.029 0.000 0.901 12 Q CB 1.568 30.294 28.738 -0.020 0.000 1.778 12 Q HN 0.675 nan 8.270 nan 0.000 0.441 13 I N -2.160 118.390 120.570 -0.034 0.000 3.814 13 I HA 0.418 4.580 4.170 -0.014 0.000 0.264 13 I C 0.637 176.740 176.117 -0.023 0.000 1.145 13 I CA 0.324 61.602 61.300 -0.037 0.000 1.375 13 I CB 0.797 38.775 38.000 -0.036 0.000 1.638 13 I HN 0.620 nan 8.210 nan 0.000 0.432 14 S N 0.002 115.694 115.700 -0.012 0.000 3.410 14 S HA -0.222 4.240 4.470 -0.014 0.000 0.640 14 S C -0.275 174.326 174.600 0.001 0.000 2.552 14 S CA 0.656 58.856 58.200 -0.001 0.000 2.728 14 S CB -0.487 62.713 63.200 -0.001 0.000 0.329 14 S HN 0.782 nan 8.310 nan 0.000 1.792 15 V N 3.741 123.662 119.914 0.011 0.000 2.204 15 V HA 0.438 4.550 4.120 -0.014 0.000 0.264 15 V C 0.702 176.803 176.094 0.011 0.000 1.106 15 V CA -0.314 61.992 62.300 0.010 0.000 0.947 15 V CB 0.026 31.860 31.823 0.019 0.000 1.164 15 V HN 0.633 nan 8.190 nan 0.000 0.461 16 R N 3.920 124.420 120.500 0.000 0.000 3.081 16 R HA 0.405 4.737 4.340 -0.014 0.000 0.280 16 R C 0.983 177.277 176.300 -0.010 0.000 1.372 16 R CA 0.485 56.583 56.100 -0.003 0.000 1.242 16 R CB 0.189 30.483 30.300 -0.011 0.000 1.316 16 R HN 0.844 nan 8.270 nan 0.000 0.585 17 G N 1.038 109.833 108.800 -0.009 0.000 2.750 17 G HA2 -0.292 3.659 3.960 -0.014 0.000 0.228 17 G HA3 -0.292 3.659 3.960 -0.014 0.000 0.228 17 G C -0.398 174.491 174.900 -0.019 0.000 1.367 17 G CA -0.867 44.221 45.100 -0.020 0.000 0.871 17 G HN 0.248 nan 8.290 nan 0.000 0.560 18 L N 0.463 121.673 121.223 -0.021 0.000 2.371 18 L HA 0.565 4.896 4.340 -0.014 0.000 0.272 18 L C 1.135 177.995 176.870 -0.018 0.000 1.124 18 L CA 0.045 54.874 54.840 -0.018 0.000 0.816 18 L CB 1.494 43.544 42.059 -0.015 0.000 1.129 18 L HN 1.139 nan 8.230 nan 0.000 0.448 19 A N 3.113 125.924 122.820 -0.015 0.000 3.047 19 A HA 0.538 4.850 4.320 -0.014 0.000 0.337 19 A C 0.308 177.889 177.584 -0.005 0.000 1.143 19 A CA -0.373 51.657 52.037 -0.012 0.000 0.905 19 A CB -0.066 18.926 19.000 -0.014 0.000 1.088 19 A HN 0.743 nan 8.150 nan 0.000 0.488 20 G N 0.149 108.948 108.800 -0.002 0.000 2.353 20 G HA2 0.421 4.372 3.960 -0.014 0.000 0.284 20 G HA3 0.421 4.372 3.960 -0.014 0.000 0.284 20 G C 1.012 175.918 174.900 0.010 0.000 1.172 20 G CA 0.052 45.154 45.100 0.003 0.000 0.854 20 G HN 0.523 nan 8.290 nan 0.000 0.485 21 V N 2.820 122.741 119.914 0.011 0.000 2.308 21 V HA -0.395 3.717 4.120 -0.014 0.000 0.251 21 V C 2.732 178.839 176.094 0.021 0.000 1.055 21 V CA 2.809 65.118 62.300 0.015 0.000 1.105 21 V CB -0.965 30.866 31.823 0.013 0.000 0.785 21 V HN 0.766 nan 8.190 nan 0.000 0.479 22 E N -0.129 120.085 120.200 0.023 0.000 2.058 22 E HA -0.197 4.145 4.350 -0.014 0.000 0.194 22 E C 2.009 178.633 176.600 0.041 0.000 0.997 22 E CA 1.850 58.268 56.400 0.030 0.000 0.801 22 E CB -0.454 29.264 29.700 0.029 0.000 0.746 22 E HN 0.722 nan 8.360 nan 0.000 0.450 23 N N -0.866 117.857 118.700 0.039 0.000 2.188 23 N HA -0.109 4.622 4.740 -0.014 0.000 0.184 23 N C 1.493 177.028 175.510 0.041 0.000 1.018 23 N CA 0.787 53.867 53.050 0.050 0.000 0.858 23 N CB 0.152 38.662 38.487 0.038 0.000 0.989 23 N HN -0.045 nan 8.380 nan 0.000 0.426 24 V N -0.071 119.859 119.914 0.026 0.000 2.407 24 V HA -0.230 3.882 4.120 -0.014 0.000 0.248 24 V C 2.018 178.133 176.094 0.035 0.000 1.055 24 V CA 1.848 64.161 62.300 0.021 0.000 1.049 24 V CB -0.838 30.995 31.823 0.017 0.000 0.662 24 V HN 0.428 nan 8.190 nan 0.000 0.455 25 T N -0.617 113.960 114.554 0.040 0.000 2.708 25 T HA -0.219 4.123 4.350 -0.014 0.000 0.266 25 T C 1.924 176.664 174.700 0.067 0.000 1.037 25 T CA 1.738 63.866 62.100 0.046 0.000 1.146 25 T CB -0.234 68.658 68.868 0.039 0.000 0.865 25 T HN 0.446 nan 8.240 nan 0.000 0.435 26 E N 0.773 121.020 120.200 0.078 0.000 2.070 26 E HA -0.116 4.225 4.350 -0.014 0.000 0.197 26 E C 1.955 178.641 176.600 0.143 0.000 1.004 26 E CA 0.874 57.338 56.400 0.106 0.000 0.805 26 E CB -0.594 29.178 29.700 0.120 0.000 0.744 26 E HN 0.197 nan 8.360 nan 0.000 0.451 27 L N 0.819 122.123 121.223 0.134 0.000 1.970 27 L HA -0.170 4.161 4.340 -0.014 0.000 0.212 27 L C 2.101 179.078 176.870 0.177 0.000 1.071 27 L CA 1.995 56.926 54.840 0.152 0.000 0.751 27 L CB -0.597 41.504 42.059 0.069 0.000 0.889 27 L HN 0.070 nan 8.230 nan 0.000 0.432 28 K N -0.749 119.720 120.400 0.115 0.000 2.103 28 K HA -0.206 4.105 4.320 -0.014 0.000 0.207 28 K C 2.001 178.723 176.600 0.205 0.000 1.048 28 K CA 1.517 57.877 56.287 0.123 0.000 0.930 28 K CB -0.148 32.379 32.500 0.044 0.000 0.716 28 K HN 0.311 nan 8.250 nan 0.000 0.444 29 K N 0.503 120.999 120.400 0.160 0.000 2.026 29 K HA -0.069 4.243 4.320 -0.014 0.000 0.208 29 K C 1.789 178.500 176.600 0.185 0.000 1.048 29 K CA 1.120 57.498 56.287 0.152 0.000 0.929 29 K CB -0.115 32.450 32.500 0.109 0.000 0.713 29 K HN 0.148 nan 8.250 nan 0.000 0.439 30 N N 0.348 119.174 118.700 0.210 0.000 2.396 30 N HA -0.104 4.628 4.740 -0.014 0.000 0.180 30 N C 1.567 177.279 175.510 0.336 0.000 1.028 30 N CA 0.705 53.889 53.050 0.223 0.000 0.893 30 N CB -0.028 38.614 38.487 0.259 0.000 0.967 30 N HN 0.101 nan 8.380 nan 0.000 0.440 31 F N 2.538 122.616 119.950 0.213 0.000 2.084 31 F HA -0.015 4.503 4.527 -0.014 0.000 0.296 31 F C 2.041 177.967 175.800 0.210 0.000 1.111 31 F CA 1.209 59.343 58.000 0.223 0.000 1.224 31 F CB -0.315 38.776 39.000 0.152 0.000 0.991 31 F HN -0.049 nan 8.300 nan 0.000 0.471 32 N N 0.440 119.338 118.700 0.329 0.000 2.289 32 N HA -0.167 4.564 4.740 -0.014 0.000 0.184 32 N C 2.082 177.660 175.510 0.113 0.000 1.016 32 N CA 0.660 53.825 53.050 0.191 0.000 0.872 32 N CB -0.380 38.231 38.487 0.208 0.000 0.973 32 N HN 0.295 nan 8.380 nan 0.000 0.433 33 R N 0.795 121.378 120.500 0.138 0.000 2.070 33 R HA -0.083 4.249 4.340 -0.014 0.000 0.233 33 R C 1.734 178.091 176.300 0.095 0.000 1.137 33 R CA 1.427 57.627 56.100 0.168 0.000 0.945 33 R CB -0.596 29.728 30.300 0.041 0.000 0.845 33 R HN 0.440 nan 8.270 nan 0.000 0.430 34 H N -0.116 118.992 119.070 0.064 0.000 2.389 34 H HA -0.102 4.445 4.556 -0.014 0.000 0.299 34 H C 1.799 177.071 175.328 -0.093 0.000 1.081 34 H CA 1.319 57.349 56.048 -0.029 0.000 1.345 34 H CB -0.044 29.675 29.762 -0.071 0.000 1.393 34 H HN 0.072 nan 8.280 nan 0.000 0.520 35 L N -0.135 121.066 121.223 -0.037 0.000 2.191 35 L HA -0.176 4.156 4.340 -0.014 0.000 0.212 35 L C 2.081 178.927 176.870 -0.040 0.000 1.103 35 L CA 1.582 56.357 54.840 -0.108 0.000 0.769 35 L CB -0.166 41.778 42.059 -0.192 0.000 0.908 35 L HN 0.305 nan 8.230 nan 0.000 0.438 36 H N -1.764 117.195 119.070 -0.186 0.000 2.334 36 H HA 0.073 4.621 4.556 -0.014 0.000 0.315 36 H C 1.769 176.839 175.328 -0.430 0.000 1.056 36 H CA 1.694 57.528 56.048 -0.357 0.000 1.418 36 H CB -0.334 29.108 29.762 -0.533 0.000 1.464 36 H HN 0.248 nan 8.280 nan 0.000 0.587 37 F N 0.100 119.971 119.950 -0.131 0.000 2.206 37 F HA -0.050 4.468 4.527 -0.014 0.000 0.298 37 F C 2.589 178.292 175.800 -0.161 0.000 1.090 37 F CA 1.575 59.449 58.000 -0.211 0.000 1.323 37 F CB -0.589 38.297 39.000 -0.190 0.000 1.028 37 F HN 0.156 nan 8.300 nan 0.000 0.492 38 T N -0.283 114.284 114.554 0.022 0.000 2.852 38 T HA -0.014 4.328 4.350 -0.014 0.000 0.256 38 T C 1.802 176.439 174.700 -0.106 0.000 1.038 38 T CA 0.848 62.906 62.100 -0.071 0.000 1.141 38 T CB -0.246 68.547 68.868 -0.124 0.000 0.869 38 T HN -0.032 nan 8.240 nan 0.000 0.439 39 L N 0.625 121.796 121.223 -0.087 0.000 2.354 39 L HA 0.276 4.607 4.340 -0.014 0.000 0.212 39 L C 0.857 177.670 176.870 -0.094 0.000 1.091 39 L CA 0.535 55.316 54.840 -0.098 0.000 0.828 39 L CB -0.344 41.662 42.059 -0.088 0.000 0.973 39 L HN 0.035 nan 8.230 nan 0.000 0.461 40 V N -0.310 119.545 119.914 -0.099 0.000 5.767 40 V HA -0.294 3.817 4.120 -0.014 0.000 0.311 40 V C 0.213 176.272 176.094 -0.058 0.000 0.532 40 V CA 0.820 63.060 62.300 -0.100 0.000 0.659 40 V CB -2.057 29.705 31.823 -0.102 0.000 0.353 40 V HN 0.399 nan 8.190 nan 0.000 1.082 41 K N 0.679 121.052 120.400 -0.046 0.000 2.426 41 K HA 0.695 5.007 4.320 -0.014 0.000 0.251 41 K C -0.554 176.016 176.600 -0.051 0.000 0.941 41 K CA -0.275 55.976 56.287 -0.061 0.000 0.808 41 K CB 2.242 34.678 32.500 -0.106 0.000 1.265 41 K HN 0.596 nan 8.250 nan 0.000 0.432 42 D N -0.098 120.266 120.400 -0.060 0.000 2.423 42 D HA 0.359 4.990 4.640 -0.014 0.000 0.235 42 D C 0.461 176.733 176.300 -0.046 0.000 1.011 42 D CA -0.670 53.285 54.000 -0.074 0.000 0.963 42 D CB 1.169 41.922 40.800 -0.079 0.000 1.349 42 D HN 0.174 nan 8.370 nan 0.000 0.508 43 R N 0.927 121.420 120.500 -0.010 0.000 2.154 43 R HA -0.129 4.203 4.340 -0.014 0.000 0.248 43 R C 1.063 177.408 176.300 0.075 0.000 1.155 43 R CA 1.115 57.262 56.100 0.078 0.000 0.979 43 R CB -1.086 29.265 30.300 0.085 0.000 0.869 43 R HN 0.611 nan 8.270 nan 0.000 0.452 44 N N 0.528 119.245 118.700 0.028 0.000 2.457 44 N HA -0.062 4.669 4.740 -0.014 0.000 0.180 44 N C 1.407 176.929 175.510 0.020 0.000 1.050 44 N CA 1.285 54.351 53.050 0.028 0.000 0.906 44 N CB 0.506 38.999 38.487 0.011 0.000 0.968 44 N HN 0.214 nan 8.380 nan 0.000 0.445 45 V N -3.180 116.733 119.914 -0.003 0.000 3.432 45 V HA 0.495 4.607 4.120 -0.014 0.000 0.298 45 V C 0.650 176.711 176.094 -0.055 0.000 1.464 45 V CA -0.484 61.806 62.300 -0.017 0.000 1.046 45 V CB -0.006 31.804 31.823 -0.022 0.000 0.887 45 V HN -0.004 nan 8.190 nan 0.000 0.441 46 A N 2.487 125.237 122.820 -0.117 0.000 2.354 46 A HA 0.620 4.932 4.320 -0.014 0.000 0.281 46 A C 0.790 178.206 177.584 -0.279 0.000 1.174 46 A CA 0.584 52.446 52.037 -0.293 0.000 0.828 46 A CB -0.215 18.424 19.000 -0.601 0.000 1.099 46 A HN 0.730 nan 8.150 nan 0.000 0.516 47 T N 1.020 115.483 114.554 -0.153 0.000 2.788 47 T HA 0.399 4.740 4.350 -0.014 0.000 0.280 47 T C -1.951 172.795 174.700 0.077 0.000 0.984 47 T CA -1.439 60.661 62.100 0.000 0.000 0.972 47 T CB 0.418 69.305 68.868 0.032 0.000 1.039 47 T HN 0.275 nan 8.240 nan 0.000 0.530 48 P HA -0.030 nan 4.420 nan 0.000 0.219 48 P C 1.565 179.018 177.300 0.255 0.000 1.146 48 P CA 0.791 64.080 63.100 0.315 0.000 0.808 48 P CB 0.060 31.880 31.700 0.199 0.000 0.779 49 R N -0.298 120.299 120.500 0.161 0.000 2.115 49 R HA -0.090 4.242 4.340 -0.014 0.000 0.226 49 R C 1.555 178.049 176.300 0.324 0.000 1.100 49 R CA 1.451 57.676 56.100 0.209 0.000 0.980 49 R CB -0.445 29.909 30.300 0.090 0.000 0.875 49 R HN 0.085 nan 8.270 nan 0.000 0.445 50 D N -0.638 119.848 120.400 0.143 0.000 2.123 50 D HA -0.154 4.478 4.640 -0.014 0.000 0.200 50 D C 1.550 177.862 176.300 0.019 0.000 0.976 50 D CA 1.168 55.195 54.000 0.044 0.000 0.831 50 D CB -0.281 40.407 40.800 -0.188 0.000 0.974 50 D HN 0.252 nan 8.370 nan 0.000 0.469 51 Y N 0.244 120.644 120.300 0.168 0.000 2.181 51 Y HA -0.216 4.325 4.550 -0.014 0.000 0.288 51 Y C 2.342 178.375 175.900 0.221 0.000 1.146 51 Y CA 0.444 58.685 58.100 0.235 0.000 1.164 51 Y CB -1.012 37.637 38.460 0.315 0.000 0.982 51 Y HN 0.052 nan 8.280 nan 0.000 0.515 52 Y N -0.482 119.967 120.300 0.248 0.000 2.128 52 Y HA -0.304 4.238 4.550 -0.014 0.000 0.284 52 Y C 1.933 177.816 175.900 -0.029 0.000 1.154 52 Y CA 1.389 59.529 58.100 0.066 0.000 1.149 52 Y CB -1.043 37.354 38.460 -0.105 0.000 0.976 52 Y HN 0.055 nan 8.280 nan 0.000 0.505 53 F N -0.120 119.584 119.950 -0.411 0.000 2.259 53 F HA -0.041 4.478 4.527 -0.014 0.000 0.298 53 F C 2.596 178.218 175.800 -0.297 0.000 1.088 53 F CA 1.160 58.871 58.000 -0.483 0.000 1.358 53 F CB -1.006 37.906 39.000 -0.147 0.000 1.040 53 F HN 0.166 nan 8.300 nan 0.000 0.505 54 A N -0.171 122.609 122.820 -0.068 0.000 1.877 54 A HA -0.178 4.134 4.320 -0.014 0.000 0.216 54 A C 2.113 179.611 177.584 -0.144 0.000 1.186 54 A CA 1.648 53.555 52.037 -0.216 0.000 0.620 54 A CB -1.053 17.512 19.000 -0.725 0.000 0.822 54 A HN 0.334 nan 8.150 nan 0.000 0.443 55 L N -0.397 120.861 121.223 0.058 0.000 2.027 55 L HA 0.013 4.344 4.340 -0.014 0.000 0.206 55 L C 2.760 179.605 176.870 -0.043 0.000 1.074 55 L CA 2.031 56.995 54.840 0.206 0.000 0.745 55 L CB -0.809 41.426 42.059 0.293 0.000 0.898 55 L HN 0.355 nan 8.230 nan 0.000 0.433 56 A N -1.216 121.409 122.820 -0.325 0.000 1.903 56 A HA -0.309 4.003 4.320 -0.014 0.000 0.219 56 A C 2.263 179.474 177.584 -0.621 0.000 1.191 56 A CA 2.115 53.855 52.037 -0.494 0.000 0.638 56 A CB -1.069 17.331 19.000 -1.001 0.000 0.823 56 A HN 0.665 nan 8.150 nan 0.000 0.451 57 H N -0.811 117.965 119.070 -0.490 0.000 2.423 57 H HA -0.045 4.503 4.556 -0.014 0.000 0.297 57 H C 2.147 177.160 175.328 -0.526 0.000 1.075 57 H CA 1.802 57.482 56.048 -0.614 0.000 1.342 57 H CB -0.311 28.907 29.762 -0.907 0.000 1.395 57 H HN 0.501 nan 8.280 nan 0.000 0.530 58 T N 0.083 114.539 114.554 -0.163 0.000 2.942 58 T HA -0.021 4.320 4.350 -0.014 0.000 0.265 58 T C 2.357 177.218 174.700 0.269 0.000 1.062 58 T CA 0.650 62.852 62.100 0.170 0.000 1.139 58 T CB -0.082 68.956 68.868 0.283 0.000 0.883 58 T HN 0.069 nan 8.240 nan 0.000 0.468 59 V N 2.687 122.702 119.914 0.170 0.000 2.453 59 V HA -0.123 3.989 4.120 -0.014 0.000 0.247 59 V C 2.551 178.823 176.094 0.296 0.000 1.048 59 V CA 1.600 64.034 62.300 0.223 0.000 1.049 59 V CB -0.489 31.484 31.823 0.250 0.000 0.672 59 V HN 0.475 nan 8.190 nan 0.000 0.457 60 R N 0.545 121.166 120.500 0.201 0.000 2.235 60 R HA -0.051 4.281 4.340 -0.014 0.000 0.213 60 R C 1.412 177.826 176.300 0.191 0.000 1.059 60 R CA 1.371 57.605 56.100 0.224 0.000 0.997 60 R CB -1.053 29.278 30.300 0.051 0.000 0.884 60 R HN 0.335 nan 8.270 nan 0.000 0.462 61 D N 0.885 121.400 120.400 0.191 0.000 2.144 61 D HA -0.139 4.492 4.640 -0.014 0.000 0.199 61 D C 1.084 177.413 176.300 0.048 0.000 0.984 61 D CA 1.186 55.267 54.000 0.135 0.000 0.834 61 D CB -0.278 40.605 40.800 0.139 0.000 0.955 61 D HN 0.510 nan 8.370 nan 0.000 0.465 62 H N -0.698 118.437 119.070 0.109 0.000 2.553 62 H HA 0.045 4.592 4.556 -0.014 0.000 0.269 62 H C 1.415 176.788 175.328 0.074 0.000 1.011 62 H CA 0.151 56.249 56.048 0.082 0.000 1.150 62 H CB 0.674 30.477 29.762 0.068 0.000 1.339 62 H HN 0.101 nan 8.280 nan 0.000 0.604 63 L N 0.213 121.536 121.223 0.166 0.000 2.653 63 L HA -0.006 4.326 4.340 -0.014 0.000 0.230 63 L C 2.270 179.257 176.870 0.194 0.000 1.055 63 L CA 0.353 55.275 54.840 0.138 0.000 0.880 63 L CB -0.104 42.033 42.059 0.131 0.000 1.195 63 L HN -0.003 nan 8.230 nan 0.000 0.492 64 V N -2.248 117.804 119.914 0.231 0.000 2.490 64 V HA 0.014 4.126 4.120 -0.014 0.000 0.250 64 V C 2.290 178.498 176.094 0.190 0.000 1.061 64 V CA 1.672 64.152 62.300 0.301 0.000 1.064 64 V CB -2.158 29.797 31.823 0.219 0.000 0.670 64 V HN 0.348 nan 8.190 nan 0.000 0.461 65 G N 0.419 109.282 108.800 0.106 0.000 2.459 65 G HA2 -0.259 3.693 3.960 -0.014 0.000 0.217 65 G HA3 -0.259 3.693 3.960 -0.014 0.000 0.217 65 G C 1.774 176.713 174.900 0.065 0.000 1.183 65 G CA 1.105 46.239 45.100 0.058 0.000 0.776 65 G HN 0.494 nan 8.290 nan 0.000 0.552 66 R N -1.379 119.167 120.500 0.076 0.000 2.091 66 R HA -0.116 4.216 4.340 -0.014 0.000 0.238 66 R C 2.285 178.658 176.300 0.121 0.000 1.136 66 R CA 1.343 57.478 56.100 0.059 0.000 0.959 66 R CB -0.427 29.894 30.300 0.035 0.000 0.856 66 R HN 0.502 nan 8.270 nan 0.000 0.437 67 W N 1.504 122.782 121.300 -0.038 0.000 2.338 67 W HA -0.125 4.527 4.660 -0.014 0.000 0.304 67 W C 1.701 178.190 176.519 -0.051 0.000 1.212 67 W CA 1.061 58.381 57.345 -0.042 0.000 1.264 67 W CB -0.561 28.892 29.460 -0.012 0.000 1.142 67 W HN 0.012 nan 8.180 nan 0.000 0.512 68 I N 0.772 121.396 120.570 0.091 0.000 2.286 68 I HA -0.300 3.861 4.170 -0.014 0.000 0.245 68 I C 2.733 178.827 176.117 -0.037 0.000 1.104 68 I CA 1.829 63.088 61.300 -0.069 0.000 1.397 68 I CB -0.526 37.433 38.000 -0.068 0.000 1.072 68 I HN -0.027 nan 8.210 nan 0.000 0.417 69 R N 0.252 120.748 120.500 -0.006 0.000 2.090 69 R HA -0.068 4.264 4.340 -0.014 0.000 0.228 69 R C 1.958 178.224 176.300 -0.057 0.000 1.110 69 R CA 1.602 57.691 56.100 -0.019 0.000 0.973 69 R CB -1.161 29.131 30.300 -0.014 0.000 0.869 69 R HN 0.125 nan 8.270 nan 0.000 0.440 70 T N 1.601 116.094 114.554 -0.101 0.000 2.684 70 T HA -0.115 4.227 4.350 -0.014 0.000 0.267 70 T C 1.794 176.241 174.700 -0.422 0.000 1.036 70 T CA 1.531 63.461 62.100 -0.284 0.000 1.148 70 T CB -0.133 68.637 68.868 -0.164 0.000 0.863 70 T HN 0.275 nan 8.240 nan 0.000 0.436 71 Q N 0.755 120.463 119.800 -0.153 0.000 2.119 71 Q HA -0.039 4.293 4.340 -0.014 0.000 0.201 71 Q C 2.305 178.312 176.000 0.011 0.000 0.972 71 Q CA 1.166 56.943 55.803 -0.044 0.000 0.847 71 Q CB -0.531 28.216 28.738 0.016 0.000 0.903 71 Q HN 0.482 nan 8.270 nan 0.000 0.433 72 Q N 0.127 119.921 119.800 -0.009 0.000 2.172 72 Q HA -0.156 4.176 4.340 -0.014 0.000 0.200 72 Q C 1.846 177.915 176.000 0.115 0.000 0.964 72 Q CA 1.692 57.519 55.803 0.040 0.000 0.855 72 Q CB -0.320 28.418 28.738 -0.001 0.000 0.918 72 Q HN 0.573 nan 8.270 nan 0.000 0.444 73 H N -0.929 118.109 119.070 -0.055 0.000 2.289 73 H HA -0.201 4.346 4.556 -0.014 0.000 0.296 73 H C 1.071 176.431 175.328 0.054 0.000 1.091 73 H CA 2.457 58.472 56.048 -0.055 0.000 1.274 73 H CB -0.273 29.371 29.762 -0.197 0.000 1.364 73 H HN 0.354 nan 8.280 nan 0.000 0.490 74 Y N -1.039 119.354 120.300 0.156 0.000 2.274 74 Y HA -0.186 4.355 4.550 -0.014 0.000 0.290 74 Y C 2.445 178.414 175.900 0.115 0.000 1.145 74 Y CA 1.044 59.210 58.100 0.110 0.000 1.203 74 Y CB -1.292 37.278 38.460 0.183 0.000 0.984 74 Y HN 0.378 nan 8.280 nan 0.000 0.533 75 Y N 1.173 121.566 120.300 0.154 0.000 2.145 75 Y HA -0.224 4.317 4.550 -0.014 0.000 0.286 75 Y C 2.114 178.040 175.900 0.042 0.000 1.145 75 Y CA 1.920 60.081 58.100 0.101 0.000 1.148 75 Y CB -0.259 38.250 38.460 0.082 0.000 0.981 75 Y HN 0.176 nan 8.280 nan 0.000 0.507 76 E N -0.182 120.078 120.200 0.100 0.000 2.031 76 E HA -0.199 4.142 4.350 -0.014 0.000 0.193 76 E C 2.027 178.568 176.600 -0.097 0.000 0.994 76 E CA 1.426 57.806 56.400 -0.033 0.000 0.800 76 E CB -0.067 29.628 29.700 -0.008 0.000 0.752 76 E HN 0.307 nan 8.360 nan 0.000 0.447 77 K N 0.731 121.054 120.400 -0.128 0.000 2.076 77 K HA -0.061 4.251 4.320 -0.014 0.000 0.204 77 K C 0.155 176.743 176.600 -0.020 0.000 1.051 77 K CA 0.863 57.097 56.287 -0.088 0.000 0.949 77 K CB -0.602 31.821 32.500 -0.130 0.000 0.726 77 K HN 0.178 nan 8.250 nan 0.000 0.443 78 D N 0.613 121.028 120.400 0.025 0.000 3.278 78 D HA -0.105 4.527 4.640 -0.014 0.000 0.233 78 D C -2.550 173.775 176.300 0.042 0.000 1.149 78 D CA -0.061 53.967 54.000 0.047 0.000 0.957 78 D CB -0.311 40.483 40.800 -0.009 0.000 0.913 78 D HN 0.084 nan 8.370 nan 0.000 0.409 79 P HA 0.158 nan 4.420 nan 0.000 0.277 79 P C -0.330 176.965 177.300 -0.008 0.000 1.276 79 P CA -0.735 62.371 63.100 0.011 0.000 0.788 79 P CB 0.470 32.159 31.700 -0.018 0.000 1.114 80 K N 0.655 121.045 120.400 -0.018 0.000 2.326 80 K HA 0.187 4.498 4.320 -0.014 0.000 0.275 80 K C -0.271 176.258 176.600 -0.118 0.000 1.018 80 K CA 0.004 56.264 56.287 -0.045 0.000 0.962 80 K CB 0.265 32.755 32.500 -0.017 0.000 0.953 80 K HN 0.164 nan 8.250 nan 0.000 0.475 81 R N 3.488 123.884 120.500 -0.173 0.000 2.494 81 R HA 0.410 4.741 4.340 -0.014 0.000 0.305 81 R C -1.009 174.992 176.300 -0.498 0.000 0.959 81 R CA -0.748 55.166 56.100 -0.311 0.000 0.864 81 R CB 1.003 31.135 30.300 -0.280 0.000 1.159 81 R HN 0.520 nan 8.270 nan 0.000 0.446 82 I N 4.577 124.814 120.570 -0.555 0.000 2.321 82 I HA 0.250 4.411 4.170 -0.014 0.000 0.291 82 I C -0.571 175.224 176.117 -0.537 0.000 0.998 82 I CA -1.173 59.754 61.300 -0.622 0.000 1.227 82 I CB 0.542 38.072 38.000 -0.782 0.000 1.368 82 I HN 0.476 nan 8.210 nan 0.000 0.466 83 Y N 6.191 126.462 120.300 -0.047 0.000 2.356 83 Y HA 0.310 4.852 4.550 -0.014 0.000 0.334 83 Y C -0.388 175.617 175.900 0.174 0.000 0.958 83 Y CA -0.763 57.420 58.100 0.139 0.000 1.196 83 Y CB 1.119 39.596 38.460 0.029 0.000 1.137 83 Y HN 0.417 nan 8.280 nan 0.000 0.485 84 Y N 4.592 125.083 120.300 0.319 0.000 2.504 84 Y HA 0.502 5.044 4.550 -0.014 0.000 0.339 84 Y C -1.269 174.891 175.900 0.433 0.000 0.974 84 Y CA -0.985 57.301 58.100 0.310 0.000 1.232 84 Y CB 0.364 39.002 38.460 0.298 0.000 1.108 84 Y HN 0.535 nan 8.280 nan 0.000 0.509 85 L N 5.147 126.450 121.223 0.132 0.000 2.265 85 L HA 0.455 4.787 4.340 -0.014 0.000 0.288 85 L C -0.179 176.712 176.870 0.034 0.000 1.058 85 L CA 0.267 55.218 54.840 0.186 0.000 0.809 85 L CB 1.172 43.300 42.059 0.114 0.000 1.179 85 L HN 0.590 nan 8.230 nan 0.000 0.429 86 S N 2.657 118.454 115.700 0.162 0.000 2.541 86 S HA 0.489 4.951 4.470 -0.014 0.000 0.271 86 S C 0.222 174.918 174.600 0.161 0.000 1.133 86 S CA -0.551 57.649 58.200 0.001 0.000 0.876 86 S CB 1.077 64.064 63.200 -0.355 0.000 1.105 86 S HN 0.490 nan 8.310 nan 0.000 0.470 87 L N 2.688 124.039 121.223 0.213 0.000 2.591 87 L HA 0.460 4.792 4.340 -0.014 0.000 0.228 87 L C 0.447 177.508 176.870 0.318 0.000 1.133 87 L CA 0.912 55.932 54.840 0.300 0.000 0.880 87 L CB -0.003 42.233 42.059 0.296 0.000 1.033 87 L HN 0.659 nan 8.230 nan 0.000 0.450 88 E N -1.524 118.753 120.200 0.129 0.000 2.317 88 E HA 0.440 4.781 4.350 -0.014 0.000 0.270 88 E C -1.473 175.077 176.600 -0.083 0.000 0.885 88 E CA -0.585 55.879 56.400 0.107 0.000 0.760 88 E CB 2.130 31.844 29.700 0.023 0.000 1.227 88 E HN -0.205 nan 8.360 nan 0.000 0.434 89 F N 2.042 122.073 119.950 0.135 0.000 2.941 89 F HA 0.183 4.701 4.527 -0.014 0.000 0.359 89 F C -1.190 174.673 175.800 0.105 0.000 1.231 89 F CA -0.606 57.470 58.000 0.127 0.000 1.089 89 F CB 0.967 40.040 39.000 0.123 0.000 1.407 89 F HN 0.438 nan 8.300 nan 0.000 0.538 90 Y N 5.444 125.820 120.300 0.127 0.000 2.802 90 Y HA 0.276 4.818 4.550 -0.013 0.000 0.330 90 Y C 0.870 176.790 175.900 0.033 0.000 1.193 90 Y CA -1.112 57.012 58.100 0.040 0.000 1.427 90 Y CB 0.523 38.990 38.460 0.012 0.000 1.357 90 Y HN 0.511 nan 8.280 nan 0.000 0.501 91 M N 1.310 121.037 119.600 0.211 0.000 2.388 91 M HA 0.129 4.601 4.480 -0.014 0.000 0.265 91 M C 1.596 177.877 176.300 -0.032 0.000 1.088 91 M CA 0.999 56.336 55.300 0.061 0.000 1.134 91 M CB -1.176 31.432 32.600 0.013 0.000 1.384 91 M HN 0.706 nan 8.290 nan 0.000 0.447 92 G N 1.558 110.350 108.800 -0.013 0.000 2.547 92 G HA2 -0.281 3.671 3.960 -0.014 0.000 0.271 92 G HA3 -0.281 3.671 3.960 -0.014 0.000 0.271 92 G C -0.181 174.658 174.900 -0.100 0.000 1.209 92 G CA -0.089 44.949 45.100 -0.103 0.000 0.959 92 G HN 0.468 nan 8.290 nan 0.000 0.563 93 R N -0.887 119.527 120.500 -0.143 0.000 2.674 93 R HA 0.692 5.024 4.340 -0.014 0.000 0.266 93 R C 0.686 176.853 176.300 -0.221 0.000 1.016 93 R CA -0.097 55.928 56.100 -0.125 0.000 1.062 93 R CB 1.105 31.339 30.300 -0.111 0.000 1.142 93 R HN 0.469 nan 8.270 nan 0.000 0.517 94 T N 0.449 114.817 114.554 -0.310 0.000 2.971 94 T HA 0.012 4.354 4.350 -0.014 0.000 0.252 94 T C 1.363 175.659 174.700 -0.673 0.000 1.022 94 T CA -0.129 61.591 62.100 -0.634 0.000 0.980 94 T CB 0.185 68.351 68.868 -1.170 0.000 1.044 94 T HN 0.293 nan 8.240 nan 0.000 0.501 95 L N 1.847 122.896 121.223 -0.290 0.000 1.988 95 L HA 0.045 4.377 4.340 -0.014 0.000 0.207 95 L C 2.508 179.311 176.870 -0.112 0.000 1.071 95 L CA 1.993 56.783 54.840 -0.084 0.000 0.744 95 L CB -0.614 41.601 42.059 0.261 0.000 0.893 95 L HN 0.146 nan 8.230 nan 0.000 0.433 96 Q N -0.664 119.081 119.800 -0.092 0.000 2.084 96 Q HA -0.257 4.075 4.340 -0.014 0.000 0.202 96 Q C 2.227 178.144 176.000 -0.138 0.000 0.978 96 Q CA 1.915 57.663 55.803 -0.092 0.000 0.844 96 Q CB -0.336 28.347 28.738 -0.091 0.000 0.898 96 Q HN 0.677 nan 8.270 nan 0.000 0.426 97 N N -1.099 117.481 118.700 -0.199 0.000 2.149 97 N HA -0.154 4.578 4.740 -0.014 0.000 0.188 97 N C 1.238 176.637 175.510 -0.185 0.000 1.019 97 N CA 1.777 54.705 53.050 -0.205 0.000 0.857 97 N CB 0.063 38.397 38.487 -0.256 0.000 0.997 97 N HN 0.244 nan 8.380 nan 0.000 0.426 98 T N 0.980 115.389 114.554 -0.242 0.000 2.857 98 T HA 0.012 4.353 4.350 -0.014 0.000 0.266 98 T C 2.016 176.654 174.700 -0.102 0.000 1.048 98 T CA 0.801 62.779 62.100 -0.203 0.000 1.139 98 T CB -0.004 68.665 68.868 -0.331 0.000 0.874 98 T HN 0.261 nan 8.240 nan 0.000 0.455 99 M N 0.593 120.144 119.600 -0.081 0.000 2.159 99 M HA -0.073 4.399 4.480 -0.014 0.000 0.263 99 M C 2.396 178.669 176.300 -0.046 0.000 1.063 99 M CA 1.162 56.432 55.300 -0.050 0.000 1.110 99 M CB -0.587 31.992 32.600 -0.036 0.000 1.374 99 M HN 0.085 nan 8.290 nan 0.000 0.411 100 V N 0.930 120.821 119.914 -0.038 0.000 2.261 100 V HA -0.263 3.849 4.120 -0.014 0.000 0.246 100 V C 1.722 177.841 176.094 0.042 0.000 1.047 100 V CA 2.021 64.330 62.300 0.016 0.000 1.015 100 V CB -0.856 30.977 31.823 0.015 0.000 0.642 100 V HN 0.465 nan 8.190 nan 0.000 0.446 101 N N -0.253 118.457 118.700 0.017 0.000 2.459 101 N HA -0.043 4.689 4.740 -0.014 0.000 0.181 101 N C 1.113 176.546 175.510 -0.128 0.000 1.046 101 N CA 0.691 53.734 53.050 -0.011 0.000 0.904 101 N CB -0.113 38.372 38.487 -0.004 0.000 0.964 101 N HN 0.286 nan 8.380 nan 0.000 0.444 102 L N -0.507 120.659 121.223 -0.095 0.000 2.590 102 L HA 0.399 4.731 4.340 -0.014 0.000 0.227 102 L C 0.722 177.533 176.870 -0.099 0.000 1.099 102 L CA -0.055 54.732 54.840 -0.089 0.000 0.872 102 L CB -0.566 41.471 42.059 -0.038 0.000 1.088 102 L HN 0.114 nan 8.230 nan 0.000 0.479 103 A N -0.678 122.082 122.820 -0.101 0.000 2.996 103 A HA -0.207 4.105 4.320 -0.014 0.000 0.257 103 A C 1.170 178.717 177.584 -0.062 0.000 1.394 103 A CA 1.043 53.030 52.037 -0.085 0.000 0.820 103 A CB -2.093 16.844 19.000 -0.106 0.000 1.054 103 A HN 0.287 nan 8.150 nan 0.000 0.619 104 L N -0.902 120.283 121.223 -0.063 0.000 2.616 104 L HA 0.091 4.422 4.340 -0.014 0.000 0.229 104 L C 2.206 179.045 176.870 -0.053 0.000 1.110 104 L CA 0.361 55.158 54.840 -0.072 0.000 0.884 104 L CB -0.162 41.833 42.059 -0.107 0.000 1.115 104 L HN 0.488 nan 8.230 nan 0.000 0.481 105 E N 1.035 121.212 120.200 -0.039 0.000 2.108 105 E HA -0.263 4.078 4.350 -0.014 0.000 0.203 105 E C 1.366 177.951 176.600 -0.025 0.000 1.022 105 E CA 1.527 57.910 56.400 -0.028 0.000 0.823 105 E CB 0.037 29.724 29.700 -0.022 0.000 0.744 105 E HN 0.460 nan 8.360 nan 0.000 0.456 106 N N -0.519 118.165 118.700 -0.027 0.000 2.395 106 N HA 0.015 4.746 4.740 -0.014 0.000 0.175 106 N C 1.437 176.932 175.510 -0.024 0.000 1.029 106 N CA 0.911 53.946 53.050 -0.025 0.000 0.897 106 N CB -0.012 38.461 38.487 -0.024 0.000 0.991 106 N HN 0.116 nan 8.380 nan 0.000 0.441 107 A N 0.112 122.915 122.820 -0.030 0.000 1.897 107 A HA -0.083 4.229 4.320 -0.014 0.000 0.215 107 A C 2.365 179.933 177.584 -0.028 0.000 1.181 107 A CA 1.043 53.064 52.037 -0.027 0.000 0.620 107 A CB -0.824 18.154 19.000 -0.037 0.000 0.821 107 A HN 0.417 nan 8.150 nan 0.000 0.443 108 C N -0.419 118.858 119.300 -0.038 0.000 2.432 108 C HA -0.021 4.430 4.460 -0.014 0.000 0.282 108 C C 2.252 177.227 174.990 -0.025 0.000 1.388 108 C CA 0.771 59.770 59.018 -0.032 0.000 1.777 108 C CB -1.091 26.636 27.740 -0.021 0.000 1.882 108 C HN 0.600 nan 8.230 nan 0.000 0.520 109 D N 0.801 121.193 120.400 -0.014 0.000 2.137 109 D HA -0.088 4.544 4.640 -0.014 0.000 0.202 109 D C 2.197 178.514 176.300 0.028 0.000 0.970 109 D CA 1.174 55.174 54.000 -0.001 0.000 0.837 109 D CB -0.127 40.668 40.800 -0.009 0.000 0.981 109 D HN 0.396 nan 8.370 nan 0.000 0.475 110 E N 0.868 121.081 120.200 0.022 0.000 2.007 110 E HA -0.073 4.269 4.350 -0.014 0.000 0.194 110 E C 1.944 178.587 176.600 0.071 0.000 0.999 110 E CA 1.694 58.133 56.400 0.065 0.000 0.811 110 E CB -0.722 28.995 29.700 0.029 0.000 0.762 110 E HN 0.136 nan 8.360 nan 0.000 0.450 111 A N -0.360 122.462 122.820 0.003 0.000 1.929 111 A HA -0.322 3.990 4.320 -0.014 0.000 0.221 111 A C 2.515 180.017 177.584 -0.136 0.000 1.211 111 A CA 2.895 54.901 52.037 -0.052 0.000 0.657 111 A CB -1.425 17.540 19.000 -0.059 0.000 0.827 111 A HN 0.432 nan 8.150 nan 0.000 0.462 112 T N -2.311 112.157 114.554 -0.143 0.000 2.904 112 T HA -0.057 4.285 4.350 -0.014 0.000 0.267 112 T C 1.715 176.324 174.700 -0.153 0.000 1.059 112 T CA 1.364 63.329 62.100 -0.224 0.000 1.137 112 T CB -0.323 68.452 68.868 -0.155 0.000 0.879 112 T HN 0.590 nan 8.240 nan 0.000 0.467 113 Y N 2.410 122.633 120.300 -0.130 0.000 2.089 113 Y HA -0.048 4.494 4.550 -0.013 0.000 0.282 113 Y C 1.398 177.238 175.900 -0.100 0.000 1.139 113 Y CA 1.186 59.227 58.100 -0.097 0.000 1.123 113 Y CB -0.393 38.026 38.460 -0.068 0.000 0.980 113 Y HN 0.160 nan 8.280 nan 0.000 0.493 114 Q N 0.594 120.250 119.800 -0.241 0.000 3.179 114 Q HA 0.246 4.578 4.340 -0.014 0.000 0.328 114 Q C -0.395 175.475 176.000 -0.217 0.000 1.336 114 Q CA 0.204 55.855 55.803 -0.255 0.000 0.939 114 Q CB 0.095 28.796 28.738 -0.062 0.000 1.658 114 Q HN 0.484 nan 8.270 nan 0.000 0.486 115 L N -1.691 119.363 121.223 -0.282 0.000 5.272 115 L HA 0.182 4.514 4.340 -0.014 0.000 0.533 115 L C 0.679 177.380 176.870 -0.281 0.000 0.790 115 L CA 1.171 55.860 54.840 -0.251 0.000 2.159 115 L CB 0.365 42.224 42.059 -0.334 0.000 1.843 115 L HN 0.364 nan 8.230 nan 0.000 0.594 116 G N 1.078 109.682 108.800 -0.327 0.000 2.137 116 G HA2 -0.234 3.718 3.960 -0.014 0.000 0.237 116 G HA3 -0.234 3.718 3.960 -0.014 0.000 0.237 116 G C -0.040 174.713 174.900 -0.246 0.000 1.002 116 G CA 0.644 45.568 45.100 -0.294 0.000 0.702 116 G HN 0.319 nan 8.290 nan 0.000 0.515 117 L N -0.550 120.520 121.223 -0.255 0.000 2.304 117 L HA 0.788 5.120 4.340 -0.014 0.000 0.268 117 L C -0.112 176.698 176.870 -0.100 0.000 1.010 117 L CA -1.178 53.538 54.840 -0.207 0.000 0.813 117 L CB 1.547 43.431 42.059 -0.292 0.000 1.315 117 L HN 0.109 nan 8.230 nan 0.000 0.445 118 D N -0.042 120.331 120.400 -0.045 0.000 2.308 118 D HA 0.327 4.959 4.640 -0.014 0.000 0.242 118 D C 0.734 177.041 176.300 0.013 0.000 1.059 118 D CA -0.426 53.576 54.000 0.002 0.000 0.830 118 D CB 1.350 42.162 40.800 0.021 0.000 1.161 118 D HN 0.415 nan 8.370 nan 0.000 0.494 119 M N 1.943 121.553 119.600 0.017 0.000 2.082 119 M HA -0.169 4.302 4.480 -0.014 0.000 0.258 119 M C 1.417 177.742 176.300 0.041 0.000 1.069 119 M CA 1.686 57.005 55.300 0.032 0.000 1.102 119 M CB -0.229 32.385 32.600 0.024 0.000 1.336 119 M HN 0.616 nan 8.290 nan 0.000 0.404 120 E N -0.090 120.127 120.200 0.029 0.000 2.153 120 E HA -0.208 4.133 4.350 -0.014 0.000 0.194 120 E C 1.776 178.394 176.600 0.030 0.000 0.988 120 E CA 1.132 57.547 56.400 0.025 0.000 0.811 120 E CB -0.129 29.584 29.700 0.022 0.000 0.746 120 E HN 0.613 nan 8.360 nan 0.000 0.466 121 E N 0.403 120.625 120.200 0.037 0.000 2.051 121 E HA -0.197 4.145 4.350 -0.014 0.000 0.192 121 E C 1.982 178.612 176.600 0.049 0.000 0.991 121 E CA 0.799 57.223 56.400 0.040 0.000 0.799 121 E CB -0.002 29.726 29.700 0.047 0.000 0.748 121 E HN 0.095 nan 8.360 nan 0.000 0.449 122 L N 1.271 122.546 121.223 0.086 0.000 2.056 122 L HA -0.139 4.193 4.340 -0.014 0.000 0.207 122 L C 2.119 179.051 176.870 0.103 0.000 1.078 122 L CA 1.633 56.566 54.840 0.156 0.000 0.749 122 L CB -0.712 41.486 42.059 0.232 0.000 0.901 122 L HN 0.078 nan 8.230 nan 0.000 0.433 123 E N -0.622 119.621 120.200 0.072 0.000 2.118 123 E HA -0.209 4.133 4.350 -0.014 0.000 0.195 123 E C 1.880 178.432 176.600 -0.081 0.000 0.992 123 E CA 0.932 57.339 56.400 0.011 0.000 0.804 123 E CB 0.059 29.766 29.700 0.011 0.000 0.741 123 E HN 0.372 nan 8.360 nan 0.000 0.458 124 E N 0.153 120.319 120.200 -0.058 0.000 2.409 124 E HA -0.136 4.206 4.350 -0.014 0.000 0.198 124 E C 1.851 178.370 176.600 -0.135 0.000 1.024 124 E CA 0.557 56.916 56.400 -0.069 0.000 0.861 124 E CB -0.009 29.685 29.700 -0.010 0.000 0.788 124 E HN 0.395 nan 8.360 nan 0.000 0.521 125 I N 0.906 121.343 120.570 -0.222 0.000 2.439 125 I HA -0.130 4.032 4.170 -0.014 0.000 0.251 125 I C 1.402 177.209 176.117 -0.517 0.000 1.139 125 I CA 0.329 61.440 61.300 -0.314 0.000 1.438 125 I CB 0.115 37.954 38.000 -0.268 0.000 1.085 125 I HN -0.014 nan 8.210 nan 0.000 0.427 126 E N 2.276 122.006 120.200 -0.784 0.000 2.415 126 E HA -0.093 4.249 4.350 -0.014 0.000 0.263 126 E C 0.018 176.475 176.600 -0.239 0.000 0.995 126 E CA -0.129 55.839 56.400 -0.720 0.000 0.915 126 E CB 0.538 29.863 29.700 -0.625 0.000 0.951 126 E HN 0.089 nan 8.360 nan 0.000 0.449 127 E N 3.192 123.349 120.200 -0.073 0.000 2.354 127 E HA 0.059 4.400 4.350 -0.014 0.000 0.269 127 E C -1.178 175.479 176.600 0.094 0.000 1.036 127 E CA -0.393 56.049 56.400 0.070 0.000 0.876 127 E CB 0.703 30.528 29.700 0.208 0.000 1.009 127 E HN 0.343 nan 8.360 nan 0.000 0.416 128 D N 2.301 122.738 120.400 0.063 0.000 2.389 128 D HA 0.251 4.883 4.640 -0.014 0.000 0.247 128 D C -0.724 175.595 176.300 0.032 0.000 1.128 128 D CA 0.083 54.101 54.000 0.030 0.000 0.884 128 D CB 1.062 41.863 40.800 0.002 0.000 1.194 128 D HN 0.456 nan 8.370 nan 0.000 0.441 129 A N 2.226 125.032 122.820 -0.023 0.000 2.457 129 A HA 0.468 4.780 4.320 -0.014 0.000 0.298 129 A C 1.168 178.567 177.584 -0.308 0.000 1.288 129 A CA -0.410 51.436 52.037 -0.318 0.000 0.956 129 A CB -0.285 18.575 19.000 -0.233 0.000 1.135 129 A HN 0.600 nan 8.150 nan 0.000 0.535 130 G N 2.201 110.757 108.800 -0.408 0.000 3.639 130 G HA2 0.358 4.309 3.960 -0.014 0.000 0.279 130 G HA3 0.358 4.309 3.960 -0.014 0.000 0.279 130 G C 0.469 175.113 174.900 -0.426 0.000 1.312 130 G CA -0.322 44.623 45.100 -0.258 0.000 1.355 130 G HN 0.715 nan 8.290 nan 0.000 0.595 131 L N 1.178 122.179 121.223 -0.369 0.000 2.855 131 L HA 0.264 4.596 4.340 -0.014 0.000 0.257 131 L C 1.202 177.960 176.870 -0.187 0.000 1.206 131 L CA -0.028 54.707 54.840 -0.175 0.000 1.042 131 L CB -0.507 41.553 42.059 0.002 0.000 1.321 131 L HN 0.302 nan 8.230 nan 0.000 0.417 132 G N -1.688 106.766 108.800 -0.577 0.000 2.660 132 G HA2 0.190 4.142 3.960 -0.014 0.000 0.290 132 G HA3 0.190 4.142 3.960 -0.014 0.000 0.290 132 G C -0.074 174.303 174.900 -0.871 0.000 1.432 132 G CA -0.497 44.248 45.100 -0.592 0.000 0.807 132 G HN -0.111 nan 8.290 nan 0.000 0.485 133 N N -0.766 117.686 118.700 -0.413 0.000 2.387 133 N HA 0.187 4.919 4.740 -0.014 0.000 0.176 133 N C 1.190 176.717 175.510 0.027 0.000 1.022 133 N CA 1.314 54.239 53.050 -0.208 0.000 0.883 133 N CB 1.188 39.656 38.487 -0.032 0.000 1.019 133 N HN 0.805 nan 8.380 nan 0.000 0.435 134 G N -0.616 108.280 108.800 0.159 0.000 2.927 134 G HA2 0.150 4.101 3.960 -0.014 0.000 0.111 134 G HA3 0.150 4.101 3.960 -0.014 0.000 0.111 134 G C 0.643 175.693 174.900 0.249 0.000 1.198 134 G CA 0.276 45.572 45.100 0.328 0.000 1.382 134 G HN 0.177 nan 8.290 nan 0.000 0.663 135 G N 0.294 109.169 108.800 0.125 0.000 2.421 135 G HA2 0.175 4.126 3.960 -0.014 0.000 0.217 135 G HA3 0.175 4.126 3.960 -0.014 0.000 0.217 135 G C 1.853 176.759 174.900 0.010 0.000 1.143 135 G CA 1.512 46.647 45.100 0.059 0.000 0.784 135 G HN 0.780 nan 8.290 nan 0.000 0.541 136 L N 1.018 122.218 121.223 -0.038 0.000 2.027 136 L HA 0.193 4.524 4.340 -0.014 0.000 0.206 136 L C 2.735 179.545 176.870 -0.099 0.000 1.074 136 L CA 2.383 57.118 54.840 -0.175 0.000 0.745 136 L CB -0.717 41.185 42.059 -0.262 0.000 0.898 136 L HN 0.128 nan 8.230 nan 0.000 0.433 137 G N -0.851 107.940 108.800 -0.015 0.000 2.402 137 G HA2 -0.236 3.715 3.960 -0.014 0.000 0.216 137 G HA3 -0.236 3.715 3.960 -0.014 0.000 0.216 137 G C 1.729 176.694 174.900 0.109 0.000 1.162 137 G CA 0.399 45.510 45.100 0.018 0.000 0.777 137 G HN 0.213 nan 8.290 nan 0.000 0.539 138 R N -0.115 120.495 120.500 0.184 0.000 2.096 138 R HA 0.048 4.379 4.340 -0.014 0.000 0.235 138 R C 2.527 178.854 176.300 0.046 0.000 1.127 138 R CA 0.850 57.039 56.100 0.149 0.000 0.968 138 R CB -0.921 29.437 30.300 0.096 0.000 0.861 138 R HN 0.428 nan 8.270 nan 0.000 0.440 139 L N 0.673 121.858 121.223 -0.064 0.000 1.989 139 L HA -0.146 4.186 4.340 -0.014 0.000 0.211 139 L C 2.260 178.855 176.870 -0.459 0.000 1.071 139 L CA 2.291 56.975 54.840 -0.260 0.000 0.749 139 L CB -0.806 41.083 42.059 -0.284 0.000 0.890 139 L HN 0.175 nan 8.230 nan 0.000 0.431 140 A N -0.391 122.247 122.820 -0.305 0.000 1.873 140 A HA -0.260 4.052 4.320 -0.014 0.000 0.218 140 A C 2.451 180.058 177.584 0.037 0.000 1.193 140 A CA 2.413 54.320 52.037 -0.215 0.000 0.629 140 A CB -1.408 17.413 19.000 -0.298 0.000 0.826 140 A HN 0.618 nan 8.150 nan 0.000 0.447 141 A N -1.693 121.216 122.820 0.148 0.000 1.972 141 A HA -0.144 4.168 4.320 -0.014 0.000 0.219 141 A C 2.264 179.935 177.584 0.145 0.000 1.169 141 A CA 1.714 53.873 52.037 0.205 0.000 0.635 141 A CB -1.068 18.043 19.000 0.184 0.000 0.810 141 A HN 0.615 nan 8.150 nan 0.000 0.446 142 C N -1.959 117.432 119.300 0.151 0.000 2.485 142 C HA 0.107 4.558 4.460 -0.014 0.000 0.278 142 C C 2.312 177.474 174.990 0.286 0.000 1.356 142 C CA 0.163 59.308 59.018 0.212 0.000 1.747 142 C CB -1.427 26.470 27.740 0.261 0.000 2.001 142 C HN 0.623 nan 8.230 nan 0.000 0.501 143 F N 0.669 120.597 119.950 -0.037 0.000 2.171 143 F HA -0.053 4.465 4.527 -0.014 0.000 0.300 143 F C 2.051 177.784 175.800 -0.111 0.000 1.090 143 F CA 1.075 59.001 58.000 -0.124 0.000 1.293 143 F CB -1.196 37.587 39.000 -0.360 0.000 1.013 143 F HN 0.090 nan 8.300 nan 0.000 0.486 144 L N 0.105 121.402 121.223 0.123 0.000 2.046 144 L HA -0.206 4.126 4.340 -0.014 0.000 0.208 144 L C 2.352 179.231 176.870 0.015 0.000 1.077 144 L CA 1.726 56.595 54.840 0.048 0.000 0.747 144 L CB -1.064 41.033 42.059 0.063 0.000 0.896 144 L HN 0.156 nan 8.230 nan 0.000 0.432 145 D N -1.207 119.212 120.400 0.031 0.000 2.097 145 D HA -0.173 4.459 4.640 -0.014 0.000 0.195 145 D C 1.939 178.248 176.300 0.015 0.000 0.989 145 D CA 1.586 55.590 54.000 0.006 0.000 0.827 145 D CB 0.436 41.241 40.800 0.009 0.000 0.966 145 D HN 0.297 nan 8.370 nan 0.000 0.456 146 S N 0.004 115.724 115.700 0.034 0.000 2.368 146 S HA -0.096 4.365 4.470 -0.014 0.000 0.224 146 S C 2.139 176.736 174.600 -0.006 0.000 1.029 146 S CA 0.843 59.050 58.200 0.011 0.000 0.988 146 S CB -0.137 63.061 63.200 -0.004 0.000 0.838 146 S HN 0.349 nan 8.310 nan 0.000 0.462 147 M N 0.933 120.523 119.600 -0.017 0.000 2.213 147 M HA -0.103 4.369 4.480 -0.014 0.000 0.263 147 M C 2.389 178.678 176.300 -0.018 0.000 1.062 147 M CA 1.405 56.694 55.300 -0.019 0.000 1.105 147 M CB -0.502 32.068 32.600 -0.050 0.000 1.385 147 M HN 0.399 nan 8.290 nan 0.000 0.417 148 A N -0.424 122.385 122.820 -0.020 0.000 1.898 148 A HA -0.074 4.237 4.320 -0.014 0.000 0.214 148 A C 2.147 179.735 177.584 0.006 0.000 1.183 148 A CA 1.650 53.678 52.037 -0.015 0.000 0.622 148 A CB -0.941 18.038 19.000 -0.036 0.000 0.824 148 A HN 0.371 nan 8.150 nan 0.000 0.444 149 T N 0.055 114.619 114.554 0.017 0.000 2.881 149 T HA -0.056 4.286 4.350 -0.014 0.000 0.270 149 T C 0.938 175.659 174.700 0.035 0.000 1.068 149 T CA 1.066 63.191 62.100 0.041 0.000 1.131 149 T CB -0.203 68.699 68.868 0.057 0.000 0.871 149 T HN 0.151 nan 8.240 nan 0.000 0.479 150 L N 0.544 121.782 121.223 0.026 0.000 2.728 150 L HA 0.400 4.732 4.340 -0.014 0.000 0.235 150 L C 1.546 178.437 176.870 0.036 0.000 1.197 150 L CA 0.056 54.914 54.840 0.030 0.000 0.992 150 L CB -0.714 41.363 42.059 0.029 0.000 1.263 150 L HN 0.324 nan 8.230 nan 0.000 0.484 151 G N 0.312 109.134 108.800 0.037 0.000 2.305 151 G HA2 -0.283 3.669 3.960 -0.014 0.000 0.287 151 G HA3 -0.283 3.669 3.960 -0.014 0.000 0.287 151 G C 0.202 175.138 174.900 0.060 0.000 1.036 151 G CA 0.205 45.341 45.100 0.060 0.000 0.887 151 G HN 0.301 nan 8.290 nan 0.000 0.505 152 L N -0.225 121.005 121.223 0.012 0.000 2.325 152 L HA 0.633 4.964 4.340 -0.014 0.000 0.279 152 L C 1.117 177.863 176.870 -0.206 0.000 1.054 152 L CA -0.532 54.275 54.840 -0.056 0.000 0.804 152 L CB 1.772 43.810 42.059 -0.036 0.000 1.200 152 L HN 0.272 nan 8.230 nan 0.000 0.436 153 A N 3.188 125.760 122.820 -0.413 0.000 2.906 153 A HA 0.570 4.882 4.320 -0.014 0.000 0.289 153 A C 0.227 177.470 177.584 -0.567 0.000 1.675 153 A CA -0.107 51.415 52.037 -0.858 0.000 1.372 153 A CB -0.608 17.831 19.000 -0.936 0.000 1.091 153 A HN 0.701 nan 8.150 nan 0.000 0.579 154 A N 1.811 124.321 122.820 -0.517 0.000 2.365 154 A HA 0.795 5.107 4.320 -0.014 0.000 0.318 154 A C -1.278 176.080 177.584 -0.376 0.000 1.091 154 A CA -0.463 51.360 52.037 -0.357 0.000 0.763 154 A CB 0.952 19.803 19.000 -0.247 0.000 1.248 154 A HN 0.599 nan 8.150 nan 0.000 0.442 155 Y N 0.444 120.703 120.300 -0.068 0.000 2.346 155 Y HA 0.542 5.084 4.550 -0.014 0.000 0.332 155 Y C 0.781 176.802 175.900 0.201 0.000 0.985 155 Y CA -0.683 57.455 58.100 0.063 0.000 1.112 155 Y CB 2.235 40.844 38.460 0.250 0.000 1.170 155 Y HN 0.853 nan 8.280 nan 0.000 0.447 156 G N 2.274 111.193 108.800 0.198 0.000 2.353 156 G HA2 0.439 4.391 3.960 -0.014 0.000 0.284 156 G HA3 0.439 4.391 3.960 -0.014 0.000 0.284 156 G C -1.685 173.304 174.900 0.149 0.000 1.172 156 G CA -0.211 45.081 45.100 0.320 0.000 0.854 156 G HN 0.515 nan 8.290 nan 0.000 0.485 157 Y N 0.725 121.280 120.300 0.425 0.000 2.425 157 Y HA 0.645 5.186 4.550 -0.014 0.000 0.344 157 Y C 0.724 176.923 175.900 0.498 0.000 0.969 157 Y CA 0.307 58.594 58.100 0.313 0.000 1.052 157 Y CB 2.782 41.447 38.460 0.342 0.000 1.215 157 Y HN 0.909 nan 8.280 nan 0.000 0.451 158 G N 2.159 111.271 108.800 0.520 0.000 2.677 158 G HA2 0.509 4.460 3.960 -0.014 0.000 0.283 158 G HA3 0.509 4.460 3.960 -0.014 0.000 0.283 158 G C -1.793 173.332 174.900 0.375 0.000 1.221 158 G CA -0.821 44.601 45.100 0.537 0.000 0.851 158 G HN 0.443 nan 8.290 nan 0.000 0.504 159 I N 0.575 121.260 120.570 0.191 0.000 2.493 159 I HA 0.451 4.612 4.170 -0.014 0.000 0.298 159 I C 0.240 176.280 176.117 -0.128 0.000 0.998 159 I CA -0.744 60.561 61.300 0.008 0.000 1.137 159 I CB 2.153 39.933 38.000 -0.367 0.000 1.310 159 I HN 0.343 nan 8.210 nan 0.000 0.445 160 R N 5.630 126.144 120.500 0.022 0.000 2.308 160 R HA 0.258 4.589 4.340 -0.014 0.000 0.325 160 R C -1.450 174.920 176.300 0.116 0.000 1.161 160 R CA -0.394 55.755 56.100 0.082 0.000 1.022 160 R CB 0.090 30.414 30.300 0.040 0.000 1.091 160 R HN 0.391 nan 8.270 nan 0.000 0.497 161 Y N 2.167 122.637 120.300 0.284 0.000 2.335 161 Y HA 0.044 4.586 4.550 -0.014 0.000 0.331 161 Y C 1.310 177.406 175.900 0.326 0.000 1.094 161 Y CA -0.239 58.015 58.100 0.256 0.000 1.253 161 Y CB 1.210 39.795 38.460 0.210 0.000 1.203 161 Y HN 0.586 nan 8.280 nan 0.000 0.508 162 E N 2.162 122.523 120.200 0.269 0.000 2.072 162 E HA -0.108 4.234 4.350 -0.014 0.000 0.191 162 E C -0.636 175.788 176.600 -0.294 0.000 0.985 162 E CA 1.013 57.338 56.400 -0.124 0.000 0.801 162 E CB 0.057 29.575 29.700 -0.304 0.000 0.750 162 E HN 0.364 nan 8.360 nan 0.000 0.452 163 F N 0.275 120.442 119.950 0.362 0.000 2.426 163 F HA 0.379 4.897 4.527 -0.014 0.000 0.348 163 F C 0.961 176.860 175.800 0.165 0.000 1.124 163 F CA -0.809 57.364 58.000 0.288 0.000 1.008 163 F CB 1.595 40.694 39.000 0.165 0.000 1.139 163 F HN -0.141 nan 8.300 nan 0.000 0.452 164 G N 2.163 111.061 108.800 0.162 0.000 2.873 164 G HA2 0.265 4.217 3.960 -0.014 0.000 0.170 164 G HA3 0.265 4.217 3.960 -0.014 0.000 0.170 164 G C -0.505 174.341 174.900 -0.090 0.000 1.608 164 G CA -0.404 44.633 45.100 -0.106 0.000 1.084 164 G HN 0.477 nan 8.290 nan 0.000 0.563 165 I N 1.071 121.527 120.570 -0.191 0.000 2.529 165 I HA 0.351 4.512 4.170 -0.014 0.000 0.284 165 I C 0.397 176.440 176.117 -0.123 0.000 1.082 165 I CA -1.712 59.465 61.300 -0.205 0.000 1.406 165 I CB 0.092 37.870 38.000 -0.371 0.000 1.405 165 I HN 0.345 nan 8.210 nan 0.000 0.548 166 F N 5.988 125.954 119.950 0.027 0.000 2.628 166 F HA 0.227 4.746 4.527 -0.014 0.000 0.346 166 F C 0.385 176.241 175.800 0.092 0.000 1.188 166 F CA -0.321 57.717 58.000 0.065 0.000 1.376 166 F CB -0.283 38.747 39.000 0.050 0.000 1.104 166 F HN 0.422 nan 8.300 nan 0.000 0.616 167 N N 2.019 120.892 118.700 0.290 0.000 2.455 167 N HA 0.091 4.822 4.740 -0.014 0.000 0.280 167 N C -1.002 174.723 175.510 0.359 0.000 1.055 167 N CA -0.426 52.757 53.050 0.222 0.000 0.961 167 N CB 1.476 40.087 38.487 0.206 0.000 1.121 167 N HN 0.745 nan 8.380 nan 0.000 0.476 168 Q N 2.339 122.329 119.800 0.317 0.000 2.241 168 Q HA 0.258 4.590 4.340 -0.014 0.000 0.254 168 Q C -1.077 175.086 176.000 0.271 0.000 0.917 168 Q CA -0.553 55.480 55.803 0.382 0.000 0.919 168 Q CB 0.852 29.821 28.738 0.384 0.000 1.237 168 Q HN 0.438 nan 8.270 nan 0.000 0.434 169 K N 3.467 124.008 120.400 0.234 0.000 2.443 169 K HA 0.424 4.736 4.320 -0.014 0.000 0.252 169 K C -1.083 175.610 176.600 0.155 0.000 0.933 169 K CA -0.992 55.407 56.287 0.187 0.000 0.792 169 K CB 1.360 33.956 32.500 0.161 0.000 1.185 169 K HN 0.381 nan 8.250 nan 0.000 0.425 170 I N 2.549 123.199 120.570 0.134 0.000 2.322 170 I HA 0.091 4.253 4.170 -0.014 0.000 0.292 170 I C -0.687 175.482 176.117 0.086 0.000 1.060 170 I CA -0.371 60.978 61.300 0.083 0.000 1.309 170 I CB 0.578 38.609 38.000 0.051 0.000 1.415 170 I HN 0.686 nan 8.210 nan 0.000 0.492 171 C N 5.078 124.446 119.300 0.112 0.000 2.340 171 C HA 0.615 5.066 4.460 -0.014 0.000 0.323 171 C C 1.033 176.124 174.990 0.167 0.000 1.260 171 C CA -0.458 58.630 59.018 0.116 0.000 1.464 171 C CB 0.361 28.167 27.740 0.110 0.000 2.156 171 C HN 1.046 nan 8.230 nan 0.000 0.476 172 G N 2.779 111.649 108.800 0.116 0.000 2.249 172 G HA2 0.081 4.033 3.960 -0.014 0.000 0.273 172 G HA3 0.081 4.033 3.960 -0.014 0.000 0.273 172 G C 1.097 175.999 174.900 0.003 0.000 1.036 172 G CA 0.931 46.107 45.100 0.126 0.000 0.824 172 G HN 2.356 nan 8.290 nan 0.000 0.504 173 G N -2.720 106.036 108.800 -0.073 0.000 2.189 173 G HA2 -0.323 3.629 3.960 -0.014 0.000 0.267 173 G HA3 -0.323 3.629 3.960 -0.014 0.000 0.267 173 G C 0.444 175.138 174.900 -0.342 0.000 0.975 173 G CA 0.853 45.806 45.100 -0.245 0.000 0.644 173 G HN 1.208 nan 8.290 nan 0.000 0.537 174 W N 0.686 121.943 121.300 -0.073 0.000 2.438 174 W HA 0.628 5.280 4.660 -0.014 0.000 0.324 174 W C 0.734 177.216 176.519 -0.061 0.000 1.119 174 W CA -0.823 56.477 57.345 -0.075 0.000 1.221 174 W CB 0.764 30.195 29.460 -0.048 0.000 1.253 174 W HN 0.263 nan 8.180 nan 0.000 0.555 175 Q N 2.535 122.440 119.800 0.175 0.000 2.311 175 Q HA 0.239 4.571 4.340 -0.014 0.000 0.272 175 Q C -0.897 175.181 176.000 0.131 0.000 1.012 175 Q CA 0.086 55.972 55.803 0.138 0.000 0.891 175 Q CB 0.513 29.333 28.738 0.137 0.000 1.201 175 Q HN 0.416 nan 8.270 nan 0.000 0.391 176 M N 4.577 124.246 119.600 0.115 0.000 2.181 176 M HA 0.239 4.711 4.480 -0.014 0.000 0.323 176 M C -1.170 175.169 176.300 0.066 0.000 1.004 176 M CA -0.451 54.889 55.300 0.067 0.000 0.941 176 M CB 1.736 34.383 32.600 0.078 0.000 1.579 176 M HN 0.549 nan 8.290 nan 0.000 0.427 177 E N 2.664 122.839 120.200 -0.042 0.000 2.277 177 E HA 0.450 4.792 4.350 -0.014 0.000 0.274 177 E C -0.964 175.651 176.600 0.025 0.000 1.022 177 E CA -0.566 55.800 56.400 -0.057 0.000 0.853 177 E CB 1.803 31.141 29.700 -0.603 0.000 1.086 177 E HN 0.685 nan 8.360 nan 0.000 0.397 178 E N 0.712 121.001 120.200 0.148 0.000 2.367 178 E HA 0.550 4.891 4.350 -0.014 0.000 0.273 178 E C -1.362 175.335 176.600 0.161 0.000 0.903 178 E CA -1.043 55.429 56.400 0.119 0.000 0.764 178 E CB 2.008 31.787 29.700 0.131 0.000 1.252 178 E HN 0.575 nan 8.360 nan 0.000 0.446 179 A N 2.422 125.301 122.820 0.100 0.000 2.425 179 A HA 0.149 4.461 4.320 -0.014 0.000 0.249 179 A C -0.216 177.541 177.584 0.288 0.000 1.084 179 A CA -0.109 52.008 52.037 0.133 0.000 0.781 179 A CB 0.413 19.354 19.000 -0.098 0.000 1.019 179 A HN 0.623 nan 8.150 nan 0.000 0.490 180 D N 1.415 122.051 120.400 0.393 0.000 2.483 180 D HA 0.212 4.844 4.640 -0.014 0.000 0.220 180 D C -0.741 175.892 176.300 0.554 0.000 1.173 180 D CA 0.006 54.239 54.000 0.388 0.000 0.964 180 D CB 0.350 41.314 40.800 0.274 0.000 1.046 180 D HN 0.370 nan 8.370 nan 0.000 0.517 181 D N 4.073 124.759 120.400 0.477 0.000 2.631 181 D HA 0.014 4.646 4.640 -0.014 0.000 0.227 181 D C 1.150 177.619 176.300 0.281 0.000 1.146 181 D CA -0.609 53.622 54.000 0.385 0.000 1.009 181 D CB -0.066 40.953 40.800 0.366 0.000 1.057 181 D HN 0.510 nan 8.370 nan 0.000 0.509 182 W N 2.177 123.520 121.300 0.071 0.000 2.465 182 W HA -0.045 4.607 4.660 -0.014 0.000 0.268 182 W C 0.415 176.989 176.519 0.093 0.000 1.242 182 W CA 0.102 57.503 57.345 0.093 0.000 1.248 182 W CB -0.965 28.545 29.460 0.083 0.000 1.118 182 W HN 0.194 nan 8.180 nan 0.000 0.587 183 L N 1.113 121.982 121.223 -0.589 0.000 2.591 183 L HA 0.119 4.450 4.340 -0.014 0.000 0.228 183 L C 2.628 179.370 176.870 -0.213 0.000 1.133 183 L CA 0.092 54.593 54.840 -0.565 0.000 0.880 183 L CB -0.559 40.997 42.059 -0.839 0.000 1.033 183 L HN -0.161 nan 8.230 nan 0.000 0.450 184 R N -0.034 120.409 120.500 -0.095 0.000 2.190 184 R HA -0.254 4.078 4.340 -0.014 0.000 0.255 184 R C 1.297 177.438 176.300 -0.265 0.000 1.143 184 R CA 2.086 58.099 56.100 -0.144 0.000 0.965 184 R CB -0.522 29.702 30.300 -0.127 0.000 0.889 184 R HN 0.337 nan 8.270 nan 0.000 0.448 185 Y N -0.598 119.736 120.300 0.056 0.000 2.458 185 Y HA 0.269 4.811 4.550 -0.014 0.000 0.256 185 Y C 1.111 177.030 175.900 0.031 0.000 1.159 185 Y CA 0.448 58.597 58.100 0.082 0.000 1.261 185 Y CB 1.070 39.706 38.460 0.294 0.000 1.119 185 Y HN 0.342 nan 8.280 nan 0.000 0.524 186 G N 1.149 110.017 108.800 0.113 0.000 2.661 186 G HA2 -0.229 3.723 3.960 -0.014 0.000 0.685 186 G HA3 -0.229 3.723 3.960 -0.014 0.000 0.685 186 G C -1.131 173.873 174.900 0.173 0.000 1.298 186 G CA -0.698 44.436 45.100 0.057 0.000 0.855 186 G HN 0.234 nan 8.290 nan 0.000 0.560 187 N N 0.916 119.666 118.700 0.084 0.000 2.491 187 N HA 0.478 5.210 4.740 -0.014 0.000 0.274 187 N C -1.550 173.969 175.510 0.014 0.000 1.023 187 N CA -1.603 51.506 53.050 0.099 0.000 0.902 187 N CB 2.366 40.859 38.487 0.010 0.000 1.267 187 N HN 0.302 nan 8.380 nan 0.000 0.503 188 P HA 0.054 nan 4.420 nan 0.000 0.242 188 P C 0.336 177.286 177.300 -0.584 0.000 1.197 188 P CA 0.464 63.245 63.100 -0.533 0.000 0.765 188 P CB 0.077 31.138 31.700 -1.065 0.000 0.936 189 W N 1.440 122.770 121.300 0.049 0.000 2.699 189 W HA 0.094 4.746 4.660 -0.013 0.000 0.265 189 W C 1.291 177.850 176.519 0.067 0.000 1.210 189 W CA -0.343 57.017 57.345 0.024 0.000 1.414 189 W CB -0.101 29.365 29.460 0.009 0.000 1.043 189 W HN -0.107 nan 8.180 nan 0.000 0.599 190 E N 1.922 122.272 120.200 0.250 0.000 2.392 190 E HA 0.203 4.544 4.350 -0.014 0.000 0.256 190 E C -0.468 176.292 176.600 0.267 0.000 1.145 190 E CA -0.308 56.252 56.400 0.267 0.000 0.929 190 E CB 0.921 30.792 29.700 0.285 0.000 0.998 190 E HN -0.339 nan 8.360 nan 0.000 0.442 191 K N 1.068 121.647 120.400 0.298 0.000 2.616 191 K HA 0.367 4.679 4.320 -0.014 0.000 0.241 191 K C -1.161 175.494 176.600 0.093 0.000 0.961 191 K CA -0.449 55.961 56.287 0.206 0.000 0.942 191 K CB 1.244 33.871 32.500 0.211 0.000 1.153 191 K HN 0.669 nan 8.250 nan 0.000 0.452 192 A N 3.996 126.809 122.820 -0.012 0.000 2.565 192 A HA 0.205 4.516 4.320 -0.014 0.000 0.237 192 A C -0.087 177.325 177.584 -0.287 0.000 1.053 192 A CA 0.269 51.990 52.037 -0.526 0.000 0.755 192 A CB 0.174 18.930 19.000 -0.407 0.000 0.980 192 A HN 0.682 nan 8.150 nan 0.000 0.506 193 R N 3.103 123.421 120.500 -0.303 0.000 2.782 193 R HA 0.178 4.509 4.340 -0.014 0.000 0.293 193 R C -2.281 174.041 176.300 0.037 0.000 1.333 193 R CA -1.202 54.874 56.100 -0.040 0.000 1.479 193 R CB 0.953 31.231 30.300 -0.036 0.000 1.306 193 R HN 0.639 nan 8.270 nan 0.000 0.654 194 P HA -0.169 nan 4.420 nan 0.000 0.225 194 P C 0.920 178.252 177.300 0.053 0.000 1.148 194 P CA 1.048 64.156 63.100 0.014 0.000 0.779 194 P CB 0.357 32.050 31.700 -0.012 0.000 0.780 195 E N 0.012 120.233 120.200 0.035 0.000 2.265 195 E HA -0.152 4.189 4.350 -0.014 0.000 0.196 195 E C 0.707 177.248 176.600 -0.098 0.000 0.996 195 E CA 0.842 57.201 56.400 -0.069 0.000 0.832 195 E CB -1.051 28.543 29.700 -0.177 0.000 0.756 195 E HN 0.313 nan 8.360 nan 0.000 0.491 196 F N 2.197 122.160 119.950 0.022 0.000 2.798 196 F HA 0.220 4.738 4.527 -0.014 0.000 0.291 196 F C 0.526 176.406 175.800 0.132 0.000 1.174 196 F CA -0.220 57.822 58.000 0.069 0.000 1.392 196 F CB 0.342 39.383 39.000 0.068 0.000 0.966 196 F HN -0.268 nan 8.300 nan 0.000 0.509 197 T N 1.718 116.413 114.554 0.234 0.000 2.898 197 T HA 0.392 4.734 4.350 -0.014 0.000 0.301 197 T C -0.411 174.382 174.700 0.155 0.000 1.049 197 T CA 0.142 62.372 62.100 0.216 0.000 1.095 197 T CB 1.136 70.096 68.868 0.153 0.000 0.976 197 T HN -0.123 nan 8.240 nan 0.000 0.539 198 L N 3.413 124.696 121.223 0.101 0.000 2.434 198 L HA 0.558 4.890 4.340 -0.014 0.000 0.260 198 L C -2.363 174.476 176.870 -0.051 0.000 0.983 198 L CA -2.147 52.693 54.840 0.000 0.000 0.820 198 L CB 2.498 44.491 42.059 -0.109 0.000 1.361 198 L HN 0.387 nan 8.230 nan 0.000 0.410 199 P HA 0.431 nan 4.420 nan 0.000 0.286 199 P C -1.450 175.707 177.300 -0.239 0.000 1.261 199 P CA -0.447 62.565 63.100 -0.148 0.000 0.821 199 P CB 2.036 33.630 31.700 -0.176 0.000 1.013 200 V N 3.429 123.198 119.914 -0.243 0.000 2.525 200 V HA 0.270 4.382 4.120 -0.014 0.000 0.299 200 V C 0.168 176.064 176.094 -0.331 0.000 1.034 200 V CA -0.629 61.516 62.300 -0.259 0.000 0.863 200 V CB 1.259 33.010 31.823 -0.119 0.000 0.999 200 V HN 0.602 nan 8.190 nan 0.000 0.423 201 H N 4.071 122.997 119.070 -0.240 0.000 2.487 201 H HA 0.550 5.098 4.556 -0.014 0.000 0.333 201 H C -1.136 173.872 175.328 -0.533 0.000 1.114 201 H CA 0.079 55.884 56.048 -0.404 0.000 1.310 201 H CB 1.582 30.858 29.762 -0.809 0.000 1.462 201 H HN 0.445 nan 8.280 nan 0.000 0.516 202 F N 0.531 120.482 119.950 0.002 0.000 2.593 202 F HA 0.218 4.737 4.527 -0.014 0.000 0.320 202 F C -0.160 175.656 175.800 0.026 0.000 1.060 202 F CA -0.466 57.534 58.000 -0.000 0.000 0.940 202 F CB 0.839 39.806 39.000 -0.055 0.000 1.268 202 F HN 0.555 nan 8.300 nan 0.000 0.475 203 Y N 0.072 120.605 120.300 0.388 0.000 2.909 203 Y HA 0.075 4.617 4.550 -0.014 0.000 0.465 203 Y C 1.102 177.170 175.900 0.279 0.000 1.206 203 Y CA 0.557 58.815 58.100 0.264 0.000 2.474 203 Y CB -1.785 36.761 38.460 0.143 0.000 1.242 203 Y HN 1.237 nan 8.280 nan 0.000 0.634 204 G N -0.100 108.899 108.800 0.333 0.000 2.472 204 G HA2 0.214 4.166 3.960 -0.014 0.000 0.205 204 G HA3 0.214 4.166 3.960 -0.014 0.000 0.205 204 G C -1.006 174.040 174.900 0.245 0.000 1.270 204 G CA -0.184 45.024 45.100 0.181 0.000 0.974 204 G HN 0.797 nan 8.290 nan 0.000 0.542 205 R N -2.013 118.636 120.500 0.248 0.000 2.752 205 R HA 0.625 4.956 4.340 -0.014 0.000 0.271 205 R C -1.367 175.063 176.300 0.216 0.000 1.026 205 R CA -0.852 55.361 56.100 0.189 0.000 0.901 205 R CB 2.200 32.562 30.300 0.103 0.000 1.243 205 R HN 0.553 nan 8.270 nan 0.000 0.463 206 V N 2.002 121.975 119.914 0.099 0.000 2.347 206 V HA 0.233 4.345 4.120 -0.014 0.000 0.280 206 V C -0.330 175.726 176.094 -0.063 0.000 1.021 206 V CA -0.521 61.774 62.300 -0.010 0.000 0.847 206 V CB 1.345 33.109 31.823 -0.098 0.000 0.990 206 V HN 0.627 nan 8.190 nan 0.000 0.444 207 E N 3.100 123.250 120.200 -0.083 0.000 2.301 207 E HA 0.397 4.738 4.350 -0.014 0.000 0.275 207 E C -1.043 175.443 176.600 -0.190 0.000 1.030 207 E CA -0.493 55.871 56.400 -0.061 0.000 0.852 207 E CB 1.175 30.861 29.700 -0.023 0.000 1.060 207 E HN 0.659 nan 8.360 nan 0.000 0.401 208 H N 1.119 120.201 119.070 0.019 0.000 2.718 208 H HA 0.281 4.828 4.556 -0.014 0.000 0.295 208 H C -0.907 174.427 175.328 0.011 0.000 1.051 208 H CA -0.287 55.768 56.048 0.012 0.000 1.260 208 H CB 0.862 30.628 29.762 0.007 0.000 1.403 208 H HN 0.411 nan 8.280 nan 0.000 0.488 209 T N -0.096 114.509 114.554 0.085 0.000 2.923 209 T HA 0.328 4.669 4.350 -0.014 0.000 0.311 209 T C 0.757 175.486 174.700 0.048 0.000 1.183 209 T CA -0.407 61.730 62.100 0.062 0.000 1.020 209 T CB 1.873 70.764 68.868 0.038 0.000 1.165 209 T HN 0.498 nan 8.240 nan 0.000 0.482 210 S N 0.728 116.453 115.700 0.042 0.000 3.459 210 S HA -0.296 4.166 4.470 -0.014 0.000 0.513 210 S C 0.482 175.103 174.600 0.034 0.000 1.143 210 S CA 2.086 60.305 58.200 0.033 0.000 3.303 210 S CB -1.125 62.090 63.200 0.026 0.000 2.115 210 S HN 1.007 nan 8.310 nan 0.000 0.487 211 Q N 1.349 121.168 119.800 0.032 0.000 2.490 211 Q HA 0.565 4.896 4.340 -0.014 0.000 0.255 211 Q C 0.146 176.165 176.000 0.031 0.000 0.997 211 Q CA 0.955 56.778 55.803 0.032 0.000 0.709 211 Q CB 0.910 29.664 28.738 0.026 0.000 1.255 211 Q HN 0.993 nan 8.270 nan 0.000 0.486 212 G N 1.528 110.357 108.800 0.050 0.000 2.587 212 G HA2 0.195 4.146 3.960 -0.014 0.000 0.212 212 G HA3 0.195 4.146 3.960 -0.014 0.000 0.212 212 G C -1.023 173.897 174.900 0.033 0.000 1.327 212 G CA -0.444 44.686 45.100 0.050 0.000 0.898 212 G HN 0.922 nan 8.290 nan 0.000 0.551 213 A N -0.038 122.756 122.820 -0.043 0.000 2.311 213 A HA 0.909 5.221 4.320 -0.014 0.000 0.334 213 A C 0.004 177.504 177.584 -0.139 0.000 1.139 213 A CA 0.090 51.985 52.037 -0.236 0.000 0.830 213 A CB 1.349 20.162 19.000 -0.313 0.000 1.234 213 A HN 1.238 nan 8.150 nan 0.000 0.483 214 K N 0.570 120.885 120.400 -0.142 0.000 2.464 214 K HA 0.285 4.597 4.320 -0.014 0.000 0.253 214 K C -1.885 174.734 176.600 0.032 0.000 0.933 214 K CA -0.374 55.889 56.287 -0.039 0.000 0.801 214 K CB 1.764 34.249 32.500 -0.024 0.000 1.271 214 K HN 0.655 nan 8.250 nan 0.000 0.430 215 W N 3.674 124.880 121.300 -0.156 0.000 2.316 215 W HA 0.482 5.133 4.660 -0.014 0.000 0.308 215 W C -1.031 175.408 176.519 -0.135 0.000 1.106 215 W CA -1.102 56.157 57.345 -0.143 0.000 1.262 215 W CB 0.721 30.086 29.460 -0.157 0.000 1.233 215 W HN 0.351 nan 8.180 nan 0.000 0.447 216 V N 6.482 126.410 119.914 0.022 0.000 3.126 216 V HA 0.408 4.520 4.120 -0.014 0.000 0.314 216 V C -0.640 175.384 176.094 -0.118 0.000 1.138 216 V CA -0.663 61.588 62.300 -0.083 0.000 1.034 216 V CB 1.998 33.810 31.823 -0.018 0.000 1.075 216 V HN 0.501 nan 8.190 nan 0.000 0.442 217 D N 1.770 122.097 120.400 -0.123 0.000 2.704 217 D HA -0.136 4.495 4.640 -0.014 0.000 0.232 217 D C 0.360 176.571 176.300 -0.149 0.000 1.183 217 D CA 1.311 55.237 54.000 -0.123 0.000 0.647 217 D CB -1.444 39.320 40.800 -0.059 0.000 1.013 217 D HN 0.882 nan 8.370 nan 0.000 0.415 218 T N -3.303 111.105 114.554 -0.244 0.000 2.902 218 T HA 0.427 4.769 4.350 -0.014 0.000 0.280 218 T C 0.294 174.921 174.700 -0.122 0.000 0.992 218 T CA -0.925 61.036 62.100 -0.232 0.000 1.015 218 T CB 2.782 71.309 68.868 -0.569 0.000 1.044 218 T HN 0.237 nan 8.240 nan 0.000 0.520 219 Q N 0.220 120.037 119.800 0.028 0.000 2.221 219 Q HA 0.555 4.887 4.340 -0.014 0.000 0.242 219 Q C -1.599 174.439 176.000 0.064 0.000 0.940 219 Q CA -0.863 54.970 55.803 0.050 0.000 0.896 219 Q CB 1.303 30.179 28.738 0.230 0.000 1.226 219 Q HN 0.602 nan 8.270 nan 0.000 0.463 220 V N 3.525 123.465 119.914 0.044 0.000 2.443 220 V HA 0.352 4.463 4.120 -0.014 0.000 0.293 220 V C -0.506 175.650 176.094 0.104 0.000 1.021 220 V CA -0.673 61.620 62.300 -0.012 0.000 0.848 220 V CB 1.688 33.493 31.823 -0.030 0.000 0.998 220 V HN 0.616 nan 8.190 nan 0.000 0.424 221 V N 6.095 126.111 119.914 0.170 0.000 2.713 221 V HA 0.549 4.660 4.120 -0.014 0.000 0.307 221 V C -0.052 176.151 176.094 0.181 0.000 1.052 221 V CA -0.662 61.758 62.300 0.201 0.000 0.967 221 V CB 1.977 33.970 31.823 0.283 0.000 1.019 221 V HN 0.624 nan 8.190 nan 0.000 0.459 222 L N 2.667 124.005 121.223 0.192 0.000 2.334 222 L HA 0.843 5.175 4.340 -0.014 0.000 0.272 222 L C 0.118 177.179 176.870 0.318 0.000 1.020 222 L CA -0.618 54.330 54.840 0.180 0.000 0.812 222 L CB 1.707 43.850 42.059 0.139 0.000 1.264 222 L HN 0.734 nan 8.230 nan 0.000 0.439 223 A N 3.626 126.587 122.820 0.236 0.000 2.291 223 A HA 0.635 4.947 4.320 -0.014 0.000 0.311 223 A C -0.577 177.261 177.584 0.423 0.000 1.224 223 A CA -0.458 51.758 52.037 0.299 0.000 0.821 223 A CB 1.144 19.951 19.000 -0.322 0.000 1.172 223 A HN 0.607 nan 8.150 nan 0.000 0.494 224 M N 5.488 125.389 119.600 0.500 0.000 2.061 224 M HA 0.337 4.809 4.480 -0.014 0.000 0.346 224 M C -2.602 173.931 176.300 0.390 0.000 1.112 224 M CA -2.460 53.065 55.300 0.374 0.000 1.021 224 M CB 1.239 34.032 32.600 0.323 0.000 1.530 224 M HN 0.416 nan 8.290 nan 0.000 0.437 225 P HA 0.280 nan 4.420 nan 0.000 0.284 225 P C -1.775 175.429 177.300 -0.161 0.000 1.253 225 P CA -0.154 62.876 63.100 -0.117 0.000 0.800 225 P CB 0.695 32.126 31.700 -0.448 0.000 0.961 226 Y N 0.642 120.856 120.300 -0.142 0.000 2.338 226 Y HA 0.297 4.839 4.550 -0.014 0.000 0.333 226 Y C 0.181 176.027 175.900 -0.091 0.000 0.968 226 Y CA -0.430 57.637 58.100 -0.055 0.000 1.123 226 Y CB 1.331 39.798 38.460 0.012 0.000 1.165 226 Y HN 0.214 nan 8.280 nan 0.000 0.452 227 D N 1.920 122.389 120.400 0.115 0.000 2.177 227 D HA 0.400 5.032 4.640 -0.014 0.000 0.247 227 D C -0.467 175.991 176.300 0.263 0.000 1.063 227 D CA -0.250 53.843 54.000 0.156 0.000 0.867 227 D CB 1.695 42.633 40.800 0.231 0.000 1.168 227 D HN 0.357 nan 8.370 nan 0.000 0.445 228 T N 2.794 117.412 114.554 0.106 0.000 2.829 228 T HA 0.472 4.813 4.350 -0.014 0.000 0.280 228 T C -2.471 172.038 174.700 -0.319 0.000 0.999 228 T CA -1.474 60.607 62.100 -0.033 0.000 0.983 228 T CB 1.998 70.844 68.868 -0.036 0.000 0.968 228 T HN 0.187 nan 8.240 nan 0.000 0.446 229 P HA 0.310 nan 4.420 nan 0.000 0.275 229 P C -1.045 175.936 177.300 -0.532 0.000 1.228 229 P CA -0.389 62.048 63.100 -1.105 0.000 0.786 229 P CB 0.810 31.663 31.700 -1.411 0.000 0.927 230 V N 4.449 124.111 119.914 -0.419 0.000 2.385 230 V HA 0.249 4.360 4.120 -0.014 0.000 0.277 230 V C -2.110 173.858 176.094 -0.211 0.000 1.012 230 V CA -1.877 60.267 62.300 -0.259 0.000 0.832 230 V CB 1.417 33.129 31.823 -0.185 0.000 1.028 230 V HN 0.551 nan 8.190 nan 0.000 0.436 231 P HA 0.250 nan 4.420 nan 0.000 0.276 231 P C 0.392 177.642 177.300 -0.084 0.000 1.230 231 P CA 0.388 63.404 63.100 -0.141 0.000 0.776 231 P CB 1.599 33.215 31.700 -0.139 0.000 0.888 232 G N 2.272 111.038 108.800 -0.056 0.000 2.599 232 G HA2 0.161 4.113 3.960 -0.014 0.000 0.264 232 G HA3 0.161 4.113 3.960 -0.014 0.000 0.264 232 G C -1.210 173.699 174.900 0.014 0.000 1.200 232 G CA -0.423 44.670 45.100 -0.012 0.000 0.896 232 G HN 0.485 nan 8.290 nan 0.000 0.536 233 Y N 0.461 120.722 120.300 -0.065 0.000 2.436 233 Y HA 0.299 4.841 4.550 -0.014 0.000 0.343 233 Y C 1.307 177.172 175.900 -0.059 0.000 1.008 233 Y CA -0.510 57.549 58.100 -0.069 0.000 1.241 233 Y CB 0.303 38.720 38.460 -0.071 0.000 1.153 233 Y HN 0.680 nan 8.280 nan 0.000 0.521 234 R N 3.156 123.297 120.500 -0.598 0.000 3.314 234 R HA -0.267 4.064 4.340 -0.014 0.000 0.243 234 R C -0.077 176.082 176.300 -0.235 0.000 0.954 234 R CA 1.207 57.029 56.100 -0.463 0.000 0.645 234 R CB -1.444 28.431 30.300 -0.708 0.000 1.022 234 R HN 0.799 nan 8.270 nan 0.000 0.468 235 N N -0.810 117.804 118.700 -0.144 0.000 2.184 235 N HA 0.022 4.754 4.740 -0.014 0.000 0.234 235 N C -0.426 175.038 175.510 -0.078 0.000 1.282 235 N CA -0.195 52.802 53.050 -0.088 0.000 0.877 235 N CB 0.260 38.717 38.487 -0.050 0.000 1.184 235 N HN 0.165 nan 8.380 nan 0.000 0.510 236 N N -0.373 118.278 118.700 -0.081 0.000 2.713 236 N HA -0.139 4.593 4.740 -0.014 0.000 0.251 236 N C -0.909 174.557 175.510 -0.073 0.000 1.117 236 N CA 0.628 53.636 53.050 -0.069 0.000 0.770 236 N CB -1.641 36.806 38.487 -0.066 0.000 1.137 236 N HN 0.236 nan 8.380 nan 0.000 0.566 237 V N 0.901 120.775 119.914 -0.067 0.000 2.481 237 V HA 0.501 4.613 4.120 -0.014 0.000 0.286 237 V C 0.593 176.655 176.094 -0.053 0.000 1.042 237 V CA -0.494 61.772 62.300 -0.057 0.000 0.928 237 V CB 2.279 34.089 31.823 -0.021 0.000 0.986 237 V HN -0.038 nan 8.190 nan 0.000 0.462 238 V N 5.130 125.017 119.914 -0.046 0.000 2.498 238 V HA 0.397 4.508 4.120 -0.014 0.000 0.283 238 V C -0.203 175.854 176.094 -0.062 0.000 1.015 238 V CA -0.818 61.416 62.300 -0.110 0.000 0.867 238 V CB 1.465 33.215 31.823 -0.121 0.000 1.025 238 V HN 0.865 nan 8.190 nan 0.000 0.441 239 N N 1.843 120.489 118.700 -0.090 0.000 2.514 239 N HA 0.600 5.332 4.740 -0.014 0.000 0.299 239 N C -0.025 175.439 175.510 -0.076 0.000 1.292 239 N CA -0.277 52.747 53.050 -0.043 0.000 0.963 239 N CB 0.950 39.378 38.487 -0.098 0.000 1.124 239 N HN 0.574 nan 8.380 nan 0.000 0.580 240 T N 0.611 115.127 114.554 -0.063 0.000 2.886 240 T HA 0.402 4.743 4.350 -0.014 0.000 0.292 240 T C -0.513 174.140 174.700 -0.079 0.000 1.012 240 T CA -0.502 61.626 62.100 0.048 0.000 0.982 240 T CB 1.365 70.394 68.868 0.268 0.000 1.018 240 T HN 0.273 nan 8.240 nan 0.000 0.451 241 M N 3.430 122.949 119.600 -0.135 0.000 2.066 241 M HA 0.553 5.025 4.480 -0.014 0.000 0.340 241 M C -0.569 175.558 176.300 -0.289 0.000 1.053 241 M CA -0.806 54.330 55.300 -0.274 0.000 0.983 241 M CB 0.615 33.016 32.600 -0.332 0.000 1.520 241 M HN 0.477 nan 8.290 nan 0.000 0.428 242 R N 4.584 124.784 120.500 -0.499 0.000 2.295 242 R HA 0.599 4.931 4.340 -0.014 0.000 0.324 242 R C -2.121 173.829 176.300 -0.583 0.000 0.968 242 R CA -0.376 55.364 56.100 -0.601 0.000 0.837 242 R CB 0.884 30.615 30.300 -0.948 0.000 1.133 242 R HN 0.626 nan 8.270 nan 0.000 0.450 243 L N 5.873 126.862 121.223 -0.390 0.000 2.349 243 L HA 0.486 4.818 4.340 -0.014 0.000 0.278 243 L C -1.199 175.609 176.870 -0.104 0.000 0.996 243 L CA -0.700 54.024 54.840 -0.193 0.000 0.825 243 L CB 1.134 43.172 42.059 -0.035 0.000 1.243 243 L HN 0.668 nan 8.230 nan 0.000 0.412 244 W N 2.268 123.673 121.300 0.175 0.000 2.316 244 W HA 0.607 5.259 4.660 -0.014 0.000 0.321 244 W C 0.747 177.472 176.519 0.343 0.000 1.203 244 W CA -0.188 57.283 57.345 0.211 0.000 1.214 244 W CB 1.167 30.618 29.460 -0.016 0.000 1.169 244 W HN 0.440 nan 8.180 nan 0.000 0.561 245 S N 1.278 117.366 115.700 0.645 0.000 2.537 245 S HA 0.822 5.284 4.470 -0.014 0.000 0.301 245 S C -0.540 174.395 174.600 0.558 0.000 1.092 245 S CA -0.696 57.805 58.200 0.501 0.000 1.048 245 S CB 0.745 64.208 63.200 0.439 0.000 1.053 245 S HN 0.519 nan 8.310 nan 0.000 0.501 246 A N 3.011 126.007 122.820 0.294 0.000 2.312 246 A HA 0.807 5.118 4.320 -0.014 0.000 0.326 246 A C -0.588 177.089 177.584 0.155 0.000 1.172 246 A CA -0.538 51.597 52.037 0.164 0.000 0.821 246 A CB 0.789 19.630 19.000 -0.266 0.000 1.166 246 A HN 0.626 nan 8.150 nan 0.000 0.493 247 K N 0.933 121.436 120.400 0.172 0.000 2.468 247 K HA 0.652 4.964 4.320 -0.014 0.000 0.252 247 K C -0.371 176.295 176.600 0.110 0.000 0.932 247 K CA -0.078 56.289 56.287 0.134 0.000 0.794 247 K CB 1.910 34.502 32.500 0.154 0.000 1.241 247 K HN 0.991 nan 8.250 nan 0.000 0.428 248 A N 4.931 127.800 122.820 0.081 0.000 2.425 248 A HA 0.421 4.733 4.320 -0.014 0.000 0.249 248 A C -2.094 175.540 177.584 0.084 0.000 1.084 248 A CA -0.835 51.248 52.037 0.076 0.000 0.781 248 A CB -0.432 18.601 19.000 0.055 0.000 1.019 248 A HN 0.608 nan 8.150 nan 0.000 0.490 249 P HA 0.184 nan 4.420 nan 0.000 0.277 249 P C -0.227 177.111 177.300 0.063 0.000 1.276 249 P CA -0.214 62.940 63.100 0.089 0.000 0.788 249 P CB 0.718 32.496 31.700 0.130 0.000 1.114 250 N N -0.925 117.794 118.700 0.032 0.000 2.348 250 N HA -0.049 4.683 4.740 -0.014 0.000 0.183 250 N C 1.202 176.703 175.510 -0.015 0.000 1.094 250 N CA 0.563 53.621 53.050 0.014 0.000 0.885 250 N CB -0.279 38.214 38.487 0.009 0.000 1.065 250 N HN 0.529 nan 8.380 nan 0.000 0.472 251 D N -0.079 120.272 120.400 -0.081 0.000 2.232 251 D HA -0.069 4.563 4.640 -0.014 0.000 0.220 251 D C 1.338 177.524 176.300 -0.191 0.000 0.982 251 D CA 0.712 54.592 54.000 -0.200 0.000 0.892 251 D CB -0.767 39.800 40.800 -0.389 0.000 1.040 251 D HN 0.066 nan 8.370 nan 0.000 0.463 252 F N 0.972 120.951 119.950 0.049 0.000 2.259 252 F HA 0.091 4.610 4.527 -0.014 0.000 0.298 252 F C 1.427 177.249 175.800 0.036 0.000 1.088 252 F CA 0.467 58.495 58.000 0.048 0.000 1.358 252 F CB -0.866 38.158 39.000 0.040 0.000 1.040 252 F HN -0.052 nan 8.300 nan 0.000 0.505 253 N N 1.328 120.136 118.700 0.180 0.000 3.298 253 N HA 0.243 4.974 4.740 -0.014 0.000 0.292 253 N C 0.208 175.750 175.510 0.055 0.000 1.271 253 N CA 0.058 53.170 53.050 0.103 0.000 1.184 253 N CB 0.109 38.649 38.487 0.089 0.000 1.452 253 N HN 0.037 nan 8.380 nan 0.000 0.534 254 L N 0.298 121.559 121.223 0.064 0.000 1.388 254 L HA -0.085 4.247 4.340 -0.014 0.000 0.033 254 L C -0.948 175.981 176.870 0.098 0.000 1.739 254 L CA 0.198 55.072 54.840 0.058 0.000 0.974 254 L CB -0.781 41.312 42.059 0.056 0.000 1.736 254 L HN 0.300 nan 8.230 nan 0.000 0.387 255 K N 2.278 122.733 120.400 0.093 0.000 2.245 255 K HA 0.379 4.691 4.320 -0.014 0.000 0.281 255 K C -0.891 175.845 176.600 0.226 0.000 1.079 255 K CA 0.664 57.041 56.287 0.150 0.000 1.000 255 K CB -0.031 32.517 32.500 0.079 0.000 1.038 255 K HN 0.306 nan 8.250 nan 0.000 0.430 256 D N 3.748 124.287 120.400 0.231 0.000 2.861 256 D HA 0.253 4.885 4.640 -0.014 0.000 0.216 256 D C -1.021 175.288 176.300 0.014 0.000 1.323 256 D CA -0.740 53.336 54.000 0.126 0.000 0.917 256 D CB 0.531 41.354 40.800 0.039 0.000 1.582 256 D HN 0.277 nan 8.370 nan 0.000 0.576 257 F N 1.893 121.875 119.950 0.054 0.000 2.982 257 F HA 0.492 5.011 4.527 -0.014 0.000 0.227 257 F C 0.517 176.338 175.800 0.035 0.000 1.432 257 F CA -0.415 57.611 58.000 0.043 0.000 0.946 257 F CB -0.915 38.108 39.000 0.038 0.000 1.994 257 F HN 0.375 nan 8.300 nan 0.000 0.462 258 N N -0.266 118.543 118.700 0.182 0.000 2.642 258 N HA -0.087 4.644 4.740 -0.014 0.000 0.269 258 N C -0.719 174.802 175.510 0.019 0.000 1.073 258 N CA 0.305 53.411 53.050 0.095 0.000 0.748 258 N CB -2.315 36.166 38.487 -0.009 0.000 0.894 258 N HN 1.933 nan 8.380 nan 0.000 0.548 259 V N -4.036 115.917 119.914 0.065 0.000 3.790 259 V HA 0.167 4.279 4.120 -0.014 0.000 0.528 259 V C 1.130 177.238 176.094 0.023 0.000 0.682 259 V CA 0.628 62.957 62.300 0.048 0.000 2.075 259 V CB -1.355 30.492 31.823 0.040 0.000 2.474 259 V HN 1.850 nan 8.190 nan 0.000 0.516 260 G N 2.086 110.907 108.800 0.035 0.000 5.005 260 G HA2 0.720 4.671 3.960 -0.014 0.000 0.222 260 G HA3 0.720 4.671 3.960 -0.014 0.000 0.222 260 G C 0.868 175.787 174.900 0.031 0.000 1.437 260 G CA 0.815 45.928 45.100 0.021 0.000 0.894 260 G HN 3.173 nan 8.290 nan 0.000 0.394 261 G N -0.359 108.472 108.800 0.051 0.000 3.413 261 G HA2 -0.123 3.829 3.960 -0.014 0.000 0.556 261 G HA3 -0.123 3.829 3.960 -0.014 0.000 0.556 261 G C 0.338 175.279 174.900 0.067 0.000 0.870 261 G CA 0.349 45.484 45.100 0.058 0.000 0.729 261 G HN 1.354 nan 8.290 nan 0.000 0.428 262 Y N 3.520 123.833 120.300 0.022 0.000 2.181 262 Y HA -0.077 4.465 4.550 -0.014 0.000 0.288 262 Y C 2.483 178.394 175.900 0.019 0.000 1.146 262 Y CA 2.078 60.191 58.100 0.023 0.000 1.164 262 Y CB 0.000 38.472 38.460 0.020 0.000 0.982 262 Y HN 0.531 nan 8.280 nan 0.000 0.515 263 I N 0.158 120.651 120.570 -0.129 0.000 2.163 263 I HA -0.260 3.902 4.170 -0.014 0.000 0.240 263 I C 2.335 178.359 176.117 -0.155 0.000 1.081 263 I CA 1.247 62.440 61.300 -0.177 0.000 1.353 263 I CB -1.316 36.675 38.000 -0.015 0.000 1.054 263 I HN 0.303 nan 8.210 nan 0.000 0.407 264 Q N 0.934 120.688 119.800 -0.075 0.000 2.077 264 Q HA -0.184 4.148 4.340 -0.014 0.000 0.206 264 Q C 2.371 178.323 176.000 -0.080 0.000 0.989 264 Q CA 2.146 57.913 55.803 -0.059 0.000 0.853 264 Q CB -0.585 28.137 28.738 -0.027 0.000 0.907 264 Q HN 0.550 nan 8.270 nan 0.000 0.418 265 A N -0.161 122.603 122.820 -0.094 0.000 2.076 265 A HA -0.125 4.186 4.320 -0.014 0.000 0.220 265 A C 2.334 179.844 177.584 -0.122 0.000 1.160 265 A CA 1.590 53.575 52.037 -0.086 0.000 0.653 265 A CB -0.343 18.619 19.000 -0.064 0.000 0.801 265 A HN 0.233 nan 8.150 nan 0.000 0.455 266 V N -0.466 119.322 119.914 -0.210 0.000 2.500 266 V HA -0.103 4.009 4.120 -0.014 0.000 0.243 266 V C 2.376 178.408 176.094 -0.103 0.000 1.039 266 V CA 1.402 63.590 62.300 -0.187 0.000 1.053 266 V CB -0.574 31.068 31.823 -0.302 0.000 0.695 266 V HN 0.564 nan 8.190 nan 0.000 0.463 267 L N -0.090 121.076 121.223 -0.095 0.000 2.201 267 L HA -0.112 4.220 4.340 -0.014 0.000 0.212 267 L C 1.853 178.701 176.870 -0.037 0.000 1.105 267 L CA 1.107 55.915 54.840 -0.052 0.000 0.775 267 L CB -0.618 41.414 42.059 -0.044 0.000 0.913 267 L HN 0.303 nan 8.230 nan 0.000 0.440 268 D N 0.027 120.403 120.400 -0.040 0.000 2.363 268 D HA -0.057 4.575 4.640 -0.014 0.000 0.220 268 D C 2.170 178.462 176.300 -0.014 0.000 0.994 268 D CA 0.435 54.420 54.000 -0.025 0.000 0.890 268 D CB 0.060 40.846 40.800 -0.024 0.000 0.906 268 D HN 0.226 nan 8.370 nan 0.000 0.530 269 R N 0.786 121.278 120.500 -0.014 0.000 2.096 269 R HA -0.022 4.309 4.340 -0.014 0.000 0.235 269 R C 0.713 177.017 176.300 0.008 0.000 1.127 269 R CA 0.725 56.826 56.100 0.003 0.000 0.968 269 R CB -0.305 29.997 30.300 0.003 0.000 0.861 269 R HN 0.332 nan 8.270 nan 0.000 0.440 270 N N 0.710 119.414 118.700 0.006 0.000 2.868 270 N HA 0.083 4.814 4.740 -0.014 0.000 0.252 270 N C -0.181 175.333 175.510 0.007 0.000 1.130 270 N CA 0.012 53.071 53.050 0.015 0.000 1.026 270 N CB 1.096 39.596 38.487 0.023 0.000 1.335 270 N HN 0.040 nan 8.380 nan 0.000 0.516 271 L N 0.785 122.009 121.223 0.002 0.000 1.967 271 L HA 0.149 4.480 4.340 -0.014 0.000 0.222 271 L C 1.816 178.672 176.870 -0.023 0.000 1.189 271 L CA 0.537 55.371 54.840 -0.009 0.000 1.303 271 L CB -0.658 41.394 42.059 -0.012 0.000 2.607 271 L HN 0.452 nan 8.230 nan 0.000 0.524 272 A N -0.247 122.563 122.820 -0.017 0.000 1.970 272 A HA -0.054 4.257 4.320 -0.014 0.000 0.216 272 A C 1.696 179.249 177.584 -0.051 0.000 1.170 272 A CA 1.563 53.580 52.037 -0.034 0.000 0.645 272 A CB -0.281 18.725 19.000 0.011 0.000 0.816 272 A HN 0.496 nan 8.150 nan 0.000 0.447 273 E N 0.160 120.351 120.200 -0.013 0.000 2.502 273 E HA -0.034 4.307 4.350 -0.014 0.000 0.194 273 E C 0.813 177.415 176.600 0.004 0.000 1.062 273 E CA -0.035 56.365 56.400 0.000 0.000 0.867 273 E CB -0.065 29.658 29.700 0.038 0.000 0.888 273 E HN 0.442 nan 8.360 nan 0.000 0.510 274 N N 0.950 119.648 118.700 -0.003 0.000 2.396 274 N HA -0.043 4.689 4.740 -0.014 0.000 0.180 274 N C 1.603 177.123 175.510 0.016 0.000 1.028 274 N CA 0.548 53.614 53.050 0.027 0.000 0.893 274 N CB 0.052 38.551 38.487 0.020 0.000 0.967 274 N HN 0.259 nan 8.380 nan 0.000 0.440 275 I N 0.550 121.072 120.570 -0.081 0.000 2.315 275 I HA -0.231 3.931 4.170 -0.014 0.000 0.251 275 I C 0.917 177.001 176.117 -0.055 0.000 1.125 275 I CA 1.148 62.360 61.300 -0.147 0.000 1.392 275 I CB -0.139 37.589 38.000 -0.454 0.000 1.065 275 I HN 0.094 nan 8.210 nan 0.000 0.424 276 S N -0.663 115.029 115.700 -0.014 0.000 2.588 276 S HA 0.230 4.692 4.470 -0.014 0.000 0.245 276 S C 1.300 176.044 174.600 0.239 0.000 1.021 276 S CA -0.624 57.646 58.200 0.117 0.000 1.006 276 S CB 0.408 63.669 63.200 0.101 0.000 0.830 276 S HN 0.218 nan 8.310 nan 0.000 0.468 277 R N 1.426 122.072 120.500 0.244 0.000 2.075 277 R HA 0.285 4.617 4.340 -0.014 0.000 0.226 277 R C 0.343 176.901 176.300 0.430 0.000 1.114 277 R CA 0.924 57.207 56.100 0.305 0.000 0.972 277 R CB -0.135 30.313 30.300 0.248 0.000 0.869 277 R HN 0.378 nan 8.270 nan 0.000 0.437 278 V N 0.578 120.713 119.914 0.368 0.000 2.808 278 V HA 0.357 4.468 4.120 -0.014 0.000 0.308 278 V C -1.275 174.792 176.094 -0.044 0.000 1.099 278 V CA -1.348 61.083 62.300 0.217 0.000 0.920 278 V CB 1.816 33.687 31.823 0.079 0.000 1.014 278 V HN 0.203 nan 8.190 nan 0.000 0.425 279 L N 6.342 127.254 121.223 -0.518 0.000 2.416 279 L HA 0.452 4.784 4.340 -0.014 0.000 0.272 279 L C -0.899 175.780 176.870 -0.319 0.000 1.161 279 L CA 0.076 54.351 54.840 -0.942 0.000 0.845 279 L CB 0.546 42.003 42.059 -1.003 0.000 1.119 279 L HN 0.728 nan 8.230 nan 0.000 0.464 280 Y N 6.387 126.598 120.300 -0.148 0.000 2.496 280 Y HA 0.168 4.710 4.550 -0.014 0.000 0.334 280 Y C -1.351 174.547 175.900 -0.003 0.000 1.080 280 Y CA -1.167 56.919 58.100 -0.023 0.000 1.355 280 Y CB 0.467 38.941 38.460 0.023 0.000 1.193 280 Y HN 0.523 nan 8.280 nan 0.000 0.523 281 P HA -0.043 nan 4.420 nan 0.000 0.253 281 P C -0.512 176.952 177.300 0.273 0.000 1.459 281 P CA 0.181 63.408 63.100 0.212 0.000 0.908 281 P CB 0.183 32.082 31.700 0.333 0.000 1.470 282 N N 2.087 120.946 118.700 0.265 0.000 2.408 282 N HA 0.043 4.774 4.740 -0.014 0.000 0.257 282 N C -0.456 175.226 175.510 0.286 0.000 1.064 282 N CA -0.191 53.055 53.050 0.327 0.000 0.952 282 N CB 0.863 39.533 38.487 0.305 0.000 1.093 282 N HN 0.138 nan 8.380 nan 0.000 0.490 283 D N 3.538 124.107 120.400 0.282 0.000 2.210 283 D HA 0.008 4.640 4.640 -0.014 0.000 0.249 283 D C -0.333 176.034 176.300 0.111 0.000 1.062 283 D CA -0.258 53.857 54.000 0.191 0.000 0.891 283 D CB 0.660 41.582 40.800 0.203 0.000 1.186 283 D HN 0.461 nan 8.370 nan 0.000 0.432 284 N N 1.861 120.638 118.700 0.128 0.000 2.903 284 N HA -0.218 4.514 4.740 -0.014 0.000 0.296 284 N C -1.171 174.342 175.510 0.005 0.000 1.037 284 N CA 1.106 54.207 53.050 0.086 0.000 0.841 284 N CB -0.684 37.826 38.487 0.037 0.000 0.958 284 N HN 0.329 nan 8.380 nan 0.000 0.605 285 F N 0.165 120.215 119.950 0.166 0.000 2.741 285 F HA 0.500 5.019 4.527 -0.014 0.000 0.313 285 F C -0.549 175.352 175.800 0.169 0.000 1.153 285 F CA -1.086 56.983 58.000 0.115 0.000 0.931 285 F CB 0.953 39.969 39.000 0.026 0.000 1.335 285 F HN -0.010 nan 8.300 nan 0.000 0.460 286 F N 2.025 122.076 119.950 0.168 0.000 2.579 286 F HA 0.509 5.027 4.527 -0.014 0.000 0.325 286 F C -0.816 174.913 175.800 -0.118 0.000 1.162 286 F CA -0.538 57.449 58.000 -0.022 0.000 0.946 286 F CB 1.193 40.139 39.000 -0.090 0.000 1.211 286 F HN 0.303 nan 8.300 nan 0.000 0.447 287 E N 4.233 124.014 120.200 -0.697 0.000 2.055 287 E HA 0.280 4.622 4.350 -0.014 0.000 0.274 287 E C 0.167 176.096 176.600 -1.118 0.000 0.949 287 E CA -0.354 55.615 56.400 -0.719 0.000 0.775 287 E CB 1.550 31.063 29.700 -0.313 0.000 1.097 287 E HN 0.885 nan 8.360 nan 0.000 0.404 288 G N 3.507 111.661 108.800 -1.077 0.000 3.541 288 G HA2 0.066 4.017 3.960 -0.014 0.000 0.253 288 G HA3 0.066 4.017 3.960 -0.014 0.000 0.253 288 G C 0.244 175.137 174.900 -0.012 0.000 1.017 288 G CA -0.236 44.406 45.100 -0.764 0.000 1.832 288 G HN 0.009 nan 8.290 nan 0.000 0.649 289 K N 0.184 120.618 120.400 0.057 0.000 2.159 289 K HA 0.279 4.591 4.320 -0.014 0.000 0.266 289 K C 1.093 177.838 176.600 0.242 0.000 0.975 289 K CA -0.888 55.486 56.287 0.145 0.000 0.865 289 K CB 1.950 34.499 32.500 0.082 0.000 1.087 289 K HN 0.252 nan 8.250 nan 0.000 0.446 290 E N 1.580 121.877 120.200 0.161 0.000 2.085 290 E HA -0.211 4.130 4.350 -0.014 0.000 0.194 290 E C 1.349 177.981 176.600 0.053 0.000 0.994 290 E CA 1.087 57.531 56.400 0.073 0.000 0.801 290 E CB 0.136 29.884 29.700 0.080 0.000 0.743 290 E HN 0.406 nan 8.360 nan 0.000 0.453 291 L N 1.151 122.447 121.223 0.121 0.000 2.187 291 L HA -0.167 4.164 4.340 -0.014 0.000 0.213 291 L C 2.316 179.304 176.870 0.197 0.000 1.100 291 L CA 1.467 56.405 54.840 0.162 0.000 0.765 291 L CB -0.295 41.928 42.059 0.272 0.000 0.904 291 L HN 0.006 nan 8.230 nan 0.000 0.437 292 R N -0.994 119.566 120.500 0.099 0.000 2.062 292 R HA -0.022 4.309 4.340 -0.014 0.000 0.226 292 R C 2.117 178.505 176.300 0.147 0.000 1.125 292 R CA 1.198 57.303 56.100 0.009 0.000 0.966 292 R CB -0.821 29.369 30.300 -0.183 0.000 0.861 292 R HN 0.350 nan 8.270 nan 0.000 0.433 293 L N 1.704 122.922 121.223 -0.008 0.000 2.141 293 L HA -0.093 4.239 4.340 -0.014 0.000 0.209 293 L C 1.911 178.770 176.870 -0.018 0.000 1.094 293 L CA 1.763 56.419 54.840 -0.307 0.000 0.763 293 L CB -0.323 41.139 42.059 -0.995 0.000 0.908 293 L HN 0.007 nan 8.230 nan 0.000 0.437 294 K N -0.997 119.434 120.400 0.052 0.000 2.026 294 K HA -0.188 4.124 4.320 -0.014 0.000 0.208 294 K C 2.079 178.858 176.600 0.300 0.000 1.048 294 K CA 1.806 58.197 56.287 0.173 0.000 0.929 294 K CB -0.173 32.256 32.500 -0.118 0.000 0.713 294 K HN 0.460 nan 8.250 nan 0.000 0.439 295 Q N 0.560 120.501 119.800 0.235 0.000 2.096 295 Q HA -0.200 4.132 4.340 -0.014 0.000 0.204 295 Q C 1.940 178.147 176.000 0.345 0.000 0.982 295 Q CA 1.506 57.498 55.803 0.314 0.000 0.850 295 Q CB 0.001 28.945 28.738 0.345 0.000 0.901 295 Q HN 0.380 nan 8.270 nan 0.000 0.422 296 E N -0.293 120.076 120.200 0.282 0.000 2.047 296 E HA -0.200 4.142 4.350 -0.014 0.000 0.191 296 E C 1.759 178.500 176.600 0.235 0.000 0.987 296 E CA 0.901 57.454 56.400 0.255 0.000 0.799 296 E CB -0.156 29.687 29.700 0.238 0.000 0.752 296 E HN 0.315 nan 8.360 nan 0.000 0.449 297 Y N 0.786 121.142 120.300 0.093 0.000 2.145 297 Y HA -0.255 4.287 4.550 -0.014 0.000 0.286 297 Y C 2.030 177.972 175.900 0.071 0.000 1.145 297 Y CA 1.150 59.255 58.100 0.008 0.000 1.148 297 Y CB -0.577 37.849 38.460 -0.056 0.000 0.981 297 Y HN 0.013 nan 8.280 nan 0.000 0.507 298 F N -0.235 119.698 119.950 -0.029 0.000 2.065 298 F HA -0.270 4.248 4.527 -0.014 0.000 0.298 298 F C 2.572 178.219 175.800 -0.255 0.000 1.112 298 F CA 2.173 60.094 58.000 -0.132 0.000 1.212 298 F CB -1.111 37.969 39.000 0.133 0.000 0.975 298 F HN -0.057 nan 8.300 nan 0.000 0.476 299 V N -0.458 119.383 119.914 -0.122 0.000 2.515 299 V HA -0.170 3.942 4.120 -0.014 0.000 0.250 299 V C 2.118 178.077 176.094 -0.226 0.000 1.058 299 V CA 1.781 63.984 62.300 -0.161 0.000 1.064 299 V CB -0.427 31.526 31.823 0.216 0.000 0.675 299 V HN 0.260 nan 8.190 nan 0.000 0.461 300 V N 0.768 120.567 119.914 -0.192 0.000 2.223 300 V HA -0.213 3.899 4.120 -0.014 0.000 0.244 300 V C 2.899 178.757 176.094 -0.394 0.000 1.045 300 V CA 2.359 64.533 62.300 -0.210 0.000 1.000 300 V CB -1.409 30.353 31.823 -0.101 0.000 0.635 300 V HN 0.653 nan 8.190 nan 0.000 0.445 301 A N 0.000 122.425 122.820 -0.658 0.000 1.869 301 A HA -0.283 4.028 4.320 -0.014 0.000 0.218 301 A C 2.401 179.633 177.584 -0.587 0.000 1.203 301 A CA 3.018 54.661 52.037 -0.658 0.000 0.638 301 A CB -1.137 17.301 19.000 -0.936 0.000 0.831 301 A HN 0.664 nan 8.150 nan 0.000 0.450 302 A N -1.624 120.683 122.820 -0.855 0.000 1.877 302 A HA -0.064 4.248 4.320 -0.014 0.000 0.216 302 A C 2.317 179.425 177.584 -0.793 0.000 1.186 302 A CA 2.325 53.699 52.037 -1.104 0.000 0.620 302 A CB -1.339 16.421 19.000 -2.067 0.000 0.822 302 A HN 0.464 nan 8.150 nan 0.000 0.443 303 T N 0.144 114.363 114.554 -0.558 0.000 2.746 303 T HA -0.115 4.227 4.350 -0.014 0.000 0.267 303 T C 1.673 176.135 174.700 -0.396 0.000 1.039 303 T CA 1.567 63.457 62.100 -0.350 0.000 1.142 303 T CB -0.305 68.317 68.868 -0.411 0.000 0.866 303 T HN 0.223 nan 8.240 nan 0.000 0.444 304 L N 0.926 121.955 121.223 -0.323 0.000 2.275 304 L HA 0.003 4.335 4.340 -0.014 0.000 0.215 304 L C 2.576 179.351 176.870 -0.158 0.000 1.119 304 L CA 1.377 56.077 54.840 -0.233 0.000 0.790 304 L CB -0.527 41.434 42.059 -0.162 0.000 0.919 304 L HN 0.286 nan 8.230 nan 0.000 0.443 305 Q N -1.095 118.608 119.800 -0.162 0.000 2.123 305 Q HA -0.192 4.140 4.340 -0.014 0.000 0.199 305 Q C 1.450 177.443 176.000 -0.012 0.000 0.966 305 Q CA 1.284 57.043 55.803 -0.074 0.000 0.845 305 Q CB -0.007 28.673 28.738 -0.096 0.000 0.907 305 Q HN 0.402 nan 8.270 nan 0.000 0.439 306 D N 0.337 120.722 120.400 -0.025 0.000 2.234 306 D HA -0.012 4.619 4.640 -0.014 0.000 0.205 306 D C 1.639 177.899 176.300 -0.067 0.000 0.962 306 D CA 0.523 54.551 54.000 0.047 0.000 0.855 306 D CB 0.155 41.066 40.800 0.186 0.000 0.951 306 D HN 0.182 nan 8.370 nan 0.000 0.500 307 I N 0.398 120.824 120.570 -0.240 0.000 2.133 307 I HA -0.213 3.949 4.170 -0.014 0.000 0.238 307 I C 2.254 178.407 176.117 0.060 0.000 1.074 307 I CA 0.570 61.678 61.300 -0.321 0.000 1.342 307 I CB -0.015 37.694 38.000 -0.485 0.000 1.053 307 I HN -0.001 nan 8.210 nan 0.000 0.404 308 I N 0.353 121.015 120.570 0.154 0.000 2.226 308 I HA -0.276 3.885 4.170 -0.014 0.000 0.245 308 I C 2.695 178.970 176.117 0.264 0.000 1.100 308 I CA 1.287 62.785 61.300 0.330 0.000 1.374 308 I CB -1.070 37.066 38.000 0.226 0.000 1.057 308 I HN 0.346 nan 8.210 nan 0.000 0.413 309 R N 1.444 122.042 120.500 0.163 0.000 2.122 309 R HA -0.222 4.110 4.340 -0.014 0.000 0.236 309 R C 2.391 178.776 176.300 0.141 0.000 1.129 309 R CA 1.946 58.131 56.100 0.142 0.000 0.925 309 R CB -0.406 29.978 30.300 0.140 0.000 0.850 309 R HN 0.289 nan 8.270 nan 0.000 0.431 310 R N -0.814 119.773 120.500 0.146 0.000 2.105 310 R HA -0.171 4.161 4.340 -0.014 0.000 0.239 310 R C 2.266 178.645 176.300 0.132 0.000 1.135 310 R CA 1.730 57.921 56.100 0.151 0.000 0.967 310 R CB -0.461 29.932 30.300 0.156 0.000 0.861 310 R HN 0.263 nan 8.270 nan 0.000 0.442 311 F N 1.715 121.687 119.950 0.038 0.000 2.216 311 F HA -0.130 4.388 4.527 -0.014 0.000 0.300 311 F C 1.543 177.270 175.800 -0.122 0.000 1.085 311 F CA 1.456 59.427 58.000 -0.049 0.000 1.326 311 F CB 0.077 39.124 39.000 0.077 0.000 1.027 311 F HN -0.199 nan 8.300 nan 0.000 0.497 312 K N -0.390 119.904 120.400 -0.175 0.000 2.432 312 K HA -0.004 4.308 4.320 -0.014 0.000 0.196 312 K C 1.933 178.428 176.600 -0.175 0.000 1.038 312 K CA 0.840 56.970 56.287 -0.263 0.000 0.986 312 K CB 0.060 32.540 32.500 -0.035 0.000 0.782 312 K HN 0.230 nan 8.250 nan 0.000 0.485 313 S N -0.213 115.432 115.700 -0.090 0.000 2.346 313 S HA -0.063 4.399 4.470 -0.014 0.000 0.204 313 S C 1.268 175.801 174.600 -0.111 0.000 1.008 313 S CA 0.511 58.696 58.200 -0.025 0.000 0.925 313 S CB -0.013 63.261 63.200 0.123 0.000 0.903 313 S HN 0.383 nan 8.310 nan 0.000 0.537 314 S N 1.230 116.859 115.700 -0.119 0.000 4.158 314 S HA -0.376 4.086 4.470 -0.014 0.000 0.538 314 S C 0.800 175.336 174.600 -0.108 0.000 1.651 314 S CA 2.302 60.430 58.200 -0.120 0.000 4.023 314 S CB -1.221 61.813 63.200 -0.277 0.000 1.272 314 S HN 0.552 nan 8.310 nan 0.000 0.455 315 K N -1.335 119.082 120.400 0.028 0.000 2.608 315 K HA 0.297 4.609 4.320 -0.014 0.000 0.209 315 K C 0.934 177.587 176.600 0.088 0.000 1.369 315 K CA 0.335 56.622 56.287 -0.000 0.000 1.029 315 K CB 0.135 32.619 32.500 -0.027 0.000 1.139 315 K HN 0.360 nan 8.250 nan 0.000 0.623 316 F N 1.270 121.090 119.950 -0.217 0.000 2.325 316 F HA 0.064 4.583 4.527 -0.014 0.000 0.299 316 F C 1.724 177.421 175.800 -0.173 0.000 1.090 316 F CA 0.604 58.475 58.000 -0.215 0.000 1.392 316 F CB -0.308 38.484 39.000 -0.346 0.000 1.053 316 F HN -0.041 nan 8.300 nan 0.000 0.521 317 G N -1.308 107.509 108.800 0.029 0.000 2.985 317 G HA2 0.375 4.326 3.960 -0.014 0.000 0.282 317 G HA3 0.375 4.326 3.960 -0.014 0.000 0.282 317 G C -0.013 174.886 174.900 -0.002 0.000 0.791 317 G CA 0.411 45.510 45.100 -0.002 0.000 1.934 317 G HN 0.460 nan 8.290 nan 0.000 0.563 318 C N -0.326 118.968 119.300 -0.010 0.000 4.349 318 C HA 0.084 4.536 4.460 -0.014 0.000 0.225 318 C C 0.928 175.888 174.990 -0.050 0.000 1.855 318 C CA 0.752 59.754 59.018 -0.026 0.000 1.701 318 C CB -0.514 27.203 27.740 -0.037 0.000 1.402 318 C HN 0.823 nan 8.230 nan 0.000 0.513 319 R N 0.402 120.847 120.500 -0.091 0.000 3.308 319 R HA 0.487 4.819 4.340 -0.014 0.000 0.091 319 R C 0.195 176.287 176.300 -0.347 0.000 0.485 319 R CA 1.035 57.039 56.100 -0.159 0.000 0.313 319 R CB -0.646 29.581 30.300 -0.121 0.000 0.358 319 R HN 0.266 nan 8.270 nan 0.000 0.321 320 D N -0.604 119.597 120.400 -0.333 0.000 4.086 320 D HA -0.160 4.472 4.640 -0.014 0.000 0.197 320 D C -1.651 174.403 176.300 -0.409 0.000 1.042 320 D CA 2.332 56.077 54.000 -0.426 0.000 2.327 320 D CB -1.942 38.412 40.800 -0.743 0.000 1.166 320 D HN 0.515 nan 8.370 nan 0.000 0.431 321 P HA 0.630 nan 4.420 nan 0.000 0.219 321 P C -0.435 176.748 177.300 -0.195 0.000 1.149 321 P CA 0.283 63.225 63.100 -0.262 0.000 0.755 321 P CB 0.964 32.542 31.700 -0.202 0.000 1.201 322 V N -1.093 118.741 119.914 -0.133 0.000 2.181 322 V HA 0.174 4.286 4.120 -0.014 0.000 0.313 322 V C -1.135 174.953 176.094 -0.010 0.000 1.682 322 V CA -0.344 61.921 62.300 -0.058 0.000 0.763 322 V CB 0.378 32.167 31.823 -0.057 0.000 1.210 322 V HN 0.954 nan 8.190 nan 0.000 0.289 323 R N 2.983 123.496 120.500 0.022 0.000 1.854 323 R HA -0.083 4.249 4.340 -0.014 0.000 0.373 323 R C -0.182 176.161 176.300 0.072 0.000 1.011 323 R CA 0.627 56.751 56.100 0.041 0.000 0.509 323 R CB -1.213 29.107 30.300 0.034 0.000 1.925 323 R HN 1.192 nan 8.270 nan 0.000 0.450 324 T N 3.356 117.957 114.554 0.078 0.000 2.432 324 T HA -0.175 4.166 4.350 -0.014 0.000 0.194 324 T C 0.350 175.136 174.700 0.142 0.000 1.205 324 T CA 1.235 63.389 62.100 0.089 0.000 3.771 324 T CB -0.790 68.126 68.868 0.080 0.000 0.650 324 T HN 0.406 nan 8.240 nan 0.000 0.228 325 N N 2.064 120.870 118.700 0.176 0.000 2.555 325 N HA 0.252 4.984 4.740 -0.014 0.000 0.244 325 N C 0.392 176.066 175.510 0.273 0.000 1.114 325 N CA -0.417 52.772 53.050 0.231 0.000 0.963 325 N CB 0.222 38.848 38.487 0.232 0.000 1.276 325 N HN 0.406 nan 8.380 nan 0.000 0.510 326 F N 0.798 120.885 119.950 0.228 0.000 2.771 326 F HA -0.041 4.478 4.527 -0.014 0.000 0.299 326 F C 1.303 177.155 175.800 0.087 0.000 1.177 326 F CA 0.494 58.572 58.000 0.130 0.000 1.450 326 F CB -0.033 38.907 39.000 -0.100 0.000 1.114 326 F HN 0.466 nan 8.300 nan 0.000 0.587 327 D N 0.436 120.997 120.400 0.269 0.000 2.116 327 D HA -0.250 4.382 4.640 -0.014 0.000 0.193 327 D C 2.246 178.665 176.300 0.198 0.000 0.998 327 D CA 1.584 55.703 54.000 0.200 0.000 0.836 327 D CB -0.193 40.716 40.800 0.182 0.000 0.951 327 D HN 0.246 nan 8.370 nan 0.000 0.449 328 A N -0.594 122.399 122.820 0.289 0.000 2.239 328 A HA -0.016 4.295 4.320 -0.014 0.000 0.209 328 A C 1.610 179.270 177.584 0.126 0.000 1.171 328 A CA 0.096 52.309 52.037 0.294 0.000 0.768 328 A CB -0.811 18.538 19.000 0.582 0.000 0.790 328 A HN 0.222 nan 8.150 nan 0.000 0.478 329 F N 2.135 121.917 119.950 -0.281 0.000 2.065 329 F HA -0.119 4.400 4.527 -0.014 0.000 0.298 329 F C -0.504 175.128 175.800 -0.281 0.000 1.112 329 F CA 2.183 59.778 58.000 -0.674 0.000 1.212 329 F CB -0.747 37.931 39.000 -0.536 0.000 0.975 329 F HN 0.202 nan 8.300 nan 0.000 0.476 330 P HA -0.146 nan 4.420 nan 0.000 0.223 330 P C 0.306 177.548 177.300 -0.096 0.000 1.144 330 P CA 1.578 64.606 63.100 -0.120 0.000 0.783 330 P CB -0.166 31.496 31.700 -0.063 0.000 0.771 331 D N -0.760 119.616 120.400 -0.039 0.000 2.340 331 D HA 0.048 4.680 4.640 -0.014 0.000 0.217 331 D C 1.424 177.729 176.300 0.010 0.000 1.081 331 D CA 0.350 54.356 54.000 0.009 0.000 0.842 331 D CB 0.391 41.233 40.800 0.069 0.000 0.934 331 D HN 0.237 nan 8.370 nan 0.000 0.511 332 K N -0.174 120.188 120.400 -0.064 0.000 2.502 332 K HA 0.161 4.473 4.320 -0.014 0.000 0.211 332 K C 0.094 176.607 176.600 -0.145 0.000 1.259 332 K CA 0.046 56.309 56.287 -0.040 0.000 0.983 332 K CB 2.461 35.018 32.500 0.096 0.000 1.054 332 K HN -0.053 nan 8.250 nan 0.000 0.572 333 V N 0.613 120.346 119.914 -0.300 0.000 2.760 333 V HA 0.780 4.892 4.120 -0.014 0.000 0.309 333 V C -1.964 174.021 176.094 -0.183 0.000 1.077 333 V CA -0.723 61.410 62.300 -0.278 0.000 0.910 333 V CB 1.901 33.360 31.823 -0.606 0.000 1.008 333 V HN 0.165 nan 8.190 nan 0.000 0.424 334 A N 6.445 129.214 122.820 -0.084 0.000 2.359 334 A HA 0.853 5.165 4.320 -0.014 0.000 0.303 334 A C -1.105 176.492 177.584 0.021 0.000 1.066 334 A CA -0.447 51.584 52.037 -0.011 0.000 0.730 334 A CB 1.353 20.338 19.000 -0.025 0.000 1.211 334 A HN 1.823 nan 8.150 nan 0.000 0.439 335 I N 0.894 121.530 120.570 0.110 0.000 2.382 335 I HA 0.641 4.803 4.170 -0.014 0.000 0.286 335 I C -0.538 175.678 176.117 0.166 0.000 1.002 335 I CA -0.365 61.022 61.300 0.144 0.000 1.135 335 I CB 1.867 39.932 38.000 0.107 0.000 1.288 335 I HN 0.531 nan 8.210 nan 0.000 0.448 336 Q N 5.990 125.890 119.800 0.166 0.000 2.322 336 Q HA 0.535 4.866 4.340 -0.014 0.000 0.256 336 Q C -1.578 174.441 176.000 0.032 0.000 0.960 336 Q CA -0.233 55.704 55.803 0.222 0.000 0.934 336 Q CB 1.065 30.046 28.738 0.405 0.000 1.200 336 Q HN 0.784 nan 8.270 nan 0.000 0.435 337 L N 4.240 125.515 121.223 0.087 0.000 2.283 337 L HA 0.313 4.644 4.340 -0.014 0.000 0.287 337 L C -0.073 176.838 176.870 0.067 0.000 1.073 337 L CA -0.146 54.728 54.840 0.057 0.000 0.822 337 L CB 0.514 42.637 42.059 0.107 0.000 1.186 337 L HN 0.542 nan 8.230 nan 0.000 0.436 338 N N 4.097 122.752 118.700 -0.075 0.000 2.439 338 N HA 0.148 4.880 4.740 -0.014 0.000 0.243 338 N C -0.223 175.329 175.510 0.069 0.000 1.088 338 N CA 0.384 53.443 53.050 0.015 0.000 0.940 338 N CB -0.055 38.339 38.487 -0.155 0.000 1.180 338 N HN 0.581 nan 8.380 nan 0.000 0.505 339 D N 0.281 120.830 120.400 0.248 0.000 6.122 339 D HA -0.218 4.414 4.640 -0.014 0.000 0.318 339 D C 0.212 176.542 176.300 0.049 0.000 2.527 339 D CA 1.435 55.550 54.000 0.190 0.000 1.441 339 D CB -0.455 40.197 40.800 -0.247 0.000 1.140 339 D HN 0.537 nan 8.370 nan 0.000 1.272 340 T N -2.007 112.486 114.554 -0.101 0.000 3.148 340 T HA 0.064 4.406 4.350 -0.014 0.000 0.253 340 T C 1.591 176.284 174.700 -0.013 0.000 1.134 340 T CA 1.522 63.543 62.100 -0.131 0.000 1.051 340 T CB -0.563 68.219 68.868 -0.144 0.000 0.959 340 T HN 0.502 nan 8.240 nan 0.000 0.525 341 H N 2.330 121.474 119.070 0.125 0.000 2.421 341 H HA 0.024 4.572 4.556 -0.014 0.000 0.298 341 H C -1.009 174.407 175.328 0.146 0.000 1.087 341 H CA 0.680 56.825 56.048 0.162 0.000 1.330 341 H CB -0.803 29.058 29.762 0.166 0.000 1.388 341 H HN 0.447 nan 8.280 nan 0.000 0.526 342 P HA 0.083 nan 4.420 nan 0.000 0.254 342 P C 0.590 177.928 177.300 0.063 0.000 1.620 342 P CA 0.245 63.420 63.100 0.125 0.000 1.050 342 P CB 0.338 32.103 31.700 0.109 0.000 1.539 343 S N -0.767 114.957 115.700 0.039 0.000 2.474 343 S HA -0.086 4.376 4.470 -0.014 0.000 0.235 343 S C 1.601 176.205 174.600 0.007 0.000 0.997 343 S CA 0.658 58.844 58.200 -0.024 0.000 0.949 343 S CB -0.922 62.234 63.200 -0.073 0.000 0.766 343 S HN -0.004 nan 8.310 nan 0.000 0.517 344 L N 1.553 122.799 121.223 0.038 0.000 2.465 344 L HA 0.306 4.638 4.340 -0.014 0.000 0.224 344 L C 2.702 179.609 176.870 0.062 0.000 1.145 344 L CA 0.530 55.392 54.840 0.038 0.000 0.834 344 L CB -1.863 40.215 42.059 0.031 0.000 0.944 344 L HN 0.442 nan 8.230 nan 0.000 0.451 345 A N 0.031 122.875 122.820 0.039 0.000 1.958 345 A HA -0.243 4.068 4.320 -0.014 0.000 0.221 345 A C 2.312 179.909 177.584 0.021 0.000 1.178 345 A CA 1.915 53.963 52.037 0.019 0.000 0.642 345 A CB -0.495 18.509 19.000 0.007 0.000 0.816 345 A HN 0.384 nan 8.150 nan 0.000 0.453 346 I N 0.246 120.830 120.570 0.022 0.000 2.094 346 I HA -0.137 4.024 4.170 -0.014 0.000 0.234 346 I C -0.274 175.883 176.117 0.066 0.000 1.063 346 I CA 1.521 62.840 61.300 0.031 0.000 1.328 346 I CB -1.142 36.877 38.000 0.031 0.000 1.058 346 I HN 0.222 nan 8.210 nan 0.000 0.400 347 P HA -0.225 nan 4.420 nan 0.000 0.217 347 P C 1.267 178.593 177.300 0.044 0.000 1.148 347 P CA 1.731 64.873 63.100 0.070 0.000 0.828 347 P CB -0.010 31.754 31.700 0.107 0.000 0.783 348 E N 0.077 120.379 120.200 0.170 0.000 2.072 348 E HA -0.134 4.208 4.350 -0.014 0.000 0.190 348 E C 1.934 178.533 176.600 -0.002 0.000 0.982 348 E CA 0.603 57.121 56.400 0.196 0.000 0.803 348 E CB -1.236 28.636 29.700 0.287 0.000 0.755 348 E HN 0.037 nan 8.360 nan 0.000 0.453 349 L N -0.085 121.114 121.223 -0.040 0.000 2.141 349 L HA -0.044 4.288 4.340 -0.014 0.000 0.209 349 L C 2.043 178.798 176.870 -0.190 0.000 1.094 349 L CA 1.506 56.270 54.840 -0.126 0.000 0.763 349 L CB -0.393 41.607 42.059 -0.098 0.000 0.908 349 L HN 0.222 nan 8.230 nan 0.000 0.437 350 M N -1.019 118.489 119.600 -0.154 0.000 2.175 350 M HA -0.165 4.307 4.480 -0.014 0.000 0.264 350 M C 2.383 178.541 176.300 -0.238 0.000 1.063 350 M CA 1.338 56.505 55.300 -0.221 0.000 1.119 350 M CB -1.052 31.428 32.600 -0.200 0.000 1.377 350 M HN 0.313 nan 8.290 nan 0.000 0.415 351 R N -0.133 120.231 120.500 -0.226 0.000 2.062 351 R HA -0.103 4.229 4.340 -0.014 0.000 0.231 351 R C 2.075 178.265 176.300 -0.183 0.000 1.136 351 R CA 1.482 57.435 56.100 -0.244 0.000 0.948 351 R CB -0.136 29.952 30.300 -0.354 0.000 0.845 351 R HN 0.173 nan 8.270 nan 0.000 0.430 352 V N 1.531 121.345 119.914 -0.167 0.000 2.358 352 V HA -0.233 3.879 4.120 -0.014 0.000 0.246 352 V C 2.352 178.295 176.094 -0.253 0.000 1.047 352 V CA 1.612 63.812 62.300 -0.165 0.000 1.035 352 V CB -0.358 31.373 31.823 -0.153 0.000 0.658 352 V HN 0.344 nan 8.190 nan 0.000 0.452 353 L N -0.942 120.072 121.223 -0.349 0.000 2.093 353 L HA -0.104 4.228 4.340 -0.014 0.000 0.208 353 L C 2.349 179.048 176.870 -0.284 0.000 1.085 353 L CA 0.965 55.541 54.840 -0.441 0.000 0.755 353 L CB -0.566 41.185 42.059 -0.512 0.000 0.904 353 L HN 0.192 nan 8.230 nan 0.000 0.435 354 V N -0.604 119.179 119.914 -0.218 0.000 2.341 354 V HA -0.142 3.970 4.120 -0.014 0.000 0.240 354 V C 1.996 178.035 176.094 -0.092 0.000 1.035 354 V CA 1.501 63.721 62.300 -0.134 0.000 1.033 354 V CB -0.137 31.613 31.823 -0.121 0.000 0.678 354 V HN 0.316 nan 8.190 nan 0.000 0.464 355 D N 0.212 120.552 120.400 -0.101 0.000 2.084 355 D HA -0.064 4.568 4.640 -0.014 0.000 0.196 355 D C 2.086 178.351 176.300 -0.057 0.000 0.985 355 D CA 1.367 55.324 54.000 -0.071 0.000 0.826 355 D CB -0.145 40.603 40.800 -0.086 0.000 0.978 355 D HN 0.282 nan 8.370 nan 0.000 0.456 356 L N -0.097 121.083 121.223 -0.072 0.000 2.202 356 L HA 0.051 4.383 4.340 -0.014 0.000 0.205 356 L C 1.978 178.823 176.870 -0.043 0.000 1.083 356 L CA 0.787 55.599 54.840 -0.046 0.000 0.790 356 L CB -0.133 41.901 42.059 -0.040 0.000 0.942 356 L HN -0.096 nan 8.230 nan 0.000 0.452 357 E N -0.105 120.041 120.200 -0.091 0.000 2.452 357 E HA 0.036 4.378 4.350 -0.014 0.000 0.197 357 E C 0.182 176.755 176.600 -0.046 0.000 1.022 357 E CA -0.071 56.283 56.400 -0.077 0.000 0.890 357 E CB 0.399 29.958 29.700 -0.235 0.000 0.918 357 E HN 0.054 nan 8.360 nan 0.000 0.496 358 R N -0.685 119.781 120.500 -0.056 0.000 3.774 358 R HA -0.190 4.141 4.340 -0.014 0.000 0.320 358 R C -0.706 175.587 176.300 -0.011 0.000 1.175 358 R CA 0.330 56.419 56.100 -0.019 0.000 0.849 358 R CB -2.742 27.564 30.300 0.011 0.000 1.365 358 R HN 0.124 nan 8.270 nan 0.000 0.502 359 L N 1.756 122.949 121.223 -0.050 0.000 2.456 359 L HA 0.173 4.505 4.340 -0.014 0.000 0.257 359 L C 1.386 178.254 176.870 -0.003 0.000 1.162 359 L CA 0.139 54.964 54.840 -0.025 0.000 0.808 359 L CB 0.340 42.353 42.059 -0.076 0.000 1.136 359 L HN 0.094 nan 8.230 nan 0.000 0.466 360 D N -0.615 119.808 120.400 0.037 0.000 2.344 360 D HA -0.104 4.528 4.640 -0.014 0.000 0.244 360 D C 0.748 177.115 176.300 0.111 0.000 1.134 360 D CA -0.499 53.553 54.000 0.087 0.000 0.930 360 D CB 0.697 41.558 40.800 0.101 0.000 1.175 360 D HN 0.617 nan 8.370 nan 0.000 0.437 361 W N 1.565 122.866 121.300 0.001 0.000 2.317 361 W HA -0.208 4.444 4.660 -0.014 0.000 0.318 361 W C 1.738 178.290 176.519 0.055 0.000 1.227 361 W CA 1.890 59.234 57.345 -0.001 0.000 1.269 361 W CB -0.009 29.427 29.460 -0.040 0.000 1.155 361 W HN 0.430 nan 8.180 nan 0.000 0.484 362 D N -0.205 120.484 120.400 0.482 0.000 2.178 362 D HA -0.188 4.444 4.640 -0.014 0.000 0.202 362 D C 2.017 178.451 176.300 0.223 0.000 0.974 362 D CA 1.072 55.324 54.000 0.420 0.000 0.841 362 D CB -0.333 40.663 40.800 0.326 0.000 0.953 362 D HN 0.087 nan 8.370 nan 0.000 0.478 363 K N 1.495 121.972 120.400 0.128 0.000 2.057 363 K HA -0.017 4.294 4.320 -0.014 0.000 0.206 363 K C 1.904 178.508 176.600 0.006 0.000 1.050 363 K CA 0.910 57.239 56.287 0.070 0.000 0.935 363 K CB -0.348 32.184 32.500 0.054 0.000 0.715 363 K HN 0.006 nan 8.250 nan 0.000 0.439 364 A N 0.079 122.859 122.820 -0.066 0.000 2.067 364 A HA -0.143 4.169 4.320 -0.014 0.000 0.219 364 A C 2.067 179.568 177.584 -0.139 0.000 1.158 364 A CA 0.802 52.734 52.037 -0.174 0.000 0.661 364 A CB -0.801 18.034 19.000 -0.275 0.000 0.801 364 A HN 0.624 nan 8.150 nan 0.000 0.452 365 W N 0.416 121.489 121.300 -0.378 0.000 2.453 365 W HA -0.084 4.568 4.660 -0.014 0.000 0.289 365 W C 1.957 178.398 176.519 -0.130 0.000 1.215 365 W CA 1.276 58.407 57.345 -0.356 0.000 1.297 365 W CB 0.059 29.296 29.460 -0.372 0.000 1.113 365 W HN 0.559 nan 8.180 nan 0.000 0.551 366 E N 0.362 120.556 120.200 -0.011 0.000 2.077 366 E HA -0.198 4.143 4.350 -0.014 0.000 0.193 366 E C 1.969 178.496 176.600 -0.122 0.000 0.989 366 E CA 1.499 57.854 56.400 -0.075 0.000 0.800 366 E CB -0.237 29.479 29.700 0.026 0.000 0.746 366 E HN 0.088 nan 8.360 nan 0.000 0.452 367 V N 0.798 120.658 119.914 -0.090 0.000 2.379 367 V HA -0.209 3.902 4.120 -0.014 0.000 0.245 367 V C 2.396 178.429 176.094 -0.101 0.000 1.044 367 V CA 2.055 64.318 62.300 -0.060 0.000 1.036 367 V CB -0.624 31.165 31.823 -0.056 0.000 0.664 367 V HN 0.351 nan 8.190 nan 0.000 0.453 368 T N 0.990 115.424 114.554 -0.199 0.000 2.622 368 T HA -0.209 4.133 4.350 -0.014 0.000 0.266 368 T C 1.972 176.490 174.700 -0.304 0.000 1.047 368 T CA 2.160 64.119 62.100 -0.235 0.000 1.159 368 T CB -0.506 68.188 68.868 -0.290 0.000 0.863 368 T HN 0.493 nan 8.240 nan 0.000 0.422 369 V N 0.523 120.125 119.914 -0.519 0.000 2.407 369 V HA -0.105 4.007 4.120 -0.014 0.000 0.248 369 V C 2.133 178.140 176.094 -0.145 0.000 1.055 369 V CA 1.518 63.585 62.300 -0.388 0.000 1.049 369 V CB -0.769 30.765 31.823 -0.482 0.000 0.662 369 V HN 0.354 nan 8.190 nan 0.000 0.455 370 K N 0.667 120.952 120.400 -0.192 0.000 2.283 370 K HA -0.091 4.220 4.320 -0.014 0.000 0.202 370 K C 2.295 178.744 176.600 -0.253 0.000 1.048 370 K CA 1.705 57.826 56.287 -0.276 0.000 0.948 370 K CB -0.244 32.137 32.500 -0.198 0.000 0.742 370 K HN 0.781 nan 8.250 nan 0.000 0.458 371 T N -1.954 112.556 114.554 -0.073 0.000 3.037 371 T HA 0.062 4.403 4.350 -0.014 0.000 0.252 371 T C 0.909 175.679 174.700 0.116 0.000 1.073 371 T CA -0.216 61.881 62.100 -0.005 0.000 1.091 371 T CB -0.065 68.807 68.868 0.008 0.000 0.935 371 T HN 0.006 nan 8.240 nan 0.000 0.488 372 C N 2.388 121.763 119.300 0.125 0.000 2.405 372 C HA 0.924 5.376 4.460 -0.014 0.000 0.365 372 C C 0.644 175.761 174.990 0.213 0.000 1.233 372 C CA -0.640 58.465 59.018 0.145 0.000 2.230 372 C CB 0.373 28.133 27.740 0.032 0.000 2.443 372 C HN 0.783 nan 8.230 nan 0.000 0.556 373 A N 1.636 124.553 122.820 0.162 0.000 2.572 373 A HA 0.756 5.068 4.320 -0.014 0.000 0.295 373 A C -1.721 175.956 177.584 0.155 0.000 1.072 373 A CA -0.364 51.712 52.037 0.065 0.000 0.691 373 A CB 1.179 20.219 19.000 0.067 0.000 1.291 373 A HN 0.919 nan 8.150 nan 0.000 0.404 374 Y N 0.847 121.116 120.300 -0.053 0.000 2.391 374 Y HA 0.670 5.212 4.550 -0.014 0.000 0.341 374 Y C -0.602 175.291 175.900 -0.011 0.000 0.965 374 Y CA -0.771 57.309 58.100 -0.034 0.000 1.067 374 Y CB 2.055 40.455 38.460 -0.100 0.000 1.199 374 Y HN 0.550 nan 8.280 nan 0.000 0.450 375 T N 6.720 121.182 114.554 -0.152 0.000 2.753 375 T HA 0.200 4.542 4.350 -0.014 0.000 0.297 375 T C -0.351 173.992 174.700 -0.595 0.000 0.981 375 T CA -0.721 61.189 62.100 -0.317 0.000 0.956 375 T CB 0.046 68.917 68.868 0.006 0.000 0.936 375 T HN 0.651 nan 8.240 nan 0.000 0.463 376 N N 1.911 120.160 118.700 -0.752 0.000 2.520 376 N HA 0.047 4.778 4.740 -0.014 0.000 0.273 376 N C 0.252 175.653 175.510 -0.181 0.000 1.155 376 N CA -0.075 52.764 53.050 -0.351 0.000 0.967 376 N CB 0.603 39.028 38.487 -0.102 0.000 1.092 376 N HN 0.640 nan 8.380 nan 0.000 0.457 377 H N 0.855 119.953 119.070 0.047 0.000 2.986 377 H HA 0.146 4.694 4.556 -0.014 0.000 0.267 377 H C -0.125 175.128 175.328 -0.125 0.000 1.072 377 H CA 0.140 56.151 56.048 -0.061 0.000 1.202 377 H CB 1.156 30.898 29.762 -0.032 0.000 1.535 377 H HN 0.536 nan 8.280 nan 0.000 0.522 378 T N -0.053 114.566 114.554 0.109 0.000 2.830 378 T HA 0.251 4.593 4.350 -0.014 0.000 0.322 378 T C 0.418 175.177 174.700 0.097 0.000 1.501 378 T CA -0.283 61.837 62.100 0.034 0.000 1.036 378 T CB 1.239 70.088 68.868 -0.032 0.000 1.379 378 T HN -0.067 nan 8.240 nan 0.000 0.493 379 V N 0.996 120.916 119.914 0.010 0.000 3.605 379 V HA 0.545 4.657 4.120 -0.014 0.000 0.284 379 V C 0.629 176.676 176.094 -0.077 0.000 1.386 379 V CA 0.041 62.306 62.300 -0.059 0.000 1.053 379 V CB -0.542 31.229 31.823 -0.086 0.000 0.857 379 V HN 0.723 nan 8.190 nan 0.000 0.436 380 I N 3.474 123.983 120.570 -0.101 0.000 2.505 380 I HA 0.225 4.387 4.170 -0.014 0.000 0.287 380 I C -0.738 175.371 176.117 -0.013 0.000 1.104 380 I CA -1.380 59.876 61.300 -0.075 0.000 1.387 380 I CB 0.710 38.599 38.000 -0.185 0.000 1.404 380 I HN 0.064 nan 8.210 nan 0.000 0.528 381 P HA -0.174 nan 4.420 nan 0.000 0.226 381 P C 0.889 178.216 177.300 0.044 0.000 1.153 381 P CA 1.141 64.250 63.100 0.016 0.000 0.777 381 P CB 0.120 31.829 31.700 0.015 0.000 0.794 382 E N 0.301 120.556 120.200 0.093 0.000 2.427 382 E HA -0.021 4.321 4.350 -0.014 0.000 0.196 382 E C 1.680 178.394 176.600 0.190 0.000 1.028 382 E CA 0.751 57.245 56.400 0.158 0.000 0.864 382 E CB -0.655 29.183 29.700 0.230 0.000 0.813 382 E HN 0.164 nan 8.360 nan 0.000 0.514 383 A N 1.477 124.368 122.820 0.118 0.000 1.975 383 A HA 0.095 4.406 4.320 -0.014 0.000 0.215 383 A C 1.360 178.954 177.584 0.017 0.000 1.170 383 A CA -0.123 51.984 52.037 0.117 0.000 0.656 383 A CB -0.140 18.899 19.000 0.066 0.000 0.821 383 A HN 0.209 nan 8.150 nan 0.000 0.449 384 L N 1.976 123.162 121.223 -0.063 0.000 2.601 384 L HA 0.008 4.339 4.340 -0.014 0.000 0.277 384 L C -0.073 176.434 176.870 -0.604 0.000 1.219 384 L CA 0.852 55.573 54.840 -0.198 0.000 0.915 384 L CB -0.325 41.658 42.059 -0.127 0.000 1.160 384 L HN 0.449 nan 8.230 nan 0.000 0.494 385 E N 5.722 125.454 120.200 -0.780 0.000 2.194 385 E HA 0.273 4.614 4.350 -0.014 0.000 0.284 385 E C -0.478 175.536 176.600 -0.977 0.000 1.035 385 E CA -0.352 55.084 56.400 -1.606 0.000 0.836 385 E CB 0.774 29.918 29.700 -0.926 0.000 1.070 385 E HN 0.371 nan 8.360 nan 0.000 0.401 386 R N 3.533 123.421 120.500 -1.019 0.000 2.487 386 R HA 0.192 4.524 4.340 -0.014 0.000 0.288 386 R C -1.247 175.033 176.300 -0.033 0.000 1.394 386 R CA -0.547 55.364 56.100 -0.314 0.000 1.155 386 R CB 0.748 30.943 30.300 -0.175 0.000 1.156 386 R HN 0.484 nan 8.270 nan 0.000 0.553 387 W N 5.319 126.647 121.300 0.046 0.000 2.356 387 W HA 0.171 4.823 4.660 -0.014 0.000 0.311 387 W C -1.648 174.867 176.519 -0.006 0.000 1.328 387 W CA -1.881 55.534 57.345 0.116 0.000 1.251 387 W CB 0.717 30.216 29.460 0.065 0.000 1.280 387 W HN 0.244 nan 8.180 nan 0.000 0.524 388 P HA -0.109 nan 4.420 nan 0.000 0.265 388 P C 0.721 177.926 177.300 -0.158 0.000 1.193 388 P CA 0.333 63.386 63.100 -0.079 0.000 0.765 388 P CB 1.243 32.740 31.700 -0.338 0.000 0.823 389 V N 3.447 123.301 119.914 -0.100 0.000 2.332 389 V HA -0.287 3.825 4.120 -0.014 0.000 0.248 389 V C 2.422 178.495 176.094 -0.034 0.000 1.055 389 V CA 2.697 64.970 62.300 -0.044 0.000 1.038 389 V CB -1.921 29.942 31.823 0.067 0.000 0.651 389 V HN 0.739 nan 8.190 nan 0.000 0.450 390 H N -1.188 117.928 119.070 0.077 0.000 2.489 390 H HA -0.120 4.428 4.556 -0.014 0.000 0.293 390 H C 1.837 177.197 175.328 0.054 0.000 1.066 390 H CA 1.582 57.670 56.048 0.066 0.000 1.305 390 H CB -0.577 29.229 29.762 0.072 0.000 1.386 390 H HN 0.353 nan 8.280 nan 0.000 0.551 391 L N 0.169 121.406 121.223 0.024 0.000 2.044 391 L HA 0.005 4.337 4.340 -0.014 0.000 0.205 391 L C 2.307 179.158 176.870 -0.031 0.000 1.075 391 L CA 1.136 56.023 54.840 0.078 0.000 0.747 391 L CB -0.381 41.684 42.059 0.009 0.000 0.903 391 L HN 0.328 nan 8.230 nan 0.000 0.435 392 L N -0.499 120.662 121.223 -0.104 0.000 2.201 392 L HA -0.181 4.150 4.340 -0.014 0.000 0.212 392 L C 2.470 179.271 176.870 -0.114 0.000 1.105 392 L CA 1.354 56.093 54.840 -0.167 0.000 0.775 392 L CB -0.727 41.212 42.059 -0.200 0.000 0.913 392 L HN 0.460 nan 8.230 nan 0.000 0.440 393 E N -0.746 119.432 120.200 -0.036 0.000 2.158 393 E HA -0.126 4.215 4.350 -0.014 0.000 0.191 393 E C 1.799 178.430 176.600 0.053 0.000 0.982 393 E CA 1.377 57.777 56.400 0.001 0.000 0.823 393 E CB -0.371 29.359 29.700 0.050 0.000 0.766 393 E HN 0.280 nan 8.360 nan 0.000 0.468 394 T N 1.639 116.248 114.554 0.092 0.000 2.614 394 T HA -0.115 4.227 4.350 -0.014 0.000 0.263 394 T C 1.763 176.546 174.700 0.138 0.000 1.055 394 T CA 1.286 63.486 62.100 0.166 0.000 1.162 394 T CB -0.252 68.738 68.868 0.203 0.000 0.863 394 T HN 0.058 nan 8.240 nan 0.000 0.414 395 L N -0.273 120.936 121.223 -0.024 0.000 2.240 395 L HA 0.310 4.642 4.340 -0.014 0.000 0.211 395 L C 0.541 177.329 176.870 -0.136 0.000 1.106 395 L CA 1.433 56.129 54.840 -0.240 0.000 0.793 395 L CB 0.108 42.024 42.059 -0.238 0.000 0.927 395 L HN 0.206 nan 8.230 nan 0.000 0.446 396 L N 0.205 121.333 121.223 -0.158 0.000 2.745 396 L HA 0.248 4.580 4.340 -0.014 0.000 0.296 396 L C -1.671 175.007 176.870 -0.319 0.000 1.362 396 L CA -0.644 54.011 54.840 -0.308 0.000 0.724 396 L CB 0.735 42.464 42.059 -0.551 0.000 1.069 396 L HN -0.084 nan 8.230 nan 0.000 0.535 397 P HA -0.208 nan 4.420 nan 0.000 0.219 397 P C 1.417 178.540 177.300 -0.294 0.000 1.146 397 P CA 1.216 64.215 63.100 -0.169 0.000 0.808 397 P CB 0.384 32.076 31.700 -0.012 0.000 0.779 398 R N -0.305 119.846 120.500 -0.581 0.000 2.075 398 R HA -0.108 4.224 4.340 -0.014 0.000 0.226 398 R C 2.366 178.366 176.300 -0.500 0.000 1.114 398 R CA 1.482 57.239 56.100 -0.572 0.000 0.972 398 R CB -1.407 28.371 30.300 -0.870 0.000 0.869 398 R HN 0.191 nan 8.270 nan 0.000 0.437 399 H N -0.054 118.676 119.070 -0.567 0.000 2.352 399 H HA -0.092 4.456 4.556 -0.014 0.000 0.299 399 H C 1.811 176.946 175.328 -0.322 0.000 1.097 399 H CA 1.822 57.620 56.048 -0.417 0.000 1.311 399 H CB -0.128 29.344 29.762 -0.483 0.000 1.377 399 H HN 0.086 nan 8.280 nan 0.000 0.504 400 L N 0.517 121.600 121.223 -0.233 0.000 2.043 400 L HA -0.301 4.031 4.340 -0.014 0.000 0.212 400 L C 2.082 178.725 176.870 -0.377 0.000 1.075 400 L CA 1.736 56.368 54.840 -0.347 0.000 0.752 400 L CB -0.392 41.465 42.059 -0.337 0.000 0.891 400 L HN 0.437 nan 8.230 nan 0.000 0.432 401 Q N -0.375 119.308 119.800 -0.194 0.000 2.050 401 Q HA -0.233 4.099 4.340 -0.014 0.000 0.202 401 Q C 2.223 178.220 176.000 -0.006 0.000 0.980 401 Q CA 1.832 57.616 55.803 -0.031 0.000 0.840 401 Q CB -0.046 28.681 28.738 -0.019 0.000 0.898 401 Q HN 0.561 nan 8.270 nan 0.000 0.424 402 I N 0.146 120.671 120.570 -0.075 0.000 2.252 402 I HA -0.280 3.882 4.170 -0.014 0.000 0.245 402 I C 2.039 178.169 176.117 0.022 0.000 1.102 402 I CA 0.941 62.234 61.300 -0.011 0.000 1.385 402 I CB -0.136 37.794 38.000 -0.117 0.000 1.064 402 I HN 0.247 nan 8.210 nan 0.000 0.414 403 I N -0.437 120.105 120.570 -0.046 0.000 2.226 403 I HA -0.317 3.844 4.170 -0.014 0.000 0.245 403 I C 2.409 178.572 176.117 0.077 0.000 1.100 403 I CA 1.390 62.677 61.300 -0.022 0.000 1.374 403 I CB -0.387 37.543 38.000 -0.116 0.000 1.057 403 I HN 0.170 nan 8.210 nan 0.000 0.413 404 Y N 0.837 121.140 120.300 0.005 0.000 2.181 404 Y HA -0.246 4.295 4.550 -0.014 0.000 0.288 404 Y C 2.610 178.491 175.900 -0.031 0.000 1.146 404 Y CA 1.337 59.434 58.100 -0.004 0.000 1.164 404 Y CB -0.740 37.712 38.460 -0.013 0.000 0.982 404 Y HN 0.172 nan 8.280 nan 0.000 0.515 405 E N 0.344 120.615 120.200 0.117 0.000 2.106 405 E HA -0.114 4.228 4.350 -0.014 0.000 0.192 405 E C 2.133 178.669 176.600 -0.107 0.000 0.984 405 E CA 0.979 57.348 56.400 -0.051 0.000 0.806 405 E CB -0.497 29.169 29.700 -0.056 0.000 0.750 405 E HN 0.456 nan 8.360 nan 0.000 0.458 406 I N 0.608 121.200 120.570 0.036 0.000 2.127 406 I HA -0.315 3.847 4.170 -0.014 0.000 0.241 406 I C 2.301 178.443 176.117 0.043 0.000 1.075 406 I CA 1.530 62.819 61.300 -0.019 0.000 1.334 406 I CB -0.467 37.511 38.000 -0.037 0.000 1.040 406 I HN 0.206 nan 8.210 nan 0.000 0.405 407 N N 0.874 119.647 118.700 0.121 0.000 2.043 407 N HA -0.304 4.428 4.740 -0.014 0.000 0.193 407 N C 1.854 177.457 175.510 0.155 0.000 1.037 407 N CA 1.972 55.147 53.050 0.209 0.000 0.851 407 N CB -0.240 38.383 38.487 0.226 0.000 1.027 407 N HN 0.296 nan 8.380 nan 0.000 0.422 408 Q N 0.315 120.144 119.800 0.048 0.000 2.062 408 Q HA -0.190 4.141 4.340 -0.014 0.000 0.209 408 Q C 2.021 177.989 176.000 -0.053 0.000 0.996 408 Q CA 2.049 57.833 55.803 -0.031 0.000 0.859 408 Q CB -0.149 28.531 28.738 -0.096 0.000 0.920 408 Q HN 0.377 nan 8.270 nan 0.000 0.415 409 R N -1.055 119.380 120.500 -0.108 0.000 2.148 409 R HA -0.088 4.244 4.340 -0.014 0.000 0.227 409 R C 2.109 178.438 176.300 0.049 0.000 1.103 409 R CA 1.070 57.094 56.100 -0.128 0.000 0.983 409 R CB -0.288 29.799 30.300 -0.355 0.000 0.874 409 R HN 0.323 nan 8.270 nan 0.000 0.451 410 F N 1.222 121.164 119.950 -0.013 0.000 2.149 410 F HA -0.021 4.497 4.527 -0.014 0.000 0.294 410 F C 1.757 177.599 175.800 0.070 0.000 1.095 410 F CA 1.160 59.208 58.000 0.081 0.000 1.276 410 F CB -0.206 38.877 39.000 0.139 0.000 1.023 410 F HN -0.145 nan 8.300 nan 0.000 0.480 411 L N 0.147 121.320 121.223 -0.083 0.000 2.201 411 L HA -0.189 4.142 4.340 -0.014 0.000 0.212 411 L C 1.822 178.612 176.870 -0.132 0.000 1.105 411 L CA 0.788 55.531 54.840 -0.161 0.000 0.775 411 L CB -0.817 41.225 42.059 -0.028 0.000 0.913 411 L HN 0.127 nan 8.230 nan 0.000 0.440 412 N N 0.359 119.006 118.700 -0.087 0.000 2.381 412 N HA -0.113 4.619 4.740 -0.014 0.000 0.182 412 N C 1.857 177.320 175.510 -0.078 0.000 1.025 412 N CA 0.908 53.914 53.050 -0.074 0.000 0.888 412 N CB -0.088 38.360 38.487 -0.065 0.000 0.965 412 N HN 0.319 nan 8.380 nan 0.000 0.438 413 R N -0.122 120.314 120.500 -0.106 0.000 2.075 413 R HA 0.074 4.405 4.340 -0.014 0.000 0.226 413 R C 1.985 178.215 176.300 -0.117 0.000 1.114 413 R CA 0.673 56.718 56.100 -0.091 0.000 0.972 413 R CB -0.355 29.907 30.300 -0.065 0.000 0.869 413 R HN 0.013 nan 8.270 nan 0.000 0.437 414 V N 1.193 120.989 119.914 -0.197 0.000 2.261 414 V HA -0.243 3.868 4.120 -0.014 0.000 0.246 414 V C 2.428 178.558 176.094 0.060 0.000 1.047 414 V CA 2.108 64.365 62.300 -0.071 0.000 1.015 414 V CB -0.714 30.943 31.823 -0.277 0.000 0.642 414 V HN 0.413 nan 8.190 nan 0.000 0.446 415 A N -0.262 122.544 122.820 -0.023 0.000 1.972 415 A HA -0.059 4.253 4.320 -0.014 0.000 0.219 415 A C 2.367 179.945 177.584 -0.009 0.000 1.169 415 A CA 1.939 53.976 52.037 0.000 0.000 0.635 415 A CB -0.651 18.331 19.000 -0.029 0.000 0.810 415 A HN 0.576 nan 8.150 nan 0.000 0.446 416 A N -0.349 122.447 122.820 -0.040 0.000 1.930 416 A HA 0.255 4.567 4.320 -0.014 0.000 0.217 416 A C 2.350 179.878 177.584 -0.094 0.000 1.175 416 A CA 1.766 53.770 52.037 -0.056 0.000 0.627 416 A CB -0.707 18.259 19.000 -0.057 0.000 0.815 416 A HN 1.014 nan 8.150 nan 0.000 0.443 417 A N -2.145 120.585 122.820 -0.149 0.000 2.132 417 A HA 0.430 4.742 4.320 -0.014 0.000 0.213 417 A C 0.336 177.591 177.584 -0.549 0.000 1.154 417 A CA 0.336 52.145 52.037 -0.380 0.000 0.753 417 A CB -0.173 18.497 19.000 -0.549 0.000 0.826 417 A HN 0.408 nan 8.150 nan 0.000 0.469 418 F N 0.679 120.584 119.950 -0.075 0.000 2.646 418 F HA 0.273 4.791 4.527 -0.014 0.000 0.336 418 F C -2.564 173.200 175.800 -0.061 0.000 1.437 418 F CA -2.558 55.401 58.000 -0.068 0.000 1.142 418 F CB 1.194 40.144 39.000 -0.083 0.000 1.530 418 F HN -0.012 nan 8.300 nan 0.000 0.591 419 P HA 0.203 nan 4.420 nan 0.000 0.271 419 P C 0.879 178.197 177.300 0.030 0.000 1.226 419 P CA 1.030 64.146 63.100 0.028 0.000 0.765 419 P CB 1.560 33.258 31.700 -0.004 0.000 0.835 420 G N 3.068 111.879 108.800 0.018 0.000 2.258 420 G HA2 -0.223 3.729 3.960 -0.014 0.000 0.233 420 G HA3 -0.223 3.729 3.960 -0.014 0.000 0.233 420 G C 0.332 175.236 174.900 0.007 0.000 1.006 420 G CA 0.059 45.164 45.100 0.009 0.000 0.620 420 G HN 0.599 nan 8.290 nan 0.000 0.511 421 D N 1.388 121.798 120.400 0.018 0.000 2.545 421 D HA 0.361 4.992 4.640 -0.014 0.000 0.227 421 D C 1.596 177.872 176.300 -0.040 0.000 1.150 421 D CA 0.486 54.477 54.000 -0.015 0.000 1.046 421 D CB 0.586 41.367 40.800 -0.032 0.000 1.098 421 D HN 0.175 nan 8.370 nan 0.000 0.502 422 V N 2.707 122.604 119.914 -0.029 0.000 2.913 422 V HA -0.182 3.929 4.120 -0.014 0.000 0.260 422 V C 1.572 177.644 176.094 -0.036 0.000 1.098 422 V CA 1.810 64.092 62.300 -0.029 0.000 1.121 422 V CB -0.025 31.786 31.823 -0.019 0.000 0.714 422 V HN 0.385 nan 8.190 nan 0.000 0.487 423 D N -0.868 119.505 120.400 -0.046 0.000 2.271 423 D HA -0.097 4.535 4.640 -0.014 0.000 0.206 423 D C 2.270 178.530 176.300 -0.067 0.000 0.967 423 D CA 0.565 54.539 54.000 -0.042 0.000 0.867 423 D CB -0.063 40.716 40.800 -0.036 0.000 0.960 423 D HN 0.362 nan 8.370 nan 0.000 0.509 424 R N 0.089 120.518 120.500 -0.118 0.000 2.083 424 R HA -0.128 4.204 4.340 -0.014 0.000 0.237 424 R C 1.933 178.142 176.300 -0.151 0.000 1.137 424 R CA 1.036 57.020 56.100 -0.194 0.000 0.951 424 R CB -0.262 29.849 30.300 -0.315 0.000 0.851 424 R HN 0.183 nan 8.270 nan 0.000 0.434 425 L N 1.578 122.737 121.223 -0.107 0.000 2.013 425 L HA -0.244 4.088 4.340 -0.014 0.000 0.212 425 L C 2.693 179.556 176.870 -0.012 0.000 1.073 425 L CA 1.956 56.758 54.840 -0.064 0.000 0.753 425 L CB -1.407 40.627 42.059 -0.043 0.000 0.890 425 L HN 0.442 nan 8.230 nan 0.000 0.432 426 R N 0.639 121.140 120.500 0.002 0.000 2.189 426 R HA -0.101 4.230 4.340 -0.014 0.000 0.218 426 R C 2.038 178.385 176.300 0.078 0.000 1.074 426 R CA 0.810 56.935 56.100 0.043 0.000 0.991 426 R CB -0.163 30.157 30.300 0.033 0.000 0.883 426 R HN 0.359 nan 8.270 nan 0.000 0.457 427 R N -0.077 120.450 120.500 0.045 0.000 2.075 427 R HA 0.140 4.472 4.340 -0.014 0.000 0.226 427 R C 2.363 178.762 176.300 0.164 0.000 1.114 427 R CA 1.436 57.593 56.100 0.096 0.000 0.972 427 R CB -0.169 30.142 30.300 0.018 0.000 0.869 427 R HN 0.224 nan 8.270 nan 0.000 0.437 428 M N 0.538 120.135 119.600 -0.005 0.000 2.492 428 M HA 0.011 4.483 4.480 -0.014 0.000 0.262 428 M C 0.903 177.388 176.300 0.308 0.000 1.090 428 M CA 0.318 55.577 55.300 -0.069 0.000 1.110 428 M CB 0.110 32.503 32.600 -0.346 0.000 1.407 428 M HN -0.062 nan 8.290 nan 0.000 0.470 429 S N 1.040 116.925 115.700 0.308 0.000 2.558 429 S HA 0.043 4.505 4.470 -0.014 0.000 0.291 429 S C 1.082 175.983 174.600 0.501 0.000 1.306 429 S CA -0.159 58.253 58.200 0.353 0.000 1.056 429 S CB 0.460 63.798 63.200 0.231 0.000 0.836 429 S HN 0.328 nan 8.310 nan 0.000 0.504 430 L N 4.040 125.509 121.223 0.410 0.000 2.554 430 L HA 0.163 4.495 4.340 -0.014 0.000 0.226 430 L C -0.066 176.931 176.870 0.213 0.000 1.137 430 L CA -0.003 55.035 54.840 0.330 0.000 0.863 430 L CB -0.436 41.757 42.059 0.223 0.000 0.985 430 L HN 0.325 nan 8.230 nan 0.000 0.451 431 V N 0.204 120.252 119.914 0.223 0.000 2.328 431 V HA 0.198 4.310 4.120 -0.014 0.000 0.278 431 V C 0.059 176.242 176.094 0.149 0.000 1.021 431 V CA -0.558 61.856 62.300 0.190 0.000 0.838 431 V CB 1.429 33.395 31.823 0.239 0.000 0.999 431 V HN 0.149 nan 8.190 nan 0.000 0.447 432 E N 3.963 124.229 120.200 0.109 0.000 1.996 432 E HA 0.202 4.544 4.350 -0.014 0.000 0.280 432 E C 0.075 176.725 176.600 0.083 0.000 1.092 432 E CA -0.415 56.036 56.400 0.085 0.000 0.862 432 E CB 0.485 30.212 29.700 0.046 0.000 1.066 432 E HN 0.612 nan 8.360 nan 0.000 0.396 433 E N 1.510 121.759 120.200 0.081 0.000 2.425 433 E HA 0.356 4.698 4.350 -0.014 0.000 0.258 433 E C 0.569 177.206 176.600 0.061 0.000 1.151 433 E CA 0.313 56.754 56.400 0.069 0.000 0.958 433 E CB 1.077 30.811 29.700 0.057 0.000 0.968 433 E HN 0.744 nan 8.360 nan 0.000 0.451 434 G N -0.964 107.870 108.800 0.057 0.000 2.340 434 G HA2 0.193 4.145 3.960 -0.014 0.000 0.282 434 G HA3 0.193 4.145 3.960 -0.014 0.000 0.282 434 G C 0.408 175.342 174.900 0.057 0.000 1.312 434 G CA 0.283 45.414 45.100 0.053 0.000 0.942 434 G HN 0.471 nan 8.290 nan 0.000 0.495 435 A N -1.026 121.827 122.820 0.055 0.000 1.865 435 A HA 0.316 4.627 4.320 -0.014 0.000 0.217 435 A C 1.372 179.003 177.584 0.079 0.000 1.191 435 A CA 2.512 54.584 52.037 0.059 0.000 0.623 435 A CB -0.603 18.429 19.000 0.052 0.000 0.826 435 A HN 1.593 nan 8.150 nan 0.000 0.444 436 V N 1.041 121.007 119.914 0.086 0.000 2.333 436 V HA 0.227 4.338 4.120 -0.014 0.000 0.274 436 V C 0.200 176.348 176.094 0.091 0.000 1.028 436 V CA -0.645 61.722 62.300 0.110 0.000 0.851 436 V CB 1.033 32.924 31.823 0.114 0.000 1.000 436 V HN 0.473 nan 8.190 nan 0.000 0.456 437 K N 5.220 125.679 120.400 0.098 0.000 2.350 437 K HA 0.431 4.743 4.320 -0.014 0.000 0.279 437 K C -0.011 176.635 176.600 0.078 0.000 1.027 437 K CA -0.047 56.297 56.287 0.094 0.000 0.969 437 K CB 0.576 33.144 32.500 0.114 0.000 0.954 437 K HN 0.645 nan 8.250 nan 0.000 0.474 438 R N 2.791 123.338 120.500 0.078 0.000 2.888 438 R HA 0.505 4.836 4.340 -0.014 0.000 0.264 438 R C -0.869 175.475 176.300 0.074 0.000 1.045 438 R CA -1.069 55.072 56.100 0.069 0.000 0.962 438 R CB 1.164 31.500 30.300 0.060 0.000 1.210 438 R HN 0.419 nan 8.270 nan 0.000 0.479 439 I N 1.609 122.224 120.570 0.075 0.000 2.378 439 I HA 0.197 4.359 4.170 -0.014 0.000 0.291 439 I C -0.461 175.663 176.117 0.012 0.000 0.992 439 I CA -0.686 60.649 61.300 0.059 0.000 1.154 439 I CB 1.501 39.534 38.000 0.055 0.000 1.315 439 I HN 0.522 nan 8.210 nan 0.000 0.448 440 N N 6.820 125.496 118.700 -0.040 0.000 2.437 440 N HA 0.125 4.857 4.740 -0.014 0.000 0.243 440 N C 0.713 176.158 175.510 -0.108 0.000 1.041 440 N CA -0.394 52.557 53.050 -0.164 0.000 0.940 440 N CB 1.096 39.321 38.487 -0.438 0.000 1.133 440 N HN 0.404 nan 8.380 nan 0.000 0.506 441 M N 2.620 122.152 119.600 -0.113 0.000 2.200 441 M HA -0.036 4.436 4.480 -0.014 0.000 0.265 441 M C 2.093 178.280 176.300 -0.187 0.000 1.066 441 M CA 0.820 56.063 55.300 -0.096 0.000 1.127 441 M CB -1.695 30.878 32.600 -0.045 0.000 1.379 441 M HN 0.630 nan 8.290 nan 0.000 0.420 442 A N -0.515 122.201 122.820 -0.173 0.000 1.948 442 A HA -0.211 4.100 4.320 -0.014 0.000 0.220 442 A C 2.027 179.470 177.584 -0.234 0.000 1.177 442 A CA 1.736 53.664 52.037 -0.181 0.000 0.636 442 A CB -1.221 17.880 19.000 0.167 0.000 0.815 442 A HN 0.626 nan 8.150 nan 0.000 0.449 443 H N -1.262 117.650 119.070 -0.263 0.000 2.357 443 H HA -0.006 4.542 4.556 -0.014 0.000 0.301 443 H C 2.125 177.280 175.328 -0.288 0.000 1.082 443 H CA 0.894 56.752 56.048 -0.317 0.000 1.342 443 H CB -0.067 29.682 29.762 -0.022 0.000 1.389 443 H HN 0.367 nan 8.280 nan 0.000 0.511 444 L N 0.340 121.515 121.223 -0.079 0.000 1.990 444 L HA -0.273 4.059 4.340 -0.014 0.000 0.213 444 L C 2.506 179.268 176.870 -0.181 0.000 1.072 444 L CA 1.418 56.202 54.840 -0.095 0.000 0.755 444 L CB -0.410 41.609 42.059 -0.066 0.000 0.889 444 L HN 0.464 nan 8.230 nan 0.000 0.432 445 C N -0.066 119.034 119.300 -0.333 0.000 2.413 445 C HA -0.198 4.254 4.460 -0.014 0.000 0.276 445 C C 2.640 177.433 174.990 -0.328 0.000 1.248 445 C CA 0.740 59.486 59.018 -0.454 0.000 1.742 445 C CB -0.799 26.294 27.740 -1.078 0.000 2.017 445 C HN 0.496 nan 8.230 nan 0.000 0.481 446 I N 1.354 121.692 120.570 -0.387 0.000 2.315 446 I HA -0.145 4.017 4.170 -0.014 0.000 0.248 446 I C 2.690 178.646 176.117 -0.268 0.000 1.117 446 I CA 1.482 62.561 61.300 -0.368 0.000 1.404 446 I CB -0.506 37.100 38.000 -0.657 0.000 1.071 446 I HN 0.254 nan 8.210 nan 0.000 0.419 447 A N 0.534 123.170 122.820 -0.307 0.000 1.969 447 A HA -0.026 4.286 4.320 -0.014 0.000 0.218 447 A C 2.223 179.790 177.584 -0.027 0.000 1.169 447 A CA 1.757 53.611 52.037 -0.305 0.000 0.635 447 A CB -0.953 17.745 19.000 -0.504 0.000 0.810 447 A HN 0.462 nan 8.150 nan 0.000 0.445 448 G N -1.301 107.451 108.800 -0.080 0.000 3.277 448 G HA2 0.410 4.362 3.960 -0.014 0.000 0.243 448 G HA3 0.410 4.362 3.960 -0.014 0.000 0.243 448 G C 0.234 174.979 174.900 -0.258 0.000 1.107 448 G CA 0.431 45.361 45.100 -0.282 0.000 0.771 448 G HN 0.343 nan 8.290 nan 0.000 0.544 449 S N -0.028 115.580 115.700 -0.153 0.000 2.690 449 S HA 0.369 4.831 4.470 -0.014 0.000 0.291 449 S C 0.791 175.362 174.600 -0.048 0.000 1.138 449 S CA -0.659 57.492 58.200 -0.080 0.000 1.013 449 S CB 1.052 64.217 63.200 -0.058 0.000 1.053 449 S HN 0.521 nan 8.310 nan 0.000 0.539 450 H N -0.835 118.197 119.070 -0.063 0.000 2.586 450 H HA 0.589 5.137 4.556 -0.014 0.000 0.273 450 H C -0.115 175.207 175.328 -0.009 0.000 0.997 450 H CA -0.008 56.027 56.048 -0.021 0.000 1.177 450 H CB 0.059 29.814 29.762 -0.011 0.000 1.471 450 H HN 0.481 nan 8.280 nan 0.000 0.538 451 A N 1.137 123.670 122.820 -0.478 0.000 2.437 451 A HA 0.556 4.868 4.320 -0.014 0.000 0.293 451 A C -1.411 175.975 177.584 -0.330 0.000 1.038 451 A CA -0.539 51.261 52.037 -0.396 0.000 0.708 451 A CB 1.979 20.701 19.000 -0.465 0.000 1.251 451 A HN 0.079 nan 8.150 nan 0.000 0.409 452 V N 4.122 123.812 119.914 -0.374 0.000 2.604 452 V HA 0.634 4.745 4.120 -0.014 0.000 0.305 452 V C -0.408 175.491 176.094 -0.325 0.000 1.043 452 V CA -0.694 61.368 62.300 -0.397 0.000 0.888 452 V CB 1.882 33.336 31.823 -0.616 0.000 0.995 452 V HN 1.042 nan 8.190 nan 0.000 0.429 453 N N 2.517 121.037 118.700 -0.301 0.000 2.357 453 N HA 0.627 5.358 4.740 -0.014 0.000 0.284 453 N C -0.511 174.903 175.510 -0.161 0.000 1.236 453 N CA -0.384 52.540 53.050 -0.209 0.000 0.774 453 N CB 2.827 41.159 38.487 -0.257 0.000 1.534 453 N HN 0.689 nan 8.380 nan 0.000 0.478 454 G N -0.911 107.852 108.800 -0.061 0.000 2.552 454 G HA2 0.456 4.408 3.960 -0.014 0.000 0.324 454 G HA3 0.456 4.408 3.960 -0.014 0.000 0.324 454 G C 0.673 175.626 174.900 0.088 0.000 1.217 454 G CA -0.593 44.574 45.100 0.113 0.000 0.989 454 G HN 0.587 nan 8.290 nan 0.000 0.490 455 V N -3.267 116.736 119.914 0.148 0.000 3.444 455 V HA 0.671 4.782 4.120 -0.014 0.000 0.308 455 V C 0.603 176.734 176.094 0.061 0.000 1.371 455 V CA 0.315 62.634 62.300 0.032 0.000 1.141 455 V CB -1.076 30.695 31.823 -0.085 0.000 1.037 455 V HN 1.454 nan 8.190 nan 0.000 0.433 456 A N -0.387 122.488 122.820 0.092 0.000 2.569 456 A HA 0.589 4.900 4.320 -0.014 0.000 0.292 456 A C 0.574 178.195 177.584 0.062 0.000 1.032 456 A CA -0.168 51.913 52.037 0.074 0.000 0.669 456 A CB 0.784 19.819 19.000 0.059 0.000 1.290 456 A HN -0.025 nan 8.150 nan 0.000 0.422 457 R N 0.278 120.796 120.500 0.031 0.000 2.083 457 R HA -0.171 4.161 4.340 -0.014 0.000 0.237 457 R C 1.751 178.042 176.300 -0.015 0.000 1.137 457 R CA 2.439 58.538 56.100 -0.001 0.000 0.951 457 R CB -0.540 29.755 30.300 -0.008 0.000 0.851 457 R HN 0.824 nan 8.270 nan 0.000 0.434 458 I N -2.006 118.560 120.570 -0.007 0.000 2.163 458 I HA -0.230 3.932 4.170 -0.014 0.000 0.240 458 I C 2.403 178.509 176.117 -0.017 0.000 1.081 458 I CA 1.770 63.055 61.300 -0.024 0.000 1.353 458 I CB -1.094 36.892 38.000 -0.024 0.000 1.054 458 I HN 0.199 nan 8.210 nan 0.000 0.407 459 H N 1.747 120.779 119.070 -0.063 0.000 2.353 459 H HA -0.161 4.387 4.556 -0.014 0.000 0.298 459 H C 2.341 177.629 175.328 -0.068 0.000 1.103 459 H CA 2.225 58.230 56.048 -0.072 0.000 1.293 459 H CB -0.190 29.533 29.762 -0.064 0.000 1.372 459 H HN 0.246 nan 8.280 nan 0.000 0.501 460 S N -0.045 115.590 115.700 -0.108 0.000 2.382 460 S HA -0.138 4.323 4.470 -0.014 0.000 0.228 460 S C 1.936 176.439 174.600 -0.162 0.000 1.027 460 S CA 1.288 59.407 58.200 -0.135 0.000 0.991 460 S CB -0.085 63.081 63.200 -0.057 0.000 0.823 460 S HN 0.483 nan 8.310 nan 0.000 0.469 461 E N 1.195 121.307 120.200 -0.148 0.000 2.072 461 E HA 0.031 4.372 4.350 -0.014 0.000 0.190 461 E C 2.000 178.483 176.600 -0.195 0.000 0.982 461 E CA 0.585 56.882 56.400 -0.173 0.000 0.803 461 E CB -0.414 29.211 29.700 -0.126 0.000 0.755 461 E HN 0.494 nan 8.360 nan 0.000 0.453 462 I N 0.924 121.384 120.570 -0.184 0.000 2.423 462 I HA -0.265 3.896 4.170 -0.014 0.000 0.254 462 I C 2.228 178.202 176.117 -0.238 0.000 1.151 462 I CA 0.807 61.994 61.300 -0.189 0.000 1.421 462 I CB -0.215 37.686 38.000 -0.165 0.000 1.079 462 I HN 0.080 nan 8.210 nan 0.000 0.431 463 L N 0.243 121.301 121.223 -0.276 0.000 2.072 463 L HA -0.164 4.168 4.340 -0.014 0.000 0.205 463 L C 2.451 179.239 176.870 -0.137 0.000 1.079 463 L CA 1.322 56.031 54.840 -0.218 0.000 0.752 463 L CB -0.516 41.498 42.059 -0.075 0.000 0.906 463 L HN 0.163 nan 8.230 nan 0.000 0.436 464 K N 0.265 120.499 120.400 -0.277 0.000 2.155 464 K HA -0.121 4.191 4.320 -0.014 0.000 0.203 464 K C 1.999 178.384 176.600 -0.358 0.000 1.052 464 K CA 1.073 57.023 56.287 -0.561 0.000 0.948 464 K CB 0.056 31.947 32.500 -1.014 0.000 0.728 464 K HN 0.245 nan 8.250 nan 0.000 0.448 465 K N -0.395 119.858 120.400 -0.246 0.000 2.284 465 K HA 0.055 4.366 4.320 -0.014 0.000 0.198 465 K C 1.391 177.934 176.600 -0.096 0.000 1.048 465 K CA 0.898 57.097 56.287 -0.147 0.000 0.987 465 K CB 0.595 33.016 32.500 -0.133 0.000 0.800 465 K HN 0.057 nan 8.250 nan 0.000 0.486 466 T N 0.698 115.185 114.554 -0.112 0.000 3.518 466 T HA 0.104 4.445 4.350 -0.014 0.000 0.211 466 T C 1.643 176.296 174.700 -0.079 0.000 0.940 466 T CA -0.163 61.883 62.100 -0.089 0.000 1.307 466 T CB -0.320 68.482 68.868 -0.109 0.000 1.392 466 T HN 0.071 nan 8.240 nan 0.000 0.382 467 I N 0.102 120.560 120.570 -0.186 0.000 2.226 467 I HA -0.073 4.089 4.170 -0.014 0.000 0.245 467 I C 0.327 176.387 176.117 -0.094 0.000 1.100 467 I CA 1.783 62.920 61.300 -0.271 0.000 1.374 467 I CB 0.078 37.745 38.000 -0.554 0.000 1.057 467 I HN 0.157 nan 8.210 nan 0.000 0.413 468 F N 1.518 121.546 119.950 0.130 0.000 2.791 468 F HA 0.234 4.753 4.527 -0.014 0.000 0.308 468 F C 1.406 177.309 175.800 0.171 0.000 1.138 468 F CA -0.839 57.333 58.000 0.287 0.000 1.294 468 F CB -0.423 38.783 39.000 0.344 0.000 0.975 468 F HN -0.010 nan 8.300 nan 0.000 0.512 469 K N -0.314 120.198 120.400 0.186 0.000 2.044 469 K HA -0.203 4.109 4.320 -0.014 0.000 0.210 469 K C 1.295 177.945 176.600 0.083 0.000 1.049 469 K CA 1.901 58.245 56.287 0.096 0.000 0.927 469 K CB -0.929 31.589 32.500 0.031 0.000 0.713 469 K HN 0.103 nan 8.250 nan 0.000 0.443 470 D N 0.051 120.461 120.400 0.016 0.000 2.133 470 D HA -0.153 4.478 4.640 -0.014 0.000 0.195 470 D C 1.782 177.958 176.300 -0.206 0.000 0.997 470 D CA 1.295 55.169 54.000 -0.210 0.000 0.840 470 D CB -0.214 40.343 40.800 -0.405 0.000 0.947 470 D HN 0.245 nan 8.370 nan 0.000 0.452 471 F N -0.485 119.539 119.950 0.123 0.000 2.293 471 F HA -0.084 4.435 4.527 -0.014 0.000 0.297 471 F C 2.269 178.175 175.800 0.177 0.000 1.089 471 F CA 0.221 58.369 58.000 0.246 0.000 1.377 471 F CB -0.591 38.640 39.000 0.385 0.000 1.051 471 F HN -0.059 nan 8.300 nan 0.000 0.511 472 Y N 1.448 121.642 120.300 -0.177 0.000 2.181 472 Y HA -0.189 4.353 4.550 -0.014 0.000 0.288 472 Y C 2.136 177.966 175.900 -0.116 0.000 1.146 472 Y CA 1.668 59.435 58.100 -0.556 0.000 1.164 472 Y CB -0.548 37.483 38.460 -0.715 0.000 0.982 472 Y HN 0.119 nan 8.280 nan 0.000 0.515 473 E N -0.070 120.038 120.200 -0.154 0.000 2.072 473 E HA -0.207 4.135 4.350 -0.014 0.000 0.191 473 E C 2.330 178.978 176.600 0.080 0.000 0.985 473 E CA 1.177 57.543 56.400 -0.055 0.000 0.801 473 E CB -0.327 29.436 29.700 0.104 0.000 0.750 473 E HN 0.444 nan 8.360 nan 0.000 0.452 474 L N 0.644 121.977 121.223 0.184 0.000 2.017 474 L HA -0.146 4.186 4.340 -0.014 0.000 0.208 474 L C 0.291 177.210 176.870 0.081 0.000 1.073 474 L CA 1.475 56.434 54.840 0.198 0.000 0.745 474 L CB 0.142 42.339 42.059 0.231 0.000 0.894 474 L HN 0.089 nan 8.230 nan 0.000 0.432 475 E N -1.509 118.723 120.200 0.054 0.000 3.117 475 E HA 0.147 4.488 4.350 -0.014 0.000 0.262 475 E C -2.037 174.451 176.600 -0.187 0.000 1.202 475 E CA -1.258 55.058 56.400 -0.140 0.000 0.853 475 E CB 1.238 30.866 29.700 -0.120 0.000 1.426 475 E HN 0.147 nan 8.360 nan 0.000 0.387 476 P HA -0.234 nan 4.420 nan 0.000 0.217 476 P C 1.239 178.590 177.300 0.085 0.000 1.150 476 P CA 1.124 64.042 63.100 -0.303 0.000 0.832 476 P CB -0.064 31.390 31.700 -0.411 0.000 0.787 477 H N 0.124 119.278 119.070 0.139 0.000 2.492 477 H HA -0.056 4.492 4.556 -0.014 0.000 0.296 477 H C 1.313 176.726 175.328 0.141 0.000 1.095 477 H CA 1.086 57.213 56.048 0.131 0.000 1.281 477 H CB -0.588 29.224 29.762 0.084 0.000 1.374 477 H HN 0.172 nan 8.280 nan 0.000 0.545 478 K N 0.340 120.732 120.400 -0.013 0.000 2.116 478 K HA 0.037 4.349 4.320 -0.014 0.000 0.203 478 K C 0.036 176.522 176.600 -0.191 0.000 1.052 478 K CA 0.266 56.482 56.287 -0.119 0.000 0.952 478 K CB 0.077 32.324 32.500 -0.421 0.000 0.729 478 K HN 0.075 nan 8.250 nan 0.000 0.446 479 F N 2.065 122.049 119.950 0.057 0.000 2.456 479 F HA 0.128 4.647 4.527 -0.014 0.000 0.358 479 F C 0.655 176.464 175.800 0.016 0.000 1.095 479 F CA 0.125 58.161 58.000 0.060 0.000 1.216 479 F CB 0.641 39.751 39.000 0.183 0.000 1.125 479 F HN -0.045 nan 8.300 nan 0.000 0.549 480 Q N 1.782 121.614 119.800 0.053 0.000 2.687 480 Q HA 0.380 4.711 4.340 -0.014 0.000 0.305 480 Q C -1.314 174.646 176.000 -0.066 0.000 1.006 480 Q CA -1.264 54.519 55.803 -0.034 0.000 0.763 480 Q CB 3.326 31.984 28.738 -0.135 0.000 1.506 480 Q HN 0.683 nan 8.270 nan 0.000 0.459 481 N N 0.429 119.068 118.700 -0.103 0.000 2.235 481 N HA 0.312 5.044 4.740 -0.014 0.000 0.293 481 N C -1.624 173.786 175.510 -0.166 0.000 1.083 481 N CA -0.444 52.547 53.050 -0.099 0.000 0.801 481 N CB 1.608 40.061 38.487 -0.056 0.000 1.559 481 N HN 0.297 nan 8.380 nan 0.000 0.472 482 K N 2.370 122.672 120.400 -0.162 0.000 2.687 482 K HA 0.232 4.543 4.320 -0.014 0.000 0.249 482 K C -1.069 175.526 176.600 -0.009 0.000 0.994 482 K CA -0.491 55.677 56.287 -0.198 0.000 0.913 482 K CB 1.597 33.755 32.500 -0.570 0.000 1.202 482 K HN 0.576 nan 8.250 nan 0.000 0.460 483 T N 1.901 116.472 114.554 0.029 0.000 2.907 483 T HA 0.184 4.526 4.350 -0.014 0.000 0.298 483 T C 0.756 175.565 174.700 0.183 0.000 1.017 483 T CA -0.216 61.946 62.100 0.103 0.000 1.118 483 T CB 0.620 69.551 68.868 0.105 0.000 0.948 483 T HN 0.354 nan 8.240 nan 0.000 0.531 484 N N 0.338 119.171 118.700 0.221 0.000 2.267 484 N HA 0.399 5.131 4.740 -0.014 0.000 0.226 484 N C 0.351 176.034 175.510 0.287 0.000 1.314 484 N CA -0.224 52.993 53.050 0.277 0.000 0.887 484 N CB 0.381 38.983 38.487 0.191 0.000 1.120 484 N HN 0.763 nan 8.380 nan 0.000 0.440 485 G N -0.318 108.664 108.800 0.302 0.000 2.684 485 G HA2 0.631 4.582 3.960 -0.014 0.000 0.290 485 G HA3 0.631 4.582 3.960 -0.014 0.000 0.290 485 G C -1.701 173.336 174.900 0.229 0.000 1.425 485 G CA -0.352 44.908 45.100 0.268 0.000 0.822 485 G HN 0.366 nan 8.290 nan 0.000 0.482 486 I N -0.445 120.242 120.570 0.195 0.000 2.785 486 I HA 0.622 4.784 4.170 -0.014 0.000 0.302 486 I C 0.190 176.457 176.117 0.250 0.000 1.069 486 I CA -0.578 60.827 61.300 0.175 0.000 1.045 486 I CB 2.674 40.689 38.000 0.025 0.000 1.236 486 I HN 0.468 nan 8.210 nan 0.000 0.429 487 T N 6.448 121.218 114.554 0.360 0.000 2.771 487 T HA 0.390 4.732 4.350 -0.014 0.000 0.291 487 T C -1.745 173.065 174.700 0.183 0.000 0.954 487 T CA -1.865 60.360 62.100 0.209 0.000 1.045 487 T CB 1.124 70.071 68.868 0.132 0.000 0.917 487 T HN 0.403 nan 8.240 nan 0.000 0.484 488 P HA -0.070 nan 4.420 nan 0.000 0.220 488 P C 1.133 178.402 177.300 -0.052 0.000 1.148 488 P CA 0.763 63.889 63.100 0.045 0.000 0.803 488 P CB 0.391 32.095 31.700 0.007 0.000 0.782 489 R N 0.430 120.846 120.500 -0.140 0.000 2.064 489 R HA 0.010 4.342 4.340 -0.014 0.000 0.228 489 R C 2.780 178.969 176.300 -0.184 0.000 1.144 489 R CA 1.630 57.607 56.100 -0.205 0.000 0.932 489 R CB -0.937 29.231 30.300 -0.220 0.000 0.833 489 R HN 0.171 nan 8.270 nan 0.000 0.429 490 R N -1.252 119.085 120.500 -0.271 0.000 2.075 490 R HA -0.074 4.258 4.340 -0.014 0.000 0.232 490 R C 1.914 177.929 176.300 -0.475 0.000 1.126 490 R CA 1.495 57.295 56.100 -0.500 0.000 0.963 490 R CB -0.268 29.432 30.300 -1.001 0.000 0.858 490 R HN 0.329 nan 8.270 nan 0.000 0.435 491 W N 0.056 121.312 121.300 -0.073 0.000 3.180 491 W HA 0.078 4.729 4.660 -0.015 0.000 0.254 491 W C 1.361 177.850 176.519 -0.051 0.000 1.318 491 W CA -0.403 56.901 57.345 -0.070 0.000 1.608 491 W CB 0.313 29.742 29.460 -0.052 0.000 1.124 491 W HN 0.121 nan 8.180 nan 0.000 0.694 492 L N -2.167 119.122 121.223 0.110 0.000 2.692 492 L HA 0.156 4.488 4.340 -0.014 0.000 0.175 492 L C 1.901 178.785 176.870 0.024 0.000 1.112 492 L CA 0.822 55.711 54.840 0.082 0.000 0.908 492 L CB -0.915 41.216 42.059 0.121 0.000 1.672 492 L HN -0.260 nan 8.230 nan 0.000 0.500 493 V N 1.140 121.043 119.914 -0.018 0.000 2.332 493 V HA -0.240 3.872 4.120 -0.014 0.000 0.248 493 V C 2.382 178.445 176.094 -0.052 0.000 1.055 493 V CA 2.208 64.484 62.300 -0.040 0.000 1.038 493 V CB -0.816 30.944 31.823 -0.105 0.000 0.651 493 V HN 0.516 nan 8.190 nan 0.000 0.450 494 L N 0.893 122.059 121.223 -0.095 0.000 2.145 494 L HA -0.018 4.314 4.340 -0.014 0.000 0.201 494 L C 2.368 179.168 176.870 -0.116 0.000 1.075 494 L CA 2.271 57.038 54.840 -0.121 0.000 0.773 494 L CB -0.862 41.085 42.059 -0.188 0.000 0.936 494 L HN 0.543 nan 8.230 nan 0.000 0.451 495 C N -0.857 118.371 119.300 -0.121 0.000 2.562 495 C HA 0.323 4.775 4.460 -0.014 0.000 0.266 495 C C 1.033 175.997 174.990 -0.044 0.000 1.382 495 C CA -0.312 58.651 59.018 -0.092 0.000 1.742 495 C CB -1.557 26.128 27.740 -0.091 0.000 1.812 495 C HN 0.631 nan 8.230 nan 0.000 0.559 496 N N 1.004 119.691 118.700 -0.022 0.000 2.726 496 N HA 0.301 5.033 4.740 -0.014 0.000 0.253 496 N C -2.356 173.158 175.510 0.007 0.000 1.530 496 N CA -1.233 51.815 53.050 -0.004 0.000 0.772 496 N CB 1.061 39.555 38.487 0.011 0.000 1.220 496 N HN 0.120 nan 8.380 nan 0.000 0.508 497 P HA 0.055 nan 4.420 nan 0.000 0.217 497 P C 1.411 178.721 177.300 0.017 0.000 1.154 497 P CA 0.790 63.895 63.100 0.007 0.000 0.841 497 P CB 0.332 32.029 31.700 -0.004 0.000 0.788 498 G N 0.372 109.176 108.800 0.007 0.000 2.440 498 G HA2 -0.253 3.699 3.960 -0.014 0.000 0.218 498 G HA3 -0.253 3.699 3.960 -0.014 0.000 0.218 498 G C 1.455 176.357 174.900 0.004 0.000 1.154 498 G CA 0.666 45.768 45.100 0.003 0.000 0.767 498 G HN 0.231 nan 8.290 nan 0.000 0.552 499 L N 1.082 122.307 121.223 0.003 0.000 2.109 499 L HA 0.308 4.640 4.340 -0.014 0.000 0.207 499 L C 2.933 179.827 176.870 0.039 0.000 1.086 499 L CA 1.937 56.776 54.840 -0.002 0.000 0.760 499 L CB -0.517 41.540 42.059 -0.002 0.000 0.910 499 L HN 0.206 nan 8.230 nan 0.000 0.437 500 A N -0.086 122.778 122.820 0.072 0.000 1.968 500 A HA -0.173 4.139 4.320 -0.014 0.000 0.217 500 A C 2.142 179.813 177.584 0.145 0.000 1.169 500 A CA 1.293 53.422 52.037 0.152 0.000 0.638 500 A CB -0.589 18.502 19.000 0.151 0.000 0.812 500 A HN 0.713 nan 8.150 nan 0.000 0.446 501 E N 0.799 121.050 120.200 0.085 0.000 2.072 501 E HA -0.168 4.174 4.350 -0.014 0.000 0.190 501 E C 1.934 178.577 176.600 0.072 0.000 0.982 501 E CA 1.395 57.839 56.400 0.073 0.000 0.803 501 E CB -0.766 28.959 29.700 0.042 0.000 0.755 501 E HN 0.755 nan 8.360 nan 0.000 0.453 502 I N -0.751 119.858 120.570 0.066 0.000 2.614 502 I HA -0.098 4.063 4.170 -0.014 0.000 0.258 502 I C 2.237 178.464 176.117 0.182 0.000 1.189 502 I CA 0.874 62.239 61.300 0.107 0.000 1.462 502 I CB -0.343 37.696 38.000 0.064 0.000 1.092 502 I HN 0.020 nan 8.210 nan 0.000 0.442 503 I N 2.061 122.698 120.570 0.111 0.000 2.286 503 I HA -0.144 4.017 4.170 -0.014 0.000 0.245 503 I C 3.037 179.121 176.117 -0.056 0.000 1.104 503 I CA 1.181 62.471 61.300 -0.016 0.000 1.397 503 I CB -0.513 37.364 38.000 -0.204 0.000 1.072 503 I HN 0.268 nan 8.210 nan 0.000 0.417 504 A N 0.743 123.620 122.820 0.094 0.000 1.933 504 A HA -0.231 4.081 4.320 -0.014 0.000 0.218 504 A C 2.181 179.796 177.584 0.052 0.000 1.175 504 A CA 1.685 53.819 52.037 0.162 0.000 0.628 504 A CB -0.611 18.494 19.000 0.174 0.000 0.814 504 A HN 0.449 nan 8.150 nan 0.000 0.444 505 E N -0.759 119.453 120.200 0.019 0.000 2.118 505 E HA -0.213 4.128 4.350 -0.014 0.000 0.195 505 E C 2.244 178.796 176.600 -0.081 0.000 0.992 505 E CA 1.249 57.640 56.400 -0.014 0.000 0.804 505 E CB -0.069 29.632 29.700 0.001 0.000 0.741 505 E HN 0.481 nan 8.360 nan 0.000 0.458 506 R N 0.192 120.571 120.500 -0.201 0.000 2.087 506 R HA 0.094 4.426 4.340 -0.014 0.000 0.213 506 R C 2.422 178.581 176.300 -0.236 0.000 1.137 506 R CA 0.791 56.668 56.100 -0.372 0.000 1.022 506 R CB -0.544 29.148 30.300 -1.012 0.000 0.920 506 R HN 0.297 nan 8.270 nan 0.000 0.451 507 I N -1.856 118.590 120.570 -0.206 0.000 3.928 507 I HA 0.396 4.557 4.170 -0.014 0.000 0.335 507 I C 0.534 176.669 176.117 0.031 0.000 1.325 507 I CA 0.260 61.515 61.300 -0.075 0.000 1.107 507 I CB 0.382 38.321 38.000 -0.101 0.000 1.014 507 I HN 0.221 nan 8.210 nan 0.000 0.400 508 G N 2.346 111.177 108.800 0.050 0.000 2.660 508 G HA2 -0.234 3.718 3.960 -0.014 0.000 0.215 508 G HA3 -0.234 3.718 3.960 -0.014 0.000 0.215 508 G C -0.054 174.966 174.900 0.200 0.000 1.345 508 G CA 0.217 45.374 45.100 0.095 0.000 0.877 508 G HN 0.519 nan 8.290 nan 0.000 0.549 509 E N -0.368 119.913 120.200 0.134 0.000 2.562 509 E HA 0.180 4.522 4.350 -0.014 0.000 0.214 509 E C 1.601 178.148 176.600 -0.088 0.000 0.979 509 E CA 0.416 56.837 56.400 0.036 0.000 1.002 509 E CB 0.811 30.502 29.700 -0.016 0.000 1.048 509 E HN 0.593 nan 8.360 nan 0.000 0.488 510 E N 0.738 120.958 120.200 0.034 0.000 2.463 510 E HA -0.201 4.141 4.350 -0.014 0.000 0.201 510 E C 1.369 177.966 176.600 -0.004 0.000 1.045 510 E CA 0.801 57.211 56.400 0.015 0.000 0.872 510 E CB -0.043 29.688 29.700 0.052 0.000 0.797 510 E HN 0.505 nan 8.360 nan 0.000 0.538 511 Y N -1.446 118.858 120.300 0.007 0.000 2.439 511 Y HA 0.020 4.563 4.550 -0.013 0.000 0.292 511 Y C 1.535 177.414 175.900 -0.036 0.000 1.130 511 Y CA 0.481 58.576 58.100 -0.008 0.000 1.254 511 Y CB -0.364 38.093 38.460 -0.005 0.000 1.000 511 Y HN -0.003 nan 8.280 nan 0.000 0.554 512 I N 0.762 120.891 120.570 -0.736 0.000 2.614 512 I HA -0.196 3.966 4.170 -0.014 0.000 0.258 512 I C 1.318 177.212 176.117 -0.373 0.000 1.189 512 I CA 1.602 62.520 61.300 -0.637 0.000 1.462 512 I CB -0.241 37.274 38.000 -0.808 0.000 1.092 512 I HN 0.368 nan 8.210 nan 0.000 0.442 513 S N -2.003 113.583 115.700 -0.191 0.000 2.730 513 S HA 0.191 4.653 4.470 -0.014 0.000 0.244 513 S C 0.167 174.759 174.600 -0.013 0.000 1.022 513 S CA -0.454 57.703 58.200 -0.071 0.000 1.014 513 S CB 0.321 63.540 63.200 0.031 0.000 0.963 513 S HN 0.240 nan 8.310 nan 0.000 0.540 514 D N 1.128 121.529 120.400 0.001 0.000 2.621 514 D HA 0.296 4.928 4.640 -0.014 0.000 0.274 514 D C 0.645 176.994 176.300 0.081 0.000 1.215 514 D CA -0.373 53.649 54.000 0.036 0.000 0.810 514 D CB -0.027 40.798 40.800 0.041 0.000 1.248 514 D HN 0.072 nan 8.370 nan 0.000 0.517 515 L N 0.638 121.908 121.223 0.079 0.000 2.265 515 L HA -0.084 4.247 4.340 -0.014 0.000 0.215 515 L C 1.160 178.079 176.870 0.081 0.000 1.117 515 L CA 0.962 55.878 54.840 0.126 0.000 0.782 515 L CB 0.104 42.223 42.059 0.101 0.000 0.914 515 L HN 0.335 nan 8.230 nan 0.000 0.441 516 D N -0.230 120.194 120.400 0.040 0.000 2.263 516 D HA -0.200 4.432 4.640 -0.014 0.000 0.208 516 D C 2.008 178.324 176.300 0.027 0.000 0.971 516 D CA 0.837 54.846 54.000 0.015 0.000 0.867 516 D CB 0.078 40.875 40.800 -0.005 0.000 0.929 516 D HN 0.477 nan 8.370 nan 0.000 0.492 517 Q N -0.200 119.631 119.800 0.053 0.000 2.368 517 Q HA -0.130 4.202 4.340 -0.014 0.000 0.210 517 Q C 1.781 177.795 176.000 0.023 0.000 0.982 517 Q CA 0.228 56.063 55.803 0.054 0.000 0.884 517 Q CB 0.062 28.861 28.738 0.102 0.000 0.933 517 Q HN 0.184 nan 8.270 nan 0.000 0.460 518 L N 0.471 121.700 121.223 0.010 0.000 2.362 518 L HA -0.128 4.204 4.340 -0.014 0.000 0.219 518 L C 1.969 178.832 176.870 -0.013 0.000 1.134 518 L CA 1.435 56.246 54.840 -0.049 0.000 0.807 518 L CB -0.373 41.665 42.059 -0.036 0.000 0.927 518 L HN 0.078 nan 8.230 nan 0.000 0.447 519 R N -0.556 119.949 120.500 0.009 0.000 2.193 519 R HA -0.126 4.205 4.340 -0.014 0.000 0.229 519 R C 1.720 178.033 176.300 0.021 0.000 1.110 519 R CA 0.747 56.857 56.100 0.016 0.000 0.988 519 R CB 0.017 30.323 30.300 0.010 0.000 0.871 519 R HN 0.397 nan 8.270 nan 0.000 0.458 520 K N 0.304 120.718 120.400 0.023 0.000 2.515 520 K HA -0.060 4.252 4.320 -0.014 0.000 0.196 520 K C 1.570 178.231 176.600 0.101 0.000 1.038 520 K CA 0.559 56.872 56.287 0.044 0.000 0.967 520 K CB 0.108 32.634 32.500 0.044 0.000 0.780 520 K HN 0.225 nan 8.250 nan 0.000 0.483 521 L N 0.489 121.755 121.223 0.071 0.000 2.395 521 L HA -0.090 4.242 4.340 -0.014 0.000 0.218 521 L C 1.694 178.655 176.870 0.152 0.000 1.130 521 L CA 0.093 55.003 54.840 0.117 0.000 0.826 521 L CB -0.190 41.896 42.059 0.046 0.000 0.941 521 L HN 0.143 nan 8.230 nan 0.000 0.451 522 L N -0.253 121.018 121.223 0.079 0.000 2.127 522 L HA -0.198 4.134 4.340 -0.014 0.000 0.211 522 L C 2.640 179.511 176.870 0.001 0.000 1.089 522 L CA 1.536 56.404 54.840 0.048 0.000 0.757 522 L CB -1.316 40.754 42.059 0.018 0.000 0.899 522 L HN 0.215 nan 8.230 nan 0.000 0.434 523 S N -1.359 114.299 115.700 -0.070 0.000 2.419 523 S HA -0.176 4.286 4.470 -0.014 0.000 0.235 523 S C 1.421 175.778 174.600 -0.404 0.000 1.019 523 S CA 0.988 59.024 58.200 -0.274 0.000 0.982 523 S CB -0.401 62.526 63.200 -0.455 0.000 0.789 523 S HN 0.472 nan 8.310 nan 0.000 0.490 524 Y N -0.041 120.201 120.300 -0.097 0.000 2.468 524 Y HA 0.348 4.895 4.550 -0.004 0.000 0.268 524 Y C 1.868 177.808 175.900 0.066 0.000 1.177 524 Y CA -0.601 57.445 58.100 -0.089 0.000 1.265 524 Y CB -0.311 37.910 38.460 -0.398 0.000 1.103 524 Y HN 0.115 nan 8.280 nan 0.000 0.522 525 V N 0.413 120.411 119.914 0.140 0.000 2.720 525 V HA -0.204 3.908 4.120 -0.014 0.000 0.256 525 V C 0.934 177.090 176.094 0.102 0.000 1.082 525 V CA 2.149 64.532 62.300 0.138 0.000 1.101 525 V CB -0.046 31.823 31.823 0.078 0.000 0.693 525 V HN 0.350 nan 8.190 nan 0.000 0.479 526 D N -0.144 120.293 120.400 0.063 0.000 2.424 526 D HA 0.132 4.764 4.640 -0.014 0.000 0.220 526 D C 0.027 176.365 176.300 0.063 0.000 1.150 526 D CA -0.026 54.003 54.000 0.049 0.000 0.831 526 D CB 0.251 41.059 40.800 0.013 0.000 0.981 526 D HN 0.507 nan 8.370 nan 0.000 0.500 527 D N 1.345 121.815 120.400 0.117 0.000 2.317 527 D HA -0.005 4.627 4.640 -0.014 0.000 0.252 527 D C 1.197 177.593 176.300 0.160 0.000 1.174 527 D CA -0.015 54.071 54.000 0.143 0.000 0.866 527 D CB 1.171 42.113 40.800 0.237 0.000 1.127 527 D HN -0.265 nan 8.370 nan 0.000 0.467 528 E N 2.722 122.986 120.200 0.106 0.000 2.274 528 E HA -0.067 4.274 4.350 -0.014 0.000 0.194 528 E C 1.404 178.061 176.600 0.095 0.000 0.996 528 E CA 0.449 56.900 56.400 0.085 0.000 0.840 528 E CB 0.192 29.924 29.700 0.053 0.000 0.772 528 E HN 0.632 nan 8.360 nan 0.000 0.491 529 A N 0.296 123.192 122.820 0.127 0.000 1.874 529 A HA -0.105 4.206 4.320 -0.014 0.000 0.214 529 A C 1.961 179.654 177.584 0.183 0.000 1.189 529 A CA 0.577 52.690 52.037 0.126 0.000 0.615 529 A CB -0.641 18.436 19.000 0.128 0.000 0.830 529 A HN 0.217 nan 8.150 nan 0.000 0.443 530 F N 0.766 120.746 119.950 0.051 0.000 2.134 530 F HA -0.124 4.396 4.527 -0.012 0.000 0.299 530 F C 2.023 177.840 175.800 0.028 0.000 1.097 530 F CA 1.058 59.079 58.000 0.034 0.000 1.264 530 F CB -0.350 38.695 39.000 0.075 0.000 1.001 530 F HN 0.159 nan 8.300 nan 0.000 0.479 531 I N -0.173 120.454 120.570 0.095 0.000 2.163 531 I HA -0.372 3.790 4.170 -0.014 0.000 0.243 531 I C 2.685 178.763 176.117 -0.065 0.000 1.085 531 I CA 1.890 63.185 61.300 -0.009 0.000 1.347 531 I CB -0.467 37.565 38.000 0.054 0.000 1.044 531 I HN 0.064 nan 8.210 nan 0.000 0.408 532 R N 0.790 121.274 120.500 -0.027 0.000 2.075 532 R HA -0.176 4.156 4.340 -0.014 0.000 0.232 532 R C 1.888 178.148 176.300 -0.067 0.000 1.126 532 R CA 1.787 57.866 56.100 -0.035 0.000 0.963 532 R CB -0.160 30.138 30.300 -0.003 0.000 0.858 532 R HN 0.277 nan 8.270 nan 0.000 0.435 533 D N 0.069 120.415 120.400 -0.089 0.000 2.077 533 D HA -0.138 4.494 4.640 -0.014 0.000 0.193 533 D C 2.027 178.203 176.300 -0.206 0.000 0.989 533 D CA 1.631 55.559 54.000 -0.121 0.000 0.831 533 D CB -0.455 40.287 40.800 -0.097 0.000 0.979 533 D HN 0.066 nan 8.370 nan 0.000 0.449 534 V N 1.634 121.316 119.914 -0.385 0.000 2.277 534 V HA -0.324 3.787 4.120 -0.014 0.000 0.253 534 V C 2.484 178.476 176.094 -0.170 0.000 1.067 534 V CA 2.248 64.333 62.300 -0.358 0.000 1.047 534 V CB -0.862 30.683 31.823 -0.463 0.000 0.649 534 V HN 0.236 nan 8.190 nan 0.000 0.447 535 A N -0.918 121.827 122.820 -0.125 0.000 2.014 535 A HA -0.182 4.130 4.320 -0.014 0.000 0.218 535 A C 2.362 179.908 177.584 -0.062 0.000 1.163 535 A CA 1.744 53.740 52.037 -0.068 0.000 0.652 535 A CB -0.403 18.566 19.000 -0.053 0.000 0.808 535 A HN 0.531 nan 8.150 nan 0.000 0.449 536 K N 0.051 120.411 120.400 -0.068 0.000 2.103 536 K HA -0.045 4.266 4.320 -0.014 0.000 0.204 536 K C 1.797 178.368 176.600 -0.048 0.000 1.052 536 K CA 1.370 57.627 56.287 -0.050 0.000 0.945 536 K CB -0.265 32.210 32.500 -0.043 0.000 0.722 536 K HN 0.211 nan 8.250 nan 0.000 0.443 537 V N 2.100 121.978 119.914 -0.059 0.000 2.252 537 V HA -0.281 3.831 4.120 -0.014 0.000 0.249 537 V C 2.482 178.551 176.094 -0.041 0.000 1.056 537 V CA 2.272 64.543 62.300 -0.049 0.000 1.022 537 V CB -0.494 31.290 31.823 -0.066 0.000 0.641 537 V HN 0.377 nan 8.190 nan 0.000 0.445 538 K N -0.001 120.372 120.400 -0.044 0.000 2.147 538 K HA -0.218 4.093 4.320 -0.014 0.000 0.205 538 K C 2.094 178.655 176.600 -0.064 0.000 1.049 538 K CA 1.595 57.859 56.287 -0.039 0.000 0.936 538 K CB -0.358 32.135 32.500 -0.010 0.000 0.722 538 K HN 0.402 nan 8.250 nan 0.000 0.446 539 Q N 0.621 120.385 119.800 -0.060 0.000 2.172 539 Q HA -0.046 4.286 4.340 -0.014 0.000 0.200 539 Q C 1.578 177.550 176.000 -0.046 0.000 0.964 539 Q CA 1.449 57.210 55.803 -0.070 0.000 0.855 539 Q CB 0.064 28.771 28.738 -0.052 0.000 0.918 539 Q HN 0.354 nan 8.270 nan 0.000 0.444 540 E N -0.032 120.151 120.200 -0.028 0.000 2.051 540 E HA -0.153 4.188 4.350 -0.014 0.000 0.192 540 E C 1.680 178.288 176.600 0.013 0.000 0.991 540 E CA 1.028 57.425 56.400 -0.004 0.000 0.799 540 E CB -0.166 29.531 29.700 -0.006 0.000 0.748 540 E HN 0.425 nan 8.360 nan 0.000 0.449 541 N N 1.271 119.972 118.700 0.001 0.000 2.069 541 N HA -0.149 4.583 4.740 -0.014 0.000 0.191 541 N C 1.729 177.273 175.510 0.057 0.000 1.031 541 N CA 1.085 54.148 53.050 0.022 0.000 0.852 541 N CB -0.253 38.228 38.487 -0.010 0.000 1.018 541 N HN 0.167 nan 8.380 nan 0.000 0.423 542 K N 0.644 121.018 120.400 -0.042 0.000 2.032 542 K HA -0.056 4.256 4.320 -0.014 0.000 0.209 542 K C 2.158 178.824 176.600 0.111 0.000 1.048 542 K CA 0.815 57.032 56.287 -0.116 0.000 0.927 542 K CB -0.260 31.937 32.500 -0.504 0.000 0.712 542 K HN 0.134 nan 8.250 nan 0.000 0.441 543 L N 0.997 122.258 121.223 0.063 0.000 2.083 543 L HA -0.188 4.144 4.340 -0.014 0.000 0.209 543 L C 2.594 179.549 176.870 0.142 0.000 1.083 543 L CA 1.248 56.149 54.840 0.101 0.000 0.752 543 L CB -0.224 41.868 42.059 0.056 0.000 0.899 543 L HN 0.177 nan 8.230 nan 0.000 0.433 544 K N -0.660 119.829 120.400 0.148 0.000 2.155 544 K HA -0.174 4.137 4.320 -0.014 0.000 0.203 544 K C 2.119 178.875 176.600 0.260 0.000 1.052 544 K CA 0.969 57.355 56.287 0.165 0.000 0.948 544 K CB 0.031 32.609 32.500 0.130 0.000 0.728 544 K HN 0.071 nan 8.250 nan 0.000 0.448 545 F N 1.245 121.296 119.950 0.168 0.000 2.163 545 F HA 0.023 4.541 4.527 -0.014 0.000 0.297 545 F C 1.978 177.950 175.800 0.286 0.000 1.094 545 F CA 1.039 59.178 58.000 0.232 0.000 1.290 545 F CB -0.436 38.714 39.000 0.249 0.000 1.017 545 F HN 0.025 nan 8.300 nan 0.000 0.483 546 A N 0.220 123.209 122.820 0.280 0.000 1.978 546 A HA -0.065 4.247 4.320 -0.014 0.000 0.220 546 A C 2.402 180.020 177.584 0.057 0.000 1.170 546 A CA 1.746 53.873 52.037 0.149 0.000 0.636 546 A CB -1.435 17.722 19.000 0.263 0.000 0.810 546 A HN 0.455 nan 8.150 nan 0.000 0.448 547 A N -1.079 121.796 122.820 0.091 0.000 1.841 547 A HA -0.087 4.225 4.320 -0.014 0.000 0.214 547 A C 2.110 179.709 177.584 0.026 0.000 1.195 547 A CA 1.617 53.692 52.037 0.063 0.000 0.611 547 A CB -1.092 17.961 19.000 0.088 0.000 0.835 547 A HN 0.759 nan 8.150 nan 0.000 0.443 548 Y N 0.136 120.396 120.300 -0.066 0.000 2.062 548 Y HA -0.285 4.257 4.550 -0.014 0.000 0.276 548 Y C 2.000 177.804 175.900 -0.160 0.000 1.189 548 Y CA 2.170 60.207 58.100 -0.105 0.000 1.130 548 Y CB -0.491 37.905 38.460 -0.107 0.000 0.959 548 Y HN 0.209 nan 8.280 nan 0.000 0.499 549 L N 0.822 121.903 121.223 -0.236 0.000 1.989 549 L HA -0.220 4.112 4.340 -0.014 0.000 0.211 549 L C 2.488 179.246 176.870 -0.187 0.000 1.071 549 L CA 2.022 56.710 54.840 -0.253 0.000 0.749 549 L CB -1.203 40.687 42.059 -0.281 0.000 0.890 549 L HN 0.291 nan 8.230 nan 0.000 0.431 550 E N -0.778 119.351 120.200 -0.119 0.000 2.130 550 E HA -0.263 4.078 4.350 -0.014 0.000 0.196 550 E C 2.187 178.720 176.600 -0.111 0.000 0.998 550 E CA 1.180 57.532 56.400 -0.080 0.000 0.806 550 E CB -0.053 29.641 29.700 -0.010 0.000 0.738 550 E HN 0.429 nan 8.360 nan 0.000 0.459 551 R N 0.953 121.357 120.500 -0.159 0.000 2.060 551 R HA -0.092 4.239 4.340 -0.014 0.000 0.206 551 R C 2.096 178.225 176.300 -0.284 0.000 1.226 551 R CA 1.092 57.083 56.100 -0.182 0.000 1.002 551 R CB -0.286 29.918 30.300 -0.160 0.000 0.791 551 R HN -0.112 nan 8.270 nan 0.000 0.489 552 E N -1.057 118.844 120.200 -0.497 0.000 2.219 552 E HA -0.189 4.153 4.350 -0.014 0.000 0.198 552 E C 0.410 176.577 176.600 -0.721 0.000 0.998 552 E CA 1.502 57.487 56.400 -0.690 0.000 0.818 552 E CB 0.128 29.159 29.700 -1.114 0.000 0.741 552 E HN 0.426 nan 8.360 nan 0.000 0.477 553 Y N -1.837 118.265 120.300 -0.330 0.000 2.767 553 Y HA 0.225 4.766 4.550 -0.014 0.000 0.254 553 Y C 1.019 176.812 175.900 -0.178 0.000 1.133 553 Y CA -0.234 57.741 58.100 -0.208 0.000 1.225 553 Y CB 0.639 38.982 38.460 -0.195 0.000 1.312 553 Y HN -0.183 nan 8.280 nan 0.000 0.560 554 K N 0.105 120.458 120.400 -0.077 0.000 8.476 554 K HA -0.400 3.912 4.320 -0.014 0.000 0.488 554 K C 1.527 178.006 176.600 -0.201 0.000 0.381 554 K CA 2.846 59.064 56.287 -0.115 0.000 1.931 554 K CB -1.754 30.691 32.500 -0.092 0.000 0.770 554 K HN 0.326 nan 8.250 nan 0.000 0.953 555 V N -1.017 118.770 119.914 -0.213 0.000 2.410 555 V HA -0.400 3.712 4.120 -0.014 0.000 0.270 555 V C 0.621 176.476 176.094 -0.398 0.000 1.248 555 V CA 2.758 64.881 62.300 -0.294 0.000 1.109 555 V CB -2.504 29.229 31.823 -0.150 0.000 0.878 555 V HN 1.283 nan 8.190 nan 0.000 0.453 556 H N -0.162 118.891 119.070 -0.028 0.000 2.204 556 H HA -0.077 4.471 4.556 -0.014 0.000 0.277 556 H C -0.380 174.936 175.328 -0.020 0.000 0.735 556 H CA 0.638 56.676 56.048 -0.017 0.000 0.917 556 H CB -2.088 27.674 29.762 -0.001 0.000 1.452 556 H HN 1.120 nan 8.280 nan 0.000 0.251 557 I N -1.011 119.636 120.570 0.128 0.000 3.067 557 I HA 0.549 4.711 4.170 -0.014 0.000 0.312 557 I C 0.096 176.279 176.117 0.110 0.000 1.073 557 I CA -1.470 59.869 61.300 0.065 0.000 1.016 557 I CB 2.138 40.104 38.000 -0.057 0.000 1.227 557 I HN 0.539 nan 8.210 nan 0.000 0.456 558 N N 3.083 121.854 118.700 0.119 0.000 2.420 558 N HA 0.374 5.106 4.740 -0.014 0.000 0.249 558 N C -2.052 173.623 175.510 0.275 0.000 1.033 558 N CA -2.468 50.674 53.050 0.152 0.000 0.944 558 N CB 1.062 39.613 38.487 0.106 0.000 1.113 558 N HN 0.360 nan 8.380 nan 0.000 0.502 559 P HA -0.025 nan 4.420 nan 0.000 0.223 559 P C -0.055 177.296 177.300 0.085 0.000 1.144 559 P CA 1.120 64.347 63.100 0.211 0.000 0.783 559 P CB 0.190 31.961 31.700 0.119 0.000 0.771 560 N N -1.380 117.387 118.700 0.112 0.000 2.383 560 N HA 0.014 4.746 4.740 -0.014 0.000 0.192 560 N C -0.019 175.569 175.510 0.130 0.000 1.141 560 N CA -0.074 53.029 53.050 0.089 0.000 0.851 560 N CB 0.015 38.548 38.487 0.077 0.000 0.976 560 N HN 0.181 nan 8.380 nan 0.000 0.465 561 S N 0.019 115.816 115.700 0.162 0.000 2.672 561 S HA 0.294 4.755 4.470 -0.014 0.000 0.276 561 S C -0.157 174.444 174.600 0.001 0.000 1.207 561 S CA -1.001 57.263 58.200 0.106 0.000 1.002 561 S CB 1.357 64.622 63.200 0.109 0.000 0.998 561 S HN -0.005 nan 8.310 nan 0.000 0.542 562 L N 1.884 122.879 121.223 -0.381 0.000 2.462 562 L HA 0.350 4.681 4.340 -0.014 0.000 0.272 562 L C -1.345 175.490 176.870 -0.059 0.000 1.166 562 L CA -0.195 54.229 54.840 -0.693 0.000 0.880 562 L CB -0.999 40.437 42.059 -1.038 0.000 1.142 562 L HN 0.658 nan 8.230 nan 0.000 0.473 563 F N 4.308 124.142 119.950 -0.194 0.000 2.335 563 F HA 0.244 4.764 4.527 -0.013 0.000 0.365 563 F C 0.492 176.253 175.800 -0.064 0.000 1.122 563 F CA -1.170 56.789 58.000 -0.069 0.000 1.151 563 F CB 0.375 39.383 39.000 0.014 0.000 1.282 563 F HN 0.472 nan 8.300 nan 0.000 0.513 564 D N 3.500 123.929 120.400 0.050 0.000 2.347 564 D HA 0.299 4.931 4.640 -0.014 0.000 0.235 564 D C -1.026 175.260 176.300 -0.023 0.000 1.149 564 D CA 0.179 54.171 54.000 -0.014 0.000 0.850 564 D CB 1.275 42.042 40.800 -0.055 0.000 1.061 564 D HN 0.311 nan 8.370 nan 0.000 0.487 565 V N 4.071 123.966 119.914 -0.031 0.000 2.577 565 V HA 0.419 4.531 4.120 -0.014 0.000 0.303 565 V C -1.427 174.603 176.094 -0.107 0.000 1.042 565 V CA -0.668 61.613 62.300 -0.032 0.000 0.872 565 V CB 1.905 33.785 31.823 0.094 0.000 0.998 565 V HN 0.523 nan 8.190 nan 0.000 0.423 566 Q N 4.640 124.366 119.800 -0.125 0.000 2.394 566 Q HA 0.665 4.996 4.340 -0.014 0.000 0.259 566 Q C -1.202 174.672 176.000 -0.210 0.000 1.021 566 Q CA -0.608 55.099 55.803 -0.161 0.000 0.805 566 Q CB 1.770 30.419 28.738 -0.149 0.000 1.226 566 Q HN 0.969 nan 8.270 nan 0.000 0.476 567 V N 2.211 121.991 119.914 -0.224 0.000 2.444 567 V HA 0.814 4.925 4.120 -0.014 0.000 0.294 567 V C -0.713 175.080 176.094 -0.502 0.000 1.022 567 V CA -0.627 61.315 62.300 -0.597 0.000 0.850 567 V CB 1.236 32.503 31.823 -0.928 0.000 0.992 567 V HN 0.806 nan 8.190 nan 0.000 0.426 568 K N 2.942 123.099 120.400 -0.404 0.000 2.886 568 K HA 0.507 4.819 4.320 -0.014 0.000 0.291 568 K C -1.304 175.287 176.600 -0.015 0.000 1.057 568 K CA -1.137 55.097 56.287 -0.088 0.000 0.797 568 K CB 1.047 33.499 32.500 -0.081 0.000 1.490 568 K HN 0.436 nan 8.250 nan 0.000 0.365 569 R N 0.658 121.191 120.500 0.054 0.000 2.582 569 R HA 0.318 4.650 4.340 -0.014 0.000 0.271 569 R C 0.328 176.640 176.300 0.020 0.000 1.078 569 R CA -0.623 55.529 56.100 0.086 0.000 1.127 569 R CB 0.025 30.404 30.300 0.131 0.000 1.038 569 R HN 0.515 nan 8.270 nan 0.000 0.500 570 I N 3.678 124.285 120.570 0.061 0.000 2.270 570 I HA 0.066 4.228 4.170 -0.014 0.000 0.300 570 I C 0.486 176.600 176.117 -0.006 0.000 1.186 570 I CA 0.329 61.632 61.300 0.006 0.000 1.431 570 I CB -1.285 36.734 38.000 0.031 0.000 1.485 570 I HN 0.373 nan 8.210 nan 0.000 0.650 571 H N 2.869 121.845 119.070 -0.157 0.000 2.622 571 H HA 0.238 4.786 4.556 -0.014 0.000 0.363 571 H C 0.984 176.163 175.328 -0.248 0.000 1.151 571 H CA -0.554 55.426 56.048 -0.114 0.000 1.184 571 H CB 1.963 31.594 29.762 -0.218 0.000 1.643 571 H HN 0.428 nan 8.280 nan 0.000 0.531 572 E N 2.028 122.369 120.200 0.234 0.000 2.114 572 E HA -0.323 4.019 4.350 -0.014 0.000 0.199 572 E C 1.247 177.655 176.600 -0.320 0.000 1.008 572 E CA 1.871 58.322 56.400 0.086 0.000 0.810 572 E CB -0.131 29.816 29.700 0.412 0.000 0.739 572 E HN 0.682 nan 8.360 nan 0.000 0.456 573 Y N 0.511 120.285 120.300 -0.876 0.000 2.497 573 Y HA -0.001 4.541 4.550 -0.014 0.000 0.292 573 Y C 1.477 177.087 175.900 -0.484 0.000 1.137 573 Y CA 0.628 58.025 58.100 -1.173 0.000 1.285 573 Y CB 0.054 37.711 38.460 -1.339 0.000 0.991 573 Y HN -0.193 nan 8.280 nan 0.000 0.556 574 K N 0.935 120.835 120.400 -0.832 0.000 2.305 574 K HA 0.064 4.376 4.320 -0.014 0.000 0.199 574 K C 0.248 176.668 176.600 -0.299 0.000 1.047 574 K CA 0.607 56.536 56.287 -0.595 0.000 0.976 574 K CB -0.058 32.089 32.500 -0.588 0.000 0.765 574 K HN 0.384 nan 8.250 nan 0.000 0.474 575 R N 0.935 121.290 120.500 -0.242 0.000 3.261 575 R HA -0.172 4.160 4.340 -0.014 0.000 0.257 575 R C 0.513 176.733 176.300 -0.134 0.000 1.014 575 R CA 0.121 56.130 56.100 -0.151 0.000 0.681 575 R CB -1.832 28.390 30.300 -0.130 0.000 1.155 575 R HN 0.207 nan 8.270 nan 0.000 0.424 576 Q N 0.162 119.887 119.800 -0.125 0.000 2.226 576 Q HA -0.055 4.277 4.340 -0.014 0.000 0.204 576 Q C 1.858 177.812 176.000 -0.077 0.000 0.975 576 Q CA 1.452 57.197 55.803 -0.096 0.000 0.866 576 Q CB 0.061 28.750 28.738 -0.082 0.000 0.915 576 Q HN 0.598 nan 8.270 nan 0.000 0.440 577 L N -0.787 120.393 121.223 -0.072 0.000 2.141 577 L HA -0.153 4.179 4.340 -0.014 0.000 0.209 577 L C 1.914 178.783 176.870 -0.003 0.000 1.094 577 L CA 0.424 55.235 54.840 -0.047 0.000 0.763 577 L CB -0.259 41.782 42.059 -0.030 0.000 0.908 577 L HN 0.288 nan 8.230 nan 0.000 0.437 578 L N -0.000 121.208 121.223 -0.024 0.000 2.005 578 L HA -0.216 4.116 4.340 -0.014 0.000 0.207 578 L C 2.108 178.996 176.870 0.031 0.000 1.072 578 L CA 1.942 56.775 54.840 -0.012 0.000 0.744 578 L CB -0.881 41.064 42.059 -0.190 0.000 0.895 578 L HN 0.306 nan 8.230 nan 0.000 0.433 579 N N -1.408 117.265 118.700 -0.046 0.000 2.060 579 N HA -0.290 4.442 4.740 -0.014 0.000 0.195 579 N C 1.986 177.588 175.510 0.153 0.000 1.028 579 N CA 1.930 55.059 53.050 0.131 0.000 0.861 579 N CB -0.224 38.283 38.487 0.033 0.000 1.029 579 N HN 0.519 nan 8.380 nan 0.000 0.428 580 C N 0.532 119.854 119.300 0.037 0.000 2.401 580 C HA -0.110 4.342 4.460 -0.014 0.000 0.276 580 C C 2.650 177.651 174.990 0.019 0.000 1.233 580 C CA 0.486 59.487 59.018 -0.028 0.000 1.753 580 C CB -1.267 26.408 27.740 -0.107 0.000 2.029 580 C HN 0.512 nan 8.230 nan 0.000 0.478 581 L N -0.647 120.646 121.223 0.116 0.000 2.056 581 L HA -0.180 4.152 4.340 -0.014 0.000 0.207 581 L C 2.706 179.749 176.870 0.288 0.000 1.078 581 L CA 1.772 56.723 54.840 0.185 0.000 0.749 581 L CB -1.138 41.076 42.059 0.257 0.000 0.901 581 L HN 0.595 nan 8.230 nan 0.000 0.433 582 H N -0.356 118.870 119.070 0.260 0.000 2.290 582 H HA -0.202 4.346 4.556 -0.014 0.000 0.298 582 H C 2.325 177.688 175.328 0.058 0.000 1.087 582 H CA 2.211 58.348 56.048 0.149 0.000 1.291 582 H CB 0.213 30.053 29.762 0.129 0.000 1.369 582 H HN 0.144 nan 8.280 nan 0.000 0.492 583 V N 1.169 120.992 119.914 -0.152 0.000 2.515 583 V HA -0.172 3.939 4.120 -0.014 0.000 0.250 583 V C 2.563 178.616 176.094 -0.069 0.000 1.058 583 V CA 1.406 63.575 62.300 -0.218 0.000 1.064 583 V CB -0.476 31.268 31.823 -0.132 0.000 0.675 583 V HN 0.383 nan 8.190 nan 0.000 0.461 584 I N -0.216 120.356 120.570 0.004 0.000 2.286 584 I HA -0.226 3.936 4.170 -0.014 0.000 0.248 584 I C 2.428 178.668 176.117 0.205 0.000 1.115 584 I CA 1.963 63.360 61.300 0.161 0.000 1.392 584 I CB -0.599 37.484 38.000 0.139 0.000 1.065 584 I HN 0.315 nan 8.210 nan 0.000 0.418 585 T N 1.004 115.618 114.554 0.099 0.000 2.701 585 T HA -0.138 4.203 4.350 -0.014 0.000 0.263 585 T C 1.882 176.578 174.700 -0.007 0.000 1.040 585 T CA 1.068 63.212 62.100 0.074 0.000 1.147 585 T CB -0.288 68.643 68.868 0.106 0.000 0.865 585 T HN 0.072 nan 8.240 nan 0.000 0.426 586 L N 0.484 121.639 121.223 -0.113 0.000 1.997 586 L HA -0.146 4.185 4.340 -0.014 0.000 0.216 586 L C 2.167 179.018 176.870 -0.033 0.000 1.074 586 L CA 1.807 56.568 54.840 -0.133 0.000 0.763 586 L CB -1.080 40.834 42.059 -0.241 0.000 0.890 586 L HN 0.345 nan 8.230 nan 0.000 0.434 587 Y N 0.489 120.749 120.300 -0.066 0.000 2.081 587 Y HA -0.321 4.220 4.550 -0.014 0.000 0.280 587 Y C 2.486 178.387 175.900 0.002 0.000 1.163 587 Y CA 2.179 60.278 58.100 -0.003 0.000 1.135 587 Y CB -0.498 38.010 38.460 0.080 0.000 0.970 587 Y HN 0.322 nan 8.280 nan 0.000 0.498 588 N N 0.298 118.914 118.700 -0.141 0.000 2.166 588 N HA -0.129 4.603 4.740 -0.014 0.000 0.186 588 N C 1.931 177.324 175.510 -0.195 0.000 1.019 588 N CA 1.452 54.365 53.050 -0.229 0.000 0.856 588 N CB -0.353 38.099 38.487 -0.058 0.000 0.993 588 N HN 0.461 nan 8.380 nan 0.000 0.426 589 R N 0.711 121.134 120.500 -0.128 0.000 2.090 589 R HA 0.064 4.396 4.340 -0.014 0.000 0.228 589 R C 2.096 178.324 176.300 -0.119 0.000 1.110 589 R CA 0.841 56.877 56.100 -0.106 0.000 0.973 589 R CB -0.176 30.075 30.300 -0.081 0.000 0.869 589 R HN 0.377 nan 8.270 nan 0.000 0.440 590 I N -1.849 118.638 120.570 -0.139 0.000 3.793 590 I HA 0.117 4.279 4.170 -0.014 0.000 0.315 590 I C 1.567 177.591 176.117 -0.155 0.000 1.275 590 I CA 0.666 61.893 61.300 -0.122 0.000 1.214 590 I CB 0.180 38.120 38.000 -0.100 0.000 1.018 590 I HN -0.154 nan 8.210 nan 0.000 0.439 591 K N 1.770 122.024 120.400 -0.243 0.000 2.186 591 K HA -0.012 4.300 4.320 -0.014 0.000 0.202 591 K C 2.117 178.614 176.600 -0.172 0.000 1.052 591 K CA 0.787 56.918 56.287 -0.261 0.000 0.965 591 K CB -0.049 32.168 32.500 -0.471 0.000 0.746 591 K HN 0.027 nan 8.250 nan 0.000 0.457 592 K N 1.384 121.692 120.400 -0.154 0.000 2.057 592 K HA -0.035 4.276 4.320 -0.014 0.000 0.206 592 K C -0.215 176.337 176.600 -0.081 0.000 1.050 592 K CA 1.365 57.587 56.287 -0.110 0.000 0.935 592 K CB 0.253 32.694 32.500 -0.097 0.000 0.715 592 K HN 0.228 nan 8.250 nan 0.000 0.439 593 E N 0.437 120.590 120.200 -0.077 0.000 3.568 593 E HA 0.166 4.508 4.350 -0.014 0.000 0.213 593 E C -2.256 174.315 176.600 -0.048 0.000 1.197 593 E CA -1.536 54.832 56.400 -0.053 0.000 1.126 593 E CB 1.204 30.877 29.700 -0.044 0.000 1.285 593 E HN 0.042 nan 8.360 nan 0.000 0.418 594 P HA -0.178 nan 4.420 nan 0.000 0.217 594 P C 0.315 177.605 177.300 -0.017 0.000 1.148 594 P CA 1.334 64.410 63.100 -0.040 0.000 0.834 594 P CB 0.137 31.817 31.700 -0.033 0.000 0.783 595 N N -0.979 117.717 118.700 -0.006 0.000 2.376 595 N HA 0.049 4.781 4.740 -0.014 0.000 0.249 595 N C -0.069 175.460 175.510 0.031 0.000 1.140 595 N CA -0.283 52.776 53.050 0.014 0.000 0.870 595 N CB -0.067 38.426 38.487 0.010 0.000 1.124 595 N HN 0.276 nan 8.380 nan 0.000 0.505 596 K N 0.212 120.627 120.400 0.025 0.000 2.172 596 K HA 0.200 4.512 4.320 -0.014 0.000 0.276 596 K C -0.770 175.885 176.600 0.093 0.000 1.013 596 K CA -0.680 55.635 56.287 0.047 0.000 0.913 596 K CB 1.041 33.545 32.500 0.006 0.000 1.055 596 K HN -0.150 nan 8.250 nan 0.000 0.461 597 F N 3.802 123.742 119.950 -0.018 0.000 2.484 597 F HA 0.225 4.743 4.527 -0.014 0.000 0.360 597 F C -0.449 175.341 175.800 -0.017 0.000 1.101 597 F CA -0.277 57.714 58.000 -0.015 0.000 1.251 597 F CB 0.842 39.835 39.000 -0.012 0.000 1.132 597 F HN 0.401 nan 8.300 nan 0.000 0.570 598 V N 4.356 123.848 119.914 -0.703 0.000 2.876 598 V HA 0.549 4.660 4.120 -0.014 0.000 0.312 598 V C -0.733 174.753 176.094 -1.014 0.000 1.085 598 V CA -1.215 60.722 62.300 -0.605 0.000 0.945 598 V CB 1.040 32.676 31.823 -0.311 0.000 1.017 598 V HN 0.570 nan 8.190 nan 0.000 0.428 599 V N 5.988 125.507 119.914 -0.659 0.000 2.475 599 V HA 0.162 4.273 4.120 -0.014 0.000 0.292 599 V C -1.459 174.443 176.094 -0.320 0.000 1.003 599 V CA -0.279 61.765 62.300 -0.427 0.000 1.120 599 V CB 0.554 32.288 31.823 -0.147 0.000 0.937 599 V HN 0.963 nan 8.190 nan 0.000 0.476 600 P HA 0.223 nan 4.420 nan 0.000 0.268 600 P C -0.766 176.455 177.300 -0.132 0.000 1.205 600 P CA -0.197 62.816 63.100 -0.145 0.000 0.771 600 P CB 0.595 32.261 31.700 -0.056 0.000 0.858 601 R N 0.306 120.734 120.500 -0.120 0.000 2.651 601 R HA 0.567 4.899 4.340 -0.014 0.000 0.278 601 R C -1.335 174.914 176.300 -0.084 0.000 1.010 601 R CA -0.734 55.293 56.100 -0.120 0.000 0.896 601 R CB 0.595 30.796 30.300 -0.165 0.000 1.211 601 R HN 0.205 nan 8.270 nan 0.000 0.456 602 T N 2.202 116.714 114.554 -0.070 0.000 2.753 602 T HA 0.211 4.553 4.350 -0.014 0.000 0.297 602 T C -0.615 173.996 174.700 -0.148 0.000 0.981 602 T CA -0.513 61.501 62.100 -0.144 0.000 0.956 602 T CB 1.147 69.830 68.868 -0.308 0.000 0.936 602 T HN 0.396 nan 8.240 nan 0.000 0.463 603 V N 6.305 126.144 119.914 -0.126 0.000 2.394 603 V HA 0.622 4.734 4.120 -0.014 0.000 0.282 603 V C -0.653 175.370 176.094 -0.117 0.000 1.031 603 V CA -0.728 61.510 62.300 -0.104 0.000 0.881 603 V CB 1.086 32.862 31.823 -0.079 0.000 0.982 603 V HN 0.885 nan 8.190 nan 0.000 0.451 604 M N 8.146 127.677 119.600 -0.116 0.000 2.085 604 M HA 0.558 5.030 4.480 -0.014 0.000 0.309 604 M C -1.116 175.089 176.300 -0.159 0.000 0.947 604 M CA -0.111 55.110 55.300 -0.131 0.000 0.918 604 M CB 1.754 34.294 32.600 -0.101 0.000 1.504 604 M HN 0.421 nan 8.290 nan 0.000 0.420 605 I N 2.177 122.623 120.570 -0.206 0.000 2.378 605 I HA 0.799 4.960 4.170 -0.014 0.000 0.291 605 I C 0.310 176.081 176.117 -0.578 0.000 0.992 605 I CA -0.632 60.518 61.300 -0.250 0.000 1.154 605 I CB 2.013 39.957 38.000 -0.092 0.000 1.315 605 I HN 0.756 nan 8.210 nan 0.000 0.448 606 G N 3.151 111.574 108.800 -0.630 0.000 2.659 606 G HA2 0.824 4.775 3.960 -0.014 0.000 0.296 606 G HA3 0.824 4.775 3.960 -0.014 0.000 0.296 606 G C -0.915 173.664 174.900 -0.534 0.000 1.369 606 G CA -0.775 43.811 45.100 -0.857 0.000 0.937 606 G HN 0.972 nan 8.290 nan 0.000 0.485 607 G N -0.234 108.443 108.800 -0.205 0.000 2.350 607 G HA2 0.424 4.375 3.960 -0.014 0.000 0.305 607 G HA3 0.424 4.375 3.960 -0.014 0.000 0.305 607 G C -1.502 173.552 174.900 0.256 0.000 1.479 607 G CA -1.023 44.120 45.100 0.072 0.000 0.949 607 G HN 0.608 nan 8.290 nan 0.000 0.651 608 K N -0.120 120.425 120.400 0.241 0.000 2.164 608 K HA 0.750 5.062 4.320 -0.014 0.000 0.258 608 K C 0.184 176.958 176.600 0.289 0.000 0.951 608 K CA -0.388 56.066 56.287 0.278 0.000 0.844 608 K CB 2.297 34.880 32.500 0.139 0.000 1.099 608 K HN 0.859 nan 8.250 nan 0.000 0.435 609 A N 1.479 124.500 122.820 0.336 0.000 2.304 609 A HA 0.614 4.926 4.320 -0.014 0.000 0.301 609 A C -0.310 177.525 177.584 0.418 0.000 1.132 609 A CA -0.582 51.627 52.037 0.288 0.000 0.819 609 A CB 0.782 19.882 19.000 0.166 0.000 1.094 609 A HN 0.781 nan 8.150 nan 0.000 0.492 610 A N 3.486 126.573 122.820 0.445 0.000 2.440 610 A HA 0.519 4.831 4.320 -0.014 0.000 0.251 610 A C -1.195 176.551 177.584 0.271 0.000 1.089 610 A CA -1.041 51.251 52.037 0.425 0.000 0.779 610 A CB -0.402 18.888 19.000 0.483 0.000 1.022 610 A HN 0.634 nan 8.150 nan 0.000 0.492 611 P HA -0.248 nan 4.420 nan 0.000 0.225 611 P C 1.179 178.495 177.300 0.026 0.000 1.154 611 P CA 2.542 65.611 63.100 -0.052 0.000 0.933 611 P CB 0.193 31.811 31.700 -0.136 0.000 0.790 612 G N -3.824 105.012 108.800 0.060 0.000 3.605 612 G HA2 -0.006 3.945 3.960 -0.014 0.000 0.277 612 G HA3 -0.006 3.945 3.960 -0.014 0.000 0.277 612 G C -0.555 174.435 174.900 0.150 0.000 1.093 612 G CA -0.028 45.103 45.100 0.052 0.000 0.821 612 G HN 0.145 nan 8.290 nan 0.000 0.532 613 Y N 1.734 122.095 120.300 0.101 0.000 2.595 613 Y HA 0.250 4.792 4.550 -0.014 0.000 0.347 613 Y C 1.236 177.249 175.900 0.187 0.000 1.025 613 Y CA -1.734 56.481 58.100 0.192 0.000 1.295 613 Y CB -0.479 38.189 38.460 0.348 0.000 1.147 613 Y HN 0.428 nan 8.280 nan 0.000 0.515 614 H N 4.494 123.731 119.070 0.278 0.000 2.319 614 H HA -0.159 4.389 4.556 -0.014 0.000 0.299 614 H C 1.524 176.884 175.328 0.054 0.000 1.092 614 H CA 1.685 57.813 56.048 0.134 0.000 1.302 614 H CB 0.561 30.392 29.762 0.115 0.000 1.373 614 H HN 0.525 nan 8.280 nan 0.000 0.497 615 M N 0.766 120.327 119.600 -0.065 0.000 2.082 615 M HA -0.155 4.317 4.480 -0.014 0.000 0.258 615 M C 2.731 178.772 176.300 -0.433 0.000 1.069 615 M CA 1.517 56.668 55.300 -0.248 0.000 1.102 615 M CB -1.325 31.222 32.600 -0.089 0.000 1.336 615 M HN 0.431 nan 8.290 nan 0.000 0.404 616 A N -0.110 122.212 122.820 -0.831 0.000 1.902 616 A HA -0.170 4.142 4.320 -0.014 0.000 0.217 616 A C 2.144 179.580 177.584 -0.247 0.000 1.181 616 A CA 1.441 53.108 52.037 -0.617 0.000 0.623 616 A CB -0.445 18.084 19.000 -0.785 0.000 0.818 616 A HN 0.398 nan 8.150 nan 0.000 0.443 617 K N -0.876 119.450 120.400 -0.125 0.000 2.148 617 K HA -0.043 4.268 4.320 -0.014 0.000 0.204 617 K C 1.854 178.469 176.600 0.025 0.000 1.050 617 K CA 0.974 57.282 56.287 0.036 0.000 0.942 617 K CB -0.400 32.208 32.500 0.181 0.000 0.724 617 K HN 0.395 nan 8.250 nan 0.000 0.446 618 M N 0.624 120.177 119.600 -0.078 0.000 2.132 618 M HA -0.023 4.449 4.480 -0.014 0.000 0.263 618 M C 2.314 178.565 176.300 -0.081 0.000 1.065 618 M CA 1.230 56.497 55.300 -0.056 0.000 1.122 618 M CB -0.774 31.724 32.600 -0.170 0.000 1.365 618 M HN 0.039 nan 8.290 nan 0.000 0.411 619 I N -0.188 120.291 120.570 -0.152 0.000 2.226 619 I HA -0.296 3.865 4.170 -0.014 0.000 0.245 619 I C 2.284 178.270 176.117 -0.218 0.000 1.100 619 I CA 1.077 62.272 61.300 -0.175 0.000 1.374 619 I CB -0.320 37.581 38.000 -0.164 0.000 1.057 619 I HN 0.175 nan 8.210 nan 0.000 0.413 620 I N 0.679 121.094 120.570 -0.258 0.000 2.286 620 I HA -0.298 3.864 4.170 -0.014 0.000 0.248 620 I C 2.557 178.369 176.117 -0.509 0.000 1.115 620 I CA 1.190 62.196 61.300 -0.491 0.000 1.392 620 I CB -0.317 37.380 38.000 -0.505 0.000 1.065 620 I HN 0.165 nan 8.210 nan 0.000 0.418 621 K N 1.511 121.657 120.400 -0.424 0.000 2.097 621 K HA -0.107 4.205 4.320 -0.014 0.000 0.205 621 K C 1.999 178.463 176.600 -0.225 0.000 1.050 621 K CA 1.362 57.337 56.287 -0.519 0.000 0.938 621 K CB -0.471 31.518 32.500 -0.852 0.000 0.718 621 K HN 0.220 nan 8.250 nan 0.000 0.442 622 L N 0.248 121.336 121.223 -0.225 0.000 2.017 622 L HA -0.177 4.155 4.340 -0.014 0.000 0.208 622 L C 2.178 178.791 176.870 -0.429 0.000 1.073 622 L CA 1.631 56.144 54.840 -0.546 0.000 0.745 622 L CB -0.270 41.407 42.059 -0.637 0.000 0.894 622 L HN 0.225 nan 8.230 nan 0.000 0.432 623 I N -0.427 119.952 120.570 -0.318 0.000 2.179 623 I HA -0.320 3.841 4.170 -0.014 0.000 0.242 623 I C 2.602 178.596 176.117 -0.205 0.000 1.088 623 I CA 1.946 63.113 61.300 -0.221 0.000 1.357 623 I CB -0.544 37.424 38.000 -0.053 0.000 1.051 623 I HN 0.421 nan 8.210 nan 0.000 0.409 624 T N -1.099 113.306 114.554 -0.248 0.000 2.904 624 T HA 0.023 4.364 4.350 -0.014 0.000 0.267 624 T C 2.008 176.608 174.700 -0.168 0.000 1.059 624 T CA 0.747 62.734 62.100 -0.188 0.000 1.137 624 T CB -0.446 68.269 68.868 -0.255 0.000 0.879 624 T HN 0.312 nan 8.240 nan 0.000 0.467 625 A N 1.580 124.293 122.820 -0.179 0.000 1.933 625 A HA 0.093 4.405 4.320 -0.014 0.000 0.218 625 A C 2.344 179.843 177.584 -0.140 0.000 1.175 625 A CA 1.331 53.311 52.037 -0.095 0.000 0.628 625 A CB -0.864 18.164 19.000 0.046 0.000 0.814 625 A HN 0.599 nan 8.150 nan 0.000 0.444 626 I N -0.458 119.912 120.570 -0.333 0.000 2.202 626 I HA -0.188 3.974 4.170 -0.014 0.000 0.242 626 I C 2.698 178.684 176.117 -0.218 0.000 1.091 626 I CA 1.216 62.261 61.300 -0.425 0.000 1.368 626 I CB -0.626 37.051 38.000 -0.539 0.000 1.058 626 I HN 0.387 nan 8.210 nan 0.000 0.410 627 G N -0.024 108.668 108.800 -0.180 0.000 2.448 627 G HA2 -0.230 3.722 3.960 -0.014 0.000 0.219 627 G HA3 -0.230 3.722 3.960 -0.014 0.000 0.219 627 G C 1.298 176.115 174.900 -0.138 0.000 1.127 627 G CA 0.685 45.693 45.100 -0.153 0.000 0.766 627 G HN 0.275 nan 8.290 nan 0.000 0.552 628 D N 0.165 120.534 120.400 -0.052 0.000 2.097 628 D HA -0.085 4.547 4.640 -0.014 0.000 0.195 628 D C 2.778 179.132 176.300 0.090 0.000 0.989 628 D CA 0.762 54.813 54.000 0.085 0.000 0.827 628 D CB -0.224 40.614 40.800 0.063 0.000 0.966 628 D HN 0.185 nan 8.370 nan 0.000 0.456 629 V N 0.603 120.507 119.914 -0.017 0.000 2.244 629 V HA -0.199 3.913 4.120 -0.014 0.000 0.244 629 V C 2.710 178.728 176.094 -0.127 0.000 1.042 629 V CA 1.074 63.324 62.300 -0.084 0.000 1.006 629 V CB -0.516 31.195 31.823 -0.187 0.000 0.641 629 V HN 0.026 nan 8.190 nan 0.000 0.446 630 V N 0.846 120.625 119.914 -0.225 0.000 2.287 630 V HA -0.266 3.845 4.120 -0.014 0.000 0.248 630 V C 2.072 178.079 176.094 -0.146 0.000 1.053 630 V CA 2.376 64.567 62.300 -0.181 0.000 1.027 630 V CB -1.008 30.708 31.823 -0.179 0.000 0.646 630 V HN 0.587 nan 8.190 nan 0.000 0.447 631 N N -0.622 117.902 118.700 -0.294 0.000 2.550 631 N HA -0.063 4.668 4.740 -0.014 0.000 0.186 631 N C 1.026 176.188 175.510 -0.579 0.000 1.110 631 N CA 0.745 53.550 53.050 -0.409 0.000 0.912 631 N CB -0.288 37.903 38.487 -0.492 0.000 0.968 631 N HN 0.719 nan 8.380 nan 0.000 0.448 632 H N -1.893 117.187 119.070 0.016 0.000 2.662 632 H HA 0.238 4.785 4.556 -0.014 0.000 0.268 632 H C -0.678 174.678 175.328 0.046 0.000 1.152 632 H CA -0.496 55.567 56.048 0.026 0.000 1.072 632 H CB 0.732 30.500 29.762 0.010 0.000 1.660 632 H HN -0.011 nan 8.280 nan 0.000 0.584 633 D N 1.880 122.342 120.400 0.104 0.000 2.232 633 D HA 0.066 4.698 4.640 -0.014 0.000 0.242 633 D C -1.540 174.823 176.300 0.104 0.000 1.093 633 D CA -2.063 52.023 54.000 0.144 0.000 0.845 633 D CB 2.270 43.220 40.800 0.249 0.000 1.124 633 D HN 0.128 nan 8.370 nan 0.000 0.467 634 P HA -0.048 nan 4.420 nan 0.000 0.224 634 P C 1.487 178.816 177.300 0.049 0.000 1.157 634 P CA 0.174 63.311 63.100 0.061 0.000 0.799 634 P CB 0.706 32.438 31.700 0.054 0.000 0.809 635 V N 0.338 120.283 119.914 0.051 0.000 2.626 635 V HA -0.136 3.976 4.120 -0.014 0.000 0.252 635 V C 2.749 178.860 176.094 0.028 0.000 1.067 635 V CA 1.288 63.606 62.300 0.029 0.000 1.081 635 V CB -0.846 30.987 31.823 0.017 0.000 0.686 635 V HN -0.062 nan 8.190 nan 0.000 0.468 636 V N -0.059 119.889 119.914 0.057 0.000 2.515 636 V HA 0.060 4.172 4.120 -0.014 0.000 0.250 636 V C 1.824 177.937 176.094 0.032 0.000 1.058 636 V CA 1.455 63.789 62.300 0.057 0.000 1.064 636 V CB -1.161 30.732 31.823 0.116 0.000 0.675 636 V HN 0.728 nan 8.190 nan 0.000 0.461 637 G N 1.568 110.388 108.800 0.034 0.000 2.583 637 G HA2 -0.378 3.574 3.960 -0.014 0.000 0.292 637 G HA3 -0.378 3.574 3.960 -0.014 0.000 0.292 637 G C 0.468 175.378 174.900 0.016 0.000 1.203 637 G CA 0.467 45.581 45.100 0.024 0.000 0.987 637 G HN 0.637 nan 8.290 nan 0.000 0.554 638 D N 0.193 120.601 120.400 0.012 0.000 2.440 638 D HA 0.179 4.811 4.640 -0.014 0.000 0.216 638 D C 1.865 178.165 176.300 -0.000 0.000 1.150 638 D CA -0.033 53.971 54.000 0.007 0.000 0.832 638 D CB 0.113 40.920 40.800 0.013 0.000 0.992 638 D HN 0.481 nan 8.370 nan 0.000 0.502 639 R N -0.468 120.027 120.500 -0.008 0.000 2.148 639 R HA 0.109 4.441 4.340 -0.014 0.000 0.227 639 R C 0.147 176.414 176.300 -0.054 0.000 1.103 639 R CA 0.660 56.736 56.100 -0.039 0.000 0.983 639 R CB 0.079 30.344 30.300 -0.058 0.000 0.874 639 R HN 0.153 nan 8.270 nan 0.000 0.451 640 L N -0.128 121.075 121.223 -0.034 0.000 2.464 640 L HA 0.488 4.820 4.340 -0.014 0.000 0.266 640 L C -1.568 175.275 176.870 -0.045 0.000 0.965 640 L CA -0.722 54.092 54.840 -0.044 0.000 0.833 640 L CB 1.957 44.003 42.059 -0.021 0.000 1.296 640 L HN -0.237 nan 8.230 nan 0.000 0.405 641 R N 2.506 122.964 120.500 -0.070 0.000 2.686 641 R HA 0.855 5.187 4.340 -0.014 0.000 0.283 641 R C -1.669 174.567 176.300 -0.106 0.000 0.978 641 R CA -0.564 55.484 56.100 -0.086 0.000 0.897 641 R CB 2.512 32.765 30.300 -0.078 0.000 1.192 641 R HN 0.423 nan 8.270 nan 0.000 0.457 642 V N 4.798 124.643 119.914 -0.115 0.000 2.409 642 V HA 0.534 4.646 4.120 -0.014 0.000 0.291 642 V C -0.502 175.535 176.094 -0.096 0.000 1.020 642 V CA -0.706 61.528 62.300 -0.110 0.000 0.848 642 V CB 1.714 33.465 31.823 -0.121 0.000 0.990 642 V HN 0.545 nan 8.190 nan 0.000 0.430 643 I N 4.904 125.420 120.570 -0.091 0.000 2.418 643 I HA 0.372 4.533 4.170 -0.014 0.000 0.287 643 I C -0.558 175.525 176.117 -0.056 0.000 1.008 643 I CA -0.468 60.785 61.300 -0.078 0.000 1.104 643 I CB 1.661 39.592 38.000 -0.115 0.000 1.264 643 I HN 0.554 nan 8.210 nan 0.000 0.438 644 F N 7.327 127.204 119.950 -0.121 0.000 2.420 644 F HA 0.344 4.863 4.527 -0.013 0.000 0.352 644 F C -0.248 175.484 175.800 -0.114 0.000 1.108 644 F CA -0.446 57.486 58.000 -0.114 0.000 1.162 644 F CB 0.840 39.772 39.000 -0.114 0.000 1.118 644 F HN 0.243 nan 8.300 nan 0.000 0.510 645 L N 6.363 127.135 121.223 -0.752 0.000 2.282 645 L HA 0.229 4.561 4.340 -0.014 0.000 0.287 645 L C 0.065 176.679 176.870 -0.427 0.000 1.075 645 L CA 0.015 54.583 54.840 -0.453 0.000 0.839 645 L CB 0.387 42.254 42.059 -0.321 0.000 1.219 645 L HN 0.606 nan 8.230 nan 0.000 0.434 646 E N 3.035 123.090 120.200 -0.242 0.000 2.373 646 E HA -0.013 4.329 4.350 -0.014 0.000 0.267 646 E C 0.390 177.014 176.600 0.041 0.000 1.032 646 E CA -0.250 56.119 56.400 -0.051 0.000 0.889 646 E CB 0.345 29.928 29.700 -0.194 0.000 0.984 646 E HN 0.533 nan 8.360 nan 0.000 0.425 647 N N 2.611 121.410 118.700 0.165 0.000 2.705 647 N HA -0.283 4.449 4.740 -0.014 0.000 0.255 647 N C -1.479 174.128 175.510 0.161 0.000 1.008 647 N CA 0.488 53.647 53.050 0.181 0.000 0.742 647 N CB -1.283 37.331 38.487 0.211 0.000 0.906 647 N HN 0.429 nan 8.380 nan 0.000 0.541 648 Y N 1.459 121.775 120.300 0.026 0.000 2.712 648 Y HA 0.153 4.695 4.550 -0.014 0.000 0.333 648 Y C 1.256 177.169 175.900 0.022 0.000 1.225 648 Y CA 0.753 58.851 58.100 -0.003 0.000 1.499 648 Y CB 0.335 38.771 38.460 -0.040 0.000 1.288 648 Y HN 0.463 nan 8.280 nan 0.000 0.575 649 R N 1.676 121.724 120.500 -0.754 0.000 2.855 649 R HA 0.325 4.657 4.340 -0.014 0.000 0.274 649 R C -0.433 175.459 176.300 -0.680 0.000 0.997 649 R CA -0.451 55.301 56.100 -0.580 0.000 0.856 649 R CB -0.034 30.165 30.300 -0.169 0.000 1.378 649 R HN 0.298 nan 8.270 nan 0.000 0.462 650 V N 1.108 120.654 119.914 -0.614 0.000 2.282 650 V HA -0.282 3.829 4.120 -0.014 0.000 0.249 650 V C 2.520 178.457 176.094 -0.263 0.000 1.057 650 V CA 2.823 64.876 62.300 -0.413 0.000 1.032 650 V CB -0.838 30.735 31.823 -0.416 0.000 0.645 650 V HN 0.887 nan 8.190 nan 0.000 0.447 651 S N -0.152 115.423 115.700 -0.208 0.000 2.428 651 S HA -0.106 4.356 4.470 -0.014 0.000 0.230 651 S C 1.865 176.385 174.600 -0.134 0.000 1.014 651 S CA 1.334 59.436 58.200 -0.163 0.000 0.957 651 S CB -0.379 62.754 63.200 -0.111 0.000 0.784 651 S HN 0.400 nan 8.310 nan 0.000 0.499 652 L N 1.927 123.080 121.223 -0.118 0.000 2.131 652 L HA 0.372 4.703 4.340 -0.014 0.000 0.206 652 L C 2.612 179.457 176.870 -0.042 0.000 1.087 652 L CA 1.414 56.228 54.840 -0.044 0.000 0.767 652 L CB -1.207 40.890 42.059 0.064 0.000 0.917 652 L HN 0.324 nan 8.230 nan 0.000 0.441 653 A N -0.705 122.068 122.820 -0.078 0.000 1.972 653 A HA -0.207 4.104 4.320 -0.014 0.000 0.219 653 A C 2.094 179.717 177.584 0.065 0.000 1.169 653 A CA 1.688 53.758 52.037 0.055 0.000 0.635 653 A CB -0.575 18.484 19.000 0.098 0.000 0.810 653 A HN 0.611 nan 8.150 nan 0.000 0.446 654 E N -0.379 119.819 120.200 -0.004 0.000 2.268 654 E HA -0.154 4.188 4.350 -0.014 0.000 0.195 654 E C 1.859 178.391 176.600 -0.113 0.000 0.995 654 E CA 1.108 57.461 56.400 -0.078 0.000 0.836 654 E CB -0.045 29.523 29.700 -0.221 0.000 0.763 654 E HN 0.619 nan 8.360 nan 0.000 0.491 655 K N 0.144 120.456 120.400 -0.146 0.000 2.029 655 K HA -0.045 4.266 4.320 -0.014 0.000 0.205 655 K C 2.187 178.550 176.600 -0.395 0.000 1.042 655 K CA 0.922 57.103 56.287 -0.178 0.000 0.949 655 K CB 0.085 32.491 32.500 -0.158 0.000 0.740 655 K HN -0.066 nan 8.250 nan 0.000 0.442 656 V N 1.908 121.481 119.914 -0.569 0.000 2.237 656 V HA -0.265 3.846 4.120 -0.014 0.000 0.245 656 V C 2.235 178.047 176.094 -0.470 0.000 1.046 656 V CA 1.760 63.581 62.300 -0.798 0.000 1.007 656 V CB -0.660 30.899 31.823 -0.439 0.000 0.638 656 V HN 0.266 nan 8.190 nan 0.000 0.445 657 I N 0.405 120.722 120.570 -0.422 0.000 2.315 657 I HA -0.187 3.974 4.170 -0.014 0.000 0.251 657 I C -0.195 175.764 176.117 -0.264 0.000 1.125 657 I CA 1.714 62.672 61.300 -0.570 0.000 1.392 657 I CB -1.339 36.238 38.000 -0.705 0.000 1.065 657 I HN 0.359 nan 8.210 nan 0.000 0.424 658 P HA -0.094 nan 4.420 nan 0.000 0.221 658 P C 1.145 178.410 177.300 -0.058 0.000 1.150 658 P CA 1.270 64.320 63.100 -0.083 0.000 0.800 658 P CB 0.096 31.757 31.700 -0.065 0.000 0.787 659 A N -1.009 121.755 122.820 -0.094 0.000 2.218 659 A HA 0.418 4.730 4.320 -0.014 0.000 0.209 659 A C 1.158 178.779 177.584 0.061 0.000 1.168 659 A CA 0.125 52.144 52.037 -0.031 0.000 0.804 659 A CB -0.811 18.189 19.000 -0.001 0.000 0.834 659 A HN 0.181 nan 8.150 nan 0.000 0.482 660 A N 0.026 122.906 122.820 0.100 0.000 2.401 660 A HA 0.443 4.755 4.320 -0.014 0.000 0.259 660 A C 0.404 178.120 177.584 0.219 0.000 1.103 660 A CA -0.110 52.070 52.037 0.238 0.000 0.789 660 A CB 0.302 19.561 19.000 0.433 0.000 1.035 660 A HN 0.329 nan 8.150 nan 0.000 0.491 661 D N 0.832 121.372 120.400 0.233 0.000 2.431 661 D HA 0.135 4.767 4.640 -0.014 0.000 0.235 661 D C 0.152 176.693 176.300 0.401 0.000 0.980 661 D CA 0.688 54.901 54.000 0.355 0.000 0.912 661 D CB 0.290 41.191 40.800 0.169 0.000 1.056 661 D HN 0.391 nan 8.370 nan 0.000 0.494 662 L N 0.761 122.105 121.223 0.202 0.000 2.365 662 L HA 0.321 4.652 4.340 -0.014 0.000 0.273 662 L C -0.885 175.889 176.870 -0.159 0.000 1.000 662 L CA -0.389 54.493 54.840 0.070 0.000 0.819 662 L CB 2.300 44.390 42.059 0.052 0.000 1.284 662 L HN -0.168 nan 8.230 nan 0.000 0.418 663 S N 3.442 118.928 115.700 -0.358 0.000 2.474 663 S HA 0.348 4.809 4.470 -0.014 0.000 0.321 663 S C -0.569 173.738 174.600 -0.488 0.000 1.080 663 S CA -0.713 57.018 58.200 -0.782 0.000 1.106 663 S CB 0.921 63.462 63.200 -1.099 0.000 0.984 663 S HN 0.548 nan 8.310 nan 0.000 0.464 664 E N 3.993 123.958 120.200 -0.392 0.000 2.052 664 E HA 0.178 4.520 4.350 -0.014 0.000 0.283 664 E C -0.482 176.009 176.600 -0.182 0.000 1.071 664 E CA -0.296 55.981 56.400 -0.205 0.000 0.851 664 E CB 0.860 30.476 29.700 -0.140 0.000 1.066 664 E HN 0.582 nan 8.360 nan 0.000 0.396 665 Q N 2.913 122.650 119.800 -0.106 0.000 2.815 665 Q HA 0.255 4.587 4.340 -0.014 0.000 0.329 665 Q C 0.199 176.203 176.000 0.006 0.000 1.037 665 Q CA -0.363 55.401 55.803 -0.065 0.000 1.002 665 Q CB 0.363 29.073 28.738 -0.046 0.000 1.274 665 Q HN 0.437 nan 8.270 nan 0.000 0.452 666 I N 0.775 121.334 120.570 -0.019 0.000 3.864 666 I HA -0.017 4.144 4.170 -0.014 0.000 0.326 666 I C 0.339 176.428 176.117 -0.046 0.000 1.444 666 I CA 0.250 61.559 61.300 0.015 0.000 1.195 666 I CB 0.190 38.143 38.000 -0.077 0.000 1.124 666 I HN 0.096 nan 8.210 nan 0.000 0.407 667 S N -1.349 114.318 115.700 -0.055 0.000 2.614 667 S HA 0.300 4.761 4.470 -0.014 0.000 0.265 667 S C 0.524 175.102 174.600 -0.036 0.000 1.303 667 S CA -0.706 57.465 58.200 -0.049 0.000 1.000 667 S CB 0.286 63.497 63.200 0.019 0.000 0.935 667 S HN 0.257 nan 8.310 nan 0.000 0.551 668 T N 2.267 116.821 114.554 0.001 0.000 2.888 668 T HA 0.433 4.774 4.350 -0.014 0.000 0.301 668 T C 0.643 175.336 174.700 -0.011 0.000 1.001 668 T CA -0.029 62.075 62.100 0.008 0.000 1.147 668 T CB 0.162 69.094 68.868 0.106 0.000 0.931 668 T HN 0.902 nan 8.240 nan 0.000 0.541 669 A N 2.533 125.321 122.820 -0.054 0.000 2.540 669 A HA 0.491 4.803 4.320 -0.014 0.000 0.239 669 A C 1.605 179.170 177.584 -0.033 0.000 1.061 669 A CA 0.235 52.238 52.037 -0.055 0.000 0.758 669 A CB -0.751 18.203 19.000 -0.078 0.000 0.991 669 A HN 1.685 nan 8.150 nan 0.000 0.502 670 G N 1.106 109.886 108.800 -0.034 0.000 2.157 670 G HA2 -0.252 3.700 3.960 -0.014 0.000 0.239 670 G HA3 -0.252 3.700 3.960 -0.014 0.000 0.239 670 G C 0.802 175.676 174.900 -0.043 0.000 0.982 670 G CA 1.286 46.367 45.100 -0.033 0.000 0.650 670 G HN 1.927 nan 8.290 nan 0.000 0.527 671 T N -2.386 112.134 114.554 -0.057 0.000 3.045 671 T HA 0.384 4.726 4.350 -0.014 0.000 0.239 671 T C 0.833 175.374 174.700 -0.266 0.000 1.008 671 T CA 1.016 63.008 62.100 -0.179 0.000 1.143 671 T CB 0.360 69.134 68.868 -0.156 0.000 0.894 671 T HN 0.317 nan 8.240 nan 0.000 0.451 672 E N 1.535 121.682 120.200 -0.087 0.000 2.257 672 E HA 0.584 4.925 4.350 -0.014 0.000 0.278 672 E C 1.072 177.623 176.600 -0.083 0.000 1.049 672 E CA 0.231 56.621 56.400 -0.016 0.000 0.876 672 E CB 0.949 30.704 29.700 0.091 0.000 1.035 672 E HN 0.393 nan 8.360 nan 0.000 0.419 673 A N 3.407 126.124 122.820 -0.172 0.000 1.933 673 A HA -0.114 4.197 4.320 -0.014 0.000 0.218 673 A C 1.897 179.374 177.584 -0.180 0.000 1.175 673 A CA 1.872 53.719 52.037 -0.316 0.000 0.628 673 A CB -0.129 18.434 19.000 -0.727 0.000 0.814 673 A HN 0.603 nan 8.150 nan 0.000 0.444 674 S N -3.770 111.866 115.700 -0.107 0.000 4.471 674 S HA 0.449 4.911 4.470 -0.014 0.000 0.191 674 S C 0.659 175.244 174.600 -0.025 0.000 1.128 674 S CA 1.430 59.605 58.200 -0.042 0.000 1.153 674 S CB -0.176 63.011 63.200 -0.021 0.000 1.583 674 S HN 2.206 nan 8.310 nan 0.000 0.590 675 G N 0.469 109.259 108.800 -0.016 0.000 2.722 675 G HA2 -0.068 3.884 3.960 -0.014 0.000 0.686 675 G HA3 -0.068 3.884 3.960 -0.014 0.000 0.686 675 G C 0.228 175.112 174.900 -0.025 0.000 1.282 675 G CA 0.470 45.562 45.100 -0.014 0.000 0.817 675 G HN 1.351 nan 8.290 nan 0.000 0.605 676 T N -1.473 113.055 114.554 -0.044 0.000 2.969 676 T HA 0.404 4.745 4.350 -0.014 0.000 0.258 676 T C 2.306 176.919 174.700 -0.146 0.000 0.962 676 T CA 1.167 63.218 62.100 -0.082 0.000 0.903 676 T CB 0.582 69.403 68.868 -0.077 0.000 1.177 676 T HN 1.803 nan 8.240 nan 0.000 0.511 677 G N 3.175 111.916 108.800 -0.098 0.000 2.422 677 G HA2 -0.243 3.708 3.960 -0.014 0.000 0.218 677 G HA3 -0.243 3.708 3.960 -0.014 0.000 0.218 677 G C 1.474 176.440 174.900 0.111 0.000 1.146 677 G CA 1.080 46.154 45.100 -0.044 0.000 0.769 677 G HN 0.800 nan 8.290 nan 0.000 0.547 678 N N 0.266 118.983 118.700 0.028 0.000 2.094 678 N HA -0.173 4.559 4.740 -0.014 0.000 0.191 678 N C 2.223 177.716 175.510 -0.027 0.000 1.023 678 N CA 1.486 54.533 53.050 -0.005 0.000 0.857 678 N CB -0.380 38.072 38.487 -0.058 0.000 1.013 678 N HN 0.358 nan 8.380 nan 0.000 0.426 679 M N 0.736 120.275 119.600 -0.101 0.000 2.200 679 M HA -0.012 4.460 4.480 -0.014 0.000 0.265 679 M C 1.960 178.229 176.300 -0.052 0.000 1.066 679 M CA 1.401 56.627 55.300 -0.124 0.000 1.127 679 M CB -0.121 32.426 32.600 -0.089 0.000 1.379 679 M HN 0.096 nan 8.290 nan 0.000 0.420 680 K N 0.089 120.410 120.400 -0.132 0.000 2.097 680 K HA -0.095 4.216 4.320 -0.014 0.000 0.206 680 K C 1.670 178.223 176.600 -0.077 0.000 1.049 680 K CA 1.316 57.482 56.287 -0.203 0.000 0.933 680 K CB -0.243 31.920 32.500 -0.562 0.000 0.717 680 K HN 0.159 nan 8.250 nan 0.000 0.442 681 F N 0.963 120.836 119.950 -0.128 0.000 2.206 681 F HA -0.050 4.468 4.527 -0.015 0.000 0.298 681 F C 2.483 178.240 175.800 -0.072 0.000 1.090 681 F CA 1.034 58.979 58.000 -0.091 0.000 1.323 681 F CB -0.155 38.780 39.000 -0.108 0.000 1.028 681 F HN -0.024 nan 8.300 nan 0.000 0.492 682 M N 0.315 119.984 119.600 0.116 0.000 2.132 682 M HA -0.148 4.323 4.480 -0.014 0.000 0.263 682 M C 1.555 177.895 176.300 0.067 0.000 1.065 682 M CA 1.613 56.943 55.300 0.049 0.000 1.122 682 M CB -0.094 32.515 32.600 0.015 0.000 1.365 682 M HN 0.162 nan 8.290 nan 0.000 0.411 683 L N -1.510 119.760 121.223 0.078 0.000 2.599 683 L HA 0.144 4.475 4.340 -0.014 0.000 0.230 683 L C 0.912 177.821 176.870 0.065 0.000 1.141 683 L CA 0.884 55.774 54.840 0.084 0.000 0.877 683 L CB -1.588 40.538 42.059 0.110 0.000 1.009 683 L HN 0.255 nan 8.230 nan 0.000 0.447 684 N N 0.942 119.675 118.700 0.056 0.000 2.238 684 N HA 0.204 4.936 4.740 -0.014 0.000 0.222 684 N C 0.926 176.464 175.510 0.046 0.000 1.133 684 N CA 0.760 53.834 53.050 0.040 0.000 0.854 684 N CB 0.756 39.250 38.487 0.012 0.000 1.041 684 N HN 0.505 nan 8.380 nan 0.000 0.510 685 G N 0.777 109.606 108.800 0.048 0.000 2.256 685 G HA2 -0.194 3.757 3.960 -0.014 0.000 0.272 685 G HA3 -0.194 3.757 3.960 -0.014 0.000 0.272 685 G C -0.007 174.944 174.900 0.086 0.000 1.076 685 G CA 0.327 45.453 45.100 0.044 0.000 0.882 685 G HN 0.535 nan 8.290 nan 0.000 0.497 686 A N -0.908 121.966 122.820 0.090 0.000 2.322 686 A HA 0.934 5.246 4.320 -0.014 0.000 0.327 686 A C -0.463 177.083 177.584 -0.063 0.000 1.134 686 A CA -0.769 51.332 52.037 0.107 0.000 0.831 686 A CB 1.615 20.745 19.000 0.216 0.000 1.288 686 A HN 0.937 nan 8.150 nan 0.000 0.472 687 L N 0.611 121.732 121.223 -0.169 0.000 2.329 687 L HA 0.533 4.865 4.340 -0.014 0.000 0.279 687 L C 0.267 176.947 176.870 -0.317 0.000 1.014 687 L CA 0.278 54.912 54.840 -0.344 0.000 0.814 687 L CB 1.849 43.532 42.059 -0.626 0.000 1.257 687 L HN 0.758 nan 8.230 nan 0.000 0.424 688 T N 4.646 118.881 114.554 -0.531 0.000 2.817 688 T HA 0.449 4.790 4.350 -0.014 0.000 0.293 688 T C -0.005 174.490 174.700 -0.341 0.000 0.964 688 T CA -0.022 61.726 62.100 -0.588 0.000 1.085 688 T CB 0.641 68.871 68.868 -1.064 0.000 0.921 688 T HN 0.456 nan 8.240 nan 0.000 0.502 689 I N 2.810 123.299 120.570 -0.134 0.000 2.330 689 I HA 0.665 4.826 4.170 -0.014 0.000 0.289 689 I C 0.135 176.364 176.117 0.186 0.000 1.001 689 I CA 0.101 61.438 61.300 0.062 0.000 1.193 689 I CB 0.153 38.116 38.000 -0.063 0.000 1.345 689 I HN 0.780 nan 8.210 nan 0.000 0.461 690 G N 3.987 113.012 108.800 0.374 0.000 2.673 690 G HA2 0.422 4.374 3.960 -0.014 0.000 0.292 690 G HA3 0.422 4.374 3.960 -0.014 0.000 0.292 690 G C -0.813 174.176 174.900 0.148 0.000 1.450 690 G CA -0.468 44.822 45.100 0.316 0.000 0.837 690 G HN 0.587 nan 8.290 nan 0.000 0.505 691 T N -1.568 112.922 114.554 -0.107 0.000 2.813 691 T HA 0.436 4.778 4.350 -0.014 0.000 0.297 691 T C 0.643 175.259 174.700 -0.139 0.000 1.036 691 T CA -0.306 61.604 62.100 -0.315 0.000 1.044 691 T CB 1.078 69.759 68.868 -0.313 0.000 0.993 691 T HN 0.383 nan 8.240 nan 0.000 0.535 692 M N 2.787 122.296 119.600 -0.152 0.000 2.974 692 M HA 0.369 4.841 4.480 -0.014 0.000 0.301 692 M C -0.859 175.386 176.300 -0.092 0.000 1.409 692 M CA -0.286 54.947 55.300 -0.111 0.000 1.515 692 M CB -1.474 31.062 32.600 -0.107 0.000 1.163 692 M HN 0.739 nan 8.290 nan 0.000 0.520 693 D N 1.488 121.844 120.400 -0.073 0.000 2.552 693 D HA 0.764 5.395 4.640 -0.014 0.000 0.239 693 D C 0.549 176.825 176.300 -0.041 0.000 1.139 693 D CA 0.758 54.727 54.000 -0.052 0.000 0.914 693 D CB 1.473 42.247 40.800 -0.043 0.000 1.461 693 D HN 0.589 nan 8.370 nan 0.000 0.462 694 G N 0.823 109.607 108.800 -0.027 0.000 2.602 694 G HA2 -0.203 3.749 3.960 -0.014 0.000 0.306 694 G HA3 -0.203 3.749 3.960 -0.014 0.000 0.306 694 G C 0.929 175.816 174.900 -0.022 0.000 1.301 694 G CA 1.155 46.242 45.100 -0.022 0.000 0.974 694 G HN 1.089 nan 8.290 nan 0.000 0.547 695 A N -0.309 122.495 122.820 -0.026 0.000 2.238 695 A HA 0.159 4.470 4.320 -0.014 0.000 0.208 695 A C 2.077 179.599 177.584 -0.102 0.000 1.177 695 A CA 1.553 53.573 52.037 -0.029 0.000 0.804 695 A CB -0.391 18.598 19.000 -0.018 0.000 0.823 695 A HN 0.601 nan 8.150 nan 0.000 0.482 696 N N 0.636 119.283 118.700 -0.088 0.000 2.137 696 N HA -0.165 4.567 4.740 -0.014 0.000 0.190 696 N C 1.615 176.944 175.510 -0.302 0.000 1.017 696 N CA 1.657 54.646 53.050 -0.101 0.000 0.859 696 N CB -0.571 37.924 38.487 0.012 0.000 1.002 696 N HN 0.310 nan 8.380 nan 0.000 0.428 697 V N 1.252 121.051 119.914 -0.191 0.000 2.295 697 V HA -0.200 3.912 4.120 -0.014 0.000 0.246 697 V C 1.965 177.956 176.094 -0.171 0.000 1.049 697 V CA 1.674 63.860 62.300 -0.190 0.000 1.024 697 V CB -0.477 31.285 31.823 -0.103 0.000 0.648 697 V HN 0.340 nan 8.190 nan 0.000 0.447 698 E N -0.726 119.435 120.200 -0.065 0.000 2.216 698 E HA -0.084 4.258 4.350 -0.014 0.000 0.192 698 E C 2.188 178.879 176.600 0.153 0.000 0.988 698 E CA 0.833 57.275 56.400 0.070 0.000 0.834 698 E CB -0.115 29.719 29.700 0.223 0.000 0.772 698 E HN 0.553 nan 8.360 nan 0.000 0.479 699 M N 0.336 119.901 119.600 -0.059 0.000 2.098 699 M HA -0.085 4.386 4.480 -0.014 0.000 0.262 699 M C 2.533 178.680 176.300 -0.255 0.000 1.072 699 M CA 1.381 56.612 55.300 -0.115 0.000 1.133 699 M CB -0.182 32.247 32.600 -0.285 0.000 1.344 699 M HN 0.132 nan 8.290 nan 0.000 0.414 700 A N 0.054 122.362 122.820 -0.854 0.000 1.940 700 A HA -0.239 4.073 4.320 -0.014 0.000 0.219 700 A C 1.987 179.399 177.584 -0.287 0.000 1.176 700 A CA 2.086 53.620 52.037 -0.840 0.000 0.631 700 A CB -0.870 17.547 19.000 -0.971 0.000 0.814 700 A HN 0.603 nan 8.150 nan 0.000 0.446 701 E N -0.791 119.287 120.200 -0.203 0.000 2.106 701 E HA -0.228 4.113 4.350 -0.014 0.000 0.192 701 E C 1.893 178.475 176.600 -0.030 0.000 0.984 701 E CA 1.339 57.684 56.400 -0.092 0.000 0.806 701 E CB -0.049 29.610 29.700 -0.069 0.000 0.750 701 E HN 0.574 nan 8.360 nan 0.000 0.458 702 E N -0.044 120.172 120.200 0.027 0.000 2.076 702 E HA -0.013 4.329 4.350 -0.014 0.000 0.190 702 E C 1.551 178.188 176.600 0.062 0.000 0.979 702 E CA 1.255 57.698 56.400 0.071 0.000 0.807 702 E CB -0.043 29.778 29.700 0.201 0.000 0.761 702 E HN 0.317 nan 8.360 nan 0.000 0.454 703 A N -0.564 122.299 122.820 0.071 0.000 2.081 703 A HA 0.454 4.765 4.320 -0.014 0.000 0.214 703 A C 0.920 178.520 177.584 0.025 0.000 1.158 703 A CA 0.837 52.915 52.037 0.069 0.000 0.724 703 A CB -0.165 18.913 19.000 0.129 0.000 0.826 703 A HN 0.293 nan 8.150 nan 0.000 0.463 704 G N -0.525 108.273 108.800 -0.003 0.000 3.067 704 G HA2 -0.087 3.865 3.960 -0.014 0.000 0.686 704 G HA3 -0.087 3.865 3.960 -0.014 0.000 0.686 704 G C 0.035 174.919 174.900 -0.027 0.000 1.119 704 G CA 0.001 45.087 45.100 -0.023 0.000 0.790 704 G HN 0.156 nan 8.290 nan 0.000 0.605 705 E N 0.985 121.156 120.200 -0.048 0.000 2.171 705 E HA -0.215 4.126 4.350 -0.014 0.000 0.197 705 E C 2.158 178.747 176.600 -0.018 0.000 0.997 705 E CA 1.963 58.341 56.400 -0.036 0.000 0.810 705 E CB 0.107 29.783 29.700 -0.040 0.000 0.738 705 E HN 0.787 nan 8.360 nan 0.000 0.467 706 E N 0.751 120.928 120.200 -0.038 0.000 2.153 706 E HA -0.134 4.208 4.350 -0.014 0.000 0.194 706 E C 1.451 177.967 176.600 -0.139 0.000 0.988 706 E CA 0.808 57.168 56.400 -0.068 0.000 0.811 706 E CB -0.161 29.507 29.700 -0.054 0.000 0.746 706 E HN 0.205 nan 8.360 nan 0.000 0.466 707 N N -0.580 118.056 118.700 -0.108 0.000 2.412 707 N HA 0.040 4.772 4.740 -0.014 0.000 0.184 707 N C -0.375 175.002 175.510 -0.222 0.000 1.101 707 N CA 0.227 53.174 53.050 -0.171 0.000 0.881 707 N CB 0.232 38.671 38.487 -0.079 0.000 0.969 707 N HN 0.092 nan 8.380 nan 0.000 0.459 708 F N -0.285 119.472 119.950 -0.321 0.000 2.497 708 F HA 0.365 4.883 4.527 -0.015 0.000 0.331 708 F C -0.293 175.308 175.800 -0.331 0.000 1.060 708 F CA -0.969 56.864 58.000 -0.278 0.000 0.989 708 F CB 0.961 39.883 39.000 -0.131 0.000 1.245 708 F HN -0.241 nan 8.300 nan 0.000 0.486 709 F N 4.682 124.634 119.950 0.004 0.000 2.366 709 F HA 0.332 4.851 4.527 -0.013 0.000 0.328 709 F C -0.255 175.680 175.800 0.225 0.000 1.180 709 F CA -0.668 57.372 58.000 0.066 0.000 1.232 709 F CB -0.298 38.673 39.000 -0.048 0.000 1.513 709 F HN -0.004 nan 8.300 nan 0.000 0.540 710 I N 2.759 123.583 120.570 0.425 0.000 2.696 710 I HA 0.169 4.331 4.170 -0.014 0.000 0.284 710 I C 0.145 176.469 176.117 0.344 0.000 1.129 710 I CA -0.029 61.470 61.300 0.332 0.000 1.410 710 I CB 0.190 38.289 38.000 0.166 0.000 1.399 710 I HN 0.312 nan 8.210 nan 0.000 0.579 711 F N 2.025 122.044 119.950 0.115 0.000 2.923 711 F HA 0.846 5.364 4.527 -0.014 0.000 0.323 711 F C 0.093 175.935 175.800 0.071 0.000 1.189 711 F CA -0.577 57.477 58.000 0.090 0.000 0.930 711 F CB 0.654 39.713 39.000 0.098 0.000 1.414 711 F HN 0.788 nan 8.300 nan 0.000 0.496 712 G N 0.524 109.218 108.800 -0.176 0.000 2.829 712 G HA2 -0.119 3.832 3.960 -0.014 0.000 0.628 712 G HA3 -0.119 3.832 3.960 -0.014 0.000 0.628 712 G C -0.796 174.011 174.900 -0.154 0.000 1.412 712 G CA -0.426 44.510 45.100 -0.275 0.000 0.864 712 G HN 1.195 nan 8.290 nan 0.000 0.544 713 M N 0.174 119.710 119.600 -0.107 0.000 2.252 713 M HA 0.436 4.908 4.480 -0.014 0.000 0.348 713 M C 1.037 177.283 176.300 -0.090 0.000 1.334 713 M CA 0.003 55.269 55.300 -0.056 0.000 1.071 713 M CB 0.336 32.919 32.600 -0.028 0.000 1.763 713 M HN 0.664 nan 8.290 nan 0.000 0.452 714 R N 2.289 122.753 120.500 -0.060 0.000 2.574 714 R HA 0.210 4.541 4.340 -0.014 0.000 0.266 714 R C 0.814 177.085 176.300 -0.050 0.000 1.157 714 R CA -0.261 55.801 56.100 -0.062 0.000 1.187 714 R CB 0.305 30.578 30.300 -0.045 0.000 1.179 714 R HN 0.708 nan 8.270 nan 0.000 0.600 715 V N 0.838 120.724 119.914 -0.047 0.000 2.358 715 V HA -0.158 3.954 4.120 -0.014 0.000 0.246 715 V C 1.976 178.052 176.094 -0.029 0.000 1.047 715 V CA 2.101 64.377 62.300 -0.040 0.000 1.035 715 V CB -0.383 31.413 31.823 -0.044 0.000 0.658 715 V HN 0.790 nan 8.190 nan 0.000 0.452 716 E N 0.112 120.297 120.200 -0.026 0.000 2.114 716 E HA -0.321 4.021 4.350 -0.014 0.000 0.199 716 E C 1.750 178.349 176.600 -0.003 0.000 1.008 716 E CA 2.177 58.568 56.400 -0.015 0.000 0.810 716 E CB -0.241 29.451 29.700 -0.014 0.000 0.739 716 E HN 0.761 nan 8.360 nan 0.000 0.456 717 D N -0.119 120.281 120.400 0.001 0.000 2.219 717 D HA -0.108 4.523 4.640 -0.014 0.000 0.205 717 D C 2.085 178.397 176.300 0.020 0.000 0.970 717 D CA 0.664 54.675 54.000 0.018 0.000 0.851 717 D CB -0.213 40.599 40.800 0.022 0.000 0.943 717 D HN 0.143 nan 8.370 nan 0.000 0.488 718 V N 1.689 121.601 119.914 -0.003 0.000 2.323 718 V HA -0.175 3.937 4.120 -0.014 0.000 0.244 718 V C 1.838 177.929 176.094 -0.005 0.000 1.041 718 V CA 1.647 63.939 62.300 -0.013 0.000 1.025 718 V CB -0.384 31.420 31.823 -0.032 0.000 0.656 718 V HN 0.048 nan 8.190 nan 0.000 0.451 719 D N 0.143 120.539 120.400 -0.007 0.000 2.117 719 D HA -0.162 4.469 4.640 -0.014 0.000 0.197 719 D C 2.331 178.640 176.300 0.015 0.000 0.987 719 D CA 1.175 55.174 54.000 -0.002 0.000 0.829 719 D CB -0.324 40.471 40.800 -0.009 0.000 0.961 719 D HN 0.329 nan 8.370 nan 0.000 0.460 720 R N -0.109 120.404 120.500 0.022 0.000 2.103 720 R HA -0.137 4.195 4.340 -0.014 0.000 0.242 720 R C 2.197 178.532 176.300 0.058 0.000 1.142 720 R CA 0.688 56.810 56.100 0.036 0.000 0.960 720 R CB -0.401 29.923 30.300 0.039 0.000 0.858 720 R HN 0.121 nan 8.270 nan 0.000 0.439 721 L N 0.988 122.256 121.223 0.075 0.000 2.201 721 L HA -0.124 4.208 4.340 -0.014 0.000 0.212 721 L C 1.140 178.080 176.870 0.116 0.000 1.105 721 L CA 1.841 56.756 54.840 0.125 0.000 0.775 721 L CB -0.289 41.865 42.059 0.158 0.000 0.913 721 L HN 0.087 nan 8.230 nan 0.000 0.440 722 D N -1.265 119.174 120.400 0.065 0.000 2.194 722 D HA -0.110 4.522 4.640 -0.014 0.000 0.204 722 D C 2.076 178.405 176.300 0.048 0.000 0.964 722 D CA 0.577 54.609 54.000 0.052 0.000 0.846 722 D CB 0.138 40.947 40.800 0.015 0.000 0.962 722 D HN 0.380 nan 8.370 nan 0.000 0.490 723 Q N 0.602 120.427 119.800 0.040 0.000 2.084 723 Q HA -0.128 4.204 4.340 -0.014 0.000 0.202 723 Q C 2.193 178.218 176.000 0.041 0.000 0.978 723 Q CA 0.892 56.714 55.803 0.033 0.000 0.844 723 Q CB -0.344 28.410 28.738 0.027 0.000 0.898 723 Q HN 0.317 nan 8.270 nan 0.000 0.426 724 R N 0.184 120.717 120.500 0.055 0.000 2.062 724 R HA -0.007 4.324 4.340 -0.014 0.000 0.229 724 R C 0.003 176.343 176.300 0.067 0.000 1.128 724 R CA 1.231 57.367 56.100 0.059 0.000 0.960 724 R CB 0.027 30.372 30.300 0.073 0.000 0.855 724 R HN 0.350 nan 8.270 nan 0.000 0.432 725 G N 0.148 109.004 108.800 0.094 0.000 3.434 725 G HA2 -0.252 3.700 3.960 -0.014 0.000 0.686 725 G HA3 -0.252 3.700 3.960 -0.014 0.000 0.686 725 G C -1.217 173.780 174.900 0.162 0.000 1.099 725 G CA -0.271 44.894 45.100 0.108 0.000 0.931 725 G HN 0.350 nan 8.290 nan 0.000 0.520 726 Y N 2.984 123.321 120.300 0.061 0.000 2.465 726 Y HA 0.562 5.104 4.550 -0.014 0.000 0.331 726 Y C 0.280 176.244 175.900 0.108 0.000 1.102 726 Y CA -0.694 57.467 58.100 0.101 0.000 1.358 726 Y CB 1.193 39.690 38.460 0.061 0.000 1.213 726 Y HN 0.726 nan 8.280 nan 0.000 0.525 727 N N 4.601 123.104 118.700 -0.329 0.000 2.531 727 N HA 0.369 5.100 4.740 -0.014 0.000 0.268 727 N C -0.131 175.165 175.510 -0.357 0.000 1.023 727 N CA 0.074 52.953 53.050 -0.284 0.000 0.896 727 N CB 1.336 39.760 38.487 -0.106 0.000 1.233 727 N HN 0.713 nan 8.380 nan 0.000 0.512 728 A N 2.726 125.268 122.820 -0.463 0.000 2.121 728 A HA -0.129 4.183 4.320 -0.014 0.000 0.218 728 A C 1.787 179.495 177.584 0.208 0.000 1.154 728 A CA 1.189 53.179 52.037 -0.079 0.000 0.679 728 A CB -0.334 18.583 19.000 -0.138 0.000 0.795 728 A HN 0.727 nan 8.150 nan 0.000 0.458 729 Q N 0.456 120.284 119.800 0.047 0.000 2.167 729 Q HA -0.175 4.157 4.340 -0.014 0.000 0.202 729 Q C 1.822 177.885 176.000 0.105 0.000 0.970 729 Q CA 1.994 57.829 55.803 0.054 0.000 0.855 729 Q CB -0.329 28.405 28.738 -0.006 0.000 0.911 729 Q HN 0.758 nan 8.270 nan 0.000 0.438 730 E N -1.217 118.991 120.200 0.013 0.000 2.097 730 E HA -0.242 4.100 4.350 -0.014 0.000 0.196 730 E C 1.212 177.729 176.600 -0.138 0.000 1.000 730 E CA 1.475 57.805 56.400 -0.116 0.000 0.804 730 E CB -0.190 29.340 29.700 -0.284 0.000 0.740 730 E HN 0.594 nan 8.360 nan 0.000 0.454 731 Y N -1.481 118.869 120.300 0.082 0.000 2.457 731 Y HA -0.089 4.452 4.550 -0.014 0.000 0.292 731 Y C 1.907 177.780 175.900 -0.045 0.000 1.125 731 Y CA 1.073 59.204 58.100 0.052 0.000 1.254 731 Y CB -0.256 38.283 38.460 0.132 0.000 1.012 731 Y HN 0.239 nan 8.280 nan 0.000 0.555 732 Y N 0.957 121.249 120.300 -0.013 0.000 2.206 732 Y HA -0.155 4.386 4.550 -0.014 0.000 0.292 732 Y C 1.838 177.695 175.900 -0.073 0.000 1.123 732 Y CA 1.516 59.543 58.100 -0.122 0.000 1.142 732 Y CB -0.379 38.059 38.460 -0.036 0.000 1.006 732 Y HN -0.019 nan 8.280 nan 0.000 0.518 733 D N 0.275 120.810 120.400 0.225 0.000 2.087 733 D HA -0.168 4.464 4.640 -0.014 0.000 0.192 733 D C 2.085 178.367 176.300 -0.030 0.000 0.993 733 D CA 1.524 55.579 54.000 0.092 0.000 0.828 733 D CB -0.215 40.649 40.800 0.106 0.000 0.968 733 D HN 0.333 nan 8.370 nan 0.000 0.448 734 R N 0.161 120.643 120.500 -0.029 0.000 2.237 734 R HA 0.046 4.378 4.340 -0.014 0.000 0.219 734 R C 0.579 176.858 176.300 -0.035 0.000 1.080 734 R CA 0.308 56.386 56.100 -0.036 0.000 0.995 734 R CB -0.266 30.010 30.300 -0.040 0.000 0.875 734 R HN 0.287 nan 8.270 nan 0.000 0.462 735 I N 1.683 122.215 120.570 -0.062 0.000 2.437 735 I HA 0.195 4.357 4.170 -0.014 0.000 0.279 735 I C -1.834 174.203 176.117 -0.132 0.000 1.028 735 I CA -2.274 59.000 61.300 -0.044 0.000 1.142 735 I CB 2.380 40.405 38.000 0.041 0.000 1.266 735 I HN -0.247 nan 8.210 nan 0.000 0.461 736 P HA -0.175 nan 4.420 nan 0.000 0.215 736 P C 1.087 178.311 177.300 -0.128 0.000 1.153 736 P CA 1.411 64.428 63.100 -0.139 0.000 0.853 736 P CB 0.242 31.889 31.700 -0.089 0.000 0.788 737 E N -0.507 119.662 120.200 -0.052 0.000 2.077 737 E HA -0.159 4.183 4.350 -0.014 0.000 0.193 737 E C 2.088 178.635 176.600 -0.087 0.000 0.989 737 E CA 0.793 57.187 56.400 -0.011 0.000 0.800 737 E CB -0.784 28.983 29.700 0.113 0.000 0.746 737 E HN 0.256 nan 8.360 nan 0.000 0.452 738 L N 1.000 122.094 121.223 -0.216 0.000 2.046 738 L HA -0.184 4.148 4.340 -0.014 0.000 0.208 738 L C 2.841 179.478 176.870 -0.387 0.000 1.077 738 L CA 1.131 55.679 54.840 -0.486 0.000 0.747 738 L CB -0.149 41.474 42.059 -0.727 0.000 0.896 738 L HN 0.069 nan 8.230 nan 0.000 0.432 739 R N -0.466 119.761 120.500 -0.455 0.000 2.083 739 R HA -0.260 4.072 4.340 -0.014 0.000 0.237 739 R C 2.333 178.472 176.300 -0.268 0.000 1.137 739 R CA 2.064 57.790 56.100 -0.623 0.000 0.951 739 R CB -0.316 29.543 30.300 -0.736 0.000 0.851 739 R HN 0.472 nan 8.270 nan 0.000 0.434 740 Q N 0.408 120.096 119.800 -0.187 0.000 2.096 740 Q HA -0.186 4.146 4.340 -0.014 0.000 0.204 740 Q C 2.152 178.133 176.000 -0.032 0.000 0.982 740 Q CA 1.850 57.594 55.803 -0.098 0.000 0.850 740 Q CB -0.082 28.600 28.738 -0.093 0.000 0.901 740 Q HN 0.467 nan 8.270 nan 0.000 0.422 741 I N 0.600 121.158 120.570 -0.020 0.000 2.179 741 I HA -0.305 3.856 4.170 -0.014 0.000 0.242 741 I C 2.232 178.417 176.117 0.114 0.000 1.088 741 I CA 0.641 61.984 61.300 0.071 0.000 1.357 741 I CB -0.315 37.700 38.000 0.025 0.000 1.051 741 I HN 0.287 nan 8.210 nan 0.000 0.409 742 I N 0.751 121.375 120.570 0.089 0.000 2.099 742 I HA -0.289 3.873 4.170 -0.014 0.000 0.239 742 I C 2.565 178.794 176.117 0.187 0.000 1.066 742 I CA 1.685 63.093 61.300 0.181 0.000 1.324 742 I CB -1.455 36.726 38.000 0.301 0.000 1.037 742 I HN 0.212 nan 8.210 nan 0.000 0.401 743 E N 0.740 121.037 120.200 0.162 0.000 2.114 743 E HA -0.248 4.094 4.350 -0.014 0.000 0.199 743 E C 2.236 178.917 176.600 0.136 0.000 1.008 743 E CA 1.300 57.782 56.400 0.136 0.000 0.810 743 E CB -0.373 29.377 29.700 0.083 0.000 0.739 743 E HN 0.527 nan 8.360 nan 0.000 0.456 744 Q N -0.421 119.461 119.800 0.137 0.000 2.124 744 Q HA -0.114 4.217 4.340 -0.014 0.000 0.202 744 Q C 2.290 178.486 176.000 0.325 0.000 0.977 744 Q CA 1.110 57.030 55.803 0.195 0.000 0.850 744 Q CB -0.144 28.721 28.738 0.212 0.000 0.901 744 Q HN 0.307 nan 8.270 nan 0.000 0.429 745 L N -0.085 121.334 121.223 0.326 0.000 2.005 745 L HA -0.156 4.176 4.340 -0.014 0.000 0.207 745 L C 2.336 179.375 176.870 0.281 0.000 1.072 745 L CA 1.064 56.099 54.840 0.325 0.000 0.744 745 L CB -0.533 41.655 42.059 0.216 0.000 0.895 745 L HN 0.137 nan 8.230 nan 0.000 0.433 746 S N -0.118 115.713 115.700 0.218 0.000 2.440 746 S HA -0.122 4.339 4.470 -0.014 0.000 0.238 746 S C 1.862 176.559 174.600 0.161 0.000 1.010 746 S CA 1.434 59.742 58.200 0.180 0.000 0.972 746 S CB -0.207 63.084 63.200 0.152 0.000 0.774 746 S HN 0.609 nan 8.310 nan 0.000 0.501 747 S N -0.268 115.533 115.700 0.168 0.000 2.539 747 S HA 0.479 4.941 4.470 -0.014 0.000 0.221 747 S C 1.219 175.906 174.600 0.145 0.000 0.987 747 S CA 0.300 58.583 58.200 0.137 0.000 0.929 747 S CB 0.380 63.650 63.200 0.117 0.000 0.832 747 S HN 0.697 nan 8.310 nan 0.000 0.492 748 G N 1.410 110.321 108.800 0.185 0.000 2.149 748 G HA2 -0.311 3.641 3.960 -0.014 0.000 0.235 748 G HA3 -0.311 3.641 3.960 -0.014 0.000 0.235 748 G C 0.143 175.125 174.900 0.136 0.000 1.018 748 G CA 0.214 45.410 45.100 0.162 0.000 0.728 748 G HN 0.550 nan 8.290 nan 0.000 0.508 749 F N 0.313 120.268 119.950 0.008 0.000 2.146 749 F HA 0.262 4.781 4.527 -0.014 0.000 0.298 749 F C 1.918 177.590 175.800 -0.214 0.000 1.096 749 F CA 1.488 59.395 58.000 -0.156 0.000 1.275 749 F CB -0.195 38.631 39.000 -0.290 0.000 1.008 749 F HN 0.129 nan 8.300 nan 0.000 0.480 750 F N 0.297 120.152 119.950 -0.159 0.000 2.789 750 F HA 0.163 4.682 4.527 -0.014 0.000 0.300 750 F C 1.029 176.832 175.800 0.006 0.000 1.132 750 F CA 0.493 58.374 58.000 -0.198 0.000 1.404 750 F CB -0.492 38.456 39.000 -0.086 0.000 1.114 750 F HN 0.058 nan 8.300 nan 0.000 0.584 751 S N -1.653 114.162 115.700 0.193 0.000 2.204 751 S HA 0.365 4.826 4.470 -0.014 0.000 0.147 751 S C -2.423 172.200 174.600 0.039 0.000 1.711 751 S CA -1.145 57.123 58.200 0.113 0.000 1.274 751 S CB 1.139 64.389 63.200 0.084 0.000 1.257 751 S HN -0.166 nan 8.310 nan 0.000 0.404 752 P HA -0.042 nan 4.420 nan 0.000 0.213 752 P C 0.993 178.300 177.300 0.011 0.000 1.170 752 P CA 1.243 64.344 63.100 0.002 0.000 0.893 752 P CB 0.055 31.741 31.700 -0.022 0.000 0.784 753 K N -0.476 119.927 120.400 0.005 0.000 2.574 753 K HA -0.066 4.246 4.320 -0.014 0.000 0.193 753 K C 0.506 177.111 176.600 0.008 0.000 1.035 753 K CA 0.638 56.929 56.287 0.007 0.000 0.982 753 K CB -0.281 32.222 32.500 0.005 0.000 0.795 753 K HN 0.438 nan 8.250 nan 0.000 0.491 754 Q N -2.057 117.746 119.800 0.005 0.000 3.660 754 Q HA 0.203 4.535 4.340 -0.014 0.000 0.194 754 Q C -2.840 173.160 176.000 0.001 0.000 0.872 754 Q CA -1.497 54.306 55.803 0.000 0.000 0.756 754 Q CB 1.417 30.149 28.738 -0.010 0.000 1.443 754 Q HN -0.189 nan 8.270 nan 0.000 0.460 755 P HA -0.186 nan 4.420 nan 0.000 0.217 755 P C 0.733 178.076 177.300 0.072 0.000 1.151 755 P CA 1.324 64.459 63.100 0.058 0.000 0.828 755 P CB 0.154 31.891 31.700 0.061 0.000 0.788 756 D N -0.358 120.072 120.400 0.050 0.000 2.363 756 D HA -0.086 4.546 4.640 -0.014 0.000 0.226 756 D C 1.791 178.110 176.300 0.031 0.000 1.020 756 D CA 0.164 54.200 54.000 0.060 0.000 0.892 756 D CB -0.620 40.211 40.800 0.051 0.000 0.900 756 D HN 0.040 nan 8.370 nan 0.000 0.531 757 L N 0.334 121.525 121.223 -0.054 0.000 2.034 757 L HA -0.216 4.115 4.340 -0.014 0.000 0.217 757 L C 1.265 177.970 176.870 -0.276 0.000 1.077 757 L CA 1.685 56.388 54.840 -0.227 0.000 0.769 757 L CB -0.806 40.963 42.059 -0.484 0.000 0.890 757 L HN -0.081 nan 8.230 nan 0.000 0.435 758 F N 0.245 120.246 119.950 0.084 0.000 2.701 758 F HA 0.144 4.662 4.527 -0.014 0.000 0.295 758 F C 1.830 177.677 175.800 0.079 0.000 1.165 758 F CA 0.036 58.076 58.000 0.067 0.000 1.399 758 F CB -0.784 38.250 39.000 0.055 0.000 0.996 758 F HN 0.267 nan 8.300 nan 0.000 0.513 759 K N -1.225 119.297 120.400 0.203 0.000 2.432 759 K HA -0.055 4.257 4.320 -0.014 0.000 0.196 759 K C 0.839 177.540 176.600 0.169 0.000 1.038 759 K CA 1.185 57.576 56.287 0.174 0.000 0.986 759 K CB -0.138 32.443 32.500 0.135 0.000 0.782 759 K HN 0.087 nan 8.250 nan 0.000 0.485 760 D N 1.706 122.211 120.400 0.176 0.000 2.117 760 D HA -0.054 4.578 4.640 -0.014 0.000 0.198 760 D C 1.810 178.199 176.300 0.148 0.000 0.982 760 D CA 1.261 55.362 54.000 0.169 0.000 0.828 760 D CB 0.045 40.950 40.800 0.175 0.000 0.967 760 D HN 0.239 nan 8.370 nan 0.000 0.464 761 I N -0.223 120.431 120.570 0.141 0.000 2.286 761 I HA -0.171 3.991 4.170 -0.014 0.000 0.245 761 I C 2.164 178.329 176.117 0.079 0.000 1.104 761 I CA 0.462 61.818 61.300 0.094 0.000 1.397 761 I CB -0.274 37.770 38.000 0.074 0.000 1.072 761 I HN -0.061 nan 8.210 nan 0.000 0.417 762 V N 1.318 121.298 119.914 0.111 0.000 2.261 762 V HA -0.293 3.819 4.120 -0.014 0.000 0.246 762 V C 2.384 178.500 176.094 0.037 0.000 1.047 762 V CA 2.118 64.473 62.300 0.092 0.000 1.015 762 V CB -0.910 30.990 31.823 0.128 0.000 0.642 762 V HN 0.520 nan 8.190 nan 0.000 0.446 763 N N -0.207 118.548 118.700 0.091 0.000 2.149 763 N HA -0.208 4.524 4.740 -0.014 0.000 0.188 763 N C 1.918 177.486 175.510 0.097 0.000 1.019 763 N CA 1.939 55.064 53.050 0.124 0.000 0.857 763 N CB -0.133 38.503 38.487 0.249 0.000 0.997 763 N HN 0.450 nan 8.380 nan 0.000 0.426 764 M N 0.371 120.059 119.600 0.147 0.000 2.064 764 M HA -0.154 4.318 4.480 -0.014 0.000 0.260 764 M C 1.808 178.079 176.300 -0.049 0.000 1.073 764 M CA 1.118 56.517 55.300 0.166 0.000 1.124 764 M CB -0.562 32.135 32.600 0.160 0.000 1.326 764 M HN 0.033 nan 8.290 nan 0.000 0.410 765 L N 1.183 122.330 121.223 -0.127 0.000 2.043 765 L HA -0.268 4.064 4.340 -0.014 0.000 0.212 765 L C 2.599 179.184 176.870 -0.474 0.000 1.075 765 L CA 1.846 56.474 54.840 -0.354 0.000 0.752 765 L CB -1.084 40.767 42.059 -0.346 0.000 0.891 765 L HN 0.395 nan 8.230 nan 0.000 0.432 766 M N -1.736 117.631 119.600 -0.387 0.000 2.175 766 M HA -0.122 4.350 4.480 -0.014 0.000 0.264 766 M C 1.481 177.364 176.300 -0.695 0.000 1.063 766 M CA 1.617 56.584 55.300 -0.555 0.000 1.119 766 M CB -0.835 31.275 32.600 -0.818 0.000 1.377 766 M HN 0.353 nan 8.290 nan 0.000 0.415 767 H N -2.611 116.284 119.070 -0.293 0.000 3.233 767 H HA 0.269 4.817 4.556 -0.014 0.000 0.263 767 H C 0.027 174.913 175.328 -0.736 0.000 1.168 767 H CA 0.232 55.967 56.048 -0.522 0.000 1.159 767 H CB 0.226 29.580 29.762 -0.679 0.000 1.593 767 H HN 0.539 nan 8.280 nan 0.000 0.580 768 H N -0.563 118.551 119.070 0.073 0.000 3.204 768 H HA 0.091 4.639 4.556 -0.014 0.000 0.240 768 H C -0.542 174.797 175.328 0.017 0.000 1.259 768 H CA -0.316 55.770 56.048 0.063 0.000 0.991 768 H CB 0.931 30.739 29.762 0.076 0.000 2.583 768 H HN -0.042 nan 8.280 nan 0.000 0.638 769 D N 1.526 121.949 120.400 0.037 0.000 2.402 769 D HA 0.062 4.694 4.640 -0.014 0.000 0.235 769 D C 1.237 177.451 176.300 -0.144 0.000 1.226 769 D CA 0.041 54.029 54.000 -0.020 0.000 0.918 769 D CB 0.458 41.233 40.800 -0.040 0.000 1.043 769 D HN 0.341 nan 8.370 nan 0.000 0.506 770 R N 2.152 122.492 120.500 -0.266 0.000 2.193 770 R HA -0.094 4.238 4.340 -0.014 0.000 0.229 770 R C 0.624 176.345 176.300 -0.964 0.000 1.110 770 R CA 1.027 56.737 56.100 -0.650 0.000 0.988 770 R CB 0.151 29.927 30.300 -0.874 0.000 0.871 770 R HN 0.344 nan 8.270 nan 0.000 0.458 771 F N 0.015 119.917 119.950 -0.079 0.000 2.683 771 F HA 0.292 4.811 4.527 -0.014 0.000 0.306 771 F C -0.110 175.559 175.800 -0.218 0.000 1.102 771 F CA -0.548 57.388 58.000 -0.107 0.000 1.244 771 F CB 0.446 39.438 39.000 -0.012 0.000 1.029 771 F HN -0.242 nan 8.300 nan 0.000 0.545 772 K N -0.142 120.056 120.400 -0.337 0.000 3.619 772 K HA -0.153 4.159 4.320 -0.014 0.000 0.275 772 K C 0.781 177.254 176.600 -0.212 0.000 0.993 772 K CA 0.123 56.040 56.287 -0.617 0.000 0.787 772 K CB -1.703 30.383 32.500 -0.689 0.000 1.431 772 K HN 0.190 nan 8.250 nan 0.000 0.451 773 V N 0.100 119.956 119.914 -0.096 0.000 2.548 773 V HA -0.190 3.921 4.120 -0.014 0.000 0.249 773 V C 1.870 178.111 176.094 0.245 0.000 1.055 773 V CA 1.622 63.947 62.300 0.042 0.000 1.065 773 V CB -0.419 31.415 31.823 0.018 0.000 0.681 773 V HN 0.427 nan 8.190 nan 0.000 0.462 774 F N 0.847 120.808 119.950 0.018 0.000 2.259 774 F HA 0.060 4.578 4.527 -0.014 0.000 0.298 774 F C 2.434 178.035 175.800 -0.332 0.000 1.088 774 F CA 0.519 58.473 58.000 -0.076 0.000 1.358 774 F CB -1.457 37.507 39.000 -0.061 0.000 1.040 774 F HN 0.157 nan 8.300 nan 0.000 0.505 775 A N -0.454 122.232 122.820 -0.223 0.000 1.972 775 A HA -0.167 4.145 4.320 -0.014 0.000 0.219 775 A C 1.728 179.320 177.584 0.013 0.000 1.169 775 A CA 1.934 53.768 52.037 -0.338 0.000 0.635 775 A CB -0.541 18.398 19.000 -0.100 0.000 0.810 775 A HN 0.196 nan 8.150 nan 0.000 0.446 776 D N -2.748 117.716 120.400 0.107 0.000 2.369 776 D HA 0.082 4.714 4.640 -0.014 0.000 0.211 776 D C 1.129 177.630 176.300 0.335 0.000 1.077 776 D CA 0.023 54.158 54.000 0.225 0.000 0.842 776 D CB -0.043 40.882 40.800 0.208 0.000 0.947 776 D HN 0.592 nan 8.370 nan 0.000 0.509 777 Y N 1.981 122.395 120.300 0.189 0.000 2.200 777 Y HA -0.154 4.387 4.550 -0.013 0.000 0.290 777 Y C 2.034 178.042 175.900 0.181 0.000 1.137 777 Y CA 1.532 59.757 58.100 0.208 0.000 1.163 777 Y CB 0.318 38.870 38.460 0.154 0.000 0.988 777 Y HN -0.161 nan 8.280 nan 0.000 0.518 778 E N 0.501 120.768 120.200 0.111 0.000 2.023 778 E HA -0.263 4.078 4.350 -0.014 0.000 0.196 778 E C 2.110 178.699 176.600 -0.019 0.000 1.003 778 E CA 1.733 58.138 56.400 0.008 0.000 0.809 778 E CB -0.348 29.437 29.700 0.141 0.000 0.755 778 E HN 0.642 nan 8.360 nan 0.000 0.449 779 E N -0.451 119.820 120.200 0.117 0.000 2.204 779 E HA -0.183 4.158 4.350 -0.014 0.000 0.195 779 E C 1.904 178.577 176.600 0.121 0.000 0.990 779 E CA 0.523 57.022 56.400 0.166 0.000 0.821 779 E CB -0.056 29.817 29.700 0.289 0.000 0.750 779 E HN 0.205 nan 8.360 nan 0.000 0.477 780 Y N 0.709 120.944 120.300 -0.108 0.000 2.130 780 Y HA -0.191 4.350 4.550 -0.014 0.000 0.287 780 Y C 2.246 177.810 175.900 -0.560 0.000 1.124 780 Y CA 1.531 59.255 58.100 -0.627 0.000 1.118 780 Y CB -0.646 37.495 38.460 -0.532 0.000 0.994 780 Y HN -0.042 nan 8.280 nan 0.000 0.497 781 V N -0.570 118.990 119.914 -0.590 0.000 2.490 781 V HA -0.212 3.900 4.120 -0.014 0.000 0.250 781 V C 2.184 178.038 176.094 -0.400 0.000 1.061 781 V CA 2.232 64.190 62.300 -0.570 0.000 1.064 781 V CB -0.798 30.768 31.823 -0.428 0.000 0.670 781 V HN 0.266 nan 8.190 nan 0.000 0.461 782 K N -0.106 120.127 120.400 -0.278 0.000 1.991 782 K HA -0.159 4.152 4.320 -0.014 0.000 0.212 782 K C 2.341 178.822 176.600 -0.198 0.000 1.049 782 K CA 2.223 58.407 56.287 -0.171 0.000 0.932 782 K CB -1.212 31.244 32.500 -0.074 0.000 0.717 782 K HN 0.626 nan 8.250 nan 0.000 0.441 783 C N 1.096 120.259 119.300 -0.228 0.000 2.403 783 C HA -0.135 4.317 4.460 -0.014 0.000 0.277 783 C C 2.545 177.294 174.990 -0.402 0.000 1.248 783 C CA 0.929 59.813 59.018 -0.223 0.000 1.762 783 C CB -0.785 26.835 27.740 -0.200 0.000 2.014 783 C HN 0.466 nan 8.230 nan 0.000 0.486 784 Q N 0.215 119.663 119.800 -0.586 0.000 2.167 784 Q HA -0.132 4.200 4.340 -0.014 0.000 0.202 784 Q C 2.037 177.821 176.000 -0.360 0.000 0.970 784 Q CA 1.449 56.879 55.803 -0.621 0.000 0.855 784 Q CB -0.377 27.762 28.738 -0.999 0.000 0.911 784 Q HN 0.759 nan 8.270 nan 0.000 0.438 785 E N 0.292 120.335 120.200 -0.262 0.000 2.106 785 E HA -0.123 4.219 4.350 -0.014 0.000 0.192 785 E C 2.018 178.546 176.600 -0.119 0.000 0.984 785 E CA 0.498 56.807 56.400 -0.151 0.000 0.806 785 E CB -0.020 29.614 29.700 -0.109 0.000 0.750 785 E HN 0.246 nan 8.360 nan 0.000 0.458 786 R N 0.613 121.038 120.500 -0.124 0.000 2.189 786 R HA -0.104 4.227 4.340 -0.014 0.000 0.223 786 R C 2.612 178.847 176.300 -0.108 0.000 1.092 786 R CA 1.258 57.335 56.100 -0.039 0.000 0.989 786 R CB -0.332 30.012 30.300 0.073 0.000 0.876 786 R HN 0.205 nan 8.270 nan 0.000 0.457 787 V N -2.606 117.061 119.914 -0.411 0.000 2.407 787 V HA -0.063 4.048 4.120 -0.014 0.000 0.245 787 V C 1.908 178.039 176.094 0.063 0.000 1.041 787 V CA 1.589 63.665 62.300 -0.373 0.000 1.040 787 V CB -0.149 31.320 31.823 -0.591 0.000 0.671 787 V HN 0.041 nan 8.190 nan 0.000 0.455 788 S N 1.079 116.754 115.700 -0.042 0.000 2.399 788 S HA -0.039 4.422 4.470 -0.014 0.000 0.231 788 S C 2.270 176.912 174.600 0.070 0.000 1.022 788 S CA 1.604 59.802 58.200 -0.002 0.000 0.983 788 S CB -0.632 62.523 63.200 -0.076 0.000 0.803 788 S HN 0.957 nan 8.310 nan 0.000 0.480 789 A N 1.411 124.275 122.820 0.073 0.000 1.865 789 A HA -0.049 4.262 4.320 -0.014 0.000 0.217 789 A C 2.087 179.769 177.584 0.163 0.000 1.191 789 A CA 1.251 53.351 52.037 0.104 0.000 0.623 789 A CB -0.759 18.298 19.000 0.096 0.000 0.826 789 A HN 0.474 nan 8.150 nan 0.000 0.444 790 L N -2.148 119.242 121.223 0.278 0.000 2.217 790 L HA -0.100 4.232 4.340 -0.014 0.000 0.211 790 L C 2.442 179.516 176.870 0.341 0.000 1.107 790 L CA 1.263 56.352 54.840 0.414 0.000 0.783 790 L CB -0.320 42.135 42.059 0.660 0.000 0.919 790 L HN 0.612 nan 8.230 nan 0.000 0.442 791 Y N 1.810 122.089 120.300 -0.035 0.000 2.224 791 Y HA -0.271 4.272 4.550 -0.013 0.000 0.289 791 Y C 2.201 177.929 175.900 -0.286 0.000 1.146 791 Y CA 1.820 59.555 58.100 -0.608 0.000 1.182 791 Y CB -0.058 38.024 38.460 -0.630 0.000 0.983 791 Y HN 0.192 nan 8.280 nan 0.000 0.524 792 K N -0.391 119.936 120.400 -0.122 0.000 2.504 792 K HA 0.037 4.349 4.320 -0.014 0.000 0.199 792 K C 0.048 176.611 176.600 -0.063 0.000 1.028 792 K CA 0.400 56.632 56.287 -0.091 0.000 1.164 792 K CB -0.181 32.376 32.500 0.094 0.000 0.877 792 K HN 0.028 nan 8.250 nan 0.000 0.508 793 N N 1.645 120.314 118.700 -0.052 0.000 2.844 793 N HA 0.155 4.887 4.740 -0.014 0.000 0.268 793 N C -1.972 173.524 175.510 -0.023 0.000 1.574 793 N CA -2.333 50.713 53.050 -0.008 0.000 0.838 793 N CB 1.082 39.605 38.487 0.060 0.000 1.177 793 N HN -0.064 nan 8.380 nan 0.000 0.495 794 P HA -0.238 nan 4.420 nan 0.000 0.216 794 P C 1.169 178.466 177.300 -0.005 0.000 1.154 794 P CA 1.255 64.267 63.100 -0.148 0.000 0.865 794 P CB 0.415 31.989 31.700 -0.210 0.000 0.789 795 R N 0.008 120.511 120.500 0.005 0.000 2.189 795 R HA -0.091 4.241 4.340 -0.014 0.000 0.223 795 R C 1.944 178.281 176.300 0.063 0.000 1.092 795 R CA 1.376 57.494 56.100 0.029 0.000 0.989 795 R CB -0.585 29.724 30.300 0.015 0.000 0.876 795 R HN -0.015 nan 8.270 nan 0.000 0.457 796 E N -0.712 119.540 120.200 0.086 0.000 2.276 796 E HA -0.015 4.327 4.350 -0.014 0.000 0.193 796 E C 0.955 177.653 176.600 0.163 0.000 0.983 796 E CA 0.499 56.959 56.400 0.101 0.000 0.861 796 E CB -0.281 29.476 29.700 0.095 0.000 0.817 796 E HN 0.354 nan 8.360 nan 0.000 0.485 797 W N 1.224 122.522 121.300 -0.003 0.000 2.354 797 W HA -0.146 4.504 4.660 -0.015 0.000 0.315 797 W C 2.167 178.690 176.519 0.006 0.000 1.206 797 W CA 2.246 59.605 57.345 0.024 0.000 1.290 797 W CB -0.702 28.770 29.460 0.019 0.000 1.152 797 W HN 0.009 nan 8.180 nan 0.000 0.489 798 T N -0.024 114.657 114.554 0.211 0.000 2.833 798 T HA -0.193 4.149 4.350 -0.014 0.000 0.269 798 T C 1.739 176.469 174.700 0.049 0.000 1.054 798 T CA 1.497 63.658 62.100 0.103 0.000 1.135 798 T CB -0.257 68.640 68.868 0.049 0.000 0.869 798 T HN 0.160 nan 8.240 nan 0.000 0.466 799 R N 0.172 120.702 120.500 0.050 0.000 2.115 799 R HA 0.175 4.507 4.340 -0.014 0.000 0.226 799 R C 2.472 178.770 176.300 -0.003 0.000 1.100 799 R CA 0.903 57.024 56.100 0.035 0.000 0.980 799 R CB -0.299 30.024 30.300 0.039 0.000 0.875 799 R HN 0.365 nan 8.270 nan 0.000 0.445 800 M N 0.401 119.971 119.600 -0.051 0.000 2.099 800 M HA -0.152 4.319 4.480 -0.014 0.000 0.262 800 M C 2.062 178.280 176.300 -0.137 0.000 1.067 800 M CA 1.437 56.654 55.300 -0.137 0.000 1.124 800 M CB 0.068 32.506 32.600 -0.270 0.000 1.353 800 M HN -0.045 nan 8.290 nan 0.000 0.410 801 V N 1.015 120.850 119.914 -0.132 0.000 2.278 801 V HA -0.351 3.760 4.120 -0.014 0.000 0.251 801 V C 2.200 178.280 176.094 -0.023 0.000 1.062 801 V CA 2.201 64.453 62.300 -0.080 0.000 1.038 801 V CB -0.708 31.109 31.823 -0.010 0.000 0.646 801 V HN 0.527 nan 8.190 nan 0.000 0.447 802 I N -0.876 119.700 120.570 0.010 0.000 2.567 802 I HA -0.195 3.967 4.170 -0.014 0.000 0.257 802 I C 2.557 178.713 176.117 0.064 0.000 1.184 802 I CA 1.291 62.630 61.300 0.065 0.000 1.451 802 I CB -0.362 37.713 38.000 0.125 0.000 1.089 802 I HN 0.253 nan 8.210 nan 0.000 0.441 803 R N 0.070 120.586 120.500 0.026 0.000 2.210 803 R HA 0.031 4.363 4.340 -0.014 0.000 0.203 803 R C 1.842 178.159 176.300 0.028 0.000 1.010 803 R CA 0.372 56.486 56.100 0.024 0.000 1.008 803 R CB -0.087 30.212 30.300 -0.001 0.000 0.923 803 R HN 0.459 nan 8.270 nan 0.000 0.469 804 N N 0.975 119.681 118.700 0.009 0.000 2.182 804 N HA -0.027 4.705 4.740 -0.014 0.000 0.186 804 N C 1.940 177.486 175.510 0.060 0.000 1.036 804 N CA 0.955 54.023 53.050 0.031 0.000 0.850 804 N CB 0.040 38.509 38.487 -0.031 0.000 1.010 804 N HN 0.051 nan 8.380 nan 0.000 0.432 805 I N 1.764 122.361 120.570 0.045 0.000 2.194 805 I HA -0.268 3.894 4.170 -0.014 0.000 0.246 805 I C 2.285 178.440 176.117 0.064 0.000 1.093 805 I CA 1.145 62.479 61.300 0.056 0.000 1.355 805 I CB -0.255 37.772 38.000 0.044 0.000 1.046 805 I HN 0.105 nan 8.210 nan 0.000 0.413 806 A N -1.222 121.638 122.820 0.066 0.000 2.168 806 A HA -0.135 4.177 4.320 -0.014 0.000 0.215 806 A C 2.219 179.837 177.584 0.057 0.000 1.152 806 A CA 1.867 53.939 52.037 0.057 0.000 0.716 806 A CB -0.493 18.546 19.000 0.066 0.000 0.794 806 A HN 0.378 nan 8.150 nan 0.000 0.465 807 T N -1.568 113.034 114.554 0.080 0.000 3.085 807 T HA 0.147 4.489 4.350 -0.014 0.000 0.264 807 T C 1.418 176.212 174.700 0.157 0.000 1.019 807 T CA 0.712 62.868 62.100 0.093 0.000 0.910 807 T CB -0.297 68.625 68.868 0.091 0.000 1.059 807 T HN 0.361 nan 8.240 nan 0.000 0.542 808 S N 0.505 116.317 115.700 0.187 0.000 2.469 808 S HA -0.017 4.444 4.470 -0.014 0.000 0.238 808 S C 2.273 176.977 174.600 0.173 0.000 0.998 808 S CA 0.919 59.296 58.200 0.295 0.000 0.957 808 S CB -0.522 62.809 63.200 0.219 0.000 0.764 808 S HN 0.698 nan 8.310 nan 0.000 0.514 809 G N 2.355 111.185 108.800 0.048 0.000 2.624 809 G HA2 -0.355 3.597 3.960 -0.014 0.000 0.221 809 G HA3 -0.355 3.597 3.960 -0.014 0.000 0.221 809 G C 1.308 176.123 174.900 -0.141 0.000 1.169 809 G CA 1.186 46.275 45.100 -0.018 0.000 0.771 809 G HN 0.434 nan 8.290 nan 0.000 0.598 810 K N -0.166 120.015 120.400 -0.365 0.000 2.360 810 K HA -0.063 4.249 4.320 -0.014 0.000 0.201 810 K C 0.913 177.106 176.600 -0.679 0.000 1.046 810 K CA 0.621 56.552 56.287 -0.594 0.000 0.940 810 K CB -0.223 31.748 32.500 -0.881 0.000 0.748 810 K HN 0.403 nan 8.250 nan 0.000 0.465 811 F N 0.406 120.381 119.950 0.043 0.000 2.730 811 F HA 0.201 4.719 4.527 -0.015 0.000 0.295 811 F C 0.719 176.557 175.800 0.064 0.000 1.143 811 F CA -0.401 57.630 58.000 0.052 0.000 1.367 811 F CB 0.176 39.205 39.000 0.048 0.000 0.970 811 F HN -0.221 nan 8.300 nan 0.000 0.514 812 S N -0.151 115.607 115.700 0.098 0.000 2.586 812 S HA 0.211 4.673 4.470 -0.014 0.000 0.274 812 S C 1.376 176.038 174.600 0.102 0.000 1.281 812 S CA -0.225 58.036 58.200 0.103 0.000 1.035 812 S CB 0.858 64.092 63.200 0.056 0.000 0.962 812 S HN 0.328 nan 8.310 nan 0.000 0.512 813 S N 2.887 118.666 115.700 0.131 0.000 2.515 813 S HA -0.037 4.424 4.470 -0.014 0.000 0.231 813 S C 0.834 175.447 174.600 0.022 0.000 0.987 813 S CA 0.460 58.739 58.200 0.131 0.000 0.936 813 S CB -0.233 63.101 63.200 0.224 0.000 0.766 813 S HN 0.762 nan 8.310 nan 0.000 0.528 814 D N 1.647 122.060 120.400 0.021 0.000 2.162 814 D HA -0.019 4.612 4.640 -0.014 0.000 0.203 814 D C 2.117 178.406 176.300 -0.019 0.000 0.967 814 D CA 0.520 54.516 54.000 -0.006 0.000 0.840 814 D CB -0.255 40.546 40.800 0.002 0.000 0.972 814 D HN 0.232 nan 8.370 nan 0.000 0.482 815 R N 1.133 121.625 120.500 -0.014 0.000 2.066 815 R HA -0.086 4.246 4.340 -0.014 0.000 0.232 815 R C 1.874 178.156 176.300 -0.031 0.000 1.131 815 R CA 1.442 57.524 56.100 -0.030 0.000 0.955 815 R CB -0.872 29.397 30.300 -0.051 0.000 0.851 815 R HN 0.103 nan 8.270 nan 0.000 0.432 816 T N 2.141 116.691 114.554 -0.006 0.000 2.684 816 T HA -0.133 4.209 4.350 -0.014 0.000 0.267 816 T C 1.952 176.644 174.700 -0.013 0.000 1.036 816 T CA 1.361 63.477 62.100 0.028 0.000 1.148 816 T CB -0.110 68.831 68.868 0.122 0.000 0.863 816 T HN 0.093 nan 8.240 nan 0.000 0.436 817 I N 1.643 122.110 120.570 -0.171 0.000 2.233 817 I HA -0.026 4.135 4.170 -0.014 0.000 0.243 817 I C 2.992 179.063 176.117 -0.077 0.000 1.093 817 I CA 0.959 62.127 61.300 -0.220 0.000 1.380 817 I CB -1.630 36.230 38.000 -0.234 0.000 1.067 817 I HN 0.206 nan 8.210 nan 0.000 0.413 818 A N 0.027 122.821 122.820 -0.043 0.000 2.032 818 A HA -0.258 4.054 4.320 -0.014 0.000 0.221 818 A C 2.220 179.773 177.584 -0.050 0.000 1.165 818 A CA 1.657 53.680 52.037 -0.024 0.000 0.645 818 A CB -0.573 18.415 19.000 -0.019 0.000 0.807 818 A HN 0.554 nan 8.150 nan 0.000 0.453 819 Q N -2.229 117.527 119.800 -0.074 0.000 2.163 819 Q HA -0.085 4.247 4.340 -0.014 0.000 0.198 819 Q C 1.808 177.681 176.000 -0.210 0.000 0.954 819 Q CA 1.181 56.910 55.803 -0.123 0.000 0.851 819 Q CB -0.178 28.475 28.738 -0.141 0.000 0.928 819 Q HN 0.828 nan 8.270 nan 0.000 0.459 820 Y N 0.637 120.658 120.300 -0.466 0.000 2.181 820 Y HA -0.247 4.295 4.550 -0.014 0.000 0.288 820 Y C 2.400 177.780 175.900 -0.867 0.000 1.146 820 Y CA 1.079 58.670 58.100 -0.848 0.000 1.164 820 Y CB -0.636 36.936 38.460 -1.481 0.000 0.982 820 Y HN 0.140 nan 8.280 nan 0.000 0.515 821 A N 0.777 123.402 122.820 -0.325 0.000 1.852 821 A HA -0.293 4.018 4.320 -0.014 0.000 0.217 821 A C 2.307 179.914 177.584 0.039 0.000 1.215 821 A CA 2.456 54.537 52.037 0.073 0.000 0.641 821 A CB -0.834 18.250 19.000 0.140 0.000 0.838 821 A HN 0.445 nan 8.150 nan 0.000 0.450 822 R N -0.464 120.028 120.500 -0.013 0.000 2.081 822 R HA -0.131 4.201 4.340 -0.014 0.000 0.235 822 R C 1.738 178.020 176.300 -0.030 0.000 1.131 822 R CA 1.719 57.813 56.100 -0.010 0.000 0.960 822 R CB -0.289 29.997 30.300 -0.023 0.000 0.856 822 R HN 0.734 nan 8.270 nan 0.000 0.436 823 E N -0.843 119.301 120.200 -0.094 0.000 2.489 823 E HA 0.149 4.490 4.350 -0.014 0.000 0.204 823 E C 1.389 177.937 176.600 -0.087 0.000 1.006 823 E CA 0.155 56.503 56.400 -0.086 0.000 0.936 823 E CB 0.652 30.279 29.700 -0.121 0.000 1.002 823 E HN 0.315 nan 8.360 nan 0.000 0.488 824 I N -1.028 119.459 120.570 -0.139 0.000 3.873 824 I HA 0.058 4.220 4.170 -0.014 0.000 0.284 824 I C 1.261 177.485 176.117 0.178 0.000 1.186 824 I CA 0.053 61.303 61.300 -0.083 0.000 1.362 824 I CB 0.270 38.079 38.000 -0.318 0.000 1.432 824 I HN 0.130 nan 8.210 nan 0.000 0.454 825 W N 1.432 122.827 121.300 0.158 0.000 2.812 825 W HA 0.368 5.020 4.660 -0.014 0.000 0.263 825 W C 1.485 178.051 176.519 0.078 0.000 1.284 825 W CA 0.762 58.185 57.345 0.130 0.000 1.430 825 W CB -0.818 28.704 29.460 0.104 0.000 1.088 825 W HN 0.314 nan 8.180 nan 0.000 0.623 826 G N 1.214 110.149 108.800 0.224 0.000 2.212 826 G HA2 -0.142 3.810 3.960 -0.014 0.000 0.255 826 G HA3 -0.142 3.810 3.960 -0.014 0.000 0.255 826 G C -0.270 174.707 174.900 0.128 0.000 1.062 826 G CA 0.194 45.377 45.100 0.138 0.000 0.815 826 G HN 0.283 nan 8.290 nan 0.000 0.497 827 V N -4.047 115.960 119.914 0.155 0.000 2.864 827 V HA 0.921 5.033 4.120 -0.014 0.000 0.314 827 V C -0.210 175.944 176.094 0.099 0.000 1.073 827 V CA -1.702 60.671 62.300 0.122 0.000 0.956 827 V CB 2.296 34.202 31.823 0.137 0.000 1.023 827 V HN 0.116 nan 8.190 nan 0.000 0.435 828 E N 3.448 123.692 120.200 0.074 0.000 2.156 828 E HA 0.493 4.835 4.350 -0.014 0.000 0.279 828 E C -2.392 174.245 176.600 0.062 0.000 0.965 828 E CA -1.813 54.623 56.400 0.059 0.000 0.789 828 E CB 1.766 31.493 29.700 0.046 0.000 1.098 828 E HN 0.720 nan 8.360 nan 0.000 0.397 829 P HA -0.042 nan 4.420 nan 0.000 0.272 829 P C -0.224 177.102 177.300 0.045 0.000 1.239 829 P CA -0.007 63.124 63.100 0.052 0.000 0.807 829 P CB 0.710 32.434 31.700 0.040 0.000 0.951 830 S N -0.722 115.004 115.700 0.042 0.000 2.588 830 S HA 0.486 4.948 4.470 -0.014 0.000 0.269 830 S C -0.167 174.452 174.600 0.033 0.000 1.157 830 S CA -0.719 57.505 58.200 0.039 0.000 0.824 830 S CB 1.249 64.478 63.200 0.048 0.000 1.126 830 S HN 0.339 nan 8.310 nan 0.000 0.464 831 R N 1.008 121.525 120.500 0.027 0.000 2.549 831 R HA 0.240 4.571 4.340 -0.014 0.000 0.361 831 R C -0.571 175.736 176.300 0.012 0.000 0.969 831 R CA -0.029 56.084 56.100 0.023 0.000 1.158 831 R CB 0.387 30.703 30.300 0.026 0.000 1.456 831 R HN 0.692 nan 8.270 nan 0.000 0.540 832 Q N 2.621 122.428 119.800 0.012 0.000 2.262 832 Q HA 0.061 4.392 4.340 -0.014 0.000 0.272 832 Q C 0.319 176.311 176.000 -0.012 0.000 1.076 832 Q CA 0.106 55.911 55.803 0.003 0.000 0.905 832 Q CB 0.721 29.466 28.738 0.013 0.000 1.182 832 Q HN -0.047 nan 8.270 nan 0.000 0.390 833 R N 2.819 123.304 120.500 -0.024 0.000 2.489 833 R HA 0.110 4.442 4.340 -0.014 0.000 0.287 833 R C -0.703 175.564 176.300 -0.054 0.000 1.053 833 R CA -0.472 55.602 56.100 -0.044 0.000 1.036 833 R CB 0.079 30.347 30.300 -0.053 0.000 0.966 833 R HN 0.469 nan 8.270 nan 0.000 0.432 834 L N 4.709 125.883 121.223 -0.082 0.000 2.461 834 L HA 0.214 4.546 4.340 -0.014 0.000 0.272 834 L C -1.983 174.835 176.870 -0.086 0.000 1.197 834 L CA -1.429 53.337 54.840 -0.124 0.000 0.836 834 L CB 0.118 42.059 42.059 -0.197 0.000 1.105 834 L HN 0.603 nan 8.230 nan 0.000 0.477 835 P HA 0.050 nan 4.420 nan 0.000 0.264 835 P C -0.950 176.326 177.300 -0.039 0.000 1.183 835 P CA -0.013 63.063 63.100 -0.040 0.000 0.763 835 P CB 0.379 32.066 31.700 -0.022 0.000 0.807 836 A N 7.390 130.193 122.820 -0.028 0.000 2.622 836 A HA -0.074 4.237 4.320 -0.014 0.000 0.235 836 A C -0.459 177.115 177.584 -0.016 0.000 1.013 836 A CA -0.297 51.727 52.037 -0.022 0.000 0.765 836 A CB -1.085 17.907 19.000 -0.014 0.000 0.921 836 A HN 0.548 nan 8.150 nan 0.000 0.506 837 P HA -0.228 nan 4.420 nan 0.000 0.221 837 P C 0.233 177.532 177.300 -0.002 0.000 1.153 837 P CA 1.600 64.699 63.100 -0.001 0.000 0.858 837 P CB -0.506 31.201 31.700 0.012 0.000 0.783 838 D N 0.519 120.917 120.400 -0.002 0.000 2.730 838 D HA -0.120 4.512 4.640 -0.014 0.000 0.225 838 D C 1.436 177.734 176.300 -0.004 0.000 1.107 838 D CA 0.649 54.648 54.000 -0.003 0.000 0.837 838 D CB 0.273 41.072 40.800 -0.002 0.000 1.171 838 D HN 0.104 nan 8.370 nan 0.000 0.498 839 E N 2.953 123.149 120.200 -0.007 0.000 3.479 839 E HA -0.395 3.946 4.350 -0.014 0.000 0.435 839 E C -0.143 176.452 176.600 -0.008 0.000 1.512 839 E CA 2.209 58.604 56.400 -0.009 0.000 1.389 839 E CB -0.187 29.507 29.700 -0.009 0.000 1.191 839 E HN 0.791 nan 8.360 nan 0.000 0.393 840 K N -0.249 120.147 120.400 -0.008 0.000 5.510 840 K HA -0.182 4.130 4.320 -0.014 0.000 0.595 840 K C -0.439 176.155 176.600 -0.010 0.000 1.631 840 K CA 1.036 57.319 56.287 -0.007 0.000 1.368 840 K CB -1.070 31.429 32.500 -0.003 0.000 1.839 840 K HN 0.335 nan 8.250 nan 0.000 0.296 841 I N 4.948 125.511 120.570 -0.013 0.000 2.312 841 I HA 0.417 4.579 4.170 -0.014 0.000 0.290 841 I C -1.318 174.792 176.117 -0.012 0.000 1.008 841 I CA -2.142 59.149 61.300 -0.015 0.000 1.226 841 I CB 0.629 38.617 38.000 -0.020 0.000 1.371 841 I HN 0.988 nan 8.210 nan 0.000 0.468 842 P HA 0.000 nan 4.420 nan 0.000 0.216 842 P CA 0.000 63.097 63.100 -0.005 0.000 0.800 842 P CB 0.000 31.700 31.700 -0.000 0.000 0.726