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 4gpb_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 0.000 176.300 176.300 0.001 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 -0.121 120.276 120.400 -0.005 0.000 2.597 11 K HA 0.561 4.873 4.320 -0.014 0.000 0.282 11 K C -2.024 174.565 176.600 -0.019 0.000 0.975 11 K CA -0.556 55.720 56.287 -0.019 0.000 0.867 11 K CB 1.848 34.337 32.500 -0.018 0.000 1.465 11 K HN 0.069 nan 8.250 nan 0.000 0.417 12 Q N 1.097 120.877 119.800 -0.033 0.000 2.791 12 Q HA 0.332 4.664 4.340 -0.014 0.000 0.280 12 Q C -0.856 175.119 176.000 -0.042 0.000 0.928 12 Q CA -0.151 55.635 55.803 -0.028 0.000 0.819 12 Q CB 1.400 30.127 28.738 -0.019 0.000 1.552 12 Q HN 0.573 nan 8.270 nan 0.000 0.410 13 I N -2.945 117.606 120.570 -0.030 0.000 3.888 13 I HA 0.408 4.570 4.170 -0.014 0.000 0.268 13 I C 0.579 176.685 176.117 -0.018 0.000 1.118 13 I CA -0.035 61.245 61.300 -0.033 0.000 1.352 13 I CB 0.068 38.049 38.000 -0.031 0.000 1.742 13 I HN 0.522 nan 8.210 nan 0.000 0.415 14 S N 0.012 115.708 115.700 -0.006 0.000 3.410 14 S HA -0.182 4.280 4.470 -0.014 0.000 0.640 14 S C -0.241 174.363 174.600 0.007 0.000 2.552 14 S CA 0.676 58.880 58.200 0.006 0.000 2.728 14 S CB -0.383 62.821 63.200 0.006 0.000 0.329 14 S HN 0.941 nan 8.310 nan 0.000 1.792 15 V N 3.606 123.530 119.914 0.018 0.000 2.233 15 V HA 0.418 4.530 4.120 -0.014 0.000 0.261 15 V C 0.757 176.861 176.094 0.017 0.000 1.076 15 V CA -0.316 61.993 62.300 0.016 0.000 1.001 15 V CB -0.067 31.771 31.823 0.025 0.000 1.206 15 V HN 0.641 nan 8.190 nan 0.000 0.468 16 R N 3.458 123.962 120.500 0.006 0.000 2.788 16 R HA 0.425 4.756 4.340 -0.014 0.000 0.264 16 R C 0.961 177.255 176.300 -0.010 0.000 1.267 16 R CA 0.499 56.600 56.100 0.002 0.000 1.213 16 R CB 0.106 30.403 30.300 -0.005 0.000 1.256 16 R HN 0.830 nan 8.270 nan 0.000 0.556 17 G N 0.961 109.755 108.800 -0.011 0.000 2.725 17 G HA2 -0.264 3.688 3.960 -0.014 0.000 0.220 17 G HA3 -0.264 3.688 3.960 -0.014 0.000 0.220 17 G C -0.569 174.318 174.900 -0.021 0.000 1.357 17 G CA -0.945 44.141 45.100 -0.023 0.000 0.866 17 G HN 0.185 nan 8.290 nan 0.000 0.548 18 L N 0.366 121.574 121.223 -0.024 0.000 2.334 18 L HA 0.635 4.967 4.340 -0.014 0.000 0.277 18 L C 1.030 177.887 176.870 -0.022 0.000 1.075 18 L CA -0.282 54.546 54.840 -0.020 0.000 0.804 18 L CB 1.791 43.840 42.059 -0.017 0.000 1.174 18 L HN 1.124 nan 8.230 nan 0.000 0.438 19 A N 2.682 125.492 122.820 -0.017 0.000 2.969 19 A HA 0.546 4.858 4.320 -0.014 0.000 0.328 19 A C 0.407 177.986 177.584 -0.008 0.000 1.355 19 A CA -0.391 51.638 52.037 -0.015 0.000 1.018 19 A CB -0.220 18.771 19.000 -0.015 0.000 1.159 19 A HN 0.769 nan 8.150 nan 0.000 0.505 20 G N 0.595 109.391 108.800 -0.006 0.000 2.355 20 G HA2 0.409 4.360 3.960 -0.014 0.000 0.276 20 G HA3 0.409 4.360 3.960 -0.014 0.000 0.276 20 G C 1.012 175.916 174.900 0.007 0.000 1.198 20 G CA 0.038 45.138 45.100 0.000 0.000 0.876 20 G HN 0.570 nan 8.290 nan 0.000 0.478 21 V N 2.917 122.836 119.914 0.008 0.000 2.351 21 V HA -0.403 3.708 4.120 -0.014 0.000 0.245 21 V C 2.747 178.852 176.094 0.018 0.000 1.059 21 V CA 2.829 65.137 62.300 0.012 0.000 1.105 21 V CB -0.868 30.961 31.823 0.011 0.000 0.845 21 V HN 0.782 nan 8.190 nan 0.000 0.477 22 E N -0.447 119.765 120.200 0.019 0.000 2.153 22 E HA -0.165 4.176 4.350 -0.014 0.000 0.194 22 E C 1.946 178.567 176.600 0.036 0.000 0.988 22 E CA 1.561 57.977 56.400 0.027 0.000 0.811 22 E CB -0.348 29.367 29.700 0.026 0.000 0.746 22 E HN 0.739 nan 8.360 nan 0.000 0.466 23 N N -1.087 117.632 118.700 0.031 0.000 2.207 23 N HA -0.076 4.655 4.740 -0.014 0.000 0.182 23 N C 1.427 176.955 175.510 0.031 0.000 1.020 23 N CA 0.642 53.714 53.050 0.036 0.000 0.858 23 N CB 0.243 38.740 38.487 0.016 0.000 0.991 23 N HN -0.055 nan 8.380 nan 0.000 0.427 24 V N -0.011 119.915 119.914 0.020 0.000 2.490 24 V HA -0.191 3.921 4.120 -0.014 0.000 0.250 24 V C 1.945 178.056 176.094 0.030 0.000 1.061 24 V CA 1.707 64.018 62.300 0.018 0.000 1.064 24 V CB -0.748 31.083 31.823 0.013 0.000 0.670 24 V HN 0.409 nan 8.190 nan 0.000 0.461 25 T N -0.608 113.966 114.554 0.034 0.000 2.732 25 T HA -0.181 4.161 4.350 -0.014 0.000 0.261 25 T C 1.927 176.663 174.700 0.061 0.000 1.040 25 T CA 1.619 63.743 62.100 0.040 0.000 1.145 25 T CB -0.188 68.700 68.868 0.034 0.000 0.866 25 T HN 0.439 nan 8.240 nan 0.000 0.427 26 E N 0.843 121.086 120.200 0.071 0.000 2.070 26 E HA -0.127 4.215 4.350 -0.014 0.000 0.197 26 E C 1.932 178.614 176.600 0.136 0.000 1.004 26 E CA 0.980 57.440 56.400 0.099 0.000 0.805 26 E CB -0.541 29.225 29.700 0.110 0.000 0.744 26 E HN 0.178 nan 8.360 nan 0.000 0.451 27 L N 0.771 122.072 121.223 0.130 0.000 2.017 27 L HA -0.123 4.209 4.340 -0.014 0.000 0.208 27 L C 2.195 179.169 176.870 0.175 0.000 1.073 27 L CA 1.827 56.763 54.840 0.160 0.000 0.745 27 L CB -0.717 41.395 42.059 0.087 0.000 0.894 27 L HN 0.085 nan 8.230 nan 0.000 0.432 28 K N -0.644 119.821 120.400 0.109 0.000 2.103 28 K HA -0.205 4.107 4.320 -0.014 0.000 0.207 28 K C 2.050 178.760 176.600 0.184 0.000 1.048 28 K CA 1.407 57.756 56.287 0.103 0.000 0.930 28 K CB -0.068 32.452 32.500 0.033 0.000 0.716 28 K HN 0.290 nan 8.250 nan 0.000 0.444 29 K N 0.342 120.831 120.400 0.148 0.000 2.057 29 K HA -0.081 4.231 4.320 -0.014 0.000 0.207 29 K C 1.749 178.455 176.600 0.176 0.000 1.049 29 K CA 1.106 57.477 56.287 0.141 0.000 0.931 29 K CB -0.086 32.474 32.500 0.101 0.000 0.714 29 K HN 0.162 nan 8.250 nan 0.000 0.440 30 N N 0.263 119.088 118.700 0.209 0.000 2.409 30 N HA -0.093 4.639 4.740 -0.014 0.000 0.179 30 N C 1.571 177.282 175.510 0.334 0.000 1.032 30 N CA 0.647 53.830 53.050 0.222 0.000 0.898 30 N CB -0.003 38.637 38.487 0.255 0.000 0.971 30 N HN 0.102 nan 8.380 nan 0.000 0.441 31 F N 2.613 122.686 119.950 0.205 0.000 2.074 31 F HA -0.013 4.506 4.527 -0.013 0.000 0.293 31 F C 2.051 177.964 175.800 0.188 0.000 1.116 31 F CA 1.189 59.318 58.000 0.213 0.000 1.212 31 F CB -0.335 38.756 39.000 0.153 0.000 0.998 31 F HN -0.071 nan 8.300 nan 0.000 0.471 32 N N 0.640 119.574 118.700 0.390 0.000 2.205 32 N HA -0.189 4.543 4.740 -0.014 0.000 0.186 32 N C 2.079 177.642 175.510 0.089 0.000 1.015 32 N CA 0.939 54.113 53.050 0.207 0.000 0.862 32 N CB -0.430 38.170 38.487 0.189 0.000 0.986 32 N HN 0.350 nan 8.380 nan 0.000 0.429 33 R N 0.611 121.178 120.500 0.112 0.000 2.088 33 R HA -0.111 4.221 4.340 -0.014 0.000 0.232 33 R C 1.871 178.212 176.300 0.069 0.000 1.136 33 R CA 1.513 57.695 56.100 0.137 0.000 0.926 33 R CB -0.685 29.647 30.300 0.052 0.000 0.837 33 R HN 0.454 nan 8.270 nan 0.000 0.429 34 H N -0.029 119.075 119.070 0.055 0.000 2.456 34 H HA -0.127 4.421 4.556 -0.014 0.000 0.296 34 H C 1.738 176.990 175.328 -0.126 0.000 1.079 34 H CA 1.220 57.239 56.048 -0.048 0.000 1.322 34 H CB -0.001 29.706 29.762 -0.092 0.000 1.388 34 H HN 0.086 nan 8.280 nan 0.000 0.538 35 L N -0.361 120.822 121.223 -0.067 0.000 2.141 35 L HA -0.126 4.206 4.340 -0.014 0.000 0.209 35 L C 2.132 178.947 176.870 -0.092 0.000 1.094 35 L CA 1.711 56.468 54.840 -0.138 0.000 0.763 35 L CB -0.312 41.634 42.059 -0.188 0.000 0.908 35 L HN 0.268 nan 8.230 nan 0.000 0.437 36 H N -1.610 117.323 119.070 -0.227 0.000 2.273 36 H HA -0.002 4.546 4.556 -0.014 0.000 0.311 36 H C 1.802 176.883 175.328 -0.412 0.000 1.057 36 H CA 2.081 57.900 56.048 -0.383 0.000 1.360 36 H CB -0.356 29.056 29.762 -0.583 0.000 1.414 36 H HN 0.236 nan 8.280 nan 0.000 0.516 37 F N -0.093 119.792 119.950 -0.108 0.000 2.259 37 F HA -0.062 4.457 4.527 -0.014 0.000 0.298 37 F C 2.527 178.224 175.800 -0.172 0.000 1.088 37 F CA 1.536 59.429 58.000 -0.178 0.000 1.358 37 F CB -0.522 38.404 39.000 -0.123 0.000 1.040 37 F HN 0.212 nan 8.300 nan 0.000 0.505 38 T N -0.757 113.789 114.554 -0.014 0.000 2.983 38 T HA 0.052 4.394 4.350 -0.014 0.000 0.250 38 T C 1.779 176.393 174.700 -0.144 0.000 1.037 38 T CA 0.519 62.559 62.100 -0.100 0.000 1.142 38 T CB -0.126 68.646 68.868 -0.161 0.000 0.876 38 T HN -0.046 nan 8.240 nan 0.000 0.455 39 L N 0.951 122.092 121.223 -0.137 0.000 2.298 39 L HA 0.293 4.625 4.340 -0.014 0.000 0.209 39 L C 0.828 177.607 176.870 -0.152 0.000 1.084 39 L CA 0.558 55.308 54.840 -0.150 0.000 0.816 39 L CB -0.617 41.358 42.059 -0.140 0.000 0.967 39 L HN 0.079 nan 8.230 nan 0.000 0.460 40 V N -0.140 119.665 119.914 -0.181 0.000 6.110 40 V HA -0.283 3.829 4.120 -0.014 0.000 0.322 40 V C 0.235 176.235 176.094 -0.156 0.000 0.518 40 V CA 0.744 62.916 62.300 -0.213 0.000 0.655 40 V CB -2.042 29.679 31.823 -0.171 0.000 0.283 40 V HN 0.387 nan 8.190 nan 0.000 0.990 41 K N 1.284 121.599 120.400 -0.141 0.000 2.443 41 K HA 0.756 5.068 4.320 -0.014 0.000 0.251 41 K C -0.500 176.061 176.600 -0.065 0.000 0.972 41 K CA -0.396 55.826 56.287 -0.108 0.000 0.833 41 K CB 2.037 34.454 32.500 -0.139 0.000 1.317 41 K HN 0.573 nan 8.250 nan 0.000 0.441 42 D N 0.416 120.790 120.400 -0.043 0.000 2.493 42 D HA 0.296 4.928 4.640 -0.014 0.000 0.239 42 D C 0.184 176.482 176.300 -0.003 0.000 1.049 42 D CA -0.507 53.492 54.000 -0.001 0.000 1.008 42 D CB 1.156 41.965 40.800 0.016 0.000 1.398 42 D HN 0.218 nan 8.370 nan 0.000 0.513 43 R N 0.563 121.089 120.500 0.043 0.000 2.117 43 R HA -0.096 4.236 4.340 -0.014 0.000 0.243 43 R C 1.435 177.793 176.300 0.096 0.000 1.143 43 R CA 1.129 57.295 56.100 0.109 0.000 0.968 43 R CB -1.019 29.349 30.300 0.114 0.000 0.863 43 R HN 0.593 nan 8.270 nan 0.000 0.444 44 N N 0.638 119.368 118.700 0.051 0.000 2.467 44 N HA -0.051 4.681 4.740 -0.014 0.000 0.184 44 N C 1.240 176.768 175.510 0.030 0.000 1.106 44 N CA 1.059 54.136 53.050 0.046 0.000 0.892 44 N CB 0.565 39.069 38.487 0.029 0.000 0.969 44 N HN 0.165 nan 8.380 nan 0.000 0.454 45 V N -3.393 116.523 119.914 0.004 0.000 3.398 45 V HA 0.489 4.601 4.120 -0.014 0.000 0.298 45 V C 0.587 176.644 176.094 -0.060 0.000 1.496 45 V CA -0.529 61.761 62.300 -0.017 0.000 1.044 45 V CB 0.002 31.811 31.823 -0.022 0.000 0.880 45 V HN -0.019 nan 8.190 nan 0.000 0.443 46 A N 2.039 124.782 122.820 -0.130 0.000 2.401 46 A HA 0.661 4.973 4.320 -0.014 0.000 0.259 46 A C 0.720 178.149 177.584 -0.259 0.000 1.103 46 A CA 0.655 52.502 52.037 -0.317 0.000 0.789 46 A CB 0.065 18.631 19.000 -0.723 0.000 1.035 46 A HN 0.747 nan 8.150 nan 0.000 0.491 47 T N 0.611 115.061 114.554 -0.174 0.000 2.897 47 T HA 0.495 4.836 4.350 -0.014 0.000 0.278 47 T C -2.124 172.637 174.700 0.101 0.000 0.981 47 T CA -1.645 60.457 62.100 0.003 0.000 0.973 47 T CB 0.757 69.642 68.868 0.029 0.000 1.092 47 T HN 0.276 nan 8.240 nan 0.000 0.543 48 P HA -0.081 nan 4.420 nan 0.000 0.218 48 P C 1.567 179.022 177.300 0.260 0.000 1.146 48 P CA 0.879 64.167 63.100 0.313 0.000 0.813 48 P CB 0.088 31.900 31.700 0.188 0.000 0.778 49 R N -0.243 120.355 120.500 0.164 0.000 2.090 49 R HA -0.102 4.230 4.340 -0.014 0.000 0.228 49 R C 1.649 178.138 176.300 0.315 0.000 1.110 49 R CA 1.560 57.783 56.100 0.205 0.000 0.973 49 R CB -0.553 29.806 30.300 0.098 0.000 0.869 49 R HN 0.085 nan 8.270 nan 0.000 0.440 50 D N -0.579 119.906 120.400 0.142 0.000 2.144 50 D HA -0.165 4.467 4.640 -0.014 0.000 0.200 50 D C 1.579 177.899 176.300 0.033 0.000 0.978 50 D CA 1.184 55.208 54.000 0.039 0.000 0.833 50 D CB -0.254 40.425 40.800 -0.201 0.000 0.961 50 D HN 0.265 nan 8.370 nan 0.000 0.470 51 Y N 0.233 120.621 120.300 0.146 0.000 2.181 51 Y HA -0.215 4.327 4.550 -0.013 0.000 0.288 51 Y C 2.340 178.367 175.900 0.212 0.000 1.146 51 Y CA 0.399 58.627 58.100 0.213 0.000 1.164 51 Y CB -1.028 37.611 38.460 0.297 0.000 0.982 51 Y HN 0.061 nan 8.280 nan 0.000 0.515 52 Y N -0.441 120.005 120.300 0.243 0.000 2.097 52 Y HA -0.290 4.251 4.550 -0.014 0.000 0.282 52 Y C 1.978 177.870 175.900 -0.012 0.000 1.152 52 Y CA 1.332 59.469 58.100 0.062 0.000 1.136 52 Y CB -1.174 37.214 38.460 -0.120 0.000 0.975 52 Y HN 0.040 nan 8.280 nan 0.000 0.498 53 F N 0.245 119.892 119.950 -0.505 0.000 2.171 53 F HA -0.094 4.425 4.527 -0.013 0.000 0.300 53 F C 2.645 178.252 175.800 -0.321 0.000 1.090 53 F CA 1.343 59.004 58.000 -0.565 0.000 1.293 53 F CB -1.056 37.801 39.000 -0.238 0.000 1.013 53 F HN 0.194 nan 8.300 nan 0.000 0.486 54 A N -0.238 122.542 122.820 -0.068 0.000 1.902 54 A HA -0.170 4.141 4.320 -0.014 0.000 0.217 54 A C 2.111 179.628 177.584 -0.112 0.000 1.181 54 A CA 1.574 53.486 52.037 -0.208 0.000 0.623 54 A CB -1.022 17.555 19.000 -0.706 0.000 0.818 54 A HN 0.322 nan 8.150 nan 0.000 0.443 55 L N -0.290 120.978 121.223 0.075 0.000 2.005 55 L HA -0.004 4.328 4.340 -0.014 0.000 0.207 55 L C 2.772 179.625 176.870 -0.028 0.000 1.072 55 L CA 2.129 57.099 54.840 0.217 0.000 0.744 55 L CB -0.991 41.244 42.059 0.294 0.000 0.895 55 L HN 0.356 nan 8.230 nan 0.000 0.433 56 A N -1.262 121.379 122.820 -0.297 0.000 1.927 56 A HA -0.296 4.015 4.320 -0.014 0.000 0.220 56 A C 2.245 179.424 177.584 -0.675 0.000 1.185 56 A CA 2.099 53.824 52.037 -0.521 0.000 0.639 56 A CB -1.025 17.396 19.000 -0.966 0.000 0.820 56 A HN 0.694 nan 8.150 nan 0.000 0.451 57 H N -1.069 117.699 119.070 -0.505 0.000 2.395 57 H HA -0.048 4.500 4.556 -0.014 0.000 0.299 57 H C 2.246 177.296 175.328 -0.464 0.000 1.070 57 H CA 1.763 57.444 56.048 -0.611 0.000 1.356 57 H CB -0.388 28.747 29.762 -1.045 0.000 1.401 57 H HN 0.483 nan 8.280 nan 0.000 0.524 58 T N 0.591 115.052 114.554 -0.154 0.000 2.821 58 T HA -0.063 4.279 4.350 -0.014 0.000 0.267 58 T C 2.375 177.245 174.700 0.284 0.000 1.046 58 T CA 0.802 63.007 62.100 0.175 0.000 1.139 58 T CB -0.218 68.827 68.868 0.294 0.000 0.871 58 T HN 0.063 nan 8.240 nan 0.000 0.454 59 V N 2.478 122.513 119.914 0.202 0.000 2.379 59 V HA -0.157 3.955 4.120 -0.014 0.000 0.245 59 V C 2.518 178.797 176.094 0.308 0.000 1.044 59 V CA 1.763 64.230 62.300 0.278 0.000 1.036 59 V CB -0.488 31.503 31.823 0.281 0.000 0.664 59 V HN 0.510 nan 8.190 nan 0.000 0.453 60 R N 0.421 121.024 120.500 0.171 0.000 2.237 60 R HA -0.075 4.256 4.340 -0.014 0.000 0.219 60 R C 1.511 177.912 176.300 0.169 0.000 1.080 60 R CA 1.451 57.672 56.100 0.201 0.000 0.995 60 R CB -0.884 29.452 30.300 0.060 0.000 0.875 60 R HN 0.346 nan 8.270 nan 0.000 0.462 61 D N 0.764 121.248 120.400 0.140 0.000 2.178 61 D HA -0.116 4.516 4.640 -0.014 0.000 0.202 61 D C 1.324 177.587 176.300 -0.061 0.000 0.974 61 D CA 1.085 55.117 54.000 0.053 0.000 0.841 61 D CB -0.207 40.608 40.800 0.024 0.000 0.953 61 D HN 0.493 nan 8.370 nan 0.000 0.478 62 H N -0.532 118.606 119.070 0.113 0.000 2.555 62 H HA 0.004 4.552 4.556 -0.013 0.000 0.269 62 H C 1.790 177.169 175.328 0.084 0.000 0.988 62 H CA 0.231 56.332 56.048 0.088 0.000 1.178 62 H CB 0.599 30.404 29.762 0.071 0.000 1.373 62 H HN 0.110 nan 8.280 nan 0.000 0.588 63 L N 0.920 122.249 121.223 0.178 0.000 2.357 63 L HA -0.043 4.289 4.340 -0.014 0.000 0.211 63 L C 2.450 179.445 176.870 0.208 0.000 1.075 63 L CA 0.550 55.482 54.840 0.154 0.000 0.830 63 L CB -0.336 41.813 42.059 0.149 0.000 0.996 63 L HN 0.014 nan 8.230 nan 0.000 0.467 64 V N -2.381 117.671 119.914 0.231 0.000 2.343 64 V HA -0.070 4.042 4.120 -0.014 0.000 0.247 64 V C 2.383 178.581 176.094 0.174 0.000 1.051 64 V CA 1.725 64.192 62.300 0.278 0.000 1.036 64 V CB -2.243 29.690 31.823 0.183 0.000 0.654 64 V HN 0.373 nan 8.190 nan 0.000 0.451 65 G N 0.055 108.914 108.800 0.098 0.000 2.440 65 G HA2 -0.236 3.716 3.960 -0.014 0.000 0.218 65 G HA3 -0.236 3.716 3.960 -0.014 0.000 0.218 65 G C 1.799 176.738 174.900 0.065 0.000 1.154 65 G CA 0.988 46.121 45.100 0.055 0.000 0.767 65 G HN 0.513 nan 8.290 nan 0.000 0.552 66 R N -1.445 119.108 120.500 0.089 0.000 2.092 66 R HA -0.065 4.267 4.340 -0.014 0.000 0.231 66 R C 2.264 178.643 176.300 0.131 0.000 1.119 66 R CA 1.076 57.219 56.100 0.072 0.000 0.970 66 R CB -0.347 29.985 30.300 0.054 0.000 0.864 66 R HN 0.481 nan 8.270 nan 0.000 0.440 67 W N 1.542 122.820 121.300 -0.036 0.000 2.358 67 W HA -0.081 4.571 4.660 -0.013 0.000 0.303 67 W C 1.684 178.173 176.519 -0.049 0.000 1.208 67 W CA 0.869 58.188 57.345 -0.042 0.000 1.274 67 W CB -0.580 28.870 29.460 -0.017 0.000 1.138 67 W HN -0.017 nan 8.180 nan 0.000 0.515 68 I N 0.958 121.539 120.570 0.017 0.000 2.142 68 I HA -0.338 3.824 4.170 -0.014 0.000 0.240 68 I C 2.731 178.818 176.117 -0.051 0.000 1.078 68 I CA 2.067 63.305 61.300 -0.104 0.000 1.343 68 I CB -0.493 37.460 38.000 -0.078 0.000 1.046 68 I HN -0.026 nan 8.210 nan 0.000 0.405 69 R N -0.071 120.420 120.500 -0.015 0.000 2.193 69 R HA -0.042 4.289 4.340 -0.014 0.000 0.213 69 R C 1.839 178.108 176.300 -0.052 0.000 1.055 69 R CA 1.419 57.509 56.100 -0.017 0.000 0.995 69 R CB -0.926 29.367 30.300 -0.012 0.000 0.893 69 R HN 0.183 nan 8.270 nan 0.000 0.459 70 T N 1.455 115.955 114.554 -0.090 0.000 2.770 70 T HA -0.071 4.271 4.350 -0.014 0.000 0.263 70 T C 1.733 176.186 174.700 -0.412 0.000 1.039 70 T CA 1.088 63.024 62.100 -0.274 0.000 1.142 70 T CB -0.091 68.672 68.868 -0.175 0.000 0.868 70 T HN 0.198 nan 8.240 nan 0.000 0.435 71 Q N 1.025 120.738 119.800 -0.145 0.000 2.135 71 Q HA -0.109 4.223 4.340 -0.014 0.000 0.204 71 Q C 2.295 178.311 176.000 0.027 0.000 0.981 71 Q CA 1.407 57.193 55.803 -0.029 0.000 0.856 71 Q CB -0.543 28.191 28.738 -0.007 0.000 0.902 71 Q HN 0.476 nan 8.270 nan 0.000 0.425 72 Q N -0.195 119.614 119.800 0.015 0.000 2.187 72 Q HA -0.136 4.196 4.340 -0.014 0.000 0.199 72 Q C 1.850 177.936 176.000 0.143 0.000 0.957 72 Q CA 1.600 57.464 55.803 0.101 0.000 0.857 72 Q CB -0.300 28.474 28.738 0.061 0.000 0.929 72 Q HN 0.576 nan 8.270 nan 0.000 0.453 73 H N -0.922 118.126 119.070 -0.037 0.000 2.319 73 H HA -0.189 4.359 4.556 -0.013 0.000 0.299 73 H C 0.967 176.331 175.328 0.060 0.000 1.092 73 H CA 2.358 58.380 56.048 -0.043 0.000 1.302 73 H CB -0.206 29.458 29.762 -0.164 0.000 1.373 73 H HN 0.349 nan 8.280 nan 0.000 0.497 74 Y N -1.276 119.078 120.300 0.091 0.000 2.293 74 Y HA -0.144 4.397 4.550 -0.014 0.000 0.291 74 Y C 2.322 178.268 175.900 0.077 0.000 1.137 74 Y CA 0.941 59.071 58.100 0.049 0.000 1.202 74 Y CB -1.176 37.372 38.460 0.148 0.000 0.990 74 Y HN 0.364 nan 8.280 nan 0.000 0.537 75 Y N 1.098 121.485 120.300 0.145 0.000 2.242 75 Y HA -0.157 4.385 4.550 -0.014 0.000 0.291 75 Y C 1.970 177.892 175.900 0.036 0.000 1.137 75 Y CA 1.546 59.706 58.100 0.101 0.000 1.181 75 Y CB -0.212 38.300 38.460 0.088 0.000 0.989 75 Y HN 0.179 nan 8.280 nan 0.000 0.527 76 E N -0.472 119.692 120.200 -0.060 0.000 2.076 76 E HA -0.133 4.209 4.350 -0.014 0.000 0.190 76 E C 1.831 178.328 176.600 -0.172 0.000 0.979 76 E CA 0.991 57.291 56.400 -0.167 0.000 0.807 76 E CB 0.070 29.717 29.700 -0.088 0.000 0.761 76 E HN 0.245 nan 8.360 nan 0.000 0.454 77 K N 0.725 121.013 120.400 -0.187 0.000 2.361 77 K HA -0.031 4.281 4.320 -0.014 0.000 0.196 77 K C -0.051 176.517 176.600 -0.054 0.000 1.039 77 K CA 0.391 56.599 56.287 -0.132 0.000 1.001 77 K CB -0.220 32.178 32.500 -0.169 0.000 0.795 77 K HN 0.059 nan 8.250 nan 0.000 0.495 78 D N 1.137 121.525 120.400 -0.020 0.000 3.038 78 D HA -0.110 4.522 4.640 -0.014 0.000 0.229 78 D C -2.478 173.847 176.300 0.041 0.000 1.182 78 D CA -0.022 53.995 54.000 0.028 0.000 0.852 78 D CB -0.386 40.405 40.800 -0.014 0.000 0.932 78 D HN 0.094 nan 8.370 nan 0.000 0.406 79 P HA 0.042 nan 4.420 nan 0.000 0.272 79 P C -0.207 177.100 177.300 0.012 0.000 1.254 79 P CA -0.376 62.729 63.100 0.010 0.000 0.795 79 P CB 0.459 32.129 31.700 -0.050 0.000 1.022 80 K N 1.288 121.688 120.400 0.000 0.000 2.350 80 K HA 0.201 4.512 4.320 -0.014 0.000 0.279 80 K C -0.340 176.207 176.600 -0.087 0.000 1.027 80 K CA -0.091 56.187 56.287 -0.014 0.000 0.969 80 K CB 0.304 32.806 32.500 0.003 0.000 0.954 80 K HN 0.214 nan 8.250 nan 0.000 0.474 81 R N 3.351 123.777 120.500 -0.124 0.000 2.637 81 R HA 0.415 4.747 4.340 -0.014 0.000 0.291 81 R C -0.822 175.231 176.300 -0.411 0.000 0.963 81 R CA -0.676 55.266 56.100 -0.264 0.000 0.901 81 R CB 1.078 31.226 30.300 -0.253 0.000 1.160 81 R HN 0.511 nan 8.270 nan 0.000 0.457 82 I N 3.672 123.941 120.570 -0.502 0.000 2.353 82 I HA 0.228 4.390 4.170 -0.014 0.000 0.293 82 I C -0.470 175.351 176.117 -0.492 0.000 0.992 82 I CA -0.997 59.961 61.300 -0.570 0.000 1.268 82 I CB 0.531 38.075 38.000 -0.761 0.000 1.387 82 I HN 0.511 nan 8.210 nan 0.000 0.478 83 Y N 5.823 126.091 120.300 -0.053 0.000 2.356 83 Y HA 0.278 4.820 4.550 -0.013 0.000 0.334 83 Y C -0.319 175.697 175.900 0.193 0.000 0.958 83 Y CA -0.665 57.519 58.100 0.141 0.000 1.196 83 Y CB 1.071 39.548 38.460 0.028 0.000 1.137 83 Y HN 0.395 nan 8.280 nan 0.000 0.485 84 Y N 4.611 125.094 120.300 0.304 0.000 2.535 84 Y HA 0.420 4.962 4.550 -0.013 0.000 0.349 84 Y C -1.020 175.149 175.900 0.449 0.000 0.992 84 Y CA -0.796 57.497 58.100 0.321 0.000 1.248 84 Y CB 0.156 38.812 38.460 0.326 0.000 1.124 84 Y HN 0.532 nan 8.280 nan 0.000 0.520 85 L N 4.953 126.271 121.223 0.159 0.000 2.290 85 L HA 0.452 4.784 4.340 -0.014 0.000 0.284 85 L C -0.141 176.760 176.870 0.053 0.000 1.078 85 L CA 0.266 55.235 54.840 0.216 0.000 0.815 85 L CB 1.259 43.393 42.059 0.126 0.000 1.162 85 L HN 0.592 nan 8.230 nan 0.000 0.435 86 S N 2.636 118.418 115.700 0.137 0.000 2.537 86 S HA 0.456 4.918 4.470 -0.014 0.000 0.270 86 S C 0.162 174.829 174.600 0.112 0.000 1.142 86 S CA -0.581 57.589 58.200 -0.049 0.000 0.870 86 S CB 0.986 63.946 63.200 -0.400 0.000 1.112 86 S HN 0.459 nan 8.310 nan 0.000 0.466 87 L N 2.519 123.858 121.223 0.193 0.000 2.599 87 L HA 0.444 4.776 4.340 -0.014 0.000 0.230 87 L C 0.484 177.531 176.870 0.295 0.000 1.141 87 L CA 1.026 56.043 54.840 0.295 0.000 0.877 87 L CB -0.112 42.142 42.059 0.326 0.000 1.009 87 L HN 0.662 nan 8.230 nan 0.000 0.447 88 E N -1.466 118.792 120.200 0.096 0.000 2.293 88 E HA 0.431 4.773 4.350 -0.014 0.000 0.270 88 E C -1.431 175.099 176.600 -0.116 0.000 0.879 88 E CA -0.533 55.914 56.400 0.078 0.000 0.756 88 E CB 2.002 31.710 29.700 0.013 0.000 1.208 88 E HN -0.193 nan 8.360 nan 0.000 0.428 89 F N 2.084 122.121 119.950 0.144 0.000 2.828 89 F HA 0.182 4.701 4.527 -0.014 0.000 0.355 89 F C -1.021 174.851 175.800 0.119 0.000 1.200 89 F CA -0.659 57.422 58.000 0.133 0.000 1.062 89 F CB 0.971 40.045 39.000 0.123 0.000 1.351 89 F HN 0.463 nan 8.300 nan 0.000 0.504 90 Y N 5.401 125.772 120.300 0.120 0.000 2.714 90 Y HA 0.233 4.775 4.550 -0.013 0.000 0.333 90 Y C 1.014 176.924 175.900 0.015 0.000 1.220 90 Y CA -1.097 57.021 58.100 0.030 0.000 1.513 90 Y CB 0.380 38.840 38.460 0.001 0.000 1.435 90 Y HN 0.523 nan 8.280 nan 0.000 0.489 91 M N 1.217 120.921 119.600 0.174 0.000 2.254 91 M HA 0.092 4.563 4.480 -0.014 0.000 0.265 91 M C 1.571 177.832 176.300 -0.065 0.000 1.066 91 M CA 1.117 56.433 55.300 0.028 0.000 1.123 91 M CB -1.326 31.264 32.600 -0.017 0.000 1.388 91 M HN 0.667 nan 8.290 nan 0.000 0.425 92 G N 1.166 109.933 108.800 -0.055 0.000 2.598 92 G HA2 -0.265 3.687 3.960 -0.014 0.000 0.244 92 G HA3 -0.265 3.687 3.960 -0.014 0.000 0.244 92 G C -0.290 174.544 174.900 -0.110 0.000 1.302 92 G CA -0.320 44.709 45.100 -0.120 0.000 0.903 92 G HN 0.460 nan 8.290 nan 0.000 0.575 93 R N -0.699 119.722 120.500 -0.132 0.000 2.615 93 R HA 0.530 4.862 4.340 -0.014 0.000 0.270 93 R C 0.864 177.041 176.300 -0.204 0.000 1.081 93 R CA 0.343 56.375 56.100 -0.114 0.000 1.154 93 R CB 0.491 30.728 30.300 -0.106 0.000 1.063 93 R HN 0.517 nan 8.270 nan 0.000 0.519 94 T N 1.083 115.465 114.554 -0.287 0.000 3.010 94 T HA 0.012 4.354 4.350 -0.014 0.000 0.257 94 T C 1.308 175.623 174.700 -0.641 0.000 1.020 94 T CA -0.205 61.530 62.100 -0.608 0.000 0.938 94 T CB 0.198 68.402 68.868 -1.107 0.000 1.049 94 T HN 0.286 nan 8.240 nan 0.000 0.522 95 L N 1.775 122.856 121.223 -0.237 0.000 2.007 95 L HA 0.122 4.454 4.340 -0.014 0.000 0.205 95 L C 2.478 179.311 176.870 -0.062 0.000 1.073 95 L CA 1.962 56.791 54.840 -0.018 0.000 0.744 95 L CB -0.656 41.570 42.059 0.278 0.000 0.898 95 L HN 0.143 nan 8.230 nan 0.000 0.435 96 Q N -0.586 119.173 119.800 -0.069 0.000 2.020 96 Q HA -0.252 4.079 4.340 -0.014 0.000 0.202 96 Q C 2.251 178.184 176.000 -0.112 0.000 0.982 96 Q CA 2.047 57.807 55.803 -0.070 0.000 0.838 96 Q CB -0.369 28.321 28.738 -0.080 0.000 0.899 96 Q HN 0.656 nan 8.270 nan 0.000 0.423 97 N N -1.163 117.434 118.700 -0.170 0.000 2.094 97 N HA -0.180 4.551 4.740 -0.014 0.000 0.191 97 N C 1.402 176.813 175.510 -0.166 0.000 1.023 97 N CA 1.889 54.831 53.050 -0.180 0.000 0.857 97 N CB -0.012 38.333 38.487 -0.237 0.000 1.013 97 N HN 0.267 nan 8.380 nan 0.000 0.426 98 T N 1.125 115.544 114.554 -0.224 0.000 2.788 98 T HA -0.072 4.270 4.350 -0.014 0.000 0.268 98 T C 2.022 176.670 174.700 -0.088 0.000 1.044 98 T CA 1.091 63.079 62.100 -0.187 0.000 1.139 98 T CB -0.074 68.617 68.868 -0.295 0.000 0.867 98 T HN 0.277 nan 8.240 nan 0.000 0.454 99 M N 0.409 119.973 119.600 -0.060 0.000 2.117 99 M HA -0.097 4.375 4.480 -0.014 0.000 0.262 99 M C 2.418 178.691 176.300 -0.046 0.000 1.065 99 M CA 1.247 56.524 55.300 -0.037 0.000 1.114 99 M CB -0.574 32.015 32.600 -0.019 0.000 1.361 99 M HN 0.090 nan 8.290 nan 0.000 0.408 100 V N 0.977 120.868 119.914 -0.039 0.000 2.233 100 V HA -0.295 3.817 4.120 -0.014 0.000 0.247 100 V C 1.790 177.881 176.094 -0.006 0.000 1.050 100 V CA 2.119 64.421 62.300 0.003 0.000 1.010 100 V CB -0.885 30.949 31.823 0.019 0.000 0.637 100 V HN 0.473 nan 8.190 nan 0.000 0.444 101 N N -0.314 118.375 118.700 -0.018 0.000 2.453 101 N HA -0.069 4.663 4.740 -0.014 0.000 0.183 101 N C 1.138 176.548 175.510 -0.167 0.000 1.041 101 N CA 0.742 53.749 53.050 -0.072 0.000 0.900 101 N CB -0.185 38.282 38.487 -0.033 0.000 0.961 101 N HN 0.296 nan 8.380 nan 0.000 0.443 102 L N -0.552 120.602 121.223 -0.115 0.000 2.616 102 L HA 0.388 4.720 4.340 -0.014 0.000 0.229 102 L C 0.767 177.571 176.870 -0.110 0.000 1.110 102 L CA 0.040 54.820 54.840 -0.100 0.000 0.884 102 L CB -0.385 41.647 42.059 -0.046 0.000 1.115 102 L HN 0.154 nan 8.230 nan 0.000 0.481 103 A N -1.039 121.708 122.820 -0.121 0.000 3.028 103 A HA -0.218 4.094 4.320 -0.014 0.000 0.248 103 A C 1.225 178.763 177.584 -0.075 0.000 1.316 103 A CA 1.200 53.176 52.037 -0.102 0.000 1.003 103 A CB -2.136 16.796 19.000 -0.112 0.000 1.148 103 A HN 0.277 nan 8.150 nan 0.000 0.828 104 L N -0.652 120.527 121.223 -0.075 0.000 2.607 104 L HA 0.096 4.428 4.340 -0.014 0.000 0.228 104 L C 2.178 179.016 176.870 -0.053 0.000 1.123 104 L CA 0.386 55.178 54.840 -0.081 0.000 0.890 104 L CB -0.184 41.807 42.059 -0.114 0.000 1.103 104 L HN 0.467 nan 8.230 nan 0.000 0.468 105 E N 1.008 121.186 120.200 -0.037 0.000 2.065 105 E HA -0.251 4.091 4.350 -0.014 0.000 0.201 105 E C 1.456 178.044 176.600 -0.021 0.000 1.016 105 E CA 1.530 57.916 56.400 -0.023 0.000 0.818 105 E CB 0.040 29.729 29.700 -0.018 0.000 0.749 105 E HN 0.478 nan 8.360 nan 0.000 0.453 106 N N 0.004 118.690 118.700 -0.024 0.000 2.216 106 N HA -0.060 4.671 4.740 -0.014 0.000 0.183 106 N C 1.592 177.087 175.510 -0.024 0.000 1.017 106 N CA 1.144 54.180 53.050 -0.024 0.000 0.861 106 N CB -0.294 38.178 38.487 -0.024 0.000 0.986 106 N HN 0.136 nan 8.380 nan 0.000 0.428 107 A N 0.357 123.159 122.820 -0.029 0.000 1.877 107 A HA -0.131 4.181 4.320 -0.014 0.000 0.216 107 A C 2.553 180.124 177.584 -0.023 0.000 1.186 107 A CA 1.344 53.365 52.037 -0.027 0.000 0.620 107 A CB -1.001 17.975 19.000 -0.041 0.000 0.822 107 A HN 0.441 nan 8.150 nan 0.000 0.443 108 C N -0.628 118.656 119.300 -0.027 0.000 2.435 108 C HA -0.066 4.386 4.460 -0.014 0.000 0.279 108 C C 2.411 177.395 174.990 -0.010 0.000 1.321 108 C CA 0.852 59.861 59.018 -0.014 0.000 1.752 108 C CB -1.162 26.580 27.740 0.003 0.000 1.959 108 C HN 0.628 nan 8.230 nan 0.000 0.500 109 D N 0.800 121.197 120.400 -0.006 0.000 2.084 109 D HA -0.137 4.494 4.640 -0.014 0.000 0.194 109 D C 2.151 178.465 176.300 0.023 0.000 0.990 109 D CA 1.562 55.564 54.000 0.003 0.000 0.826 109 D CB -0.254 40.539 40.800 -0.011 0.000 0.971 109 D HN 0.430 nan 8.370 nan 0.000 0.453 110 E N 0.846 121.054 120.200 0.013 0.000 2.012 110 E HA -0.123 4.219 4.350 -0.014 0.000 0.197 110 E C 1.937 178.577 176.600 0.066 0.000 1.007 110 E CA 1.955 58.382 56.400 0.046 0.000 0.816 110 E CB -0.838 28.872 29.700 0.017 0.000 0.762 110 E HN 0.171 nan 8.360 nan 0.000 0.451 111 A N -0.407 122.417 122.820 0.006 0.000 1.927 111 A HA -0.273 4.039 4.320 -0.014 0.000 0.220 111 A C 2.518 180.029 177.584 -0.121 0.000 1.185 111 A CA 2.648 54.660 52.037 -0.041 0.000 0.639 111 A CB -1.282 17.691 19.000 -0.044 0.000 0.820 111 A HN 0.431 nan 8.150 nan 0.000 0.451 112 T N -2.152 112.328 114.554 -0.124 0.000 2.812 112 T HA -0.084 4.258 4.350 -0.014 0.000 0.264 112 T C 1.751 176.366 174.700 -0.141 0.000 1.042 112 T CA 1.456 63.431 62.100 -0.209 0.000 1.140 112 T CB -0.354 68.438 68.868 -0.127 0.000 0.870 112 T HN 0.606 nan 8.240 nan 0.000 0.445 113 Y N 1.956 122.179 120.300 -0.129 0.000 2.089 113 Y HA -0.087 4.455 4.550 -0.013 0.000 0.282 113 Y C 2.274 178.113 175.900 -0.101 0.000 1.139 113 Y CA 1.385 59.427 58.100 -0.098 0.000 1.123 113 Y CB -0.493 37.927 38.460 -0.066 0.000 0.980 113 Y HN 0.108 nan 8.280 nan 0.000 0.493 114 Q N -0.387 119.335 119.800 -0.130 0.000 2.631 114 Q HA -0.102 4.230 4.340 -0.014 0.000 0.220 114 Q C 0.455 176.335 176.000 -0.201 0.000 0.978 114 Q CA 0.698 56.401 55.803 -0.166 0.000 0.961 114 Q CB -0.186 28.538 28.738 -0.023 0.000 0.988 114 Q HN 0.457 nan 8.270 nan 0.000 0.567 115 L N -2.659 118.408 121.223 -0.260 0.000 3.515 115 L HA 0.262 4.594 4.340 -0.014 0.000 0.322 115 L C 0.741 177.447 176.870 -0.274 0.000 1.225 115 L CA 1.047 55.738 54.840 -0.249 0.000 1.104 115 L CB 1.083 42.934 42.059 -0.346 0.000 1.506 115 L HN 0.103 nan 8.230 nan 0.000 0.624 116 G N 0.098 108.709 108.800 -0.315 0.000 2.176 116 G HA2 -0.206 3.746 3.960 -0.014 0.000 0.232 116 G HA3 -0.206 3.746 3.960 -0.014 0.000 0.232 116 G C 0.093 174.846 174.900 -0.246 0.000 0.986 116 G CA 0.405 45.334 45.100 -0.285 0.000 0.643 116 G HN 0.262 nan 8.290 nan 0.000 0.522 117 L N -0.105 120.967 121.223 -0.251 0.000 2.335 117 L HA 0.804 5.136 4.340 -0.014 0.000 0.268 117 L C -0.167 176.653 176.870 -0.083 0.000 1.016 117 L CA -1.180 53.543 54.840 -0.194 0.000 0.805 117 L CB 1.168 43.065 42.059 -0.269 0.000 1.311 117 L HN 0.063 nan 8.230 nan 0.000 0.456 118 D N -0.161 120.221 120.400 -0.031 0.000 2.308 118 D HA 0.322 4.954 4.640 -0.014 0.000 0.242 118 D C 0.595 176.909 176.300 0.023 0.000 1.059 118 D CA -0.401 53.610 54.000 0.019 0.000 0.830 118 D CB 1.574 42.392 40.800 0.030 0.000 1.161 118 D HN 0.425 nan 8.370 nan 0.000 0.494 119 M N 2.023 121.641 119.600 0.030 0.000 2.080 119 M HA -0.162 4.310 4.480 -0.014 0.000 0.260 119 M C 1.446 177.774 176.300 0.046 0.000 1.068 119 M CA 1.612 56.937 55.300 0.042 0.000 1.109 119 M CB -0.097 32.524 32.600 0.036 0.000 1.342 119 M HN 0.578 nan 8.290 nan 0.000 0.405 120 E N -0.125 120.095 120.200 0.034 0.000 2.130 120 E HA -0.236 4.106 4.350 -0.014 0.000 0.196 120 E C 1.806 178.424 176.600 0.030 0.000 0.998 120 E CA 1.275 57.693 56.400 0.029 0.000 0.806 120 E CB -0.210 29.506 29.700 0.028 0.000 0.738 120 E HN 0.585 nan 8.360 nan 0.000 0.459 121 E N 0.270 120.491 120.200 0.035 0.000 2.058 121 E HA -0.220 4.122 4.350 -0.014 0.000 0.194 121 E C 2.015 178.638 176.600 0.039 0.000 0.997 121 E CA 0.918 57.339 56.400 0.035 0.000 0.801 121 E CB 0.013 29.738 29.700 0.043 0.000 0.746 121 E HN 0.097 nan 8.360 nan 0.000 0.450 122 L N 1.093 122.362 121.223 0.076 0.000 2.005 122 L HA -0.152 4.180 4.340 -0.014 0.000 0.207 122 L C 2.095 178.993 176.870 0.046 0.000 1.072 122 L CA 1.659 56.581 54.840 0.137 0.000 0.744 122 L CB -0.723 41.473 42.059 0.229 0.000 0.895 122 L HN 0.067 nan 8.230 nan 0.000 0.433 123 E N -0.537 119.690 120.200 0.045 0.000 2.097 123 E HA -0.228 4.114 4.350 -0.014 0.000 0.196 123 E C 1.876 178.410 176.600 -0.109 0.000 1.000 123 E CA 1.130 57.520 56.400 -0.018 0.000 0.804 123 E CB -0.044 29.658 29.700 0.003 0.000 0.740 123 E HN 0.388 nan 8.360 nan 0.000 0.454 124 E N 0.151 120.307 120.200 -0.072 0.000 2.409 124 E HA -0.118 4.224 4.350 -0.014 0.000 0.198 124 E C 1.801 178.315 176.600 -0.143 0.000 1.024 124 E CA 0.542 56.897 56.400 -0.076 0.000 0.861 124 E CB 0.015 29.707 29.700 -0.013 0.000 0.788 124 E HN 0.399 nan 8.360 nan 0.000 0.521 125 I N 0.748 121.171 120.570 -0.245 0.000 2.876 125 I HA -0.094 4.067 4.170 -0.014 0.000 0.264 125 I C 1.326 177.111 176.117 -0.553 0.000 1.204 125 I CA 0.201 61.300 61.300 -0.335 0.000 1.485 125 I CB 0.188 38.020 38.000 -0.280 0.000 1.103 125 I HN -0.037 nan 8.210 nan 0.000 0.446 126 E N 2.335 122.070 120.200 -0.775 0.000 2.376 126 E HA -0.056 4.286 4.350 -0.014 0.000 0.266 126 E C -0.020 176.449 176.600 -0.217 0.000 1.009 126 E CA -0.123 55.865 56.400 -0.686 0.000 0.902 126 E CB 0.605 29.971 29.700 -0.556 0.000 0.972 126 E HN 0.108 nan 8.360 nan 0.000 0.439 127 E N 3.013 123.186 120.200 -0.046 0.000 2.343 127 E HA 0.081 4.423 4.350 -0.014 0.000 0.269 127 E C -1.193 175.481 176.600 0.123 0.000 1.047 127 E CA -0.448 56.006 56.400 0.090 0.000 0.874 127 E CB 0.809 30.640 29.700 0.220 0.000 1.033 127 E HN 0.368 nan 8.360 nan 0.000 0.409 128 D N 1.989 122.440 120.400 0.084 0.000 2.390 128 D HA 0.256 4.888 4.640 -0.014 0.000 0.249 128 D C -0.804 175.503 176.300 0.011 0.000 1.144 128 D CA 0.136 54.156 54.000 0.033 0.000 0.880 128 D CB 1.098 41.900 40.800 0.002 0.000 1.182 128 D HN 0.459 nan 8.370 nan 0.000 0.451 129 A N 2.467 125.243 122.820 -0.073 0.000 2.457 129 A HA 0.450 4.762 4.320 -0.014 0.000 0.298 129 A C 1.162 178.548 177.584 -0.331 0.000 1.288 129 A CA -0.396 51.368 52.037 -0.455 0.000 0.956 129 A CB -0.229 18.543 19.000 -0.381 0.000 1.135 129 A HN 0.610 nan 8.150 nan 0.000 0.535 130 G N 2.308 110.870 108.800 -0.396 0.000 3.639 130 G HA2 0.384 4.336 3.960 -0.014 0.000 0.279 130 G HA3 0.384 4.336 3.960 -0.014 0.000 0.279 130 G C 0.356 175.047 174.900 -0.349 0.000 1.312 130 G CA -0.321 44.658 45.100 -0.202 0.000 1.355 130 G HN 0.714 nan 8.290 nan 0.000 0.595 131 L N 1.323 122.375 121.223 -0.284 0.000 2.922 131 L HA 0.377 4.709 4.340 -0.014 0.000 0.244 131 L C 1.018 177.788 176.870 -0.168 0.000 1.324 131 L CA -0.212 54.547 54.840 -0.135 0.000 1.172 131 L CB -0.445 41.653 42.059 0.065 0.000 1.545 131 L HN 0.263 nan 8.230 nan 0.000 0.438 132 G N -1.222 107.247 108.800 -0.551 0.000 2.646 132 G HA2 0.220 4.172 3.960 -0.014 0.000 0.291 132 G HA3 0.220 4.172 3.960 -0.014 0.000 0.291 132 G C -0.211 174.153 174.900 -0.894 0.000 1.445 132 G CA -0.474 44.253 45.100 -0.622 0.000 0.814 132 G HN -0.045 nan 8.290 nan 0.000 0.495 133 N N -0.742 117.691 118.700 -0.445 0.000 2.428 133 N HA 0.190 4.922 4.740 -0.014 0.000 0.181 133 N C 1.204 176.690 175.510 -0.040 0.000 1.028 133 N CA 1.192 54.101 53.050 -0.236 0.000 0.877 133 N CB 1.311 39.776 38.487 -0.037 0.000 1.064 133 N HN 0.736 nan 8.380 nan 0.000 0.434 134 G N -0.505 108.348 108.800 0.089 0.000 3.349 134 G HA2 0.242 4.194 3.960 -0.014 0.000 0.155 134 G HA3 0.242 4.194 3.960 -0.014 0.000 0.155 134 G C 0.737 175.762 174.900 0.210 0.000 1.219 134 G CA 0.378 45.626 45.100 0.247 0.000 1.356 134 G HN 0.206 nan 8.290 nan 0.000 0.687 135 G N 0.487 109.348 108.800 0.102 0.000 2.414 135 G HA2 -0.015 3.937 3.960 -0.014 0.000 0.215 135 G HA3 -0.015 3.937 3.960 -0.014 0.000 0.215 135 G C 1.896 176.799 174.900 0.006 0.000 1.188 135 G CA 1.296 46.425 45.100 0.048 0.000 0.783 135 G HN 0.751 nan 8.290 nan 0.000 0.537 136 L N 0.703 121.892 121.223 -0.057 0.000 2.043 136 L HA 0.008 4.340 4.340 -0.014 0.000 0.212 136 L C 2.712 179.516 176.870 -0.111 0.000 1.075 136 L CA 2.214 56.930 54.840 -0.206 0.000 0.752 136 L CB -0.532 41.294 42.059 -0.388 0.000 0.891 136 L HN 0.244 nan 8.230 nan 0.000 0.432 137 G N -0.897 107.894 108.800 -0.014 0.000 2.403 137 G HA2 -0.205 3.747 3.960 -0.014 0.000 0.216 137 G HA3 -0.205 3.747 3.960 -0.014 0.000 0.216 137 G C 1.682 176.661 174.900 0.131 0.000 1.154 137 G CA 0.171 45.288 45.100 0.029 0.000 0.784 137 G HN 0.181 nan 8.290 nan 0.000 0.538 138 R N 0.040 120.657 120.500 0.194 0.000 2.092 138 R HA 0.086 4.418 4.340 -0.014 0.000 0.231 138 R C 2.501 178.814 176.300 0.022 0.000 1.119 138 R CA 0.770 56.951 56.100 0.135 0.000 0.970 138 R CB -0.953 29.385 30.300 0.062 0.000 0.864 138 R HN 0.400 nan 8.270 nan 0.000 0.440 139 L N 0.766 121.936 121.223 -0.088 0.000 2.012 139 L HA -0.154 4.178 4.340 -0.014 0.000 0.210 139 L C 2.276 178.832 176.870 -0.524 0.000 1.073 139 L CA 2.299 56.945 54.840 -0.324 0.000 0.748 139 L CB -0.756 41.113 42.059 -0.317 0.000 0.891 139 L HN 0.199 nan 8.230 nan 0.000 0.431 140 A N -0.626 122.022 122.820 -0.285 0.000 1.917 140 A HA -0.228 4.083 4.320 -0.014 0.000 0.219 140 A C 2.424 180.046 177.584 0.064 0.000 1.182 140 A CA 2.149 54.094 52.037 -0.152 0.000 0.633 140 A CB -1.226 17.658 19.000 -0.194 0.000 0.819 140 A HN 0.597 nan 8.150 nan 0.000 0.448 141 A N -1.541 121.359 122.820 0.133 0.000 1.969 141 A HA -0.098 4.214 4.320 -0.014 0.000 0.218 141 A C 2.269 179.922 177.584 0.115 0.000 1.169 141 A CA 1.559 53.700 52.037 0.173 0.000 0.635 141 A CB -1.060 18.035 19.000 0.157 0.000 0.810 141 A HN 0.598 nan 8.150 nan 0.000 0.445 142 C N -1.583 117.783 119.300 0.110 0.000 2.457 142 C HA 0.031 4.483 4.460 -0.014 0.000 0.278 142 C C 2.378 177.538 174.990 0.283 0.000 1.309 142 C CA 0.342 59.469 59.018 0.182 0.000 1.735 142 C CB -1.483 26.389 27.740 0.219 0.000 1.992 142 C HN 0.615 nan 8.230 nan 0.000 0.493 143 F N 0.831 120.763 119.950 -0.030 0.000 2.102 143 F HA -0.085 4.434 4.527 -0.014 0.000 0.298 143 F C 2.110 177.845 175.800 -0.107 0.000 1.105 143 F CA 1.069 58.995 58.000 -0.124 0.000 1.239 143 F CB -1.499 37.280 39.000 -0.368 0.000 0.991 143 F HN 0.084 nan 8.300 nan 0.000 0.474 144 L N 0.354 121.654 121.223 0.129 0.000 2.013 144 L HA -0.261 4.070 4.340 -0.014 0.000 0.212 144 L C 2.419 179.301 176.870 0.020 0.000 1.073 144 L CA 1.991 56.861 54.840 0.049 0.000 0.753 144 L CB -1.255 40.831 42.059 0.045 0.000 0.890 144 L HN 0.195 nan 8.230 nan 0.000 0.432 145 D N -1.031 119.389 120.400 0.033 0.000 2.106 145 D HA -0.189 4.442 4.640 -0.014 0.000 0.191 145 D C 1.942 178.260 176.300 0.029 0.000 0.997 145 D CA 1.827 55.836 54.000 0.013 0.000 0.834 145 D CB 0.345 41.154 40.800 0.015 0.000 0.956 145 D HN 0.335 nan 8.370 nan 0.000 0.448 146 S N -0.134 115.600 115.700 0.057 0.000 2.402 146 S HA -0.067 4.395 4.470 -0.014 0.000 0.229 146 S C 2.114 176.723 174.600 0.015 0.000 1.021 146 S CA 0.713 58.935 58.200 0.037 0.000 0.974 146 S CB -0.100 63.123 63.200 0.038 0.000 0.800 146 S HN 0.360 nan 8.310 nan 0.000 0.484 147 M N 0.942 120.545 119.600 0.005 0.000 2.229 147 M HA -0.050 4.422 4.480 -0.014 0.000 0.264 147 M C 2.434 178.732 176.300 -0.005 0.000 1.063 147 M CA 1.265 56.563 55.300 -0.003 0.000 1.114 147 M CB -0.516 32.065 32.600 -0.031 0.000 1.387 147 M HN 0.396 nan 8.290 nan 0.000 0.420 148 A N -0.123 122.692 122.820 -0.007 0.000 1.874 148 A HA -0.092 4.220 4.320 -0.014 0.000 0.214 148 A C 2.172 179.768 177.584 0.020 0.000 1.189 148 A CA 1.819 53.855 52.037 -0.002 0.000 0.615 148 A CB -1.048 17.936 19.000 -0.027 0.000 0.830 148 A HN 0.368 nan 8.150 nan 0.000 0.443 149 T N 0.079 114.651 114.554 0.029 0.000 2.803 149 T HA -0.091 4.251 4.350 -0.014 0.000 0.269 149 T C 1.082 175.809 174.700 0.047 0.000 1.052 149 T CA 1.267 63.398 62.100 0.053 0.000 1.136 149 T CB -0.211 68.696 68.868 0.066 0.000 0.864 149 T HN 0.153 nan 8.240 nan 0.000 0.467 150 L N 0.393 121.639 121.223 0.038 0.000 2.653 150 L HA 0.391 4.723 4.340 -0.014 0.000 0.231 150 L C 1.613 178.511 176.870 0.047 0.000 1.153 150 L CA 0.151 55.016 54.840 0.041 0.000 0.933 150 L CB -0.799 41.283 42.059 0.039 0.000 1.175 150 L HN 0.364 nan 8.230 nan 0.000 0.473 151 G N 0.289 109.118 108.800 0.050 0.000 2.273 151 G HA2 -0.279 3.673 3.960 -0.014 0.000 0.280 151 G HA3 -0.279 3.673 3.960 -0.014 0.000 0.280 151 G C 0.223 175.167 174.900 0.075 0.000 1.047 151 G CA 0.208 45.353 45.100 0.075 0.000 0.869 151 G HN 0.298 nan 8.290 nan 0.000 0.502 152 L N -0.286 120.951 121.223 0.022 0.000 2.357 152 L HA 0.651 4.983 4.340 -0.014 0.000 0.273 152 L C 1.059 177.810 176.870 -0.199 0.000 1.080 152 L CA -0.507 54.303 54.840 -0.049 0.000 0.803 152 L CB 1.737 43.778 42.059 -0.030 0.000 1.174 152 L HN 0.282 nan 8.230 nan 0.000 0.443 153 A N 2.839 125.406 122.820 -0.422 0.000 2.807 153 A HA 0.629 4.941 4.320 -0.014 0.000 0.307 153 A C 0.085 177.349 177.584 -0.533 0.000 1.532 153 A CA -0.168 51.350 52.037 -0.865 0.000 1.215 153 A CB -0.408 17.933 19.000 -1.098 0.000 1.127 153 A HN 0.720 nan 8.150 nan 0.000 0.543 154 A N 1.998 124.533 122.820 -0.475 0.000 2.401 154 A HA 0.841 5.152 4.320 -0.014 0.000 0.310 154 A C -1.382 175.972 177.584 -0.383 0.000 1.075 154 A CA -0.480 51.355 52.037 -0.337 0.000 0.746 154 A CB 1.044 19.905 19.000 -0.232 0.000 1.277 154 A HN 0.644 nan 8.150 nan 0.000 0.425 155 Y N 0.030 120.279 120.300 -0.086 0.000 2.386 155 Y HA 0.553 5.095 4.550 -0.013 0.000 0.334 155 Y C 0.717 176.735 175.900 0.197 0.000 1.002 155 Y CA -0.784 57.344 58.100 0.046 0.000 1.068 155 Y CB 2.184 40.773 38.460 0.215 0.000 1.203 155 Y HN 0.883 nan 8.280 nan 0.000 0.443 156 G N 2.021 110.931 108.800 0.183 0.000 2.372 156 G HA2 0.457 4.409 3.960 -0.014 0.000 0.283 156 G HA3 0.457 4.409 3.960 -0.014 0.000 0.283 156 G C -1.721 173.237 174.900 0.096 0.000 1.177 156 G CA -0.229 45.036 45.100 0.276 0.000 0.842 156 G HN 0.503 nan 8.290 nan 0.000 0.503 157 Y N 0.532 121.075 120.300 0.404 0.000 2.425 157 Y HA 0.651 5.193 4.550 -0.014 0.000 0.344 157 Y C 0.726 176.932 175.900 0.510 0.000 0.969 157 Y CA 0.310 58.601 58.100 0.318 0.000 1.052 157 Y CB 2.811 41.487 38.460 0.360 0.000 1.215 157 Y HN 0.928 nan 8.280 nan 0.000 0.451 158 G N 2.021 111.133 108.800 0.520 0.000 2.588 158 G HA2 0.491 4.443 3.960 -0.014 0.000 0.281 158 G HA3 0.491 4.443 3.960 -0.014 0.000 0.281 158 G C -1.832 173.282 174.900 0.357 0.000 1.223 158 G CA -0.822 44.592 45.100 0.524 0.000 0.871 158 G HN 0.435 nan 8.290 nan 0.000 0.492 159 I N 0.674 121.349 120.570 0.174 0.000 2.441 159 I HA 0.442 4.604 4.170 -0.014 0.000 0.295 159 I C 0.233 176.263 176.117 -0.144 0.000 0.994 159 I CA -0.747 60.546 61.300 -0.011 0.000 1.144 159 I CB 2.149 39.930 38.000 -0.366 0.000 1.314 159 I HN 0.383 nan 8.210 nan 0.000 0.445 160 R N 5.921 126.428 120.500 0.011 0.000 2.419 160 R HA 0.243 4.575 4.340 -0.014 0.000 0.305 160 R C -1.402 174.956 176.300 0.098 0.000 1.242 160 R CA -0.368 55.772 56.100 0.066 0.000 1.105 160 R CB 0.009 30.303 30.300 -0.010 0.000 1.116 160 R HN 0.397 nan 8.270 nan 0.000 0.523 161 Y N 1.943 122.407 120.300 0.274 0.000 2.335 161 Y HA 0.028 4.570 4.550 -0.014 0.000 0.331 161 Y C 1.370 177.458 175.900 0.314 0.000 1.094 161 Y CA -0.187 58.063 58.100 0.251 0.000 1.253 161 Y CB 1.161 39.751 38.460 0.217 0.000 1.203 161 Y HN 0.574 nan 8.280 nan 0.000 0.508 162 E N 2.013 122.391 120.200 0.297 0.000 2.072 162 E HA -0.107 4.234 4.350 -0.014 0.000 0.191 162 E C -0.675 175.807 176.600 -0.197 0.000 0.985 162 E CA 1.055 57.415 56.400 -0.068 0.000 0.801 162 E CB 0.059 29.588 29.700 -0.285 0.000 0.750 162 E HN 0.393 nan 8.360 nan 0.000 0.452 163 F N 0.224 120.383 119.950 0.347 0.000 2.382 163 F HA 0.363 4.882 4.527 -0.014 0.000 0.361 163 F C 0.908 176.783 175.800 0.126 0.000 1.109 163 F CA -0.871 57.284 58.000 0.259 0.000 1.031 163 F CB 1.462 40.551 39.000 0.148 0.000 1.234 163 F HN -0.122 nan 8.300 nan 0.000 0.445 164 G N 2.135 111.024 108.800 0.149 0.000 2.608 164 G HA2 0.184 4.136 3.960 -0.014 0.000 0.212 164 G HA3 0.184 4.136 3.960 -0.014 0.000 0.212 164 G C -0.360 174.497 174.900 -0.073 0.000 1.572 164 G CA -0.389 44.655 45.100 -0.093 0.000 1.064 164 G HN 0.491 nan 8.290 nan 0.000 0.556 165 I N 0.773 121.242 120.570 -0.168 0.000 2.529 165 I HA 0.355 4.517 4.170 -0.014 0.000 0.284 165 I C 0.475 176.523 176.117 -0.115 0.000 1.082 165 I CA -1.446 59.742 61.300 -0.186 0.000 1.406 165 I CB 0.216 38.007 38.000 -0.348 0.000 1.405 165 I HN 0.377 nan 8.210 nan 0.000 0.548 166 F N 6.122 126.086 119.950 0.025 0.000 2.646 166 F HA 0.140 4.659 4.527 -0.013 0.000 0.363 166 F C 0.348 176.201 175.800 0.087 0.000 1.143 166 F CA -0.219 57.816 58.000 0.059 0.000 1.356 166 F CB -0.341 38.683 39.000 0.040 0.000 1.055 166 F HN 0.435 nan 8.300 nan 0.000 0.606 167 N N 2.696 121.566 118.700 0.284 0.000 2.472 167 N HA 0.059 4.790 4.740 -0.014 0.000 0.277 167 N C -0.774 174.960 175.510 0.373 0.000 1.081 167 N CA -0.364 52.816 53.050 0.216 0.000 0.973 167 N CB 1.286 39.894 38.487 0.202 0.000 1.105 167 N HN 0.769 nan 8.380 nan 0.000 0.470 168 Q N 2.407 122.402 119.800 0.325 0.000 2.261 168 Q HA 0.198 4.529 4.340 -0.014 0.000 0.252 168 Q C -0.954 175.207 176.000 0.269 0.000 0.915 168 Q CA -0.331 55.713 55.803 0.401 0.000 0.915 168 Q CB 0.710 29.680 28.738 0.388 0.000 1.204 168 Q HN 0.385 nan 8.270 nan 0.000 0.421 169 K N 3.683 124.217 120.400 0.222 0.000 2.371 169 K HA 0.455 4.767 4.320 -0.014 0.000 0.251 169 K C -0.999 175.682 176.600 0.136 0.000 0.934 169 K CA -1.081 55.308 56.287 0.171 0.000 0.798 169 K CB 1.448 34.035 32.500 0.145 0.000 1.204 169 K HN 0.423 nan 8.250 nan 0.000 0.427 170 I N 2.295 122.929 120.570 0.107 0.000 2.312 170 I HA 0.139 4.301 4.170 -0.014 0.000 0.291 170 I C -0.377 175.784 176.117 0.073 0.000 1.031 170 I CA -1.385 59.948 61.300 0.056 0.000 1.293 170 I CB 0.464 38.463 38.000 -0.002 0.000 1.403 170 I HN 0.636 nan 8.210 nan 0.000 0.484 171 C N 4.471 123.834 119.300 0.105 0.000 2.301 171 C HA 0.619 5.071 4.460 -0.014 0.000 0.323 171 C C 1.058 176.146 174.990 0.163 0.000 1.265 171 C CA -0.675 58.409 59.018 0.111 0.000 1.503 171 C CB 0.408 28.208 27.740 0.101 0.000 2.195 171 C HN 1.078 nan 8.230 nan 0.000 0.477 172 G N 2.532 111.398 108.800 0.110 0.000 2.273 172 G HA2 0.152 4.104 3.960 -0.014 0.000 0.280 172 G HA3 0.152 4.104 3.960 -0.014 0.000 0.280 172 G C 1.075 175.981 174.900 0.010 0.000 1.047 172 G CA 0.851 46.020 45.100 0.116 0.000 0.869 172 G HN 2.374 nan 8.290 nan 0.000 0.502 173 G N -2.751 105.998 108.800 -0.084 0.000 2.184 173 G HA2 -0.312 3.640 3.960 -0.014 0.000 0.264 173 G HA3 -0.312 3.640 3.960 -0.014 0.000 0.264 173 G C 0.412 175.076 174.900 -0.394 0.000 0.975 173 G CA 0.770 45.700 45.100 -0.282 0.000 0.642 173 G HN 1.229 nan 8.290 nan 0.000 0.536 174 W N 0.833 122.085 121.300 -0.080 0.000 2.496 174 W HA 0.661 5.313 4.660 -0.013 0.000 0.327 174 W C 0.667 177.138 176.519 -0.080 0.000 1.086 174 W CA -0.921 56.373 57.345 -0.085 0.000 1.222 174 W CB 0.863 30.290 29.460 -0.055 0.000 1.304 174 W HN 0.259 nan 8.180 nan 0.000 0.547 175 Q N 2.434 122.325 119.800 0.150 0.000 2.337 175 Q HA 0.281 4.613 4.340 -0.014 0.000 0.270 175 Q C -0.935 175.127 176.000 0.103 0.000 1.002 175 Q CA 0.217 56.082 55.803 0.103 0.000 0.888 175 Q CB 0.551 29.346 28.738 0.095 0.000 1.222 175 Q HN 0.491 nan 8.270 nan 0.000 0.400 176 M N 4.327 123.979 119.600 0.088 0.000 2.142 176 M HA 0.247 4.718 4.480 -0.014 0.000 0.299 176 M C -1.466 174.857 176.300 0.038 0.000 0.960 176 M CA -0.390 54.938 55.300 0.047 0.000 0.920 176 M CB 1.786 34.426 32.600 0.068 0.000 1.541 176 M HN 0.564 nan 8.290 nan 0.000 0.429 177 E N 2.880 123.037 120.200 -0.072 0.000 2.214 177 E HA 0.521 4.862 4.350 -0.014 0.000 0.274 177 E C -1.159 175.448 176.600 0.011 0.000 0.977 177 E CA -0.676 55.675 56.400 -0.082 0.000 0.827 177 E CB 2.196 31.527 29.700 -0.616 0.000 1.130 177 E HN 0.689 nan 8.360 nan 0.000 0.394 178 E N 0.783 121.069 120.200 0.143 0.000 2.340 178 E HA 0.523 4.865 4.350 -0.014 0.000 0.273 178 E C -1.294 175.409 176.600 0.171 0.000 0.891 178 E CA -0.986 55.489 56.400 0.124 0.000 0.757 178 E CB 2.019 31.801 29.700 0.135 0.000 1.231 178 E HN 0.623 nan 8.360 nan 0.000 0.439 179 A N 2.740 125.625 122.820 0.109 0.000 2.498 179 A HA 0.088 4.400 4.320 -0.014 0.000 0.239 179 A C -0.107 177.655 177.584 0.297 0.000 1.068 179 A CA 0.180 52.305 52.037 0.146 0.000 0.766 179 A CB 0.246 19.233 19.000 -0.022 0.000 1.003 179 A HN 0.613 nan 8.150 nan 0.000 0.497 180 D N 1.396 122.035 120.400 0.398 0.000 2.500 180 D HA 0.204 4.836 4.640 -0.014 0.000 0.219 180 D C -0.772 175.828 176.300 0.500 0.000 1.137 180 D CA -0.144 54.076 54.000 0.367 0.000 0.946 180 D CB 0.359 41.307 40.800 0.248 0.000 1.022 180 D HN 0.361 nan 8.370 nan 0.000 0.518 181 D N 3.870 124.536 120.400 0.443 0.000 2.619 181 D HA -0.006 4.626 4.640 -0.014 0.000 0.224 181 D C 1.183 177.640 176.300 0.262 0.000 1.133 181 D CA -0.544 53.657 54.000 0.336 0.000 1.017 181 D CB -0.056 40.939 40.800 0.326 0.000 1.077 181 D HN 0.551 nan 8.370 nan 0.000 0.503 182 W N 2.483 123.819 121.300 0.059 0.000 2.525 182 W HA -0.041 4.611 4.660 -0.014 0.000 0.259 182 W C 0.263 176.842 176.519 0.100 0.000 1.253 182 W CA 0.087 57.487 57.345 0.091 0.000 1.262 182 W CB -0.825 28.685 29.460 0.083 0.000 1.122 182 W HN 0.184 nan 8.180 nan 0.000 0.607 183 L N 1.133 122.044 121.223 -0.520 0.000 2.611 183 L HA 0.198 4.530 4.340 -0.014 0.000 0.229 183 L C 2.529 179.278 176.870 -0.203 0.000 1.137 183 L CA -0.136 54.402 54.840 -0.503 0.000 0.901 183 L CB -0.518 41.078 42.059 -0.772 0.000 1.098 183 L HN -0.189 nan 8.230 nan 0.000 0.456 184 R N 0.001 120.440 120.500 -0.102 0.000 2.159 184 R HA -0.239 4.093 4.340 -0.014 0.000 0.252 184 R C 1.199 177.323 176.300 -0.293 0.000 1.144 184 R CA 2.038 58.032 56.100 -0.178 0.000 0.961 184 R CB -0.407 29.770 30.300 -0.205 0.000 0.877 184 R HN 0.332 nan 8.270 nan 0.000 0.444 185 Y N -0.704 119.631 120.300 0.058 0.000 2.458 185 Y HA 0.277 4.819 4.550 -0.013 0.000 0.256 185 Y C 1.028 176.967 175.900 0.065 0.000 1.159 185 Y CA 0.457 58.620 58.100 0.106 0.000 1.261 185 Y CB 1.033 39.676 38.460 0.306 0.000 1.119 185 Y HN 0.309 nan 8.280 nan 0.000 0.524 186 G N 1.170 110.039 108.800 0.116 0.000 2.663 186 G HA2 -0.224 3.728 3.960 -0.014 0.000 0.686 186 G HA3 -0.224 3.728 3.960 -0.014 0.000 0.686 186 G C -1.070 173.928 174.900 0.162 0.000 1.288 186 G CA -0.736 44.397 45.100 0.055 0.000 0.836 186 G HN 0.240 nan 8.290 nan 0.000 0.584 187 N N 1.149 119.893 118.700 0.073 0.000 2.531 187 N HA 0.454 5.186 4.740 -0.014 0.000 0.268 187 N C -1.543 173.974 175.510 0.011 0.000 1.023 187 N CA -1.618 51.488 53.050 0.093 0.000 0.896 187 N CB 2.214 40.698 38.487 -0.004 0.000 1.233 187 N HN 0.325 nan 8.380 nan 0.000 0.512 188 P HA 0.030 nan 4.420 nan 0.000 0.242 188 P C 0.185 177.141 177.300 -0.572 0.000 1.197 188 P CA 0.459 63.227 63.100 -0.553 0.000 0.765 188 P CB 0.035 31.122 31.700 -1.021 0.000 0.936 189 W N 1.269 122.589 121.300 0.033 0.000 2.777 189 W HA 0.110 4.762 4.660 -0.013 0.000 0.260 189 W C 1.222 177.771 176.519 0.049 0.000 1.194 189 W CA -0.375 56.977 57.345 0.012 0.000 1.447 189 W CB -0.064 29.399 29.460 0.005 0.000 1.009 189 W HN -0.118 nan 8.180 nan 0.000 0.613 190 E N 2.007 122.364 120.200 0.263 0.000 2.392 190 E HA 0.238 4.579 4.350 -0.014 0.000 0.259 190 E C -0.504 176.251 176.600 0.258 0.000 1.108 190 E CA -0.391 56.166 56.400 0.260 0.000 0.916 190 E CB 1.038 30.906 29.700 0.281 0.000 0.989 190 E HN -0.328 nan 8.360 nan 0.000 0.432 191 K N 1.239 121.803 120.400 0.273 0.000 2.572 191 K HA 0.384 4.696 4.320 -0.014 0.000 0.244 191 K C -1.084 175.542 176.600 0.043 0.000 0.965 191 K CA -0.419 55.975 56.287 0.179 0.000 0.943 191 K CB 1.278 33.895 32.500 0.196 0.000 1.154 191 K HN 0.673 nan 8.250 nan 0.000 0.447 192 A N 3.908 126.660 122.820 -0.113 0.000 2.561 192 A HA 0.233 4.544 4.320 -0.014 0.000 0.234 192 A C -0.163 177.228 177.584 -0.322 0.000 1.055 192 A CA 0.231 51.887 52.037 -0.635 0.000 0.756 192 A CB 0.200 18.832 19.000 -0.614 0.000 0.986 192 A HN 0.719 nan 8.150 nan 0.000 0.505 193 R N 2.641 122.951 120.500 -0.317 0.000 2.674 193 R HA 0.178 4.510 4.340 -0.014 0.000 0.270 193 R C -2.415 173.898 176.300 0.022 0.000 1.492 193 R CA -1.141 54.906 56.100 -0.088 0.000 1.624 193 R CB 1.042 31.248 30.300 -0.156 0.000 1.307 193 R HN 0.614 nan 8.270 nan 0.000 0.683 194 P HA -0.159 nan 4.420 nan 0.000 0.225 194 P C 0.906 178.263 177.300 0.095 0.000 1.148 194 P CA 1.032 64.152 63.100 0.034 0.000 0.779 194 P CB 0.356 32.056 31.700 -0.001 0.000 0.780 195 E N -0.385 119.880 120.200 0.109 0.000 2.338 195 E HA -0.130 4.212 4.350 -0.014 0.000 0.197 195 E C 0.660 177.295 176.600 0.059 0.000 1.007 195 E CA 0.765 57.200 56.400 0.058 0.000 0.849 195 E CB -0.882 28.822 29.700 0.006 0.000 0.774 195 E HN 0.288 nan 8.360 nan 0.000 0.506 196 F N 2.036 122.009 119.950 0.039 0.000 2.684 196 F HA 0.221 4.740 4.527 -0.013 0.000 0.298 196 F C 0.495 176.392 175.800 0.162 0.000 1.120 196 F CA -0.230 57.823 58.000 0.089 0.000 1.332 196 F CB 0.430 39.482 39.000 0.087 0.000 0.986 196 F HN -0.265 nan 8.300 nan 0.000 0.524 197 T N 1.945 116.667 114.554 0.279 0.000 2.900 197 T HA 0.345 4.687 4.350 -0.014 0.000 0.307 197 T C -0.313 174.499 174.700 0.187 0.000 1.065 197 T CA 0.213 62.468 62.100 0.258 0.000 1.105 197 T CB 1.003 69.983 68.868 0.186 0.000 0.979 197 T HN -0.165 nan 8.240 nan 0.000 0.544 198 L N 3.391 124.692 121.223 0.130 0.000 2.393 198 L HA 0.591 4.922 4.340 -0.014 0.000 0.260 198 L C -2.307 174.552 176.870 -0.018 0.000 1.002 198 L CA -2.231 52.625 54.840 0.027 0.000 0.818 198 L CB 2.241 44.250 42.059 -0.083 0.000 1.369 198 L HN 0.396 nan 8.230 nan 0.000 0.412 199 P HA 0.459 nan 4.420 nan 0.000 0.287 199 P C -1.424 175.787 177.300 -0.148 0.000 1.270 199 P CA -0.495 62.549 63.100 -0.093 0.000 0.844 199 P CB 2.098 33.719 31.700 -0.132 0.000 1.068 200 V N 2.795 122.614 119.914 -0.157 0.000 2.577 200 V HA 0.291 4.403 4.120 -0.014 0.000 0.303 200 V C 0.029 175.973 176.094 -0.250 0.000 1.042 200 V CA -0.588 61.608 62.300 -0.174 0.000 0.872 200 V CB 1.407 33.183 31.823 -0.078 0.000 0.998 200 V HN 0.604 nan 8.190 nan 0.000 0.423 201 H N 4.086 122.981 119.070 -0.293 0.000 2.467 201 H HA 0.581 5.129 4.556 -0.014 0.000 0.331 201 H C -1.237 173.729 175.328 -0.603 0.000 1.120 201 H CA -0.033 55.747 56.048 -0.447 0.000 1.270 201 H CB 1.817 31.084 29.762 -0.824 0.000 1.466 201 H HN 0.444 nan 8.280 nan 0.000 0.504 202 F N 0.331 120.310 119.950 0.048 0.000 2.620 202 F HA 0.219 4.738 4.527 -0.014 0.000 0.320 202 F C -0.197 175.675 175.800 0.120 0.000 1.069 202 F CA -0.489 57.549 58.000 0.064 0.000 0.953 202 F CB 0.831 39.823 39.000 -0.014 0.000 1.322 202 F HN 0.571 nan 8.300 nan 0.000 0.479 203 Y N 0.036 120.572 120.300 0.394 0.000 2.916 203 Y HA 0.082 4.624 4.550 -0.014 0.000 0.465 203 Y C 1.095 177.185 175.900 0.317 0.000 1.210 203 Y CA 0.591 58.852 58.100 0.268 0.000 2.458 203 Y CB -1.775 36.775 38.460 0.150 0.000 1.246 203 Y HN 1.277 nan 8.280 nan 0.000 0.635 204 G N -0.041 108.974 108.800 0.358 0.000 2.500 204 G HA2 0.232 4.184 3.960 -0.014 0.000 0.209 204 G HA3 0.232 4.184 3.960 -0.014 0.000 0.209 204 G C -1.068 174.003 174.900 0.285 0.000 1.283 204 G CA -0.213 45.031 45.100 0.241 0.000 0.960 204 G HN 0.840 nan 8.290 nan 0.000 0.528 205 R N -1.987 118.689 120.500 0.294 0.000 2.752 205 R HA 0.642 4.974 4.340 -0.014 0.000 0.271 205 R C -1.383 175.048 176.300 0.219 0.000 1.026 205 R CA -0.895 55.327 56.100 0.203 0.000 0.901 205 R CB 2.015 32.385 30.300 0.116 0.000 1.243 205 R HN 0.589 nan 8.270 nan 0.000 0.463 206 V N 1.700 121.672 119.914 0.097 0.000 2.417 206 V HA 0.313 4.425 4.120 -0.014 0.000 0.291 206 V C -0.497 175.570 176.094 -0.044 0.000 1.024 206 V CA -0.606 61.691 62.300 -0.005 0.000 0.861 206 V CB 1.559 33.335 31.823 -0.078 0.000 0.985 206 V HN 0.655 nan 8.190 nan 0.000 0.436 207 E N 2.742 122.891 120.200 -0.085 0.000 2.183 207 E HA 0.508 4.850 4.350 -0.014 0.000 0.271 207 E C -1.314 175.180 176.600 -0.178 0.000 0.919 207 E CA -0.760 55.613 56.400 -0.046 0.000 0.781 207 E CB 1.741 31.437 29.700 -0.006 0.000 1.140 207 E HN 0.702 nan 8.360 nan 0.000 0.402 208 H N 1.140 120.223 119.070 0.022 0.000 2.641 208 H HA 0.338 4.886 4.556 -0.014 0.000 0.295 208 H C -0.949 174.387 175.328 0.014 0.000 1.070 208 H CA -0.218 55.838 56.048 0.014 0.000 1.257 208 H CB 0.854 30.622 29.762 0.009 0.000 1.393 208 H HN 0.330 nan 8.280 nan 0.000 0.464 209 T N 0.614 115.212 114.554 0.074 0.000 3.032 209 T HA 0.285 4.626 4.350 -0.014 0.000 0.312 209 T C 0.734 175.462 174.700 0.046 0.000 1.078 209 T CA -0.575 61.562 62.100 0.060 0.000 1.028 209 T CB 1.837 70.728 68.868 0.038 0.000 1.091 209 T HN 0.594 nan 8.240 nan 0.000 0.457 210 S N 0.856 116.583 115.700 0.046 0.000 1.926 210 S HA -0.283 4.179 4.470 -0.014 0.000 0.218 210 S C 0.507 175.128 174.600 0.034 0.000 1.007 210 S CA 1.842 60.062 58.200 0.034 0.000 1.736 210 S CB -0.912 62.304 63.200 0.026 0.000 2.324 210 S HN 0.872 nan 8.310 nan 0.000 0.555 211 Q N 1.292 121.111 119.800 0.032 0.000 2.695 211 Q HA 0.549 4.881 4.340 -0.014 0.000 0.246 211 Q C 0.015 176.033 176.000 0.030 0.000 0.961 211 Q CA 1.048 56.870 55.803 0.031 0.000 0.708 211 Q CB 0.917 29.669 28.738 0.023 0.000 1.282 211 Q HN 1.129 nan 8.270 nan 0.000 0.482 212 G N 1.350 110.180 108.800 0.050 0.000 2.757 212 G HA2 0.144 4.096 3.960 -0.014 0.000 0.638 212 G HA3 0.144 4.096 3.960 -0.014 0.000 0.638 212 G C -0.732 174.166 174.900 -0.003 0.000 1.344 212 G CA -0.515 44.612 45.100 0.045 0.000 0.855 212 G HN 0.897 nan 8.290 nan 0.000 0.537 213 A N 0.347 123.124 122.820 -0.072 0.000 2.302 213 A HA 0.816 5.128 4.320 -0.014 0.000 0.285 213 A C 0.414 177.918 177.584 -0.134 0.000 1.105 213 A CA 0.542 52.424 52.037 -0.259 0.000 0.816 213 A CB 0.777 19.597 19.000 -0.300 0.000 1.067 213 A HN 1.350 nan 8.150 nan 0.000 0.489 214 K N 0.861 121.187 120.400 -0.124 0.000 2.464 214 K HA 0.313 4.625 4.320 -0.014 0.000 0.253 214 K C -1.817 174.810 176.600 0.044 0.000 0.933 214 K CA -0.441 55.828 56.287 -0.030 0.000 0.801 214 K CB 1.662 34.148 32.500 -0.024 0.000 1.271 214 K HN 0.636 nan 8.250 nan 0.000 0.430 215 W N 3.704 124.915 121.300 -0.147 0.000 2.316 215 W HA 0.490 5.142 4.660 -0.014 0.000 0.308 215 W C -1.240 175.206 176.519 -0.123 0.000 1.106 215 W CA -1.165 56.099 57.345 -0.136 0.000 1.262 215 W CB 0.757 30.124 29.460 -0.155 0.000 1.233 215 W HN 0.372 nan 8.180 nan 0.000 0.447 216 V N 6.527 126.460 119.914 0.032 0.000 3.126 216 V HA 0.388 4.500 4.120 -0.014 0.000 0.314 216 V C -0.567 175.481 176.094 -0.077 0.000 1.138 216 V CA -0.605 61.659 62.300 -0.059 0.000 1.034 216 V CB 2.017 33.841 31.823 0.001 0.000 1.075 216 V HN 0.494 nan 8.190 nan 0.000 0.442 217 D N 1.721 122.073 120.400 -0.080 0.000 2.704 217 D HA -0.135 4.496 4.640 -0.014 0.000 0.232 217 D C 0.395 176.636 176.300 -0.098 0.000 1.183 217 D CA 1.362 55.316 54.000 -0.077 0.000 0.647 217 D CB -1.336 39.452 40.800 -0.021 0.000 1.013 217 D HN 0.864 nan 8.370 nan 0.000 0.415 218 T N -3.177 111.263 114.554 -0.190 0.000 2.902 218 T HA 0.404 4.746 4.350 -0.014 0.000 0.280 218 T C 0.284 174.903 174.700 -0.135 0.000 0.992 218 T CA -0.952 61.044 62.100 -0.173 0.000 1.015 218 T CB 2.703 71.304 68.868 -0.445 0.000 1.044 218 T HN 0.240 nan 8.240 nan 0.000 0.520 219 Q N 0.684 120.483 119.800 -0.000 0.000 2.230 219 Q HA 0.537 4.869 4.340 -0.014 0.000 0.248 219 Q C -1.548 174.434 176.000 -0.030 0.000 0.915 219 Q CA -0.841 54.936 55.803 -0.044 0.000 0.900 219 Q CB 1.387 30.209 28.738 0.141 0.000 1.229 219 Q HN 0.599 nan 8.270 nan 0.000 0.439 220 V N 3.699 123.556 119.914 -0.095 0.000 2.459 220 V HA 0.437 4.549 4.120 -0.014 0.000 0.295 220 V C -0.465 175.675 176.094 0.076 0.000 1.029 220 V CA -0.638 61.600 62.300 -0.103 0.000 0.874 220 V CB 1.834 33.561 31.823 -0.159 0.000 0.985 220 V HN 0.652 nan 8.190 nan 0.000 0.438 221 V N 5.975 125.975 119.914 0.144 0.000 2.628 221 V HA 0.542 4.654 4.120 -0.014 0.000 0.306 221 V C -0.259 175.945 176.094 0.183 0.000 1.045 221 V CA -0.653 61.770 62.300 0.205 0.000 0.905 221 V CB 2.020 34.042 31.823 0.332 0.000 0.997 221 V HN 0.624 nan 8.190 nan 0.000 0.436 222 L N 3.064 124.403 121.223 0.193 0.000 2.334 222 L HA 0.820 5.152 4.340 -0.014 0.000 0.275 222 L C 0.218 177.272 176.870 0.307 0.000 1.036 222 L CA -0.584 54.366 54.840 0.184 0.000 0.807 222 L CB 1.755 43.904 42.059 0.150 0.000 1.231 222 L HN 0.740 nan 8.230 nan 0.000 0.438 223 A N 4.463 127.427 122.820 0.241 0.000 2.273 223 A HA 0.595 4.907 4.320 -0.014 0.000 0.315 223 A C -0.471 177.398 177.584 0.475 0.000 1.256 223 A CA -0.451 51.780 52.037 0.322 0.000 0.851 223 A CB 0.863 19.692 19.000 -0.285 0.000 1.172 223 A HN 0.694 nan 8.150 nan 0.000 0.508 224 M N 5.551 125.472 119.600 0.534 0.000 2.129 224 M HA 0.359 4.831 4.480 -0.014 0.000 0.348 224 M C -2.570 173.994 176.300 0.440 0.000 1.116 224 M CA -2.015 53.533 55.300 0.413 0.000 1.022 224 M CB 2.017 34.809 32.600 0.321 0.000 1.599 224 M HN 0.435 nan 8.290 nan 0.000 0.449 225 P HA 0.318 nan 4.420 nan 0.000 0.290 225 P C -1.896 175.339 177.300 -0.108 0.000 1.275 225 P CA -0.285 62.754 63.100 -0.101 0.000 0.841 225 P CB 0.908 32.260 31.700 -0.580 0.000 1.042 226 Y N 0.425 120.631 120.300 -0.156 0.000 2.326 226 Y HA 0.284 4.826 4.550 -0.014 0.000 0.329 226 Y C 0.082 175.918 175.900 -0.108 0.000 0.973 226 Y CA -0.424 57.633 58.100 -0.071 0.000 1.162 226 Y CB 1.206 39.666 38.460 0.000 0.000 1.147 226 Y HN 0.196 nan 8.280 nan 0.000 0.456 227 D N 2.319 122.770 120.400 0.084 0.000 2.249 227 D HA 0.288 4.920 4.640 -0.014 0.000 0.246 227 D C -0.375 176.051 176.300 0.209 0.000 1.114 227 D CA -0.142 53.935 54.000 0.128 0.000 0.854 227 D CB 1.391 42.335 40.800 0.239 0.000 1.132 227 D HN 0.355 nan 8.370 nan 0.000 0.461 228 T N 3.734 118.306 114.554 0.031 0.000 2.794 228 T HA 0.438 4.780 4.350 -0.014 0.000 0.280 228 T C -2.348 172.118 174.700 -0.391 0.000 0.987 228 T CA -1.486 60.558 62.100 -0.093 0.000 0.993 228 T CB 1.729 70.558 68.868 -0.065 0.000 0.939 228 T HN 0.196 nan 8.240 nan 0.000 0.449 229 P HA 0.300 nan 4.420 nan 0.000 0.275 229 P C -1.043 175.900 177.300 -0.595 0.000 1.228 229 P CA -0.394 61.985 63.100 -1.201 0.000 0.786 229 P CB 0.811 31.680 31.700 -1.386 0.000 0.927 230 V N 4.764 124.399 119.914 -0.464 0.000 2.340 230 V HA 0.262 4.374 4.120 -0.014 0.000 0.277 230 V C -2.170 173.791 176.094 -0.222 0.000 1.017 230 V CA -1.810 60.318 62.300 -0.287 0.000 0.820 230 V CB 1.558 33.253 31.823 -0.213 0.000 1.028 230 V HN 0.551 nan 8.190 nan 0.000 0.436 231 P HA 0.277 nan 4.420 nan 0.000 0.286 231 P C 0.392 177.643 177.300 -0.082 0.000 1.269 231 P CA 0.261 63.281 63.100 -0.135 0.000 0.787 231 P CB 1.607 33.229 31.700 -0.130 0.000 0.920 232 G N 2.642 111.412 108.800 -0.050 0.000 2.606 232 G HA2 0.066 4.018 3.960 -0.014 0.000 0.252 232 G HA3 0.066 4.018 3.960 -0.014 0.000 0.252 232 G C -0.989 173.920 174.900 0.015 0.000 1.206 232 G CA -0.402 44.696 45.100 -0.004 0.000 0.861 232 G HN 0.468 nan 8.290 nan 0.000 0.561 233 Y N 0.728 120.992 120.300 -0.060 0.000 2.650 233 Y HA 0.152 4.694 4.550 -0.014 0.000 0.342 233 Y C 1.414 177.282 175.900 -0.054 0.000 1.110 233 Y CA -0.038 58.024 58.100 -0.063 0.000 1.438 233 Y CB 0.055 38.476 38.460 -0.065 0.000 1.181 233 Y HN 0.697 nan 8.280 nan 0.000 0.526 234 R N 2.677 122.846 120.500 -0.552 0.000 3.358 234 R HA -0.275 4.057 4.340 -0.014 0.000 0.248 234 R C -0.020 176.164 176.300 -0.194 0.000 0.981 234 R CA 1.171 57.025 56.100 -0.410 0.000 0.662 234 R CB -1.555 28.366 30.300 -0.632 0.000 1.037 234 R HN 0.784 nan 8.270 nan 0.000 0.460 235 N N -0.825 117.806 118.700 -0.115 0.000 2.197 235 N HA 0.044 4.776 4.740 -0.014 0.000 0.228 235 N C -0.365 175.107 175.510 -0.063 0.000 1.212 235 N CA -0.252 52.758 53.050 -0.067 0.000 0.883 235 N CB 0.281 38.751 38.487 -0.027 0.000 1.107 235 N HN 0.141 nan 8.380 nan 0.000 0.519 236 N N -0.554 118.105 118.700 -0.069 0.000 2.708 236 N HA -0.140 4.592 4.740 -0.014 0.000 0.251 236 N C -1.071 174.403 175.510 -0.059 0.000 1.123 236 N CA 0.583 53.598 53.050 -0.058 0.000 0.739 236 N CB -1.640 36.811 38.487 -0.059 0.000 1.113 236 N HN 0.251 nan 8.380 nan 0.000 0.561 237 V N 0.893 120.777 119.914 -0.050 0.000 2.427 237 V HA 0.514 4.626 4.120 -0.014 0.000 0.286 237 V C 0.392 176.465 176.094 -0.034 0.000 1.034 237 V CA -0.567 61.712 62.300 -0.035 0.000 0.893 237 V CB 2.252 34.078 31.823 0.006 0.000 0.982 237 V HN -0.049 nan 8.190 nan 0.000 0.452 238 V N 5.503 125.402 119.914 -0.024 0.000 2.462 238 V HA 0.455 4.567 4.120 -0.014 0.000 0.288 238 V C -0.209 175.865 176.094 -0.034 0.000 1.020 238 V CA -0.825 61.423 62.300 -0.086 0.000 0.857 238 V CB 1.634 33.401 31.823 -0.092 0.000 1.013 238 V HN 0.853 nan 8.190 nan 0.000 0.431 239 N N 1.855 120.504 118.700 -0.086 0.000 2.495 239 N HA 0.611 5.343 4.740 -0.014 0.000 0.294 239 N C -0.161 175.285 175.510 -0.108 0.000 1.276 239 N CA -0.351 52.667 53.050 -0.053 0.000 0.973 239 N CB 1.140 39.561 38.487 -0.110 0.000 1.143 239 N HN 0.573 nan 8.380 nan 0.000 0.589 240 T N 0.745 115.234 114.554 -0.109 0.000 2.879 240 T HA 0.367 4.709 4.350 -0.014 0.000 0.290 240 T C -0.613 174.013 174.700 -0.123 0.000 0.993 240 T CA -0.476 61.621 62.100 -0.005 0.000 0.975 240 T CB 0.908 69.903 68.868 0.212 0.000 0.981 240 T HN 0.273 nan 8.240 nan 0.000 0.439 241 M N 3.905 123.392 119.600 -0.188 0.000 2.129 241 M HA 0.562 5.034 4.480 -0.014 0.000 0.348 241 M C -0.432 175.674 176.300 -0.323 0.000 1.116 241 M CA -0.748 54.363 55.300 -0.316 0.000 1.022 241 M CB 0.499 32.867 32.600 -0.387 0.000 1.599 241 M HN 0.468 nan 8.290 nan 0.000 0.449 242 R N 4.857 125.045 120.500 -0.521 0.000 2.310 242 R HA 0.545 4.877 4.340 -0.014 0.000 0.324 242 R C -2.162 173.785 176.300 -0.588 0.000 0.955 242 R CA -0.480 55.258 56.100 -0.603 0.000 0.830 242 R CB 0.887 30.634 30.300 -0.921 0.000 1.154 242 R HN 0.632 nan 8.270 nan 0.000 0.458 243 L N 5.539 126.539 121.223 -0.373 0.000 2.313 243 L HA 0.502 4.833 4.340 -0.014 0.000 0.283 243 L C -0.975 175.811 176.870 -0.140 0.000 1.013 243 L CA -0.633 54.095 54.840 -0.187 0.000 0.816 243 L CB 1.051 43.089 42.059 -0.036 0.000 1.236 243 L HN 0.653 nan 8.230 nan 0.000 0.419 244 W N 2.319 123.724 121.300 0.175 0.000 2.316 244 W HA 0.564 5.216 4.660 -0.013 0.000 0.321 244 W C 0.618 177.349 176.519 0.353 0.000 1.203 244 W CA -0.212 57.263 57.345 0.217 0.000 1.214 244 W CB 1.368 30.826 29.460 -0.003 0.000 1.169 244 W HN 0.426 nan 8.180 nan 0.000 0.561 245 S N 1.656 117.751 115.700 0.658 0.000 2.503 245 S HA 0.770 5.231 4.470 -0.014 0.000 0.301 245 S C -0.388 174.548 174.600 0.560 0.000 1.087 245 S CA -0.709 57.787 58.200 0.494 0.000 1.042 245 S CB 0.631 64.071 63.200 0.400 0.000 1.043 245 S HN 0.515 nan 8.310 nan 0.000 0.489 246 A N 3.423 126.411 122.820 0.279 0.000 2.354 246 A HA 0.716 5.028 4.320 -0.014 0.000 0.269 246 A C -0.277 177.403 177.584 0.159 0.000 1.109 246 A CA -0.331 51.779 52.037 0.122 0.000 0.800 246 A CB 0.397 19.219 19.000 -0.297 0.000 1.045 246 A HN 0.636 nan 8.150 nan 0.000 0.489 247 K N 1.160 121.670 120.400 0.183 0.000 2.482 247 K HA 0.628 4.940 4.320 -0.014 0.000 0.251 247 K C -0.433 176.240 176.600 0.122 0.000 0.936 247 K CA -0.006 56.371 56.287 0.150 0.000 0.791 247 K CB 1.808 34.415 32.500 0.178 0.000 1.213 247 K HN 0.953 nan 8.250 nan 0.000 0.428 248 A N 5.235 128.110 122.820 0.092 0.000 2.425 248 A HA 0.453 4.765 4.320 -0.014 0.000 0.249 248 A C -2.107 175.534 177.584 0.096 0.000 1.084 248 A CA -0.981 51.107 52.037 0.086 0.000 0.781 248 A CB -0.409 18.629 19.000 0.064 0.000 1.019 248 A HN 0.642 nan 8.150 nan 0.000 0.490 249 P HA 0.112 nan 4.420 nan 0.000 0.274 249 P C -0.110 177.239 177.300 0.081 0.000 1.260 249 P CA -0.160 63.007 63.100 0.111 0.000 0.793 249 P CB 0.711 32.512 31.700 0.169 0.000 1.048 250 N N -0.719 118.010 118.700 0.048 0.000 2.415 250 N HA -0.070 4.662 4.740 -0.014 0.000 0.174 250 N C 1.222 176.732 175.510 0.000 0.000 1.048 250 N CA 0.704 53.770 53.050 0.027 0.000 0.895 250 N CB -0.221 38.278 38.487 0.020 0.000 1.036 250 N HN 0.517 nan 8.380 nan 0.000 0.449 251 D N -0.521 119.842 120.400 -0.062 0.000 2.355 251 D HA -0.067 4.565 4.640 -0.014 0.000 0.233 251 D C 1.402 177.610 176.300 -0.154 0.000 0.997 251 D CA 0.635 54.535 54.000 -0.167 0.000 0.920 251 D CB -0.818 39.768 40.800 -0.357 0.000 1.063 251 D HN 0.080 nan 8.370 nan 0.000 0.465 252 F N 0.934 120.909 119.950 0.041 0.000 2.234 252 F HA 0.082 4.601 4.527 -0.014 0.000 0.299 252 F C 1.173 176.990 175.800 0.027 0.000 1.087 252 F CA 0.562 58.584 58.000 0.036 0.000 1.340 252 F CB -0.732 38.284 39.000 0.027 0.000 1.031 252 F HN -0.079 nan 8.300 nan 0.000 0.500 253 N N 0.941 119.749 118.700 0.180 0.000 3.301 253 N HA 0.301 5.033 4.740 -0.014 0.000 0.289 253 N C 0.103 175.647 175.510 0.057 0.000 1.343 253 N CA 0.114 53.226 53.050 0.103 0.000 1.136 253 N CB 0.245 38.786 38.487 0.089 0.000 1.402 253 N HN -0.004 nan 8.380 nan 0.000 0.516 254 L N 0.038 121.299 121.223 0.064 0.000 1.417 254 L HA -0.043 4.288 4.340 -0.014 0.000 0.045 254 L C -0.935 175.988 176.870 0.089 0.000 1.745 254 L CA 0.121 54.996 54.840 0.058 0.000 0.967 254 L CB -0.688 41.407 42.059 0.061 0.000 1.694 254 L HN 0.287 nan 8.230 nan 0.000 0.383 255 K N 2.119 122.570 120.400 0.085 0.000 2.307 255 K HA 0.376 4.688 4.320 -0.014 0.000 0.285 255 K C -0.923 175.789 176.600 0.187 0.000 1.073 255 K CA 0.641 57.011 56.287 0.139 0.000 0.996 255 K CB 0.013 32.571 32.500 0.097 0.000 0.994 255 K HN 0.294 nan 8.250 nan 0.000 0.452 256 D N 3.517 124.027 120.400 0.182 0.000 2.861 256 D HA 0.228 4.860 4.640 -0.014 0.000 0.216 256 D C -0.894 175.382 176.300 -0.040 0.000 1.323 256 D CA -0.750 53.268 54.000 0.030 0.000 0.917 256 D CB 0.535 41.311 40.800 -0.039 0.000 1.582 256 D HN 0.285 nan 8.370 nan 0.000 0.576 257 F N 2.094 122.070 119.950 0.045 0.000 2.773 257 F HA 0.412 4.931 4.527 -0.014 0.000 0.189 257 F C 0.848 176.667 175.800 0.032 0.000 1.212 257 F CA -0.260 57.763 58.000 0.038 0.000 0.950 257 F CB -1.171 37.847 39.000 0.031 0.000 2.157 257 F HN 0.364 nan 8.300 nan 0.000 0.590 258 N N 0.066 118.924 118.700 0.264 0.000 2.689 258 N HA -0.122 4.609 4.740 -0.014 0.000 0.263 258 N C -0.584 174.954 175.510 0.046 0.000 0.987 258 N CA 0.333 53.469 53.050 0.142 0.000 0.782 258 N CB -2.253 36.273 38.487 0.066 0.000 0.903 258 N HN 1.771 nan 8.380 nan 0.000 0.547 259 V N -4.722 115.239 119.914 0.078 0.000 3.783 259 V HA 0.147 4.259 4.120 -0.014 0.000 0.533 259 V C 1.024 177.135 176.094 0.028 0.000 0.682 259 V CA 0.562 62.895 62.300 0.056 0.000 2.088 259 V CB -1.293 30.558 31.823 0.047 0.000 2.486 259 V HN 1.736 nan 8.190 nan 0.000 0.518 260 G N 2.302 111.124 108.800 0.037 0.000 4.890 260 G HA2 0.716 4.668 3.960 -0.014 0.000 0.225 260 G HA3 0.716 4.668 3.960 -0.014 0.000 0.225 260 G C 0.898 175.815 174.900 0.029 0.000 2.100 260 G CA 0.788 45.900 45.100 0.020 0.000 0.773 260 G HN 3.180 nan 8.290 nan 0.000 0.279 261 G N -0.290 108.539 108.800 0.049 0.000 3.265 261 G HA2 -0.141 3.811 3.960 -0.014 0.000 0.488 261 G HA3 -0.141 3.811 3.960 -0.014 0.000 0.488 261 G C 0.446 175.382 174.900 0.061 0.000 0.742 261 G CA 0.401 45.535 45.100 0.058 0.000 0.841 261 G HN 1.250 nan 8.290 nan 0.000 0.457 262 Y N 3.829 124.142 120.300 0.022 0.000 2.070 262 Y HA -0.155 4.387 4.550 -0.014 0.000 0.280 262 Y C 2.644 178.556 175.900 0.019 0.000 1.148 262 Y CA 2.193 60.306 58.100 0.023 0.000 1.125 262 Y CB -0.129 38.343 38.460 0.020 0.000 0.975 262 Y HN 0.523 nan 8.280 nan 0.000 0.492 263 I N 0.403 120.852 120.570 -0.201 0.000 2.208 263 I HA -0.318 3.844 4.170 -0.014 0.000 0.245 263 I C 2.383 178.393 176.117 -0.178 0.000 1.097 263 I CA 1.523 62.695 61.300 -0.213 0.000 1.363 263 I CB -1.264 36.726 38.000 -0.016 0.000 1.051 263 I HN 0.397 nan 8.210 nan 0.000 0.413 264 Q N 0.650 120.392 119.800 -0.097 0.000 1.993 264 Q HA -0.133 4.199 4.340 -0.014 0.000 0.202 264 Q C 2.419 178.365 176.000 -0.090 0.000 0.984 264 Q CA 2.011 57.772 55.803 -0.070 0.000 0.837 264 Q CB -0.577 28.140 28.738 -0.034 0.000 0.902 264 Q HN 0.522 nan 8.270 nan 0.000 0.423 265 A N 0.156 122.917 122.820 -0.098 0.000 2.009 265 A HA -0.193 4.119 4.320 -0.014 0.000 0.222 265 A C 2.370 179.881 177.584 -0.122 0.000 1.175 265 A CA 1.999 53.983 52.037 -0.089 0.000 0.651 265 A CB -0.649 18.310 19.000 -0.069 0.000 0.815 265 A HN 0.246 nan 8.150 nan 0.000 0.459 266 V N -0.356 119.428 119.914 -0.216 0.000 2.446 266 V HA -0.146 3.965 4.120 -0.014 0.000 0.244 266 V C 2.447 178.480 176.094 -0.102 0.000 1.039 266 V CA 1.542 63.732 62.300 -0.182 0.000 1.045 266 V CB -0.649 31.002 31.823 -0.286 0.000 0.681 266 V HN 0.572 nan 8.190 nan 0.000 0.459 267 L N -0.031 121.135 121.223 -0.095 0.000 2.131 267 L HA -0.144 4.188 4.340 -0.014 0.000 0.210 267 L C 1.872 178.721 176.870 -0.035 0.000 1.092 267 L CA 1.244 56.053 54.840 -0.052 0.000 0.759 267 L CB -0.649 41.383 42.059 -0.045 0.000 0.903 267 L HN 0.332 nan 8.230 nan 0.000 0.435 268 D N -0.165 120.212 120.400 -0.038 0.000 2.363 268 D HA -0.053 4.579 4.640 -0.014 0.000 0.226 268 D C 2.126 178.418 176.300 -0.012 0.000 1.020 268 D CA 0.379 54.365 54.000 -0.023 0.000 0.892 268 D CB 0.061 40.846 40.800 -0.025 0.000 0.900 268 D HN 0.206 nan 8.370 nan 0.000 0.531 269 R N 0.792 121.286 120.500 -0.010 0.000 2.096 269 R HA -0.016 4.316 4.340 -0.014 0.000 0.235 269 R C 0.617 176.924 176.300 0.012 0.000 1.127 269 R CA 0.728 56.832 56.100 0.007 0.000 0.968 269 R CB -0.279 30.026 30.300 0.009 0.000 0.861 269 R HN 0.326 nan 8.270 nan 0.000 0.440 270 N N 0.917 119.624 118.700 0.010 0.000 2.663 270 N HA 0.071 4.803 4.740 -0.014 0.000 0.250 270 N C -0.079 175.437 175.510 0.010 0.000 1.129 270 N CA 0.101 53.162 53.050 0.018 0.000 0.995 270 N CB 1.281 39.784 38.487 0.028 0.000 1.324 270 N HN 0.062 nan 8.380 nan 0.000 0.512 271 L N 0.848 122.073 121.223 0.004 0.000 1.645 271 L HA 0.145 4.477 4.340 -0.014 0.000 0.177 271 L C 1.726 178.584 176.870 -0.019 0.000 1.266 271 L CA 0.498 55.335 54.840 -0.006 0.000 1.244 271 L CB -0.641 41.412 42.059 -0.010 0.000 2.568 271 L HN 0.422 nan 8.230 nan 0.000 0.502 272 A N -0.331 122.482 122.820 -0.013 0.000 1.975 272 A HA -0.008 4.304 4.320 -0.014 0.000 0.215 272 A C 1.612 179.172 177.584 -0.039 0.000 1.170 272 A CA 1.363 53.383 52.037 -0.028 0.000 0.656 272 A CB -0.289 18.720 19.000 0.014 0.000 0.821 272 A HN 0.495 nan 8.150 nan 0.000 0.449 273 E N 0.314 120.511 120.200 -0.005 0.000 2.511 273 E HA -0.045 4.297 4.350 -0.014 0.000 0.196 273 E C 0.655 177.258 176.600 0.005 0.000 1.066 273 E CA -0.006 56.398 56.400 0.007 0.000 0.871 273 E CB -0.104 29.622 29.700 0.043 0.000 0.863 273 E HN 0.427 nan 8.360 nan 0.000 0.520 274 N N 0.830 119.527 118.700 -0.005 0.000 2.457 274 N HA 0.008 4.740 4.740 -0.014 0.000 0.180 274 N C 1.567 177.085 175.510 0.014 0.000 1.050 274 N CA 0.397 53.463 53.050 0.026 0.000 0.906 274 N CB 0.107 38.607 38.487 0.022 0.000 0.968 274 N HN 0.251 nan 8.380 nan 0.000 0.445 275 I N 0.331 120.846 120.570 -0.091 0.000 2.335 275 I HA -0.205 3.957 4.170 -0.014 0.000 0.251 275 I C 0.904 176.982 176.117 -0.065 0.000 1.129 275 I CA 1.058 62.266 61.300 -0.154 0.000 1.402 275 I CB -0.157 37.571 38.000 -0.453 0.000 1.069 275 I HN 0.085 nan 8.210 nan 0.000 0.424 276 S N -0.330 115.349 115.700 -0.035 0.000 2.561 276 S HA 0.215 4.676 4.470 -0.014 0.000 0.245 276 S C 1.325 176.083 174.600 0.264 0.000 1.001 276 S CA -0.606 57.665 58.200 0.118 0.000 1.002 276 S CB 0.323 63.573 63.200 0.083 0.000 0.805 276 S HN 0.225 nan 8.310 nan 0.000 0.458 277 R N 1.363 122.021 120.500 0.264 0.000 2.075 277 R HA 0.269 4.601 4.340 -0.014 0.000 0.226 277 R C 0.370 176.945 176.300 0.457 0.000 1.114 277 R CA 0.992 57.286 56.100 0.324 0.000 0.972 277 R CB -0.201 30.252 30.300 0.255 0.000 0.869 277 R HN 0.391 nan 8.270 nan 0.000 0.437 278 V N 0.435 120.579 119.914 0.383 0.000 2.888 278 V HA 0.367 4.479 4.120 -0.014 0.000 0.309 278 V C -1.480 174.540 176.094 -0.123 0.000 1.114 278 V CA -1.401 61.024 62.300 0.208 0.000 0.940 278 V CB 1.820 33.694 31.823 0.084 0.000 1.021 278 V HN 0.192 nan 8.190 nan 0.000 0.426 279 L N 6.459 127.358 121.223 -0.539 0.000 2.410 279 L HA 0.461 4.792 4.340 -0.014 0.000 0.273 279 L C -0.896 175.780 176.870 -0.324 0.000 1.152 279 L CA 0.379 54.660 54.840 -0.933 0.000 0.855 279 L CB 0.489 42.065 42.059 -0.806 0.000 1.129 279 L HN 0.693 nan 8.230 nan 0.000 0.463 280 Y N 6.929 127.125 120.300 -0.172 0.000 2.569 280 Y HA 0.177 4.719 4.550 -0.014 0.000 0.332 280 Y C -1.298 174.591 175.900 -0.019 0.000 1.120 280 Y CA -1.293 56.781 58.100 -0.042 0.000 1.416 280 Y CB 0.330 38.792 38.460 0.003 0.000 1.210 280 Y HN 0.575 nan 8.280 nan 0.000 0.528 281 P HA -0.068 nan 4.420 nan 0.000 0.258 281 P C -0.579 176.859 177.300 0.229 0.000 1.403 281 P CA 0.386 63.581 63.100 0.159 0.000 0.826 281 P CB 0.074 31.909 31.700 0.226 0.000 1.414 282 N N 2.139 120.979 118.700 0.233 0.000 2.469 282 N HA 0.048 4.779 4.740 -0.014 0.000 0.239 282 N C -0.179 175.496 175.510 0.276 0.000 1.053 282 N CA -0.368 52.866 53.050 0.307 0.000 0.937 282 N CB 0.707 39.373 38.487 0.300 0.000 1.163 282 N HN 0.194 nan 8.380 nan 0.000 0.509 283 D N 3.487 124.049 120.400 0.269 0.000 2.350 283 D HA -0.048 4.584 4.640 -0.014 0.000 0.249 283 D C -0.286 176.101 176.300 0.145 0.000 1.119 283 D CA -0.033 54.087 54.000 0.199 0.000 0.886 283 D CB 0.600 41.531 40.800 0.218 0.000 1.195 283 D HN 0.434 nan 8.370 nan 0.000 0.437 284 N N 1.987 120.747 118.700 0.101 0.000 2.726 284 N HA -0.224 4.508 4.740 -0.014 0.000 0.287 284 N C -1.156 174.275 175.510 -0.133 0.000 1.052 284 N CA 1.057 54.108 53.050 0.001 0.000 0.805 284 N CB -0.731 37.687 38.487 -0.115 0.000 0.944 284 N HN 0.357 nan 8.380 nan 0.000 0.574 285 F N -0.124 119.914 119.950 0.147 0.000 3.052 285 F HA 0.566 5.085 4.527 -0.013 0.000 0.323 285 F C -0.707 175.186 175.800 0.155 0.000 1.178 285 F CA -1.025 57.039 58.000 0.106 0.000 0.892 285 F CB 0.797 39.815 39.000 0.029 0.000 1.416 285 F HN -0.007 nan 8.300 nan 0.000 0.488 286 F N 1.542 121.598 119.950 0.176 0.000 2.607 286 F HA 0.496 5.015 4.527 -0.014 0.000 0.322 286 F C -1.104 174.629 175.800 -0.112 0.000 1.176 286 F CA -0.565 57.420 58.000 -0.025 0.000 0.977 286 F CB 1.284 40.225 39.000 -0.099 0.000 1.242 286 F HN 0.301 nan 8.300 nan 0.000 0.465 287 E N 4.135 123.943 120.200 -0.653 0.000 2.089 287 E HA 0.268 4.610 4.350 -0.014 0.000 0.284 287 E C 0.335 176.242 176.600 -1.155 0.000 1.023 287 E CA -0.288 55.695 56.400 -0.695 0.000 0.819 287 E CB 1.516 31.039 29.700 -0.295 0.000 1.076 287 E HN 0.901 nan 8.360 nan 0.000 0.396 288 G N 3.564 111.688 108.800 -1.127 0.000 3.353 288 G HA2 0.004 3.956 3.960 -0.014 0.000 0.247 288 G HA3 0.004 3.956 3.960 -0.014 0.000 0.247 288 G C 0.355 175.215 174.900 -0.067 0.000 1.025 288 G CA -0.102 44.510 45.100 -0.813 0.000 1.863 288 G HN 0.026 nan 8.290 nan 0.000 0.635 289 K N 0.011 120.416 120.400 0.007 0.000 2.138 289 K HA 0.288 4.600 4.320 -0.014 0.000 0.263 289 K C 1.100 177.827 176.600 0.213 0.000 0.965 289 K CA -0.828 55.528 56.287 0.115 0.000 0.868 289 K CB 1.861 34.394 32.500 0.055 0.000 1.083 289 K HN 0.202 nan 8.250 nan 0.000 0.443 290 E N 1.678 121.959 120.200 0.134 0.000 2.106 290 E HA -0.171 4.171 4.350 -0.014 0.000 0.192 290 E C 1.409 178.022 176.600 0.022 0.000 0.984 290 E CA 0.787 57.216 56.400 0.047 0.000 0.806 290 E CB 0.151 29.884 29.700 0.054 0.000 0.750 290 E HN 0.415 nan 8.360 nan 0.000 0.458 291 L N 1.516 122.790 121.223 0.085 0.000 2.043 291 L HA -0.229 4.103 4.340 -0.014 0.000 0.212 291 L C 2.400 179.337 176.870 0.112 0.000 1.075 291 L CA 1.696 56.610 54.840 0.124 0.000 0.752 291 L CB -0.488 41.736 42.059 0.273 0.000 0.891 291 L HN 0.038 nan 8.230 nan 0.000 0.432 292 R N -0.773 119.721 120.500 -0.010 0.000 2.062 292 R HA -0.110 4.222 4.340 -0.014 0.000 0.231 292 R C 2.214 178.571 176.300 0.096 0.000 1.136 292 R CA 1.664 57.703 56.100 -0.102 0.000 0.948 292 R CB -1.162 28.985 30.300 -0.254 0.000 0.845 292 R HN 0.382 nan 8.270 nan 0.000 0.430 293 L N 1.742 122.936 121.223 -0.048 0.000 2.187 293 L HA -0.139 4.192 4.340 -0.014 0.000 0.213 293 L C 1.866 178.702 176.870 -0.057 0.000 1.100 293 L CA 1.815 56.434 54.840 -0.368 0.000 0.765 293 L CB -0.293 41.113 42.059 -1.090 0.000 0.904 293 L HN 0.058 nan 8.230 nan 0.000 0.437 294 K N -1.232 119.177 120.400 0.015 0.000 2.062 294 K HA -0.117 4.195 4.320 -0.014 0.000 0.205 294 K C 2.070 178.824 176.600 0.256 0.000 1.051 294 K CA 1.381 57.747 56.287 0.131 0.000 0.941 294 K CB -0.104 32.301 32.500 -0.158 0.000 0.719 294 K HN 0.453 nan 8.250 nan 0.000 0.440 295 Q N 0.704 120.630 119.800 0.209 0.000 2.084 295 Q HA -0.189 4.143 4.340 -0.014 0.000 0.202 295 Q C 1.851 178.061 176.000 0.350 0.000 0.978 295 Q CA 1.473 57.460 55.803 0.307 0.000 0.844 295 Q CB 0.012 28.949 28.738 0.332 0.000 0.898 295 Q HN 0.367 nan 8.270 nan 0.000 0.426 296 E N -0.242 120.124 120.200 0.276 0.000 2.077 296 E HA -0.209 4.133 4.350 -0.014 0.000 0.193 296 E C 1.712 178.453 176.600 0.236 0.000 0.989 296 E CA 0.971 57.524 56.400 0.255 0.000 0.800 296 E CB -0.142 29.704 29.700 0.242 0.000 0.746 296 E HN 0.330 nan 8.360 nan 0.000 0.452 297 Y N 0.530 120.899 120.300 0.114 0.000 2.220 297 Y HA -0.198 4.344 4.550 -0.014 0.000 0.291 297 Y C 1.987 177.953 175.900 0.110 0.000 1.129 297 Y CA 0.953 59.079 58.100 0.044 0.000 1.161 297 Y CB -0.394 38.060 38.460 -0.009 0.000 0.997 297 Y HN 0.013 nan 8.280 nan 0.000 0.522 298 F N -0.348 119.623 119.950 0.035 0.000 2.095 298 F HA -0.232 4.287 4.527 -0.014 0.000 0.298 298 F C 2.479 178.156 175.800 -0.206 0.000 1.104 298 F CA 2.000 59.963 58.000 -0.062 0.000 1.232 298 F CB -1.039 38.072 39.000 0.185 0.000 0.987 298 F HN -0.069 nan 8.300 nan 0.000 0.475 299 V N -0.333 119.500 119.914 -0.136 0.000 2.358 299 V HA -0.189 3.922 4.120 -0.014 0.000 0.246 299 V C 2.184 178.146 176.094 -0.220 0.000 1.047 299 V CA 1.930 64.141 62.300 -0.149 0.000 1.035 299 V CB -0.494 31.456 31.823 0.211 0.000 0.658 299 V HN 0.264 nan 8.190 nan 0.000 0.452 300 V N 0.839 120.642 119.914 -0.184 0.000 2.220 300 V HA -0.274 3.838 4.120 -0.014 0.000 0.246 300 V C 2.910 178.780 176.094 -0.374 0.000 1.049 300 V CA 2.504 64.678 62.300 -0.210 0.000 1.003 300 V CB -1.498 30.260 31.823 -0.108 0.000 0.634 300 V HN 0.683 nan 8.190 nan 0.000 0.444 301 A N -0.076 122.370 122.820 -0.624 0.000 1.881 301 A HA -0.300 4.012 4.320 -0.014 0.000 0.219 301 A C 2.390 179.630 177.584 -0.572 0.000 1.215 301 A CA 3.170 54.823 52.037 -0.640 0.000 0.648 301 A CB -1.125 17.317 19.000 -0.929 0.000 0.832 301 A HN 0.677 nan 8.150 nan 0.000 0.455 302 A N -1.779 120.535 122.820 -0.843 0.000 1.872 302 A HA -0.013 4.299 4.320 -0.014 0.000 0.214 302 A C 2.302 179.432 177.584 -0.756 0.000 1.187 302 A CA 2.224 53.602 52.037 -1.098 0.000 0.614 302 A CB -1.358 16.341 19.000 -2.169 0.000 0.826 302 A HN 0.463 nan 8.150 nan 0.000 0.442 303 T N 0.406 114.648 114.554 -0.520 0.000 2.665 303 T HA -0.182 4.160 4.350 -0.014 0.000 0.268 303 T C 1.687 176.163 174.700 -0.373 0.000 1.035 303 T CA 1.802 63.712 62.100 -0.318 0.000 1.151 303 T CB -0.368 68.279 68.868 -0.369 0.000 0.862 303 T HN 0.223 nan 8.240 nan 0.000 0.438 304 L N 0.831 121.867 121.223 -0.312 0.000 2.275 304 L HA -0.012 4.319 4.340 -0.014 0.000 0.215 304 L C 2.589 179.365 176.870 -0.156 0.000 1.119 304 L CA 1.415 56.115 54.840 -0.234 0.000 0.790 304 L CB -0.533 41.422 42.059 -0.172 0.000 0.919 304 L HN 0.308 nan 8.230 nan 0.000 0.443 305 Q N -1.229 118.480 119.800 -0.151 0.000 2.172 305 Q HA -0.177 4.155 4.340 -0.014 0.000 0.200 305 Q C 1.445 177.455 176.000 0.016 0.000 0.964 305 Q CA 1.186 56.952 55.803 -0.061 0.000 0.855 305 Q CB 0.012 28.704 28.738 -0.077 0.000 0.918 305 Q HN 0.398 nan 8.270 nan 0.000 0.444 306 D N 0.526 120.939 120.400 0.023 0.000 2.194 306 D HA -0.022 4.610 4.640 -0.014 0.000 0.204 306 D C 1.616 177.918 176.300 0.003 0.000 0.964 306 D CA 0.620 54.688 54.000 0.113 0.000 0.846 306 D CB 0.148 41.103 40.800 0.258 0.000 0.962 306 D HN 0.154 nan 8.370 nan 0.000 0.490 307 I N 0.374 120.832 120.570 -0.186 0.000 2.163 307 I HA -0.204 3.958 4.170 -0.014 0.000 0.240 307 I C 2.126 178.277 176.117 0.058 0.000 1.081 307 I CA 0.576 61.701 61.300 -0.292 0.000 1.353 307 I CB -0.001 37.667 38.000 -0.553 0.000 1.054 307 I HN 0.033 nan 8.210 nan 0.000 0.407 308 I N 0.296 120.944 120.570 0.130 0.000 2.315 308 I HA -0.255 3.907 4.170 -0.014 0.000 0.248 308 I C 2.669 178.953 176.117 0.279 0.000 1.117 308 I CA 1.183 62.663 61.300 0.300 0.000 1.404 308 I CB -1.050 37.070 38.000 0.199 0.000 1.071 308 I HN 0.335 nan 8.210 nan 0.000 0.419 309 R N 1.528 122.136 120.500 0.182 0.000 2.082 309 R HA -0.189 4.143 4.340 -0.014 0.000 0.234 309 R C 2.390 178.797 176.300 0.179 0.000 1.136 309 R CA 1.716 57.915 56.100 0.166 0.000 0.935 309 R CB -0.322 30.074 30.300 0.160 0.000 0.842 309 R HN 0.278 nan 8.270 nan 0.000 0.430 310 R N -0.738 119.879 120.500 0.195 0.000 2.091 310 R HA -0.176 4.156 4.340 -0.014 0.000 0.238 310 R C 2.279 178.706 176.300 0.211 0.000 1.136 310 R CA 1.793 58.022 56.100 0.214 0.000 0.959 310 R CB -0.483 29.952 30.300 0.225 0.000 0.856 310 R HN 0.238 nan 8.270 nan 0.000 0.437 311 F N 1.820 121.824 119.950 0.090 0.000 2.134 311 F HA -0.188 4.331 4.527 -0.014 0.000 0.299 311 F C 1.866 177.646 175.800 -0.035 0.000 1.097 311 F CA 1.593 59.603 58.000 0.017 0.000 1.264 311 F CB -0.023 39.022 39.000 0.076 0.000 1.001 311 F HN -0.192 nan 8.300 nan 0.000 0.479 312 K N -0.237 120.135 120.400 -0.047 0.000 2.209 312 K HA -0.103 4.208 4.320 -0.014 0.000 0.204 312 K C 2.148 178.678 176.600 -0.117 0.000 1.048 312 K CA 1.369 57.561 56.287 -0.160 0.000 0.940 312 K CB -0.128 32.391 32.500 0.031 0.000 0.729 312 K HN 0.254 nan 8.250 nan 0.000 0.451 313 S N 0.056 115.752 115.700 -0.007 0.000 2.325 313 S HA -0.142 4.319 4.470 -0.014 0.000 0.214 313 S C 1.497 176.104 174.600 0.011 0.000 1.031 313 S CA 0.821 59.057 58.200 0.060 0.000 0.972 313 S CB -0.268 63.054 63.200 0.203 0.000 0.908 313 S HN 0.435 nan 8.310 nan 0.000 0.453 314 S N 1.399 117.106 115.700 0.011 0.000 4.006 314 S HA -0.404 4.058 4.470 -0.014 0.000 0.537 314 S C 0.985 175.579 174.600 -0.009 0.000 0.960 314 S CA 2.415 60.632 58.200 0.029 0.000 3.417 314 S CB -1.028 62.171 63.200 -0.002 0.000 2.317 314 S HN 0.581 nan 8.310 nan 0.000 0.469 315 K N -1.663 118.761 120.400 0.041 0.000 2.618 315 K HA 0.287 4.599 4.320 -0.014 0.000 0.205 315 K C 1.052 177.606 176.600 -0.076 0.000 1.445 315 K CA 0.367 56.611 56.287 -0.071 0.000 1.034 315 K CB 0.080 32.495 32.500 -0.141 0.000 1.209 315 K HN 0.387 nan 8.250 nan 0.000 0.627 316 F N 1.311 121.129 119.950 -0.220 0.000 2.234 316 F HA 0.003 4.521 4.527 -0.014 0.000 0.299 316 F C 1.777 177.480 175.800 -0.163 0.000 1.087 316 F CA 0.971 58.839 58.000 -0.219 0.000 1.340 316 F CB -0.184 38.594 39.000 -0.370 0.000 1.031 316 F HN -0.002 nan 8.300 nan 0.000 0.500 317 G N -1.370 107.454 108.800 0.040 0.000 3.101 317 G HA2 0.352 4.304 3.960 -0.014 0.000 0.272 317 G HA3 0.352 4.304 3.960 -0.014 0.000 0.272 317 G C -0.067 174.835 174.900 0.003 0.000 0.801 317 G CA 0.383 45.491 45.100 0.014 0.000 1.978 317 G HN 0.475 nan 8.290 nan 0.000 0.591 318 C N -0.423 118.868 119.300 -0.015 0.000 4.125 318 C HA 0.132 4.584 4.460 -0.014 0.000 0.231 318 C C 0.979 175.937 174.990 -0.053 0.000 2.000 318 C CA 0.750 59.747 59.018 -0.036 0.000 1.607 318 C CB -0.384 27.321 27.740 -0.060 0.000 1.437 318 C HN 0.777 nan 8.230 nan 0.000 0.540 319 R N 0.501 120.939 120.500 -0.103 0.000 3.511 319 R HA 0.509 4.841 4.340 -0.014 0.000 0.092 319 R C 0.272 176.402 176.300 -0.283 0.000 0.597 319 R CA 1.095 57.117 56.100 -0.131 0.000 0.434 319 R CB -0.650 29.586 30.300 -0.106 0.000 0.490 319 R HN 0.266 nan 8.270 nan 0.000 0.332 320 D N -0.652 119.551 120.400 -0.329 0.000 4.086 320 D HA -0.160 4.472 4.640 -0.014 0.000 0.197 320 D C -1.603 174.484 176.300 -0.354 0.000 1.042 320 D CA 2.430 56.142 54.000 -0.480 0.000 2.327 320 D CB -1.850 38.321 40.800 -1.048 0.000 1.166 320 D HN 0.504 nan 8.370 nan 0.000 0.431 321 P HA 0.546 nan 4.420 nan 0.000 0.189 321 P C -0.307 176.957 177.300 -0.059 0.000 1.123 321 P CA 0.543 63.576 63.100 -0.112 0.000 0.859 321 P CB 0.894 32.580 31.700 -0.023 0.000 0.717 322 V N -1.036 118.890 119.914 0.019 0.000 2.947 322 V HA 0.051 4.163 4.120 -0.014 0.000 0.432 322 V C -0.745 175.385 176.094 0.061 0.000 0.788 322 V CA -0.100 62.232 62.300 0.054 0.000 1.882 322 V CB -0.211 31.621 31.823 0.015 0.000 2.351 322 V HN 0.856 nan 8.190 nan 0.000 0.471 323 R N 2.579 123.121 120.500 0.071 0.000 2.405 323 R HA -0.095 4.236 4.340 -0.014 0.000 0.314 323 R C 0.080 176.437 176.300 0.095 0.000 1.020 323 R CA 0.703 56.845 56.100 0.071 0.000 0.588 323 R CB -1.388 28.949 30.300 0.062 0.000 1.636 323 R HN 1.349 nan 8.270 nan 0.000 0.392 324 T N 2.239 116.849 114.554 0.093 0.000 2.463 324 T HA -0.204 4.138 4.350 -0.014 0.000 0.246 324 T C 0.336 175.109 174.700 0.122 0.000 1.237 324 T CA 1.346 63.496 62.100 0.083 0.000 3.935 324 T CB -0.941 67.989 68.868 0.103 0.000 0.551 324 T HN 0.417 nan 8.240 nan 0.000 0.198 325 N N 1.546 120.322 118.700 0.126 0.000 2.605 325 N HA 0.228 4.960 4.740 -0.014 0.000 0.258 325 N C 0.560 176.146 175.510 0.126 0.000 1.156 325 N CA -0.417 52.733 53.050 0.167 0.000 1.008 325 N CB 0.119 38.733 38.487 0.211 0.000 1.354 325 N HN 0.360 nan 8.380 nan 0.000 0.509 326 F N 0.886 120.905 119.950 0.115 0.000 2.641 326 F HA -0.114 4.405 4.527 -0.014 0.000 0.298 326 F C 1.778 177.588 175.800 0.015 0.000 1.146 326 F CA 0.625 58.636 58.000 0.018 0.000 1.464 326 F CB 0.034 38.946 39.000 -0.146 0.000 1.101 326 F HN 0.515 nan 8.300 nan 0.000 0.585 327 D N 0.179 120.700 120.400 0.201 0.000 2.170 327 D HA -0.246 4.385 4.640 -0.014 0.000 0.193 327 D C 2.090 178.487 176.300 0.162 0.000 1.004 327 D CA 1.619 55.715 54.000 0.161 0.000 0.860 327 D CB -0.079 40.816 40.800 0.157 0.000 0.931 327 D HN 0.343 nan 8.370 nan 0.000 0.448 328 A N -0.285 122.663 122.820 0.213 0.000 2.307 328 A HA 0.049 4.361 4.320 -0.014 0.000 0.218 328 A C 1.540 179.193 177.584 0.115 0.000 1.228 328 A CA -0.300 51.881 52.037 0.240 0.000 0.857 328 A CB -0.487 18.806 19.000 0.490 0.000 0.897 328 A HN 0.134 nan 8.150 nan 0.000 0.495 329 F N 2.395 122.175 119.950 -0.283 0.000 2.075 329 F HA -0.081 4.438 4.527 -0.013 0.000 0.297 329 F C -0.508 175.119 175.800 -0.290 0.000 1.113 329 F CA 2.116 59.710 58.000 -0.675 0.000 1.218 329 F CB -0.582 38.090 39.000 -0.547 0.000 0.984 329 F HN 0.199 nan 8.300 nan 0.000 0.472 330 P HA -0.157 nan 4.420 nan 0.000 0.223 330 P C 0.336 177.578 177.300 -0.097 0.000 1.144 330 P CA 1.587 64.599 63.100 -0.147 0.000 0.783 330 P CB -0.185 31.466 31.700 -0.080 0.000 0.771 331 D N -0.538 119.847 120.400 -0.025 0.000 2.339 331 D HA 0.032 4.664 4.640 -0.014 0.000 0.217 331 D C 1.444 177.772 176.300 0.047 0.000 1.050 331 D CA 0.435 54.454 54.000 0.031 0.000 0.856 331 D CB 0.380 41.232 40.800 0.087 0.000 0.922 331 D HN 0.278 nan 8.370 nan 0.000 0.518 332 K N -0.083 120.309 120.400 -0.013 0.000 2.502 332 K HA 0.148 4.459 4.320 -0.014 0.000 0.211 332 K C 0.291 176.836 176.600 -0.092 0.000 1.259 332 K CA 0.051 56.356 56.287 0.030 0.000 0.983 332 K CB 2.331 34.966 32.500 0.225 0.000 1.054 332 K HN -0.037 nan 8.250 nan 0.000 0.572 333 V N 0.399 120.140 119.914 -0.288 0.000 2.789 333 V HA 0.811 4.923 4.120 -0.014 0.000 0.311 333 V C -1.923 174.060 176.094 -0.184 0.000 1.073 333 V CA -0.742 61.404 62.300 -0.256 0.000 0.921 333 V CB 1.945 33.429 31.823 -0.566 0.000 1.009 333 V HN 0.162 nan 8.190 nan 0.000 0.426 334 A N 6.553 129.340 122.820 -0.056 0.000 2.374 334 A HA 0.879 5.191 4.320 -0.014 0.000 0.305 334 A C -0.943 176.672 177.584 0.051 0.000 1.053 334 A CA -0.436 51.599 52.037 -0.003 0.000 0.726 334 A CB 1.374 20.363 19.000 -0.018 0.000 1.229 334 A HN 1.943 nan 8.150 nan 0.000 0.431 335 I N 0.188 120.821 120.570 0.105 0.000 2.433 335 I HA 0.730 4.891 4.170 -0.014 0.000 0.292 335 I C -0.644 175.572 176.117 0.165 0.000 1.001 335 I CA -0.531 60.847 61.300 0.131 0.000 1.119 335 I CB 2.039 40.079 38.000 0.066 0.000 1.289 335 I HN 0.511 nan 8.210 nan 0.000 0.438 336 Q N 5.836 125.735 119.800 0.164 0.000 2.368 336 Q HA 0.499 4.831 4.340 -0.014 0.000 0.256 336 Q C -1.598 174.417 176.000 0.025 0.000 0.980 336 Q CA -0.436 55.497 55.803 0.216 0.000 0.887 336 Q CB 1.259 30.231 28.738 0.389 0.000 1.221 336 Q HN 0.786 nan 8.270 nan 0.000 0.458 337 L N 4.232 125.508 121.223 0.087 0.000 2.385 337 L HA 0.266 4.598 4.340 -0.014 0.000 0.281 337 L C -0.067 176.828 176.870 0.042 0.000 1.106 337 L CA 0.130 55.008 54.840 0.063 0.000 0.856 337 L CB 0.301 42.445 42.059 0.142 0.000 1.186 337 L HN 0.572 nan 8.230 nan 0.000 0.453 338 N N 4.298 122.939 118.700 -0.099 0.000 2.439 338 N HA 0.142 4.873 4.740 -0.014 0.000 0.243 338 N C -0.169 175.338 175.510 -0.007 0.000 1.088 338 N CA 0.339 53.363 53.050 -0.044 0.000 0.940 338 N CB -0.038 38.313 38.487 -0.225 0.000 1.180 338 N HN 0.570 nan 8.380 nan 0.000 0.505 339 D N -0.011 120.471 120.400 0.137 0.000 4.199 339 D HA -0.216 4.416 4.640 -0.014 0.000 0.291 339 D C 0.172 176.544 176.300 0.120 0.000 2.213 339 D CA 1.464 55.523 54.000 0.098 0.000 1.174 339 D CB -0.450 40.118 40.800 -0.386 0.000 1.012 339 D HN 0.532 nan 8.370 nan 0.000 1.213 340 T N -2.295 112.284 114.554 0.042 0.000 3.129 340 T HA 0.110 4.452 4.350 -0.014 0.000 0.251 340 T C 1.535 176.322 174.700 0.144 0.000 1.117 340 T CA 1.239 63.365 62.100 0.043 0.000 1.034 340 T CB -0.486 68.386 68.868 0.006 0.000 0.968 340 T HN 0.469 nan 8.240 nan 0.000 0.526 341 H N 2.244 121.405 119.070 0.151 0.000 2.421 341 H HA 0.027 4.575 4.556 -0.014 0.000 0.298 341 H C -0.994 174.431 175.328 0.162 0.000 1.087 341 H CA 0.536 56.690 56.048 0.177 0.000 1.330 341 H CB -0.750 29.111 29.762 0.165 0.000 1.388 341 H HN 0.441 nan 8.280 nan 0.000 0.526 342 P HA 0.070 nan 4.420 nan 0.000 0.259 342 P C 0.797 178.153 177.300 0.094 0.000 1.530 342 P CA 0.237 63.425 63.100 0.146 0.000 1.022 342 P CB 0.493 32.261 31.700 0.114 0.000 1.514 343 S N -0.456 115.294 115.700 0.083 0.000 2.442 343 S HA -0.117 4.345 4.470 -0.014 0.000 0.236 343 S C 1.624 176.243 174.600 0.032 0.000 1.007 343 S CA 0.831 59.041 58.200 0.016 0.000 0.965 343 S CB -1.065 62.118 63.200 -0.029 0.000 0.773 343 S HN 0.004 nan 8.310 nan 0.000 0.504 344 L N 1.680 122.942 121.223 0.064 0.000 2.549 344 L HA 0.264 4.596 4.340 -0.014 0.000 0.229 344 L C 2.625 179.548 176.870 0.089 0.000 1.158 344 L CA 0.406 55.290 54.840 0.072 0.000 0.842 344 L CB -1.858 40.246 42.059 0.075 0.000 0.952 344 L HN 0.458 nan 8.230 nan 0.000 0.452 345 A N -0.183 122.667 122.820 0.049 0.000 1.948 345 A HA -0.231 4.081 4.320 -0.014 0.000 0.220 345 A C 2.286 179.875 177.584 0.008 0.000 1.177 345 A CA 1.897 53.943 52.037 0.016 0.000 0.636 345 A CB -0.429 18.572 19.000 0.003 0.000 0.815 345 A HN 0.417 nan 8.150 nan 0.000 0.449 346 I N 0.022 120.600 120.570 0.013 0.000 2.188 346 I HA -0.095 4.067 4.170 -0.014 0.000 0.237 346 I C -0.367 175.777 176.117 0.045 0.000 1.073 346 I CA 1.118 62.422 61.300 0.007 0.000 1.359 346 I CB -1.195 36.807 38.000 0.005 0.000 1.083 346 I HN 0.207 nan 8.210 nan 0.000 0.412 347 P HA -0.181 nan 4.420 nan 0.000 0.222 347 P C 1.204 178.503 177.300 -0.001 0.000 1.147 347 P CA 1.542 64.668 63.100 0.044 0.000 0.790 347 P CB 0.053 31.793 31.700 0.066 0.000 0.780 348 E N 0.176 120.456 120.200 0.133 0.000 2.107 348 E HA -0.121 4.221 4.350 -0.014 0.000 0.191 348 E C 1.890 178.466 176.600 -0.040 0.000 0.982 348 E CA 0.524 57.004 56.400 0.133 0.000 0.809 348 E CB -1.167 28.696 29.700 0.271 0.000 0.756 348 E HN 0.008 nan 8.360 nan 0.000 0.459 349 L N 0.022 121.204 121.223 -0.069 0.000 2.056 349 L HA -0.064 4.268 4.340 -0.014 0.000 0.207 349 L C 2.014 178.753 176.870 -0.219 0.000 1.078 349 L CA 1.699 56.446 54.840 -0.155 0.000 0.749 349 L CB -0.606 41.376 42.059 -0.128 0.000 0.901 349 L HN 0.211 nan 8.230 nan 0.000 0.433 350 M N -0.665 118.829 119.600 -0.177 0.000 2.108 350 M HA -0.220 4.251 4.480 -0.014 0.000 0.261 350 M C 2.433 178.594 176.300 -0.231 0.000 1.066 350 M CA 1.563 56.732 55.300 -0.218 0.000 1.107 350 M CB -1.212 31.290 32.600 -0.164 0.000 1.356 350 M HN 0.339 nan 8.290 nan 0.000 0.406 351 R N -0.067 120.294 120.500 -0.231 0.000 2.083 351 R HA -0.137 4.195 4.340 -0.014 0.000 0.237 351 R C 2.074 178.258 176.300 -0.193 0.000 1.137 351 R CA 1.712 57.662 56.100 -0.249 0.000 0.951 351 R CB -0.201 29.870 30.300 -0.382 0.000 0.851 351 R HN 0.213 nan 8.270 nan 0.000 0.434 352 V N 1.356 121.157 119.914 -0.188 0.000 2.343 352 V HA -0.237 3.875 4.120 -0.014 0.000 0.247 352 V C 2.361 178.294 176.094 -0.268 0.000 1.051 352 V CA 1.627 63.812 62.300 -0.190 0.000 1.036 352 V CB -0.348 31.359 31.823 -0.193 0.000 0.654 352 V HN 0.353 nan 8.190 nan 0.000 0.451 353 L N -0.946 120.063 121.223 -0.355 0.000 2.141 353 L HA -0.098 4.234 4.340 -0.014 0.000 0.209 353 L C 2.332 179.030 176.870 -0.287 0.000 1.094 353 L CA 0.913 55.487 54.840 -0.443 0.000 0.763 353 L CB -0.425 41.321 42.059 -0.522 0.000 0.908 353 L HN 0.201 nan 8.230 nan 0.000 0.437 354 V N -0.649 119.139 119.914 -0.210 0.000 2.374 354 V HA -0.146 3.965 4.120 -0.014 0.000 0.241 354 V C 1.930 177.973 176.094 -0.086 0.000 1.034 354 V CA 1.487 63.714 62.300 -0.122 0.000 1.037 354 V CB -0.094 31.676 31.823 -0.088 0.000 0.682 354 V HN 0.316 nan 8.190 nan 0.000 0.463 355 D N 0.115 120.458 120.400 -0.096 0.000 2.091 355 D HA -0.050 4.581 4.640 -0.014 0.000 0.199 355 D C 2.064 178.327 176.300 -0.063 0.000 0.980 355 D CA 1.324 55.281 54.000 -0.071 0.000 0.831 355 D CB -0.087 40.666 40.800 -0.078 0.000 0.987 355 D HN 0.276 nan 8.370 nan 0.000 0.460 356 L N -0.222 120.951 121.223 -0.083 0.000 2.202 356 L HA 0.090 4.421 4.340 -0.014 0.000 0.205 356 L C 1.892 178.725 176.870 -0.062 0.000 1.083 356 L CA 0.727 55.529 54.840 -0.063 0.000 0.790 356 L CB -0.085 41.936 42.059 -0.063 0.000 0.942 356 L HN -0.091 nan 8.230 nan 0.000 0.452 357 E N -0.215 119.919 120.200 -0.111 0.000 2.472 357 E HA 0.030 4.371 4.350 -0.014 0.000 0.196 357 E C 0.154 176.713 176.600 -0.068 0.000 1.033 357 E CA -0.077 56.261 56.400 -0.103 0.000 0.886 357 E CB 0.399 29.946 29.700 -0.256 0.000 0.944 357 E HN 0.026 nan 8.360 nan 0.000 0.492 358 R N -0.766 119.692 120.500 -0.069 0.000 3.776 358 R HA -0.182 4.150 4.340 -0.014 0.000 0.312 358 R C -0.760 175.525 176.300 -0.024 0.000 1.181 358 R CA 0.329 56.410 56.100 -0.031 0.000 0.836 358 R CB -2.791 27.508 30.300 -0.002 0.000 1.324 358 R HN 0.126 nan 8.270 nan 0.000 0.501 359 L N 1.733 122.919 121.223 -0.063 0.000 2.466 359 L HA 0.184 4.516 4.340 -0.014 0.000 0.257 359 L C 1.450 178.315 176.870 -0.008 0.000 1.189 359 L CA 0.191 55.008 54.840 -0.038 0.000 0.813 359 L CB 0.323 42.327 42.059 -0.091 0.000 1.118 359 L HN 0.114 nan 8.230 nan 0.000 0.471 360 D N -0.658 119.761 120.400 0.031 0.000 2.339 360 D HA -0.101 4.530 4.640 -0.014 0.000 0.245 360 D C 0.773 177.141 176.300 0.113 0.000 1.115 360 D CA -0.513 53.537 54.000 0.083 0.000 0.917 360 D CB 0.700 41.555 40.800 0.092 0.000 1.192 360 D HN 0.616 nan 8.370 nan 0.000 0.428 361 W N 1.852 123.152 121.300 0.000 0.000 2.318 361 W HA -0.203 4.449 4.660 -0.014 0.000 0.313 361 W C 1.751 178.305 176.519 0.058 0.000 1.221 361 W CA 1.776 59.125 57.345 0.008 0.000 1.266 361 W CB 0.016 29.461 29.460 -0.026 0.000 1.150 361 W HN 0.469 nan 8.180 nan 0.000 0.496 362 D N -0.357 120.303 120.400 0.433 0.000 2.149 362 D HA -0.176 4.456 4.640 -0.014 0.000 0.201 362 D C 2.070 178.490 176.300 0.199 0.000 0.972 362 D CA 1.013 55.241 54.000 0.379 0.000 0.835 362 D CB -0.151 40.826 40.800 0.295 0.000 0.966 362 D HN 0.029 nan 8.370 nan 0.000 0.476 363 K N 1.409 121.877 120.400 0.113 0.000 2.025 363 K HA -0.032 4.280 4.320 -0.014 0.000 0.207 363 K C 1.887 178.477 176.600 -0.017 0.000 1.049 363 K CA 0.905 57.224 56.287 0.054 0.000 0.933 363 K CB -0.471 32.052 32.500 0.039 0.000 0.714 363 K HN -0.009 nan 8.250 nan 0.000 0.438 364 A N 0.015 122.782 122.820 -0.088 0.000 2.121 364 A HA -0.154 4.158 4.320 -0.014 0.000 0.218 364 A C 2.031 179.492 177.584 -0.205 0.000 1.154 364 A CA 0.895 52.809 52.037 -0.205 0.000 0.679 364 A CB -0.781 18.050 19.000 -0.282 0.000 0.795 364 A HN 0.629 nan 8.150 nan 0.000 0.458 365 W N 0.116 121.155 121.300 -0.434 0.000 2.523 365 W HA -0.029 4.622 4.660 -0.013 0.000 0.278 365 W C 1.870 178.284 176.519 -0.175 0.000 1.236 365 W CA 1.109 58.189 57.345 -0.442 0.000 1.306 365 W CB 0.104 29.233 29.460 -0.550 0.000 1.101 365 W HN 0.538 nan 8.180 nan 0.000 0.577 366 E N 0.406 120.583 120.200 -0.039 0.000 2.072 366 E HA -0.179 4.163 4.350 -0.014 0.000 0.191 366 E C 2.029 178.553 176.600 -0.127 0.000 0.985 366 E CA 1.325 57.684 56.400 -0.069 0.000 0.801 366 E CB -0.233 29.487 29.700 0.032 0.000 0.750 366 E HN 0.044 nan 8.360 nan 0.000 0.452 367 V N 0.942 120.795 119.914 -0.102 0.000 2.295 367 V HA -0.262 3.850 4.120 -0.014 0.000 0.246 367 V C 2.448 178.464 176.094 -0.131 0.000 1.049 367 V CA 2.209 64.463 62.300 -0.077 0.000 1.024 367 V CB -0.781 30.993 31.823 -0.082 0.000 0.648 367 V HN 0.359 nan 8.190 nan 0.000 0.447 368 T N 0.843 115.247 114.554 -0.250 0.000 2.622 368 T HA -0.212 4.130 4.350 -0.014 0.000 0.266 368 T C 1.943 176.430 174.700 -0.354 0.000 1.047 368 T CA 2.213 64.133 62.100 -0.300 0.000 1.159 368 T CB -0.491 68.132 68.868 -0.409 0.000 0.863 368 T HN 0.509 nan 8.240 nan 0.000 0.422 369 V N 0.613 120.195 119.914 -0.553 0.000 2.407 369 V HA -0.128 3.984 4.120 -0.014 0.000 0.248 369 V C 2.079 178.072 176.094 -0.168 0.000 1.055 369 V CA 1.513 63.578 62.300 -0.391 0.000 1.049 369 V CB -0.795 30.763 31.823 -0.442 0.000 0.662 369 V HN 0.399 nan 8.190 nan 0.000 0.455 370 K N 0.389 120.658 120.400 -0.218 0.000 2.283 370 K HA -0.083 4.229 4.320 -0.014 0.000 0.202 370 K C 2.272 178.664 176.600 -0.347 0.000 1.048 370 K CA 1.615 57.710 56.287 -0.321 0.000 0.948 370 K CB -0.256 32.120 32.500 -0.207 0.000 0.742 370 K HN 0.666 nan 8.250 nan 0.000 0.458 371 T N -0.809 113.662 114.554 -0.140 0.000 3.037 371 T HA 0.060 4.402 4.350 -0.014 0.000 0.251 371 T C 0.635 175.374 174.700 0.066 0.000 1.079 371 T CA -0.162 61.901 62.100 -0.062 0.000 1.067 371 T CB 0.040 68.890 68.868 -0.031 0.000 0.948 371 T HN 0.076 nan 8.240 nan 0.000 0.496 372 C N 2.340 121.698 119.300 0.097 0.000 2.365 372 C HA 0.946 5.398 4.460 -0.014 0.000 0.349 372 C C 0.429 175.564 174.990 0.242 0.000 1.191 372 C CA -0.830 58.271 59.018 0.139 0.000 2.114 372 C CB 0.675 28.429 27.740 0.023 0.000 2.367 372 C HN 0.696 nan 8.230 nan 0.000 0.530 373 A N 1.366 124.304 122.820 0.197 0.000 2.549 373 A HA 0.733 5.045 4.320 -0.014 0.000 0.297 373 A C -1.787 175.905 177.584 0.179 0.000 1.061 373 A CA -0.360 51.751 52.037 0.123 0.000 0.690 373 A CB 1.117 20.203 19.000 0.143 0.000 1.287 373 A HN 0.927 nan 8.150 nan 0.000 0.402 374 Y N 1.105 121.382 120.300 -0.039 0.000 2.350 374 Y HA 0.665 5.207 4.550 -0.013 0.000 0.338 374 Y C -0.498 175.396 175.900 -0.009 0.000 0.961 374 Y CA -0.616 57.463 58.100 -0.036 0.000 1.100 374 Y CB 1.918 40.309 38.460 -0.114 0.000 1.179 374 Y HN 0.567 nan 8.280 nan 0.000 0.454 375 T N 6.890 121.322 114.554 -0.202 0.000 2.749 375 T HA 0.213 4.555 4.350 -0.014 0.000 0.287 375 T C -0.505 173.830 174.700 -0.607 0.000 0.970 375 T CA -0.754 61.153 62.100 -0.322 0.000 0.980 375 T CB 0.277 69.122 68.868 -0.039 0.000 0.924 375 T HN 0.658 nan 8.240 nan 0.000 0.456 376 N N 1.752 120.046 118.700 -0.676 0.000 2.479 376 N HA 0.108 4.839 4.740 -0.014 0.000 0.285 376 N C 0.173 175.582 175.510 -0.167 0.000 1.075 376 N CA -0.252 52.565 53.050 -0.389 0.000 0.967 376 N CB 0.724 39.109 38.487 -0.169 0.000 1.137 376 N HN 0.659 nan 8.380 nan 0.000 0.472 377 H N 0.979 120.050 119.070 0.001 0.000 2.986 377 H HA 0.150 4.698 4.556 -0.014 0.000 0.267 377 H C -0.095 175.127 175.328 -0.177 0.000 1.072 377 H CA 0.100 56.096 56.048 -0.087 0.000 1.202 377 H CB 1.266 30.990 29.762 -0.063 0.000 1.535 377 H HN 0.518 nan 8.280 nan 0.000 0.522 378 T N -0.151 114.429 114.554 0.042 0.000 2.769 378 T HA 0.293 4.635 4.350 -0.014 0.000 0.306 378 T C 0.662 175.412 174.700 0.084 0.000 1.400 378 T CA -0.177 61.903 62.100 -0.033 0.000 1.007 378 T CB 1.387 70.210 68.868 -0.074 0.000 1.392 378 T HN -0.062 nan 8.240 nan 0.000 0.500 379 V N 0.278 120.185 119.914 -0.011 0.000 3.570 379 V HA 0.530 4.642 4.120 -0.014 0.000 0.257 379 V C 0.932 176.974 176.094 -0.086 0.000 1.272 379 V CA 0.083 62.358 62.300 -0.043 0.000 1.079 379 V CB -0.497 31.304 31.823 -0.037 0.000 0.829 379 V HN 0.758 nan 8.190 nan 0.000 0.454 380 I N 3.245 123.736 120.570 -0.131 0.000 2.587 380 I HA 0.167 4.329 4.170 -0.014 0.000 0.284 380 I C -0.671 175.417 176.117 -0.048 0.000 1.134 380 I CA -1.270 59.965 61.300 -0.109 0.000 1.410 380 I CB 0.416 38.285 38.000 -0.217 0.000 1.392 380 I HN 0.095 nan 8.210 nan 0.000 0.545 381 P HA -0.214 nan 4.420 nan 0.000 0.219 381 P C 0.912 178.224 177.300 0.020 0.000 1.146 381 P CA 1.414 64.511 63.100 -0.006 0.000 0.808 381 P CB 0.052 31.753 31.700 0.002 0.000 0.779 382 E N -0.010 120.228 120.200 0.063 0.000 2.502 382 E HA 0.064 4.406 4.350 -0.014 0.000 0.194 382 E C 1.567 178.264 176.600 0.161 0.000 1.062 382 E CA 0.462 56.940 56.400 0.130 0.000 0.867 382 E CB -0.482 29.334 29.700 0.194 0.000 0.888 382 E HN 0.163 nan 8.360 nan 0.000 0.510 383 A N 1.222 124.090 122.820 0.081 0.000 2.081 383 A HA 0.138 4.450 4.320 -0.014 0.000 0.214 383 A C 1.305 178.904 177.584 0.025 0.000 1.158 383 A CA -0.176 51.917 52.037 0.094 0.000 0.724 383 A CB -0.057 18.962 19.000 0.030 0.000 0.826 383 A HN 0.201 nan 8.150 nan 0.000 0.463 384 L N 1.897 123.083 121.223 -0.061 0.000 2.540 384 L HA 0.033 4.364 4.340 -0.014 0.000 0.276 384 L C -0.036 176.476 176.870 -0.597 0.000 1.212 384 L CA 0.800 55.523 54.840 -0.195 0.000 0.893 384 L CB -0.084 41.893 42.059 -0.137 0.000 1.138 384 L HN 0.447 nan 8.230 nan 0.000 0.491 385 E N 5.191 124.938 120.200 -0.754 0.000 2.194 385 E HA 0.292 4.634 4.350 -0.014 0.000 0.284 385 E C -0.513 175.496 176.600 -0.985 0.000 1.035 385 E CA -0.369 55.108 56.400 -1.538 0.000 0.836 385 E CB 0.863 30.046 29.700 -0.862 0.000 1.070 385 E HN 0.371 nan 8.360 nan 0.000 0.401 386 R N 3.484 123.366 120.500 -1.030 0.000 2.576 386 R HA 0.187 4.519 4.340 -0.014 0.000 0.283 386 R C -1.301 174.969 176.300 -0.051 0.000 1.493 386 R CA -0.517 55.387 56.100 -0.327 0.000 1.170 386 R CB 0.816 31.002 30.300 -0.191 0.000 1.189 386 R HN 0.482 nan 8.270 nan 0.000 0.542 387 W N 5.273 126.592 121.300 0.033 0.000 2.304 387 W HA 0.204 4.855 4.660 -0.014 0.000 0.313 387 W C -1.703 174.809 176.519 -0.011 0.000 1.323 387 W CA -1.839 55.575 57.345 0.115 0.000 1.223 387 W CB 0.864 30.361 29.460 0.061 0.000 1.237 387 W HN 0.232 nan 8.180 nan 0.000 0.535 388 P HA -0.047 nan 4.420 nan 0.000 0.271 388 P C 0.662 177.862 177.300 -0.166 0.000 1.216 388 P CA 0.134 63.186 63.100 -0.081 0.000 0.771 388 P CB 1.595 33.096 31.700 -0.331 0.000 0.864 389 V N 3.820 123.678 119.914 -0.093 0.000 2.250 389 V HA -0.313 3.799 4.120 -0.014 0.000 0.250 389 V C 2.466 178.543 176.094 -0.029 0.000 1.060 389 V CA 2.828 65.106 62.300 -0.037 0.000 1.030 389 V CB -2.091 29.777 31.823 0.076 0.000 0.643 389 V HN 0.758 nan 8.190 nan 0.000 0.445 390 H N -1.049 118.065 119.070 0.072 0.000 2.492 390 H HA -0.170 4.378 4.556 -0.014 0.000 0.296 390 H C 1.763 177.117 175.328 0.044 0.000 1.095 390 H CA 1.770 57.854 56.048 0.060 0.000 1.281 390 H CB -0.595 29.207 29.762 0.066 0.000 1.374 390 H HN 0.354 nan 8.280 nan 0.000 0.545 391 L N 0.117 121.330 121.223 -0.017 0.000 2.068 391 L HA 0.041 4.373 4.340 -0.014 0.000 0.204 391 L C 2.378 179.202 176.870 -0.077 0.000 1.076 391 L CA 1.170 56.018 54.840 0.014 0.000 0.753 391 L CB -0.580 41.455 42.059 -0.040 0.000 0.910 391 L HN 0.352 nan 8.230 nan 0.000 0.439 392 L N -0.508 120.636 121.223 -0.131 0.000 2.141 392 L HA -0.174 4.157 4.340 -0.014 0.000 0.209 392 L C 2.390 179.173 176.870 -0.145 0.000 1.094 392 L CA 1.297 56.018 54.840 -0.197 0.000 0.763 392 L CB -0.575 41.353 42.059 -0.219 0.000 0.908 392 L HN 0.443 nan 8.230 nan 0.000 0.437 393 E N -0.971 119.194 120.200 -0.059 0.000 2.285 393 E HA -0.110 4.232 4.350 -0.014 0.000 0.194 393 E C 1.727 178.343 176.600 0.026 0.000 0.997 393 E CA 1.203 57.592 56.400 -0.019 0.000 0.845 393 E CB -0.231 29.494 29.700 0.042 0.000 0.782 393 E HN 0.265 nan 8.360 nan 0.000 0.491 394 T N 1.241 115.827 114.554 0.054 0.000 2.698 394 T HA -0.072 4.270 4.350 -0.014 0.000 0.260 394 T C 1.643 176.400 174.700 0.096 0.000 1.044 394 T CA 1.086 63.259 62.100 0.122 0.000 1.149 394 T CB -0.147 68.817 68.868 0.161 0.000 0.864 394 T HN 0.071 nan 8.240 nan 0.000 0.419 395 L N -0.215 120.969 121.223 -0.063 0.000 2.202 395 L HA 0.382 4.714 4.340 -0.014 0.000 0.205 395 L C 0.391 177.155 176.870 -0.177 0.000 1.083 395 L CA 1.436 56.122 54.840 -0.255 0.000 0.790 395 L CB 0.095 41.983 42.059 -0.285 0.000 0.942 395 L HN 0.176 nan 8.230 nan 0.000 0.452 396 L N 0.970 122.048 121.223 -0.241 0.000 2.625 396 L HA 0.294 4.625 4.340 -0.014 0.000 0.255 396 L C -1.706 174.921 176.870 -0.405 0.000 1.493 396 L CA -0.759 53.821 54.840 -0.433 0.000 0.796 396 L CB 0.951 42.604 42.059 -0.676 0.000 1.064 396 L HN -0.052 nan 8.230 nan 0.000 0.516 397 P HA -0.162 nan 4.420 nan 0.000 0.219 397 P C 1.410 178.516 177.300 -0.324 0.000 1.150 397 P CA 0.998 63.970 63.100 -0.212 0.000 0.814 397 P CB 0.433 32.099 31.700 -0.057 0.000 0.787 398 R N -0.175 119.960 120.500 -0.609 0.000 2.090 398 R HA -0.110 4.221 4.340 -0.014 0.000 0.228 398 R C 2.284 178.322 176.300 -0.437 0.000 1.110 398 R CA 1.513 57.292 56.100 -0.535 0.000 0.973 398 R CB -1.275 28.561 30.300 -0.774 0.000 0.869 398 R HN 0.209 nan 8.270 nan 0.000 0.440 399 H N -0.230 118.510 119.070 -0.550 0.000 2.395 399 H HA -0.015 4.533 4.556 -0.014 0.000 0.299 399 H C 1.728 176.866 175.328 -0.317 0.000 1.070 399 H CA 1.391 57.204 56.048 -0.392 0.000 1.356 399 H CB -0.121 29.382 29.762 -0.432 0.000 1.401 399 H HN 0.076 nan 8.280 nan 0.000 0.524 400 L N 0.584 121.672 121.223 -0.225 0.000 2.079 400 L HA -0.273 4.059 4.340 -0.014 0.000 0.210 400 L C 2.206 178.859 176.870 -0.361 0.000 1.081 400 L CA 1.761 56.396 54.840 -0.343 0.000 0.752 400 L CB -0.358 41.500 42.059 -0.335 0.000 0.896 400 L HN 0.411 nan 8.230 nan 0.000 0.433 401 Q N -0.200 119.501 119.800 -0.165 0.000 2.119 401 Q HA -0.205 4.127 4.340 -0.014 0.000 0.201 401 Q C 2.233 178.236 176.000 0.006 0.000 0.972 401 Q CA 1.539 57.339 55.803 -0.006 0.000 0.847 401 Q CB 0.021 28.752 28.738 -0.012 0.000 0.903 401 Q HN 0.571 nan 8.270 nan 0.000 0.433 402 I N 0.221 120.758 120.570 -0.056 0.000 2.202 402 I HA -0.275 3.887 4.170 -0.014 0.000 0.242 402 I C 2.076 178.217 176.117 0.040 0.000 1.091 402 I CA 0.907 62.214 61.300 0.012 0.000 1.368 402 I CB -0.143 37.815 38.000 -0.070 0.000 1.058 402 I HN 0.250 nan 8.210 nan 0.000 0.410 403 I N -0.302 120.247 120.570 -0.036 0.000 2.335 403 I HA -0.323 3.839 4.170 -0.014 0.000 0.251 403 I C 2.314 178.455 176.117 0.039 0.000 1.129 403 I CA 1.478 62.760 61.300 -0.031 0.000 1.402 403 I CB -0.390 37.531 38.000 -0.132 0.000 1.069 403 I HN 0.218 nan 8.210 nan 0.000 0.424 404 Y N 0.625 120.931 120.300 0.010 0.000 2.220 404 Y HA -0.187 4.355 4.550 -0.014 0.000 0.291 404 Y C 2.594 178.479 175.900 -0.026 0.000 1.129 404 Y CA 1.157 59.257 58.100 -0.000 0.000 1.161 404 Y CB -0.665 37.788 38.460 -0.011 0.000 0.997 404 Y HN 0.137 nan 8.280 nan 0.000 0.522 405 E N 0.508 120.778 120.200 0.116 0.000 2.106 405 E HA -0.123 4.219 4.350 -0.014 0.000 0.192 405 E C 2.021 178.567 176.600 -0.090 0.000 0.984 405 E CA 1.109 57.483 56.400 -0.044 0.000 0.806 405 E CB -0.508 29.150 29.700 -0.069 0.000 0.750 405 E HN 0.463 nan 8.360 nan 0.000 0.458 406 I N 0.657 121.254 120.570 0.046 0.000 2.179 406 I HA -0.292 3.869 4.170 -0.014 0.000 0.242 406 I C 2.286 178.428 176.117 0.042 0.000 1.088 406 I CA 1.395 62.695 61.300 0.001 0.000 1.357 406 I CB -0.451 37.547 38.000 -0.003 0.000 1.051 406 I HN 0.210 nan 8.210 nan 0.000 0.409 407 N N 0.934 119.701 118.700 0.111 0.000 2.069 407 N HA -0.301 4.431 4.740 -0.014 0.000 0.191 407 N C 1.853 177.454 175.510 0.151 0.000 1.031 407 N CA 1.931 55.094 53.050 0.188 0.000 0.852 407 N CB -0.208 38.406 38.487 0.210 0.000 1.018 407 N HN 0.375 nan 8.380 nan 0.000 0.423 408 Q N 0.112 119.941 119.800 0.048 0.000 2.030 408 Q HA -0.109 4.223 4.340 -0.014 0.000 0.204 408 Q C 1.975 177.935 176.000 -0.067 0.000 0.986 408 Q CA 1.611 57.397 55.803 -0.028 0.000 0.843 408 Q CB -0.070 28.615 28.738 -0.088 0.000 0.904 408 Q HN 0.365 nan 8.270 nan 0.000 0.420 409 R N -0.762 119.658 120.500 -0.134 0.000 2.148 409 R HA -0.080 4.251 4.340 -0.014 0.000 0.223 409 R C 2.121 178.415 176.300 -0.010 0.000 1.088 409 R CA 1.014 57.015 56.100 -0.165 0.000 0.985 409 R CB -0.296 29.769 30.300 -0.393 0.000 0.880 409 R HN 0.300 nan 8.270 nan 0.000 0.451 410 F N 1.533 121.453 119.950 -0.050 0.000 2.084 410 F HA -0.064 4.455 4.527 -0.014 0.000 0.296 410 F C 1.797 177.618 175.800 0.036 0.000 1.111 410 F CA 1.280 59.305 58.000 0.043 0.000 1.224 410 F CB -0.268 38.793 39.000 0.101 0.000 0.991 410 F HN -0.151 nan 8.300 nan 0.000 0.471 411 L N 0.301 121.454 121.223 -0.117 0.000 2.362 411 L HA -0.191 4.140 4.340 -0.014 0.000 0.219 411 L C 1.633 178.407 176.870 -0.159 0.000 1.134 411 L CA 0.722 55.450 54.840 -0.187 0.000 0.807 411 L CB -0.786 41.250 42.059 -0.038 0.000 0.927 411 L HN 0.163 nan 8.230 nan 0.000 0.447 412 N N 0.132 118.759 118.700 -0.121 0.000 2.457 412 N HA -0.068 4.664 4.740 -0.014 0.000 0.180 412 N C 1.803 177.246 175.510 -0.111 0.000 1.050 412 N CA 0.725 53.714 53.050 -0.102 0.000 0.906 412 N CB 0.022 38.454 38.487 -0.091 0.000 0.968 412 N HN 0.299 nan 8.380 nan 0.000 0.445 413 R N -0.320 120.089 120.500 -0.151 0.000 2.100 413 R HA 0.119 4.451 4.340 -0.014 0.000 0.220 413 R C 1.870 178.070 176.300 -0.167 0.000 1.091 413 R CA 0.447 56.466 56.100 -0.136 0.000 0.986 413 R CB -0.161 30.070 30.300 -0.116 0.000 0.888 413 R HN -0.003 nan 8.270 nan 0.000 0.444 414 V N 1.203 120.965 119.914 -0.254 0.000 2.237 414 V HA -0.251 3.861 4.120 -0.014 0.000 0.245 414 V C 2.429 178.522 176.094 -0.003 0.000 1.046 414 V CA 2.153 64.371 62.300 -0.136 0.000 1.007 414 V CB -0.719 30.926 31.823 -0.296 0.000 0.638 414 V HN 0.399 nan 8.190 nan 0.000 0.445 415 A N -0.185 122.604 122.820 -0.052 0.000 1.972 415 A HA -0.114 4.198 4.320 -0.014 0.000 0.219 415 A C 2.358 179.918 177.584 -0.041 0.000 1.169 415 A CA 2.083 54.106 52.037 -0.023 0.000 0.635 415 A CB -0.724 18.250 19.000 -0.042 0.000 0.810 415 A HN 0.601 nan 8.150 nan 0.000 0.446 416 A N -0.529 122.247 122.820 -0.073 0.000 1.969 416 A HA 0.261 4.573 4.320 -0.014 0.000 0.218 416 A C 2.356 179.862 177.584 -0.130 0.000 1.169 416 A CA 1.784 53.770 52.037 -0.084 0.000 0.635 416 A CB -0.644 18.308 19.000 -0.080 0.000 0.810 416 A HN 0.974 nan 8.150 nan 0.000 0.445 417 A N -1.863 120.841 122.820 -0.193 0.000 2.030 417 A HA 0.408 4.720 4.320 -0.014 0.000 0.215 417 A C 0.433 177.660 177.584 -0.595 0.000 1.164 417 A CA 0.467 52.245 52.037 -0.432 0.000 0.697 417 A CB -0.090 18.546 19.000 -0.606 0.000 0.827 417 A HN 0.402 nan 8.150 nan 0.000 0.457 418 F N 0.909 120.809 119.950 -0.083 0.000 2.584 418 F HA 0.296 4.815 4.527 -0.014 0.000 0.328 418 F C -2.567 173.194 175.800 -0.065 0.000 1.407 418 F CA -2.775 55.181 58.000 -0.073 0.000 1.145 418 F CB 1.247 40.194 39.000 -0.087 0.000 1.440 418 F HN 0.011 nan 8.300 nan 0.000 0.580 419 P HA 0.236 nan 4.420 nan 0.000 0.271 419 P C 0.862 178.178 177.300 0.026 0.000 1.220 419 P CA 0.807 63.918 63.100 0.017 0.000 0.768 419 P CB 1.692 33.383 31.700 -0.015 0.000 0.848 420 G N 2.890 111.699 108.800 0.015 0.000 2.268 420 G HA2 -0.229 3.723 3.960 -0.014 0.000 0.240 420 G HA3 -0.229 3.723 3.960 -0.014 0.000 0.240 420 G C 0.309 175.215 174.900 0.011 0.000 1.010 420 G CA 0.108 45.214 45.100 0.009 0.000 0.618 420 G HN 0.603 nan 8.290 nan 0.000 0.516 421 D N 1.218 121.634 120.400 0.026 0.000 2.498 421 D HA 0.400 5.031 4.640 -0.014 0.000 0.229 421 D C 1.497 177.782 176.300 -0.025 0.000 1.188 421 D CA 0.463 54.462 54.000 -0.001 0.000 1.028 421 D CB 0.702 41.498 40.800 -0.006 0.000 1.087 421 D HN 0.153 nan 8.370 nan 0.000 0.510 422 V N 2.876 122.778 119.914 -0.020 0.000 2.809 422 V HA -0.148 3.964 4.120 -0.014 0.000 0.256 422 V C 1.592 177.670 176.094 -0.026 0.000 1.080 422 V CA 1.573 63.860 62.300 -0.020 0.000 1.102 422 V CB 0.030 31.846 31.823 -0.013 0.000 0.705 422 V HN 0.396 nan 8.190 nan 0.000 0.475 423 D N -0.627 119.753 120.400 -0.033 0.000 2.289 423 D HA -0.131 4.501 4.640 -0.014 0.000 0.207 423 D C 2.257 178.526 176.300 -0.051 0.000 0.966 423 D CA 0.746 54.728 54.000 -0.030 0.000 0.868 423 D CB -0.050 40.734 40.800 -0.027 0.000 0.943 423 D HN 0.394 nan 8.370 nan 0.000 0.514 424 R N 0.030 120.473 120.500 -0.095 0.000 2.073 424 R HA -0.115 4.217 4.340 -0.014 0.000 0.234 424 R C 1.936 178.164 176.300 -0.120 0.000 1.134 424 R CA 0.951 56.956 56.100 -0.159 0.000 0.952 424 R CB -0.320 29.823 30.300 -0.263 0.000 0.850 424 R HN 0.162 nan 8.270 nan 0.000 0.433 425 L N 1.757 122.930 121.223 -0.084 0.000 2.051 425 L HA -0.250 4.082 4.340 -0.014 0.000 0.214 425 L C 2.670 179.540 176.870 0.000 0.000 1.076 425 L CA 1.962 56.774 54.840 -0.047 0.000 0.758 425 L CB -1.340 40.700 42.059 -0.031 0.000 0.890 425 L HN 0.458 nan 8.230 nan 0.000 0.433 426 R N 0.479 120.987 120.500 0.013 0.000 2.200 426 R HA -0.061 4.271 4.340 -0.014 0.000 0.208 426 R C 2.009 178.361 176.300 0.086 0.000 1.033 426 R CA 0.667 56.797 56.100 0.050 0.000 1.000 426 R CB -0.181 30.141 30.300 0.038 0.000 0.906 426 R HN 0.332 nan 8.270 nan 0.000 0.462 427 R N -0.169 120.367 120.500 0.059 0.000 2.119 427 R HA 0.162 4.493 4.340 -0.014 0.000 0.222 427 R C 2.297 178.687 176.300 0.149 0.000 1.088 427 R CA 1.325 57.490 56.100 0.109 0.000 0.984 427 R CB -0.112 30.215 30.300 0.044 0.000 0.884 427 R HN 0.216 nan 8.270 nan 0.000 0.447 428 M N 0.251 119.858 119.600 0.012 0.000 2.388 428 M HA 0.028 4.500 4.480 -0.014 0.000 0.265 428 M C 0.874 177.308 176.300 0.224 0.000 1.088 428 M CA 0.248 55.514 55.300 -0.056 0.000 1.134 428 M CB 0.194 32.645 32.600 -0.247 0.000 1.384 428 M HN -0.083 nan 8.290 nan 0.000 0.447 429 S N 1.306 117.154 115.700 0.247 0.000 2.715 429 S HA -0.062 4.400 4.470 -0.014 0.000 0.318 429 S C 1.072 175.939 174.600 0.444 0.000 1.242 429 S CA -0.001 58.383 58.200 0.306 0.000 1.044 429 S CB 0.281 63.608 63.200 0.212 0.000 0.760 429 S HN 0.305 nan 8.310 nan 0.000 0.501 430 L N 4.381 125.827 121.223 0.371 0.000 2.552 430 L HA 0.108 4.440 4.340 -0.014 0.000 0.227 430 L C 0.059 177.057 176.870 0.213 0.000 1.146 430 L CA 0.143 55.171 54.840 0.313 0.000 0.858 430 L CB -0.398 41.783 42.059 0.205 0.000 0.969 430 L HN 0.348 nan 8.230 nan 0.000 0.451 431 V N 0.153 120.199 119.914 0.220 0.000 2.334 431 V HA 0.210 4.322 4.120 -0.014 0.000 0.281 431 V C -0.071 176.117 176.094 0.155 0.000 1.016 431 V CA -0.611 61.803 62.300 0.192 0.000 0.832 431 V CB 1.517 33.486 31.823 0.244 0.000 0.999 431 V HN 0.125 nan 8.190 nan 0.000 0.439 432 E N 3.975 124.247 120.200 0.120 0.000 2.052 432 E HA 0.239 4.581 4.350 -0.014 0.000 0.283 432 E C -0.011 176.643 176.600 0.090 0.000 1.071 432 E CA -0.373 56.086 56.400 0.098 0.000 0.851 432 E CB 0.625 30.363 29.700 0.064 0.000 1.066 432 E HN 0.598 nan 8.360 nan 0.000 0.396 433 E N 1.524 121.775 120.200 0.085 0.000 2.392 433 E HA 0.484 4.825 4.350 -0.014 0.000 0.256 433 E C 0.489 177.128 176.600 0.064 0.000 1.145 433 E CA -0.083 56.360 56.400 0.072 0.000 0.929 433 E CB 1.297 31.032 29.700 0.058 0.000 0.998 433 E HN 0.694 nan 8.360 nan 0.000 0.442 434 G N -1.133 107.703 108.800 0.060 0.000 2.343 434 G HA2 0.283 4.234 3.960 -0.014 0.000 0.289 434 G HA3 0.283 4.234 3.960 -0.014 0.000 0.289 434 G C 0.275 175.210 174.900 0.058 0.000 1.295 434 G CA 0.016 45.149 45.100 0.055 0.000 0.869 434 G HN 0.421 nan 8.290 nan 0.000 0.522 435 A N -1.083 121.771 122.820 0.057 0.000 1.865 435 A HA 0.322 4.634 4.320 -0.014 0.000 0.217 435 A C 1.285 178.917 177.584 0.080 0.000 1.191 435 A CA 2.317 54.390 52.037 0.060 0.000 0.623 435 A CB -0.529 18.504 19.000 0.054 0.000 0.826 435 A HN 1.445 nan 8.150 nan 0.000 0.444 436 V N 1.135 121.104 119.914 0.091 0.000 2.333 436 V HA 0.205 4.317 4.120 -0.014 0.000 0.274 436 V C 0.218 176.369 176.094 0.096 0.000 1.028 436 V CA -0.629 61.743 62.300 0.120 0.000 0.851 436 V CB 1.131 33.032 31.823 0.131 0.000 1.000 436 V HN 0.459 nan 8.190 nan 0.000 0.456 437 K N 5.890 126.352 120.400 0.103 0.000 2.368 437 K HA 0.435 4.747 4.320 -0.014 0.000 0.282 437 K C -0.095 176.555 176.600 0.083 0.000 1.035 437 K CA -0.150 56.195 56.287 0.097 0.000 0.973 437 K CB 0.515 33.084 32.500 0.114 0.000 0.957 437 K HN 0.644 nan 8.250 nan 0.000 0.474 438 R N 3.075 123.623 120.500 0.080 0.000 2.888 438 R HA 0.510 4.842 4.340 -0.014 0.000 0.264 438 R C -0.774 175.568 176.300 0.071 0.000 1.045 438 R CA -1.105 55.035 56.100 0.068 0.000 0.962 438 R CB 1.150 31.485 30.300 0.058 0.000 1.210 438 R HN 0.398 nan 8.270 nan 0.000 0.479 439 I N 1.550 122.159 120.570 0.066 0.000 2.404 439 I HA 0.196 4.357 4.170 -0.014 0.000 0.293 439 I C -0.400 175.724 176.117 0.011 0.000 0.992 439 I CA -0.734 60.596 61.300 0.051 0.000 1.149 439 I CB 1.520 39.538 38.000 0.031 0.000 1.315 439 I HN 0.545 nan 8.210 nan 0.000 0.446 440 N N 6.910 125.595 118.700 -0.025 0.000 2.469 440 N HA 0.123 4.855 4.740 -0.014 0.000 0.239 440 N C 0.737 176.179 175.510 -0.113 0.000 1.053 440 N CA -0.391 52.569 53.050 -0.151 0.000 0.937 440 N CB 1.027 39.300 38.487 -0.356 0.000 1.163 440 N HN 0.401 nan 8.380 nan 0.000 0.509 441 M N 2.342 121.875 119.600 -0.113 0.000 2.229 441 M HA -0.046 4.425 4.480 -0.014 0.000 0.264 441 M C 2.033 178.219 176.300 -0.189 0.000 1.063 441 M CA 0.738 55.985 55.300 -0.088 0.000 1.114 441 M CB -1.561 31.029 32.600 -0.016 0.000 1.387 441 M HN 0.594 nan 8.290 nan 0.000 0.420 442 A N -0.429 122.271 122.820 -0.201 0.000 1.933 442 A HA -0.190 4.122 4.320 -0.014 0.000 0.218 442 A C 1.999 179.381 177.584 -0.335 0.000 1.175 442 A CA 1.596 53.476 52.037 -0.262 0.000 0.628 442 A CB -1.172 17.854 19.000 0.044 0.000 0.814 442 A HN 0.600 nan 8.150 nan 0.000 0.444 443 H N -1.105 117.787 119.070 -0.296 0.000 2.353 443 H HA -0.038 4.510 4.556 -0.014 0.000 0.300 443 H C 2.128 177.258 175.328 -0.330 0.000 1.090 443 H CA 0.955 56.796 56.048 -0.346 0.000 1.327 443 H CB -0.086 29.661 29.762 -0.026 0.000 1.383 443 H HN 0.359 nan 8.280 nan 0.000 0.508 444 L N 0.333 121.491 121.223 -0.109 0.000 1.990 444 L HA -0.286 4.045 4.340 -0.014 0.000 0.213 444 L C 2.475 179.222 176.870 -0.205 0.000 1.072 444 L CA 1.437 56.209 54.840 -0.113 0.000 0.755 444 L CB -0.414 41.602 42.059 -0.072 0.000 0.889 444 L HN 0.480 nan 8.230 nan 0.000 0.432 445 C N -0.057 119.017 119.300 -0.376 0.000 2.413 445 C HA -0.199 4.253 4.460 -0.014 0.000 0.276 445 C C 2.637 177.360 174.990 -0.446 0.000 1.236 445 C CA 0.816 59.511 59.018 -0.540 0.000 1.735 445 C CB -0.775 26.248 27.740 -1.194 0.000 2.031 445 C HN 0.503 nan 8.230 nan 0.000 0.474 446 I N 1.334 121.597 120.570 -0.511 0.000 2.315 446 I HA -0.162 4.000 4.170 -0.014 0.000 0.248 446 I C 2.695 178.658 176.117 -0.257 0.000 1.117 446 I CA 1.535 62.584 61.300 -0.420 0.000 1.404 446 I CB -0.533 37.053 38.000 -0.690 0.000 1.071 446 I HN 0.268 nan 8.210 nan 0.000 0.419 447 A N 0.529 123.173 122.820 -0.294 0.000 1.930 447 A HA -0.014 4.298 4.320 -0.014 0.000 0.217 447 A C 2.167 179.778 177.584 0.045 0.000 1.175 447 A CA 1.729 53.619 52.037 -0.245 0.000 0.627 447 A CB -0.909 17.796 19.000 -0.493 0.000 0.815 447 A HN 0.463 nan 8.150 nan 0.000 0.443 448 G N -1.106 107.665 108.800 -0.047 0.000 3.575 448 G HA2 0.435 4.387 3.960 -0.014 0.000 0.273 448 G HA3 0.435 4.387 3.960 -0.014 0.000 0.273 448 G C 0.007 174.747 174.900 -0.267 0.000 1.053 448 G CA 0.328 45.275 45.100 -0.255 0.000 0.803 448 G HN 0.304 nan 8.290 nan 0.000 0.528 449 S N 0.133 115.745 115.700 -0.145 0.000 2.578 449 S HA 0.360 4.822 4.470 -0.014 0.000 0.301 449 S C 0.735 175.331 174.600 -0.008 0.000 1.091 449 S CA -0.702 57.462 58.200 -0.060 0.000 1.032 449 S CB 1.163 64.334 63.200 -0.049 0.000 1.064 449 S HN 0.508 nan 8.310 nan 0.000 0.508 450 H N -0.372 118.668 119.070 -0.051 0.000 2.553 450 H HA 0.580 5.128 4.556 -0.014 0.000 0.265 450 H C 0.045 175.379 175.328 0.011 0.000 0.964 450 H CA 0.093 56.141 56.048 -0.000 0.000 1.156 450 H CB -0.049 29.720 29.762 0.013 0.000 1.411 450 H HN 0.517 nan 8.280 nan 0.000 0.558 451 A N 0.690 123.291 122.820 -0.366 0.000 2.547 451 A HA 0.582 4.894 4.320 -0.014 0.000 0.297 451 A C -1.516 175.890 177.584 -0.296 0.000 1.056 451 A CA -0.528 51.289 52.037 -0.366 0.000 0.688 451 A CB 1.961 20.659 19.000 -0.504 0.000 1.282 451 A HN 0.077 nan 8.150 nan 0.000 0.400 452 V N 3.472 123.176 119.914 -0.351 0.000 2.789 452 V HA 0.674 4.786 4.120 -0.014 0.000 0.311 452 V C -0.770 175.131 176.094 -0.322 0.000 1.073 452 V CA -0.695 61.378 62.300 -0.378 0.000 0.921 452 V CB 2.099 33.520 31.823 -0.670 0.000 1.009 452 V HN 1.092 nan 8.190 nan 0.000 0.426 453 N N 2.142 120.668 118.700 -0.290 0.000 2.396 453 N HA 0.585 5.317 4.740 -0.014 0.000 0.275 453 N C -0.555 174.855 175.510 -0.167 0.000 1.218 453 N CA -0.408 52.518 53.050 -0.207 0.000 0.812 453 N CB 2.761 41.102 38.487 -0.245 0.000 1.592 453 N HN 0.729 nan 8.380 nan 0.000 0.480 454 G N -0.793 107.956 108.800 -0.084 0.000 2.491 454 G HA2 0.447 4.399 3.960 -0.014 0.000 0.327 454 G HA3 0.447 4.399 3.960 -0.014 0.000 0.327 454 G C 0.766 175.726 174.900 0.100 0.000 1.189 454 G CA -0.649 44.484 45.100 0.055 0.000 0.956 454 G HN 0.604 nan 8.290 nan 0.000 0.491 455 V N -2.794 117.249 119.914 0.215 0.000 3.514 455 V HA 0.658 4.769 4.120 -0.014 0.000 0.301 455 V C 0.645 176.791 176.094 0.087 0.000 1.346 455 V CA 0.287 62.631 62.300 0.073 0.000 1.156 455 V CB -1.187 30.615 31.823 -0.036 0.000 1.029 455 V HN 1.340 nan 8.190 nan 0.000 0.428 456 A N -0.334 122.554 122.820 0.114 0.000 2.590 456 A HA 0.600 4.911 4.320 -0.014 0.000 0.294 456 A C 0.637 178.260 177.584 0.063 0.000 1.046 456 A CA -0.209 51.878 52.037 0.083 0.000 0.684 456 A CB 0.920 19.960 19.000 0.067 0.000 1.279 456 A HN -0.012 nan 8.150 nan 0.000 0.415 457 R N 0.437 120.957 120.500 0.034 0.000 2.091 457 R HA -0.175 4.157 4.340 -0.014 0.000 0.238 457 R C 1.628 177.922 176.300 -0.010 0.000 1.136 457 R CA 2.434 58.535 56.100 0.001 0.000 0.959 457 R CB -0.519 29.778 30.300 -0.004 0.000 0.856 457 R HN 0.832 nan 8.270 nan 0.000 0.437 458 I N -1.707 118.863 120.570 0.000 0.000 2.202 458 I HA -0.229 3.933 4.170 -0.014 0.000 0.242 458 I C 2.409 178.525 176.117 -0.002 0.000 1.091 458 I CA 1.698 62.990 61.300 -0.013 0.000 1.368 458 I CB -1.159 36.834 38.000 -0.012 0.000 1.058 458 I HN 0.210 nan 8.210 nan 0.000 0.410 459 H N 1.949 120.990 119.070 -0.048 0.000 2.353 459 H HA -0.147 4.401 4.556 -0.014 0.000 0.298 459 H C 2.258 177.558 175.328 -0.046 0.000 1.103 459 H CA 2.155 58.172 56.048 -0.052 0.000 1.293 459 H CB -0.173 29.561 29.762 -0.048 0.000 1.372 459 H HN 0.267 nan 8.280 nan 0.000 0.501 460 S N -0.006 115.610 115.700 -0.141 0.000 2.428 460 S HA -0.075 4.387 4.470 -0.014 0.000 0.230 460 S C 1.842 176.349 174.600 -0.156 0.000 1.014 460 S CA 0.909 59.010 58.200 -0.164 0.000 0.957 460 S CB 0.058 63.213 63.200 -0.076 0.000 0.784 460 S HN 0.450 nan 8.310 nan 0.000 0.499 461 E N 1.254 121.374 120.200 -0.133 0.000 2.158 461 E HA 0.104 4.446 4.350 -0.014 0.000 0.191 461 E C 1.890 178.390 176.600 -0.167 0.000 0.982 461 E CA 0.431 56.741 56.400 -0.150 0.000 0.823 461 E CB -0.262 29.374 29.700 -0.107 0.000 0.766 461 E HN 0.483 nan 8.360 nan 0.000 0.468 462 I N 0.771 121.247 120.570 -0.156 0.000 2.394 462 I HA -0.240 3.922 4.170 -0.014 0.000 0.251 462 I C 2.181 178.180 176.117 -0.197 0.000 1.136 462 I CA 0.637 61.844 61.300 -0.155 0.000 1.425 462 I CB -0.037 37.891 38.000 -0.121 0.000 1.079 462 I HN 0.058 nan 8.210 nan 0.000 0.425 463 L N 0.099 121.187 121.223 -0.226 0.000 2.093 463 L HA -0.202 4.130 4.340 -0.014 0.000 0.208 463 L C 2.377 179.175 176.870 -0.121 0.000 1.085 463 L CA 1.417 56.162 54.840 -0.159 0.000 0.755 463 L CB -0.555 41.535 42.059 0.051 0.000 0.904 463 L HN 0.165 nan 8.230 nan 0.000 0.435 464 K N 0.088 120.335 120.400 -0.256 0.000 2.155 464 K HA -0.113 4.199 4.320 -0.014 0.000 0.203 464 K C 2.016 178.431 176.600 -0.309 0.000 1.052 464 K CA 0.972 56.960 56.287 -0.499 0.000 0.948 464 K CB 0.060 32.040 32.500 -0.867 0.000 0.728 464 K HN 0.173 nan 8.250 nan 0.000 0.448 465 K N -0.468 119.801 120.400 -0.218 0.000 2.356 465 K HA 0.051 4.363 4.320 -0.014 0.000 0.195 465 K C 0.994 177.540 176.600 -0.091 0.000 1.037 465 K CA 0.868 57.074 56.287 -0.135 0.000 1.014 465 K CB 0.627 33.056 32.500 -0.118 0.000 0.815 465 K HN 0.063 nan 8.250 nan 0.000 0.507 466 T N -0.229 114.263 114.554 -0.103 0.000 3.431 466 T HA 0.100 4.441 4.350 -0.014 0.000 0.207 466 T C 1.419 176.063 174.700 -0.093 0.000 0.979 466 T CA -0.274 61.775 62.100 -0.086 0.000 1.141 466 T CB -0.245 68.564 68.868 -0.100 0.000 1.278 466 T HN 0.059 nan 8.240 nan 0.000 0.334 467 I N 0.140 120.589 120.570 -0.202 0.000 2.315 467 I HA 0.026 4.188 4.170 -0.014 0.000 0.248 467 I C 0.246 176.217 176.117 -0.245 0.000 1.117 467 I CA 1.611 62.709 61.300 -0.337 0.000 1.404 467 I CB 0.153 37.803 38.000 -0.583 0.000 1.071 467 I HN 0.172 nan 8.210 nan 0.000 0.419 468 F N 1.273 121.295 119.950 0.119 0.000 2.805 468 F HA 0.239 4.757 4.527 -0.014 0.000 0.317 468 F C 1.413 177.309 175.800 0.160 0.000 1.146 468 F CA -0.814 57.343 58.000 0.262 0.000 1.265 468 F CB -0.370 38.825 39.000 0.327 0.000 0.992 468 F HN -0.039 nan 8.300 nan 0.000 0.511 469 K N -0.264 120.242 120.400 0.176 0.000 2.044 469 K HA -0.202 4.109 4.320 -0.014 0.000 0.210 469 K C 1.288 177.944 176.600 0.093 0.000 1.049 469 K CA 1.987 58.330 56.287 0.093 0.000 0.927 469 K CB -0.962 31.557 32.500 0.032 0.000 0.713 469 K HN 0.084 nan 8.250 nan 0.000 0.443 470 D N 0.108 120.533 120.400 0.042 0.000 2.149 470 D HA -0.169 4.463 4.640 -0.014 0.000 0.194 470 D C 1.832 178.025 176.300 -0.179 0.000 1.001 470 D CA 1.318 55.216 54.000 -0.170 0.000 0.849 470 D CB -0.270 40.346 40.800 -0.306 0.000 0.939 470 D HN 0.228 nan 8.370 nan 0.000 0.449 471 F N -0.299 119.734 119.950 0.138 0.000 2.206 471 F HA -0.124 4.395 4.527 -0.014 0.000 0.298 471 F C 2.320 178.247 175.800 0.212 0.000 1.090 471 F CA 0.394 58.547 58.000 0.254 0.000 1.323 471 F CB -0.616 38.622 39.000 0.397 0.000 1.028 471 F HN -0.047 nan 8.300 nan 0.000 0.492 472 Y N 1.407 121.638 120.300 -0.114 0.000 2.224 472 Y HA -0.198 4.344 4.550 -0.014 0.000 0.289 472 Y C 2.099 177.968 175.900 -0.051 0.000 1.146 472 Y CA 1.662 59.540 58.100 -0.369 0.000 1.182 472 Y CB -0.574 37.513 38.460 -0.621 0.000 0.983 472 Y HN 0.146 nan 8.280 nan 0.000 0.524 473 E N -0.117 120.021 120.200 -0.104 0.000 2.072 473 E HA -0.186 4.155 4.350 -0.014 0.000 0.191 473 E C 2.315 178.988 176.600 0.120 0.000 0.985 473 E CA 1.059 57.434 56.400 -0.042 0.000 0.801 473 E CB -0.284 29.471 29.700 0.090 0.000 0.750 473 E HN 0.440 nan 8.360 nan 0.000 0.452 474 L N 0.840 122.187 121.223 0.207 0.000 2.005 474 L HA -0.128 4.204 4.340 -0.014 0.000 0.207 474 L C 0.339 177.271 176.870 0.105 0.000 1.072 474 L CA 1.514 56.485 54.840 0.218 0.000 0.744 474 L CB 0.117 42.309 42.059 0.222 0.000 0.895 474 L HN 0.084 nan 8.230 nan 0.000 0.433 475 E N -0.934 119.316 120.200 0.083 0.000 3.108 475 E HA 0.159 4.501 4.350 -0.014 0.000 0.228 475 E C -2.006 174.452 176.600 -0.237 0.000 1.176 475 E CA -1.426 54.892 56.400 -0.137 0.000 0.881 475 E CB 1.136 30.783 29.700 -0.088 0.000 1.354 475 E HN 0.219 nan 8.360 nan 0.000 0.400 476 P HA -0.233 nan 4.420 nan 0.000 0.218 476 P C 1.187 178.572 177.300 0.141 0.000 1.149 476 P CA 1.142 64.102 63.100 -0.232 0.000 0.817 476 P CB -0.094 31.347 31.700 -0.432 0.000 0.785 477 H N -0.168 119.004 119.070 0.170 0.000 2.518 477 H HA 0.014 4.562 4.556 -0.014 0.000 0.292 477 H C 1.258 176.690 175.328 0.174 0.000 1.068 477 H CA 0.930 57.072 56.048 0.158 0.000 1.275 477 H CB -0.528 29.297 29.762 0.104 0.000 1.375 477 H HN 0.184 nan 8.280 nan 0.000 0.563 478 K N 0.147 120.577 120.400 0.050 0.000 2.186 478 K HA 0.078 4.390 4.320 -0.014 0.000 0.202 478 K C -0.107 176.438 176.600 -0.092 0.000 1.052 478 K CA 0.065 56.339 56.287 -0.022 0.000 0.965 478 K CB 0.220 32.582 32.500 -0.230 0.000 0.746 478 K HN 0.047 nan 8.250 nan 0.000 0.457 479 F N 1.954 121.943 119.950 0.065 0.000 2.412 479 F HA 0.172 4.691 4.527 -0.014 0.000 0.348 479 F C 0.604 176.403 175.800 -0.000 0.000 1.102 479 F CA 0.038 58.062 58.000 0.040 0.000 1.196 479 F CB 0.801 39.863 39.000 0.103 0.000 1.144 479 F HN -0.090 nan 8.300 nan 0.000 0.541 480 Q N 1.677 121.501 119.800 0.040 0.000 2.615 480 Q HA 0.352 4.684 4.340 -0.014 0.000 0.298 480 Q C -1.300 174.654 176.000 -0.077 0.000 1.023 480 Q CA -1.211 54.566 55.803 -0.043 0.000 0.768 480 Q CB 3.412 32.065 28.738 -0.141 0.000 1.500 480 Q HN 0.679 nan 8.270 nan 0.000 0.441 481 N N 0.539 119.174 118.700 -0.109 0.000 2.240 481 N HA 0.335 5.067 4.740 -0.014 0.000 0.302 481 N C -1.549 173.858 175.510 -0.173 0.000 1.106 481 N CA -0.429 52.556 53.050 -0.108 0.000 0.778 481 N CB 1.476 39.924 38.487 -0.064 0.000 1.431 481 N HN 0.287 nan 8.380 nan 0.000 0.479 482 K N 2.355 122.658 120.400 -0.161 0.000 2.687 482 K HA 0.204 4.516 4.320 -0.014 0.000 0.249 482 K C -1.125 175.467 176.600 -0.013 0.000 0.994 482 K CA -0.494 55.678 56.287 -0.192 0.000 0.913 482 K CB 1.534 33.719 32.500 -0.525 0.000 1.202 482 K HN 0.581 nan 8.250 nan 0.000 0.460 483 T N 1.841 116.414 114.554 0.033 0.000 2.901 483 T HA 0.148 4.490 4.350 -0.014 0.000 0.301 483 T C 0.779 175.591 174.700 0.186 0.000 1.012 483 T CA -0.133 62.036 62.100 0.114 0.000 1.135 483 T CB 0.550 69.506 68.868 0.147 0.000 0.936 483 T HN 0.351 nan 8.240 nan 0.000 0.539 484 N N 0.481 119.313 118.700 0.221 0.000 2.307 484 N HA 0.362 5.093 4.740 -0.014 0.000 0.230 484 N C 0.428 176.113 175.510 0.292 0.000 1.297 484 N CA -0.093 53.122 53.050 0.275 0.000 0.884 484 N CB 0.354 38.951 38.487 0.184 0.000 1.115 484 N HN 0.780 nan 8.380 nan 0.000 0.436 485 G N -0.357 108.625 108.800 0.303 0.000 2.645 485 G HA2 0.639 4.591 3.960 -0.014 0.000 0.292 485 G HA3 0.639 4.591 3.960 -0.014 0.000 0.292 485 G C -1.718 173.317 174.900 0.224 0.000 1.415 485 G CA -0.346 44.919 45.100 0.275 0.000 0.785 485 G HN 0.385 nan 8.290 nan 0.000 0.483 486 I N -0.736 119.954 120.570 0.200 0.000 2.969 486 I HA 0.644 4.806 4.170 -0.014 0.000 0.307 486 I C 0.004 176.273 176.117 0.254 0.000 1.149 486 I CA -0.596 60.812 61.300 0.181 0.000 1.008 486 I CB 2.684 40.706 38.000 0.037 0.000 1.232 486 I HN 0.486 nan 8.210 nan 0.000 0.435 487 T N 5.990 120.759 114.554 0.358 0.000 2.744 487 T HA 0.405 4.747 4.350 -0.014 0.000 0.291 487 T C -1.782 173.033 174.700 0.193 0.000 0.957 487 T CA -1.888 60.342 62.100 0.217 0.000 1.002 487 T CB 1.109 70.065 68.868 0.147 0.000 0.919 487 T HN 0.417 nan 8.240 nan 0.000 0.468 488 P HA -0.076 nan 4.420 nan 0.000 0.221 488 P C 1.070 178.346 177.300 -0.040 0.000 1.145 488 P CA 0.733 63.865 63.100 0.053 0.000 0.795 488 P CB 0.432 32.140 31.700 0.013 0.000 0.775 489 R N 0.409 120.840 120.500 -0.114 0.000 2.060 489 R HA 0.058 4.390 4.340 -0.014 0.000 0.225 489 R C 2.825 179.022 176.300 -0.173 0.000 1.155 489 R CA 1.546 57.544 56.100 -0.169 0.000 0.930 489 R CB -0.879 29.327 30.300 -0.156 0.000 0.829 489 R HN 0.110 nan 8.270 nan 0.000 0.433 490 R N -1.019 119.315 120.500 -0.277 0.000 2.073 490 R HA -0.108 4.224 4.340 -0.014 0.000 0.234 490 R C 1.842 177.846 176.300 -0.493 0.000 1.134 490 R CA 1.610 57.403 56.100 -0.512 0.000 0.952 490 R CB -0.333 29.368 30.300 -0.998 0.000 0.850 490 R HN 0.331 nan 8.270 nan 0.000 0.433 491 W N 0.315 121.576 121.300 -0.064 0.000 3.377 491 W HA 0.108 4.760 4.660 -0.015 0.000 0.277 491 W C 1.233 177.728 176.519 -0.040 0.000 1.311 491 W CA -0.396 56.911 57.345 -0.063 0.000 1.703 491 W CB 0.289 29.719 29.460 -0.051 0.000 1.095 491 W HN 0.167 nan 8.180 nan 0.000 0.715 492 L N -2.743 118.544 121.223 0.107 0.000 2.376 492 L HA 0.142 4.474 4.340 -0.014 0.000 0.153 492 L C 1.708 178.600 176.870 0.037 0.000 1.272 492 L CA 0.637 55.532 54.840 0.091 0.000 1.005 492 L CB -0.818 41.320 42.059 0.131 0.000 2.027 492 L HN -0.279 nan 8.230 nan 0.000 0.495 493 V N 1.511 121.425 119.914 -0.000 0.000 2.392 493 V HA -0.213 3.899 4.120 -0.014 0.000 0.249 493 V C 2.390 178.464 176.094 -0.034 0.000 1.059 493 V CA 2.328 64.618 62.300 -0.016 0.000 1.051 493 V CB -0.722 31.064 31.823 -0.062 0.000 0.658 493 V HN 0.584 nan 8.190 nan 0.000 0.455 494 L N 0.233 121.408 121.223 -0.080 0.000 2.357 494 L HA 0.043 4.375 4.340 -0.014 0.000 0.211 494 L C 2.285 179.095 176.870 -0.100 0.000 1.075 494 L CA 1.851 56.631 54.840 -0.100 0.000 0.830 494 L CB -0.727 41.241 42.059 -0.153 0.000 0.996 494 L HN 0.435 nan 8.230 nan 0.000 0.467 495 C N -1.036 118.202 119.300 -0.103 0.000 2.594 495 C HA 0.336 4.788 4.460 -0.014 0.000 0.265 495 C C 1.063 176.040 174.990 -0.022 0.000 1.351 495 C CA -0.299 58.677 59.018 -0.070 0.000 1.744 495 C CB -1.559 26.146 27.740 -0.059 0.000 1.890 495 C HN 0.643 nan 8.230 nan 0.000 0.551 496 N N 1.043 119.741 118.700 -0.003 0.000 2.726 496 N HA 0.294 5.026 4.740 -0.014 0.000 0.253 496 N C -2.367 173.156 175.510 0.023 0.000 1.530 496 N CA -1.160 51.898 53.050 0.014 0.000 0.772 496 N CB 1.096 39.600 38.487 0.029 0.000 1.220 496 N HN 0.104 nan 8.380 nan 0.000 0.508 497 P HA 0.039 nan 4.420 nan 0.000 0.219 497 P C 1.363 178.680 177.300 0.029 0.000 1.150 497 P CA 0.785 63.898 63.100 0.022 0.000 0.814 497 P CB 0.378 32.083 31.700 0.009 0.000 0.787 498 G N 0.453 109.265 108.800 0.020 0.000 2.421 498 G HA2 -0.237 3.715 3.960 -0.014 0.000 0.216 498 G HA3 -0.237 3.715 3.960 -0.014 0.000 0.216 498 G C 1.423 176.334 174.900 0.018 0.000 1.171 498 G CA 0.594 45.704 45.100 0.016 0.000 0.775 498 G HN 0.235 nan 8.290 nan 0.000 0.543 499 L N 1.306 122.539 121.223 0.016 0.000 2.141 499 L HA 0.239 4.571 4.340 -0.014 0.000 0.209 499 L C 2.889 179.788 176.870 0.048 0.000 1.094 499 L CA 1.978 56.826 54.840 0.012 0.000 0.763 499 L CB -0.559 41.506 42.059 0.011 0.000 0.908 499 L HN 0.221 nan 8.230 nan 0.000 0.437 500 A N -0.132 122.737 122.820 0.082 0.000 1.968 500 A HA -0.159 4.153 4.320 -0.014 0.000 0.217 500 A C 2.133 179.807 177.584 0.150 0.000 1.169 500 A CA 1.190 53.324 52.037 0.161 0.000 0.638 500 A CB -0.566 18.540 19.000 0.177 0.000 0.812 500 A HN 0.713 nan 8.150 nan 0.000 0.446 501 E N 0.891 121.147 120.200 0.093 0.000 2.047 501 E HA -0.192 4.149 4.350 -0.014 0.000 0.191 501 E C 1.968 178.614 176.600 0.076 0.000 0.987 501 E CA 1.489 57.937 56.400 0.080 0.000 0.799 501 E CB -0.827 28.903 29.700 0.050 0.000 0.752 501 E HN 0.751 nan 8.360 nan 0.000 0.449 502 I N -0.658 119.958 120.570 0.076 0.000 2.493 502 I HA -0.141 4.021 4.170 -0.014 0.000 0.254 502 I C 2.287 178.509 176.117 0.176 0.000 1.160 502 I CA 0.992 62.368 61.300 0.127 0.000 1.445 502 I CB -0.376 37.691 38.000 0.111 0.000 1.086 502 I HN 0.034 nan 8.210 nan 0.000 0.433 503 I N 2.142 122.770 120.570 0.097 0.000 2.193 503 I HA -0.165 3.997 4.170 -0.014 0.000 0.240 503 I C 3.019 179.076 176.117 -0.100 0.000 1.084 503 I CA 1.320 62.582 61.300 -0.062 0.000 1.365 503 I CB -0.529 37.294 38.000 -0.294 0.000 1.064 503 I HN 0.267 nan 8.210 nan 0.000 0.410 504 A N 0.465 123.320 122.820 0.059 0.000 2.019 504 A HA -0.210 4.102 4.320 -0.014 0.000 0.219 504 A C 2.139 179.747 177.584 0.041 0.000 1.164 504 A CA 1.532 53.654 52.037 0.141 0.000 0.644 504 A CB -0.575 18.551 19.000 0.210 0.000 0.805 504 A HN 0.469 nan 8.150 nan 0.000 0.449 505 E N -0.484 119.720 120.200 0.007 0.000 2.051 505 E HA -0.194 4.148 4.350 -0.014 0.000 0.192 505 E C 2.314 178.862 176.600 -0.087 0.000 0.991 505 E CA 1.197 57.584 56.400 -0.020 0.000 0.799 505 E CB -0.106 29.590 29.700 -0.006 0.000 0.748 505 E HN 0.469 nan 8.360 nan 0.000 0.449 506 R N 0.572 120.940 120.500 -0.219 0.000 2.048 506 R HA 0.005 4.336 4.340 -0.014 0.000 0.224 506 R C 2.517 178.691 176.300 -0.209 0.000 1.163 506 R CA 1.089 56.971 56.100 -0.363 0.000 0.956 506 R CB -0.863 28.831 30.300 -1.011 0.000 0.849 506 R HN 0.331 nan 8.270 nan 0.000 0.435 507 I N -1.859 118.585 120.570 -0.209 0.000 3.875 507 I HA 0.371 4.533 4.170 -0.014 0.000 0.329 507 I C 0.540 176.673 176.117 0.027 0.000 1.295 507 I CA 0.292 61.547 61.300 -0.076 0.000 1.129 507 I CB 0.214 38.155 38.000 -0.099 0.000 1.008 507 I HN 0.242 nan 8.210 nan 0.000 0.413 508 G N 2.076 110.907 108.800 0.051 0.000 2.760 508 G HA2 -0.232 3.720 3.960 -0.014 0.000 0.246 508 G HA3 -0.232 3.720 3.960 -0.014 0.000 0.246 508 G C -0.031 174.995 174.900 0.210 0.000 1.359 508 G CA 0.159 45.319 45.100 0.100 0.000 0.861 508 G HN 0.508 nan 8.290 nan 0.000 0.541 509 E N -0.308 119.968 120.200 0.126 0.000 2.472 509 E HA 0.113 4.455 4.350 -0.014 0.000 0.196 509 E C 1.813 178.355 176.600 -0.097 0.000 1.033 509 E CA 0.442 56.852 56.400 0.017 0.000 0.886 509 E CB 0.450 30.144 29.700 -0.009 0.000 0.944 509 E HN 0.620 nan 8.360 nan 0.000 0.492 510 E N 0.770 120.982 120.200 0.020 0.000 2.401 510 E HA -0.193 4.148 4.350 -0.014 0.000 0.199 510 E C 1.326 177.913 176.600 -0.022 0.000 1.023 510 E CA 0.695 57.096 56.400 0.001 0.000 0.859 510 E CB -0.039 29.686 29.700 0.042 0.000 0.780 510 E HN 0.495 nan 8.360 nan 0.000 0.523 511 Y N -1.656 118.642 120.300 -0.004 0.000 2.509 511 Y HA 0.015 4.557 4.550 -0.012 0.000 0.293 511 Y C 1.578 177.449 175.900 -0.048 0.000 1.133 511 Y CA 0.406 58.496 58.100 -0.017 0.000 1.283 511 Y CB -0.412 38.041 38.460 -0.011 0.000 1.001 511 Y HN -0.002 nan 8.280 nan 0.000 0.555 512 I N 0.765 120.890 120.570 -0.742 0.000 2.614 512 I HA -0.183 3.978 4.170 -0.014 0.000 0.258 512 I C 1.407 177.269 176.117 -0.424 0.000 1.189 512 I CA 1.534 62.434 61.300 -0.668 0.000 1.462 512 I CB -0.244 37.248 38.000 -0.848 0.000 1.092 512 I HN 0.390 nan 8.210 nan 0.000 0.442 513 S N -1.971 113.580 115.700 -0.249 0.000 2.650 513 S HA 0.176 4.638 4.470 -0.014 0.000 0.240 513 S C 0.175 174.755 174.600 -0.033 0.000 1.007 513 S CA -0.471 57.664 58.200 -0.109 0.000 0.984 513 S CB 0.249 63.445 63.200 -0.006 0.000 0.910 513 S HN 0.280 nan 8.310 nan 0.000 0.509 514 D N 0.968 121.358 120.400 -0.017 0.000 2.714 514 D HA 0.277 4.908 4.640 -0.014 0.000 0.264 514 D C 0.646 176.985 176.300 0.065 0.000 1.231 514 D CA -0.398 53.616 54.000 0.023 0.000 0.802 514 D CB -0.065 40.753 40.800 0.030 0.000 1.319 514 D HN 0.082 nan 8.370 nan 0.000 0.528 515 L N 0.602 121.865 121.223 0.065 0.000 2.349 515 L HA -0.103 4.228 4.340 -0.014 0.000 0.220 515 L C 1.005 177.922 176.870 0.078 0.000 1.130 515 L CA 1.017 55.925 54.840 0.114 0.000 0.791 515 L CB 0.059 42.177 42.059 0.098 0.000 0.918 515 L HN 0.338 nan 8.230 nan 0.000 0.444 516 D N -0.237 120.186 120.400 0.038 0.000 2.218 516 D HA -0.201 4.431 4.640 -0.014 0.000 0.204 516 D C 2.095 178.413 176.300 0.029 0.000 0.976 516 D CA 0.804 54.813 54.000 0.015 0.000 0.853 516 D CB 0.028 40.826 40.800 -0.003 0.000 0.939 516 D HN 0.443 nan 8.370 nan 0.000 0.481 517 Q N -0.289 119.544 119.800 0.055 0.000 2.368 517 Q HA -0.152 4.180 4.340 -0.014 0.000 0.210 517 Q C 1.838 177.855 176.000 0.028 0.000 0.982 517 Q CA 0.296 56.133 55.803 0.058 0.000 0.884 517 Q CB -0.009 28.792 28.738 0.106 0.000 0.933 517 Q HN 0.223 nan 8.270 nan 0.000 0.460 518 L N 0.611 121.845 121.223 0.019 0.000 2.187 518 L HA -0.178 4.154 4.340 -0.014 0.000 0.213 518 L C 2.106 178.972 176.870 -0.006 0.000 1.100 518 L CA 1.561 56.380 54.840 -0.035 0.000 0.765 518 L CB -0.421 41.631 42.059 -0.011 0.000 0.904 518 L HN 0.102 nan 8.230 nan 0.000 0.437 519 R N -0.484 120.023 120.500 0.011 0.000 2.200 519 R HA -0.165 4.166 4.340 -0.014 0.000 0.234 519 R C 1.760 178.074 176.300 0.024 0.000 1.127 519 R CA 0.954 57.065 56.100 0.017 0.000 0.989 519 R CB -0.067 30.239 30.300 0.009 0.000 0.869 519 R HN 0.409 nan 8.270 nan 0.000 0.459 520 K N 0.290 120.705 120.400 0.024 0.000 2.555 520 K HA -0.053 4.259 4.320 -0.014 0.000 0.193 520 K C 1.546 178.208 176.600 0.104 0.000 1.032 520 K CA 0.513 56.828 56.287 0.046 0.000 1.004 520 K CB 0.131 32.657 32.500 0.044 0.000 0.804 520 K HN 0.240 nan 8.250 nan 0.000 0.496 521 L N 0.336 121.605 121.223 0.076 0.000 2.418 521 L HA -0.073 4.258 4.340 -0.014 0.000 0.218 521 L C 1.758 178.740 176.870 0.187 0.000 1.125 521 L CA 0.008 54.924 54.840 0.127 0.000 0.835 521 L CB -0.166 41.922 42.059 0.049 0.000 0.953 521 L HN 0.132 nan 8.230 nan 0.000 0.454 522 L N -0.065 121.218 121.223 0.100 0.000 2.079 522 L HA -0.211 4.121 4.340 -0.014 0.000 0.210 522 L C 2.637 179.522 176.870 0.025 0.000 1.081 522 L CA 1.585 56.463 54.840 0.065 0.000 0.752 522 L CB -1.041 41.035 42.059 0.028 0.000 0.896 522 L HN 0.170 nan 8.230 nan 0.000 0.433 523 S N -1.469 114.204 115.700 -0.046 0.000 2.440 523 S HA -0.197 4.264 4.470 -0.014 0.000 0.240 523 S C 1.343 175.709 174.600 -0.390 0.000 1.014 523 S CA 1.104 59.149 58.200 -0.258 0.000 0.980 523 S CB -0.420 62.518 63.200 -0.436 0.000 0.775 523 S HN 0.493 nan 8.310 nan 0.000 0.499 524 Y N -0.450 119.811 120.300 -0.065 0.000 2.485 524 Y HA 0.346 4.894 4.550 -0.003 0.000 0.260 524 Y C 1.800 177.758 175.900 0.097 0.000 1.173 524 Y CA -0.563 57.513 58.100 -0.041 0.000 1.252 524 Y CB -0.219 38.073 38.460 -0.280 0.000 1.123 524 Y HN 0.102 nan 8.280 nan 0.000 0.524 525 V N 0.342 120.353 119.914 0.162 0.000 2.720 525 V HA -0.209 3.903 4.120 -0.014 0.000 0.256 525 V C 0.926 177.083 176.094 0.105 0.000 1.082 525 V CA 2.176 64.562 62.300 0.144 0.000 1.101 525 V CB -0.033 31.841 31.823 0.084 0.000 0.693 525 V HN 0.343 nan 8.190 nan 0.000 0.479 526 D N -0.439 120.005 120.400 0.072 0.000 2.431 526 D HA 0.132 4.764 4.640 -0.014 0.000 0.213 526 D C 0.124 176.463 176.300 0.065 0.000 1.130 526 D CA 0.025 54.055 54.000 0.051 0.000 0.834 526 D CB 0.260 41.068 40.800 0.013 0.000 0.985 526 D HN 0.535 nan 8.370 nan 0.000 0.504 527 D N 1.415 121.886 120.400 0.117 0.000 2.365 527 D HA -0.001 4.631 4.640 -0.014 0.000 0.237 527 D C 1.202 177.607 176.300 0.175 0.000 1.190 527 D CA -0.029 54.060 54.000 0.149 0.000 0.867 527 D CB 0.946 41.888 40.800 0.236 0.000 1.050 527 D HN -0.249 nan 8.370 nan 0.000 0.491 528 E N 2.732 122.999 120.200 0.111 0.000 2.333 528 E HA -0.144 4.198 4.350 -0.014 0.000 0.198 528 E C 1.407 178.066 176.600 0.099 0.000 1.007 528 E CA 0.607 57.059 56.400 0.088 0.000 0.845 528 E CB 0.188 29.921 29.700 0.055 0.000 0.766 528 E HN 0.669 nan 8.360 nan 0.000 0.507 529 A N 0.370 123.271 122.820 0.134 0.000 1.874 529 A HA -0.112 4.200 4.320 -0.014 0.000 0.214 529 A C 1.947 179.651 177.584 0.199 0.000 1.189 529 A CA 0.587 52.706 52.037 0.136 0.000 0.615 529 A CB -0.634 18.449 19.000 0.139 0.000 0.830 529 A HN 0.209 nan 8.150 nan 0.000 0.443 530 F N 0.753 120.737 119.950 0.056 0.000 2.134 530 F HA -0.126 4.394 4.527 -0.012 0.000 0.299 530 F C 2.046 177.864 175.800 0.030 0.000 1.097 530 F CA 1.087 59.108 58.000 0.035 0.000 1.264 530 F CB -0.404 38.641 39.000 0.075 0.000 1.001 530 F HN 0.154 nan 8.300 nan 0.000 0.479 531 I N -0.253 120.367 120.570 0.084 0.000 2.194 531 I HA -0.363 3.799 4.170 -0.014 0.000 0.246 531 I C 2.632 178.710 176.117 -0.065 0.000 1.093 531 I CA 1.799 63.090 61.300 -0.016 0.000 1.355 531 I CB -0.444 37.585 38.000 0.048 0.000 1.046 531 I HN 0.060 nan 8.210 nan 0.000 0.413 532 R N 0.634 121.115 120.500 -0.030 0.000 2.115 532 R HA -0.147 4.185 4.340 -0.014 0.000 0.226 532 R C 1.812 178.070 176.300 -0.071 0.000 1.100 532 R CA 1.459 57.536 56.100 -0.037 0.000 0.980 532 R CB -0.047 30.250 30.300 -0.005 0.000 0.875 532 R HN 0.286 nan 8.270 nan 0.000 0.445 533 D N -0.191 120.148 120.400 -0.102 0.000 2.110 533 D HA -0.101 4.531 4.640 -0.014 0.000 0.202 533 D C 1.964 178.134 176.300 -0.217 0.000 0.975 533 D CA 1.280 55.204 54.000 -0.127 0.000 0.839 533 D CB -0.197 40.547 40.800 -0.093 0.000 0.996 533 D HN 0.048 nan 8.370 nan 0.000 0.464 534 V N 1.774 121.446 119.914 -0.403 0.000 2.317 534 V HA -0.291 3.821 4.120 -0.014 0.000 0.251 534 V C 2.505 178.502 176.094 -0.163 0.000 1.065 534 V CA 2.068 64.156 62.300 -0.354 0.000 1.049 534 V CB -0.775 30.767 31.823 -0.467 0.000 0.651 534 V HN 0.194 nan 8.190 nan 0.000 0.450 535 A N -0.790 121.956 122.820 -0.124 0.000 1.968 535 A HA -0.176 4.136 4.320 -0.014 0.000 0.217 535 A C 2.361 179.909 177.584 -0.060 0.000 1.169 535 A CA 1.733 53.731 52.037 -0.066 0.000 0.638 535 A CB -0.384 18.583 19.000 -0.056 0.000 0.812 535 A HN 0.521 nan 8.150 nan 0.000 0.446 536 K N -0.000 120.360 120.400 -0.066 0.000 2.062 536 K HA -0.058 4.254 4.320 -0.014 0.000 0.205 536 K C 1.793 178.368 176.600 -0.040 0.000 1.051 536 K CA 1.440 57.699 56.287 -0.047 0.000 0.941 536 K CB -0.252 32.224 32.500 -0.040 0.000 0.719 536 K HN 0.203 nan 8.250 nan 0.000 0.440 537 V N 2.012 121.896 119.914 -0.050 0.000 2.324 537 V HA -0.267 3.845 4.120 -0.014 0.000 0.250 537 V C 2.442 178.523 176.094 -0.022 0.000 1.060 537 V CA 2.130 64.409 62.300 -0.034 0.000 1.042 537 V CB -0.480 31.313 31.823 -0.049 0.000 0.650 537 V HN 0.363 nan 8.190 nan 0.000 0.450 538 K N 0.318 120.703 120.400 -0.025 0.000 2.057 538 K HA -0.194 4.118 4.320 -0.014 0.000 0.206 538 K C 2.134 178.713 176.600 -0.034 0.000 1.050 538 K CA 1.606 57.887 56.287 -0.011 0.000 0.935 538 K CB -0.440 32.069 32.500 0.016 0.000 0.715 538 K HN 0.392 nan 8.250 nan 0.000 0.439 539 Q N 0.763 120.537 119.800 -0.044 0.000 2.167 539 Q HA -0.082 4.250 4.340 -0.014 0.000 0.202 539 Q C 1.605 177.587 176.000 -0.030 0.000 0.970 539 Q CA 1.570 57.338 55.803 -0.059 0.000 0.855 539 Q CB 0.023 28.730 28.738 -0.052 0.000 0.911 539 Q HN 0.375 nan 8.270 nan 0.000 0.438 540 E N -0.120 120.073 120.200 -0.011 0.000 2.047 540 E HA -0.148 4.194 4.350 -0.014 0.000 0.191 540 E C 1.671 178.294 176.600 0.038 0.000 0.987 540 E CA 1.072 57.479 56.400 0.012 0.000 0.799 540 E CB -0.175 29.531 29.700 0.010 0.000 0.752 540 E HN 0.457 nan 8.360 nan 0.000 0.449 541 N N 1.197 119.918 118.700 0.036 0.000 2.166 541 N HA -0.130 4.602 4.740 -0.014 0.000 0.186 541 N C 1.678 177.263 175.510 0.126 0.000 1.019 541 N CA 0.966 54.059 53.050 0.071 0.000 0.856 541 N CB -0.167 38.346 38.487 0.044 0.000 0.993 541 N HN 0.178 nan 8.380 nan 0.000 0.426 542 K N 0.538 120.969 120.400 0.051 0.000 2.057 542 K HA 0.021 4.333 4.320 -0.014 0.000 0.206 542 K C 2.111 178.819 176.600 0.181 0.000 1.050 542 K CA 0.656 56.967 56.287 0.040 0.000 0.935 542 K CB -0.156 32.113 32.500 -0.384 0.000 0.715 542 K HN 0.103 nan 8.250 nan 0.000 0.439 543 L N 1.064 122.348 121.223 0.101 0.000 2.046 543 L HA -0.181 4.151 4.340 -0.014 0.000 0.208 543 L C 2.538 179.500 176.870 0.153 0.000 1.077 543 L CA 1.262 56.173 54.840 0.119 0.000 0.747 543 L CB -0.243 41.856 42.059 0.066 0.000 0.896 543 L HN 0.134 nan 8.230 nan 0.000 0.432 544 K N -0.607 119.887 120.400 0.157 0.000 2.148 544 K HA -0.199 4.113 4.320 -0.014 0.000 0.204 544 K C 2.089 178.832 176.600 0.239 0.000 1.050 544 K CA 1.311 57.697 56.287 0.165 0.000 0.942 544 K CB -0.025 32.557 32.500 0.136 0.000 0.724 544 K HN 0.095 nan 8.250 nan 0.000 0.446 545 F N 0.799 120.848 119.950 0.166 0.000 2.234 545 F HA 0.051 4.569 4.527 -0.014 0.000 0.296 545 F C 1.932 177.883 175.800 0.251 0.000 1.089 545 F CA 0.957 59.076 58.000 0.199 0.000 1.343 545 F CB -0.313 38.806 39.000 0.199 0.000 1.040 545 F HN -0.004 nan 8.300 nan 0.000 0.498 546 A N 0.325 123.308 122.820 0.271 0.000 1.933 546 A HA -0.067 4.245 4.320 -0.014 0.000 0.218 546 A C 2.389 180.009 177.584 0.060 0.000 1.175 546 A CA 1.750 53.886 52.037 0.165 0.000 0.628 546 A CB -1.446 17.718 19.000 0.275 0.000 0.814 546 A HN 0.453 nan 8.150 nan 0.000 0.444 547 A N -1.328 121.541 122.820 0.083 0.000 1.873 547 A HA -0.080 4.232 4.320 -0.014 0.000 0.215 547 A C 2.127 179.716 177.584 0.009 0.000 1.186 547 A CA 1.557 53.624 52.037 0.049 0.000 0.616 547 A CB -0.939 18.102 19.000 0.068 0.000 0.823 547 A HN 0.748 nan 8.150 nan 0.000 0.442 548 Y N 0.053 120.285 120.300 -0.112 0.000 2.151 548 Y HA -0.249 4.293 4.550 -0.013 0.000 0.284 548 Y C 1.964 177.741 175.900 -0.205 0.000 1.166 548 Y CA 1.974 59.980 58.100 -0.157 0.000 1.163 548 Y CB -0.341 38.006 38.460 -0.190 0.000 0.974 548 Y HN 0.214 nan 8.280 nan 0.000 0.511 549 L N 0.817 121.940 121.223 -0.167 0.000 1.970 549 L HA -0.223 4.109 4.340 -0.014 0.000 0.212 549 L C 2.485 179.266 176.870 -0.148 0.000 1.071 549 L CA 2.005 56.736 54.840 -0.182 0.000 0.751 549 L CB -1.142 40.766 42.059 -0.251 0.000 0.889 549 L HN 0.273 nan 8.230 nan 0.000 0.432 550 E N -0.785 119.350 120.200 -0.108 0.000 2.171 550 E HA -0.257 4.085 4.350 -0.014 0.000 0.197 550 E C 2.211 178.738 176.600 -0.121 0.000 0.997 550 E CA 1.094 57.441 56.400 -0.088 0.000 0.810 550 E CB -0.009 29.681 29.700 -0.017 0.000 0.738 550 E HN 0.421 nan 8.360 nan 0.000 0.467 551 R N 0.929 121.327 120.500 -0.171 0.000 2.062 551 R HA -0.093 4.239 4.340 -0.014 0.000 0.213 551 R C 2.089 178.212 176.300 -0.296 0.000 1.214 551 R CA 1.163 57.144 56.100 -0.198 0.000 0.951 551 R CB -0.332 29.853 30.300 -0.192 0.000 0.804 551 R HN -0.113 nan 8.270 nan 0.000 0.473 552 E N -1.002 118.885 120.200 -0.521 0.000 2.219 552 E HA -0.188 4.154 4.350 -0.014 0.000 0.198 552 E C 0.353 176.513 176.600 -0.733 0.000 0.998 552 E CA 1.564 57.526 56.400 -0.729 0.000 0.818 552 E CB 0.125 29.089 29.700 -1.228 0.000 0.741 552 E HN 0.448 nan 8.360 nan 0.000 0.477 553 Y N -1.877 118.249 120.300 -0.290 0.000 2.779 553 Y HA 0.237 4.778 4.550 -0.014 0.000 0.251 553 Y C 0.974 176.778 175.900 -0.160 0.000 1.145 553 Y CA -0.245 57.750 58.100 -0.175 0.000 1.201 553 Y CB 0.605 38.982 38.460 -0.137 0.000 1.281 553 Y HN -0.176 nan 8.280 nan 0.000 0.563 554 K N 0.097 120.451 120.400 -0.076 0.000 8.476 554 K HA -0.399 3.913 4.320 -0.014 0.000 0.488 554 K C 1.535 177.989 176.600 -0.244 0.000 0.381 554 K CA 2.754 58.963 56.287 -0.130 0.000 1.931 554 K CB -1.714 30.724 32.500 -0.104 0.000 0.770 554 K HN 0.321 nan 8.250 nan 0.000 0.953 555 V N -1.061 118.724 119.914 -0.216 0.000 2.404 555 V HA -0.403 3.709 4.120 -0.014 0.000 0.264 555 V C 0.642 176.547 176.094 -0.314 0.000 1.214 555 V CA 2.660 64.807 62.300 -0.254 0.000 1.106 555 V CB -2.428 29.335 31.823 -0.099 0.000 0.891 555 V HN 1.236 nan 8.190 nan 0.000 0.455 556 H N 0.095 119.161 119.070 -0.006 0.000 2.204 556 H HA -0.109 4.439 4.556 -0.014 0.000 0.277 556 H C -0.315 175.016 175.328 0.006 0.000 0.735 556 H CA 0.505 56.555 56.048 0.004 0.000 0.917 556 H CB -2.173 27.596 29.762 0.013 0.000 1.452 556 H HN 1.103 nan 8.280 nan 0.000 0.251 557 I N -0.789 119.880 120.570 0.164 0.000 2.707 557 I HA 0.483 4.645 4.170 -0.014 0.000 0.309 557 I C 0.382 176.589 176.117 0.151 0.000 1.001 557 I CA -1.271 60.096 61.300 0.113 0.000 1.129 557 I CB 1.881 39.901 38.000 0.032 0.000 1.308 557 I HN 0.554 nan 8.210 nan 0.000 0.466 558 N N 4.403 123.195 118.700 0.153 0.000 2.415 558 N HA 0.345 5.077 4.740 -0.014 0.000 0.246 558 N C -2.022 173.623 175.510 0.225 0.000 1.078 558 N CA -2.467 50.671 53.050 0.148 0.000 0.942 558 N CB 0.901 39.444 38.487 0.094 0.000 1.140 558 N HN 0.374 nan 8.380 nan 0.000 0.501 559 P HA -0.036 nan 4.420 nan 0.000 0.229 559 P C -0.317 176.963 177.300 -0.034 0.000 1.150 559 P CA 1.076 64.236 63.100 0.101 0.000 0.765 559 P CB 0.074 31.817 31.700 0.070 0.000 0.783 560 N N -1.241 117.479 118.700 0.033 0.000 2.295 560 N HA 0.056 4.788 4.740 -0.014 0.000 0.221 560 N C -0.207 175.338 175.510 0.059 0.000 1.129 560 N CA -0.202 52.861 53.050 0.022 0.000 0.836 560 N CB 0.151 38.659 38.487 0.035 0.000 1.040 560 N HN 0.151 nan 8.380 nan 0.000 0.494 561 S N -0.416 115.317 115.700 0.055 0.000 2.718 561 S HA 0.358 4.820 4.470 -0.014 0.000 0.300 561 S C -0.324 174.197 174.600 -0.131 0.000 1.117 561 S CA -0.986 57.228 58.200 0.025 0.000 1.002 561 S CB 1.448 64.692 63.200 0.074 0.000 1.092 561 S HN -0.038 nan 8.310 nan 0.000 0.542 562 L N 1.887 122.837 121.223 -0.455 0.000 2.462 562 L HA 0.358 4.690 4.340 -0.014 0.000 0.272 562 L C -1.402 175.379 176.870 -0.149 0.000 1.166 562 L CA -0.031 54.306 54.840 -0.838 0.000 0.880 562 L CB -0.649 40.809 42.059 -1.002 0.000 1.142 562 L HN 0.677 nan 8.230 nan 0.000 0.473 563 F N 4.221 124.020 119.950 -0.251 0.000 2.313 563 F HA 0.237 4.756 4.527 -0.012 0.000 0.369 563 F C 0.453 176.190 175.800 -0.105 0.000 1.109 563 F CA -1.371 56.563 58.000 -0.111 0.000 1.132 563 F CB 0.538 39.521 39.000 -0.028 0.000 1.291 563 F HN 0.450 nan 8.300 nan 0.000 0.496 564 D N 3.778 124.190 120.400 0.020 0.000 2.380 564 D HA 0.284 4.916 4.640 -0.014 0.000 0.230 564 D C -1.029 175.234 176.300 -0.062 0.000 1.154 564 D CA 0.195 54.167 54.000 -0.047 0.000 0.859 564 D CB 1.139 41.892 40.800 -0.077 0.000 1.045 564 D HN 0.304 nan 8.370 nan 0.000 0.495 565 V N 3.874 123.750 119.914 -0.063 0.000 2.638 565 V HA 0.435 4.547 4.120 -0.014 0.000 0.306 565 V C -1.369 174.649 176.094 -0.126 0.000 1.052 565 V CA -0.692 61.564 62.300 -0.075 0.000 0.885 565 V CB 1.954 33.774 31.823 -0.004 0.000 0.999 565 V HN 0.495 nan 8.190 nan 0.000 0.424 566 Q N 4.521 124.231 119.800 -0.151 0.000 2.368 566 Q HA 0.676 5.008 4.340 -0.014 0.000 0.263 566 Q C -1.216 174.639 176.000 -0.241 0.000 1.009 566 Q CA -0.634 55.059 55.803 -0.182 0.000 0.818 566 Q CB 1.764 30.399 28.738 -0.172 0.000 1.239 566 Q HN 0.963 nan 8.270 nan 0.000 0.464 567 V N 2.302 122.069 119.914 -0.246 0.000 2.407 567 V HA 0.809 4.920 4.120 -0.014 0.000 0.291 567 V C -0.822 174.959 176.094 -0.521 0.000 1.018 567 V CA -0.667 61.264 62.300 -0.614 0.000 0.842 567 V CB 1.125 32.407 31.823 -0.901 0.000 0.996 567 V HN 0.797 nan 8.190 nan 0.000 0.426 568 K N 2.640 122.790 120.400 -0.416 0.000 2.772 568 K HA 0.461 4.773 4.320 -0.014 0.000 0.292 568 K C -1.301 175.295 176.600 -0.007 0.000 1.049 568 K CA -1.111 55.129 56.287 -0.080 0.000 0.846 568 K CB 1.077 33.521 32.500 -0.093 0.000 1.514 568 K HN 0.428 nan 8.250 nan 0.000 0.373 569 R N 0.838 121.384 120.500 0.076 0.000 2.679 569 R HA 0.188 4.520 4.340 -0.014 0.000 0.268 569 R C 0.363 176.693 176.300 0.050 0.000 1.044 569 R CA -0.430 55.734 56.100 0.107 0.000 1.105 569 R CB -0.082 30.305 30.300 0.145 0.000 0.989 569 R HN 0.485 nan 8.270 nan 0.000 0.447 570 I N 4.164 124.781 120.570 0.078 0.000 2.357 570 I HA 0.045 4.207 4.170 -0.014 0.000 0.300 570 I C 0.633 176.749 176.117 -0.002 0.000 1.159 570 I CA 0.359 61.666 61.300 0.011 0.000 1.339 570 I CB -1.252 36.755 38.000 0.013 0.000 1.458 570 I HN 0.399 nan 8.210 nan 0.000 0.577 571 H N 3.358 122.356 119.070 -0.119 0.000 2.679 571 H HA 0.258 4.806 4.556 -0.014 0.000 0.367 571 H C 0.983 176.218 175.328 -0.156 0.000 1.162 571 H CA -0.533 55.486 56.048 -0.048 0.000 1.181 571 H CB 2.021 31.725 29.762 -0.097 0.000 1.693 571 H HN 0.493 nan 8.280 nan 0.000 0.538 572 E N 1.769 122.081 120.200 0.186 0.000 2.070 572 E HA -0.316 4.026 4.350 -0.014 0.000 0.197 572 E C 1.325 177.783 176.600 -0.237 0.000 1.004 572 E CA 1.867 58.321 56.400 0.091 0.000 0.805 572 E CB -0.147 29.774 29.700 0.369 0.000 0.744 572 E HN 0.694 nan 8.360 nan 0.000 0.451 573 Y N 0.723 120.515 120.300 -0.847 0.000 2.483 573 Y HA -0.069 4.473 4.550 -0.014 0.000 0.291 573 Y C 1.498 177.135 175.900 -0.437 0.000 1.143 573 Y CA 0.791 58.241 58.100 -1.082 0.000 1.289 573 Y CB 0.025 37.738 38.460 -1.245 0.000 0.983 573 Y HN -0.183 nan 8.280 nan 0.000 0.556 574 K N 0.819 120.763 120.400 -0.760 0.000 2.365 574 K HA 0.047 4.359 4.320 -0.014 0.000 0.197 574 K C 0.209 176.617 176.600 -0.319 0.000 1.042 574 K CA 0.575 56.482 56.287 -0.634 0.000 0.987 574 K CB -0.016 32.136 32.500 -0.580 0.000 0.779 574 K HN 0.341 nan 8.250 nan 0.000 0.484 575 R N 0.925 121.282 120.500 -0.238 0.000 3.201 575 R HA -0.171 4.161 4.340 -0.014 0.000 0.254 575 R C 0.448 176.667 176.300 -0.136 0.000 0.978 575 R CA 0.067 56.078 56.100 -0.149 0.000 0.661 575 R CB -1.679 28.542 30.300 -0.131 0.000 1.170 575 R HN 0.223 nan 8.270 nan 0.000 0.430 576 Q N 0.095 119.821 119.800 -0.123 0.000 2.224 576 Q HA -0.018 4.313 4.340 -0.014 0.000 0.203 576 Q C 1.818 177.771 176.000 -0.079 0.000 0.970 576 Q CA 1.284 57.027 55.803 -0.099 0.000 0.865 576 Q CB 0.108 28.795 28.738 -0.084 0.000 0.922 576 Q HN 0.596 nan 8.270 nan 0.000 0.445 577 L N -0.589 120.591 121.223 -0.072 0.000 2.093 577 L HA -0.165 4.166 4.340 -0.014 0.000 0.208 577 L C 1.977 178.841 176.870 -0.010 0.000 1.085 577 L CA 0.569 55.378 54.840 -0.051 0.000 0.755 577 L CB -0.289 41.749 42.059 -0.036 0.000 0.904 577 L HN 0.297 nan 8.230 nan 0.000 0.435 578 L N -0.125 121.080 121.223 -0.031 0.000 2.072 578 L HA -0.185 4.147 4.340 -0.014 0.000 0.205 578 L C 2.051 178.931 176.870 0.017 0.000 1.079 578 L CA 1.765 56.590 54.840 -0.025 0.000 0.752 578 L CB -0.749 41.178 42.059 -0.220 0.000 0.906 578 L HN 0.269 nan 8.230 nan 0.000 0.436 579 N N -1.513 117.173 118.700 -0.024 0.000 2.084 579 N HA -0.243 4.489 4.740 -0.014 0.000 0.190 579 N C 1.946 177.538 175.510 0.135 0.000 1.030 579 N CA 1.634 54.761 53.050 0.129 0.000 0.849 579 N CB -0.155 38.351 38.487 0.032 0.000 1.012 579 N HN 0.484 nan 8.380 nan 0.000 0.423 580 C N 0.686 120.002 119.300 0.027 0.000 2.403 580 C HA -0.098 4.354 4.460 -0.014 0.000 0.277 580 C C 2.597 177.597 174.990 0.016 0.000 1.248 580 C CA 0.429 59.425 59.018 -0.037 0.000 1.762 580 C CB -1.271 26.395 27.740 -0.123 0.000 2.014 580 C HN 0.519 nan 8.230 nan 0.000 0.486 581 L N -0.589 120.705 121.223 0.118 0.000 2.093 581 L HA -0.160 4.172 4.340 -0.014 0.000 0.208 581 L C 2.708 179.756 176.870 0.298 0.000 1.085 581 L CA 1.657 56.617 54.840 0.200 0.000 0.755 581 L CB -1.083 41.168 42.059 0.320 0.000 0.904 581 L HN 0.597 nan 8.230 nan 0.000 0.435 582 H N -0.391 118.808 119.070 0.214 0.000 2.353 582 H HA -0.165 4.382 4.556 -0.014 0.000 0.300 582 H C 2.294 177.635 175.328 0.022 0.000 1.090 582 H CA 1.915 58.012 56.048 0.080 0.000 1.327 582 H CB 0.361 30.120 29.762 -0.006 0.000 1.383 582 H HN 0.181 nan 8.280 nan 0.000 0.508 583 V N 1.018 120.861 119.914 -0.118 0.000 2.548 583 V HA -0.152 3.960 4.120 -0.014 0.000 0.249 583 V C 2.386 178.442 176.094 -0.063 0.000 1.055 583 V CA 1.357 63.544 62.300 -0.190 0.000 1.065 583 V CB -0.525 31.236 31.823 -0.102 0.000 0.681 583 V HN 0.387 nan 8.190 nan 0.000 0.462 584 I N 0.135 120.710 120.570 0.008 0.000 2.202 584 I HA -0.208 3.953 4.170 -0.014 0.000 0.242 584 I C 2.562 178.781 176.117 0.171 0.000 1.091 584 I CA 2.014 63.408 61.300 0.157 0.000 1.368 584 I CB -0.788 37.264 38.000 0.087 0.000 1.058 584 I HN 0.297 nan 8.210 nan 0.000 0.410 585 T N 1.358 115.962 114.554 0.083 0.000 2.635 585 T HA -0.199 4.143 4.350 -0.014 0.000 0.267 585 T C 1.866 176.551 174.700 -0.025 0.000 1.040 585 T CA 1.417 63.549 62.100 0.054 0.000 1.156 585 T CB -0.310 68.608 68.868 0.082 0.000 0.863 585 T HN 0.066 nan 8.240 nan 0.000 0.430 586 L N 0.170 121.311 121.223 -0.136 0.000 2.012 586 L HA -0.068 4.264 4.340 -0.014 0.000 0.210 586 L C 2.138 178.991 176.870 -0.029 0.000 1.073 586 L CA 1.620 56.371 54.840 -0.148 0.000 0.748 586 L CB -1.328 40.580 42.059 -0.251 0.000 0.891 586 L HN 0.350 nan 8.230 nan 0.000 0.431 587 Y N 0.705 120.963 120.300 -0.069 0.000 2.114 587 Y HA -0.299 4.243 4.550 -0.014 0.000 0.282 587 Y C 2.463 178.365 175.900 0.003 0.000 1.165 587 Y CA 2.031 60.128 58.100 -0.005 0.000 1.148 587 Y CB -0.404 38.103 38.460 0.079 0.000 0.972 587 Y HN 0.302 nan 8.280 nan 0.000 0.504 588 N N 0.261 118.870 118.700 -0.151 0.000 2.216 588 N HA -0.095 4.637 4.740 -0.014 0.000 0.183 588 N C 1.888 177.291 175.510 -0.179 0.000 1.017 588 N CA 1.284 54.195 53.050 -0.232 0.000 0.861 588 N CB -0.362 38.087 38.487 -0.064 0.000 0.986 588 N HN 0.434 nan 8.380 nan 0.000 0.428 589 R N 0.892 121.323 120.500 -0.114 0.000 2.152 589 R HA 0.019 4.350 4.340 -0.014 0.000 0.232 589 R C 2.009 178.243 176.300 -0.110 0.000 1.117 589 R CA 0.813 56.855 56.100 -0.096 0.000 0.981 589 R CB -0.160 30.095 30.300 -0.075 0.000 0.870 589 R HN 0.409 nan 8.270 nan 0.000 0.451 590 I N -2.856 117.631 120.570 -0.137 0.000 3.968 590 I HA 0.160 4.322 4.170 -0.014 0.000 0.328 590 I C 1.384 177.405 176.117 -0.160 0.000 1.290 590 I CA 0.400 61.627 61.300 -0.122 0.000 1.163 590 I CB 0.207 38.148 38.000 -0.098 0.000 1.024 590 I HN -0.189 nan 8.210 nan 0.000 0.413 591 K N 1.895 122.142 120.400 -0.255 0.000 2.167 591 K HA -0.005 4.307 4.320 -0.014 0.000 0.203 591 K C 2.133 178.634 176.600 -0.165 0.000 1.052 591 K CA 0.941 57.070 56.287 -0.264 0.000 0.956 591 K CB -0.119 32.117 32.500 -0.440 0.000 0.735 591 K HN 0.081 nan 8.250 nan 0.000 0.451 592 K N 1.110 121.423 120.400 -0.144 0.000 2.116 592 K HA -0.000 4.312 4.320 -0.014 0.000 0.203 592 K C -0.374 176.181 176.600 -0.075 0.000 1.052 592 K CA 1.044 57.271 56.287 -0.100 0.000 0.952 592 K CB 0.410 32.857 32.500 -0.088 0.000 0.729 592 K HN 0.184 nan 8.250 nan 0.000 0.446 593 E N 0.849 121.006 120.200 -0.072 0.000 3.037 593 E HA 0.165 4.507 4.350 -0.014 0.000 0.220 593 E C -2.309 174.264 176.600 -0.045 0.000 1.142 593 E CA -1.625 54.746 56.400 -0.048 0.000 0.888 593 E CB 1.393 31.071 29.700 -0.037 0.000 1.329 593 E HN -0.009 nan 8.360 nan 0.000 0.409 594 P HA -0.177 nan 4.420 nan 0.000 0.216 594 P C 0.311 177.602 177.300 -0.015 0.000 1.150 594 P CA 1.301 64.379 63.100 -0.036 0.000 0.843 594 P CB 0.177 31.859 31.700 -0.030 0.000 0.787 595 N N -0.914 117.783 118.700 -0.004 0.000 2.376 595 N HA 0.045 4.777 4.740 -0.014 0.000 0.249 595 N C -0.089 175.440 175.510 0.032 0.000 1.140 595 N CA -0.192 52.867 53.050 0.016 0.000 0.870 595 N CB -0.183 38.310 38.487 0.012 0.000 1.124 595 N HN 0.290 nan 8.380 nan 0.000 0.505 596 K N 0.111 120.528 120.400 0.028 0.000 2.156 596 K HA 0.221 4.533 4.320 -0.014 0.000 0.271 596 K C -0.823 175.835 176.600 0.096 0.000 0.995 596 K CA -0.748 55.571 56.287 0.053 0.000 0.890 596 K CB 1.099 33.609 32.500 0.017 0.000 1.073 596 K HN -0.113 nan 8.250 nan 0.000 0.454 597 F N 3.930 123.869 119.950 -0.018 0.000 2.456 597 F HA 0.226 4.745 4.527 -0.014 0.000 0.358 597 F C -0.502 175.287 175.800 -0.018 0.000 1.095 597 F CA -0.344 57.647 58.000 -0.016 0.000 1.216 597 F CB 0.794 39.786 39.000 -0.013 0.000 1.125 597 F HN 0.384 nan 8.300 nan 0.000 0.549 598 V N 4.573 124.125 119.914 -0.604 0.000 2.769 598 V HA 0.552 4.664 4.120 -0.014 0.000 0.312 598 V C -0.473 175.011 176.094 -1.018 0.000 1.061 598 V CA -1.218 60.738 62.300 -0.573 0.000 0.931 598 V CB 1.061 32.705 31.823 -0.298 0.000 1.010 598 V HN 0.597 nan 8.190 nan 0.000 0.433 599 V N 5.900 125.392 119.914 -0.704 0.000 2.509 599 V HA 0.161 4.272 4.120 -0.014 0.000 0.297 599 V C -1.493 174.398 176.094 -0.339 0.000 1.014 599 V CA -0.303 61.715 62.300 -0.470 0.000 1.127 599 V CB 0.585 32.309 31.823 -0.165 0.000 0.925 599 V HN 0.957 nan 8.190 nan 0.000 0.480 600 P HA 0.305 nan 4.420 nan 0.000 0.276 600 P C -0.873 176.343 177.300 -0.139 0.000 1.230 600 P CA -0.344 62.658 63.100 -0.163 0.000 0.776 600 P CB 0.703 32.352 31.700 -0.085 0.000 0.888 601 R N 0.506 120.934 120.500 -0.119 0.000 2.725 601 R HA 0.597 4.929 4.340 -0.014 0.000 0.277 601 R C -1.176 175.093 176.300 -0.052 0.000 0.987 601 R CA -0.704 55.333 56.100 -0.105 0.000 0.901 601 R CB 0.540 30.744 30.300 -0.158 0.000 1.207 601 R HN 0.200 nan 8.270 nan 0.000 0.463 602 T N 2.006 116.560 114.554 -0.000 0.000 2.743 602 T HA 0.211 4.553 4.350 -0.014 0.000 0.292 602 T C -0.572 174.066 174.700 -0.102 0.000 0.972 602 T CA -0.537 61.529 62.100 -0.056 0.000 0.967 602 T CB 1.099 69.914 68.868 -0.088 0.000 0.926 602 T HN 0.419 nan 8.240 nan 0.000 0.459 603 V N 6.486 126.336 119.914 -0.105 0.000 2.370 603 V HA 0.646 4.758 4.120 -0.014 0.000 0.283 603 V C -0.734 175.287 176.094 -0.122 0.000 1.023 603 V CA -0.803 61.435 62.300 -0.103 0.000 0.857 603 V CB 0.991 32.767 31.823 -0.078 0.000 0.985 603 V HN 0.892 nan 8.190 nan 0.000 0.443 604 M N 8.071 127.586 119.600 -0.141 0.000 2.125 604 M HA 0.574 5.046 4.480 -0.014 0.000 0.321 604 M C -1.021 175.156 176.300 -0.204 0.000 0.983 604 M CA -0.168 55.032 55.300 -0.168 0.000 0.934 604 M CB 1.826 34.325 32.600 -0.169 0.000 1.542 604 M HN 0.453 nan 8.290 nan 0.000 0.424 605 I N 2.195 122.608 120.570 -0.262 0.000 2.406 605 I HA 0.760 4.922 4.170 -0.014 0.000 0.290 605 I C 0.233 175.932 176.117 -0.696 0.000 0.999 605 I CA -0.614 60.490 61.300 -0.328 0.000 1.124 605 I CB 2.057 39.964 38.000 -0.156 0.000 1.289 605 I HN 0.775 nan 8.210 nan 0.000 0.441 606 G N 3.245 111.633 108.800 -0.686 0.000 2.667 606 G HA2 0.820 4.772 3.960 -0.014 0.000 0.298 606 G HA3 0.820 4.772 3.960 -0.014 0.000 0.298 606 G C -0.901 173.692 174.900 -0.512 0.000 1.377 606 G CA -0.814 43.801 45.100 -0.807 0.000 0.964 606 G HN 0.958 nan 8.290 nan 0.000 0.493 607 G N -0.060 108.633 108.800 -0.178 0.000 2.347 607 G HA2 0.432 4.384 3.960 -0.014 0.000 0.303 607 G HA3 0.432 4.384 3.960 -0.014 0.000 0.303 607 G C -1.480 173.568 174.900 0.246 0.000 1.481 607 G CA -1.018 44.127 45.100 0.074 0.000 0.914 607 G HN 0.610 nan 8.290 nan 0.000 0.638 608 K N -0.178 120.365 120.400 0.237 0.000 2.156 608 K HA 0.743 5.054 4.320 -0.014 0.000 0.254 608 K C 0.043 176.816 176.600 0.288 0.000 0.950 608 K CA -0.439 56.013 56.287 0.276 0.000 0.849 608 K CB 2.253 34.837 32.500 0.139 0.000 1.100 608 K HN 0.824 nan 8.250 nan 0.000 0.434 609 A N 1.736 124.762 122.820 0.343 0.000 2.274 609 A HA 0.587 4.899 4.320 -0.014 0.000 0.309 609 A C -0.191 177.627 177.584 0.389 0.000 1.226 609 A CA -0.616 51.587 52.037 0.276 0.000 0.853 609 A CB 0.740 19.826 19.000 0.144 0.000 1.146 609 A HN 0.799 nan 8.150 nan 0.000 0.518 610 A N 4.085 127.161 122.820 0.427 0.000 2.531 610 A HA 0.431 4.743 4.320 -0.014 0.000 0.236 610 A C -1.400 176.324 177.584 0.233 0.000 1.062 610 A CA -0.645 51.631 52.037 0.398 0.000 0.760 610 A CB -0.311 18.969 19.000 0.467 0.000 0.995 610 A HN 0.620 nan 8.150 nan 0.000 0.501 611 P HA -0.071 nan 4.420 nan 0.000 0.218 611 P C 1.081 178.385 177.300 0.007 0.000 1.148 611 P CA 1.849 64.904 63.100 -0.075 0.000 0.822 611 P CB 0.264 31.841 31.700 -0.205 0.000 0.784 612 G N -2.735 106.091 108.800 0.043 0.000 3.690 612 G HA2 -0.016 3.936 3.960 -0.014 0.000 0.283 612 G HA3 -0.016 3.936 3.960 -0.014 0.000 0.283 612 G C -0.601 174.383 174.900 0.139 0.000 1.057 612 G CA 0.051 45.177 45.100 0.043 0.000 0.821 612 G HN 0.110 nan 8.290 nan 0.000 0.526 613 Y N 1.866 122.203 120.300 0.061 0.000 2.650 613 Y HA 0.252 4.794 4.550 -0.014 0.000 0.343 613 Y C 1.243 177.234 175.900 0.153 0.000 1.078 613 Y CA -1.788 56.394 58.100 0.136 0.000 1.356 613 Y CB -0.485 38.132 38.460 0.263 0.000 1.204 613 Y HN 0.429 nan 8.280 nan 0.000 0.508 614 H N 4.595 123.825 119.070 0.266 0.000 2.319 614 H HA -0.160 4.388 4.556 -0.013 0.000 0.299 614 H C 1.475 176.845 175.328 0.069 0.000 1.092 614 H CA 1.850 57.980 56.048 0.137 0.000 1.302 614 H CB 0.551 30.383 29.762 0.118 0.000 1.373 614 H HN 0.525 nan 8.280 nan 0.000 0.497 615 M N 0.735 120.333 119.600 -0.002 0.000 2.080 615 M HA -0.142 4.330 4.480 -0.014 0.000 0.260 615 M C 2.769 178.821 176.300 -0.414 0.000 1.068 615 M CA 1.461 56.637 55.300 -0.208 0.000 1.109 615 M CB -1.339 31.224 32.600 -0.062 0.000 1.342 615 M HN 0.414 nan 8.290 nan 0.000 0.405 616 A N -0.001 122.331 122.820 -0.814 0.000 1.940 616 A HA -0.178 4.133 4.320 -0.014 0.000 0.219 616 A C 2.159 179.593 177.584 -0.250 0.000 1.176 616 A CA 1.486 53.169 52.037 -0.590 0.000 0.631 616 A CB -0.463 18.101 19.000 -0.727 0.000 0.814 616 A HN 0.439 nan 8.150 nan 0.000 0.446 617 K N -1.033 119.273 120.400 -0.156 0.000 2.217 617 K HA 0.025 4.337 4.320 -0.014 0.000 0.202 617 K C 1.723 178.312 176.600 -0.018 0.000 1.051 617 K CA 0.832 57.111 56.287 -0.013 0.000 0.952 617 K CB -0.285 32.277 32.500 0.103 0.000 0.736 617 K HN 0.393 nan 8.250 nan 0.000 0.453 618 M N 0.546 120.077 119.600 -0.115 0.000 2.349 618 M HA 0.030 4.502 4.480 -0.014 0.000 0.266 618 M C 2.147 178.392 176.300 -0.092 0.000 1.076 618 M CA 1.018 56.271 55.300 -0.078 0.000 1.126 618 M CB -0.527 31.964 32.600 -0.181 0.000 1.392 618 M HN 0.049 nan 8.290 nan 0.000 0.440 619 I N -0.384 120.095 120.570 -0.150 0.000 2.439 619 I HA -0.251 3.911 4.170 -0.014 0.000 0.251 619 I C 2.176 178.180 176.117 -0.188 0.000 1.139 619 I CA 0.902 62.105 61.300 -0.161 0.000 1.438 619 I CB -0.196 37.713 38.000 -0.152 0.000 1.085 619 I HN 0.156 nan 8.210 nan 0.000 0.427 620 I N 0.713 121.148 120.570 -0.225 0.000 2.315 620 I HA -0.265 3.897 4.170 -0.014 0.000 0.248 620 I C 2.513 178.357 176.117 -0.455 0.000 1.117 620 I CA 1.075 62.126 61.300 -0.414 0.000 1.404 620 I CB -0.200 37.534 38.000 -0.442 0.000 1.071 620 I HN 0.118 nan 8.210 nan 0.000 0.419 621 K N 1.386 121.543 120.400 -0.404 0.000 2.155 621 K HA -0.064 4.247 4.320 -0.014 0.000 0.203 621 K C 1.957 178.427 176.600 -0.218 0.000 1.052 621 K CA 1.263 57.235 56.287 -0.525 0.000 0.948 621 K CB -0.415 31.507 32.500 -0.963 0.000 0.728 621 K HN 0.212 nan 8.250 nan 0.000 0.448 622 L N 0.279 121.380 121.223 -0.203 0.000 2.017 622 L HA -0.150 4.182 4.340 -0.014 0.000 0.208 622 L C 2.119 178.771 176.870 -0.364 0.000 1.073 622 L CA 1.482 56.020 54.840 -0.503 0.000 0.745 622 L CB -0.249 41.426 42.059 -0.639 0.000 0.894 622 L HN 0.209 nan 8.230 nan 0.000 0.432 623 I N -0.384 120.029 120.570 -0.261 0.000 2.179 623 I HA -0.321 3.841 4.170 -0.014 0.000 0.242 623 I C 2.620 178.653 176.117 -0.139 0.000 1.088 623 I CA 1.918 63.123 61.300 -0.158 0.000 1.357 623 I CB -0.662 37.345 38.000 0.012 0.000 1.051 623 I HN 0.418 nan 8.210 nan 0.000 0.409 624 T N -0.801 113.636 114.554 -0.195 0.000 2.867 624 T HA -0.030 4.312 4.350 -0.014 0.000 0.268 624 T C 1.984 176.618 174.700 -0.110 0.000 1.057 624 T CA 0.869 62.879 62.100 -0.150 0.000 1.136 624 T CB -0.409 68.312 68.868 -0.245 0.000 0.874 624 T HN 0.334 nan 8.240 nan 0.000 0.466 625 A N 1.393 124.148 122.820 -0.110 0.000 1.972 625 A HA 0.148 4.460 4.320 -0.014 0.000 0.219 625 A C 2.335 179.935 177.584 0.027 0.000 1.169 625 A CA 1.222 53.256 52.037 -0.005 0.000 0.635 625 A CB -0.782 18.297 19.000 0.133 0.000 0.810 625 A HN 0.612 nan 8.150 nan 0.000 0.446 626 I N -0.532 119.974 120.570 -0.106 0.000 2.286 626 I HA -0.136 4.026 4.170 -0.014 0.000 0.245 626 I C 2.649 178.728 176.117 -0.063 0.000 1.104 626 I CA 1.024 62.269 61.300 -0.092 0.000 1.397 626 I CB -0.492 37.339 38.000 -0.281 0.000 1.072 626 I HN 0.376 nan 8.210 nan 0.000 0.417 627 G N 0.166 108.919 108.800 -0.079 0.000 2.422 627 G HA2 -0.220 3.732 3.960 -0.014 0.000 0.218 627 G HA3 -0.220 3.732 3.960 -0.014 0.000 0.218 627 G C 1.252 176.109 174.900 -0.071 0.000 1.140 627 G CA 0.681 45.732 45.100 -0.083 0.000 0.775 627 G HN 0.258 nan 8.290 nan 0.000 0.545 628 D N 0.036 120.437 120.400 0.002 0.000 2.178 628 D HA -0.059 4.573 4.640 -0.014 0.000 0.202 628 D C 2.714 179.077 176.300 0.104 0.000 0.974 628 D CA 0.530 54.596 54.000 0.111 0.000 0.841 628 D CB 0.016 40.853 40.800 0.063 0.000 0.953 628 D HN 0.244 nan 8.370 nan 0.000 0.478 629 V N 0.219 120.096 119.914 -0.061 0.000 2.256 629 V HA -0.149 3.963 4.120 -0.014 0.000 0.240 629 V C 2.659 178.627 176.094 -0.209 0.000 1.036 629 V CA 0.790 62.977 62.300 -0.189 0.000 1.008 629 V CB -0.635 30.920 31.823 -0.447 0.000 0.648 629 V HN 0.000 nan 8.190 nan 0.000 0.453 630 V N 1.146 120.878 119.914 -0.303 0.000 2.324 630 V HA -0.279 3.833 4.120 -0.014 0.000 0.250 630 V C 2.131 178.116 176.094 -0.183 0.000 1.060 630 V CA 2.408 64.553 62.300 -0.259 0.000 1.042 630 V CB -1.047 30.634 31.823 -0.237 0.000 0.650 630 V HN 0.581 nan 8.190 nan 0.000 0.450 631 N N -0.669 117.846 118.700 -0.309 0.000 2.550 631 N HA -0.062 4.670 4.740 -0.014 0.000 0.186 631 N C 1.133 176.221 175.510 -0.703 0.000 1.110 631 N CA 0.777 53.557 53.050 -0.449 0.000 0.912 631 N CB -0.244 37.942 38.487 -0.501 0.000 0.968 631 N HN 0.720 nan 8.380 nan 0.000 0.448 632 H N -1.863 117.201 119.070 -0.010 0.000 2.785 632 H HA 0.231 4.779 4.556 -0.013 0.000 0.268 632 H C -0.591 174.747 175.328 0.017 0.000 1.153 632 H CA -0.516 55.533 56.048 0.002 0.000 1.111 632 H CB 0.695 30.449 29.762 -0.014 0.000 1.633 632 H HN 0.006 nan 8.280 nan 0.000 0.576 633 D N 2.078 122.513 120.400 0.059 0.000 2.264 633 D HA 0.038 4.670 4.640 -0.014 0.000 0.250 633 D C -1.412 174.935 176.300 0.077 0.000 1.113 633 D CA -1.870 52.194 54.000 0.106 0.000 0.871 633 D CB 2.004 42.925 40.800 0.203 0.000 1.167 633 D HN 0.145 nan 8.370 nan 0.000 0.447 634 P HA -0.032 nan 4.420 nan 0.000 0.227 634 P C 1.392 178.714 177.300 0.037 0.000 1.161 634 P CA 0.171 63.298 63.100 0.046 0.000 0.788 634 P CB 0.654 32.379 31.700 0.040 0.000 0.822 635 V N 0.042 119.981 119.914 0.042 0.000 2.719 635 V HA -0.111 4.001 4.120 -0.014 0.000 0.252 635 V C 2.706 178.813 176.094 0.021 0.000 1.065 635 V CA 1.129 63.442 62.300 0.022 0.000 1.086 635 V CB -0.732 31.097 31.823 0.009 0.000 0.700 635 V HN -0.066 nan 8.190 nan 0.000 0.467 636 V N 0.046 119.987 119.914 0.045 0.000 2.427 636 V HA 0.080 4.192 4.120 -0.014 0.000 0.248 636 V C 1.795 177.901 176.094 0.020 0.000 1.051 636 V CA 1.497 63.825 62.300 0.046 0.000 1.048 636 V CB -1.134 30.748 31.823 0.099 0.000 0.666 636 V HN 0.722 nan 8.190 nan 0.000 0.456 637 G N 1.491 110.303 108.800 0.020 0.000 2.566 637 G HA2 -0.374 3.578 3.960 -0.014 0.000 0.280 637 G HA3 -0.374 3.578 3.960 -0.014 0.000 0.280 637 G C 0.533 175.433 174.900 -0.000 0.000 1.225 637 G CA 0.426 45.531 45.100 0.009 0.000 0.966 637 G HN 0.584 nan 8.290 nan 0.000 0.560 638 D N 0.375 120.775 120.400 -0.001 0.000 2.339 638 D HA 0.055 4.687 4.640 -0.014 0.000 0.217 638 D C 2.070 178.365 176.300 -0.008 0.000 1.050 638 D CA 0.363 54.361 54.000 -0.003 0.000 0.856 638 D CB 0.036 40.839 40.800 0.004 0.000 0.922 638 D HN 0.532 nan 8.370 nan 0.000 0.518 639 R N -0.344 120.146 120.500 -0.018 0.000 2.120 639 R HA 0.039 4.370 4.340 -0.014 0.000 0.234 639 R C 0.396 176.663 176.300 -0.055 0.000 1.123 639 R CA 0.683 56.753 56.100 -0.049 0.000 0.975 639 R CB -0.034 30.225 30.300 -0.069 0.000 0.866 639 R HN 0.157 nan 8.270 nan 0.000 0.446 640 L N 0.171 121.375 121.223 -0.032 0.000 2.438 640 L HA 0.471 4.803 4.340 -0.014 0.000 0.270 640 L C -1.479 175.368 176.870 -0.040 0.000 0.972 640 L CA -0.739 54.078 54.840 -0.038 0.000 0.831 640 L CB 1.903 43.950 42.059 -0.020 0.000 1.273 640 L HN -0.215 nan 8.230 nan 0.000 0.405 641 R N 2.635 123.103 120.500 -0.053 0.000 2.686 641 R HA 0.866 5.198 4.340 -0.014 0.000 0.283 641 R C -1.594 174.658 176.300 -0.079 0.000 0.978 641 R CA -0.614 55.446 56.100 -0.066 0.000 0.897 641 R CB 2.502 32.774 30.300 -0.046 0.000 1.192 641 R HN 0.412 nan 8.270 nan 0.000 0.457 642 V N 4.401 124.263 119.914 -0.087 0.000 2.540 642 V HA 0.574 4.686 4.120 -0.014 0.000 0.302 642 V C -0.649 175.406 176.094 -0.065 0.000 1.035 642 V CA -0.756 61.495 62.300 -0.081 0.000 0.873 642 V CB 1.929 33.703 31.823 -0.082 0.000 0.992 642 V HN 0.515 nan 8.190 nan 0.000 0.428 643 I N 4.514 125.044 120.570 -0.067 0.000 2.478 643 I HA 0.398 4.560 4.170 -0.014 0.000 0.287 643 I C -0.796 175.288 176.117 -0.055 0.000 1.042 643 I CA -0.644 60.621 61.300 -0.058 0.000 1.067 643 I CB 1.715 39.659 38.000 -0.092 0.000 1.233 643 I HN 0.589 nan 8.210 nan 0.000 0.431 644 F N 7.149 127.037 119.950 -0.103 0.000 2.405 644 F HA 0.413 4.932 4.527 -0.013 0.000 0.355 644 F C -0.224 175.512 175.800 -0.107 0.000 1.121 644 F CA -0.632 57.306 58.000 -0.103 0.000 1.112 644 F CB 0.889 39.828 39.000 -0.101 0.000 1.126 644 F HN 0.191 nan 8.300 nan 0.000 0.481 645 L N 6.218 127.050 121.223 -0.652 0.000 2.385 645 L HA 0.177 4.508 4.340 -0.014 0.000 0.285 645 L C 0.281 176.977 176.870 -0.289 0.000 1.125 645 L CA 0.086 54.696 54.840 -0.382 0.000 0.890 645 L CB -0.163 41.716 42.059 -0.299 0.000 1.251 645 L HN 0.596 nan 8.230 nan 0.000 0.445 646 E N 2.894 123.011 120.200 -0.139 0.000 2.384 646 E HA -0.061 4.280 4.350 -0.014 0.000 0.266 646 E C 0.502 177.154 176.600 0.086 0.000 1.012 646 E CA -0.051 56.359 56.400 0.015 0.000 0.901 646 E CB 0.241 29.849 29.700 -0.154 0.000 0.967 646 E HN 0.505 nan 8.360 nan 0.000 0.435 647 N N 2.849 121.659 118.700 0.183 0.000 2.714 647 N HA -0.280 4.452 4.740 -0.014 0.000 0.253 647 N C -1.499 174.115 175.510 0.173 0.000 1.024 647 N CA 0.451 53.612 53.050 0.185 0.000 0.726 647 N CB -1.392 37.217 38.487 0.202 0.000 0.908 647 N HN 0.437 nan 8.380 nan 0.000 0.542 648 Y N 1.567 121.886 120.300 0.032 0.000 2.721 648 Y HA 0.140 4.682 4.550 -0.014 0.000 0.329 648 Y C 1.193 177.108 175.900 0.025 0.000 1.211 648 Y CA 0.671 58.773 58.100 0.003 0.000 1.512 648 Y CB 0.283 38.721 38.460 -0.037 0.000 1.249 648 Y HN 0.416 nan 8.280 nan 0.000 0.549 649 R N 2.269 122.464 120.500 -0.509 0.000 2.756 649 R HA 0.434 4.766 4.340 -0.014 0.000 0.273 649 R C -0.402 175.551 176.300 -0.578 0.000 1.030 649 R CA -0.619 55.223 56.100 -0.431 0.000 0.887 649 R CB 0.277 30.511 30.300 -0.111 0.000 1.274 649 R HN 0.331 nan 8.270 nan 0.000 0.461 650 V N 1.104 120.695 119.914 -0.537 0.000 2.282 650 V HA -0.292 3.820 4.120 -0.014 0.000 0.249 650 V C 2.455 178.412 176.094 -0.229 0.000 1.057 650 V CA 2.918 64.979 62.300 -0.397 0.000 1.032 650 V CB -0.737 30.832 31.823 -0.423 0.000 0.645 650 V HN 0.918 nan 8.190 nan 0.000 0.447 651 S N -0.415 115.175 115.700 -0.184 0.000 2.453 651 S HA -0.085 4.377 4.470 -0.014 0.000 0.231 651 S C 1.815 176.355 174.600 -0.098 0.000 1.005 651 S CA 1.188 59.307 58.200 -0.136 0.000 0.949 651 S CB -0.288 62.856 63.200 -0.094 0.000 0.774 651 S HN 0.397 nan 8.310 nan 0.000 0.510 652 L N 1.906 123.077 121.223 -0.087 0.000 2.179 652 L HA 0.415 4.747 4.340 -0.014 0.000 0.208 652 L C 2.550 179.417 176.870 -0.006 0.000 1.096 652 L CA 1.255 56.085 54.840 -0.017 0.000 0.779 652 L CB -1.302 40.812 42.059 0.092 0.000 0.922 652 L HN 0.305 nan 8.230 nan 0.000 0.443 653 A N -0.555 122.242 122.820 -0.039 0.000 1.940 653 A HA -0.227 4.085 4.320 -0.014 0.000 0.219 653 A C 2.114 179.749 177.584 0.087 0.000 1.176 653 A CA 1.819 53.899 52.037 0.072 0.000 0.631 653 A CB -0.584 18.453 19.000 0.063 0.000 0.814 653 A HN 0.600 nan 8.150 nan 0.000 0.446 654 E N -0.438 119.792 120.200 0.050 0.000 2.338 654 E HA -0.132 4.210 4.350 -0.014 0.000 0.197 654 E C 1.875 178.439 176.600 -0.061 0.000 1.007 654 E CA 1.008 57.401 56.400 -0.012 0.000 0.849 654 E CB -0.018 29.580 29.700 -0.169 0.000 0.774 654 E HN 0.621 nan 8.360 nan 0.000 0.506 655 K N 0.076 120.422 120.400 -0.090 0.000 2.029 655 K HA -0.048 4.264 4.320 -0.014 0.000 0.205 655 K C 2.215 178.659 176.600 -0.261 0.000 1.042 655 K CA 1.139 57.366 56.287 -0.101 0.000 0.949 655 K CB 0.093 32.535 32.500 -0.097 0.000 0.740 655 K HN -0.019 nan 8.250 nan 0.000 0.442 656 V N 1.468 121.107 119.914 -0.459 0.000 2.270 656 V HA -0.219 3.893 4.120 -0.014 0.000 0.245 656 V C 2.252 178.068 176.094 -0.464 0.000 1.043 656 V CA 1.534 63.351 62.300 -0.805 0.000 1.014 656 V CB -0.771 30.715 31.823 -0.561 0.000 0.645 656 V HN 0.232 nan 8.190 nan 0.000 0.447 657 I N 0.744 121.076 120.570 -0.397 0.000 2.236 657 I HA -0.188 3.974 4.170 -0.014 0.000 0.249 657 I C -0.206 175.771 176.117 -0.233 0.000 1.102 657 I CA 1.823 62.812 61.300 -0.518 0.000 1.365 657 I CB -1.386 36.228 38.000 -0.643 0.000 1.051 657 I HN 0.375 nan 8.210 nan 0.000 0.420 658 P HA -0.056 nan 4.420 nan 0.000 0.225 658 P C 1.048 178.342 177.300 -0.009 0.000 1.156 658 P CA 1.084 64.159 63.100 -0.042 0.000 0.787 658 P CB 0.094 31.780 31.700 -0.023 0.000 0.802 659 A N -0.805 121.991 122.820 -0.040 0.000 2.251 659 A HA 0.439 4.751 4.320 -0.014 0.000 0.209 659 A C 1.169 178.850 177.584 0.161 0.000 1.187 659 A CA 0.075 52.149 52.037 0.063 0.000 0.823 659 A CB -0.822 18.214 19.000 0.061 0.000 0.846 659 A HN 0.185 nan 8.150 nan 0.000 0.486 660 A N -0.011 122.887 122.820 0.129 0.000 2.401 660 A HA 0.441 4.753 4.320 -0.014 0.000 0.259 660 A C 0.408 178.138 177.584 0.243 0.000 1.103 660 A CA -0.111 52.073 52.037 0.244 0.000 0.789 660 A CB 0.282 19.538 19.000 0.428 0.000 1.035 660 A HN 0.300 nan 8.150 nan 0.000 0.491 661 D N 0.746 121.295 120.400 0.248 0.000 2.431 661 D HA 0.135 4.767 4.640 -0.014 0.000 0.235 661 D C 0.085 176.627 176.300 0.404 0.000 0.980 661 D CA 0.703 54.926 54.000 0.371 0.000 0.912 661 D CB 0.296 41.196 40.800 0.166 0.000 1.056 661 D HN 0.393 nan 8.370 nan 0.000 0.494 662 L N 0.905 122.236 121.223 0.180 0.000 2.385 662 L HA 0.318 4.649 4.340 -0.014 0.000 0.273 662 L C -0.860 175.911 176.870 -0.165 0.000 0.990 662 L CA -0.302 54.557 54.840 0.032 0.000 0.821 662 L CB 2.210 44.263 42.059 -0.010 0.000 1.279 662 L HN -0.193 nan 8.230 nan 0.000 0.412 663 S N 3.773 119.245 115.700 -0.379 0.000 2.429 663 S HA 0.332 4.793 4.470 -0.014 0.000 0.302 663 S C -0.469 173.821 174.600 -0.517 0.000 1.115 663 S CA -0.651 57.054 58.200 -0.825 0.000 1.095 663 S CB 0.631 63.223 63.200 -1.014 0.000 0.987 663 S HN 0.536 nan 8.310 nan 0.000 0.474 664 E N 3.911 123.858 120.200 -0.421 0.000 2.089 664 E HA 0.205 4.547 4.350 -0.014 0.000 0.284 664 E C -0.545 175.929 176.600 -0.210 0.000 1.023 664 E CA -0.433 55.834 56.400 -0.223 0.000 0.819 664 E CB 1.093 30.702 29.700 -0.151 0.000 1.076 664 E HN 0.578 nan 8.360 nan 0.000 0.396 665 Q N 2.949 122.668 119.800 -0.134 0.000 2.773 665 Q HA 0.274 4.606 4.340 -0.014 0.000 0.373 665 Q C 0.234 176.211 176.000 -0.039 0.000 0.940 665 Q CA -0.269 55.471 55.803 -0.104 0.000 1.015 665 Q CB 0.348 29.030 28.738 -0.093 0.000 1.349 665 Q HN 0.493 nan 8.270 nan 0.000 0.413 666 I N 1.022 121.561 120.570 -0.052 0.000 3.864 666 I HA -0.024 4.138 4.170 -0.014 0.000 0.326 666 I C 0.351 176.431 176.117 -0.062 0.000 1.444 666 I CA 0.200 61.495 61.300 -0.007 0.000 1.195 666 I CB 0.282 38.238 38.000 -0.073 0.000 1.124 666 I HN 0.096 nan 8.210 nan 0.000 0.407 667 S N -1.226 114.424 115.700 -0.084 0.000 2.593 667 S HA 0.263 4.725 4.470 -0.014 0.000 0.269 667 S C 0.501 175.082 174.600 -0.032 0.000 1.334 667 S CA -0.706 57.450 58.200 -0.073 0.000 1.015 667 S CB 0.422 63.596 63.200 -0.043 0.000 0.912 667 S HN 0.242 nan 8.310 nan 0.000 0.541 668 T N 2.466 117.032 114.554 0.021 0.000 2.888 668 T HA 0.416 4.758 4.350 -0.014 0.000 0.301 668 T C 0.702 175.409 174.700 0.012 0.000 1.001 668 T CA 0.062 62.182 62.100 0.034 0.000 1.147 668 T CB 0.109 69.058 68.868 0.134 0.000 0.931 668 T HN 0.949 nan 8.240 nan 0.000 0.541 669 A N 2.627 125.426 122.820 -0.035 0.000 2.567 669 A HA 0.462 4.773 4.320 -0.014 0.000 0.240 669 A C 1.654 179.228 177.584 -0.016 0.000 1.053 669 A CA 0.303 52.315 52.037 -0.042 0.000 0.755 669 A CB -0.841 18.120 19.000 -0.066 0.000 0.978 669 A HN 1.682 nan 8.150 nan 0.000 0.507 670 G N 1.220 110.010 108.800 -0.017 0.000 2.195 670 G HA2 -0.269 3.683 3.960 -0.014 0.000 0.246 670 G HA3 -0.269 3.683 3.960 -0.014 0.000 0.246 670 G C 0.967 175.857 174.900 -0.017 0.000 0.984 670 G CA 1.203 46.294 45.100 -0.014 0.000 0.633 670 G HN 2.018 nan 8.290 nan 0.000 0.525 671 T N -2.312 112.236 114.554 -0.010 0.000 3.040 671 T HA 0.410 4.752 4.350 -0.014 0.000 0.252 671 T C 0.748 175.365 174.700 -0.139 0.000 1.064 671 T CA 1.175 63.217 62.100 -0.097 0.000 1.110 671 T CB 0.570 69.416 68.868 -0.037 0.000 0.921 671 T HN 0.320 nan 8.240 nan 0.000 0.480 672 E N 1.054 121.264 120.200 0.017 0.000 2.167 672 E HA 0.681 5.022 4.350 -0.014 0.000 0.284 672 E C 0.964 177.534 176.600 -0.050 0.000 1.016 672 E CA -0.038 56.402 56.400 0.067 0.000 0.817 672 E CB 1.142 30.894 29.700 0.086 0.000 1.080 672 E HN 0.259 nan 8.360 nan 0.000 0.397 673 A N 3.301 126.030 122.820 -0.152 0.000 1.930 673 A HA -0.098 4.214 4.320 -0.014 0.000 0.217 673 A C 1.836 179.328 177.584 -0.154 0.000 1.175 673 A CA 1.895 53.743 52.037 -0.314 0.000 0.627 673 A CB -0.094 18.457 19.000 -0.747 0.000 0.815 673 A HN 0.585 nan 8.150 nan 0.000 0.443 674 S N -3.771 111.874 115.700 -0.092 0.000 4.471 674 S HA 0.450 4.911 4.470 -0.014 0.000 0.191 674 S C 0.616 175.195 174.600 -0.035 0.000 1.128 674 S CA 1.426 59.603 58.200 -0.038 0.000 1.153 674 S CB -0.128 63.065 63.200 -0.012 0.000 1.583 674 S HN 2.184 nan 8.310 nan 0.000 0.590 675 G N 0.571 109.356 108.800 -0.025 0.000 2.767 675 G HA2 -0.074 3.878 3.960 -0.014 0.000 0.686 675 G HA3 -0.074 3.878 3.960 -0.014 0.000 0.686 675 G C 0.204 175.077 174.900 -0.046 0.000 1.213 675 G CA 0.449 45.529 45.100 -0.033 0.000 0.803 675 G HN 1.293 nan 8.290 nan 0.000 0.603 676 T N -1.173 113.344 114.554 -0.062 0.000 2.986 676 T HA 0.403 4.745 4.350 -0.014 0.000 0.264 676 T C 2.288 176.893 174.700 -0.159 0.000 0.964 676 T CA 1.150 63.192 62.100 -0.097 0.000 0.895 676 T CB 0.646 69.463 68.868 -0.086 0.000 1.163 676 T HN 1.769 nan 8.240 nan 0.000 0.517 677 G N 3.119 111.848 108.800 -0.118 0.000 2.408 677 G HA2 -0.232 3.720 3.960 -0.014 0.000 0.217 677 G HA3 -0.232 3.720 3.960 -0.014 0.000 0.217 677 G C 1.454 176.414 174.900 0.101 0.000 1.150 677 G CA 1.047 46.107 45.100 -0.067 0.000 0.776 677 G HN 0.802 nan 8.290 nan 0.000 0.542 678 N N 0.144 118.853 118.700 0.014 0.000 2.104 678 N HA -0.168 4.564 4.740 -0.014 0.000 0.190 678 N C 2.217 177.711 175.510 -0.027 0.000 1.024 678 N CA 1.414 54.453 53.050 -0.018 0.000 0.853 678 N CB -0.376 38.062 38.487 -0.083 0.000 1.008 678 N HN 0.341 nan 8.380 nan 0.000 0.424 679 M N 0.817 120.350 119.600 -0.113 0.000 2.117 679 M HA -0.071 4.401 4.480 -0.014 0.000 0.262 679 M C 2.063 178.339 176.300 -0.040 0.000 1.065 679 M CA 1.628 56.854 55.300 -0.123 0.000 1.114 679 M CB -0.145 32.384 32.600 -0.118 0.000 1.361 679 M HN 0.115 nan 8.290 nan 0.000 0.408 680 K N -0.264 120.060 120.400 -0.126 0.000 2.103 680 K HA -0.122 4.189 4.320 -0.014 0.000 0.207 680 K C 1.678 178.233 176.600 -0.074 0.000 1.048 680 K CA 1.334 57.500 56.287 -0.201 0.000 0.930 680 K CB -0.252 31.902 32.500 -0.577 0.000 0.716 680 K HN 0.173 nan 8.250 nan 0.000 0.444 681 F N 0.740 120.617 119.950 -0.123 0.000 2.293 681 F HA -0.007 4.511 4.527 -0.014 0.000 0.297 681 F C 2.432 178.197 175.800 -0.058 0.000 1.089 681 F CA 0.937 58.886 58.000 -0.085 0.000 1.377 681 F CB -0.117 38.819 39.000 -0.107 0.000 1.051 681 F HN -0.033 nan 8.300 nan 0.000 0.511 682 M N -0.287 119.394 119.600 0.136 0.000 2.156 682 M HA -0.151 4.321 4.480 -0.014 0.000 0.264 682 M C 1.557 177.913 176.300 0.093 0.000 1.067 682 M CA 1.656 57.006 55.300 0.084 0.000 1.131 682 M CB -0.116 32.529 32.600 0.075 0.000 1.368 682 M HN 0.106 nan 8.290 nan 0.000 0.416 683 L N 0.020 121.302 121.223 0.098 0.000 2.465 683 L HA -0.064 4.268 4.340 -0.014 0.000 0.224 683 L C 1.273 178.191 176.870 0.079 0.000 1.145 683 L CA 0.975 55.874 54.840 0.098 0.000 0.834 683 L CB -0.946 41.183 42.059 0.117 0.000 0.944 683 L HN 0.299 nan 8.230 nan 0.000 0.451 684 N N 0.449 119.192 118.700 0.073 0.000 2.321 684 N HA 0.180 4.912 4.740 -0.014 0.000 0.242 684 N C 0.850 176.398 175.510 0.064 0.000 1.141 684 N CA 0.718 53.802 53.050 0.058 0.000 0.864 684 N CB 0.743 39.249 38.487 0.032 0.000 1.100 684 N HN 0.334 nan 8.380 nan 0.000 0.510 685 G N 0.869 109.706 108.800 0.062 0.000 2.298 685 G HA2 -0.199 3.753 3.960 -0.014 0.000 0.287 685 G HA3 -0.199 3.753 3.960 -0.014 0.000 0.287 685 G C -0.040 174.919 174.900 0.099 0.000 1.075 685 G CA 0.395 45.529 45.100 0.058 0.000 0.960 685 G HN 0.535 nan 8.290 nan 0.000 0.502 686 A N -0.672 122.207 122.820 0.098 0.000 2.354 686 A HA 0.927 5.239 4.320 -0.014 0.000 0.321 686 A C -0.420 177.131 177.584 -0.055 0.000 1.125 686 A CA -0.793 51.313 52.037 0.114 0.000 0.799 686 A CB 1.620 20.756 19.000 0.225 0.000 1.293 686 A HN 0.837 nan 8.150 nan 0.000 0.452 687 L N 0.510 121.631 121.223 -0.170 0.000 2.334 687 L HA 0.590 4.922 4.340 -0.014 0.000 0.275 687 L C 0.371 177.064 176.870 -0.295 0.000 1.036 687 L CA 0.302 54.962 54.840 -0.300 0.000 0.807 687 L CB 1.819 43.578 42.059 -0.500 0.000 1.231 687 L HN 0.747 nan 8.230 nan 0.000 0.438 688 T N 4.115 118.379 114.554 -0.483 0.000 2.795 688 T HA 0.508 4.849 4.350 -0.014 0.000 0.282 688 T C -0.175 174.298 174.700 -0.378 0.000 0.980 688 T CA -0.143 61.616 62.100 -0.568 0.000 1.012 688 T CB 0.822 69.129 68.868 -0.935 0.000 0.936 688 T HN 0.457 nan 8.240 nan 0.000 0.457 689 I N 2.729 123.194 120.570 -0.176 0.000 2.339 689 I HA 0.720 4.881 4.170 -0.014 0.000 0.290 689 I C 0.049 176.257 176.117 0.152 0.000 0.994 689 I CA 0.019 61.347 61.300 0.047 0.000 1.191 689 I CB 0.355 38.346 38.000 -0.015 0.000 1.343 689 I HN 0.774 nan 8.210 nan 0.000 0.458 690 G N 4.016 112.989 108.800 0.289 0.000 2.646 690 G HA2 0.437 4.389 3.960 -0.014 0.000 0.291 690 G HA3 0.437 4.389 3.960 -0.014 0.000 0.291 690 G C -0.924 173.912 174.900 -0.106 0.000 1.445 690 G CA -0.493 44.717 45.100 0.183 0.000 0.814 690 G HN 0.611 nan 8.290 nan 0.000 0.495 691 T N -1.596 112.755 114.554 -0.338 0.000 2.828 691 T HA 0.457 4.799 4.350 -0.014 0.000 0.290 691 T C 0.656 175.232 174.700 -0.206 0.000 1.019 691 T CA -0.447 61.369 62.100 -0.474 0.000 1.031 691 T CB 1.179 69.801 68.868 -0.411 0.000 1.001 691 T HN 0.347 nan 8.240 nan 0.000 0.531 692 M N 2.923 122.409 119.600 -0.190 0.000 3.042 692 M HA 0.298 4.770 4.480 -0.014 0.000 0.283 692 M C -0.767 175.472 176.300 -0.102 0.000 1.473 692 M CA -0.065 55.157 55.300 -0.129 0.000 1.583 692 M CB -1.596 30.931 32.600 -0.120 0.000 1.221 692 M HN 0.629 nan 8.290 nan 0.000 0.518 693 D N 1.614 121.964 120.400 -0.084 0.000 2.732 693 D HA 0.684 5.316 4.640 -0.014 0.000 0.229 693 D C 0.636 176.909 176.300 -0.045 0.000 1.152 693 D CA 0.799 54.764 54.000 -0.057 0.000 0.854 693 D CB 1.561 42.331 40.800 -0.049 0.000 1.590 693 D HN 0.583 nan 8.370 nan 0.000 0.468 694 G N 2.028 110.812 108.800 -0.027 0.000 2.652 694 G HA2 -0.293 3.659 3.960 -0.014 0.000 0.318 694 G HA3 -0.293 3.659 3.960 -0.014 0.000 0.318 694 G C 1.009 175.895 174.900 -0.024 0.000 1.295 694 G CA 1.279 46.369 45.100 -0.017 0.000 0.999 694 G HN 0.999 nan 8.290 nan 0.000 0.548 695 A N -0.127 122.672 122.820 -0.035 0.000 2.208 695 A HA 0.167 4.479 4.320 -0.014 0.000 0.209 695 A C 2.040 179.553 177.584 -0.118 0.000 1.161 695 A CA 1.577 53.585 52.037 -0.048 0.000 0.782 695 A CB -0.359 18.608 19.000 -0.056 0.000 0.816 695 A HN 0.574 nan 8.150 nan 0.000 0.477 696 N N 0.442 119.082 118.700 -0.099 0.000 2.272 696 N HA -0.132 4.600 4.740 -0.014 0.000 0.185 696 N C 1.561 176.929 175.510 -0.237 0.000 1.014 696 N CA 1.447 54.442 53.050 -0.091 0.000 0.870 696 N CB -0.414 38.081 38.487 0.012 0.000 0.975 696 N HN 0.312 nan 8.380 nan 0.000 0.433 697 V N 1.345 121.162 119.914 -0.162 0.000 2.307 697 V HA -0.179 3.933 4.120 -0.014 0.000 0.245 697 V C 1.961 177.968 176.094 -0.145 0.000 1.045 697 V CA 1.602 63.803 62.300 -0.164 0.000 1.024 697 V CB -0.377 31.390 31.823 -0.093 0.000 0.651 697 V HN 0.328 nan 8.190 nan 0.000 0.449 698 E N -0.686 119.488 120.200 -0.043 0.000 2.230 698 E HA -0.073 4.269 4.350 -0.014 0.000 0.192 698 E C 2.218 178.947 176.600 0.215 0.000 0.987 698 E CA 0.807 57.262 56.400 0.092 0.000 0.841 698 E CB -0.119 29.717 29.700 0.227 0.000 0.783 698 E HN 0.531 nan 8.360 nan 0.000 0.481 699 M N 0.639 120.284 119.600 0.076 0.000 2.067 699 M HA -0.132 4.340 4.480 -0.014 0.000 0.260 699 M C 2.548 178.734 176.300 -0.190 0.000 1.069 699 M CA 1.603 56.915 55.300 0.019 0.000 1.117 699 M CB -0.252 32.195 32.600 -0.255 0.000 1.334 699 M HN 0.132 nan 8.290 nan 0.000 0.407 700 A N -0.290 122.113 122.820 -0.694 0.000 1.969 700 A HA -0.194 4.118 4.320 -0.014 0.000 0.218 700 A C 1.988 179.383 177.584 -0.315 0.000 1.169 700 A CA 1.763 53.297 52.037 -0.839 0.000 0.635 700 A CB -0.788 17.572 19.000 -1.066 0.000 0.810 700 A HN 0.591 nan 8.150 nan 0.000 0.445 701 E N -0.585 119.495 120.200 -0.201 0.000 2.150 701 E HA -0.229 4.113 4.350 -0.014 0.000 0.193 701 E C 1.821 178.392 176.600 -0.049 0.000 0.985 701 E CA 1.321 57.661 56.400 -0.100 0.000 0.814 701 E CB -0.021 29.635 29.700 -0.073 0.000 0.752 701 E HN 0.563 nan 8.360 nan 0.000 0.466 702 E N 0.033 120.231 120.200 -0.004 0.000 2.076 702 E HA 0.004 4.346 4.350 -0.014 0.000 0.190 702 E C 1.523 178.143 176.600 0.033 0.000 0.979 702 E CA 1.250 57.667 56.400 0.028 0.000 0.807 702 E CB -0.051 29.715 29.700 0.111 0.000 0.761 702 E HN 0.299 nan 8.360 nan 0.000 0.454 703 A N -0.438 122.410 122.820 0.046 0.000 2.178 703 A HA 0.454 4.766 4.320 -0.014 0.000 0.211 703 A C 0.913 178.506 177.584 0.016 0.000 1.157 703 A CA 0.763 52.835 52.037 0.058 0.000 0.780 703 A CB -0.364 18.718 19.000 0.136 0.000 0.828 703 A HN 0.290 nan 8.150 nan 0.000 0.476 704 G N -0.422 108.364 108.800 -0.023 0.000 2.879 704 G HA2 -0.137 3.815 3.960 -0.014 0.000 0.686 704 G HA3 -0.137 3.815 3.960 -0.014 0.000 0.686 704 G C 0.078 174.950 174.900 -0.048 0.000 1.115 704 G CA -0.006 45.071 45.100 -0.040 0.000 0.770 704 G HN 0.264 nan 8.290 nan 0.000 0.601 705 E N 1.074 121.231 120.200 -0.071 0.000 2.209 705 E HA -0.179 4.163 4.350 -0.014 0.000 0.196 705 E C 2.090 178.667 176.600 -0.037 0.000 0.993 705 E CA 1.767 58.130 56.400 -0.062 0.000 0.819 705 E CB 0.085 29.747 29.700 -0.063 0.000 0.745 705 E HN 0.774 nan 8.360 nan 0.000 0.477 706 E N 0.649 120.817 120.200 -0.053 0.000 2.268 706 E HA -0.097 4.245 4.350 -0.014 0.000 0.195 706 E C 1.153 177.664 176.600 -0.149 0.000 0.995 706 E CA 0.619 56.967 56.400 -0.086 0.000 0.836 706 E CB -0.040 29.620 29.700 -0.068 0.000 0.763 706 E HN 0.145 nan 8.360 nan 0.000 0.491 707 N N -0.464 118.178 118.700 -0.096 0.000 2.268 707 N HA 0.116 4.848 4.740 -0.014 0.000 0.204 707 N C -0.877 174.559 175.510 -0.123 0.000 1.124 707 N CA 0.124 53.097 53.050 -0.128 0.000 0.838 707 N CB 0.368 38.831 38.487 -0.039 0.000 0.994 707 N HN 0.065 nan 8.380 nan 0.000 0.489 708 F N -0.330 119.415 119.950 -0.341 0.000 2.588 708 F HA 0.409 4.927 4.527 -0.015 0.000 0.314 708 F C -0.976 174.641 175.800 -0.305 0.000 1.069 708 F CA -1.084 56.770 58.000 -0.244 0.000 0.931 708 F CB 1.343 40.270 39.000 -0.122 0.000 1.260 708 F HN -0.233 nan 8.300 nan 0.000 0.465 709 F N 5.814 125.743 119.950 -0.036 0.000 2.334 709 F HA 0.377 4.896 4.527 -0.013 0.000 0.343 709 F C -0.317 175.606 175.800 0.204 0.000 1.136 709 F CA -0.720 57.321 58.000 0.069 0.000 1.237 709 F CB -0.032 38.961 39.000 -0.012 0.000 1.525 709 F HN 0.015 nan 8.300 nan 0.000 0.528 710 I N 3.451 124.243 120.570 0.370 0.000 2.575 710 I HA 0.221 4.382 4.170 -0.014 0.000 0.285 710 I C 0.083 176.343 176.117 0.238 0.000 1.085 710 I CA -0.243 61.197 61.300 0.235 0.000 1.403 710 I CB 0.099 38.159 38.000 0.101 0.000 1.409 710 I HN 0.378 nan 8.210 nan 0.000 0.557 711 F N 2.287 122.302 119.950 0.109 0.000 2.869 711 F HA 0.877 5.396 4.527 -0.014 0.000 0.325 711 F C 0.208 176.046 175.800 0.063 0.000 1.184 711 F CA -0.511 57.540 58.000 0.086 0.000 0.951 711 F CB 0.837 39.898 39.000 0.102 0.000 1.421 711 F HN 0.784 nan 8.300 nan 0.000 0.501 712 G N 0.540 109.382 108.800 0.070 0.000 2.828 712 G HA2 -0.160 3.792 3.960 -0.014 0.000 0.463 712 G HA3 -0.160 3.792 3.960 -0.014 0.000 0.463 712 G C -0.869 173.993 174.900 -0.062 0.000 1.394 712 G CA -0.423 44.662 45.100 -0.026 0.000 0.862 712 G HN 1.109 nan 8.290 nan 0.000 0.540 713 M N 0.073 119.652 119.600 -0.036 0.000 2.239 713 M HA 0.457 4.929 4.480 -0.014 0.000 0.348 713 M C 0.941 177.205 176.300 -0.061 0.000 1.239 713 M CA 0.066 55.355 55.300 -0.018 0.000 1.114 713 M CB 0.364 32.966 32.600 0.003 0.000 1.641 713 M HN 0.648 nan 8.290 nan 0.000 0.453 714 R N 2.139 122.614 120.500 -0.041 0.000 2.549 714 R HA 0.300 4.632 4.340 -0.014 0.000 0.259 714 R C 0.724 177.002 176.300 -0.038 0.000 1.095 714 R CA -0.489 55.580 56.100 -0.052 0.000 1.148 714 R CB 0.441 30.717 30.300 -0.040 0.000 1.181 714 R HN 0.680 nan 8.270 nan 0.000 0.571 715 V N 0.996 120.887 119.914 -0.038 0.000 2.358 715 V HA -0.191 3.921 4.120 -0.014 0.000 0.246 715 V C 1.990 178.071 176.094 -0.021 0.000 1.047 715 V CA 1.995 64.277 62.300 -0.030 0.000 1.035 715 V CB -0.346 31.458 31.823 -0.033 0.000 0.658 715 V HN 0.740 nan 8.190 nan 0.000 0.452 716 E N -0.070 120.119 120.200 -0.018 0.000 2.108 716 E HA -0.318 4.023 4.350 -0.014 0.000 0.203 716 E C 1.817 178.419 176.600 0.002 0.000 1.022 716 E CA 2.160 58.555 56.400 -0.009 0.000 0.823 716 E CB -0.200 29.495 29.700 -0.008 0.000 0.744 716 E HN 0.710 nan 8.360 nan 0.000 0.456 717 D N -0.356 120.048 120.400 0.006 0.000 2.183 717 D HA -0.098 4.534 4.640 -0.014 0.000 0.203 717 D C 2.079 178.393 176.300 0.024 0.000 0.969 717 D CA 0.535 54.548 54.000 0.023 0.000 0.842 717 D CB -0.172 40.644 40.800 0.027 0.000 0.957 717 D HN 0.117 nan 8.370 nan 0.000 0.484 718 V N 1.507 121.423 119.914 0.004 0.000 2.379 718 V HA -0.175 3.937 4.120 -0.014 0.000 0.245 718 V C 1.931 178.025 176.094 0.000 0.000 1.044 718 V CA 1.548 63.844 62.300 -0.007 0.000 1.036 718 V CB -0.282 31.527 31.823 -0.025 0.000 0.664 718 V HN 0.029 nan 8.190 nan 0.000 0.453 719 D N -0.056 120.343 120.400 -0.001 0.000 2.117 719 D HA -0.144 4.488 4.640 -0.014 0.000 0.197 719 D C 2.407 178.718 176.300 0.018 0.000 0.987 719 D CA 1.155 55.156 54.000 0.003 0.000 0.829 719 D CB -0.228 40.570 40.800 -0.003 0.000 0.961 719 D HN 0.321 nan 8.370 nan 0.000 0.460 720 R N -0.092 120.424 120.500 0.025 0.000 2.103 720 R HA -0.145 4.187 4.340 -0.014 0.000 0.242 720 R C 2.191 178.526 176.300 0.059 0.000 1.142 720 R CA 0.692 56.816 56.100 0.039 0.000 0.960 720 R CB -0.371 29.954 30.300 0.042 0.000 0.858 720 R HN 0.129 nan 8.270 nan 0.000 0.439 721 L N 0.840 122.107 121.223 0.073 0.000 2.201 721 L HA -0.110 4.221 4.340 -0.014 0.000 0.212 721 L C 1.093 178.033 176.870 0.117 0.000 1.105 721 L CA 1.843 56.755 54.840 0.121 0.000 0.775 721 L CB -0.155 41.989 42.059 0.142 0.000 0.913 721 L HN 0.072 nan 8.230 nan 0.000 0.440 722 D N -1.490 118.951 120.400 0.067 0.000 2.271 722 D HA -0.075 4.557 4.640 -0.014 0.000 0.206 722 D C 2.028 178.358 176.300 0.051 0.000 0.967 722 D CA 0.384 54.419 54.000 0.057 0.000 0.867 722 D CB 0.238 41.049 40.800 0.018 0.000 0.960 722 D HN 0.371 nan 8.370 nan 0.000 0.509 723 Q N 0.663 120.489 119.800 0.043 0.000 2.016 723 Q HA -0.086 4.246 4.340 -0.014 0.000 0.200 723 Q C 2.201 178.228 176.000 0.044 0.000 0.978 723 Q CA 0.809 56.633 55.803 0.035 0.000 0.833 723 Q CB -0.345 28.411 28.738 0.029 0.000 0.895 723 Q HN 0.285 nan 8.270 nan 0.000 0.427 724 R N 0.126 120.660 120.500 0.055 0.000 2.073 724 R HA -0.066 4.266 4.340 -0.014 0.000 0.234 724 R C 0.035 176.375 176.300 0.067 0.000 1.134 724 R CA 1.294 57.430 56.100 0.059 0.000 0.952 724 R CB -0.096 30.248 30.300 0.074 0.000 0.850 724 R HN 0.384 nan 8.270 nan 0.000 0.433 725 G N -0.314 108.543 108.800 0.095 0.000 3.444 725 G HA2 -0.234 3.718 3.960 -0.014 0.000 0.685 725 G HA3 -0.234 3.718 3.960 -0.014 0.000 0.685 725 G C -1.323 173.673 174.900 0.160 0.000 1.145 725 G CA -0.385 44.779 45.100 0.106 0.000 0.973 725 G HN 0.310 nan 8.290 nan 0.000 0.525 726 Y N 3.066 123.402 120.300 0.060 0.000 2.480 726 Y HA 0.524 5.066 4.550 -0.014 0.000 0.341 726 Y C 0.368 176.327 175.900 0.098 0.000 1.031 726 Y CA -1.027 57.129 58.100 0.094 0.000 1.295 726 Y CB 0.935 39.431 38.460 0.061 0.000 1.162 726 Y HN 0.678 nan 8.280 nan 0.000 0.523 727 N N 4.462 122.999 118.700 -0.273 0.000 2.476 727 N HA 0.402 5.133 4.740 -0.014 0.000 0.257 727 N C 0.102 175.365 175.510 -0.411 0.000 0.970 727 N CA 0.108 52.992 53.050 -0.276 0.000 0.938 727 N CB 1.433 39.853 38.487 -0.112 0.000 1.144 727 N HN 0.662 nan 8.380 nan 0.000 0.500 728 A N 2.944 125.485 122.820 -0.465 0.000 2.066 728 A HA -0.109 4.202 4.320 -0.014 0.000 0.218 728 A C 1.820 179.517 177.584 0.187 0.000 1.157 728 A CA 1.019 52.984 52.037 -0.120 0.000 0.670 728 A CB -0.409 18.525 19.000 -0.109 0.000 0.804 728 A HN 0.739 nan 8.150 nan 0.000 0.453 729 Q N 0.596 120.414 119.800 0.030 0.000 2.124 729 Q HA -0.210 4.122 4.340 -0.014 0.000 0.202 729 Q C 1.834 177.874 176.000 0.066 0.000 0.977 729 Q CA 2.143 57.968 55.803 0.036 0.000 0.850 729 Q CB -0.370 28.350 28.738 -0.030 0.000 0.901 729 Q HN 0.764 nan 8.270 nan 0.000 0.429 730 E N -1.315 118.868 120.200 -0.029 0.000 2.130 730 E HA -0.250 4.092 4.350 -0.014 0.000 0.196 730 E C 1.273 177.756 176.600 -0.194 0.000 0.998 730 E CA 1.455 57.767 56.400 -0.147 0.000 0.806 730 E CB -0.208 29.322 29.700 -0.285 0.000 0.738 730 E HN 0.586 nan 8.360 nan 0.000 0.459 731 Y N -1.352 118.991 120.300 0.070 0.000 2.395 731 Y HA -0.111 4.431 4.550 -0.014 0.000 0.293 731 Y C 1.972 177.828 175.900 -0.073 0.000 1.123 731 Y CA 1.205 59.326 58.100 0.035 0.000 1.227 731 Y CB -0.412 38.118 38.460 0.116 0.000 1.012 731 Y HN 0.225 nan 8.280 nan 0.000 0.552 732 Y N 1.072 121.345 120.300 -0.046 0.000 2.184 732 Y HA -0.201 4.340 4.550 -0.014 0.000 0.290 732 Y C 1.918 177.762 175.900 -0.094 0.000 1.129 732 Y CA 1.702 59.714 58.100 -0.146 0.000 1.144 732 Y CB -0.377 38.040 38.460 -0.072 0.000 0.995 732 Y HN 0.010 nan 8.280 nan 0.000 0.513 733 D N 0.024 120.536 120.400 0.187 0.000 2.092 733 D HA -0.170 4.461 4.640 -0.014 0.000 0.193 733 D C 2.069 178.353 176.300 -0.026 0.000 0.994 733 D CA 1.549 55.598 54.000 0.082 0.000 0.828 733 D CB -0.207 40.636 40.800 0.071 0.000 0.963 733 D HN 0.391 nan 8.370 nan 0.000 0.450 734 R N 0.063 120.540 120.500 -0.038 0.000 2.236 734 R HA 0.127 4.459 4.340 -0.014 0.000 0.208 734 R C 0.543 176.820 176.300 -0.038 0.000 1.036 734 R CA 0.259 56.335 56.100 -0.040 0.000 1.001 734 R CB 0.238 30.513 30.300 -0.042 0.000 0.896 734 R HN 0.263 nan 8.270 nan 0.000 0.464 735 I N 1.823 122.349 120.570 -0.073 0.000 2.437 735 I HA 0.212 4.373 4.170 -0.014 0.000 0.279 735 I C -1.911 174.114 176.117 -0.154 0.000 1.028 735 I CA -2.322 58.941 61.300 -0.060 0.000 1.142 735 I CB 2.322 40.319 38.000 -0.004 0.000 1.266 735 I HN -0.295 nan 8.210 nan 0.000 0.461 736 P HA -0.171 nan 4.420 nan 0.000 0.215 736 P C 1.156 178.370 177.300 -0.144 0.000 1.153 736 P CA 1.411 64.422 63.100 -0.147 0.000 0.853 736 P CB 0.267 31.912 31.700 -0.092 0.000 0.788 737 E N -0.838 119.319 120.200 -0.073 0.000 2.153 737 E HA -0.156 4.186 4.350 -0.014 0.000 0.194 737 E C 1.978 178.502 176.600 -0.126 0.000 0.988 737 E CA 0.730 57.108 56.400 -0.037 0.000 0.811 737 E CB -0.561 29.189 29.700 0.083 0.000 0.746 737 E HN 0.264 nan 8.360 nan 0.000 0.466 738 L N 0.610 121.669 121.223 -0.272 0.000 2.095 738 L HA -0.100 4.232 4.340 -0.014 0.000 0.204 738 L C 2.699 179.291 176.870 -0.464 0.000 1.080 738 L CA 0.753 55.270 54.840 -0.540 0.000 0.759 738 L CB -0.054 41.525 42.059 -0.800 0.000 0.914 738 L HN 0.008 nan 8.230 nan 0.000 0.439 739 R N -0.318 119.875 120.500 -0.512 0.000 2.094 739 R HA -0.290 4.042 4.340 -0.014 0.000 0.239 739 R C 2.356 178.450 176.300 -0.344 0.000 1.137 739 R CA 2.355 58.038 56.100 -0.695 0.000 0.943 739 R CB -0.374 29.535 30.300 -0.652 0.000 0.850 739 R HN 0.468 nan 8.270 nan 0.000 0.433 740 Q N 0.379 120.043 119.800 -0.227 0.000 2.096 740 Q HA -0.203 4.129 4.340 -0.014 0.000 0.204 740 Q C 2.067 178.036 176.000 -0.052 0.000 0.982 740 Q CA 2.008 57.738 55.803 -0.121 0.000 0.850 740 Q CB -0.127 28.546 28.738 -0.108 0.000 0.901 740 Q HN 0.483 nan 8.270 nan 0.000 0.422 741 I N 0.578 121.118 120.570 -0.051 0.000 2.179 741 I HA -0.284 3.877 4.170 -0.014 0.000 0.242 741 I C 2.169 178.333 176.117 0.077 0.000 1.088 741 I CA 0.603 61.926 61.300 0.038 0.000 1.357 741 I CB -0.334 37.660 38.000 -0.010 0.000 1.051 741 I HN 0.291 nan 8.210 nan 0.000 0.409 742 I N 0.704 121.303 120.570 0.050 0.000 2.208 742 I HA -0.262 3.900 4.170 -0.014 0.000 0.245 742 I C 2.445 178.667 176.117 0.174 0.000 1.097 742 I CA 1.653 63.047 61.300 0.157 0.000 1.363 742 I CB -1.322 36.851 38.000 0.290 0.000 1.051 742 I HN 0.233 nan 8.210 nan 0.000 0.413 743 E N 0.466 120.745 120.200 0.132 0.000 2.274 743 E HA -0.143 4.199 4.350 -0.014 0.000 0.194 743 E C 2.225 178.909 176.600 0.140 0.000 0.996 743 E CA 0.689 57.167 56.400 0.129 0.000 0.840 743 E CB -0.149 29.598 29.700 0.078 0.000 0.772 743 E HN 0.514 nan 8.360 nan 0.000 0.491 744 Q N -0.531 119.365 119.800 0.160 0.000 2.187 744 Q HA 0.023 4.355 4.340 -0.014 0.000 0.199 744 Q C 2.062 178.312 176.000 0.417 0.000 0.957 744 Q CA 0.660 56.616 55.803 0.255 0.000 0.857 744 Q CB 0.079 29.001 28.738 0.307 0.000 0.929 744 Q HN 0.284 nan 8.270 nan 0.000 0.453 745 L N -0.135 121.296 121.223 0.347 0.000 2.056 745 L HA -0.139 4.193 4.340 -0.014 0.000 0.207 745 L C 2.298 179.360 176.870 0.320 0.000 1.078 745 L CA 0.897 55.937 54.840 0.333 0.000 0.749 745 L CB -0.358 41.804 42.059 0.172 0.000 0.901 745 L HN 0.118 nan 8.230 nan 0.000 0.433 746 S N -0.219 115.626 115.700 0.241 0.000 2.419 746 S HA -0.113 4.349 4.470 -0.014 0.000 0.233 746 S C 1.794 176.503 174.600 0.183 0.000 1.016 746 S CA 1.431 59.750 58.200 0.198 0.000 0.974 746 S CB -0.155 63.141 63.200 0.160 0.000 0.786 746 S HN 0.580 nan 8.310 nan 0.000 0.492 747 S N -0.088 115.729 115.700 0.195 0.000 2.582 747 S HA 0.490 4.952 4.470 -0.014 0.000 0.234 747 S C 1.195 175.901 174.600 0.178 0.000 0.961 747 S CA 0.260 58.556 58.200 0.160 0.000 0.953 747 S CB 0.296 63.575 63.200 0.132 0.000 0.800 747 S HN 0.642 nan 8.310 nan 0.000 0.471 748 G N 1.185 110.116 108.800 0.220 0.000 2.143 748 G HA2 -0.346 3.606 3.960 -0.014 0.000 0.248 748 G HA3 -0.346 3.606 3.960 -0.014 0.000 0.248 748 G C 0.243 175.264 174.900 0.202 0.000 0.991 748 G CA 0.235 45.450 45.100 0.192 0.000 0.689 748 G HN 0.561 nan 8.290 nan 0.000 0.522 749 F N 0.431 120.433 119.950 0.088 0.000 2.134 749 F HA 0.214 4.733 4.527 -0.014 0.000 0.299 749 F C 1.927 177.625 175.800 -0.170 0.000 1.097 749 F CA 1.734 59.691 58.000 -0.071 0.000 1.264 749 F CB -0.207 38.709 39.000 -0.140 0.000 1.001 749 F HN 0.153 nan 8.300 nan 0.000 0.479 750 F N -0.178 119.755 119.950 -0.028 0.000 2.765 750 F HA 0.170 4.689 4.527 -0.014 0.000 0.302 750 F C 0.897 176.739 175.800 0.069 0.000 1.111 750 F CA 0.476 58.417 58.000 -0.098 0.000 1.359 750 F CB -0.206 38.795 39.000 0.002 0.000 1.097 750 F HN -0.007 nan 8.300 nan 0.000 0.577 751 S N -1.831 113.998 115.700 0.215 0.000 2.359 751 S HA 0.345 4.807 4.470 -0.014 0.000 0.148 751 S C -2.446 172.177 174.600 0.038 0.000 1.610 751 S CA -1.083 57.177 58.200 0.100 0.000 1.274 751 S CB 0.933 64.142 63.200 0.014 0.000 1.380 751 S HN -0.158 nan 8.310 nan 0.000 0.380 752 P HA -0.073 nan 4.420 nan 0.000 0.213 752 P C 1.160 178.468 177.300 0.013 0.000 1.170 752 P CA 1.305 64.409 63.100 0.007 0.000 0.898 752 P CB 0.057 31.744 31.700 -0.022 0.000 0.787 753 K N -0.603 119.799 120.400 0.004 0.000 2.442 753 K HA -0.137 4.175 4.320 -0.014 0.000 0.199 753 K C 0.609 177.214 176.600 0.008 0.000 1.044 753 K CA 0.904 57.195 56.287 0.006 0.000 0.941 753 K CB -0.343 32.159 32.500 0.004 0.000 0.759 753 K HN 0.454 nan 8.250 nan 0.000 0.472 754 Q N -2.093 117.710 119.800 0.005 0.000 2.961 754 Q HA 0.217 4.549 4.340 -0.014 0.000 0.223 754 Q C -2.811 173.187 176.000 -0.003 0.000 0.859 754 Q CA -1.620 54.183 55.803 -0.000 0.000 0.771 754 Q CB 1.727 30.460 28.738 -0.008 0.000 1.389 754 Q HN -0.213 nan 8.270 nan 0.000 0.460 755 P HA -0.174 nan 4.420 nan 0.000 0.216 755 P C 0.800 178.138 177.300 0.063 0.000 1.153 755 P CA 1.295 64.428 63.100 0.056 0.000 0.844 755 P CB 0.174 31.912 31.700 0.062 0.000 0.787 756 D N 0.020 120.445 120.400 0.042 0.000 2.348 756 D HA -0.105 4.526 4.640 -0.014 0.000 0.216 756 D C 1.840 178.149 176.300 0.016 0.000 0.970 756 D CA 0.308 54.339 54.000 0.051 0.000 0.889 756 D CB -0.897 39.930 40.800 0.046 0.000 0.912 756 D HN 0.030 nan 8.370 nan 0.000 0.524 757 L N -0.125 121.050 121.223 -0.080 0.000 2.123 757 L HA -0.228 4.104 4.340 -0.014 0.000 0.217 757 L C 1.246 177.912 176.870 -0.339 0.000 1.081 757 L CA 1.619 56.308 54.840 -0.252 0.000 0.772 757 L CB -0.610 41.160 42.059 -0.482 0.000 0.890 757 L HN -0.068 nan 8.230 nan 0.000 0.437 758 F N -0.445 119.559 119.950 0.091 0.000 2.639 758 F HA 0.171 4.690 4.527 -0.013 0.000 0.300 758 F C 1.836 177.685 175.800 0.082 0.000 1.109 758 F CA 0.018 58.060 58.000 0.070 0.000 1.335 758 F CB -0.565 38.465 39.000 0.050 0.000 1.014 758 F HN 0.200 nan 8.300 nan 0.000 0.537 759 K N -0.805 119.717 120.400 0.204 0.000 2.439 759 K HA -0.090 4.222 4.320 -0.014 0.000 0.197 759 K C 0.906 177.609 176.600 0.172 0.000 1.041 759 K CA 1.312 57.704 56.287 0.175 0.000 0.970 759 K CB -0.203 32.380 32.500 0.137 0.000 0.773 759 K HN 0.098 nan 8.250 nan 0.000 0.479 760 D N 1.612 122.123 120.400 0.185 0.000 2.097 760 D HA -0.076 4.555 4.640 -0.014 0.000 0.195 760 D C 1.784 178.187 176.300 0.172 0.000 0.989 760 D CA 1.428 55.544 54.000 0.193 0.000 0.827 760 D CB 0.071 41.003 40.800 0.221 0.000 0.966 760 D HN 0.242 nan 8.370 nan 0.000 0.456 761 I N -0.326 120.340 120.570 0.160 0.000 2.286 761 I HA -0.170 3.992 4.170 -0.014 0.000 0.245 761 I C 2.172 178.343 176.117 0.089 0.000 1.104 761 I CA 0.438 61.803 61.300 0.108 0.000 1.397 761 I CB -0.187 37.866 38.000 0.088 0.000 1.072 761 I HN -0.041 nan 8.210 nan 0.000 0.417 762 V N 1.167 121.152 119.914 0.118 0.000 2.343 762 V HA -0.277 3.835 4.120 -0.014 0.000 0.247 762 V C 2.319 178.431 176.094 0.031 0.000 1.051 762 V CA 1.960 64.315 62.300 0.093 0.000 1.036 762 V CB -0.882 31.016 31.823 0.126 0.000 0.654 762 V HN 0.515 nan 8.190 nan 0.000 0.451 763 N N -0.290 118.461 118.700 0.084 0.000 2.223 763 N HA -0.177 4.555 4.740 -0.014 0.000 0.185 763 N C 1.886 177.426 175.510 0.050 0.000 1.016 763 N CA 1.600 54.713 53.050 0.104 0.000 0.863 763 N CB -0.061 38.574 38.487 0.247 0.000 0.983 763 N HN 0.435 nan 8.380 nan 0.000 0.429 764 M N 0.311 119.980 119.600 0.114 0.000 2.081 764 M HA -0.136 4.336 4.480 -0.014 0.000 0.261 764 M C 1.694 177.969 176.300 -0.042 0.000 1.075 764 M CA 0.966 56.352 55.300 0.143 0.000 1.133 764 M CB -0.461 32.237 32.600 0.164 0.000 1.330 764 M HN 0.016 nan 8.290 nan 0.000 0.414 765 L N 1.245 122.398 121.223 -0.117 0.000 2.013 765 L HA -0.261 4.070 4.340 -0.014 0.000 0.212 765 L C 2.566 179.171 176.870 -0.441 0.000 1.073 765 L CA 1.855 56.495 54.840 -0.333 0.000 0.753 765 L CB -1.311 40.553 42.059 -0.326 0.000 0.890 765 L HN 0.406 nan 8.230 nan 0.000 0.432 766 M N -1.918 117.473 119.600 -0.348 0.000 2.254 766 M HA -0.120 4.352 4.480 -0.014 0.000 0.265 766 M C 1.693 177.626 176.300 -0.611 0.000 1.066 766 M CA 1.511 56.528 55.300 -0.473 0.000 1.123 766 M CB -0.762 31.406 32.600 -0.720 0.000 1.388 766 M HN 0.363 nan 8.290 nan 0.000 0.425 767 H N -2.703 116.186 119.070 -0.301 0.000 3.457 767 H HA 0.233 4.781 4.556 -0.013 0.000 0.255 767 H C 0.211 175.193 175.328 -0.576 0.000 1.082 767 H CA 0.451 56.197 56.048 -0.504 0.000 1.189 767 H CB 0.289 29.583 29.762 -0.780 0.000 1.511 767 H HN 0.542 nan 8.280 nan 0.000 0.527 768 H N -0.211 118.918 119.070 0.098 0.000 2.637 768 H HA 0.133 4.681 4.556 -0.014 0.000 0.245 768 H C -0.466 174.882 175.328 0.033 0.000 1.190 768 H CA -0.329 55.767 56.048 0.078 0.000 0.934 768 H CB 1.050 30.866 29.762 0.090 0.000 1.950 768 H HN -0.048 nan 8.280 nan 0.000 0.614 769 D N 1.504 121.947 120.400 0.073 0.000 2.359 769 D HA 0.040 4.672 4.640 -0.014 0.000 0.250 769 D C 1.216 177.452 176.300 -0.107 0.000 1.264 769 D CA 0.080 54.087 54.000 0.011 0.000 0.911 769 D CB 0.577 41.376 40.800 -0.001 0.000 1.056 769 D HN 0.328 nan 8.370 nan 0.000 0.499 770 R N 2.375 122.715 120.500 -0.267 0.000 2.189 770 R HA -0.036 4.296 4.340 -0.014 0.000 0.218 770 R C 0.691 176.411 176.300 -0.966 0.000 1.074 770 R CA 0.927 56.631 56.100 -0.661 0.000 0.991 770 R CB 0.175 29.907 30.300 -0.946 0.000 0.883 770 R HN 0.337 nan 8.270 nan 0.000 0.457 771 F N 0.338 120.250 119.950 -0.064 0.000 2.698 771 F HA 0.312 4.831 4.527 -0.014 0.000 0.304 771 F C -0.164 175.517 175.800 -0.198 0.000 1.108 771 F CA -0.556 57.389 58.000 -0.091 0.000 1.263 771 F CB 0.417 39.417 39.000 -0.000 0.000 1.013 771 F HN -0.237 nan 8.300 nan 0.000 0.532 772 K N -0.177 120.023 120.400 -0.334 0.000 3.653 772 K HA -0.161 4.151 4.320 -0.014 0.000 0.275 772 K C 0.844 177.329 176.600 -0.190 0.000 0.962 772 K CA 0.097 56.048 56.287 -0.561 0.000 0.773 772 K CB -1.645 30.489 32.500 -0.610 0.000 1.463 772 K HN 0.210 nan 8.250 nan 0.000 0.450 773 V N 0.206 120.062 119.914 -0.097 0.000 2.323 773 V HA -0.214 3.898 4.120 -0.014 0.000 0.244 773 V C 1.952 178.155 176.094 0.182 0.000 1.041 773 V CA 1.808 64.118 62.300 0.017 0.000 1.025 773 V CB -0.412 31.397 31.823 -0.023 0.000 0.656 773 V HN 0.442 nan 8.190 nan 0.000 0.451 774 F N 1.045 121.000 119.950 0.008 0.000 2.250 774 F HA -0.127 4.391 4.527 -0.014 0.000 0.301 774 F C 2.390 177.946 175.800 -0.406 0.000 1.077 774 F CA 0.879 58.818 58.000 -0.101 0.000 1.348 774 F CB -1.474 37.485 39.000 -0.069 0.000 1.040 774 F HN 0.175 nan 8.300 nan 0.000 0.509 775 A N -0.864 121.785 122.820 -0.284 0.000 2.067 775 A HA -0.093 4.219 4.320 -0.014 0.000 0.217 775 A C 1.698 179.280 177.584 -0.004 0.000 1.156 775 A CA 1.459 53.266 52.037 -0.383 0.000 0.683 775 A CB -0.386 18.538 19.000 -0.127 0.000 0.808 775 A HN 0.160 nan 8.150 nan 0.000 0.455 776 D N -2.599 117.850 120.400 0.082 0.000 2.369 776 D HA 0.087 4.719 4.640 -0.014 0.000 0.211 776 D C 1.136 177.568 176.300 0.220 0.000 1.077 776 D CA -0.018 54.097 54.000 0.192 0.000 0.842 776 D CB -0.050 40.879 40.800 0.214 0.000 0.947 776 D HN 0.532 nan 8.370 nan 0.000 0.509 777 Y N 2.125 122.493 120.300 0.113 0.000 2.114 777 Y HA -0.193 4.349 4.550 -0.013 0.000 0.284 777 Y C 2.028 178.006 175.900 0.130 0.000 1.143 777 Y CA 1.781 59.964 58.100 0.139 0.000 1.135 777 Y CB 0.190 38.719 38.460 0.115 0.000 0.980 777 Y HN -0.124 nan 8.280 nan 0.000 0.499 778 E N 0.221 120.470 120.200 0.082 0.000 2.023 778 E HA -0.257 4.085 4.350 -0.014 0.000 0.196 778 E C 2.158 178.725 176.600 -0.054 0.000 1.003 778 E CA 1.705 58.099 56.400 -0.011 0.000 0.809 778 E CB -0.322 29.463 29.700 0.143 0.000 0.755 778 E HN 0.645 nan 8.360 nan 0.000 0.449 779 E N -0.189 120.051 120.200 0.066 0.000 2.160 779 E HA -0.206 4.135 4.350 -0.014 0.000 0.195 779 E C 1.946 178.558 176.600 0.021 0.000 0.991 779 E CA 0.859 57.323 56.400 0.106 0.000 0.810 779 E CB -0.136 29.710 29.700 0.244 0.000 0.742 779 E HN 0.254 nan 8.360 nan 0.000 0.466 780 Y N 0.808 120.927 120.300 -0.301 0.000 2.184 780 Y HA -0.176 4.366 4.550 -0.014 0.000 0.290 780 Y C 2.212 177.745 175.900 -0.611 0.000 1.129 780 Y CA 1.401 59.034 58.100 -0.779 0.000 1.144 780 Y CB -0.377 37.545 38.460 -0.896 0.000 0.995 780 Y HN -0.050 nan 8.280 nan 0.000 0.513 781 V N -0.865 118.681 119.914 -0.613 0.000 2.626 781 V HA -0.146 3.966 4.120 -0.014 0.000 0.252 781 V C 2.182 178.054 176.094 -0.369 0.000 1.067 781 V CA 2.040 63.997 62.300 -0.572 0.000 1.081 781 V CB -0.724 30.861 31.823 -0.397 0.000 0.686 781 V HN 0.242 nan 8.190 nan 0.000 0.468 782 K N -0.054 120.194 120.400 -0.254 0.000 1.991 782 K HA -0.159 4.153 4.320 -0.014 0.000 0.212 782 K C 2.343 178.857 176.600 -0.143 0.000 1.049 782 K CA 2.243 58.448 56.287 -0.137 0.000 0.932 782 K CB -1.170 31.296 32.500 -0.056 0.000 0.717 782 K HN 0.617 nan 8.250 nan 0.000 0.441 783 C N 1.182 120.388 119.300 -0.158 0.000 2.403 783 C HA -0.125 4.327 4.460 -0.014 0.000 0.277 783 C C 2.473 177.313 174.990 -0.250 0.000 1.248 783 C CA 0.941 59.898 59.018 -0.103 0.000 1.762 783 C CB -0.800 26.916 27.740 -0.040 0.000 2.014 783 C HN 0.466 nan 8.230 nan 0.000 0.486 784 Q N 0.104 119.616 119.800 -0.480 0.000 2.297 784 Q HA -0.112 4.220 4.340 -0.014 0.000 0.204 784 Q C 1.933 177.761 176.000 -0.287 0.000 0.962 784 Q CA 1.276 56.759 55.803 -0.533 0.000 0.879 784 Q CB -0.268 27.912 28.738 -0.930 0.000 0.947 784 Q HN 0.768 nan 8.270 nan 0.000 0.462 785 E N 0.169 120.254 120.200 -0.192 0.000 2.158 785 E HA -0.062 4.280 4.350 -0.014 0.000 0.191 785 E C 1.943 178.514 176.600 -0.050 0.000 0.982 785 E CA 0.266 56.608 56.400 -0.096 0.000 0.823 785 E CB 0.087 29.746 29.700 -0.069 0.000 0.766 785 E HN 0.214 nan 8.360 nan 0.000 0.468 786 R N 0.616 121.100 120.500 -0.026 0.000 2.148 786 R HA -0.089 4.242 4.340 -0.014 0.000 0.227 786 R C 2.598 178.950 176.300 0.087 0.000 1.103 786 R CA 1.206 57.360 56.100 0.090 0.000 0.983 786 R CB -0.288 30.137 30.300 0.208 0.000 0.874 786 R HN 0.190 nan 8.270 nan 0.000 0.451 787 V N -1.499 118.290 119.914 -0.208 0.000 2.535 787 V HA -0.068 4.044 4.120 -0.014 0.000 0.246 787 V C 1.866 177.981 176.094 0.035 0.000 1.045 787 V CA 1.654 63.753 62.300 -0.335 0.000 1.058 787 V CB 0.106 31.455 31.823 -0.789 0.000 0.689 787 V HN 0.068 nan 8.190 nan 0.000 0.461 788 S N 1.024 116.698 115.700 -0.043 0.000 2.400 788 S HA -0.054 4.407 4.470 -0.014 0.000 0.232 788 S C 2.233 176.879 174.600 0.077 0.000 1.025 788 S CA 1.661 59.856 58.200 -0.007 0.000 0.993 788 S CB -0.634 62.526 63.200 -0.065 0.000 0.808 788 S HN 0.969 nan 8.310 nan 0.000 0.478 789 A N 1.098 123.973 122.820 0.091 0.000 1.902 789 A HA 0.021 4.333 4.320 -0.014 0.000 0.217 789 A C 2.091 179.780 177.584 0.176 0.000 1.181 789 A CA 1.030 53.140 52.037 0.121 0.000 0.623 789 A CB -0.589 18.479 19.000 0.114 0.000 0.818 789 A HN 0.472 nan 8.150 nan 0.000 0.443 790 L N -2.219 119.175 121.223 0.285 0.000 2.109 790 L HA -0.110 4.222 4.340 -0.014 0.000 0.207 790 L C 2.482 179.554 176.870 0.338 0.000 1.086 790 L CA 1.435 56.526 54.840 0.419 0.000 0.760 790 L CB -0.374 42.096 42.059 0.685 0.000 0.910 790 L HN 0.572 nan 8.230 nan 0.000 0.437 791 Y N 1.799 122.072 120.300 -0.046 0.000 2.165 791 Y HA -0.319 4.223 4.550 -0.012 0.000 0.286 791 Y C 2.418 178.149 175.900 -0.283 0.000 1.155 791 Y CA 2.192 59.924 58.100 -0.614 0.000 1.164 791 Y CB -0.143 37.928 38.460 -0.648 0.000 0.978 791 Y HN 0.218 nan 8.280 nan 0.000 0.513 792 K N -0.311 120.055 120.400 -0.056 0.000 2.555 792 K HA -0.079 4.233 4.320 -0.014 0.000 0.193 792 K C 0.202 176.771 176.600 -0.051 0.000 1.032 792 K CA 0.901 57.163 56.287 -0.041 0.000 1.004 792 K CB -0.235 32.333 32.500 0.113 0.000 0.804 792 K HN 0.077 nan 8.250 nan 0.000 0.496 793 N N 1.482 120.165 118.700 -0.029 0.000 2.976 793 N HA 0.173 4.905 4.740 -0.014 0.000 0.255 793 N C -2.007 173.494 175.510 -0.016 0.000 1.312 793 N CA -2.616 50.431 53.050 -0.005 0.000 0.897 793 N CB 1.117 39.636 38.487 0.053 0.000 1.184 793 N HN -0.122 nan 8.380 nan 0.000 0.497 794 P HA -0.245 nan 4.420 nan 0.000 0.218 794 P C 0.972 178.274 177.300 0.003 0.000 1.152 794 P CA 1.383 64.400 63.100 -0.137 0.000 0.857 794 P CB 0.346 31.930 31.700 -0.195 0.000 0.787 795 R N -0.496 120.015 120.500 0.018 0.000 2.246 795 R HA 0.039 4.371 4.340 -0.014 0.000 0.199 795 R C 1.858 178.201 176.300 0.071 0.000 0.984 795 R CA 0.826 56.949 56.100 0.038 0.000 1.015 795 R CB -0.474 29.838 30.300 0.020 0.000 0.930 795 R HN -0.017 nan 8.270 nan 0.000 0.475 796 E N -0.117 120.139 120.200 0.094 0.000 2.250 796 E HA -0.108 4.234 4.350 -0.014 0.000 0.192 796 E C 1.161 177.858 176.600 0.161 0.000 0.986 796 E CA 0.493 56.956 56.400 0.105 0.000 0.849 796 E CB -0.232 29.525 29.700 0.096 0.000 0.797 796 E HN 0.370 nan 8.360 nan 0.000 0.482 797 W N 2.238 123.545 121.300 0.011 0.000 2.333 797 W HA -0.174 4.477 4.660 -0.015 0.000 0.316 797 W C 2.297 178.829 176.519 0.022 0.000 1.215 797 W CA 2.379 59.746 57.345 0.038 0.000 1.278 797 W CB -0.598 28.868 29.460 0.010 0.000 1.154 797 W HN -0.006 nan 8.180 nan 0.000 0.486 798 T N -0.083 114.606 114.554 0.224 0.000 2.881 798 T HA -0.157 4.185 4.350 -0.014 0.000 0.270 798 T C 1.712 176.441 174.700 0.048 0.000 1.068 798 T CA 1.369 63.534 62.100 0.108 0.000 1.131 798 T CB -0.205 68.699 68.868 0.061 0.000 0.871 798 T HN 0.164 nan 8.240 nan 0.000 0.479 799 R N 0.271 120.801 120.500 0.051 0.000 2.093 799 R HA 0.219 4.550 4.340 -0.014 0.000 0.224 799 R C 2.475 178.775 176.300 -0.000 0.000 1.101 799 R CA 0.823 56.945 56.100 0.036 0.000 0.979 799 R CB -0.287 30.038 30.300 0.042 0.000 0.877 799 R HN 0.336 nan 8.270 nan 0.000 0.441 800 M N 0.537 120.109 119.600 -0.046 0.000 2.117 800 M HA -0.152 4.319 4.480 -0.014 0.000 0.262 800 M C 1.955 178.183 176.300 -0.120 0.000 1.065 800 M CA 1.432 56.662 55.300 -0.116 0.000 1.114 800 M CB 0.140 32.609 32.600 -0.218 0.000 1.361 800 M HN -0.024 nan 8.290 nan 0.000 0.408 801 V N 0.671 120.509 119.914 -0.127 0.000 2.332 801 V HA -0.304 3.808 4.120 -0.014 0.000 0.248 801 V C 2.141 178.224 176.094 -0.018 0.000 1.055 801 V CA 1.884 64.133 62.300 -0.085 0.000 1.038 801 V CB -0.626 31.177 31.823 -0.033 0.000 0.651 801 V HN 0.507 nan 8.190 nan 0.000 0.450 802 I N -0.739 119.839 120.570 0.013 0.000 2.614 802 I HA -0.160 4.002 4.170 -0.014 0.000 0.258 802 I C 2.563 178.720 176.117 0.067 0.000 1.189 802 I CA 1.198 62.538 61.300 0.068 0.000 1.462 802 I CB -0.307 37.771 38.000 0.130 0.000 1.092 802 I HN 0.208 nan 8.210 nan 0.000 0.442 803 R N 0.188 120.708 120.500 0.033 0.000 2.200 803 R HA 0.020 4.352 4.340 -0.014 0.000 0.208 803 R C 1.813 178.137 176.300 0.041 0.000 1.033 803 R CA 0.543 56.662 56.100 0.033 0.000 1.000 803 R CB -0.174 30.132 30.300 0.010 0.000 0.906 803 R HN 0.486 nan 8.270 nan 0.000 0.462 804 N N 0.901 119.619 118.700 0.031 0.000 2.148 804 N HA -0.030 4.702 4.740 -0.014 0.000 0.186 804 N C 1.955 177.511 175.510 0.078 0.000 1.031 804 N CA 0.947 54.033 53.050 0.060 0.000 0.848 804 N CB 0.048 38.546 38.487 0.018 0.000 1.005 804 N HN 0.081 nan 8.380 nan 0.000 0.427 805 I N 1.692 122.298 120.570 0.060 0.000 2.208 805 I HA -0.235 3.927 4.170 -0.014 0.000 0.245 805 I C 2.253 178.411 176.117 0.068 0.000 1.097 805 I CA 0.935 62.275 61.300 0.066 0.000 1.363 805 I CB -0.274 37.758 38.000 0.053 0.000 1.051 805 I HN 0.092 nan 8.210 nan 0.000 0.413 806 A N -1.100 121.761 122.820 0.068 0.000 2.209 806 A HA -0.099 4.213 4.320 -0.014 0.000 0.212 806 A C 2.029 179.644 177.584 0.053 0.000 1.158 806 A CA 1.495 53.566 52.037 0.056 0.000 0.742 806 A CB -0.455 18.585 19.000 0.067 0.000 0.790 806 A HN 0.349 nan 8.150 nan 0.000 0.472 807 T N -1.258 113.340 114.554 0.073 0.000 3.182 807 T HA 0.193 4.535 4.350 -0.014 0.000 0.277 807 T C 1.183 175.957 174.700 0.123 0.000 1.013 807 T CA 0.548 62.694 62.100 0.075 0.000 0.900 807 T CB -0.253 68.659 68.868 0.075 0.000 1.098 807 T HN 0.333 nan 8.240 nan 0.000 0.543 808 S N 0.147 115.934 115.700 0.145 0.000 2.489 808 S HA 0.070 4.531 4.470 -0.014 0.000 0.228 808 S C 2.318 177.001 174.600 0.138 0.000 0.995 808 S CA 0.680 59.021 58.200 0.235 0.000 0.934 808 S CB -0.213 63.108 63.200 0.201 0.000 0.771 808 S HN 0.672 nan 8.310 nan 0.000 0.522 809 G N 2.451 111.272 108.800 0.035 0.000 2.556 809 G HA2 -0.326 3.626 3.960 -0.014 0.000 0.220 809 G HA3 -0.326 3.626 3.960 -0.014 0.000 0.220 809 G C 1.353 176.182 174.900 -0.118 0.000 1.156 809 G CA 1.033 46.125 45.100 -0.013 0.000 0.766 809 G HN 0.409 nan 8.290 nan 0.000 0.583 810 K N -0.281 119.926 120.400 -0.321 0.000 2.218 810 K HA -0.089 4.223 4.320 -0.014 0.000 0.205 810 K C 1.096 177.376 176.600 -0.534 0.000 1.046 810 K CA 0.755 56.720 56.287 -0.536 0.000 0.933 810 K CB -0.243 31.700 32.500 -0.928 0.000 0.728 810 K HN 0.384 nan 8.250 nan 0.000 0.454 811 F N 0.753 120.729 119.950 0.043 0.000 2.777 811 F HA 0.144 4.662 4.527 -0.014 0.000 0.291 811 F C 0.782 176.623 175.800 0.068 0.000 1.187 811 F CA -0.333 57.699 58.000 0.053 0.000 1.406 811 F CB -0.055 38.974 39.000 0.049 0.000 0.982 811 F HN -0.185 nan 8.300 nan 0.000 0.509 812 S N -0.326 115.453 115.700 0.133 0.000 2.578 812 S HA 0.249 4.711 4.470 -0.014 0.000 0.283 812 S C 1.289 175.967 174.600 0.131 0.000 1.195 812 S CA -0.239 58.038 58.200 0.129 0.000 1.050 812 S CB 1.097 64.343 63.200 0.076 0.000 1.012 812 S HN 0.256 nan 8.310 nan 0.000 0.511 813 S N 2.666 118.463 115.700 0.162 0.000 2.555 813 S HA -0.029 4.433 4.470 -0.014 0.000 0.230 813 S C 0.737 175.372 174.600 0.059 0.000 0.978 813 S CA 0.440 58.744 58.200 0.173 0.000 0.934 813 S CB -0.328 63.045 63.200 0.289 0.000 0.766 813 S HN 0.777 nan 8.310 nan 0.000 0.533 814 D N 1.746 122.174 120.400 0.046 0.000 2.162 814 D HA -0.026 4.606 4.640 -0.014 0.000 0.203 814 D C 2.088 178.388 176.300 -0.000 0.000 0.967 814 D CA 0.564 54.572 54.000 0.014 0.000 0.840 814 D CB -0.251 40.557 40.800 0.013 0.000 0.972 814 D HN 0.259 nan 8.370 nan 0.000 0.482 815 R N 0.999 121.501 120.500 0.004 0.000 2.062 815 R HA -0.067 4.265 4.340 -0.014 0.000 0.229 815 R C 1.794 178.082 176.300 -0.019 0.000 1.128 815 R CA 1.320 57.410 56.100 -0.016 0.000 0.960 815 R CB -0.775 29.506 30.300 -0.031 0.000 0.855 815 R HN 0.092 nan 8.270 nan 0.000 0.432 816 T N 2.081 116.641 114.554 0.009 0.000 2.684 816 T HA -0.127 4.215 4.350 -0.014 0.000 0.267 816 T C 1.896 176.590 174.700 -0.010 0.000 1.036 816 T CA 1.318 63.436 62.100 0.030 0.000 1.148 816 T CB -0.097 68.844 68.868 0.122 0.000 0.863 816 T HN 0.090 nan 8.240 nan 0.000 0.436 817 I N 1.505 121.994 120.570 -0.135 0.000 2.353 817 I HA 0.043 4.205 4.170 -0.014 0.000 0.248 817 I C 2.864 178.945 176.117 -0.060 0.000 1.119 817 I CA 0.558 61.745 61.300 -0.188 0.000 1.417 817 I CB -1.574 36.292 38.000 -0.224 0.000 1.078 817 I HN 0.194 nan 8.210 nan 0.000 0.421 818 A N -0.177 122.624 122.820 -0.033 0.000 2.019 818 A HA -0.219 4.093 4.320 -0.014 0.000 0.219 818 A C 2.229 179.785 177.584 -0.047 0.000 1.164 818 A CA 1.341 53.368 52.037 -0.015 0.000 0.644 818 A CB -0.447 18.546 19.000 -0.011 0.000 0.805 818 A HN 0.500 nan 8.150 nan 0.000 0.449 819 Q N -2.028 117.725 119.800 -0.079 0.000 2.163 819 Q HA -0.093 4.239 4.340 -0.014 0.000 0.198 819 Q C 1.785 177.643 176.000 -0.238 0.000 0.954 819 Q CA 1.176 56.896 55.803 -0.138 0.000 0.851 819 Q CB -0.198 28.446 28.738 -0.156 0.000 0.928 819 Q HN 0.816 nan 8.270 nan 0.000 0.459 820 Y N 0.649 120.677 120.300 -0.454 0.000 2.165 820 Y HA -0.305 4.237 4.550 -0.014 0.000 0.286 820 Y C 2.419 177.830 175.900 -0.815 0.000 1.155 820 Y CA 1.263 58.855 58.100 -0.846 0.000 1.164 820 Y CB -0.561 37.024 38.460 -1.457 0.000 0.978 820 Y HN 0.165 nan 8.280 nan 0.000 0.513 821 A N 0.507 123.194 122.820 -0.223 0.000 1.859 821 A HA -0.280 4.032 4.320 -0.014 0.000 0.217 821 A C 2.285 179.918 177.584 0.082 0.000 1.198 821 A CA 2.358 54.486 52.037 0.151 0.000 0.629 821 A CB -0.745 18.357 19.000 0.169 0.000 0.830 821 A HN 0.443 nan 8.150 nan 0.000 0.446 822 R N -0.626 119.875 120.500 0.002 0.000 2.075 822 R HA -0.087 4.244 4.340 -0.014 0.000 0.232 822 R C 1.629 177.915 176.300 -0.024 0.000 1.126 822 R CA 1.636 57.735 56.100 -0.000 0.000 0.963 822 R CB -0.204 30.085 30.300 -0.018 0.000 0.858 822 R HN 0.723 nan 8.270 nan 0.000 0.435 823 E N -0.911 119.232 120.200 -0.095 0.000 2.511 823 E HA 0.154 4.496 4.350 -0.014 0.000 0.209 823 E C 1.282 177.819 176.600 -0.106 0.000 0.986 823 E CA 0.119 56.464 56.400 -0.092 0.000 0.974 823 E CB 0.738 30.363 29.700 -0.125 0.000 1.030 823 E HN 0.292 nan 8.360 nan 0.000 0.490 824 I N -1.060 119.413 120.570 -0.162 0.000 4.197 824 I HA 0.078 4.240 4.170 -0.014 0.000 0.307 824 I C 1.217 177.411 176.117 0.129 0.000 1.236 824 I CA 0.065 61.284 61.300 -0.135 0.000 1.321 824 I CB 0.349 38.132 38.000 -0.361 0.000 1.309 824 I HN 0.133 nan 8.210 nan 0.000 0.450 825 W N 1.349 122.740 121.300 0.152 0.000 2.683 825 W HA 0.375 5.027 4.660 -0.014 0.000 0.267 825 W C 1.515 178.091 176.519 0.094 0.000 1.243 825 W CA 0.889 58.319 57.345 0.142 0.000 1.380 825 W CB -0.561 28.969 29.460 0.116 0.000 1.063 825 W HN 0.280 nan 8.180 nan 0.000 0.599 826 G N 0.930 109.883 108.800 0.254 0.000 2.165 826 G HA2 -0.146 3.805 3.960 -0.014 0.000 0.226 826 G HA3 -0.146 3.805 3.960 -0.014 0.000 0.226 826 G C -0.370 174.617 174.900 0.146 0.000 1.035 826 G CA 0.063 45.259 45.100 0.160 0.000 0.744 826 G HN 0.128 nan 8.290 nan 0.000 0.501 827 V N -3.102 116.916 119.914 0.174 0.000 2.919 827 V HA 0.891 5.003 4.120 -0.014 0.000 0.316 827 V C -0.139 176.021 176.094 0.111 0.000 1.077 827 V CA -1.721 60.660 62.300 0.136 0.000 0.977 827 V CB 2.189 34.103 31.823 0.153 0.000 1.039 827 V HN 0.121 nan 8.190 nan 0.000 0.441 828 E N 3.458 123.707 120.200 0.082 0.000 2.156 828 E HA 0.480 4.822 4.350 -0.014 0.000 0.279 828 E C -2.344 174.297 176.600 0.068 0.000 0.965 828 E CA -1.822 54.618 56.400 0.066 0.000 0.789 828 E CB 1.907 31.638 29.700 0.052 0.000 1.098 828 E HN 0.670 nan 8.360 nan 0.000 0.397 829 P HA 0.054 nan 4.420 nan 0.000 0.272 829 P C -0.289 177.041 177.300 0.050 0.000 1.248 829 P CA -0.215 62.920 63.100 0.058 0.000 0.799 829 P CB 0.855 32.584 31.700 0.049 0.000 0.997 830 S N -1.114 114.615 115.700 0.048 0.000 2.587 830 S HA 0.459 4.921 4.470 -0.014 0.000 0.269 830 S C -0.126 174.497 174.600 0.039 0.000 1.154 830 S CA -0.714 57.513 58.200 0.044 0.000 0.824 830 S CB 1.221 64.452 63.200 0.052 0.000 1.118 830 S HN 0.354 nan 8.310 nan 0.000 0.462 831 R N 0.864 121.384 120.500 0.033 0.000 2.541 831 R HA 0.229 4.561 4.340 -0.014 0.000 0.332 831 R C -0.471 175.840 176.300 0.019 0.000 0.951 831 R CA -0.011 56.107 56.100 0.030 0.000 1.136 831 R CB 0.286 30.605 30.300 0.033 0.000 1.449 831 R HN 0.703 nan 8.270 nan 0.000 0.531 832 Q N 2.893 122.704 119.800 0.017 0.000 2.262 832 Q HA 0.034 4.366 4.340 -0.014 0.000 0.272 832 Q C 0.324 176.320 176.000 -0.007 0.000 1.076 832 Q CA 0.218 56.026 55.803 0.007 0.000 0.905 832 Q CB 0.604 29.350 28.738 0.014 0.000 1.182 832 Q HN -0.039 nan 8.270 nan 0.000 0.390 833 R N 2.692 123.181 120.500 -0.019 0.000 2.537 833 R HA 0.117 4.449 4.340 -0.014 0.000 0.280 833 R C -0.666 175.602 176.300 -0.054 0.000 1.058 833 R CA -0.493 55.584 56.100 -0.037 0.000 1.057 833 R CB 0.156 30.430 30.300 -0.044 0.000 0.973 833 R HN 0.448 nan 8.270 nan 0.000 0.438 834 L N 4.385 125.560 121.223 -0.079 0.000 2.461 834 L HA 0.228 4.560 4.340 -0.014 0.000 0.272 834 L C -1.978 174.835 176.870 -0.096 0.000 1.197 834 L CA -1.497 53.265 54.840 -0.130 0.000 0.836 834 L CB 0.129 42.080 42.059 -0.180 0.000 1.105 834 L HN 0.601 nan 8.230 nan 0.000 0.477 835 P HA -0.001 nan 4.420 nan 0.000 0.263 835 P C -0.928 176.345 177.300 -0.046 0.000 1.175 835 P CA 0.119 63.185 63.100 -0.055 0.000 0.761 835 P CB 0.327 32.001 31.700 -0.044 0.000 0.794 836 A N 7.465 130.266 122.820 -0.031 0.000 2.622 836 A HA -0.059 4.252 4.320 -0.014 0.000 0.235 836 A C -0.478 177.098 177.584 -0.013 0.000 1.013 836 A CA -0.307 51.718 52.037 -0.021 0.000 0.765 836 A CB -1.010 17.982 19.000 -0.013 0.000 0.921 836 A HN 0.537 nan 8.150 nan 0.000 0.506 837 P HA -0.196 nan 4.420 nan 0.000 0.218 837 P C 0.199 177.502 177.300 0.006 0.000 1.147 837 P CA 1.028 64.132 63.100 0.007 0.000 0.827 837 P CB -0.386 31.328 31.700 0.025 0.000 0.778 838 D N 1.085 121.488 120.400 0.005 0.000 2.730 838 D HA -0.129 4.503 4.640 -0.014 0.000 0.225 838 D C 1.443 177.744 176.300 0.002 0.000 1.107 838 D CA 0.749 54.751 54.000 0.004 0.000 0.837 838 D CB 0.558 41.360 40.800 0.004 0.000 1.171 838 D HN 0.164 nan 8.370 nan 0.000 0.498 839 E N 3.295 123.496 120.200 0.001 0.000 2.629 839 E HA -0.359 3.983 4.350 -0.014 0.000 0.221 839 E C -0.065 176.534 176.600 -0.002 0.000 0.841 839 E CA 2.445 58.844 56.400 -0.002 0.000 1.053 839 E CB -0.186 29.513 29.700 -0.002 0.000 1.137 839 E HN 0.800 nan 8.360 nan 0.000 0.513 840 K N -0.042 120.357 120.400 -0.002 0.000 5.423 840 K HA -0.183 4.129 4.320 -0.014 0.000 0.410 840 K C -0.243 176.355 176.600 -0.003 0.000 0.929 840 K CA 0.944 57.230 56.287 -0.001 0.000 1.129 840 K CB -1.352 31.150 32.500 0.003 0.000 1.934 840 K HN 0.286 nan 8.250 nan 0.000 0.348 841 I N 4.527 125.094 120.570 -0.006 0.000 2.325 841 I HA 0.334 4.495 4.170 -0.014 0.000 0.291 841 I C -0.946 175.168 176.117 -0.004 0.000 1.019 841 I CA -2.142 59.153 61.300 -0.008 0.000 1.302 841 I CB 0.418 38.410 38.000 -0.012 0.000 1.401 841 I HN 0.906 nan 8.210 nan 0.000 0.485 842 P HA 0.000 nan 4.420 nan 0.000 0.216 842 P CA 0.000 63.101 63.100 0.002 0.000 0.800 842 P CB 0.000 31.705 31.700 0.008 0.000 0.726