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 7gpb_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 YPNXXXXEGK 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 SRQRLPAP 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 0.000 176.295 176.300 -0.008 0.000 0.893 10 R CA 0.000 56.096 56.100 -0.008 0.000 0.921 10 R CB 0.000 30.296 30.300 -0.007 0.000 0.687 11 K N 1.300 121.696 120.400 -0.007 0.000 2.360 11 K HA 0.000 4.321 4.320 0.002 0.000 0.201 11 K C 1.096 177.693 176.600 -0.006 0.000 1.046 11 K CA 0.748 57.031 56.287 -0.006 0.000 0.945 11 K CB 0.189 32.686 32.500 -0.005 0.000 0.750 11 K HN 0.217 nan 8.250 nan 0.000 0.464 12 Q N 0.158 119.954 119.800 -0.006 0.000 2.515 12 Q HA 0.025 4.366 4.340 0.002 0.000 0.212 12 Q C 0.108 176.105 176.000 -0.006 0.000 0.970 12 Q CA 0.513 56.312 55.803 -0.006 0.000 0.941 12 Q CB 0.193 28.928 28.738 -0.006 0.000 0.998 12 Q HN 0.281 nan 8.270 nan 0.000 0.518 13 I N 0.585 121.151 120.570 -0.007 0.000 2.697 13 I HA 0.136 4.307 4.170 0.002 0.000 0.279 13 I C -0.306 175.806 176.117 -0.008 0.000 1.171 13 I CA -0.277 61.019 61.300 -0.007 0.000 1.135 13 I CB 1.258 39.253 38.000 -0.008 0.000 1.445 13 I HN -0.196 nan 8.210 nan 0.000 0.541 14 S N 2.368 118.064 115.700 -0.007 0.000 2.607 14 S HA 0.430 4.901 4.470 0.002 0.000 0.303 14 S C 1.173 175.770 174.600 -0.006 0.000 1.086 14 S CA -0.685 57.511 58.200 -0.007 0.000 0.995 14 S CB 1.836 65.033 63.200 -0.006 0.000 1.084 14 S HN 0.260 nan 8.310 nan 0.000 0.507 15 V N 5.134 125.043 119.914 -0.008 0.000 2.720 15 V HA -0.124 3.997 4.120 0.002 0.000 0.256 15 V C 2.665 178.757 176.094 -0.003 0.000 1.082 15 V CA 1.936 64.233 62.300 -0.005 0.000 1.101 15 V CB -1.426 30.391 31.823 -0.010 0.000 0.693 15 V HN 0.883 nan 8.190 nan 0.000 0.479 16 R N 2.105 122.604 120.500 -0.002 0.000 2.103 16 R HA -0.166 4.176 4.340 0.002 0.000 0.234 16 R C 2.229 178.531 176.300 0.003 0.000 1.132 16 R CA 2.444 58.544 56.100 0.001 0.000 0.925 16 R CB -1.244 29.056 30.300 0.000 0.000 0.842 16 R HN 0.433 nan 8.270 nan 0.000 0.430 17 G N 1.110 109.912 108.800 0.002 0.000 2.679 17 G HA2 0.010 3.971 3.960 0.002 0.000 0.212 17 G HA3 0.010 3.971 3.960 0.002 0.000 0.212 17 G C 0.745 175.648 174.900 0.006 0.000 1.137 17 G CA -0.078 45.025 45.100 0.005 0.000 0.787 17 G HN 0.197 nan 8.290 nan 0.000 0.534 18 L N 0.931 122.155 121.223 0.001 0.000 2.862 18 L HA 0.619 4.961 4.340 0.002 0.000 0.240 18 L C 0.795 177.658 176.870 -0.011 0.000 1.283 18 L CA -0.768 54.069 54.840 -0.005 0.000 1.117 18 L CB -1.641 40.410 42.059 -0.013 0.000 1.444 18 L HN 0.214 nan 8.230 nan 0.000 0.456 19 A N -1.505 121.323 122.820 0.013 0.000 2.581 19 A HA 0.827 5.148 4.320 0.002 0.000 0.290 19 A C 0.542 178.169 177.584 0.072 0.000 1.119 19 A CA 0.189 52.252 52.037 0.044 0.000 0.670 19 A CB 1.039 20.072 19.000 0.056 0.000 1.280 19 A HN 0.118 nan 8.150 nan 0.000 0.425 20 G N -1.221 107.650 108.800 0.118 0.000 3.430 20 G HA2 0.527 4.488 3.960 0.002 0.000 0.222 20 G HA3 0.527 4.488 3.960 0.002 0.000 0.222 20 G C 0.904 175.861 174.900 0.095 0.000 1.102 20 G CA 1.300 46.455 45.100 0.092 0.000 0.927 20 G HN 2.053 nan 8.290 nan 0.000 0.597 21 V N 0.444 120.449 119.914 0.151 0.000 0.691 21 V HA -0.291 3.830 4.120 0.002 0.000 0.092 21 V C 0.537 176.638 176.094 0.012 0.000 0.777 21 V CA 2.215 64.567 62.300 0.087 0.000 3.098 21 V CB -0.385 31.480 31.823 0.071 0.000 0.187 21 V HN 0.366 nan 8.190 nan 0.000 0.080 22 E N 2.978 123.169 120.200 -0.014 0.000 1.909 22 E HA 0.179 4.531 4.350 0.002 0.000 0.253 22 E C -0.117 176.481 176.600 -0.004 0.000 1.268 22 E CA 0.617 57.001 56.400 -0.027 0.000 0.999 22 E CB -0.981 28.702 29.700 -0.028 0.000 1.072 22 E HN 0.552 nan 8.360 nan 0.000 0.428 23 N N 2.642 121.344 118.700 0.003 0.000 2.752 23 N HA 0.005 4.746 4.740 0.002 0.000 0.268 23 N C 0.679 176.204 175.510 0.025 0.000 1.190 23 N CA -0.188 52.873 53.050 0.020 0.000 0.897 23 N CB 0.947 39.456 38.487 0.036 0.000 1.515 23 N HN -0.061 nan 8.380 nan 0.000 0.567 24 V N 2.467 122.392 119.914 0.018 0.000 2.215 24 V HA -0.272 3.849 4.120 0.002 0.000 0.249 24 V C 2.182 178.292 176.094 0.026 0.000 1.054 24 V CA 2.552 64.863 62.300 0.019 0.000 1.012 24 V CB -0.755 31.079 31.823 0.018 0.000 0.639 24 V HN 0.716 nan 8.190 nan 0.000 0.448 25 T N -0.953 113.617 114.554 0.026 0.000 2.759 25 T HA -0.177 4.175 4.350 0.002 0.000 0.269 25 T C 1.904 176.632 174.700 0.046 0.000 1.042 25 T CA 1.440 63.556 62.100 0.028 0.000 1.140 25 T CB -0.250 68.631 68.868 0.022 0.000 0.864 25 T HN 0.452 nan 8.240 nan 0.000 0.455 26 E N 0.974 121.208 120.200 0.057 0.000 2.012 26 E HA -0.077 4.274 4.350 0.002 0.000 0.197 26 E C 2.352 179.023 176.600 0.117 0.000 1.007 26 E CA 1.059 57.509 56.400 0.083 0.000 0.816 26 E CB -0.624 29.133 29.700 0.094 0.000 0.762 26 E HN 0.441 nan 8.360 nan 0.000 0.451 27 L N 0.999 122.298 121.223 0.126 0.000 2.081 27 L HA -0.239 4.102 4.340 0.002 0.000 0.212 27 L C 2.480 179.448 176.870 0.163 0.000 1.080 27 L CA 1.529 56.468 54.840 0.165 0.000 0.754 27 L CB -0.417 41.707 42.059 0.108 0.000 0.893 27 L HN 0.057 nan 8.230 nan 0.000 0.433 28 K N -0.138 120.316 120.400 0.090 0.000 2.148 28 K HA -0.198 4.123 4.320 0.002 0.000 0.204 28 K C 2.185 178.866 176.600 0.135 0.000 1.050 28 K CA 1.123 57.448 56.287 0.064 0.000 0.942 28 K CB -0.108 32.388 32.500 -0.008 0.000 0.724 28 K HN 0.211 nan 8.250 nan 0.000 0.446 29 K N 0.887 121.353 120.400 0.109 0.000 2.097 29 K HA -0.091 4.230 4.320 0.002 0.000 0.205 29 K C 1.657 178.329 176.600 0.121 0.000 1.050 29 K CA 1.194 57.537 56.287 0.092 0.000 0.938 29 K CB 0.130 32.668 32.500 0.064 0.000 0.718 29 K HN 0.042 nan 8.250 nan 0.000 0.442 30 N N 0.120 118.926 118.700 0.177 0.000 2.270 30 N HA -0.139 4.602 4.740 0.002 0.000 0.181 30 N C 1.401 177.103 175.510 0.320 0.000 1.016 30 N CA 0.784 53.960 53.050 0.210 0.000 0.870 30 N CB -0.278 38.383 38.487 0.290 0.000 0.979 30 N HN 0.139 nan 8.380 nan 0.000 0.431 31 F N 2.077 122.134 119.950 0.178 0.000 2.102 31 F HA -0.029 4.500 4.527 0.002 0.000 0.298 31 F C 1.855 177.739 175.800 0.141 0.000 1.105 31 F CA 1.223 59.330 58.000 0.179 0.000 1.239 31 F CB -0.272 38.804 39.000 0.127 0.000 0.991 31 F HN 0.006 nan 8.300 nan 0.000 0.474 32 N N 0.531 119.440 118.700 0.350 0.000 2.289 32 N HA -0.139 4.602 4.740 0.002 0.000 0.184 32 N C 1.898 177.411 175.510 0.004 0.000 1.016 32 N CA 1.010 54.195 53.050 0.226 0.000 0.872 32 N CB -0.225 38.358 38.487 0.160 0.000 0.973 32 N HN 0.436 nan 8.380 nan 0.000 0.433 33 R N 0.148 120.567 120.500 -0.136 0.000 2.061 33 R HA -0.053 4.289 4.340 0.002 0.000 0.230 33 R C 1.962 178.103 176.300 -0.264 0.000 1.140 33 R CA 1.191 57.047 56.100 -0.407 0.000 0.940 33 R CB -0.507 29.625 30.300 -0.279 0.000 0.839 33 R HN 0.408 nan 8.270 nan 0.000 0.429 34 H N 0.354 119.345 119.070 -0.132 0.000 2.353 34 H HA -0.125 4.433 4.556 0.002 0.000 0.300 34 H C 1.977 177.183 175.328 -0.203 0.000 1.090 34 H CA 1.472 57.425 56.048 -0.159 0.000 1.327 34 H CB -0.077 29.596 29.762 -0.148 0.000 1.383 34 H HN 0.032 nan 8.280 nan 0.000 0.508 35 L N 0.298 121.426 121.223 -0.158 0.000 2.012 35 L HA -0.221 4.121 4.340 0.002 0.000 0.210 35 L C 1.472 178.192 176.870 -0.250 0.000 1.073 35 L CA 1.976 56.641 54.840 -0.291 0.000 0.748 35 L CB -0.287 41.512 42.059 -0.433 0.000 0.891 35 L HN 0.341 nan 8.230 nan 0.000 0.431 36 H N -3.019 115.935 119.070 -0.194 0.000 2.563 36 H HA 0.137 4.694 4.556 0.002 0.000 0.264 36 H C 0.873 176.235 175.328 0.057 0.000 0.957 36 H CA 0.732 56.698 56.048 -0.136 0.000 1.173 36 H CB 0.227 29.850 29.762 -0.232 0.000 1.420 36 H HN 0.237 nan 8.280 nan 0.000 0.551 37 F N -1.218 118.746 119.950 0.025 0.000 2.619 37 F HA 0.148 4.676 4.527 0.002 0.000 0.281 37 F C 2.059 177.808 175.800 -0.086 0.000 1.065 37 F CA 0.466 58.443 58.000 -0.037 0.000 1.304 37 F CB -0.323 38.635 39.000 -0.070 0.000 1.059 37 F HN -0.051 nan 8.300 nan 0.000 0.648 38 T N 0.690 115.284 114.554 0.066 0.000 2.809 38 T HA -0.023 4.328 4.350 0.002 0.000 0.260 38 T C 1.898 176.549 174.700 -0.081 0.000 1.039 38 T CA 1.071 63.125 62.100 -0.077 0.000 1.141 38 T CB -0.238 68.505 68.868 -0.208 0.000 0.869 38 T HN -0.064 nan 8.240 nan 0.000 0.437 39 L N 0.934 122.119 121.223 -0.064 0.000 2.446 39 L HA 0.243 4.584 4.340 0.002 0.000 0.219 39 L C 0.618 177.452 176.870 -0.059 0.000 1.116 39 L CA 0.397 55.191 54.840 -0.076 0.000 0.844 39 L CB -0.445 41.557 42.059 -0.096 0.000 0.970 39 L HN 0.023 nan 8.230 nan 0.000 0.457 40 V N 0.141 120.046 119.914 -0.015 0.000 5.746 40 V HA -0.311 3.811 4.120 0.002 0.000 0.220 40 V C 0.568 176.645 176.094 -0.028 0.000 0.688 40 V CA 0.838 63.147 62.300 0.015 0.000 0.550 40 V CB -2.067 29.766 31.823 0.016 0.000 0.219 40 V HN 0.326 nan 8.190 nan 0.000 0.512 41 K N 0.439 120.794 120.400 -0.075 0.000 2.213 41 K HA 0.865 5.186 4.320 0.002 0.000 0.254 41 K C -0.504 175.982 176.600 -0.189 0.000 1.062 41 K CA -0.665 55.544 56.287 -0.129 0.000 0.884 41 K CB 2.271 34.659 32.500 -0.187 0.000 1.437 41 K HN 0.433 nan 8.250 nan 0.000 0.464 42 D N -1.274 118.984 120.400 -0.236 0.000 2.653 42 D HA 0.195 4.837 4.640 0.002 0.000 0.258 42 D C 0.281 176.474 176.300 -0.178 0.000 1.252 42 D CA -0.432 53.446 54.000 -0.203 0.000 0.777 42 D CB 1.087 41.870 40.800 -0.028 0.000 1.339 42 D HN 0.441 nan 8.370 nan 0.000 0.422 43 R N 1.043 121.514 120.500 -0.048 0.000 2.148 43 R HA 0.070 4.412 4.340 0.002 0.000 0.223 43 R C 0.553 176.888 176.300 0.057 0.000 1.088 43 R CA 0.947 57.082 56.100 0.059 0.000 0.985 43 R CB -0.422 29.980 30.300 0.169 0.000 0.880 43 R HN 0.168 nan 8.270 nan 0.000 0.451 44 N N 0.099 118.825 118.700 0.043 0.000 2.573 44 N HA -0.038 4.703 4.740 0.002 0.000 0.187 44 N C 0.509 176.029 175.510 0.017 0.000 1.107 44 N CA 0.761 53.834 53.050 0.038 0.000 0.918 44 N CB 0.584 39.094 38.487 0.038 0.000 0.966 44 N HN 0.107 nan 8.380 nan 0.000 0.448 45 V N -1.444 118.461 119.914 -0.016 0.000 3.392 45 V HA 0.382 4.503 4.120 0.002 0.000 0.294 45 V C 0.069 176.120 176.094 -0.072 0.000 1.561 45 V CA -0.115 62.167 62.300 -0.030 0.000 1.056 45 V CB 0.370 32.174 31.823 -0.032 0.000 0.882 45 V HN 0.160 nan 8.190 nan 0.000 0.440 46 A N 0.446 123.184 122.820 -0.136 0.000 2.309 46 A HA 0.644 4.966 4.320 0.002 0.000 0.298 46 A C 0.546 178.058 177.584 -0.120 0.000 1.165 46 A CA 0.092 51.969 52.037 -0.266 0.000 0.821 46 A CB 0.340 18.918 19.000 -0.704 0.000 1.102 46 A HN 0.244 nan 8.150 nan 0.000 0.500 47 T N 4.170 118.672 114.554 -0.088 0.000 2.748 47 T HA 0.219 4.571 4.350 0.002 0.000 0.304 47 T C -1.190 173.584 174.700 0.124 0.000 1.041 47 T CA -0.455 61.655 62.100 0.017 0.000 1.033 47 T CB 0.340 69.202 68.868 -0.009 0.000 0.995 47 T HN 0.626 nan 8.240 nan 0.000 0.536 48 P HA -0.214 nan 4.420 nan 0.000 0.213 48 P C 1.548 178.924 177.300 0.127 0.000 1.176 48 P CA 1.334 64.547 63.100 0.188 0.000 0.919 48 P CB 0.061 31.820 31.700 0.098 0.000 0.791 49 R N 0.158 120.682 120.500 0.040 0.000 2.165 49 R HA -0.211 4.131 4.340 0.002 0.000 0.254 49 R C 2.098 178.468 176.300 0.117 0.000 1.153 49 R CA 2.395 58.508 56.100 0.022 0.000 0.971 49 R CB -0.947 29.326 30.300 -0.044 0.000 0.878 49 R HN 0.162 nan 8.270 nan 0.000 0.449 50 D N -1.194 119.258 120.400 0.087 0.000 2.091 50 D HA -0.137 4.504 4.640 0.002 0.000 0.199 50 D C 1.755 178.035 176.300 -0.035 0.000 0.980 50 D CA 1.333 55.363 54.000 0.049 0.000 0.831 50 D CB -0.371 40.328 40.800 -0.167 0.000 0.987 50 D HN 0.305 nan 8.370 nan 0.000 0.460 51 Y N -0.019 120.312 120.300 0.052 0.000 2.384 51 Y HA -0.219 4.333 4.550 0.002 0.000 0.289 51 Y C 2.105 178.043 175.900 0.063 0.000 1.152 51 Y CA 0.686 58.830 58.100 0.073 0.000 1.258 51 Y CB -0.609 37.975 38.460 0.206 0.000 0.979 51 Y HN 0.137 nan 8.280 nan 0.000 0.549 52 Y N -1.360 118.934 120.300 -0.011 0.000 2.516 52 Y HA -0.091 4.460 4.550 0.002 0.000 0.291 52 Y C 1.143 176.835 175.900 -0.346 0.000 1.131 52 Y CA 0.655 58.652 58.100 -0.173 0.000 1.281 52 Y CB -0.587 37.693 38.460 -0.300 0.000 1.013 52 Y HN 0.026 nan 8.280 nan 0.000 0.554 53 F N -0.460 119.277 119.950 -0.354 0.000 2.569 53 F HA 0.224 4.753 4.527 0.002 0.000 0.295 53 F C 2.360 177.974 175.800 -0.311 0.000 1.115 53 F CA 0.504 58.218 58.000 -0.477 0.000 1.450 53 F CB -0.815 38.035 39.000 -0.250 0.000 1.107 53 F HN 0.151 nan 8.300 nan 0.000 0.563 54 A N 0.360 123.054 122.820 -0.211 0.000 1.825 54 A HA -0.109 4.212 4.320 0.002 0.000 0.214 54 A C 2.110 179.443 177.584 -0.418 0.000 1.206 54 A CA 1.389 53.149 52.037 -0.461 0.000 0.609 54 A CB -1.195 17.214 19.000 -0.985 0.000 0.851 54 A HN 0.249 nan 8.150 nan 0.000 0.445 55 L N -0.001 121.100 121.223 -0.203 0.000 1.963 55 L HA -0.198 4.143 4.340 0.002 0.000 0.220 55 L C 2.750 179.579 176.870 -0.068 0.000 1.076 55 L CA 2.764 57.700 54.840 0.159 0.000 0.772 55 L CB -0.923 41.343 42.059 0.344 0.000 0.892 55 L HN 0.403 nan 8.230 nan 0.000 0.435 56 A N -1.861 120.758 122.820 -0.335 0.000 1.986 56 A HA -0.304 4.018 4.320 0.002 0.000 0.220 56 A C 2.098 179.377 177.584 -0.508 0.000 1.171 56 A CA 2.169 53.942 52.037 -0.439 0.000 0.640 56 A CB -1.120 17.221 19.000 -1.100 0.000 0.811 56 A HN 0.774 nan 8.150 nan 0.000 0.451 57 H N -1.214 117.555 119.070 -0.502 0.000 2.307 57 H HA -0.052 4.505 4.556 0.002 0.000 0.303 57 H C 2.411 177.339 175.328 -0.667 0.000 1.073 57 H CA 1.840 57.498 56.048 -0.650 0.000 1.338 57 H CB -0.122 29.102 29.762 -0.897 0.000 1.389 57 H HN 0.446 nan 8.280 nan 0.000 0.503 58 T N 0.021 114.362 114.554 -0.355 0.000 2.737 58 T HA -0.160 4.192 4.350 0.002 0.000 0.269 58 T C 2.099 176.946 174.700 0.245 0.000 1.040 58 T CA 1.362 63.504 62.100 0.070 0.000 1.142 58 T CB -0.358 68.663 68.868 0.255 0.000 0.861 58 T HN 0.099 nan 8.240 nan 0.000 0.456 59 V N 0.745 120.776 119.914 0.194 0.000 2.871 59 V HA 0.010 4.131 4.120 0.002 0.000 0.256 59 V C 2.514 178.806 176.094 0.330 0.000 1.082 59 V CA 1.083 63.546 62.300 0.271 0.000 1.105 59 V CB -0.523 31.448 31.823 0.247 0.000 0.713 59 V HN 0.328 nan 8.190 nan 0.000 0.473 60 R N 0.047 120.698 120.500 0.252 0.000 2.090 60 R HA -0.135 4.207 4.340 0.002 0.000 0.228 60 R C 2.010 178.423 176.300 0.189 0.000 1.110 60 R CA 1.412 57.661 56.100 0.249 0.000 0.973 60 R CB -0.196 30.152 30.300 0.081 0.000 0.869 60 R HN 0.473 nan 8.270 nan 0.000 0.440 61 D N -0.121 120.365 120.400 0.143 0.000 2.157 61 D HA -0.201 4.441 4.640 0.002 0.000 0.191 61 D C 1.738 178.008 176.300 -0.051 0.000 1.004 61 D CA 1.789 55.797 54.000 0.014 0.000 0.854 61 D CB -0.431 40.310 40.800 -0.098 0.000 0.936 61 D HN 0.467 nan 8.370 nan 0.000 0.446 62 H N -0.108 119.031 119.070 0.116 0.000 2.363 62 H HA 0.095 4.652 4.556 0.002 0.000 0.301 62 H C 2.185 177.566 175.328 0.088 0.000 1.074 62 H CA 0.418 56.519 56.048 0.088 0.000 1.354 62 H CB -0.304 29.501 29.762 0.073 0.000 1.397 62 H HN 0.034 nan 8.280 nan 0.000 0.516 63 L N 1.236 122.600 121.223 0.235 0.000 2.079 63 L HA -0.167 4.174 4.340 0.002 0.000 0.210 63 L C 1.994 178.964 176.870 0.167 0.000 1.081 63 L CA 1.607 56.546 54.840 0.165 0.000 0.752 63 L CB -0.117 42.047 42.059 0.175 0.000 0.896 63 L HN 0.373 nan 8.230 nan 0.000 0.433 64 V N -4.383 115.634 119.914 0.172 0.000 2.685 64 V HA 0.152 4.274 4.120 0.002 0.000 0.244 64 V C 2.491 178.705 176.094 0.200 0.000 1.054 64 V CA 0.932 63.368 62.300 0.227 0.000 1.076 64 V CB -1.439 30.510 31.823 0.210 0.000 0.725 64 V HN 0.352 nan 8.190 nan 0.000 0.467 65 G N 1.183 110.049 108.800 0.110 0.000 2.597 65 G HA2 -0.322 3.640 3.960 0.002 0.000 0.222 65 G HA3 -0.322 3.640 3.960 0.002 0.000 0.222 65 G C 1.744 176.679 174.900 0.058 0.000 1.135 65 G CA 1.459 46.597 45.100 0.063 0.000 0.759 65 G HN 0.577 nan 8.290 nan 0.000 0.595 66 R N -1.656 118.893 120.500 0.082 0.000 2.275 66 R HA 0.066 4.408 4.340 0.002 0.000 0.199 66 R C 2.043 178.371 176.300 0.048 0.000 0.989 66 R CA 0.444 56.571 56.100 0.046 0.000 1.016 66 R CB -0.151 30.176 30.300 0.045 0.000 0.918 66 R HN 0.543 nan 8.270 nan 0.000 0.473 67 W N 1.309 122.587 121.300 -0.038 0.000 2.523 67 W HA 0.021 4.682 4.660 0.002 0.000 0.278 67 W C 1.341 177.823 176.519 -0.062 0.000 1.236 67 W CA 0.472 57.781 57.345 -0.061 0.000 1.306 67 W CB 0.082 29.519 29.460 -0.038 0.000 1.101 67 W HN -0.155 nan 8.180 nan 0.000 0.577 68 I N 1.243 121.705 120.570 -0.179 0.000 2.076 68 I HA -0.321 3.850 4.170 0.002 0.000 0.237 68 I C 2.495 178.437 176.117 -0.290 0.000 1.059 68 I CA 1.599 62.743 61.300 -0.260 0.000 1.317 68 I CB -1.785 36.172 38.000 -0.073 0.000 1.037 68 I HN -0.012 nan 8.210 nan 0.000 0.398 69 R N 0.734 121.138 120.500 -0.160 0.000 2.122 69 R HA -0.182 4.160 4.340 0.002 0.000 0.236 69 R C 2.227 178.439 176.300 -0.145 0.000 1.129 69 R CA 2.268 58.300 56.100 -0.114 0.000 0.925 69 R CB -1.689 28.572 30.300 -0.066 0.000 0.850 69 R HN 0.422 nan 8.270 nan 0.000 0.431 70 T N 1.929 116.356 114.554 -0.212 0.000 2.737 70 T HA -0.155 4.197 4.350 0.002 0.000 0.269 70 T C 1.843 176.235 174.700 -0.513 0.000 1.040 70 T CA 1.323 63.234 62.100 -0.316 0.000 1.142 70 T CB -0.079 68.561 68.868 -0.380 0.000 0.861 70 T HN 0.203 nan 8.240 nan 0.000 0.456 71 Q N 0.905 120.366 119.800 -0.565 0.000 2.137 71 Q HA 0.067 4.408 4.340 0.002 0.000 0.198 71 Q C 2.495 178.387 176.000 -0.179 0.000 0.960 71 Q CA 1.043 56.552 55.803 -0.489 0.000 0.847 71 Q CB -0.367 27.928 28.738 -0.739 0.000 0.915 71 Q HN 0.659 nan 8.270 nan 0.000 0.448 72 Q N -0.314 119.369 119.800 -0.196 0.000 2.061 72 Q HA -0.220 4.121 4.340 0.002 0.000 0.204 72 Q C 1.920 177.940 176.000 0.034 0.000 0.984 72 Q CA 1.617 57.371 55.803 -0.082 0.000 0.846 72 Q CB -0.362 28.329 28.738 -0.079 0.000 0.902 72 Q HN 0.493 nan 8.270 nan 0.000 0.421 73 H N -0.619 118.428 119.070 -0.038 0.000 2.457 73 H HA -0.169 4.388 4.556 0.002 0.000 0.297 73 H C 1.031 176.509 175.328 0.250 0.000 1.092 73 H CA 1.440 57.525 56.048 0.062 0.000 1.309 73 H CB 0.154 29.927 29.762 0.018 0.000 1.382 73 H HN 0.265 nan 8.280 nan 0.000 0.535 74 Y N -1.780 118.517 120.300 -0.006 0.000 2.490 74 Y HA -0.027 4.524 4.550 0.002 0.000 0.285 74 Y C 1.661 177.564 175.900 0.005 0.000 1.117 74 Y CA 0.007 58.091 58.100 -0.026 0.000 1.262 74 Y CB -0.820 37.680 38.460 0.066 0.000 1.043 74 Y HN 0.281 nan 8.280 nan 0.000 0.553 75 Y N 1.046 121.396 120.300 0.083 0.000 2.133 75 Y HA -0.165 4.387 4.550 0.002 0.000 0.287 75 Y C 2.309 178.213 175.900 0.006 0.000 1.134 75 Y CA 1.574 59.706 58.100 0.054 0.000 1.133 75 Y CB -0.135 38.346 38.460 0.036 0.000 0.987 75 Y HN 0.007 nan 8.280 nan 0.000 0.502 76 E N 0.213 120.483 120.200 0.118 0.000 2.017 76 E HA -0.237 4.114 4.350 0.002 0.000 0.193 76 E C 2.071 178.647 176.600 -0.041 0.000 0.997 76 E CA 1.403 57.816 56.400 0.023 0.000 0.804 76 E CB -0.548 29.147 29.700 -0.009 0.000 0.757 76 E HN 0.173 nan 8.360 nan 0.000 0.448 77 K N 1.588 121.901 120.400 -0.146 0.000 2.281 77 K HA -0.161 4.160 4.320 0.002 0.000 0.203 77 K C -0.275 176.283 176.600 -0.071 0.000 1.046 77 K CA 0.866 57.070 56.287 -0.139 0.000 0.938 77 K CB -0.482 31.851 32.500 -0.278 0.000 0.737 77 K HN -0.017 nan 8.250 nan 0.000 0.458 78 D N 0.763 121.133 120.400 -0.050 0.000 2.916 78 D HA -0.151 4.491 4.640 0.002 0.000 0.211 78 D C -2.354 173.913 176.300 -0.055 0.000 1.260 78 D CA 0.403 54.377 54.000 -0.043 0.000 0.711 78 D CB 0.020 40.815 40.800 -0.009 0.000 0.915 78 D HN 0.291 nan 8.370 nan 0.000 0.391 79 P HA 0.089 nan 4.420 nan 0.000 0.279 79 P C -0.192 177.034 177.300 -0.124 0.000 1.252 79 P CA -0.665 62.357 63.100 -0.130 0.000 0.811 79 P CB 0.777 32.343 31.700 -0.224 0.000 1.035 80 K N 2.501 122.840 120.400 -0.102 0.000 2.489 80 K HA 0.005 4.326 4.320 0.002 0.000 0.278 80 K C -0.291 176.202 176.600 -0.178 0.000 1.000 80 K CA 0.236 56.455 56.287 -0.114 0.000 1.012 80 K CB 0.248 32.696 32.500 -0.087 0.000 0.903 80 K HN 0.381 nan 8.250 nan 0.000 0.485 81 R N 3.332 123.695 120.500 -0.229 0.000 2.532 81 R HA 0.422 4.764 4.340 0.002 0.000 0.295 81 R C -0.331 175.651 176.300 -0.530 0.000 0.968 81 R CA -0.748 55.143 56.100 -0.347 0.000 0.916 81 R CB 1.332 31.433 30.300 -0.332 0.000 1.124 81 R HN 0.570 nan 8.270 nan 0.000 0.463 82 I N 2.520 122.763 120.570 -0.545 0.000 2.530 82 I HA 0.411 4.582 4.170 0.002 0.000 0.297 82 I C -1.556 174.273 176.117 -0.480 0.000 1.011 82 I CA -0.903 60.051 61.300 -0.576 0.000 1.107 82 I CB 1.562 39.188 38.000 -0.625 0.000 1.285 82 I HN 0.619 nan 8.210 nan 0.000 0.436 83 Y N 6.972 127.255 120.300 -0.029 0.000 2.333 83 Y HA 0.262 4.813 4.550 0.002 0.000 0.324 83 Y C -0.896 175.112 175.900 0.180 0.000 1.033 83 Y CA -0.821 57.394 58.100 0.191 0.000 1.224 83 Y CB 1.070 39.652 38.460 0.202 0.000 1.120 83 Y HN 0.402 nan 8.280 nan 0.000 0.457 84 Y N 4.347 124.800 120.300 0.254 0.000 2.504 84 Y HA 0.422 4.973 4.550 0.002 0.000 0.351 84 Y C -0.513 175.646 175.900 0.431 0.000 0.988 84 Y CA -0.931 57.335 58.100 0.278 0.000 1.239 84 Y CB 0.415 39.061 38.460 0.310 0.000 1.128 84 Y HN 0.594 nan 8.280 nan 0.000 0.525 85 L N 5.531 126.805 121.223 0.085 0.000 2.282 85 L HA 0.321 4.663 4.340 0.002 0.000 0.287 85 L C -0.083 176.805 176.870 0.031 0.000 1.075 85 L CA -0.091 54.846 54.840 0.163 0.000 0.839 85 L CB 0.329 42.459 42.059 0.118 0.000 1.219 85 L HN 0.523 nan 8.230 nan 0.000 0.434 86 S N 2.977 118.751 115.700 0.124 0.000 2.547 86 S HA 0.397 4.868 4.470 0.002 0.000 0.281 86 S C 0.025 174.570 174.600 -0.091 0.000 1.118 86 S CA -0.633 57.496 58.200 -0.119 0.000 0.947 86 S CB 1.573 64.509 63.200 -0.440 0.000 1.053 86 S HN 0.560 nan 8.310 nan 0.000 0.482 87 L N 3.700 124.929 121.223 0.009 0.000 2.801 87 L HA 0.435 4.776 4.340 0.002 0.000 0.250 87 L C 0.249 177.158 176.870 0.064 0.000 1.222 87 L CA 0.663 55.564 54.840 0.100 0.000 1.054 87 L CB -0.398 41.744 42.059 0.138 0.000 1.330 87 L HN 0.708 nan 8.230 nan 0.000 0.426 88 E N -0.414 119.696 120.200 -0.150 0.000 3.397 88 E HA 0.105 4.456 4.350 0.002 0.000 0.380 88 E C -1.613 174.739 176.600 -0.414 0.000 0.989 88 E CA -0.287 56.026 56.400 -0.145 0.000 0.783 88 E CB 0.497 30.087 29.700 -0.182 0.000 1.334 88 E HN -0.055 nan 8.360 nan 0.000 0.457 89 F N 3.636 123.662 119.950 0.127 0.000 2.430 89 F HA 0.263 4.791 4.527 0.002 0.000 0.362 89 F C -0.244 175.629 175.800 0.121 0.000 1.103 89 F CA -0.645 57.433 58.000 0.131 0.000 1.045 89 F CB 0.857 39.933 39.000 0.126 0.000 1.276 89 F HN 0.456 nan 8.300 nan 0.000 0.444 90 Y N 4.698 125.038 120.300 0.066 0.000 2.603 90 Y HA 0.115 4.667 4.550 0.002 0.000 0.341 90 Y C 1.010 176.911 175.900 0.001 0.000 1.272 90 Y CA -0.605 57.487 58.100 -0.012 0.000 1.891 90 Y CB -0.313 38.127 38.460 -0.033 0.000 1.910 90 Y HN 0.692 nan 8.280 nan 0.000 0.432 91 M N 1.951 121.641 119.600 0.150 0.000 2.697 91 M HA 0.173 4.654 4.480 0.002 0.000 0.275 91 M C 1.117 177.364 176.300 -0.089 0.000 1.103 91 M CA 2.066 57.380 55.300 0.023 0.000 1.077 91 M CB -0.708 31.902 32.600 0.016 0.000 1.180 91 M HN 0.626 nan 8.290 nan 0.000 0.513 92 G N 1.720 110.456 108.800 -0.107 0.000 3.110 92 G HA2 -0.134 3.828 3.960 0.002 0.000 0.506 92 G HA3 -0.134 3.828 3.960 0.002 0.000 0.506 92 G C -0.952 173.853 174.900 -0.157 0.000 1.077 92 G CA -0.172 44.837 45.100 -0.152 0.000 0.960 92 G HN 0.720 nan 8.290 nan 0.000 0.434 93 R N 0.475 120.918 120.500 -0.095 0.000 1.602 93 R HA -0.153 4.189 4.340 0.002 0.000 0.389 93 R C 0.890 177.073 176.300 -0.194 0.000 1.286 93 R CA 1.315 57.351 56.100 -0.107 0.000 1.170 93 R CB -1.701 28.516 30.300 -0.138 0.000 3.387 93 R HN 0.806 nan 8.270 nan 0.000 0.484 94 T N 2.448 116.861 114.554 -0.236 0.000 3.026 94 T HA 0.124 4.476 4.350 0.002 0.000 0.245 94 T C 1.929 176.348 174.700 -0.469 0.000 1.004 94 T CA 0.178 61.947 62.100 -0.553 0.000 1.069 94 T CB 0.199 68.259 68.868 -1.348 0.000 1.005 94 T HN 0.425 nan 8.240 nan 0.000 0.472 95 L N 1.323 122.493 121.223 -0.089 0.000 1.991 95 L HA -0.275 4.066 4.340 0.002 0.000 0.221 95 L C 2.772 179.608 176.870 -0.057 0.000 1.079 95 L CA 1.948 56.822 54.840 0.056 0.000 0.778 95 L CB -0.344 41.888 42.059 0.288 0.000 0.893 95 L HN 0.356 nan 8.230 nan 0.000 0.437 96 Q N -0.456 119.308 119.800 -0.060 0.000 2.016 96 Q HA -0.251 4.090 4.340 0.002 0.000 0.200 96 Q C 1.996 177.929 176.000 -0.112 0.000 0.978 96 Q CA 1.957 57.719 55.803 -0.068 0.000 0.833 96 Q CB -0.135 28.562 28.738 -0.068 0.000 0.895 96 Q HN 0.547 nan 8.270 nan 0.000 0.427 97 N N -1.176 117.427 118.700 -0.163 0.000 2.184 97 N HA -0.180 4.562 4.740 0.002 0.000 0.190 97 N C 1.419 176.851 175.510 -0.130 0.000 1.011 97 N CA 1.545 54.503 53.050 -0.153 0.000 0.867 97 N CB 0.147 38.517 38.487 -0.195 0.000 0.993 97 N HN 0.166 nan 8.380 nan 0.000 0.433 98 T N 0.632 115.072 114.554 -0.189 0.000 2.809 98 T HA 0.001 4.353 4.350 0.002 0.000 0.260 98 T C 1.937 176.577 174.700 -0.098 0.000 1.039 98 T CA 0.733 62.729 62.100 -0.173 0.000 1.141 98 T CB -0.014 68.665 68.868 -0.315 0.000 0.869 98 T HN 0.227 nan 8.240 nan 0.000 0.437 99 M N 1.196 120.750 119.600 -0.077 0.000 2.108 99 M HA -0.093 4.389 4.480 0.002 0.000 0.261 99 M C 2.542 178.817 176.300 -0.042 0.000 1.066 99 M CA 1.496 56.769 55.300 -0.044 0.000 1.107 99 M CB -0.679 31.909 32.600 -0.020 0.000 1.356 99 M HN 0.296 nan 8.290 nan 0.000 0.406 100 V N -2.542 117.355 119.914 -0.028 0.000 3.235 100 V HA 0.018 4.139 4.120 0.002 0.000 0.259 100 V C 1.200 177.322 176.094 0.046 0.000 1.133 100 V CA 1.330 63.641 62.300 0.017 0.000 1.128 100 V CB -0.672 31.174 31.823 0.040 0.000 0.757 100 V HN 0.310 nan 8.190 nan 0.000 0.469 101 N N 0.391 119.093 118.700 0.004 0.000 2.463 101 N HA 0.163 4.904 4.740 0.002 0.000 0.181 101 N C 0.975 176.375 175.510 -0.183 0.000 1.078 101 N CA 0.849 53.871 53.050 -0.045 0.000 0.902 101 N CB 0.207 38.703 38.487 0.015 0.000 0.970 101 N HN 0.452 nan 8.380 nan 0.000 0.451 102 L N -0.564 120.580 121.223 -0.131 0.000 2.858 102 L HA 0.441 4.782 4.340 0.002 0.000 0.251 102 L C 0.441 177.236 176.870 -0.125 0.000 1.149 102 L CA -0.131 54.636 54.840 -0.121 0.000 0.955 102 L CB -0.169 41.851 42.059 -0.065 0.000 1.289 102 L HN 0.020 nan 8.230 nan 0.000 0.542 103 A N -0.080 122.663 122.820 -0.127 0.000 2.739 103 A HA -0.216 4.106 4.320 0.002 0.000 0.296 103 A C 0.844 178.380 177.584 -0.080 0.000 1.488 103 A CA 1.166 53.143 52.037 -0.100 0.000 0.746 103 A CB -2.072 16.857 19.000 -0.119 0.000 1.047 103 A HN 0.296 nan 8.150 nan 0.000 0.477 104 L N -1.146 120.031 121.223 -0.077 0.000 2.766 104 L HA 0.242 4.583 4.340 0.002 0.000 0.242 104 L C 1.728 178.570 176.870 -0.047 0.000 1.136 104 L CA 0.872 55.665 54.840 -0.079 0.000 0.933 104 L CB 0.108 42.092 42.059 -0.125 0.000 1.241 104 L HN 0.601 nan 8.230 nan 0.000 0.522 105 E N 0.946 121.127 120.200 -0.033 0.000 2.035 105 E HA -0.303 4.048 4.350 0.002 0.000 0.204 105 E C 1.669 178.260 176.600 -0.014 0.000 1.025 105 E CA 2.280 58.670 56.400 -0.017 0.000 0.835 105 E CB 0.147 29.840 29.700 -0.012 0.000 0.764 105 E HN 0.444 nan 8.360 nan 0.000 0.457 106 N N 0.348 119.037 118.700 -0.018 0.000 2.036 106 N HA -0.212 4.530 4.740 0.002 0.000 0.195 106 N C 1.681 177.183 175.510 -0.013 0.000 1.037 106 N CA 1.675 54.714 53.050 -0.018 0.000 0.855 106 N CB -0.898 37.577 38.487 -0.020 0.000 1.033 106 N HN 0.346 nan 8.380 nan 0.000 0.423 107 A N 0.434 123.243 122.820 -0.018 0.000 1.948 107 A HA -0.184 4.137 4.320 0.002 0.000 0.220 107 A C 2.662 180.243 177.584 -0.005 0.000 1.177 107 A CA 1.549 53.578 52.037 -0.013 0.000 0.636 107 A CB -1.115 17.868 19.000 -0.028 0.000 0.815 107 A HN 0.465 nan 8.150 nan 0.000 0.449 108 C N -1.203 118.092 119.300 -0.007 0.000 2.489 108 C HA -0.051 4.410 4.460 0.002 0.000 0.279 108 C C 2.498 177.496 174.990 0.012 0.000 1.266 108 C CA 1.130 60.152 59.018 0.007 0.000 1.707 108 C CB -1.186 26.567 27.740 0.022 0.000 2.059 108 C HN 0.827 nan 8.230 nan 0.000 0.481 109 D N 0.505 120.915 120.400 0.016 0.000 2.116 109 D HA -0.229 4.412 4.640 0.002 0.000 0.193 109 D C 2.007 178.348 176.300 0.068 0.000 0.998 109 D CA 1.935 55.952 54.000 0.027 0.000 0.836 109 D CB -0.120 40.683 40.800 0.005 0.000 0.951 109 D HN 0.461 nan 8.370 nan 0.000 0.449 110 E N -0.192 120.042 120.200 0.056 0.000 2.051 110 E HA -0.103 4.249 4.350 0.002 0.000 0.192 110 E C 1.882 178.550 176.600 0.114 0.000 0.991 110 E CA 1.448 57.922 56.400 0.124 0.000 0.799 110 E CB -0.572 29.167 29.700 0.065 0.000 0.748 110 E HN 0.354 nan 8.360 nan 0.000 0.449 111 A N -0.157 122.674 122.820 0.019 0.000 1.858 111 A HA -0.212 4.110 4.320 0.002 0.000 0.216 111 A C 2.502 179.992 177.584 -0.157 0.000 1.190 111 A CA 2.884 54.890 52.037 -0.053 0.000 0.617 111 A CB -1.489 17.480 19.000 -0.052 0.000 0.827 111 A HN 0.499 nan 8.150 nan 0.000 0.443 112 T N -2.976 111.473 114.554 -0.176 0.000 2.788 112 T HA -0.253 4.099 4.350 0.002 0.000 0.268 112 T C 1.850 176.422 174.700 -0.213 0.000 1.044 112 T CA 1.612 63.535 62.100 -0.296 0.000 1.139 112 T CB -0.683 68.068 68.868 -0.195 0.000 0.867 112 T HN 0.517 nan 8.240 nan 0.000 0.454 113 Y N 2.636 122.852 120.300 -0.140 0.000 2.165 113 Y HA -0.153 4.398 4.550 0.002 0.000 0.286 113 Y C 2.482 178.319 175.900 -0.104 0.000 1.155 113 Y CA 1.607 59.644 58.100 -0.105 0.000 1.164 113 Y CB -0.603 37.815 38.460 -0.070 0.000 0.978 113 Y HN 0.286 nan 8.280 nan 0.000 0.513 114 Q N -0.268 119.246 119.800 -0.477 0.000 2.369 114 Q HA -0.048 4.293 4.340 0.002 0.000 0.206 114 Q C 2.153 177.936 176.000 -0.361 0.000 0.963 114 Q CA 1.157 56.679 55.803 -0.468 0.000 0.894 114 Q CB 0.019 28.658 28.738 -0.164 0.000 0.965 114 Q HN 0.519 nan 8.270 nan 0.000 0.475 115 L N -0.937 120.086 121.223 -0.334 0.000 2.162 115 L HA 0.095 4.437 4.340 0.002 0.000 0.205 115 L C 0.997 177.697 176.870 -0.283 0.000 1.086 115 L CA 0.737 55.406 54.840 -0.284 0.000 0.778 115 L CB 0.202 42.038 42.059 -0.371 0.000 0.928 115 L HN 0.380 nan 8.230 nan 0.000 0.446 116 G N 0.466 109.067 108.800 -0.332 0.000 2.455 116 G HA2 -0.127 3.834 3.960 0.002 0.000 0.169 116 G HA3 -0.127 3.834 3.960 0.002 0.000 0.169 116 G C -0.592 174.166 174.900 -0.238 0.000 1.074 116 G CA -0.444 44.491 45.100 -0.275 0.000 0.796 116 G HN 0.126 nan 8.290 nan 0.000 0.489 117 L N -0.515 120.563 121.223 -0.242 0.000 2.327 117 L HA 0.872 5.214 4.340 0.002 0.000 0.258 117 L C -0.395 176.411 176.870 -0.106 0.000 1.024 117 L CA -1.307 53.403 54.840 -0.216 0.000 0.825 117 L CB 1.949 43.823 42.059 -0.307 0.000 1.386 117 L HN 0.256 nan 8.230 nan 0.000 0.417 118 D N -0.257 120.113 120.400 -0.050 0.000 2.362 118 D HA 0.330 4.972 4.640 0.002 0.000 0.247 118 D C 0.547 176.852 176.300 0.009 0.000 1.050 118 D CA -0.742 53.260 54.000 0.003 0.000 0.839 118 D CB 1.659 42.471 40.800 0.019 0.000 1.283 118 D HN 0.630 nan 8.370 nan 0.000 0.477 119 M N 1.708 121.323 119.600 0.024 0.000 2.159 119 M HA -0.144 4.337 4.480 0.002 0.000 0.263 119 M C 1.214 177.535 176.300 0.035 0.000 1.063 119 M CA 1.584 56.906 55.300 0.037 0.000 1.110 119 M CB 0.023 32.645 32.600 0.038 0.000 1.374 119 M HN 0.579 nan 8.290 nan 0.000 0.411 120 E N -0.183 120.030 120.200 0.021 0.000 2.110 120 E HA -0.203 4.149 4.350 0.002 0.000 0.193 120 E C 1.908 178.514 176.600 0.009 0.000 0.988 120 E CA 1.065 57.472 56.400 0.013 0.000 0.804 120 E CB -0.106 29.601 29.700 0.011 0.000 0.745 120 E HN 0.551 nan 8.360 nan 0.000 0.458 121 E N 0.767 120.974 120.200 0.012 0.000 2.049 121 E HA -0.209 4.143 4.350 0.002 0.000 0.198 121 E C 2.278 178.878 176.600 0.001 0.000 1.007 121 E CA 1.013 57.418 56.400 0.007 0.000 0.809 121 E CB -0.211 29.495 29.700 0.010 0.000 0.749 121 E HN 0.328 nan 8.360 nan 0.000 0.450 122 L N 0.684 121.924 121.223 0.027 0.000 2.141 122 L HA -0.139 4.202 4.340 0.002 0.000 0.209 122 L C 2.277 179.127 176.870 -0.033 0.000 1.094 122 L CA 0.929 55.796 54.840 0.045 0.000 0.763 122 L CB -0.488 41.663 42.059 0.154 0.000 0.908 122 L HN 0.108 nan 8.230 nan 0.000 0.437 123 E N 0.077 120.267 120.200 -0.016 0.000 2.204 123 E HA -0.184 4.168 4.350 0.002 0.000 0.195 123 E C 1.704 178.227 176.600 -0.130 0.000 0.990 123 E CA 0.713 57.082 56.400 -0.052 0.000 0.821 123 E CB 0.069 29.761 29.700 -0.014 0.000 0.750 123 E HN 0.425 nan 8.360 nan 0.000 0.477 124 E N 0.277 120.417 120.200 -0.100 0.000 2.489 124 E HA -0.033 4.318 4.350 0.002 0.000 0.193 124 E C 1.608 178.131 176.600 -0.128 0.000 1.057 124 E CA 0.142 56.490 56.400 -0.086 0.000 0.866 124 E CB 0.382 30.067 29.700 -0.026 0.000 0.916 124 E HN 0.294 nan 8.360 nan 0.000 0.500 125 I N 0.646 121.080 120.570 -0.226 0.000 3.059 125 I HA -0.026 4.145 4.170 0.002 0.000 0.270 125 I C 1.228 177.114 176.117 -0.385 0.000 1.238 125 I CA 0.380 61.522 61.300 -0.263 0.000 1.478 125 I CB -0.601 37.227 38.000 -0.286 0.000 1.097 125 I HN 0.047 nan 8.210 nan 0.000 0.455 126 E N 2.993 122.881 120.200 -0.520 0.000 2.360 126 E HA 0.041 4.392 4.350 0.002 0.000 0.269 126 E C -0.245 176.304 176.600 -0.086 0.000 1.022 126 E CA -0.134 56.025 56.400 -0.400 0.000 0.887 126 E CB 0.785 30.304 29.700 -0.301 0.000 0.990 126 E HN 0.246 nan 8.360 nan 0.000 0.426 127 E N 3.553 123.792 120.200 0.065 0.000 2.231 127 E HA 0.160 4.511 4.350 0.002 0.000 0.277 127 E C -0.915 175.782 176.600 0.162 0.000 0.999 127 E CA -0.810 55.672 56.400 0.137 0.000 0.827 127 E CB 0.947 30.789 29.700 0.237 0.000 1.101 127 E HN 0.435 nan 8.360 nan 0.000 0.393 128 D N 1.283 121.733 120.400 0.084 0.000 2.425 128 D HA 0.133 4.774 4.640 0.002 0.000 0.247 128 D C -0.194 176.064 176.300 -0.069 0.000 1.147 128 D CA 0.046 54.048 54.000 0.004 0.000 0.879 128 D CB 0.711 41.476 40.800 -0.059 0.000 1.179 128 D HN 0.464 nan 8.370 nan 0.000 0.456 129 A N 2.753 125.498 122.820 -0.126 0.000 2.618 129 A HA 0.354 4.675 4.320 0.002 0.000 0.293 129 A C 1.230 178.309 177.584 -0.842 0.000 1.413 129 A CA -0.103 51.620 52.037 -0.523 0.000 1.074 129 A CB -0.649 18.285 19.000 -0.109 0.000 1.087 129 A HN 0.541 nan 8.150 nan 0.000 0.553 130 G N 1.958 109.877 108.800 -1.469 0.000 3.003 130 G HA2 0.382 4.343 3.960 0.002 0.000 0.266 130 G HA3 0.382 4.343 3.960 0.002 0.000 0.266 130 G C 0.252 174.754 174.900 -0.663 0.000 0.755 130 G CA -0.189 44.360 45.100 -0.919 0.000 2.061 130 G HN 0.551 nan 8.290 nan 0.000 0.599 131 L N 1.160 122.174 121.223 -0.349 0.000 3.066 131 L HA 0.393 4.734 4.340 0.002 0.000 0.265 131 L C 1.082 177.911 176.870 -0.069 0.000 1.232 131 L CA -0.160 54.655 54.840 -0.041 0.000 1.031 131 L CB -0.256 41.878 42.059 0.126 0.000 1.379 131 L HN 0.382 nan 8.230 nan 0.000 0.563 132 G N -0.744 107.878 108.800 -0.296 0.000 2.827 132 G HA2 0.430 4.391 3.960 0.002 0.000 0.296 132 G HA3 0.430 4.391 3.960 0.002 0.000 0.296 132 G C -0.100 174.234 174.900 -0.944 0.000 1.362 132 G CA -0.054 44.727 45.100 -0.532 0.000 0.809 132 G HN 0.015 nan 8.290 nan 0.000 0.522 133 N N -3.107 114.898 118.700 -1.159 0.000 2.591 133 N HA 0.313 5.054 4.740 0.002 0.000 0.275 133 N C 0.871 175.978 175.510 -0.673 0.000 0.863 133 N CA 1.135 53.658 53.050 -0.878 0.000 1.019 133 N CB 0.721 38.945 38.487 -0.438 0.000 1.674 133 N HN 0.878 nan 8.380 nan 0.000 1.001 134 G N -1.090 107.525 108.800 -0.308 0.000 3.354 134 G HA2 0.393 4.355 3.960 0.002 0.000 0.174 134 G HA3 0.393 4.355 3.960 0.002 0.000 0.174 134 G C 0.714 175.697 174.900 0.139 0.000 1.140 134 G CA 0.166 45.297 45.100 0.050 0.000 0.897 134 G HN 0.293 nan 8.290 nan 0.000 0.685 135 G N 0.194 109.037 108.800 0.070 0.000 2.639 135 G HA2 -0.141 3.820 3.960 0.002 0.000 0.216 135 G HA3 -0.141 3.820 3.960 0.002 0.000 0.216 135 G C 1.745 176.645 174.900 -0.001 0.000 1.267 135 G CA 1.285 46.410 45.100 0.042 0.000 0.801 135 G HN 0.460 nan 8.290 nan 0.000 0.592 136 L N 1.379 122.553 121.223 -0.082 0.000 2.026 136 L HA -0.183 4.158 4.340 0.002 0.000 0.231 136 L C 2.752 179.559 176.870 -0.105 0.000 1.095 136 L CA 2.992 57.725 54.840 -0.178 0.000 0.810 136 L CB -1.412 40.531 42.059 -0.192 0.000 0.909 136 L HN 0.339 nan 8.230 nan 0.000 0.444 137 G N -1.486 107.261 108.800 -0.088 0.000 2.572 137 G HA2 -0.254 3.707 3.960 0.002 0.000 0.216 137 G HA3 -0.254 3.707 3.960 0.002 0.000 0.216 137 G C 1.643 176.619 174.900 0.127 0.000 1.133 137 G CA 0.656 45.717 45.100 -0.065 0.000 0.791 137 G HN 0.409 nan 8.290 nan 0.000 0.538 138 R N 0.030 120.667 120.500 0.227 0.000 2.066 138 R HA 0.029 4.370 4.340 0.002 0.000 0.232 138 R C 2.295 178.658 176.300 0.105 0.000 1.131 138 R CA 1.085 57.324 56.100 0.233 0.000 0.955 138 R CB -0.953 29.460 30.300 0.188 0.000 0.851 138 R HN 0.235 nan 8.270 nan 0.000 0.432 139 L N 0.674 121.893 121.223 -0.007 0.000 2.010 139 L HA -0.232 4.109 4.340 0.002 0.000 0.219 139 L C 2.222 178.861 176.870 -0.385 0.000 1.077 139 L CA 2.581 57.277 54.840 -0.241 0.000 0.773 139 L CB -1.248 40.647 42.059 -0.275 0.000 0.892 139 L HN 0.367 nan 8.230 nan 0.000 0.436 140 A N -1.052 121.706 122.820 -0.104 0.000 1.940 140 A HA -0.159 4.162 4.320 0.002 0.000 0.219 140 A C 2.395 180.160 177.584 0.301 0.000 1.176 140 A CA 2.106 54.256 52.037 0.189 0.000 0.631 140 A CB -1.153 18.031 19.000 0.307 0.000 0.814 140 A HN 0.638 nan 8.150 nan 0.000 0.446 141 A N -1.513 121.462 122.820 0.258 0.000 2.015 141 A HA -0.070 4.251 4.320 0.002 0.000 0.219 141 A C 2.255 179.930 177.584 0.153 0.000 1.163 141 A CA 1.487 53.662 52.037 0.230 0.000 0.646 141 A CB -0.993 18.113 19.000 0.177 0.000 0.806 141 A HN 0.587 nan 8.150 nan 0.000 0.448 142 C N -1.636 117.759 119.300 0.159 0.000 2.508 142 C HA 0.017 4.478 4.460 0.002 0.000 0.280 142 C C 2.345 177.524 174.990 0.314 0.000 1.262 142 C CA 0.606 59.754 59.018 0.217 0.000 1.706 142 C CB -1.491 26.413 27.740 0.274 0.000 2.078 142 C HN 0.632 nan 8.230 nan 0.000 0.480 143 F N 1.778 121.753 119.950 0.041 0.000 2.115 143 F HA -0.167 4.361 4.527 0.002 0.000 0.300 143 F C 2.202 177.982 175.800 -0.033 0.000 1.092 143 F CA 1.224 59.199 58.000 -0.042 0.000 1.245 143 F CB -1.597 37.260 39.000 -0.239 0.000 0.995 143 F HN 0.231 nan 8.300 nan 0.000 0.481 144 L N -0.593 120.735 121.223 0.175 0.000 2.012 144 L HA -0.246 4.096 4.340 0.002 0.000 0.210 144 L C 2.398 179.300 176.870 0.054 0.000 1.073 144 L CA 1.995 56.879 54.840 0.073 0.000 0.748 144 L CB -0.885 41.186 42.059 0.021 0.000 0.891 144 L HN 0.151 nan 8.230 nan 0.000 0.431 145 D N -0.160 120.278 120.400 0.063 0.000 2.144 145 D HA -0.148 4.493 4.640 0.002 0.000 0.200 145 D C 2.134 178.472 176.300 0.062 0.000 0.978 145 D CA 1.409 55.436 54.000 0.045 0.000 0.833 145 D CB 0.340 41.157 40.800 0.029 0.000 0.961 145 D HN 0.227 nan 8.370 nan 0.000 0.470 146 S N -0.136 115.616 115.700 0.086 0.000 2.368 146 S HA -0.056 4.415 4.470 0.002 0.000 0.224 146 S C 2.116 176.743 174.600 0.044 0.000 1.029 146 S CA 0.770 59.006 58.200 0.061 0.000 0.988 146 S CB -0.065 63.168 63.200 0.055 0.000 0.838 146 S HN 0.340 nan 8.310 nan 0.000 0.462 147 M N 0.871 120.500 119.600 0.048 0.000 2.229 147 M HA -0.035 4.447 4.480 0.002 0.000 0.264 147 M C 2.379 178.703 176.300 0.041 0.000 1.063 147 M CA 1.158 56.488 55.300 0.050 0.000 1.114 147 M CB -0.463 32.167 32.600 0.050 0.000 1.387 147 M HN 0.375 nan 8.290 nan 0.000 0.420 148 A N -0.021 122.821 122.820 0.036 0.000 1.872 148 A HA -0.113 4.209 4.320 0.002 0.000 0.214 148 A C 2.203 179.817 177.584 0.050 0.000 1.187 148 A CA 2.000 54.061 52.037 0.040 0.000 0.614 148 A CB -1.084 17.932 19.000 0.027 0.000 0.826 148 A HN 0.370 nan 8.150 nan 0.000 0.442 149 T N 0.697 115.283 114.554 0.054 0.000 2.720 149 T HA -0.081 4.270 4.350 0.002 0.000 0.268 149 T C 1.317 176.047 174.700 0.049 0.000 1.037 149 T CA 1.199 63.338 62.100 0.064 0.000 1.144 149 T CB -0.386 68.528 68.868 0.076 0.000 0.864 149 T HN 0.317 nan 8.240 nan 0.000 0.444 150 L N 1.253 122.501 121.223 0.041 0.000 2.762 150 L HA 0.154 4.495 4.340 0.002 0.000 0.250 150 L C 1.884 178.776 176.870 0.036 0.000 1.160 150 L CA 0.258 55.118 54.840 0.034 0.000 0.951 150 L CB -1.426 40.651 42.059 0.029 0.000 1.148 150 L HN 0.456 nan 8.230 nan 0.000 0.424 151 G N 0.672 109.500 108.800 0.046 0.000 2.280 151 G HA2 -0.310 3.651 3.960 0.002 0.000 0.282 151 G HA3 -0.310 3.651 3.960 0.002 0.000 0.282 151 G C 0.522 175.454 174.900 0.054 0.000 1.000 151 G CA 0.228 45.365 45.100 0.062 0.000 0.751 151 G HN 0.371 nan 8.290 nan 0.000 0.515 152 L N -0.196 121.043 121.223 0.026 0.000 2.439 152 L HA 0.446 4.788 4.340 0.002 0.000 0.269 152 L C 1.200 178.022 176.870 -0.080 0.000 1.179 152 L CA 0.137 54.957 54.840 -0.034 0.000 0.828 152 L CB 1.131 43.198 42.059 0.013 0.000 1.106 152 L HN 0.242 nan 8.230 nan 0.000 0.467 153 A N 3.159 125.795 122.820 -0.306 0.000 3.015 153 A HA 0.584 4.905 4.320 0.002 0.000 0.293 153 A C 0.278 177.702 177.584 -0.268 0.000 1.572 153 A CA -0.214 51.533 52.037 -0.483 0.000 1.274 153 A CB -0.337 18.034 19.000 -1.049 0.000 1.156 153 A HN 0.764 nan 8.150 nan 0.000 0.562 154 A N 1.039 123.726 122.820 -0.221 0.000 2.313 154 A HA 0.909 5.231 4.320 0.002 0.000 0.323 154 A C -1.148 176.173 177.584 -0.439 0.000 1.133 154 A CA -0.471 51.423 52.037 -0.239 0.000 0.847 154 A CB 0.927 19.845 19.000 -0.138 0.000 1.308 154 A HN 0.600 nan 8.150 nan 0.000 0.475 155 Y N -1.362 118.929 120.300 -0.015 0.000 2.504 155 Y HA 0.553 5.104 4.550 0.002 0.000 0.344 155 Y C 0.460 176.333 175.900 -0.044 0.000 1.023 155 Y CA -0.392 57.703 58.100 -0.008 0.000 1.020 155 Y CB 2.666 41.250 38.460 0.206 0.000 1.282 155 Y HN 0.899 nan 8.280 nan 0.000 0.454 156 G N 2.091 110.821 108.800 -0.116 0.000 2.605 156 G HA2 0.525 4.486 3.960 0.002 0.000 0.304 156 G HA3 0.525 4.486 3.960 0.002 0.000 0.304 156 G C -2.105 172.619 174.900 -0.294 0.000 1.333 156 G CA -0.383 44.561 45.100 -0.261 0.000 0.973 156 G HN 0.404 nan 8.290 nan 0.000 0.507 157 Y N 1.528 121.927 120.300 0.164 0.000 2.331 157 Y HA 0.673 5.224 4.550 0.002 0.000 0.334 157 Y C 0.767 176.916 175.900 0.415 0.000 0.960 157 Y CA -0.188 58.018 58.100 0.176 0.000 1.130 157 Y CB 2.582 41.152 38.460 0.183 0.000 1.164 157 Y HN 0.786 nan 8.280 nan 0.000 0.458 158 G N 2.284 111.396 108.800 0.520 0.000 2.870 158 G HA2 0.608 4.569 3.960 0.002 0.000 0.299 158 G HA3 0.608 4.569 3.960 0.002 0.000 0.299 158 G C -1.341 173.805 174.900 0.409 0.000 1.324 158 G CA -0.981 44.434 45.100 0.526 0.000 0.808 158 G HN 0.460 nan 8.290 nan 0.000 0.535 159 I N 0.491 121.232 120.570 0.286 0.000 2.532 159 I HA 0.327 4.498 4.170 0.002 0.000 0.292 159 I C 0.736 176.859 176.117 0.010 0.000 1.014 159 I CA -0.535 60.866 61.300 0.169 0.000 1.340 159 I CB 1.474 39.368 38.000 -0.177 0.000 1.422 159 I HN 0.343 nan 8.210 nan 0.000 0.528 160 R N 5.646 126.186 120.500 0.067 0.000 2.210 160 R HA 0.224 4.565 4.340 0.002 0.000 0.338 160 R C -1.418 174.860 176.300 -0.036 0.000 1.062 160 R CA -0.324 55.810 56.100 0.056 0.000 0.902 160 R CB 0.241 30.539 30.300 -0.004 0.000 1.050 160 R HN 0.391 nan 8.270 nan 0.000 0.461 161 Y N 2.439 122.840 120.300 0.167 0.000 2.319 161 Y HA 0.021 4.572 4.550 0.002 0.000 0.328 161 Y C 1.426 177.445 175.900 0.199 0.000 1.133 161 Y CA -0.119 58.066 58.100 0.142 0.000 1.265 161 Y CB 1.324 39.846 38.460 0.104 0.000 1.218 161 Y HN 0.683 nan 8.280 nan 0.000 0.508 162 E N 1.890 122.221 120.200 0.218 0.000 2.086 162 E HA -0.060 4.291 4.350 0.002 0.000 0.190 162 E C 0.312 176.732 176.600 -0.299 0.000 0.975 162 E CA 0.825 57.155 56.400 -0.116 0.000 0.813 162 E CB 0.111 29.683 29.700 -0.213 0.000 0.768 162 E HN 0.693 nan 8.360 nan 0.000 0.457 163 F N -0.231 119.894 119.950 0.291 0.000 2.708 163 F HA 0.316 4.844 4.527 0.002 0.000 0.300 163 F C 1.318 177.252 175.800 0.224 0.000 1.118 163 F CA 0.140 58.296 58.000 0.261 0.000 1.307 163 F CB 0.741 39.835 39.000 0.157 0.000 0.986 163 F HN 0.128 nan 8.300 nan 0.000 0.522 164 G N 1.542 110.525 108.800 0.306 0.000 2.704 164 G HA2 -0.352 3.610 3.960 0.002 0.000 0.344 164 G HA3 -0.352 3.610 3.960 0.002 0.000 0.344 164 G C 0.145 174.952 174.900 -0.155 0.000 1.200 164 G CA 0.796 45.890 45.100 -0.010 0.000 0.962 164 G HN 0.291 nan 8.290 nan 0.000 0.552 165 I N -0.068 120.433 120.570 -0.115 0.000 3.352 165 I HA 0.592 4.763 4.170 0.002 0.000 0.316 165 I C -0.165 175.962 176.117 0.017 0.000 1.214 165 I CA -1.010 60.238 61.300 -0.087 0.000 0.934 165 I CB 1.685 39.528 38.000 -0.262 0.000 1.310 165 I HN 0.616 nan 8.210 nan 0.000 0.475 166 F N 1.785 121.765 119.950 0.050 0.000 2.450 166 F HA 0.377 4.905 4.527 0.002 0.000 0.339 166 F C 0.149 176.004 175.800 0.091 0.000 1.146 166 F CA -0.461 57.590 58.000 0.084 0.000 1.267 166 F CB -0.160 38.890 39.000 0.083 0.000 1.178 166 F HN 0.265 nan 8.300 nan 0.000 0.585 167 N N 1.630 120.490 118.700 0.266 0.000 2.479 167 N HA 0.087 4.829 4.740 0.002 0.000 0.285 167 N C -1.189 174.523 175.510 0.337 0.000 1.075 167 N CA -0.580 52.589 53.050 0.199 0.000 0.967 167 N CB 1.225 39.828 38.487 0.193 0.000 1.137 167 N HN 0.737 nan 8.380 nan 0.000 0.472 168 Q N 2.540 122.511 119.800 0.285 0.000 2.257 168 Q HA 0.209 4.551 4.340 0.002 0.000 0.255 168 Q C -1.166 174.960 176.000 0.210 0.000 0.920 168 Q CA -0.519 55.488 55.803 0.340 0.000 0.927 168 Q CB 0.946 29.889 28.738 0.341 0.000 1.229 168 Q HN 0.342 nan 8.270 nan 0.000 0.433 169 K N 4.251 124.754 120.400 0.171 0.000 2.270 169 K HA 0.392 4.714 4.320 0.002 0.000 0.255 169 K C -1.165 175.484 176.600 0.081 0.000 0.936 169 K CA -0.572 55.775 56.287 0.101 0.000 0.809 169 K CB 1.081 33.636 32.500 0.091 0.000 1.131 169 K HN 0.589 nan 8.250 nan 0.000 0.427 170 I N 4.824 125.419 120.570 0.041 0.000 2.337 170 I HA 0.230 4.401 4.170 0.002 0.000 0.285 170 I C -0.785 175.346 176.117 0.023 0.000 1.041 170 I CA -0.524 60.789 61.300 0.021 0.000 1.199 170 I CB 0.644 38.644 38.000 0.001 0.000 1.370 170 I HN 0.637 nan 8.210 nan 0.000 0.470 171 C N 4.057 123.396 119.300 0.065 0.000 2.369 171 C HA 0.609 5.071 4.460 0.002 0.000 0.322 171 C C 1.124 176.203 174.990 0.147 0.000 1.258 171 C CA -0.042 59.023 59.018 0.079 0.000 1.487 171 C CB 0.629 28.412 27.740 0.071 0.000 2.165 171 C HN 1.046 nan 8.230 nan 0.000 0.483 172 G N 3.076 111.944 108.800 0.113 0.000 2.198 172 G HA2 0.040 4.002 3.960 0.002 0.000 0.260 172 G HA3 0.040 4.002 3.960 0.002 0.000 0.260 172 G C 0.967 175.879 174.900 0.021 0.000 1.025 172 G CA 0.771 45.965 45.100 0.157 0.000 0.769 172 G HN 2.402 nan 8.290 nan 0.000 0.507 173 G N -2.501 106.245 108.800 -0.089 0.000 2.258 173 G HA2 -0.264 3.698 3.960 0.002 0.000 0.274 173 G HA3 -0.264 3.698 3.960 0.002 0.000 0.274 173 G C 0.307 174.929 174.900 -0.464 0.000 1.021 173 G CA 0.899 45.829 45.100 -0.283 0.000 0.798 173 G HN 1.248 nan 8.290 nan 0.000 0.507 174 W N -1.020 120.219 121.300 -0.102 0.000 2.781 174 W HA 0.643 5.304 4.660 0.003 0.000 0.345 174 W C 0.340 176.796 176.519 -0.105 0.000 1.085 174 W CA -1.077 56.205 57.345 -0.105 0.000 1.198 174 W CB 1.260 30.679 29.460 -0.069 0.000 1.423 174 W HN 0.138 nan 8.180 nan 0.000 0.532 175 Q N 2.986 122.891 119.800 0.174 0.000 2.274 175 Q HA 0.391 4.732 4.340 0.002 0.000 0.256 175 Q C -0.717 175.321 176.000 0.063 0.000 0.927 175 Q CA -0.198 55.650 55.803 0.075 0.000 0.939 175 Q CB 0.875 29.640 28.738 0.044 0.000 1.201 175 Q HN 0.381 nan 8.270 nan 0.000 0.426 176 M N 3.982 123.616 119.600 0.057 0.000 2.294 176 M HA 0.247 4.728 4.480 0.002 0.000 0.335 176 M C -0.886 175.431 176.300 0.027 0.000 1.079 176 M CA -0.668 54.647 55.300 0.024 0.000 0.982 176 M CB 1.825 34.452 32.600 0.046 0.000 1.651 176 M HN 0.621 nan 8.290 nan 0.000 0.437 177 E N 3.180 123.339 120.200 -0.068 0.000 2.081 177 E HA 0.393 4.744 4.350 0.002 0.000 0.281 177 E C -0.850 175.795 176.600 0.075 0.000 0.986 177 E CA -0.256 56.104 56.400 -0.067 0.000 0.796 177 E CB 0.922 30.272 29.700 -0.583 0.000 1.085 177 E HN 0.563 nan 8.360 nan 0.000 0.398 178 E N 1.204 121.512 120.200 0.180 0.000 2.330 178 E HA 0.581 4.933 4.350 0.002 0.000 0.256 178 E C -0.495 176.232 176.600 0.212 0.000 1.146 178 E CA -0.981 55.514 56.400 0.159 0.000 0.945 178 E CB 1.046 30.839 29.700 0.155 0.000 1.182 178 E HN 0.645 nan 8.360 nan 0.000 0.480 179 A N 1.005 123.940 122.820 0.192 0.000 2.306 179 A HA 0.188 4.509 4.320 0.002 0.000 0.314 179 A C -0.688 177.069 177.584 0.288 0.000 1.164 179 A CA -0.497 51.684 52.037 0.240 0.000 0.822 179 A CB 0.628 19.753 19.000 0.208 0.000 1.130 179 A HN 0.505 nan 8.150 nan 0.000 0.496 180 D N 2.121 122.714 120.400 0.321 0.000 2.483 180 D HA 0.237 4.878 4.640 0.002 0.000 0.220 180 D C -0.779 175.769 176.300 0.413 0.000 1.173 180 D CA -0.214 53.979 54.000 0.321 0.000 0.964 180 D CB 0.324 41.265 40.800 0.234 0.000 1.046 180 D HN 0.457 nan 8.370 nan 0.000 0.517 181 D N 3.377 123.978 120.400 0.334 0.000 2.639 181 D HA -0.018 4.624 4.640 0.002 0.000 0.233 181 D C 1.601 177.949 176.300 0.080 0.000 1.161 181 D CA -0.862 53.216 54.000 0.131 0.000 1.003 181 D CB -0.359 40.504 40.800 0.105 0.000 1.034 181 D HN 0.444 nan 8.370 nan 0.000 0.514 182 W N 1.123 122.433 121.300 0.018 0.000 2.364 182 W HA -0.089 4.573 4.660 0.003 0.000 0.281 182 W C 0.356 176.904 176.519 0.047 0.000 1.219 182 W CA -0.077 57.303 57.345 0.058 0.000 1.220 182 W CB -0.868 28.629 29.460 0.061 0.000 1.127 182 W HN 0.206 nan 8.180 nan 0.000 0.556 183 L N 1.320 121.933 121.223 -1.017 0.000 2.675 183 L HA -0.009 4.332 4.340 0.002 0.000 0.238 183 L C 2.905 179.511 176.870 -0.440 0.000 1.155 183 L CA 0.311 54.609 54.840 -0.902 0.000 0.881 183 L CB -0.564 40.909 42.059 -0.977 0.000 1.008 183 L HN -0.043 nan 8.230 nan 0.000 0.443 184 R N 0.059 120.395 120.500 -0.274 0.000 2.112 184 R HA -0.218 4.123 4.340 0.002 0.000 0.242 184 R C 0.353 176.375 176.300 -0.464 0.000 1.137 184 R CA 1.911 57.826 56.100 -0.309 0.000 0.944 184 R CB -0.042 30.166 30.300 -0.154 0.000 0.857 184 R HN 0.316 nan 8.270 nan 0.000 0.435 185 Y N -0.895 119.370 120.300 -0.058 0.000 2.672 185 Y HA 0.394 4.945 4.550 0.002 0.000 0.272 185 Y C 0.275 176.037 175.900 -0.230 0.000 1.055 185 Y CA 0.100 58.132 58.100 -0.113 0.000 1.151 185 Y CB 1.166 39.598 38.460 -0.047 0.000 1.190 185 Y HN 0.352 nan 8.280 nan 0.000 0.574 186 G N 1.728 110.465 108.800 -0.105 0.000 2.690 186 G HA2 -0.178 3.784 3.960 0.002 0.000 0.686 186 G HA3 -0.178 3.784 3.960 0.002 0.000 0.686 186 G C -1.183 173.687 174.900 -0.052 0.000 1.277 186 G CA -0.915 44.092 45.100 -0.155 0.000 0.799 186 G HN 0.421 nan 8.290 nan 0.000 0.613 187 N N 1.608 120.253 118.700 -0.092 0.000 2.569 187 N HA 0.578 5.319 4.740 0.002 0.000 0.254 187 N C -0.795 174.669 175.510 -0.077 0.000 1.004 187 N CA -2.020 51.031 53.050 0.002 0.000 0.904 187 N CB 2.154 40.593 38.487 -0.080 0.000 1.165 187 N HN 0.212 nan 8.380 nan 0.000 0.513 188 P HA 0.001 nan 4.420 nan 0.000 0.229 188 P C 0.579 177.501 177.300 -0.629 0.000 1.160 188 P CA 0.696 63.448 63.100 -0.580 0.000 0.777 188 P CB 0.023 31.172 31.700 -0.917 0.000 0.814 189 W N 2.034 123.334 121.300 -0.001 0.000 2.721 189 W HA -0.009 4.653 4.660 0.003 0.000 0.245 189 W C 1.097 177.604 176.519 -0.020 0.000 1.276 189 W CA -0.296 57.042 57.345 -0.012 0.000 1.342 189 W CB -0.244 29.232 29.460 0.027 0.000 1.135 189 W HN 0.133 nan 8.180 nan 0.000 0.654 190 E N 0.466 120.724 120.200 0.097 0.000 2.235 190 E HA 0.455 4.806 4.350 0.002 0.000 0.265 190 E C -0.539 176.094 176.600 0.055 0.000 0.940 190 E CA -1.071 55.386 56.400 0.094 0.000 0.819 190 E CB 1.659 31.447 29.700 0.147 0.000 1.206 190 E HN -0.352 nan 8.360 nan 0.000 0.409 191 K N 1.319 121.738 120.400 0.032 0.000 2.507 191 K HA 0.438 4.759 4.320 0.002 0.000 0.252 191 K C -1.354 175.194 176.600 -0.086 0.000 0.943 191 K CA -0.743 55.526 56.287 -0.031 0.000 0.808 191 K CB 1.883 34.317 32.500 -0.110 0.000 1.142 191 K HN 0.729 nan 8.250 nan 0.000 0.426 192 A N 4.745 127.466 122.820 -0.165 0.000 2.409 192 A HA 0.372 4.693 4.320 0.002 0.000 0.267 192 A C -0.176 177.199 177.584 -0.348 0.000 1.127 192 A CA -0.258 51.445 52.037 -0.556 0.000 0.795 192 A CB 0.204 18.959 19.000 -0.409 0.000 1.061 192 A HN 0.533 nan 8.150 nan 0.000 0.502 193 R N 4.352 124.637 120.500 -0.358 0.000 2.402 193 R HA 0.232 4.573 4.340 0.002 0.000 0.290 193 R C -2.408 173.887 176.300 -0.007 0.000 1.321 193 R CA -2.086 53.949 56.100 -0.108 0.000 1.283 193 R CB 0.914 31.112 30.300 -0.169 0.000 1.111 193 R HN 0.537 nan 8.270 nan 0.000 0.578 194 P HA -0.202 nan 4.420 nan 0.000 0.216 194 P C 0.177 177.547 177.300 0.117 0.000 1.153 194 P CA 1.399 64.522 63.100 0.037 0.000 0.858 194 P CB 0.412 32.119 31.700 0.013 0.000 0.789 195 E N -1.068 119.226 120.200 0.157 0.000 2.510 195 E HA -0.089 4.263 4.350 0.002 0.000 0.202 195 E C 0.612 177.274 176.600 0.105 0.000 1.072 195 E CA 0.742 57.206 56.400 0.108 0.000 0.883 195 E CB -1.162 28.564 29.700 0.044 0.000 0.818 195 E HN 0.371 nan 8.360 nan 0.000 0.548 196 F N -0.051 119.936 119.950 0.063 0.000 2.735 196 F HA 0.251 4.779 4.527 0.002 0.000 0.308 196 F C 0.475 176.359 175.800 0.140 0.000 1.112 196 F CA -0.883 57.181 58.000 0.107 0.000 1.235 196 F CB 0.024 39.109 39.000 0.142 0.000 1.027 196 F HN -0.291 nan 8.300 nan 0.000 0.528 197 T N 3.244 117.948 114.554 0.250 0.000 2.903 197 T HA 0.149 4.500 4.350 0.002 0.000 0.299 197 T C 0.058 174.813 174.700 0.091 0.000 1.041 197 T CA 0.860 63.065 62.100 0.174 0.000 1.138 197 T CB 0.156 69.094 68.868 0.116 0.000 1.040 197 T HN 0.044 nan 8.240 nan 0.000 0.524 198 L N 5.960 127.182 121.223 -0.001 0.000 2.354 198 L HA 0.489 4.830 4.340 0.002 0.000 0.264 198 L C -2.150 174.673 176.870 -0.079 0.000 1.008 198 L CA -2.561 52.231 54.840 -0.081 0.000 0.819 198 L CB 2.376 44.303 42.059 -0.221 0.000 1.339 198 L HN 0.415 nan 8.230 nan 0.000 0.420 199 P HA 0.147 nan 4.420 nan 0.000 0.276 199 P C -0.920 176.394 177.300 0.022 0.000 1.243 199 P CA -0.154 62.968 63.100 0.037 0.000 0.768 199 P CB 1.325 33.109 31.700 0.139 0.000 0.856 200 V N 4.766 124.698 119.914 0.030 0.000 2.459 200 V HA 0.309 4.431 4.120 0.002 0.000 0.295 200 V C 0.460 176.539 176.094 -0.027 0.000 1.029 200 V CA -0.648 61.634 62.300 -0.031 0.000 0.874 200 V CB 1.136 32.892 31.823 -0.112 0.000 0.985 200 V HN 0.586 nan 8.190 nan 0.000 0.438 201 H N 3.457 122.339 119.070 -0.313 0.000 2.479 201 H HA 0.608 5.165 4.556 0.002 0.000 0.335 201 H C -1.454 173.547 175.328 -0.546 0.000 1.142 201 H CA -0.264 55.507 56.048 -0.461 0.000 1.234 201 H CB 1.848 31.154 29.762 -0.760 0.000 1.503 201 H HN 0.462 nan 8.280 nan 0.000 0.510 202 F N 0.945 120.841 119.950 -0.091 0.000 2.619 202 F HA 0.165 4.694 4.527 0.002 0.000 0.308 202 F C -0.498 175.286 175.800 -0.026 0.000 1.097 202 F CA -0.653 57.291 58.000 -0.094 0.000 0.953 202 F CB 0.688 39.533 39.000 -0.260 0.000 1.287 202 F HN 0.614 nan 8.300 nan 0.000 0.446 203 Y N 0.257 120.841 120.300 0.473 0.000 2.904 203 Y HA 0.081 4.633 4.550 0.002 0.000 0.466 203 Y C 1.237 177.363 175.900 0.377 0.000 1.202 203 Y CA 0.629 58.914 58.100 0.307 0.000 2.492 203 Y CB -1.808 36.753 38.460 0.169 0.000 1.237 203 Y HN 1.413 nan 8.280 nan 0.000 0.633 204 G N 0.332 109.379 108.800 0.411 0.000 2.660 204 G HA2 0.142 4.104 3.960 0.002 0.000 0.215 204 G HA3 0.142 4.104 3.960 0.002 0.000 0.215 204 G C -0.734 174.369 174.900 0.339 0.000 1.345 204 G CA 0.345 45.635 45.100 0.316 0.000 0.877 204 G HN 1.214 nan 8.290 nan 0.000 0.549 205 R N -1.672 119.037 120.500 0.350 0.000 2.629 205 R HA 0.573 4.914 4.340 0.002 0.000 0.266 205 R C -1.611 174.855 176.300 0.276 0.000 1.051 205 R CA -0.758 55.489 56.100 0.245 0.000 0.895 205 R CB 1.840 32.233 30.300 0.156 0.000 1.246 205 R HN 0.870 nan 8.270 nan 0.000 0.459 206 V N 3.201 123.228 119.914 0.189 0.000 2.333 206 V HA 0.246 4.367 4.120 0.002 0.000 0.274 206 V C -0.145 176.078 176.094 0.215 0.000 1.028 206 V CA -0.443 61.956 62.300 0.165 0.000 0.851 206 V CB 1.165 33.028 31.823 0.067 0.000 1.000 206 V HN 0.739 nan 8.190 nan 0.000 0.456 207 E N 4.477 124.770 120.200 0.155 0.000 2.089 207 E HA 0.216 4.568 4.350 0.002 0.000 0.284 207 E C -0.403 176.275 176.600 0.129 0.000 1.023 207 E CA -0.466 56.021 56.400 0.145 0.000 0.819 207 E CB 0.368 30.123 29.700 0.091 0.000 1.076 207 E HN 0.700 nan 8.360 nan 0.000 0.396 208 H N 3.887 122.971 119.070 0.023 0.000 2.761 208 H HA 0.117 4.674 4.556 0.002 0.000 0.284 208 H C -0.317 175.019 175.328 0.013 0.000 1.105 208 H CA -0.252 55.805 56.048 0.015 0.000 1.352 208 H CB 0.694 30.460 29.762 0.007 0.000 1.423 208 H HN 0.410 nan 8.280 nan 0.000 0.464 209 T N 0.748 115.348 114.554 0.077 0.000 2.809 209 T HA 0.260 4.612 4.350 0.002 0.000 0.296 209 T C 1.073 175.795 174.700 0.036 0.000 1.015 209 T CA -0.090 62.041 62.100 0.051 0.000 0.954 209 T CB 1.538 70.425 68.868 0.032 0.000 0.950 209 T HN 0.794 nan 8.240 nan 0.000 0.450 210 S N 2.860 118.583 115.700 0.037 0.000 4.024 210 S HA -0.436 4.036 4.470 0.002 0.000 0.420 210 S C 1.333 175.949 174.600 0.026 0.000 1.771 210 S CA 1.748 59.965 58.200 0.027 0.000 4.062 210 S CB -1.868 61.344 63.200 0.019 0.000 0.800 210 S HN 0.910 nan 8.310 nan 0.000 0.459 211 Q N 3.492 123.304 119.800 0.019 0.000 2.282 211 Q HA 0.553 4.894 4.340 0.002 0.000 0.206 211 Q C 0.865 176.872 176.000 0.012 0.000 0.878 211 Q CA 1.297 57.110 55.803 0.016 0.000 0.944 211 Q CB 0.603 29.348 28.738 0.011 0.000 1.100 211 Q HN 1.113 nan 8.270 nan 0.000 0.509 212 G N -1.000 107.803 108.800 0.006 0.000 2.825 212 G HA2 0.601 4.563 3.960 0.002 0.000 0.100 212 G HA3 0.601 4.563 3.960 0.002 0.000 0.100 212 G C -1.525 173.320 174.900 -0.092 0.000 1.195 212 G CA -0.100 44.986 45.100 -0.025 0.000 1.317 212 G HN 0.375 nan 8.290 nan 0.000 0.632 213 A N -0.656 122.046 122.820 -0.196 0.000 2.587 213 A HA 0.836 5.157 4.320 0.002 0.000 0.293 213 A C -1.277 176.208 177.584 -0.166 0.000 1.087 213 A CA -0.446 51.370 52.037 -0.368 0.000 0.692 213 A CB 1.875 20.348 19.000 -0.879 0.000 1.291 213 A HN 0.490 nan 8.150 nan 0.000 0.407 214 K N 0.275 120.625 120.400 -0.084 0.000 2.422 214 K HA 0.358 4.679 4.320 0.002 0.000 0.251 214 K C -1.942 174.728 176.600 0.116 0.000 0.933 214 K CA -0.429 55.868 56.287 0.015 0.000 0.798 214 K CB 2.382 34.897 32.500 0.024 0.000 1.238 214 K HN 0.679 nan 8.250 nan 0.000 0.428 215 W N 5.132 126.390 121.300 -0.069 0.000 2.282 215 W HA 0.347 5.008 4.660 0.002 0.000 0.322 215 W C -0.925 175.599 176.519 0.009 0.000 1.011 215 W CA -0.807 56.512 57.345 -0.044 0.000 1.392 215 W CB 0.072 29.486 29.460 -0.077 0.000 1.215 215 W HN 0.231 nan 8.180 nan 0.000 0.394 216 V N 2.986 122.971 119.914 0.118 0.000 2.975 216 V HA 0.551 4.672 4.120 0.002 0.000 0.318 216 V C -0.076 175.995 176.094 -0.038 0.000 1.077 216 V CA -0.919 61.379 62.300 -0.005 0.000 1.000 216 V CB 1.701 33.545 31.823 0.036 0.000 1.066 216 V HN 0.482 nan 8.190 nan 0.000 0.452 217 D N 0.034 120.392 120.400 -0.069 0.000 2.746 217 D HA -0.131 4.511 4.640 0.002 0.000 0.236 217 D C 0.401 176.667 176.300 -0.057 0.000 1.129 217 D CA 1.502 55.475 54.000 -0.044 0.000 0.691 217 D CB -1.573 39.238 40.800 0.018 0.000 1.077 217 D HN 1.206 nan 8.370 nan 0.000 0.432 218 T N -2.971 111.463 114.554 -0.200 0.000 2.859 218 T HA 0.493 4.844 4.350 0.002 0.000 0.281 218 T C 0.208 174.795 174.700 -0.188 0.000 1.005 218 T CA -0.912 61.064 62.100 -0.206 0.000 1.025 218 T CB 2.717 71.236 68.868 -0.581 0.000 0.977 218 T HN 0.172 nan 8.240 nan 0.000 0.458 219 Q N 1.377 121.192 119.800 0.024 0.000 2.392 219 Q HA 0.437 4.778 4.340 0.002 0.000 0.262 219 Q C -1.108 174.869 176.000 -0.038 0.000 1.003 219 Q CA -0.428 55.423 55.803 0.080 0.000 0.888 219 Q CB 0.660 29.579 28.738 0.301 0.000 1.260 219 Q HN 0.635 nan 8.270 nan 0.000 0.435 220 V N 3.912 123.812 119.914 -0.024 0.000 2.715 220 V HA 0.558 4.680 4.120 0.002 0.000 0.310 220 V C -0.689 175.482 176.094 0.128 0.000 1.054 220 V CA -0.597 61.658 62.300 -0.074 0.000 0.928 220 V CB 2.196 33.920 31.823 -0.165 0.000 1.007 220 V HN 0.669 nan 8.190 nan 0.000 0.437 221 V N 4.710 124.722 119.914 0.162 0.000 2.876 221 V HA 0.550 4.671 4.120 0.002 0.000 0.312 221 V C -0.523 175.681 176.094 0.183 0.000 1.085 221 V CA -0.777 61.664 62.300 0.235 0.000 0.945 221 V CB 2.058 34.105 31.823 0.373 0.000 1.017 221 V HN 0.612 nan 8.190 nan 0.000 0.428 222 L N 2.453 123.781 121.223 0.175 0.000 2.343 222 L HA 0.832 5.174 4.340 0.002 0.000 0.275 222 L C 0.269 177.277 176.870 0.230 0.000 1.056 222 L CA -0.574 54.351 54.840 0.141 0.000 0.804 222 L CB 1.647 43.766 42.059 0.099 0.000 1.203 222 L HN 0.804 nan 8.230 nan 0.000 0.440 223 A N 4.263 127.149 122.820 0.111 0.000 2.293 223 A HA 0.591 4.912 4.320 0.002 0.000 0.312 223 A C -0.561 177.155 177.584 0.221 0.000 1.309 223 A CA -0.458 51.622 52.037 0.071 0.000 0.839 223 A CB 0.956 19.618 19.000 -0.563 0.000 1.155 223 A HN 0.776 nan 8.150 nan 0.000 0.501 224 M N 6.165 126.008 119.600 0.405 0.000 2.157 224 M HA 0.470 4.951 4.480 0.002 0.000 0.354 224 M C -2.499 174.133 176.300 0.552 0.000 1.170 224 M CA -1.887 53.649 55.300 0.394 0.000 1.060 224 M CB 1.903 34.672 32.600 0.281 0.000 1.615 224 M HN 0.383 nan 8.290 nan 0.000 0.460 225 P HA 0.224 nan 4.420 nan 0.000 0.286 225 P C -1.949 175.283 177.300 -0.113 0.000 1.261 225 P CA -0.130 63.008 63.100 0.062 0.000 0.821 225 P CB 0.707 32.237 31.700 -0.284 0.000 1.013 226 Y N 0.283 120.504 120.300 -0.132 0.000 2.350 226 Y HA 0.283 4.834 4.550 0.002 0.000 0.338 226 Y C 0.309 176.091 175.900 -0.197 0.000 0.961 226 Y CA -0.325 57.706 58.100 -0.115 0.000 1.100 226 Y CB 1.436 39.874 38.460 -0.036 0.000 1.179 226 Y HN 0.210 nan 8.280 nan 0.000 0.454 227 D N 2.434 122.772 120.400 -0.103 0.000 2.274 227 D HA 0.307 4.949 4.640 0.002 0.000 0.239 227 D C -0.685 175.498 176.300 -0.196 0.000 1.104 227 D CA -0.071 53.795 54.000 -0.224 0.000 0.840 227 D CB 1.413 41.988 40.800 -0.375 0.000 1.100 227 D HN 0.415 nan 8.370 nan 0.000 0.477 228 T N 3.984 118.424 114.554 -0.190 0.000 2.833 228 T HA 0.354 4.706 4.350 0.002 0.000 0.297 228 T C -2.445 172.107 174.700 -0.246 0.000 1.015 228 T CA -1.538 60.481 62.100 -0.136 0.000 0.963 228 T CB 1.829 70.680 68.868 -0.029 0.000 0.955 228 T HN 0.143 nan 8.240 nan 0.000 0.449 229 P HA 0.090 nan 4.420 nan 0.000 0.264 229 P C -0.302 176.886 177.300 -0.187 0.000 1.183 229 P CA -0.191 62.677 63.100 -0.387 0.000 0.763 229 P CB 0.538 32.029 31.700 -0.348 0.000 0.807 230 V N 1.346 121.180 119.914 -0.134 0.000 2.350 230 V HA 0.515 4.636 4.120 0.002 0.000 0.285 230 V C -2.612 173.449 176.094 -0.055 0.000 1.014 230 V CA -2.822 59.420 62.300 -0.097 0.000 0.831 230 V CB 1.583 33.349 31.823 -0.095 0.000 1.000 230 V HN 0.353 nan 8.190 nan 0.000 0.433 231 P HA 0.347 nan 4.420 nan 0.000 0.287 231 P C 0.560 177.854 177.300 -0.010 0.000 1.294 231 P CA 0.540 63.624 63.100 -0.027 0.000 0.776 231 P CB 1.505 33.181 31.700 -0.041 0.000 0.889 232 G N 2.913 111.717 108.800 0.007 0.000 2.667 232 G HA2 0.026 3.988 3.960 0.002 0.000 0.250 232 G HA3 0.026 3.988 3.960 0.002 0.000 0.250 232 G C -0.970 173.957 174.900 0.045 0.000 1.212 232 G CA -0.396 44.726 45.100 0.037 0.000 0.874 232 G HN 0.457 nan 8.290 nan 0.000 0.561 233 Y N 0.541 120.821 120.300 -0.034 0.000 2.680 233 Y HA 0.191 4.742 4.550 0.003 0.000 0.356 233 Y C 1.524 177.399 175.900 -0.041 0.000 1.122 233 Y CA -0.047 58.026 58.100 -0.044 0.000 1.509 233 Y CB -0.137 38.293 38.460 -0.050 0.000 1.245 233 Y HN 0.765 nan 8.280 nan 0.000 0.513 234 R N 1.990 122.164 120.500 -0.545 0.000 3.989 234 R HA -0.333 4.009 4.340 0.002 0.000 0.335 234 R C 0.407 176.584 176.300 -0.205 0.000 1.223 234 R CA 1.601 57.434 56.100 -0.444 0.000 0.962 234 R CB -1.754 28.122 30.300 -0.707 0.000 1.393 234 R HN 0.908 nan 8.270 nan 0.000 0.554 235 N N -0.745 117.887 118.700 -0.112 0.000 2.320 235 N HA 0.026 4.767 4.740 0.002 0.000 0.237 235 N C -0.008 175.472 175.510 -0.051 0.000 1.129 235 N CA -0.059 52.957 53.050 -0.057 0.000 0.854 235 N CB 0.355 38.834 38.487 -0.013 0.000 1.083 235 N HN 0.081 nan 8.380 nan 0.000 0.504 236 N N 0.150 118.812 118.700 -0.064 0.000 2.707 236 N HA -0.188 4.553 4.740 0.002 0.000 0.245 236 N C 0.353 175.842 175.510 -0.036 0.000 1.103 236 N CA 1.223 54.244 53.050 -0.050 0.000 0.882 236 N CB -1.318 37.136 38.487 -0.056 0.000 1.160 236 N HN 0.586 nan 8.380 nan 0.000 0.587 237 V N -2.206 117.696 119.914 -0.020 0.000 3.133 237 V HA 0.622 4.743 4.120 0.002 0.000 0.305 237 V C 0.612 176.713 176.094 0.011 0.000 1.084 237 V CA -0.420 61.878 62.300 -0.003 0.000 1.089 237 V CB 1.943 33.797 31.823 0.051 0.000 1.073 237 V HN -0.075 nan 8.190 nan 0.000 0.477 238 V N 3.588 123.518 119.914 0.026 0.000 2.697 238 V HA 0.465 4.587 4.120 0.002 0.000 0.296 238 V C -0.523 175.641 176.094 0.117 0.000 1.140 238 V CA -0.637 61.711 62.300 0.081 0.000 0.921 238 V CB 1.189 33.113 31.823 0.169 0.000 1.036 238 V HN 1.068 nan 8.190 nan 0.000 0.438 239 N N 1.628 120.351 118.700 0.038 0.000 2.786 239 N HA 0.694 5.435 4.740 0.002 0.000 0.315 239 N C -0.277 175.237 175.510 0.006 0.000 1.359 239 N CA -0.422 52.625 53.050 -0.005 0.000 0.846 239 N CB 0.857 39.271 38.487 -0.122 0.000 1.117 239 N HN 0.644 nan 8.380 nan 0.000 0.541 240 T N 0.483 114.991 114.554 -0.077 0.000 2.952 240 T HA 0.424 4.775 4.350 0.002 0.000 0.305 240 T C -1.014 173.605 174.700 -0.135 0.000 1.064 240 T CA -0.508 61.569 62.100 -0.037 0.000 1.008 240 T CB 1.386 70.416 68.868 0.270 0.000 1.078 240 T HN 0.266 nan 8.240 nan 0.000 0.459 241 M N 3.205 122.677 119.600 -0.212 0.000 2.311 241 M HA 0.712 5.194 4.480 0.002 0.000 0.325 241 M C -1.145 174.970 176.300 -0.308 0.000 1.061 241 M CA -0.854 54.253 55.300 -0.320 0.000 0.957 241 M CB 1.364 33.766 32.600 -0.331 0.000 1.646 241 M HN 0.557 nan 8.290 nan 0.000 0.434 242 R N 5.326 125.568 120.500 -0.430 0.000 2.435 242 R HA 0.561 4.902 4.340 0.002 0.000 0.308 242 R C -2.150 173.919 176.300 -0.386 0.000 0.975 242 R CA -0.452 55.377 56.100 -0.452 0.000 0.867 242 R CB 0.890 30.794 30.300 -0.660 0.000 1.171 242 R HN 0.599 nan 8.270 nan 0.000 0.470 243 L N 3.838 124.920 121.223 -0.235 0.000 2.331 243 L HA 0.589 4.930 4.340 0.002 0.000 0.275 243 L C -0.504 176.334 176.870 -0.054 0.000 1.022 243 L CA -0.839 53.948 54.840 -0.089 0.000 0.812 243 L CB 1.065 43.174 42.059 0.083 0.000 1.257 243 L HN 0.660 nan 8.230 nan 0.000 0.435 244 W N 0.432 121.882 121.300 0.250 0.000 2.478 244 W HA 0.481 5.142 4.660 0.002 0.000 0.318 244 W C 0.431 177.190 176.519 0.401 0.000 1.062 244 W CA -0.499 57.015 57.345 0.282 0.000 1.210 244 W CB 1.655 31.173 29.460 0.096 0.000 1.325 244 W HN 0.418 nan 8.180 nan 0.000 0.496 245 S N 2.601 118.685 115.700 0.641 0.000 2.404 245 S HA 0.614 5.086 4.470 0.002 0.000 0.309 245 S C 0.202 175.092 174.600 0.482 0.000 1.076 245 S CA -0.600 57.860 58.200 0.433 0.000 1.095 245 S CB -0.226 63.230 63.200 0.427 0.000 0.972 245 S HN 0.505 nan 8.310 nan 0.000 0.484 246 A N 5.133 128.130 122.820 0.295 0.000 2.466 246 A HA 0.499 4.820 4.320 0.002 0.000 0.238 246 A C 0.232 177.930 177.584 0.190 0.000 1.074 246 A CA 0.137 52.304 52.037 0.217 0.000 0.774 246 A CB 0.356 19.224 19.000 -0.219 0.000 1.015 246 A HN 0.800 nan 8.150 nan 0.000 0.498 247 K N 0.055 120.576 120.400 0.201 0.000 2.542 247 K HA 0.517 4.839 4.320 0.002 0.000 0.259 247 K C -0.604 176.061 176.600 0.109 0.000 0.932 247 K CA -0.507 55.863 56.287 0.138 0.000 0.820 247 K CB 2.246 34.825 32.500 0.132 0.000 1.345 247 K HN 0.977 nan 8.250 nan 0.000 0.432 248 A N 3.377 126.237 122.820 0.066 0.000 2.498 248 A HA 0.293 4.614 4.320 0.002 0.000 0.239 248 A C -2.289 175.192 177.584 -0.171 0.000 1.068 248 A CA -0.615 51.428 52.037 0.010 0.000 0.766 248 A CB -0.551 18.442 19.000 -0.012 0.000 1.003 248 A HN 0.302 nan 8.150 nan 0.000 0.497 249 P HA 0.089 nan 4.420 nan 0.000 0.269 249 P C -0.140 176.654 177.300 -0.842 0.000 1.215 249 P CA 0.094 62.941 63.100 -0.421 0.000 0.780 249 P CB 0.369 31.942 31.700 -0.211 0.000 0.898 250 N N 0.874 119.277 118.700 -0.495 0.000 2.338 250 N HA 0.033 4.774 4.740 0.002 0.000 0.251 250 N C -0.219 175.162 175.510 -0.214 0.000 1.199 250 N CA -0.067 52.721 53.050 -0.436 0.000 0.879 250 N CB 0.176 38.540 38.487 -0.205 0.000 1.159 250 N HN 0.341 nan 8.380 nan 0.000 0.514 251 D N 0.213 120.503 120.400 -0.184 0.000 2.312 251 D HA -0.058 4.583 4.640 0.002 0.000 0.211 251 D C 0.056 176.516 176.300 0.267 0.000 0.964 251 D CA 0.664 54.712 54.000 0.079 0.000 0.877 251 D CB 0.017 40.895 40.800 0.129 0.000 0.924 251 D HN 0.200 nan 8.370 nan 0.000 0.515 252 F N 1.750 121.728 119.950 0.047 0.000 2.552 252 F HA 0.168 4.697 4.527 0.002 0.000 0.342 252 F C 1.102 176.924 175.800 0.036 0.000 1.257 252 F CA -0.399 57.629 58.000 0.046 0.000 1.058 252 F CB -1.252 37.776 39.000 0.046 0.000 1.288 252 F HN 0.048 nan 8.300 nan 0.000 0.627 253 N N 0.159 118.978 118.700 0.197 0.000 2.551 253 N HA 0.005 4.747 4.740 0.002 0.000 0.308 253 N C 0.175 175.724 175.510 0.066 0.000 0.661 253 N CA -0.077 53.036 53.050 0.105 0.000 1.102 253 N CB 0.267 38.800 38.487 0.077 0.000 2.103 253 N HN 0.150 nan 8.380 nan 0.000 1.533 254 L N -0.819 120.448 121.223 0.073 0.000 2.860 254 L HA 0.391 4.732 4.340 0.002 0.000 0.251 254 L C 0.277 177.230 176.870 0.138 0.000 1.041 254 L CA 0.014 54.878 54.840 0.040 0.000 0.985 254 L CB 0.072 42.127 42.059 -0.006 0.000 1.656 254 L HN 0.160 nan 8.230 nan 0.000 0.526 255 K N 1.642 122.140 120.400 0.164 0.000 2.307 255 K HA 0.049 4.370 4.320 0.002 0.000 0.285 255 K C -0.578 176.158 176.600 0.227 0.000 1.073 255 K CA 0.905 57.319 56.287 0.210 0.000 0.996 255 K CB 0.141 32.723 32.500 0.136 0.000 0.994 255 K HN 0.246 nan 8.250 nan 0.000 0.452 256 D N 2.844 123.436 120.400 0.320 0.000 4.385 256 D HA -0.100 4.542 4.640 0.002 0.000 0.163 256 D C -0.667 175.853 176.300 0.367 0.000 0.395 256 D CA 0.186 54.327 54.000 0.235 0.000 0.606 256 D CB -0.595 40.310 40.800 0.175 0.000 1.628 256 D HN 0.490 nan 8.370 nan 0.000 0.070 257 F N -0.103 119.865 119.950 0.030 0.000 3.018 257 F HA -0.235 4.293 4.527 0.002 0.000 0.287 257 F C 1.147 176.957 175.800 0.017 0.000 0.813 257 F CA 1.241 59.254 58.000 0.021 0.000 1.209 257 F CB -2.412 36.597 39.000 0.016 0.000 1.321 257 F HN 0.310 nan 8.300 nan 0.000 0.477 258 N N -0.114 118.688 118.700 0.170 0.000 2.482 258 N HA 0.197 4.938 4.740 0.002 0.000 0.179 258 N C 0.903 176.453 175.510 0.065 0.000 1.039 258 N CA 1.129 54.232 53.050 0.088 0.000 0.884 258 N CB -0.544 37.971 38.487 0.045 0.000 1.113 258 N HN 0.279 nan 8.380 nan 0.000 0.440 259 V N -3.313 116.638 119.914 0.061 0.000 4.735 259 V HA 0.784 4.905 4.120 0.002 0.000 0.274 259 V C 1.855 177.948 176.094 -0.001 0.000 1.331 259 V CA -0.146 62.179 62.300 0.041 0.000 0.760 259 V CB -0.313 31.539 31.823 0.049 0.000 1.280 259 V HN 0.427 nan 8.190 nan 0.000 0.416 260 G N -0.081 108.700 108.800 -0.031 0.000 5.266 260 G HA2 -0.292 3.669 3.960 0.002 0.000 0.262 260 G HA3 -0.292 3.669 3.960 0.002 0.000 0.262 260 G C 1.276 176.118 174.900 -0.097 0.000 1.359 260 G CA 0.995 46.049 45.100 -0.076 0.000 0.955 260 G HN 1.711 nan 8.290 nan 0.000 0.754 261 G N -1.100 107.656 108.800 -0.072 0.000 2.394 261 G HA2 0.275 4.236 3.960 0.002 0.000 0.215 261 G HA3 0.275 4.236 3.960 0.002 0.000 0.215 261 G C 0.454 175.305 174.900 -0.080 0.000 1.165 261 G CA 1.532 46.592 45.100 -0.066 0.000 0.784 261 G HN 0.853 nan 8.290 nan 0.000 0.535 262 Y N 0.064 120.348 120.300 -0.028 0.000 2.317 262 Y HA 0.320 4.871 4.550 0.002 0.000 0.329 262 Y C 0.574 176.452 175.900 -0.036 0.000 1.101 262 Y CA -1.652 56.431 58.100 -0.029 0.000 1.228 262 Y CB 1.057 39.499 38.460 -0.030 0.000 1.123 262 Y HN 0.175 nan 8.280 nan 0.000 0.457 263 I N 1.441 122.095 120.570 0.140 0.000 3.688 263 I HA 0.025 4.196 4.170 0.002 0.000 0.307 263 I C 1.266 177.494 176.117 0.186 0.000 1.287 263 I CA 0.367 61.735 61.300 0.114 0.000 1.192 263 I CB -0.077 37.946 38.000 0.038 0.000 1.043 263 I HN 0.618 nan 8.210 nan 0.000 0.442 264 Q N 1.581 121.583 119.800 0.337 0.000 2.364 264 Q HA -0.021 4.320 4.340 0.002 0.000 0.207 264 Q C 1.696 177.705 176.000 0.015 0.000 0.970 264 Q CA 1.115 57.003 55.803 0.142 0.000 0.888 264 Q CB -0.271 28.416 28.738 -0.084 0.000 0.951 264 Q HN 0.658 nan 8.270 nan 0.000 0.469 265 A N 0.993 123.794 122.820 -0.032 0.000 2.310 265 A HA 0.191 4.512 4.320 0.002 0.000 0.230 265 A C 1.706 179.222 177.584 -0.114 0.000 1.294 265 A CA -0.112 51.843 52.037 -0.136 0.000 0.898 265 A CB -0.257 18.579 19.000 -0.273 0.000 0.917 265 A HN 0.225 nan 8.150 nan 0.000 0.491 266 V N -0.537 119.380 119.914 0.005 0.000 2.594 266 V HA -0.237 3.884 4.120 0.002 0.000 0.253 266 V C 2.400 178.535 176.094 0.067 0.000 1.069 266 V CA 1.826 64.169 62.300 0.073 0.000 1.082 266 V CB -0.585 31.282 31.823 0.073 0.000 0.680 266 V HN 0.727 nan 8.190 nan 0.000 0.469 267 L N -0.266 120.972 121.223 0.024 0.000 1.948 267 L HA -0.201 4.140 4.340 0.002 0.000 0.212 267 L C 2.569 179.457 176.870 0.029 0.000 1.074 267 L CA 2.223 57.075 54.840 0.019 0.000 0.753 267 L CB -0.805 41.249 42.059 -0.009 0.000 0.888 267 L HN 0.349 nan 8.230 nan 0.000 0.432 268 D N 0.057 120.448 120.400 -0.015 0.000 2.248 268 D HA -0.314 4.327 4.640 0.002 0.000 0.189 268 D C 2.240 178.635 176.300 0.158 0.000 1.011 268 D CA 1.746 55.758 54.000 0.019 0.000 0.868 268 D CB -0.155 40.560 40.800 -0.142 0.000 0.931 268 D HN 0.115 nan 8.370 nan 0.000 0.449 269 R N 0.373 121.025 120.500 0.253 0.000 2.112 269 R HA -0.150 4.192 4.340 0.002 0.000 0.242 269 R C 2.088 178.502 176.300 0.190 0.000 1.137 269 R CA 1.610 57.920 56.100 0.350 0.000 0.944 269 R CB -0.613 29.919 30.300 0.388 0.000 0.857 269 R HN 0.351 nan 8.270 nan 0.000 0.435 270 N N 0.307 119.084 118.700 0.130 0.000 2.457 270 N HA -0.040 4.702 4.740 0.002 0.000 0.180 270 N C 1.757 177.314 175.510 0.078 0.000 1.050 270 N CA 0.403 53.509 53.050 0.093 0.000 0.906 270 N CB 0.177 38.706 38.487 0.069 0.000 0.968 270 N HN 0.273 nan 8.380 nan 0.000 0.445 271 L N 0.179 121.448 121.223 0.077 0.000 2.313 271 L HA 0.039 4.381 4.340 0.002 0.000 0.214 271 L C 2.351 179.255 176.870 0.056 0.000 1.119 271 L CA 0.269 55.144 54.840 0.058 0.000 0.809 271 L CB -0.228 41.859 42.059 0.047 0.000 0.933 271 L HN 0.070 nan 8.230 nan 0.000 0.449 272 A N 0.467 123.345 122.820 0.095 0.000 1.843 272 A HA -0.138 4.184 4.320 0.002 0.000 0.213 272 A C 2.115 179.735 177.584 0.061 0.000 1.202 272 A CA 0.955 53.055 52.037 0.105 0.000 0.607 272 A CB -0.384 18.727 19.000 0.184 0.000 0.847 272 A HN 0.335 nan 8.150 nan 0.000 0.445 273 E N 0.851 121.099 120.200 0.080 0.000 2.114 273 E HA -0.231 4.121 4.350 0.002 0.000 0.199 273 E C 0.968 177.590 176.600 0.036 0.000 1.008 273 E CA 1.402 57.841 56.400 0.065 0.000 0.810 273 E CB -0.520 29.234 29.700 0.089 0.000 0.739 273 E HN 0.920 nan 8.360 nan 0.000 0.456 274 N N 0.640 119.363 118.700 0.038 0.000 2.509 274 N HA 0.050 4.791 4.740 0.002 0.000 0.239 274 N C 1.069 176.572 175.510 -0.011 0.000 1.215 274 N CA -0.131 52.938 53.050 0.031 0.000 0.882 274 N CB 0.111 38.629 38.487 0.050 0.000 1.189 274 N HN 0.170 nan 8.380 nan 0.000 0.490 275 I N -0.653 119.862 120.570 -0.091 0.000 2.731 275 I HA -0.086 4.085 4.170 0.002 0.000 0.260 275 I C 2.198 178.161 176.117 -0.257 0.000 1.138 275 I CA 0.503 61.683 61.300 -0.201 0.000 1.461 275 I CB 0.152 37.927 38.000 -0.375 0.000 1.128 275 I HN 0.283 nan 8.210 nan 0.000 0.438 276 S N 0.371 115.945 115.700 -0.211 0.000 2.517 276 S HA 0.080 4.551 4.470 0.002 0.000 0.214 276 S C 1.988 176.614 174.600 0.042 0.000 0.991 276 S CA 0.130 58.245 58.200 -0.142 0.000 0.906 276 S CB -0.033 63.117 63.200 -0.084 0.000 0.789 276 S HN 0.206 nan 8.310 nan 0.000 0.513 277 R N -0.028 120.537 120.500 0.110 0.000 2.120 277 R HA 0.106 4.447 4.340 0.002 0.000 0.234 277 R C 0.398 176.906 176.300 0.347 0.000 1.123 277 R CA 1.250 57.520 56.100 0.283 0.000 0.975 277 R CB 0.070 30.492 30.300 0.203 0.000 0.866 277 R HN 0.345 nan 8.270 nan 0.000 0.446 278 V N -0.578 119.462 119.914 0.210 0.000 3.178 278 V HA 0.300 4.421 4.120 0.002 0.000 0.302 278 V C -1.398 174.629 176.094 -0.113 0.000 1.262 278 V CA -1.050 61.313 62.300 0.105 0.000 1.030 278 V CB 2.087 33.889 31.823 -0.036 0.000 1.074 278 V HN 0.007 nan 8.190 nan 0.000 0.438 279 L N 3.036 124.015 121.223 -0.407 0.000 2.439 279 L HA 0.599 4.941 4.340 0.002 0.000 0.259 279 L C -1.433 175.284 176.870 -0.254 0.000 1.129 279 L CA -0.424 54.072 54.840 -0.573 0.000 0.803 279 L CB 1.320 42.949 42.059 -0.718 0.000 1.161 279 L HN 0.692 nan 8.230 nan 0.000 0.462 280 Y N 2.714 122.989 120.300 -0.041 0.000 2.328 280 Y HA 0.482 5.033 4.550 0.002 0.000 0.336 280 Y C -1.800 174.086 175.900 -0.023 0.000 0.960 280 Y CA -2.577 55.525 58.100 0.003 0.000 1.134 280 Y CB 0.647 39.135 38.460 0.046 0.000 1.166 280 Y HN 0.486 nan 8.280 nan 0.000 0.464 281 P HA 0.735 nan 4.420 nan 0.000 0.347 281 P C -0.875 176.511 177.300 0.143 0.000 1.277 281 P CA -0.295 62.923 63.100 0.197 0.000 0.796 281 P CB 1.209 33.077 31.700 0.280 0.000 1.787 288 G N 0.788 109.562 108.800 -0.043 0.000 2.494 288 G HA2 0.384 4.346 3.960 0.002 0.000 0.297 288 G HA3 0.384 4.346 3.960 0.002 0.000 0.297 288 G C -0.624 174.425 174.900 0.248 0.000 0.971 288 G CA 0.070 45.238 45.100 0.112 0.000 1.378 288 G HN 0.244 nan 8.290 nan 0.000 0.456 289 K N 2.043 122.650 120.400 0.346 0.000 2.292 289 K HA 0.231 4.553 4.320 0.002 0.000 0.257 289 K C 1.006 177.747 176.600 0.236 0.000 0.940 289 K CA -0.758 55.655 56.287 0.210 0.000 0.811 289 K CB 1.416 33.963 32.500 0.079 0.000 1.120 289 K HN 0.346 nan 8.250 nan 0.000 0.428 290 E N 3.227 123.495 120.200 0.114 0.000 2.171 290 E HA -0.222 4.130 4.350 0.002 0.000 0.197 290 E C 1.319 177.917 176.600 -0.002 0.000 0.997 290 E CA 1.262 57.669 56.400 0.013 0.000 0.810 290 E CB 0.192 29.910 29.700 0.030 0.000 0.738 290 E HN 0.682 nan 8.360 nan 0.000 0.467 291 L N 0.274 121.544 121.223 0.077 0.000 2.109 291 L HA -0.145 4.197 4.340 0.002 0.000 0.207 291 L C 2.675 179.665 176.870 0.201 0.000 1.086 291 L CA 0.713 55.624 54.840 0.118 0.000 0.760 291 L CB -0.117 42.077 42.059 0.223 0.000 0.910 291 L HN 0.072 nan 8.230 nan 0.000 0.437 292 R N -0.360 120.315 120.500 0.291 0.000 2.083 292 R HA -0.225 4.116 4.340 0.002 0.000 0.237 292 R C 2.148 178.645 176.300 0.328 0.000 1.137 292 R CA 1.534 57.874 56.100 0.401 0.000 0.951 292 R CB -0.823 29.782 30.300 0.507 0.000 0.851 292 R HN 0.275 nan 8.270 nan 0.000 0.434 293 L N 1.712 122.988 121.223 0.089 0.000 2.046 293 L HA -0.173 4.169 4.340 0.002 0.000 0.208 293 L C 2.170 179.023 176.870 -0.028 0.000 1.077 293 L CA 1.812 56.475 54.840 -0.296 0.000 0.747 293 L CB -0.238 41.245 42.059 -0.959 0.000 0.896 293 L HN 0.019 nan 8.230 nan 0.000 0.432 294 K N -1.045 119.340 120.400 -0.026 0.000 2.063 294 K HA -0.221 4.100 4.320 0.002 0.000 0.208 294 K C 2.160 178.909 176.600 0.249 0.000 1.048 294 K CA 1.830 58.139 56.287 0.036 0.000 0.928 294 K CB -0.178 32.199 32.500 -0.205 0.000 0.713 294 K HN 0.501 nan 8.250 nan 0.000 0.442 295 Q N 0.356 120.273 119.800 0.194 0.000 2.119 295 Q HA -0.167 4.175 4.340 0.002 0.000 0.201 295 Q C 1.830 178.004 176.000 0.290 0.000 0.972 295 Q CA 1.298 57.226 55.803 0.209 0.000 0.847 295 Q CB 0.117 28.972 28.738 0.195 0.000 0.903 295 Q HN 0.400 nan 8.270 nan 0.000 0.433 296 E N -0.216 120.148 120.200 0.274 0.000 2.028 296 E HA -0.202 4.149 4.350 0.002 0.000 0.191 296 E C 1.745 178.461 176.600 0.192 0.000 0.988 296 E CA 0.966 57.516 56.400 0.250 0.000 0.799 296 E CB -0.236 29.624 29.700 0.266 0.000 0.755 296 E HN 0.290 nan 8.360 nan 0.000 0.447 297 Y N 0.965 121.346 120.300 0.134 0.000 2.128 297 Y HA -0.304 4.248 4.550 0.002 0.000 0.284 297 Y C 2.066 178.027 175.900 0.102 0.000 1.154 297 Y CA 1.670 59.809 58.100 0.066 0.000 1.149 297 Y CB -0.493 38.017 38.460 0.083 0.000 0.976 297 Y HN 0.066 nan 8.280 nan 0.000 0.505 298 F N -0.457 119.499 119.950 0.010 0.000 2.025 298 F HA -0.285 4.243 4.527 0.002 0.000 0.297 298 F C 2.486 178.162 175.800 -0.206 0.000 1.132 298 F CA 2.232 60.190 58.000 -0.071 0.000 1.191 298 F CB -1.219 37.860 39.000 0.132 0.000 0.963 298 F HN -0.091 nan 8.300 nan 0.000 0.481 299 V N 0.217 120.235 119.914 0.173 0.000 2.282 299 V HA -0.309 3.812 4.120 0.002 0.000 0.249 299 V C 2.292 178.294 176.094 -0.154 0.000 1.057 299 V CA 2.128 64.462 62.300 0.058 0.000 1.032 299 V CB -0.543 31.452 31.823 0.287 0.000 0.645 299 V HN 0.376 nan 8.190 nan 0.000 0.447 300 V N 0.338 120.136 119.914 -0.193 0.000 2.231 300 V HA -0.300 3.821 4.120 0.002 0.000 0.248 300 V C 2.733 178.563 176.094 -0.441 0.000 1.054 300 V CA 2.554 64.692 62.300 -0.269 0.000 1.015 300 V CB -1.427 30.230 31.823 -0.276 0.000 0.638 300 V HN 0.656 nan 8.190 nan 0.000 0.444 301 A N -0.239 122.175 122.820 -0.676 0.000 1.873 301 A HA -0.027 4.294 4.320 0.002 0.000 0.215 301 A C 2.394 179.610 177.584 -0.613 0.000 1.186 301 A CA 1.976 53.627 52.037 -0.643 0.000 0.616 301 A CB -0.896 17.604 19.000 -0.833 0.000 0.823 301 A HN 0.603 nan 8.150 nan 0.000 0.442 302 A N -1.271 121.016 122.820 -0.888 0.000 1.972 302 A HA -0.080 4.241 4.320 0.002 0.000 0.219 302 A C 2.261 179.356 177.584 -0.815 0.000 1.169 302 A CA 2.248 53.620 52.037 -1.109 0.000 0.635 302 A CB -1.149 16.604 19.000 -2.077 0.000 0.810 302 A HN 0.416 nan 8.150 nan 0.000 0.446 303 T N -0.315 113.901 114.554 -0.563 0.000 2.777 303 T HA -0.075 4.276 4.350 0.002 0.000 0.266 303 T C 1.629 176.077 174.700 -0.421 0.000 1.040 303 T CA 1.430 63.327 62.100 -0.339 0.000 1.141 303 T CB -0.239 68.459 68.868 -0.284 0.000 0.868 303 T HN 0.238 nan 8.240 nan 0.000 0.444 304 L N 0.953 121.974 121.223 -0.336 0.000 2.465 304 L HA 0.098 4.440 4.340 0.002 0.000 0.224 304 L C 2.258 179.024 176.870 -0.173 0.000 1.145 304 L CA 1.355 56.052 54.840 -0.238 0.000 0.834 304 L CB -0.449 41.506 42.059 -0.174 0.000 0.944 304 L HN 0.293 nan 8.230 nan 0.000 0.451 305 Q N -1.430 118.256 119.800 -0.189 0.000 2.134 305 Q HA -0.118 4.224 4.340 0.002 0.000 0.195 305 Q C 1.596 177.562 176.000 -0.057 0.000 0.958 305 Q CA 1.058 56.795 55.803 -0.111 0.000 0.840 305 Q CB -0.014 28.637 28.738 -0.145 0.000 0.918 305 Q HN 0.316 nan 8.270 nan 0.000 0.467 306 D N 1.185 121.558 120.400 -0.045 0.000 2.106 306 D HA -0.168 4.473 4.640 0.002 0.000 0.191 306 D C 1.831 178.083 176.300 -0.080 0.000 0.997 306 D CA 1.054 55.068 54.000 0.024 0.000 0.834 306 D CB -0.197 40.657 40.800 0.090 0.000 0.956 306 D HN 0.151 nan 8.370 nan 0.000 0.448 307 I N 0.585 120.972 120.570 -0.305 0.000 2.053 307 I HA -0.317 3.854 4.170 0.002 0.000 0.236 307 I C 2.568 178.728 176.117 0.072 0.000 1.038 307 I CA 1.073 62.168 61.300 -0.341 0.000 1.304 307 I CB -0.332 37.389 38.000 -0.465 0.000 1.023 307 I HN 0.022 nan 8.210 nan 0.000 0.395 308 I N 0.167 120.817 120.570 0.135 0.000 2.264 308 I HA -0.343 3.829 4.170 0.002 0.000 0.248 308 I C 2.836 179.102 176.117 0.248 0.000 1.111 308 I CA 1.265 62.704 61.300 0.233 0.000 1.382 308 I CB -0.365 37.691 38.000 0.093 0.000 1.060 308 I HN 0.266 nan 8.210 nan 0.000 0.418 309 R N 1.144 121.738 120.500 0.155 0.000 2.082 309 R HA -0.216 4.125 4.340 0.002 0.000 0.234 309 R C 2.420 178.829 176.300 0.181 0.000 1.136 309 R CA 1.780 57.974 56.100 0.155 0.000 0.935 309 R CB -0.245 30.141 30.300 0.142 0.000 0.842 309 R HN 0.236 nan 8.270 nan 0.000 0.430 310 R N -0.659 119.951 120.500 0.183 0.000 2.120 310 R HA -0.151 4.190 4.340 0.002 0.000 0.234 310 R C 2.176 178.565 176.300 0.149 0.000 1.123 310 R CA 1.510 57.704 56.100 0.156 0.000 0.975 310 R CB -0.402 29.984 30.300 0.144 0.000 0.866 310 R HN 0.275 nan 8.270 nan 0.000 0.446 311 F N 1.796 121.759 119.950 0.022 0.000 2.171 311 F HA -0.152 4.376 4.527 0.002 0.000 0.300 311 F C 1.642 177.355 175.800 -0.145 0.000 1.090 311 F CA 1.460 59.383 58.000 -0.127 0.000 1.293 311 F CB 0.094 39.096 39.000 0.003 0.000 1.013 311 F HN -0.175 nan 8.300 nan 0.000 0.486 312 K N 0.113 120.533 120.400 0.034 0.000 1.992 312 K HA -0.079 4.242 4.320 0.002 0.000 0.210 312 K C 2.321 178.958 176.600 0.061 0.000 1.036 312 K CA 1.438 57.726 56.287 0.001 0.000 0.946 312 K CB -0.734 31.822 32.500 0.094 0.000 0.742 312 K HN 0.286 nan 8.250 nan 0.000 0.442 313 S N 1.165 116.929 115.700 0.107 0.000 2.402 313 S HA -0.094 4.378 4.470 0.002 0.000 0.233 313 S C 1.304 176.005 174.600 0.168 0.000 1.030 313 S CA 0.925 59.211 58.200 0.144 0.000 1.003 313 S CB -0.329 62.985 63.200 0.191 0.000 0.813 313 S HN 0.019 nan 8.310 nan 0.000 0.477 314 S N 2.183 117.911 115.700 0.046 0.000 3.900 314 S HA 0.362 4.833 4.470 0.002 0.000 0.248 314 S C 0.548 175.129 174.600 -0.032 0.000 1.310 314 S CA -0.269 57.807 58.200 -0.207 0.000 0.915 314 S CB -0.122 62.714 63.200 -0.606 0.000 1.588 314 S HN 0.425 nan 8.310 nan 0.000 0.472 315 K N 0.636 121.093 120.400 0.096 0.000 7.382 315 K HA -0.280 4.041 4.320 0.002 0.000 0.476 315 K C 0.770 177.392 176.600 0.037 0.000 0.371 315 K CA 2.121 58.453 56.287 0.073 0.000 1.942 315 K CB -1.942 30.591 32.500 0.055 0.000 0.717 315 K HN 0.505 nan 8.250 nan 0.000 0.835 316 F N 1.306 121.172 119.950 -0.141 0.000 2.354 316 F HA -0.157 4.372 4.527 0.002 0.000 0.300 316 F C 1.943 177.598 175.800 -0.241 0.000 1.052 316 F CA 2.106 59.965 58.000 -0.236 0.000 1.425 316 F CB -0.467 38.309 39.000 -0.373 0.000 1.095 316 F HN 0.273 nan 8.300 nan 0.000 0.560 317 G N -0.943 107.853 108.800 -0.007 0.000 2.442 317 G HA2 -0.282 3.679 3.960 0.002 0.000 0.219 317 G HA3 -0.282 3.679 3.960 0.002 0.000 0.219 317 G C 1.567 176.408 174.900 -0.099 0.000 1.141 317 G CA 1.132 46.210 45.100 -0.037 0.000 0.763 317 G HN 0.500 nan 8.290 nan 0.000 0.554 318 C N -0.484 118.751 119.300 -0.109 0.000 2.634 318 C HA 0.369 4.831 4.460 0.002 0.000 0.268 318 C C 1.516 176.386 174.990 -0.199 0.000 1.322 318 C CA -0.690 58.257 59.018 -0.118 0.000 1.737 318 C CB -0.412 27.285 27.740 -0.072 0.000 1.976 318 C HN 0.261 nan 8.230 nan 0.000 0.547 319 R N 1.961 122.260 120.500 -0.334 0.000 3.436 319 R HA 0.070 4.411 4.340 0.002 0.000 0.247 319 R C 0.623 176.458 176.300 -0.774 0.000 1.434 319 R CA 0.164 55.965 56.100 -0.499 0.000 1.543 319 R CB -0.329 29.637 30.300 -0.558 0.000 1.289 319 R HN 0.432 nan 8.270 nan 0.000 0.664 320 D N 1.894 122.021 120.400 -0.455 0.000 2.183 320 D HA -0.006 4.636 4.640 0.002 0.000 0.205 320 D C -1.061 175.068 176.300 -0.284 0.000 0.962 320 D CA -0.005 53.771 54.000 -0.373 0.000 0.849 320 D CB -0.117 40.582 40.800 -0.167 0.000 0.978 320 D HN 0.167 nan 8.370 nan 0.000 0.488 321 P HA -0.264 nan 4.420 nan 0.000 0.231 321 P C 0.159 177.430 177.300 -0.047 0.000 0.788 321 P CA 1.782 64.819 63.100 -0.106 0.000 1.121 321 P CB -0.068 31.577 31.700 -0.092 0.000 0.601 322 V N -1.375 118.530 119.914 -0.015 0.000 2.655 322 V HA 0.514 4.636 4.120 0.002 0.000 0.301 322 V C -0.317 175.822 176.094 0.076 0.000 1.082 322 V CA -0.624 61.694 62.300 0.031 0.000 0.899 322 V CB 1.531 33.380 31.823 0.044 0.000 1.014 322 V HN 0.199 nan 8.190 nan 0.000 0.429 323 R N 2.979 123.535 120.500 0.092 0.000 4.000 323 R HA -0.157 4.184 4.340 0.002 0.000 0.362 323 R C 0.606 177.027 176.300 0.201 0.000 1.183 323 R CA 1.138 57.337 56.100 0.164 0.000 1.011 323 R CB -3.365 27.074 30.300 0.232 0.000 1.501 323 R HN 1.705 nan 8.270 nan 0.000 0.553 324 T N -0.405 114.204 114.554 0.092 0.000 3.720 324 T HA -0.232 4.119 4.350 0.002 0.000 0.381 324 T C 0.328 175.090 174.700 0.104 0.000 0.763 324 T CA 0.866 62.996 62.100 0.049 0.000 1.957 324 T CB -1.177 67.698 68.868 0.013 0.000 1.767 324 T HN 0.414 nan 8.240 nan 0.000 0.743 325 N N 0.203 119.022 118.700 0.199 0.000 2.412 325 N HA 0.082 4.824 4.740 0.002 0.000 0.258 325 N C 0.863 176.596 175.510 0.372 0.000 1.236 325 N CA 0.011 53.226 53.050 0.274 0.000 0.882 325 N CB 0.073 38.710 38.487 0.251 0.000 1.066 325 N HN 0.354 nan 8.380 nan 0.000 0.465 326 F N 0.736 120.915 119.950 0.381 0.000 2.771 326 F HA -0.038 4.490 4.527 0.002 0.000 0.299 326 F C 1.988 177.904 175.800 0.193 0.000 1.177 326 F CA 0.157 58.258 58.000 0.168 0.000 1.450 326 F CB 0.123 39.066 39.000 -0.094 0.000 1.114 326 F HN 0.464 nan 8.300 nan 0.000 0.587 327 D N 0.206 120.787 120.400 0.301 0.000 2.149 327 D HA -0.050 4.591 4.640 0.002 0.000 0.201 327 D C 2.210 178.642 176.300 0.221 0.000 0.972 327 D CA 1.078 55.210 54.000 0.219 0.000 0.835 327 D CB 0.026 40.933 40.800 0.178 0.000 0.966 327 D HN 0.232 nan 8.370 nan 0.000 0.476 328 A N -0.534 122.480 122.820 0.324 0.000 2.238 328 A HA 0.003 4.324 4.320 0.002 0.000 0.208 328 A C 1.614 179.382 177.584 0.307 0.000 1.177 328 A CA -0.121 52.131 52.037 0.358 0.000 0.804 328 A CB -0.504 18.846 19.000 0.583 0.000 0.823 328 A HN 0.101 nan 8.150 nan 0.000 0.482 329 F N 2.050 121.955 119.950 -0.074 0.000 2.039 329 F HA -0.030 4.499 4.527 0.002 0.000 0.294 329 F C -0.469 175.198 175.800 -0.220 0.000 1.130 329 F CA 1.700 59.379 58.000 -0.536 0.000 1.189 329 F CB -0.755 37.875 39.000 -0.616 0.000 0.983 329 F HN 0.180 nan 8.300 nan 0.000 0.471 330 P HA -0.104 nan 4.420 nan 0.000 0.228 330 P C 0.647 177.883 177.300 -0.106 0.000 1.151 330 P CA 1.384 64.399 63.100 -0.142 0.000 0.770 330 P CB -0.041 31.625 31.700 -0.057 0.000 0.786 331 D N 1.079 121.449 120.400 -0.049 0.000 2.084 331 D HA -0.067 4.574 4.640 0.002 0.000 0.199 331 D C 1.497 177.762 176.300 -0.059 0.000 0.981 331 D CA 1.323 55.310 54.000 -0.021 0.000 0.841 331 D CB -0.362 40.463 40.800 0.043 0.000 0.997 331 D HN 0.220 nan 8.370 nan 0.000 0.454 332 K N -0.129 120.231 120.400 -0.067 0.000 2.437 332 K HA 0.243 4.564 4.320 0.002 0.000 0.198 332 K C -0.400 176.071 176.600 -0.215 0.000 1.024 332 K CA -0.084 56.147 56.287 -0.092 0.000 1.148 332 K CB 1.272 33.794 32.500 0.037 0.000 0.860 332 K HN -0.094 nan 8.250 nan 0.000 0.515 333 V N -0.087 119.599 119.914 -0.381 0.000 3.114 333 V HA 0.758 4.879 4.120 0.002 0.000 0.308 333 V C -1.639 174.260 176.094 -0.326 0.000 1.168 333 V CA -0.963 61.084 62.300 -0.420 0.000 1.015 333 V CB 2.230 33.543 31.823 -0.849 0.000 1.050 333 V HN 0.114 nan 8.190 nan 0.000 0.433 334 A N 3.500 126.187 122.820 -0.222 0.000 2.566 334 A HA 0.891 5.212 4.320 0.002 0.000 0.297 334 A C -1.680 175.852 177.584 -0.086 0.000 1.059 334 A CA -0.333 51.623 52.037 -0.134 0.000 0.691 334 A CB 1.466 20.376 19.000 -0.151 0.000 1.282 334 A HN 0.658 nan 8.150 nan 0.000 0.401 335 I N 0.945 121.510 120.570 -0.009 0.000 2.785 335 I HA 0.440 4.612 4.170 0.002 0.000 0.302 335 I C -0.781 175.365 176.117 0.047 0.000 1.069 335 I CA -0.687 60.651 61.300 0.063 0.000 1.045 335 I CB 2.365 40.415 38.000 0.083 0.000 1.236 335 I HN 0.563 nan 8.210 nan 0.000 0.429 336 Q N 4.745 124.590 119.800 0.076 0.000 2.325 336 Q HA 0.376 4.718 4.340 0.002 0.000 0.270 336 Q C -1.258 174.788 176.000 0.077 0.000 1.020 336 Q CA -1.031 54.857 55.803 0.141 0.000 0.785 336 Q CB 2.366 31.264 28.738 0.267 0.000 1.259 336 Q HN 0.360 nan 8.270 nan 0.000 0.452 337 L N 3.602 124.913 121.223 0.147 0.000 2.448 337 L HA 0.111 4.452 4.340 0.002 0.000 0.278 337 L C 0.512 177.508 176.870 0.209 0.000 1.201 337 L CA -0.004 54.930 54.840 0.156 0.000 1.036 337 L CB -0.831 41.343 42.059 0.191 0.000 1.325 337 L HN 0.356 nan 8.230 nan 0.000 0.441 338 N N 3.676 122.381 118.700 0.007 0.000 2.671 338 N HA 0.123 4.865 4.740 0.002 0.000 0.274 338 N C -0.607 175.025 175.510 0.204 0.000 1.188 338 N CA 0.399 53.493 53.050 0.073 0.000 1.065 338 N CB -0.230 38.113 38.487 -0.240 0.000 1.415 338 N HN 0.466 nan 8.380 nan 0.000 0.511 339 D N -0.284 120.339 120.400 0.371 0.000 10.650 339 D HA -0.180 4.461 4.640 0.002 0.000 0.339 339 D C 0.564 176.941 176.300 0.129 0.000 3.145 339 D CA 0.958 55.141 54.000 0.305 0.000 2.685 339 D CB -0.342 40.469 40.800 0.018 0.000 1.243 339 D HN 0.478 nan 8.370 nan 0.000 0.948 340 T N -0.213 114.350 114.554 0.015 0.000 2.969 340 T HA -0.216 4.135 4.350 0.002 0.000 0.271 340 T C 1.607 176.267 174.700 -0.068 0.000 1.127 340 T CA 2.106 64.136 62.100 -0.116 0.000 1.102 340 T CB -0.619 68.193 68.868 -0.094 0.000 0.855 340 T HN 0.594 nan 8.240 nan 0.000 0.536 341 H N 2.000 121.154 119.070 0.140 0.000 2.518 341 H HA 0.008 4.565 4.556 0.002 0.000 0.294 341 H C -0.990 174.416 175.328 0.129 0.000 1.083 341 H CA 0.497 56.634 56.048 0.149 0.000 1.264 341 H CB -0.732 29.106 29.762 0.126 0.000 1.370 341 H HN 0.482 nan 8.280 nan 0.000 0.560 342 P HA 0.071 nan 4.420 nan 0.000 0.278 342 P C 0.992 178.325 177.300 0.054 0.000 1.502 342 P CA 0.241 63.403 63.100 0.104 0.000 1.114 342 P CB 0.889 32.640 31.700 0.084 0.000 1.541 343 S N 0.419 116.136 115.700 0.029 0.000 2.400 343 S HA -0.237 4.234 4.470 0.002 0.000 0.234 343 S C 1.738 176.352 174.600 0.024 0.000 1.049 343 S CA 1.415 59.607 58.200 -0.014 0.000 1.039 343 S CB -1.695 61.492 63.200 -0.022 0.000 0.856 343 S HN 0.181 nan 8.310 nan 0.000 0.465 344 L N 1.320 122.572 121.223 0.049 0.000 2.450 344 L HA -0.019 4.322 4.340 0.002 0.000 0.224 344 L C 3.001 179.883 176.870 0.020 0.000 1.149 344 L CA 0.623 55.481 54.840 0.030 0.000 0.816 344 L CB -0.941 41.138 42.059 0.033 0.000 0.932 344 L HN 0.479 nan 8.230 nan 0.000 0.449 345 A N 0.765 123.587 122.820 0.004 0.000 1.948 345 A HA -0.229 4.093 4.320 0.002 0.000 0.220 345 A C 2.167 179.768 177.584 0.028 0.000 1.177 345 A CA 1.701 53.736 52.037 -0.004 0.000 0.636 345 A CB -0.489 18.510 19.000 -0.003 0.000 0.815 345 A HN 0.375 nan 8.150 nan 0.000 0.449 346 I N 0.179 120.775 120.570 0.044 0.000 2.086 346 I HA -0.125 4.046 4.170 0.002 0.000 0.233 346 I C -0.291 175.903 176.117 0.129 0.000 1.060 346 I CA 1.514 62.863 61.300 0.082 0.000 1.326 346 I CB -1.052 37.002 38.000 0.089 0.000 1.067 346 I HN 0.233 nan 8.210 nan 0.000 0.398 347 P HA -0.173 nan 4.420 nan 0.000 0.226 347 P C 1.138 178.549 177.300 0.186 0.000 1.153 347 P CA 1.450 64.643 63.100 0.155 0.000 0.777 347 P CB 0.027 31.822 31.700 0.158 0.000 0.794 348 E N 0.441 120.754 120.200 0.188 0.000 2.106 348 E HA -0.141 4.210 4.350 0.002 0.000 0.192 348 E C 1.892 178.548 176.600 0.093 0.000 0.984 348 E CA 0.732 57.283 56.400 0.251 0.000 0.806 348 E CB -1.254 28.536 29.700 0.150 0.000 0.750 348 E HN 0.086 nan 8.360 nan 0.000 0.458 349 L N -0.148 121.099 121.223 0.039 0.000 2.027 349 L HA -0.038 4.304 4.340 0.002 0.000 0.206 349 L C 2.184 179.014 176.870 -0.066 0.000 1.074 349 L CA 1.581 56.409 54.840 -0.020 0.000 0.745 349 L CB -0.455 41.609 42.059 0.007 0.000 0.898 349 L HN 0.194 nan 8.230 nan 0.000 0.433 350 M N -0.841 118.737 119.600 -0.038 0.000 2.202 350 M HA -0.214 4.267 4.480 0.002 0.000 0.262 350 M C 2.391 178.618 176.300 -0.122 0.000 1.063 350 M CA 1.403 56.630 55.300 -0.121 0.000 1.097 350 M CB -1.134 31.384 32.600 -0.135 0.000 1.382 350 M HN 0.336 nan 8.290 nan 0.000 0.413 351 R N -0.023 120.430 120.500 -0.079 0.000 2.115 351 R HA -0.064 4.278 4.340 0.002 0.000 0.226 351 R C 1.914 178.144 176.300 -0.117 0.000 1.100 351 R CA 0.958 56.990 56.100 -0.113 0.000 0.980 351 R CB 0.132 30.332 30.300 -0.167 0.000 0.875 351 R HN 0.221 nan 8.270 nan 0.000 0.445 352 V N 1.180 121.023 119.914 -0.118 0.000 2.379 352 V HA -0.196 3.925 4.120 0.002 0.000 0.245 352 V C 2.339 178.284 176.094 -0.248 0.000 1.044 352 V CA 1.344 63.549 62.300 -0.158 0.000 1.036 352 V CB -0.347 31.382 31.823 -0.157 0.000 0.664 352 V HN 0.284 nan 8.190 nan 0.000 0.453 353 L N -0.652 120.393 121.223 -0.297 0.000 2.007 353 L HA -0.079 4.262 4.340 0.002 0.000 0.205 353 L C 2.511 179.216 176.870 -0.276 0.000 1.073 353 L CA 1.103 55.698 54.840 -0.409 0.000 0.744 353 L CB -0.645 41.166 42.059 -0.413 0.000 0.898 353 L HN 0.151 nan 8.230 nan 0.000 0.435 354 V N 0.182 119.979 119.914 -0.195 0.000 2.223 354 V HA -0.295 3.826 4.120 0.002 0.000 0.244 354 V C 2.167 178.205 176.094 -0.093 0.000 1.045 354 V CA 2.091 64.324 62.300 -0.112 0.000 1.000 354 V CB -0.398 31.392 31.823 -0.056 0.000 0.635 354 V HN 0.441 nan 8.190 nan 0.000 0.445 355 D N -0.330 120.013 120.400 -0.094 0.000 2.087 355 D HA -0.073 4.569 4.640 0.002 0.000 0.201 355 D C 1.973 178.221 176.300 -0.087 0.000 0.980 355 D CA 1.107 55.059 54.000 -0.080 0.000 0.849 355 D CB -0.444 40.307 40.800 -0.082 0.000 1.001 355 D HN 0.195 nan 8.370 nan 0.000 0.452 356 L N 0.974 122.135 121.223 -0.104 0.000 2.093 356 L HA -0.087 4.255 4.340 0.002 0.000 0.208 356 L C 2.024 178.826 176.870 -0.113 0.000 1.085 356 L CA 1.347 56.128 54.840 -0.098 0.000 0.755 356 L CB -0.354 41.644 42.059 -0.102 0.000 0.904 356 L HN -0.047 nan 8.230 nan 0.000 0.435 357 E N -0.280 119.812 120.200 -0.179 0.000 3.069 357 E HA 0.095 4.446 4.350 0.002 0.000 0.418 357 E C 0.700 177.228 176.600 -0.119 0.000 0.402 357 E CA 0.260 56.547 56.400 -0.188 0.000 2.494 357 E CB 0.097 29.536 29.700 -0.435 0.000 2.058 357 E HN 0.014 nan 8.360 nan 0.000 0.487 358 R N -0.529 119.901 120.500 -0.117 0.000 2.507 358 R HA 0.209 4.550 4.340 0.002 0.000 0.180 358 R C -0.727 175.551 176.300 -0.036 0.000 0.574 358 R CA 0.033 56.099 56.100 -0.056 0.000 0.804 358 R CB -0.453 29.835 30.300 -0.020 0.000 1.231 358 R HN 0.086 nan 8.270 nan 0.000 0.565 359 L N 1.200 122.382 121.223 -0.068 0.000 2.472 359 L HA 0.287 4.629 4.340 0.002 0.000 0.260 359 L C 0.654 177.530 176.870 0.009 0.000 1.209 359 L CA -0.267 54.556 54.840 -0.028 0.000 0.817 359 L CB 0.303 42.326 42.059 -0.060 0.000 1.106 359 L HN 0.273 nan 8.230 nan 0.000 0.479 360 D N -0.772 119.656 120.400 0.047 0.000 2.354 360 D HA -0.067 4.574 4.640 0.002 0.000 0.247 360 D C 0.448 176.825 176.300 0.128 0.000 1.138 360 D CA -0.570 53.488 54.000 0.096 0.000 0.958 360 D CB 1.221 42.081 40.800 0.100 0.000 1.144 360 D HN 0.640 nan 8.370 nan 0.000 0.458 361 W N 0.432 121.737 121.300 0.009 0.000 2.468 361 W HA -0.113 4.548 4.660 0.002 0.000 0.262 361 W C 1.088 177.646 176.519 0.064 0.000 1.241 361 W CA 1.026 58.375 57.345 0.005 0.000 1.232 361 W CB 0.239 29.674 29.460 -0.043 0.000 1.124 361 W HN 0.414 nan 8.180 nan 0.000 0.597 362 D N -0.530 120.041 120.400 0.285 0.000 2.214 362 D HA -0.113 4.529 4.640 0.002 0.000 0.217 362 D C 1.834 178.227 176.300 0.154 0.000 0.973 362 D CA 1.030 55.190 54.000 0.267 0.000 0.880 362 D CB -0.717 40.231 40.800 0.247 0.000 1.031 362 D HN -0.118 nan 8.370 nan 0.000 0.468 363 K N 1.173 121.639 120.400 0.111 0.000 2.362 363 K HA -0.041 4.281 4.320 0.002 0.000 0.202 363 K C 1.554 178.174 176.600 0.034 0.000 1.045 363 K CA 0.983 57.318 56.287 0.080 0.000 0.936 363 K CB -0.322 32.225 32.500 0.078 0.000 0.747 363 K HN 0.087 nan 8.250 nan 0.000 0.467 364 A N -0.901 121.900 122.820 -0.033 0.000 1.943 364 A HA -0.058 4.263 4.320 0.002 0.000 0.213 364 A C 2.121 179.654 177.584 -0.084 0.000 1.181 364 A CA 0.738 52.700 52.037 -0.125 0.000 0.653 364 A CB -0.825 18.018 19.000 -0.260 0.000 0.833 364 A HN 0.614 nan 8.150 nan 0.000 0.451 365 W N 0.598 121.668 121.300 -0.384 0.000 2.453 365 W HA -0.066 4.595 4.660 0.002 0.000 0.289 365 W C 1.928 178.375 176.519 -0.120 0.000 1.215 365 W CA 1.185 58.316 57.345 -0.357 0.000 1.297 365 W CB 0.138 29.344 29.460 -0.423 0.000 1.113 365 W HN 0.538 nan 8.180 nan 0.000 0.551 366 E N 0.271 120.510 120.200 0.065 0.000 2.012 366 E HA -0.249 4.103 4.350 0.002 0.000 0.197 366 E C 2.011 178.587 176.600 -0.040 0.000 1.007 366 E CA 2.200 58.600 56.400 -0.000 0.000 0.816 366 E CB -0.469 29.267 29.700 0.061 0.000 0.762 366 E HN 0.012 nan 8.360 nan 0.000 0.451 367 V N 0.922 120.846 119.914 0.017 0.000 2.231 367 V HA -0.345 3.776 4.120 0.002 0.000 0.250 367 V C 2.514 178.619 176.094 0.017 0.000 1.058 367 V CA 2.460 64.793 62.300 0.056 0.000 1.022 367 V CB -1.087 30.803 31.823 0.110 0.000 0.640 367 V HN 0.400 nan 8.190 nan 0.000 0.445 368 T N -0.169 114.362 114.554 -0.038 0.000 2.699 368 T HA -0.178 4.174 4.350 0.002 0.000 0.268 368 T C 1.798 176.362 174.700 -0.227 0.000 1.036 368 T CA 1.820 63.863 62.100 -0.094 0.000 1.147 368 T CB -0.256 68.576 68.868 -0.059 0.000 0.862 368 T HN 0.310 nan 8.240 nan 0.000 0.446 369 V N 0.733 120.396 119.914 -0.418 0.000 2.951 369 V HA 0.034 4.155 4.120 0.002 0.000 0.255 369 V C 2.100 178.144 176.094 -0.082 0.000 1.088 369 V CA 1.162 63.217 62.300 -0.408 0.000 1.109 369 V CB -0.337 31.068 31.823 -0.696 0.000 0.724 369 V HN 0.406 nan 8.190 nan 0.000 0.471 370 K N -0.425 119.950 120.400 -0.042 0.000 2.444 370 K HA 0.040 4.361 4.320 0.002 0.000 0.193 370 K C 1.667 178.350 176.600 0.138 0.000 1.024 370 K CA 0.780 57.074 56.287 0.012 0.000 1.077 370 K CB 0.200 32.663 32.500 -0.061 0.000 0.833 370 K HN 0.437 nan 8.250 nan 0.000 0.517 371 T N -0.325 114.315 114.554 0.143 0.000 3.038 371 T HA 0.076 4.427 4.350 0.002 0.000 0.244 371 T C 0.647 175.429 174.700 0.137 0.000 1.016 371 T CA 0.110 62.287 62.100 0.128 0.000 1.098 371 T CB 0.292 69.192 68.868 0.054 0.000 0.954 371 T HN 0.123 nan 8.240 nan 0.000 0.469 372 C N 3.197 122.529 119.300 0.052 0.000 2.369 372 C HA 0.862 5.323 4.460 0.002 0.000 0.358 372 C C 0.627 175.529 174.990 -0.148 0.000 1.274 372 C CA -1.261 57.749 59.018 -0.014 0.000 1.935 372 C CB -0.642 27.080 27.740 -0.030 0.000 2.431 372 C HN 0.592 nan 8.230 nan 0.000 0.545 373 A N 3.080 125.852 122.820 -0.080 0.000 2.356 373 A HA 0.735 5.056 4.320 0.002 0.000 0.310 373 A C -1.280 176.413 177.584 0.181 0.000 1.075 373 A CA -0.380 51.621 52.037 -0.060 0.000 0.746 373 A CB 0.899 19.917 19.000 0.031 0.000 1.221 373 A HN 0.962 nan 8.150 nan 0.000 0.443 374 Y N 1.807 122.133 120.300 0.044 0.000 2.332 374 Y HA 0.552 5.103 4.550 0.003 0.000 0.326 374 Y C -0.194 175.797 175.900 0.152 0.000 0.978 374 Y CA -0.476 57.680 58.100 0.093 0.000 1.205 374 Y CB 1.214 39.690 38.460 0.027 0.000 1.131 374 Y HN 0.578 nan 8.280 nan 0.000 0.462 375 T N 6.641 121.190 114.554 -0.008 0.000 2.916 375 T HA 0.068 4.419 4.350 0.002 0.000 0.303 375 T C -0.151 174.300 174.700 -0.414 0.000 1.025 375 T CA 0.075 62.143 62.100 -0.053 0.000 1.142 375 T CB 0.063 69.081 68.868 0.250 0.000 0.947 375 T HN 0.731 nan 8.240 nan 0.000 0.544 376 N N 1.065 119.496 118.700 -0.449 0.000 2.459 376 N HA 0.265 5.006 4.740 0.002 0.000 0.288 376 N C -0.738 174.590 175.510 -0.304 0.000 1.186 376 N CA -0.542 52.344 53.050 -0.274 0.000 0.917 376 N CB 1.170 39.610 38.487 -0.078 0.000 1.219 376 N HN 0.700 nan 8.380 nan 0.000 0.525 377 H N -1.467 117.672 119.070 0.116 0.000 3.359 377 H HA 0.199 4.756 4.556 0.002 0.000 0.258 377 H C -0.915 174.325 175.328 -0.148 0.000 1.164 377 H CA -0.446 55.563 56.048 -0.065 0.000 1.008 377 H CB -0.305 29.448 29.762 -0.013 0.000 2.548 377 H HN 0.443 nan 8.280 nan 0.000 0.733 378 T N -2.316 112.268 114.554 0.049 0.000 2.876 378 T HA 0.504 4.855 4.350 0.002 0.000 0.289 378 T C 0.459 175.175 174.700 0.028 0.000 1.014 378 T CA -0.453 61.660 62.100 0.020 0.000 0.986 378 T CB 2.612 71.528 68.868 0.080 0.000 1.021 378 T HN 0.024 nan 8.240 nan 0.000 0.458 379 V N 1.517 121.411 119.914 -0.034 0.000 2.996 379 V HA 0.433 4.554 4.120 0.002 0.000 0.235 379 V C 0.413 176.473 176.094 -0.058 0.000 1.205 379 V CA -0.015 62.273 62.300 -0.020 0.000 1.225 379 V CB -0.098 31.716 31.823 -0.016 0.000 0.995 379 V HN 0.841 nan 8.190 nan 0.000 0.484 380 I N 2.281 122.814 120.570 -0.062 0.000 2.598 380 I HA 0.248 4.419 4.170 0.002 0.000 0.284 380 I C -1.131 174.965 176.117 -0.035 0.000 1.140 380 I CA -1.599 59.669 61.300 -0.054 0.000 1.420 380 I CB 1.153 39.110 38.000 -0.071 0.000 1.387 380 I HN 0.180 nan 8.210 nan 0.000 0.553 381 P HA -0.279 nan 4.420 nan 0.000 0.222 381 P C 1.078 178.380 177.300 0.003 0.000 1.159 381 P CA 1.675 64.776 63.100 0.003 0.000 0.920 381 P CB 0.123 31.830 31.700 0.011 0.000 0.793 382 E N -0.905 119.289 120.200 -0.010 0.000 2.273 382 E HA -0.132 4.220 4.350 0.002 0.000 0.198 382 E C 1.610 178.197 176.600 -0.022 0.000 1.002 382 E CA 1.450 57.841 56.400 -0.016 0.000 0.828 382 E CB -0.761 28.928 29.700 -0.019 0.000 0.747 382 E HN 0.287 nan 8.360 nan 0.000 0.491 383 A N 0.074 122.883 122.820 -0.019 0.000 2.500 383 A HA 0.235 4.556 4.320 0.002 0.000 0.267 383 A C -0.061 177.527 177.584 0.006 0.000 1.290 383 A CA -0.404 51.624 52.037 -0.016 0.000 0.928 383 A CB 0.187 19.172 19.000 -0.024 0.000 1.066 383 A HN 0.031 nan 8.150 nan 0.000 0.516 384 L N 0.509 121.742 121.223 0.017 0.000 2.326 384 L HA 0.321 4.662 4.340 0.002 0.000 0.278 384 L C 0.567 177.428 176.870 -0.015 0.000 1.092 384 L CA -0.328 54.541 54.840 0.048 0.000 0.810 384 L CB 0.955 43.080 42.059 0.110 0.000 1.153 384 L HN 0.431 nan 8.230 nan 0.000 0.439 385 E N 3.474 123.655 120.200 -0.031 0.000 2.480 385 E HA 0.092 4.443 4.350 0.002 0.000 0.258 385 E C -0.592 175.902 176.600 -0.178 0.000 0.984 385 E CA 0.490 56.808 56.400 -0.137 0.000 0.930 385 E CB 0.310 29.958 29.700 -0.088 0.000 0.936 385 E HN 0.332 nan 8.360 nan 0.000 0.466 386 R N 4.662 124.977 120.500 -0.309 0.000 2.713 386 R HA 0.166 4.507 4.340 0.002 0.000 0.282 386 R C -1.437 174.768 176.300 -0.158 0.000 1.472 386 R CA -0.479 55.512 56.100 -0.182 0.000 1.060 386 R CB 0.759 31.001 30.300 -0.098 0.000 1.237 386 R HN 0.587 nan 8.270 nan 0.000 0.484 387 W N 4.444 125.742 121.300 -0.003 0.000 2.272 387 W HA 0.279 4.940 4.660 0.003 0.000 0.318 387 W C -1.912 174.572 176.519 -0.058 0.000 1.255 387 W CA -2.043 55.286 57.345 -0.028 0.000 1.200 387 W CB 0.782 30.226 29.460 -0.025 0.000 1.170 387 W HN 0.240 nan 8.180 nan 0.000 0.549 388 P HA -0.078 nan 4.420 nan 0.000 0.271 388 P C 0.777 178.016 177.300 -0.102 0.000 1.216 388 P CA -0.003 63.094 63.100 -0.005 0.000 0.771 388 P CB 0.863 32.480 31.700 -0.140 0.000 0.864 389 V N 2.127 122.033 119.914 -0.013 0.000 2.358 389 V HA -0.274 3.848 4.120 0.002 0.000 0.246 389 V C 2.042 178.119 176.094 -0.027 0.000 1.047 389 V CA 2.197 64.498 62.300 0.002 0.000 1.035 389 V CB -2.227 29.654 31.823 0.097 0.000 0.658 389 V HN 0.654 nan 8.190 nan 0.000 0.452 390 H N 0.197 119.298 119.070 0.051 0.000 2.431 390 H HA -0.172 4.385 4.556 0.002 0.000 0.297 390 H C 2.112 177.456 175.328 0.027 0.000 1.115 390 H CA 2.324 58.395 56.048 0.038 0.000 1.277 390 H CB -0.678 29.111 29.762 0.046 0.000 1.372 390 H HN 0.416 nan 8.280 nan 0.000 0.516 391 L N -0.154 120.756 121.223 -0.522 0.000 2.072 391 L HA -0.071 4.270 4.340 0.002 0.000 0.205 391 L C 1.798 178.557 176.870 -0.186 0.000 1.079 391 L CA 1.132 55.781 54.840 -0.317 0.000 0.752 391 L CB -0.478 41.358 42.059 -0.372 0.000 0.906 391 L HN 0.359 nan 8.230 nan 0.000 0.436 392 L N 0.407 121.518 121.223 -0.187 0.000 2.131 392 L HA -0.168 4.173 4.340 0.002 0.000 0.210 392 L C 2.515 179.312 176.870 -0.122 0.000 1.092 392 L CA 1.344 56.076 54.840 -0.180 0.000 0.759 392 L CB -1.090 40.866 42.059 -0.172 0.000 0.903 392 L HN 0.309 nan 8.230 nan 0.000 0.435 393 E N -0.973 119.191 120.200 -0.060 0.000 2.007 393 E HA -0.197 4.154 4.350 0.002 0.000 0.194 393 E C 2.024 178.643 176.600 0.031 0.000 0.999 393 E CA 1.913 58.302 56.400 -0.018 0.000 0.811 393 E CB -0.354 29.369 29.700 0.040 0.000 0.762 393 E HN 0.375 nan 8.360 nan 0.000 0.450 394 T N 2.040 116.649 114.554 0.092 0.000 2.570 394 T HA -0.199 4.153 4.350 0.002 0.000 0.266 394 T C 2.029 176.868 174.700 0.232 0.000 1.071 394 T CA 1.954 64.161 62.100 0.178 0.000 1.172 394 T CB -0.350 68.647 68.868 0.214 0.000 0.864 394 T HN 0.282 nan 8.240 nan 0.000 0.421 395 L N -1.837 119.436 121.223 0.083 0.000 2.513 395 L HA 0.375 4.716 4.340 0.002 0.000 0.222 395 L C 0.083 176.916 176.870 -0.062 0.000 1.096 395 L CA 0.292 55.067 54.840 -0.108 0.000 0.857 395 L CB 0.162 41.952 42.059 -0.448 0.000 1.026 395 L HN 0.065 nan 8.230 nan 0.000 0.469 396 L N 2.734 123.878 121.223 -0.131 0.000 2.556 396 L HA 0.407 4.748 4.340 0.002 0.000 0.243 396 L C -1.737 174.966 176.870 -0.278 0.000 1.331 396 L CA -1.484 53.213 54.840 -0.239 0.000 0.927 396 L CB 0.472 42.336 42.059 -0.325 0.000 1.219 396 L HN -0.070 nan 8.230 nan 0.000 0.490 397 P HA -0.168 nan 4.420 nan 0.000 0.216 397 P C 1.507 178.601 177.300 -0.343 0.000 1.153 397 P CA 1.054 64.017 63.100 -0.228 0.000 0.848 397 P CB 0.706 32.356 31.700 -0.082 0.000 0.787 398 R N -0.322 119.791 120.500 -0.644 0.000 2.062 398 R HA -0.142 4.199 4.340 0.002 0.000 0.231 398 R C 2.664 178.652 176.300 -0.519 0.000 1.136 398 R CA 1.625 57.355 56.100 -0.616 0.000 0.948 398 R CB -1.602 28.148 30.300 -0.916 0.000 0.845 398 R HN 0.202 nan 8.270 nan 0.000 0.430 399 H N 0.604 119.354 119.070 -0.533 0.000 2.289 399 H HA -0.180 4.378 4.556 0.002 0.000 0.294 399 H C 1.791 176.960 175.328 -0.264 0.000 1.095 399 H CA 1.835 57.672 56.048 -0.352 0.000 1.256 399 H CB -0.470 29.060 29.762 -0.387 0.000 1.359 399 H HN 0.198 nan 8.280 nan 0.000 0.487 400 L N 1.548 122.662 121.223 -0.181 0.000 2.456 400 L HA -0.130 4.211 4.340 0.002 0.000 0.224 400 L C 1.917 178.554 176.870 -0.388 0.000 1.148 400 L CA 1.281 55.941 54.840 -0.300 0.000 0.825 400 L CB -0.602 41.263 42.059 -0.322 0.000 0.937 400 L HN 0.292 nan 8.230 nan 0.000 0.450 401 Q N -0.309 119.350 119.800 -0.236 0.000 2.163 401 Q HA -0.062 4.280 4.340 0.002 0.000 0.198 401 Q C 2.240 178.210 176.000 -0.050 0.000 0.954 401 Q CA 1.235 56.960 55.803 -0.130 0.000 0.851 401 Q CB 0.202 28.898 28.738 -0.070 0.000 0.928 401 Q HN 0.617 nan 8.270 nan 0.000 0.459 402 I N 0.213 120.754 120.570 -0.049 0.000 2.286 402 I HA -0.234 3.937 4.170 0.002 0.000 0.245 402 I C 2.067 178.237 176.117 0.088 0.000 1.104 402 I CA 0.745 62.078 61.300 0.055 0.000 1.397 402 I CB -0.259 37.755 38.000 0.025 0.000 1.072 402 I HN 0.220 nan 8.210 nan 0.000 0.417 403 I N 0.346 120.941 120.570 0.041 0.000 2.151 403 I HA -0.347 3.824 4.170 0.002 0.000 0.243 403 I C 2.577 178.803 176.117 0.183 0.000 1.080 403 I CA 1.738 63.091 61.300 0.089 0.000 1.339 403 I CB -0.605 37.411 38.000 0.028 0.000 1.039 403 I HN 0.207 nan 8.210 nan 0.000 0.409 404 Y N 0.972 121.284 120.300 0.021 0.000 2.333 404 Y HA -0.239 4.313 4.550 0.002 0.000 0.290 404 Y C 2.529 178.394 175.900 -0.058 0.000 1.144 404 Y CA 1.307 59.405 58.100 -0.003 0.000 1.228 404 Y CB -0.837 37.614 38.460 -0.015 0.000 0.985 404 Y HN 0.288 nan 8.280 nan 0.000 0.542 405 E N 0.412 120.645 120.200 0.054 0.000 2.015 405 E HA -0.134 4.217 4.350 0.002 0.000 0.191 405 E C 2.160 178.602 176.600 -0.263 0.000 0.991 405 E CA 1.205 57.475 56.400 -0.217 0.000 0.802 405 E CB -0.558 28.904 29.700 -0.397 0.000 0.759 405 E HN 0.391 nan 8.360 nan 0.000 0.447 406 I N 1.026 121.554 120.570 -0.070 0.000 2.113 406 I HA -0.378 3.794 4.170 0.002 0.000 0.242 406 I C 2.336 178.514 176.117 0.103 0.000 1.064 406 I CA 1.768 63.055 61.300 -0.021 0.000 1.320 406 I CB -0.488 37.533 38.000 0.034 0.000 1.028 406 I HN 0.241 nan 8.210 nan 0.000 0.406 407 N N 0.379 119.175 118.700 0.160 0.000 2.043 407 N HA -0.282 4.459 4.740 0.002 0.000 0.193 407 N C 1.872 177.461 175.510 0.132 0.000 1.037 407 N CA 1.746 54.931 53.050 0.225 0.000 0.851 407 N CB -0.228 38.384 38.487 0.209 0.000 1.027 407 N HN 0.369 nan 8.380 nan 0.000 0.422 408 Q N 0.176 119.980 119.800 0.007 0.000 2.014 408 Q HA -0.235 4.107 4.340 0.002 0.000 0.207 408 Q C 2.036 178.016 176.000 -0.034 0.000 0.993 408 Q CA 1.667 57.439 55.803 -0.052 0.000 0.850 408 Q CB -0.072 28.595 28.738 -0.119 0.000 0.916 408 Q HN 0.426 nan 8.270 nan 0.000 0.417 409 R N -0.497 119.967 120.500 -0.059 0.000 2.070 409 R HA -0.144 4.198 4.340 0.002 0.000 0.232 409 R C 2.340 178.718 176.300 0.130 0.000 1.138 409 R CA 1.446 57.536 56.100 -0.016 0.000 0.936 409 R CB -0.776 29.462 30.300 -0.103 0.000 0.839 409 R HN 0.308 nan 8.270 nan 0.000 0.429 410 F N 2.058 122.061 119.950 0.089 0.000 2.154 410 F HA -0.178 4.351 4.527 0.002 0.000 0.301 410 F C 1.848 177.711 175.800 0.106 0.000 1.087 410 F CA 1.438 59.536 58.000 0.163 0.000 1.274 410 F CB -0.309 38.831 39.000 0.233 0.000 1.009 410 F HN -0.074 nan 8.300 nan 0.000 0.485 411 L N -0.341 120.805 121.223 -0.130 0.000 2.217 411 L HA -0.168 4.174 4.340 0.002 0.000 0.211 411 L C 1.979 178.766 176.870 -0.139 0.000 1.107 411 L CA 1.316 56.018 54.840 -0.230 0.000 0.783 411 L CB -0.751 41.248 42.059 -0.101 0.000 0.919 411 L HN 0.148 nan 8.230 nan 0.000 0.442 412 N N -0.426 118.237 118.700 -0.062 0.000 2.216 412 N HA -0.090 4.652 4.740 0.002 0.000 0.183 412 N C 1.913 177.412 175.510 -0.018 0.000 1.017 412 N CA 0.461 53.490 53.050 -0.036 0.000 0.861 412 N CB 0.076 38.550 38.487 -0.021 0.000 0.986 412 N HN 0.112 nan 8.380 nan 0.000 0.428 413 R N 0.370 120.876 120.500 0.010 0.000 2.115 413 R HA -0.152 4.189 4.340 0.002 0.000 0.239 413 R C 1.881 178.175 176.300 -0.009 0.000 1.133 413 R CA 1.485 57.608 56.100 0.039 0.000 0.935 413 R CB -0.793 29.581 30.300 0.123 0.000 0.853 413 R HN 0.107 nan 8.270 nan 0.000 0.433 414 V N 0.754 120.602 119.914 -0.109 0.000 2.282 414 V HA -0.302 3.819 4.120 0.002 0.000 0.249 414 V C 2.435 178.557 176.094 0.047 0.000 1.057 414 V CA 2.093 64.350 62.300 -0.071 0.000 1.032 414 V CB -0.741 30.866 31.823 -0.359 0.000 0.645 414 V HN 0.510 nan 8.190 nan 0.000 0.447 415 A N -0.377 122.432 122.820 -0.018 0.000 1.969 415 A HA -0.046 4.275 4.320 0.002 0.000 0.218 415 A C 2.411 179.998 177.584 0.005 0.000 1.169 415 A CA 1.791 53.832 52.037 0.007 0.000 0.635 415 A CB -0.686 18.302 19.000 -0.021 0.000 0.810 415 A HN 0.591 nan 8.150 nan 0.000 0.445 416 A N -0.195 122.619 122.820 -0.009 0.000 1.978 416 A HA 0.123 4.444 4.320 0.002 0.000 0.220 416 A C 2.407 179.954 177.584 -0.063 0.000 1.170 416 A CA 2.157 54.180 52.037 -0.024 0.000 0.636 416 A CB -0.744 18.249 19.000 -0.013 0.000 0.810 416 A HN 0.970 nan 8.150 nan 0.000 0.448 417 A N -1.732 121.034 122.820 -0.090 0.000 1.878 417 A HA 0.348 4.669 4.320 0.002 0.000 0.213 417 A C 0.957 178.267 177.584 -0.456 0.000 1.192 417 A CA 0.728 52.590 52.037 -0.291 0.000 0.619 417 A CB -0.185 18.612 19.000 -0.339 0.000 0.837 417 A HN 0.434 nan 8.150 nan 0.000 0.446 418 F N 0.389 120.306 119.950 -0.056 0.000 2.893 418 F HA 0.323 4.851 4.527 0.002 0.000 0.340 418 F C -2.518 173.256 175.800 -0.043 0.000 1.300 418 F CA -2.559 55.411 58.000 -0.050 0.000 1.227 418 F CB 0.271 39.232 39.000 -0.065 0.000 1.044 418 F HN 0.047 nan 8.300 nan 0.000 0.512 419 P HA 0.227 nan 4.420 nan 0.000 0.270 419 P C 1.097 178.422 177.300 0.041 0.000 1.223 419 P CA 0.936 64.057 63.100 0.035 0.000 0.785 419 P CB 0.922 32.623 31.700 0.001 0.000 0.923 420 G N 0.490 109.305 108.800 0.026 0.000 2.458 420 G HA2 -0.240 3.721 3.960 0.002 0.000 0.237 420 G HA3 -0.240 3.721 3.960 0.002 0.000 0.237 420 G C 0.231 175.145 174.900 0.023 0.000 1.113 420 G CA 0.244 45.357 45.100 0.021 0.000 0.655 420 G HN 0.650 nan 8.290 nan 0.000 0.513 421 D N 0.974 121.398 120.400 0.039 0.000 2.325 421 D HA 0.515 5.156 4.640 0.002 0.000 0.251 421 D C 1.561 177.860 176.300 -0.001 0.000 1.196 421 D CA 0.352 54.364 54.000 0.020 0.000 0.866 421 D CB 1.488 42.300 40.800 0.021 0.000 1.101 421 D HN 0.163 nan 8.370 nan 0.000 0.476 422 V N 3.177 123.086 119.914 -0.009 0.000 2.672 422 V HA -0.062 4.059 4.120 0.002 0.000 0.242 422 V C 1.874 177.954 176.094 -0.023 0.000 1.059 422 V CA 0.645 62.936 62.300 -0.016 0.000 1.081 422 V CB -0.310 31.507 31.823 -0.010 0.000 0.752 422 V HN 0.506 nan 8.190 nan 0.000 0.472 423 D N 0.555 120.943 120.400 -0.021 0.000 2.178 423 D HA -0.190 4.452 4.640 0.002 0.000 0.202 423 D C 2.277 178.554 176.300 -0.038 0.000 0.974 423 D CA 1.219 55.207 54.000 -0.019 0.000 0.841 423 D CB -0.077 40.716 40.800 -0.012 0.000 0.953 423 D HN 0.227 nan 8.370 nan 0.000 0.478 424 R N -0.339 120.117 120.500 -0.073 0.000 2.092 424 R HA -0.067 4.274 4.340 0.002 0.000 0.231 424 R C 2.076 178.303 176.300 -0.123 0.000 1.119 424 R CA 0.585 56.603 56.100 -0.136 0.000 0.970 424 R CB -0.150 29.997 30.300 -0.256 0.000 0.864 424 R HN 0.220 nan 8.270 nan 0.000 0.440 425 L N 1.368 122.535 121.223 -0.094 0.000 2.046 425 L HA -0.193 4.148 4.340 0.002 0.000 0.208 425 L C 2.463 179.312 176.870 -0.035 0.000 1.077 425 L CA 1.983 56.772 54.840 -0.085 0.000 0.747 425 L CB -0.980 41.041 42.059 -0.063 0.000 0.896 425 L HN 0.355 nan 8.230 nan 0.000 0.432 426 R N -0.813 119.678 120.500 -0.015 0.000 2.280 426 R HA -0.072 4.269 4.340 0.002 0.000 0.207 426 R C 2.027 178.356 176.300 0.048 0.000 1.043 426 R CA 0.683 56.792 56.100 0.015 0.000 1.006 426 R CB -0.212 30.093 30.300 0.009 0.000 0.885 426 R HN 0.260 nan 8.270 nan 0.000 0.467 427 R N 0.038 120.567 120.500 0.048 0.000 2.105 427 R HA 0.224 4.566 4.340 0.002 0.000 0.214 427 R C 2.091 178.526 176.300 0.226 0.000 1.091 427 R CA 1.040 57.208 56.100 0.113 0.000 1.007 427 R CB -0.134 30.215 30.300 0.083 0.000 0.912 427 R HN 0.184 nan 8.270 nan 0.000 0.450 428 M N 1.204 120.885 119.600 0.134 0.000 2.394 428 M HA -0.027 4.454 4.480 0.002 0.000 0.264 428 M C 0.928 177.531 176.300 0.504 0.000 1.073 428 M CA 0.450 55.870 55.300 0.200 0.000 1.111 428 M CB 0.129 32.575 32.600 -0.257 0.000 1.401 428 M HN 0.009 nan 8.290 nan 0.000 0.448 429 S N 0.913 116.813 115.700 0.334 0.000 2.558 429 S HA -0.037 4.434 4.470 0.002 0.000 0.287 429 S C 0.975 175.863 174.600 0.480 0.000 1.321 429 S CA -0.301 58.122 58.200 0.372 0.000 1.048 429 S CB 0.441 63.752 63.200 0.184 0.000 0.844 429 S HN 0.420 nan 8.310 nan 0.000 0.512 430 L N 3.002 124.489 121.223 0.440 0.000 2.622 430 L HA 0.165 4.507 4.340 0.002 0.000 0.233 430 L C 0.023 177.006 176.870 0.188 0.000 1.156 430 L CA -0.054 54.969 54.840 0.305 0.000 0.866 430 L CB -0.853 41.383 42.059 0.295 0.000 0.980 430 L HN 0.383 nan 8.230 nan 0.000 0.448 431 V N 0.790 120.803 119.914 0.166 0.000 2.304 431 V HA 0.199 4.320 4.120 0.002 0.000 0.278 431 V C 0.144 176.291 176.094 0.089 0.000 1.018 431 V CA -0.595 61.788 62.300 0.138 0.000 0.814 431 V CB 1.583 33.480 31.823 0.124 0.000 1.021 431 V HN 0.193 nan 8.190 nan 0.000 0.440 432 E N 3.998 124.238 120.200 0.066 0.000 2.313 432 E HA 0.294 4.645 4.350 0.002 0.000 0.276 432 E C -0.496 176.136 176.600 0.052 0.000 1.031 432 E CA -0.460 55.968 56.400 0.046 0.000 0.857 432 E CB 0.808 30.520 29.700 0.020 0.000 1.040 432 E HN 0.608 nan 8.360 nan 0.000 0.408 433 E N 2.193 122.420 120.200 0.045 0.000 2.191 433 E HA 0.600 4.951 4.350 0.002 0.000 0.274 433 E C -0.041 176.581 176.600 0.037 0.000 0.948 433 E CA -0.767 55.658 56.400 0.042 0.000 0.802 433 E CB 1.981 31.701 29.700 0.033 0.000 1.137 433 E HN 0.736 nan 8.360 nan 0.000 0.397 434 G N 0.281 109.103 108.800 0.038 0.000 2.450 434 G HA2 0.455 4.416 3.960 0.002 0.000 0.273 434 G HA3 0.455 4.416 3.960 0.002 0.000 0.273 434 G C -1.523 173.398 174.900 0.035 0.000 1.221 434 G CA -0.153 44.966 45.100 0.032 0.000 0.900 434 G HN 0.503 nan 8.290 nan 0.000 0.483 435 A N -0.161 122.679 122.820 0.033 0.000 2.310 435 A HA 0.700 5.021 4.320 0.002 0.000 0.300 435 A C 0.342 177.956 177.584 0.050 0.000 1.269 435 A CA 0.368 52.427 52.037 0.036 0.000 0.909 435 A CB -0.293 18.724 19.000 0.028 0.000 1.144 435 A HN 2.153 nan 8.150 nan 0.000 0.540 436 V N 2.202 122.156 119.914 0.067 0.000 3.327 436 V HA -0.156 3.966 4.120 0.002 0.000 0.455 436 V C 0.307 176.455 176.094 0.088 0.000 0.681 436 V CA 1.025 63.384 62.300 0.098 0.000 1.970 436 V CB -1.467 30.420 31.823 0.106 0.000 2.431 436 V HN 1.174 nan 8.190 nan 0.000 0.494 437 K N 5.618 126.079 120.400 0.100 0.000 2.350 437 K HA 0.584 4.905 4.320 0.002 0.000 0.279 437 K C 0.233 176.895 176.600 0.103 0.000 1.027 437 K CA -0.392 55.952 56.287 0.095 0.000 0.969 437 K CB 0.786 33.349 32.500 0.105 0.000 0.954 437 K HN 0.662 nan 8.250 nan 0.000 0.474 438 R N 3.069 123.623 120.500 0.091 0.000 2.905 438 R HA 0.536 4.878 4.340 0.002 0.000 0.260 438 R C -0.745 175.617 176.300 0.103 0.000 1.086 438 R CA -0.915 55.240 56.100 0.091 0.000 0.978 438 R CB 1.456 31.793 30.300 0.062 0.000 1.215 438 R HN 0.501 nan 8.270 nan 0.000 0.480 439 I N 1.627 122.267 120.570 0.117 0.000 2.410 439 I HA 0.164 4.336 4.170 0.002 0.000 0.286 439 I C -0.459 175.711 176.117 0.088 0.000 1.009 439 I CA -0.760 60.614 61.300 0.124 0.000 1.111 439 I CB 1.742 39.828 38.000 0.143 0.000 1.262 439 I HN 0.489 nan 8.210 nan 0.000 0.443 440 N N 6.317 125.034 118.700 0.028 0.000 2.543 440 N HA -0.004 4.738 4.740 0.002 0.000 0.289 440 N C 0.861 176.371 175.510 0.000 0.000 1.223 440 N CA 0.042 53.055 53.050 -0.063 0.000 1.080 440 N CB 0.533 38.839 38.487 -0.301 0.000 1.450 440 N HN 0.561 nan 8.380 nan 0.000 0.501 441 M N 2.044 121.660 119.600 0.028 0.000 2.435 441 M HA -0.101 4.380 4.480 0.002 0.000 0.262 441 M C 1.822 178.101 176.300 -0.035 0.000 1.065 441 M CA 0.792 56.115 55.300 0.038 0.000 1.076 441 M CB -0.189 32.459 32.600 0.081 0.000 1.403 441 M HN 0.573 nan 8.290 nan 0.000 0.454 442 A N -1.114 121.708 122.820 0.003 0.000 1.855 442 A HA -0.174 4.147 4.320 0.002 0.000 0.215 442 A C 2.002 179.556 177.584 -0.048 0.000 1.191 442 A CA 1.640 53.697 52.037 0.034 0.000 0.613 442 A CB -1.069 18.075 19.000 0.239 0.000 0.829 442 A HN 0.646 nan 8.150 nan 0.000 0.442 443 H N -0.996 117.974 119.070 -0.167 0.000 2.457 443 H HA -0.011 4.547 4.556 0.002 0.000 0.294 443 H C 2.098 177.328 175.328 -0.164 0.000 1.064 443 H CA 0.669 56.591 56.048 -0.210 0.000 1.330 443 H CB -0.016 29.797 29.762 0.085 0.000 1.395 443 H HN 0.362 nan 8.280 nan 0.000 0.541 444 L N 0.504 121.753 121.223 0.044 0.000 1.948 444 L HA -0.237 4.104 4.340 0.002 0.000 0.212 444 L C 2.410 179.218 176.870 -0.102 0.000 1.074 444 L CA 1.478 56.328 54.840 0.018 0.000 0.753 444 L CB -0.843 41.246 42.059 0.050 0.000 0.888 444 L HN 0.388 nan 8.230 nan 0.000 0.432 445 C N 0.427 119.592 119.300 -0.225 0.000 2.366 445 C HA -0.292 4.169 4.460 0.002 0.000 0.271 445 C C 2.751 177.548 174.990 -0.322 0.000 1.152 445 C CA 1.473 60.245 59.018 -0.409 0.000 1.809 445 C CB -1.029 26.137 27.740 -0.956 0.000 2.107 445 C HN 0.552 nan 8.230 nan 0.000 0.455 446 I N 0.443 120.797 120.570 -0.359 0.000 2.163 446 I HA -0.198 3.973 4.170 0.002 0.000 0.240 446 I C 2.705 178.648 176.117 -0.290 0.000 1.081 446 I CA 1.711 62.791 61.300 -0.365 0.000 1.353 446 I CB -0.578 36.994 38.000 -0.714 0.000 1.054 446 I HN 0.323 nan 8.210 nan 0.000 0.407 447 A N 0.517 123.139 122.820 -0.329 0.000 1.933 447 A HA -0.106 4.216 4.320 0.002 0.000 0.218 447 A C 2.134 179.601 177.584 -0.195 0.000 1.175 447 A CA 1.744 53.571 52.037 -0.350 0.000 0.628 447 A CB -1.243 17.354 19.000 -0.671 0.000 0.814 447 A HN 0.489 nan 8.150 nan 0.000 0.444 448 G N -0.704 107.997 108.800 -0.165 0.000 3.279 448 G HA2 0.397 4.358 3.960 0.002 0.000 0.230 448 G HA3 0.397 4.358 3.960 0.002 0.000 0.230 448 G C 0.045 174.748 174.900 -0.329 0.000 1.230 448 G CA 0.463 45.333 45.100 -0.383 0.000 0.891 448 G HN 0.327 nan 8.290 nan 0.000 0.518 449 S N -0.952 114.600 115.700 -0.246 0.000 2.548 449 S HA 0.335 4.806 4.470 0.002 0.000 0.286 449 S C 0.082 174.623 174.600 -0.098 0.000 1.098 449 S CA -0.704 57.396 58.200 -0.167 0.000 0.930 449 S CB 1.305 64.438 63.200 -0.111 0.000 1.070 449 S HN 0.596 nan 8.310 nan 0.000 0.480 450 H N -0.178 118.856 119.070 -0.060 0.000 2.645 450 H HA 0.731 5.288 4.556 0.002 0.000 0.300 450 H C -0.153 175.190 175.328 0.024 0.000 1.065 450 H CA 0.181 56.224 56.048 -0.009 0.000 1.173 450 H CB -0.143 29.623 29.762 0.006 0.000 1.383 450 H HN 0.639 nan 8.280 nan 0.000 0.566 451 A N -0.090 122.662 122.820 -0.113 0.000 2.449 451 A HA 0.461 4.782 4.320 0.002 0.000 0.304 451 A C -1.860 175.675 177.584 -0.082 0.000 1.004 451 A CA -0.520 51.466 52.037 -0.085 0.000 0.871 451 A CB 0.140 19.088 19.000 -0.087 0.000 1.092 451 A HN 0.185 nan 8.150 nan 0.000 0.364 452 V N 3.795 123.667 119.914 -0.070 0.000 2.735 452 V HA 0.830 4.951 4.120 0.002 0.000 0.310 452 V C -0.805 175.332 176.094 0.073 0.000 1.061 452 V CA -0.581 61.717 62.300 -0.003 0.000 0.913 452 V CB 2.217 34.077 31.823 0.061 0.000 1.005 452 V HN 1.145 nan 8.190 nan 0.000 0.428 453 N N 2.239 120.946 118.700 0.011 0.000 2.493 453 N HA 0.310 5.052 4.740 0.002 0.000 0.279 453 N C -0.296 175.182 175.510 -0.052 0.000 1.082 453 N CA -0.412 52.638 53.050 -0.001 0.000 0.963 453 N CB 1.997 40.463 38.487 -0.035 0.000 1.627 453 N HN 0.728 nan 8.380 nan 0.000 0.499 454 G N -0.236 108.508 108.800 -0.093 0.000 2.683 454 G HA2 0.312 4.274 3.960 0.002 0.000 0.260 454 G HA3 0.312 4.274 3.960 0.002 0.000 0.260 454 G C 0.071 175.017 174.900 0.076 0.000 1.238 454 G CA -0.426 44.622 45.100 -0.087 0.000 0.934 454 G HN 0.410 nan 8.290 nan 0.000 0.534 455 V N 0.056 120.121 119.914 0.252 0.000 3.070 455 V HA 0.616 4.738 4.120 0.002 0.000 0.345 455 V C 0.521 176.693 176.094 0.130 0.000 1.403 455 V CA 0.795 63.181 62.300 0.143 0.000 1.155 455 V CB -0.469 31.415 31.823 0.102 0.000 1.140 455 V HN 1.188 nan 8.190 nan 0.000 0.505 456 A N -0.572 122.322 122.820 0.124 0.000 2.565 456 A HA 0.538 4.860 4.320 0.002 0.000 0.298 456 A C 0.533 178.148 177.584 0.052 0.000 1.062 456 A CA -0.576 51.512 52.037 0.086 0.000 0.723 456 A CB 0.894 19.943 19.000 0.081 0.000 1.282 456 A HN 0.178 nan 8.150 nan 0.000 0.400 457 R N 1.143 121.649 120.500 0.010 0.000 2.103 457 R HA -0.236 4.105 4.340 0.002 0.000 0.242 457 R C 1.968 178.247 176.300 -0.036 0.000 1.142 457 R CA 2.310 58.394 56.100 -0.028 0.000 0.960 457 R CB -0.718 29.563 30.300 -0.032 0.000 0.858 457 R HN 0.904 nan 8.270 nan 0.000 0.439 458 I N -2.041 118.522 120.570 -0.012 0.000 2.252 458 I HA -0.224 3.948 4.170 0.002 0.000 0.245 458 I C 2.463 178.573 176.117 -0.010 0.000 1.102 458 I CA 1.794 63.082 61.300 -0.021 0.000 1.385 458 I CB -0.529 37.462 38.000 -0.015 0.000 1.064 458 I HN 0.067 nan 8.210 nan 0.000 0.414 459 H N 1.560 120.584 119.070 -0.078 0.000 2.293 459 H HA -0.081 4.476 4.556 0.002 0.000 0.300 459 H C 2.248 177.498 175.328 -0.129 0.000 1.082 459 H CA 2.203 58.193 56.048 -0.097 0.000 1.308 459 H CB -0.429 29.288 29.762 -0.075 0.000 1.375 459 H HN 0.331 nan 8.280 nan 0.000 0.495 460 S N 0.253 115.786 115.700 -0.278 0.000 2.419 460 S HA -0.108 4.364 4.470 0.002 0.000 0.233 460 S C 1.890 176.284 174.600 -0.344 0.000 1.016 460 S CA 1.074 59.055 58.200 -0.364 0.000 0.974 460 S CB -0.041 63.035 63.200 -0.208 0.000 0.786 460 S HN 0.486 nan 8.310 nan 0.000 0.492 461 E N 1.515 121.563 120.200 -0.253 0.000 2.046 461 E HA -0.056 4.295 4.350 0.002 0.000 0.190 461 E C 2.192 178.637 176.600 -0.259 0.000 0.982 461 E CA 0.923 57.178 56.400 -0.243 0.000 0.800 461 E CB -0.411 29.195 29.700 -0.156 0.000 0.756 461 E HN 0.683 nan 8.360 nan 0.000 0.449 462 I N -0.989 119.447 120.570 -0.223 0.000 2.454 462 I HA -0.218 3.953 4.170 0.002 0.000 0.254 462 I C 2.286 178.230 176.117 -0.289 0.000 1.156 462 I CA 0.899 62.080 61.300 -0.199 0.000 1.433 462 I CB -0.623 37.300 38.000 -0.129 0.000 1.082 462 I HN -0.020 nan 8.210 nan 0.000 0.432 463 L N 1.601 122.565 121.223 -0.431 0.000 1.932 463 L HA -0.217 4.125 4.340 0.002 0.000 0.217 463 L C 2.881 179.461 176.870 -0.482 0.000 1.077 463 L CA 2.052 56.547 54.840 -0.575 0.000 0.765 463 L CB -0.831 40.842 42.059 -0.644 0.000 0.888 463 L HN 0.208 nan 8.230 nan 0.000 0.433 464 K N 0.194 120.249 120.400 -0.575 0.000 2.160 464 K HA -0.230 4.091 4.320 0.002 0.000 0.206 464 K C 2.056 178.512 176.600 -0.240 0.000 1.047 464 K CA 1.591 57.543 56.287 -0.558 0.000 0.930 464 K CB -0.186 31.844 32.500 -0.785 0.000 0.720 464 K HN 0.355 nan 8.250 nan 0.000 0.450 465 K N -0.295 119.982 120.400 -0.205 0.000 2.128 465 K HA -0.023 4.299 4.320 0.002 0.000 0.202 465 K C 2.092 178.659 176.600 -0.056 0.000 1.050 465 K CA 1.640 57.869 56.287 -0.097 0.000 0.966 465 K CB 0.292 32.731 32.500 -0.102 0.000 0.759 465 K HN 0.266 nan 8.250 nan 0.000 0.454 466 T N -2.037 112.465 114.554 -0.086 0.000 3.028 466 T HA 0.194 4.546 4.350 0.002 0.000 0.250 466 T C 1.708 176.387 174.700 -0.035 0.000 0.979 466 T CA -0.201 61.870 62.100 -0.048 0.000 1.004 466 T CB -0.047 68.787 68.868 -0.057 0.000 1.120 466 T HN -0.138 nan 8.240 nan 0.000 0.482 467 I N 0.597 121.098 120.570 -0.116 0.000 2.490 467 I HA 0.269 4.440 4.170 0.002 0.000 0.234 467 I C 0.982 177.154 176.117 0.092 0.000 1.066 467 I CA 0.651 61.882 61.300 -0.116 0.000 1.405 467 I CB -0.118 37.647 38.000 -0.392 0.000 1.191 467 I HN 0.076 nan 8.210 nan 0.000 0.433 468 F N 2.499 122.421 119.950 -0.047 0.000 2.695 468 F HA 0.068 4.597 4.527 0.003 0.000 0.301 468 F C 1.960 177.867 175.800 0.177 0.000 1.182 468 F CA -0.221 57.804 58.000 0.042 0.000 1.412 468 F CB -1.628 37.259 39.000 -0.187 0.000 1.056 468 F HN 0.191 nan 8.300 nan 0.000 0.522 469 K N -0.426 120.138 120.400 0.272 0.000 2.026 469 K HA -0.186 4.136 4.320 0.002 0.000 0.208 469 K C 1.119 177.878 176.600 0.265 0.000 1.048 469 K CA 2.004 58.424 56.287 0.221 0.000 0.929 469 K CB -0.398 32.176 32.500 0.123 0.000 0.713 469 K HN -0.056 nan 8.250 nan 0.000 0.439 470 D N -0.099 120.398 120.400 0.162 0.000 2.384 470 D HA -0.078 4.563 4.640 0.002 0.000 0.222 470 D C 1.122 177.345 176.300 -0.128 0.000 0.976 470 D CA 0.744 54.692 54.000 -0.088 0.000 0.915 470 D CB -0.108 40.535 40.800 -0.262 0.000 0.896 470 D HN 0.270 nan 8.370 nan 0.000 0.523 471 F N -1.170 118.944 119.950 0.275 0.000 2.569 471 F HA 0.003 4.532 4.527 0.002 0.000 0.295 471 F C 1.891 178.005 175.800 0.523 0.000 1.115 471 F CA 0.119 58.345 58.000 0.377 0.000 1.450 471 F CB -0.096 39.157 39.000 0.422 0.000 1.107 471 F HN -0.045 nan 8.300 nan 0.000 0.563 472 Y N 0.897 121.566 120.300 0.615 0.000 2.301 472 Y HA 0.028 4.579 4.550 0.002 0.000 0.295 472 Y C 2.067 178.136 175.900 0.282 0.000 1.119 472 Y CA 1.106 59.508 58.100 0.503 0.000 1.162 472 Y CB -0.425 38.237 38.460 0.337 0.000 1.046 472 Y HN -0.011 nan 8.280 nan 0.000 0.538 473 E N 0.018 120.274 120.200 0.094 0.000 2.118 473 E HA -0.197 4.154 4.350 0.002 0.000 0.195 473 E C 2.117 178.833 176.600 0.192 0.000 0.992 473 E CA 1.360 57.819 56.400 0.099 0.000 0.804 473 E CB -0.238 29.647 29.700 0.308 0.000 0.741 473 E HN 0.375 nan 8.360 nan 0.000 0.458 474 L N 0.302 121.692 121.223 0.277 0.000 2.162 474 L HA 0.025 4.366 4.340 0.002 0.000 0.205 474 L C 0.495 177.439 176.870 0.124 0.000 1.086 474 L CA 1.629 56.628 54.840 0.266 0.000 0.778 474 L CB 0.105 42.358 42.059 0.325 0.000 0.928 474 L HN 0.052 nan 8.230 nan 0.000 0.446 475 E N -0.316 119.920 120.200 0.061 0.000 3.385 475 E HA 0.123 4.475 4.350 0.002 0.000 0.206 475 E C -1.711 174.629 176.600 -0.434 0.000 0.997 475 E CA -1.243 55.073 56.400 -0.140 0.000 1.278 475 E CB 0.696 30.326 29.700 -0.117 0.000 1.165 475 E HN 0.304 nan 8.360 nan 0.000 0.452 476 P HA -0.296 nan 4.420 nan 0.000 0.216 476 P C 1.447 178.831 177.300 0.140 0.000 1.167 476 P CA 1.659 64.609 63.100 -0.250 0.000 0.914 476 P CB -0.282 31.166 31.700 -0.421 0.000 0.793 477 H N -0.041 119.120 119.070 0.153 0.000 2.478 477 H HA -0.164 4.394 4.556 0.002 0.000 0.294 477 H C 1.843 177.250 175.328 0.131 0.000 1.125 477 H CA 1.567 57.697 56.048 0.138 0.000 1.225 477 H CB -0.849 28.955 29.762 0.071 0.000 1.360 477 H HN 0.220 nan 8.280 nan 0.000 0.519 478 K N 0.475 120.716 120.400 -0.266 0.000 2.044 478 K HA -0.021 4.300 4.320 0.002 0.000 0.204 478 K C 0.036 176.587 176.600 -0.081 0.000 1.049 478 K CA 0.153 56.327 56.287 -0.188 0.000 0.945 478 K CB 0.066 32.289 32.500 -0.461 0.000 0.724 478 K HN 0.078 nan 8.250 nan 0.000 0.440 479 F N 3.042 123.041 119.950 0.081 0.000 2.556 479 F HA 0.047 4.576 4.527 0.003 0.000 0.344 479 F C 0.882 176.674 175.800 -0.012 0.000 1.255 479 F CA 0.052 58.078 58.000 0.043 0.000 1.091 479 F CB 0.032 39.056 39.000 0.039 0.000 1.325 479 F HN 0.101 nan 8.300 nan 0.000 0.627 480 Q N 1.516 121.401 119.800 0.142 0.000 2.514 480 Q HA 0.486 4.827 4.340 0.002 0.000 0.169 480 Q C -0.403 175.586 176.000 -0.017 0.000 1.027 480 Q CA -1.153 54.671 55.803 0.035 0.000 0.988 480 Q CB 1.187 29.918 28.738 -0.012 0.000 2.123 480 Q HN 0.483 nan 8.270 nan 0.000 0.480 481 N N -0.901 117.752 118.700 -0.078 0.000 2.710 481 N HA 0.186 4.928 4.740 0.002 0.000 0.257 481 N C -1.847 173.556 175.510 -0.178 0.000 1.327 481 N CA -0.395 52.593 53.050 -0.102 0.000 0.861 481 N CB 1.850 40.284 38.487 -0.089 0.000 1.532 481 N HN 0.459 nan 8.380 nan 0.000 0.499 482 K N 2.173 122.459 120.400 -0.191 0.000 2.987 482 K HA 0.150 4.472 4.320 0.002 0.000 0.224 482 K C -0.943 175.599 176.600 -0.096 0.000 1.209 482 K CA -0.379 55.727 56.287 -0.301 0.000 0.971 482 K CB 0.529 32.546 32.500 -0.806 0.000 1.252 482 K HN 0.733 nan 8.250 nan 0.000 0.580 483 T N 1.170 115.707 114.554 -0.029 0.000 2.828 483 T HA -0.102 4.250 4.350 0.002 0.000 0.282 483 T C 0.812 175.602 174.700 0.150 0.000 1.031 483 T CA 0.338 62.479 62.100 0.068 0.000 1.136 483 T CB 0.244 69.151 68.868 0.065 0.000 1.057 483 T HN 0.220 nan 8.240 nan 0.000 0.499 484 N N 1.057 119.888 118.700 0.219 0.000 2.371 484 N HA 0.541 5.282 4.740 0.002 0.000 0.243 484 N C 0.551 176.251 175.510 0.317 0.000 1.287 484 N CA 0.425 53.661 53.050 0.309 0.000 0.911 484 N CB 0.774 39.405 38.487 0.239 0.000 1.142 484 N HN 0.964 nan 8.380 nan 0.000 0.451 485 G N -0.599 108.420 108.800 0.365 0.000 2.663 485 G HA2 0.654 4.615 3.960 0.002 0.000 0.299 485 G HA3 0.654 4.615 3.960 0.002 0.000 0.299 485 G C -1.505 173.576 174.900 0.301 0.000 1.372 485 G CA -0.310 44.984 45.100 0.324 0.000 0.781 485 G HN 0.398 nan 8.290 nan 0.000 0.491 486 I N -0.517 120.203 120.570 0.251 0.000 2.934 486 I HA 0.567 4.738 4.170 0.002 0.000 0.306 486 I C 0.504 176.776 176.117 0.258 0.000 1.110 486 I CA -0.567 60.875 61.300 0.237 0.000 1.019 486 I CB 2.555 40.627 38.000 0.120 0.000 1.227 486 I HN 0.529 nan 8.210 nan 0.000 0.434 487 T N 5.256 119.985 114.554 0.292 0.000 2.907 487 T HA 0.279 4.630 4.350 0.002 0.000 0.298 487 T C -1.671 173.135 174.700 0.176 0.000 1.017 487 T CA -1.383 60.828 62.100 0.185 0.000 1.118 487 T CB 0.967 69.903 68.868 0.112 0.000 0.948 487 T HN 0.413 nan 8.240 nan 0.000 0.531 488 P HA 0.009 nan 4.420 nan 0.000 0.222 488 P C 1.186 178.478 177.300 -0.013 0.000 1.153 488 P CA 0.589 63.730 63.100 0.069 0.000 0.798 488 P CB 0.304 32.030 31.700 0.044 0.000 0.796 489 R N 0.327 120.767 120.500 -0.100 0.000 2.062 489 R HA -0.046 4.295 4.340 0.002 0.000 0.231 489 R C 2.683 178.902 176.300 -0.136 0.000 1.136 489 R CA 1.540 57.537 56.100 -0.171 0.000 0.948 489 R CB -1.281 28.903 30.300 -0.194 0.000 0.845 489 R HN 0.108 nan 8.270 nan 0.000 0.430 490 R N -0.852 119.530 120.500 -0.196 0.000 2.075 490 R HA -0.088 4.254 4.340 0.002 0.000 0.232 490 R C 0.732 176.850 176.300 -0.304 0.000 1.126 490 R CA 1.451 57.312 56.100 -0.399 0.000 0.963 490 R CB -0.155 29.692 30.300 -0.755 0.000 0.858 490 R HN 0.302 nan 8.270 nan 0.000 0.435 491 W N 0.259 121.513 121.300 -0.077 0.000 3.364 491 W HA 0.238 4.900 4.660 0.003 0.000 0.397 491 W C 0.908 177.390 176.519 -0.062 0.000 1.107 491 W CA -0.713 56.582 57.345 -0.083 0.000 1.892 491 W CB 0.624 30.038 29.460 -0.076 0.000 1.027 491 W HN 0.215 nan 8.180 nan 0.000 0.761 492 L N -2.420 118.890 121.223 0.144 0.000 1.645 492 L HA -0.039 4.302 4.340 0.002 0.000 0.177 492 L C 1.319 178.227 176.870 0.063 0.000 1.266 492 L CA 0.494 55.395 54.840 0.101 0.000 1.244 492 L CB -0.608 41.525 42.059 0.124 0.000 2.568 492 L HN -0.195 nan 8.230 nan 0.000 0.502 493 V N 1.450 121.378 119.914 0.024 0.000 2.256 493 V HA -0.200 3.921 4.120 0.002 0.000 0.240 493 V C 2.383 178.468 176.094 -0.015 0.000 1.036 493 V CA 1.992 64.295 62.300 0.005 0.000 1.008 493 V CB -0.432 31.357 31.823 -0.058 0.000 0.648 493 V HN 0.418 nan 8.190 nan 0.000 0.453 494 L N 0.783 121.974 121.223 -0.054 0.000 1.989 494 L HA -0.245 4.097 4.340 0.002 0.000 0.211 494 L C 2.540 179.362 176.870 -0.080 0.000 1.071 494 L CA 2.682 57.473 54.840 -0.082 0.000 0.749 494 L CB -0.367 41.608 42.059 -0.141 0.000 0.890 494 L HN 0.689 nan 8.230 nan 0.000 0.431 495 C N -0.502 118.751 119.300 -0.079 0.000 2.522 495 C HA 0.099 4.560 4.460 0.002 0.000 0.271 495 C C 1.149 176.131 174.990 -0.014 0.000 1.425 495 C CA -0.113 58.875 59.018 -0.049 0.000 1.751 495 C CB -1.171 26.568 27.740 -0.003 0.000 1.775 495 C HN 0.634 nan 8.230 nan 0.000 0.557 496 N N 0.670 119.371 118.700 0.002 0.000 2.687 496 N HA 0.256 4.998 4.740 0.002 0.000 0.275 496 N C -1.887 173.634 175.510 0.018 0.000 1.789 496 N CA -1.181 51.875 53.050 0.009 0.000 0.806 496 N CB 0.856 39.354 38.487 0.019 0.000 1.256 496 N HN 0.246 nan 8.380 nan 0.000 0.500 497 P HA -0.109 nan 4.420 nan 0.000 0.217 497 P C 1.334 178.649 177.300 0.025 0.000 1.148 497 P CA 1.108 64.219 63.100 0.019 0.000 0.828 497 P CB 0.298 32.002 31.700 0.007 0.000 0.783 498 G N 0.461 109.270 108.800 0.016 0.000 2.434 498 G HA2 -0.217 3.745 3.960 0.002 0.000 0.214 498 G HA3 -0.217 3.745 3.960 0.002 0.000 0.214 498 G C 1.486 176.397 174.900 0.018 0.000 1.202 498 G CA 0.449 45.557 45.100 0.014 0.000 0.788 498 G HN 0.254 nan 8.290 nan 0.000 0.539 499 L N 1.136 122.366 121.223 0.012 0.000 2.376 499 L HA 0.280 4.621 4.340 0.002 0.000 0.219 499 L C 2.945 179.830 176.870 0.026 0.000 1.133 499 L CA 1.421 56.263 54.840 0.005 0.000 0.816 499 L CB -0.151 41.902 42.059 -0.009 0.000 0.933 499 L HN 0.246 nan 8.230 nan 0.000 0.449 500 A N -1.019 121.837 122.820 0.059 0.000 1.929 500 A HA -0.187 4.134 4.320 0.002 0.000 0.216 500 A C 2.221 179.882 177.584 0.128 0.000 1.176 500 A CA 1.470 53.584 52.037 0.129 0.000 0.628 500 A CB -0.382 18.691 19.000 0.123 0.000 0.816 500 A HN 0.488 nan 8.150 nan 0.000 0.444 501 E N 0.171 120.418 120.200 0.077 0.000 2.015 501 E HA -0.166 4.185 4.350 0.002 0.000 0.191 501 E C 1.943 178.579 176.600 0.061 0.000 0.991 501 E CA 1.649 58.088 56.400 0.065 0.000 0.802 501 E CB -0.309 29.416 29.700 0.043 0.000 0.759 501 E HN 0.754 nan 8.360 nan 0.000 0.447 502 I N -1.273 119.336 120.570 0.065 0.000 2.394 502 I HA -0.142 4.030 4.170 0.002 0.000 0.251 502 I C 2.014 178.185 176.117 0.090 0.000 1.136 502 I CA 1.115 62.477 61.300 0.104 0.000 1.425 502 I CB -0.299 37.799 38.000 0.163 0.000 1.079 502 I HN 0.074 nan 8.210 nan 0.000 0.425 503 I N 1.730 122.317 120.570 0.027 0.000 2.439 503 I HA -0.132 4.039 4.170 0.002 0.000 0.251 503 I C 2.992 179.028 176.117 -0.134 0.000 1.139 503 I CA 0.940 62.165 61.300 -0.125 0.000 1.438 503 I CB -0.577 37.180 38.000 -0.406 0.000 1.085 503 I HN 0.319 nan 8.210 nan 0.000 0.427 504 A N 1.253 124.098 122.820 0.042 0.000 1.834 504 A HA -0.245 4.076 4.320 0.002 0.000 0.216 504 A C 2.136 179.726 177.584 0.011 0.000 1.203 504 A CA 1.823 53.938 52.037 0.130 0.000 0.621 504 A CB -0.836 18.254 19.000 0.149 0.000 0.841 504 A HN 0.403 nan 8.150 nan 0.000 0.446 505 E N -0.699 119.495 120.200 -0.010 0.000 2.170 505 E HA -0.313 4.039 4.350 0.002 0.000 0.229 505 E C 2.047 178.575 176.600 -0.119 0.000 1.074 505 E CA 1.881 58.254 56.400 -0.045 0.000 0.930 505 E CB -0.379 29.299 29.700 -0.035 0.000 0.806 505 E HN 0.458 nan 8.360 nan 0.000 0.478 506 R N 0.132 120.460 120.500 -0.286 0.000 2.236 506 R HA -0.003 4.339 4.340 0.002 0.000 0.208 506 R C 2.170 178.278 176.300 -0.320 0.000 1.036 506 R CA 1.019 56.827 56.100 -0.487 0.000 1.001 506 R CB -0.198 29.287 30.300 -1.358 0.000 0.896 506 R HN 0.513 nan 8.270 nan 0.000 0.464 507 I N -5.365 115.090 120.570 -0.192 0.000 4.665 507 I HA 0.396 4.568 4.170 0.002 0.000 0.360 507 I C 0.403 176.544 176.117 0.040 0.000 1.259 507 I CA -0.035 61.227 61.300 -0.063 0.000 1.301 507 I CB 0.769 38.731 38.000 -0.064 0.000 1.746 507 I HN 0.057 nan 8.210 nan 0.000 0.598 508 G N 2.124 110.966 108.800 0.070 0.000 2.888 508 G HA2 -0.266 3.695 3.960 0.002 0.000 0.441 508 G HA3 -0.266 3.695 3.960 0.002 0.000 0.441 508 G C 0.314 175.319 174.900 0.175 0.000 1.461 508 G CA 0.435 45.600 45.100 0.109 0.000 0.897 508 G HN 0.478 nan 8.290 nan 0.000 0.547 509 E N -0.278 119.952 120.200 0.050 0.000 2.219 509 E HA -0.191 4.161 4.350 0.002 0.000 0.198 509 E C 2.204 178.695 176.600 -0.182 0.000 0.998 509 E CA 1.512 57.833 56.400 -0.131 0.000 0.818 509 E CB -0.045 29.593 29.700 -0.103 0.000 0.741 509 E HN 0.635 nan 8.360 nan 0.000 0.477 510 E N -0.535 119.647 120.200 -0.030 0.000 2.267 510 E HA -0.241 4.110 4.350 0.002 0.000 0.197 510 E C 1.747 178.327 176.600 -0.033 0.000 0.998 510 E CA 1.290 57.674 56.400 -0.027 0.000 0.830 510 E CB -0.220 29.493 29.700 0.021 0.000 0.751 510 E HN 0.503 nan 8.360 nan 0.000 0.491 511 Y N -0.346 119.949 120.300 -0.008 0.000 2.102 511 Y HA -0.264 4.287 4.550 0.003 0.000 0.280 511 Y C 1.812 177.690 175.900 -0.038 0.000 1.178 511 Y CA 1.481 59.571 58.100 -0.017 0.000 1.146 511 Y CB -0.797 37.654 38.460 -0.014 0.000 0.968 511 Y HN -0.003 nan 8.280 nan 0.000 0.504 512 I N -0.087 120.052 120.570 -0.719 0.000 2.423 512 I HA -0.261 3.910 4.170 0.002 0.000 0.254 512 I C 2.302 178.217 176.117 -0.337 0.000 1.151 512 I CA 1.985 62.934 61.300 -0.586 0.000 1.421 512 I CB -0.443 37.102 38.000 -0.758 0.000 1.079 512 I HN 0.417 nan 8.210 nan 0.000 0.431 513 S N -1.342 114.237 115.700 -0.201 0.000 2.559 513 S HA 0.045 4.516 4.470 0.002 0.000 0.226 513 S C 0.168 174.751 174.600 -0.029 0.000 1.000 513 S CA -0.182 57.972 58.200 -0.077 0.000 0.948 513 S CB 0.087 63.292 63.200 0.007 0.000 0.870 513 S HN 0.325 nan 8.310 nan 0.000 0.497 514 D N 0.890 121.279 120.400 -0.019 0.000 2.752 514 D HA 0.146 4.787 4.640 0.002 0.000 0.242 514 D C 0.284 176.611 176.300 0.046 0.000 1.295 514 D CA -0.256 53.751 54.000 0.012 0.000 0.846 514 D CB 0.318 41.127 40.800 0.016 0.000 1.454 514 D HN 0.160 nan 8.370 nan 0.000 0.535 515 L N 1.481 122.733 121.223 0.049 0.000 2.201 515 L HA 0.033 4.374 4.340 0.002 0.000 0.212 515 L C 1.558 178.463 176.870 0.058 0.000 1.105 515 L CA 1.352 56.242 54.840 0.083 0.000 0.775 515 L CB 0.037 42.145 42.059 0.081 0.000 0.913 515 L HN 0.236 nan 8.230 nan 0.000 0.440 516 D N -0.787 119.623 120.400 0.018 0.000 2.392 516 D HA -0.183 4.458 4.640 0.002 0.000 0.228 516 D C 1.784 178.096 176.300 0.021 0.000 1.003 516 D CA 0.380 54.382 54.000 0.002 0.000 0.917 516 D CB 0.166 40.948 40.800 -0.030 0.000 0.890 516 D HN 0.472 nan 8.370 nan 0.000 0.532 517 Q N -0.200 119.627 119.800 0.045 0.000 2.541 517 Q HA 0.015 4.356 4.340 0.002 0.000 0.215 517 Q C 1.630 177.661 176.000 0.052 0.000 0.977 517 Q CA 0.214 56.050 55.803 0.056 0.000 0.934 517 Q CB 0.102 28.890 28.738 0.083 0.000 0.988 517 Q HN 0.344 nan 8.270 nan 0.000 0.521 518 L N -0.472 120.776 121.223 0.040 0.000 2.599 518 L HA 0.023 4.365 4.340 0.002 0.000 0.230 518 L C 1.843 178.727 176.870 0.023 0.000 1.141 518 L CA 0.219 55.063 54.840 0.006 0.000 0.877 518 L CB -0.121 41.939 42.059 0.001 0.000 1.009 518 L HN 0.167 nan 8.230 nan 0.000 0.447 519 R N 0.439 120.958 120.500 0.032 0.000 2.189 519 R HA -0.112 4.230 4.340 0.002 0.000 0.223 519 R C 1.933 178.267 176.300 0.058 0.000 1.092 519 R CA 0.664 56.788 56.100 0.040 0.000 0.989 519 R CB -0.082 30.234 30.300 0.027 0.000 0.876 519 R HN 0.359 nan 8.270 nan 0.000 0.457 520 K N 0.395 120.829 120.400 0.057 0.000 2.160 520 K HA -0.171 4.150 4.320 0.002 0.000 0.206 520 K C 1.717 178.421 176.600 0.172 0.000 1.047 520 K CA 1.087 57.429 56.287 0.091 0.000 0.930 520 K CB -0.136 32.404 32.500 0.067 0.000 0.720 520 K HN 0.025 nan 8.250 nan 0.000 0.450 521 L N 0.622 121.914 121.223 0.116 0.000 2.275 521 L HA -0.135 4.207 4.340 0.002 0.000 0.215 521 L C 1.827 178.868 176.870 0.285 0.000 1.119 521 L CA 1.063 56.010 54.840 0.179 0.000 0.790 521 L CB -0.409 41.723 42.059 0.122 0.000 0.919 521 L HN 0.131 nan 8.230 nan 0.000 0.443 522 L N -1.037 120.288 121.223 0.171 0.000 2.187 522 L HA -0.190 4.152 4.340 0.002 0.000 0.213 522 L C 2.533 179.465 176.870 0.103 0.000 1.100 522 L CA 1.300 56.215 54.840 0.126 0.000 0.765 522 L CB -1.307 40.795 42.059 0.071 0.000 0.904 522 L HN 0.284 nan 8.230 nan 0.000 0.437 523 S N -1.006 114.740 115.700 0.077 0.000 2.353 523 S HA -0.229 4.243 4.470 0.002 0.000 0.222 523 S C 1.727 176.235 174.600 -0.153 0.000 1.035 523 S CA 1.406 59.538 58.200 -0.113 0.000 1.025 523 S CB -0.608 62.388 63.200 -0.341 0.000 0.902 523 S HN 0.447 nan 8.310 nan 0.000 0.440 524 Y N 1.492 121.792 120.300 -0.000 0.000 2.632 524 Y HA 0.089 4.640 4.550 0.002 0.000 0.301 524 Y C 2.099 178.096 175.900 0.161 0.000 1.172 524 Y CA -0.494 57.627 58.100 0.036 0.000 1.328 524 Y CB -0.975 37.409 38.460 -0.127 0.000 1.016 524 Y HN 0.010 nan 8.280 nan 0.000 0.529 525 V N 0.213 120.262 119.914 0.225 0.000 2.527 525 V HA -0.320 3.801 4.120 0.002 0.000 0.255 525 V C 1.377 177.544 176.094 0.122 0.000 1.081 525 V CA 2.326 64.724 62.300 0.164 0.000 1.092 525 V CB -0.201 31.678 31.823 0.093 0.000 0.673 525 V HN 0.486 nan 8.190 nan 0.000 0.470 526 D N -1.343 119.113 120.400 0.094 0.000 2.513 526 D HA 0.088 4.729 4.640 0.002 0.000 0.222 526 D C 0.167 176.511 176.300 0.073 0.000 1.210 526 D CA -0.091 53.949 54.000 0.067 0.000 0.825 526 D CB 0.382 41.200 40.800 0.030 0.000 1.037 526 D HN 0.483 nan 8.370 nan 0.000 0.506 527 D N 1.603 122.072 120.400 0.115 0.000 2.344 527 D HA -0.030 4.612 4.640 0.002 0.000 0.253 527 D C 1.362 177.755 176.300 0.156 0.000 1.255 527 D CA 0.145 54.215 54.000 0.117 0.000 0.894 527 D CB 0.890 41.777 40.800 0.146 0.000 1.067 527 D HN -0.244 nan 8.370 nan 0.000 0.492 528 E N 3.020 123.279 120.200 0.099 0.000 2.273 528 E HA -0.212 4.139 4.350 0.002 0.000 0.198 528 E C 1.603 178.266 176.600 0.105 0.000 1.002 528 E CA 0.943 57.395 56.400 0.087 0.000 0.828 528 E CB -0.103 29.629 29.700 0.054 0.000 0.747 528 E HN 0.689 nan 8.360 nan 0.000 0.491 529 A N 0.721 123.620 122.820 0.132 0.000 1.854 529 A HA -0.152 4.169 4.320 0.002 0.000 0.214 529 A C 2.024 179.743 177.584 0.225 0.000 1.192 529 A CA 0.875 52.998 52.037 0.143 0.000 0.611 529 A CB -0.726 18.355 19.000 0.134 0.000 0.832 529 A HN 0.216 nan 8.150 nan 0.000 0.442 530 F N 0.806 120.801 119.950 0.076 0.000 2.091 530 F HA -0.168 4.360 4.527 0.002 0.000 0.299 530 F C 2.097 177.925 175.800 0.046 0.000 1.103 530 F CA 1.243 59.281 58.000 0.064 0.000 1.228 530 F CB -0.555 38.516 39.000 0.119 0.000 0.984 530 F HN 0.167 nan 8.300 nan 0.000 0.477 531 I N 0.497 121.154 120.570 0.145 0.000 2.493 531 I HA -0.279 3.892 4.170 0.002 0.000 0.254 531 I C 2.499 178.615 176.117 -0.001 0.000 1.160 531 I CA 1.178 62.485 61.300 0.011 0.000 1.445 531 I CB -0.432 37.603 38.000 0.058 0.000 1.086 531 I HN 0.153 nan 8.210 nan 0.000 0.433 532 R N 0.604 121.124 120.500 0.034 0.000 2.115 532 R HA -0.102 4.239 4.340 0.002 0.000 0.226 532 R C 1.228 177.524 176.300 -0.007 0.000 1.100 532 R CA 1.339 57.447 56.100 0.013 0.000 0.980 532 R CB -0.632 29.683 30.300 0.025 0.000 0.875 532 R HN 0.300 nan 8.270 nan 0.000 0.445 533 D N 1.364 121.766 120.400 0.003 0.000 2.123 533 D HA -0.062 4.579 4.640 0.002 0.000 0.200 533 D C 2.205 178.444 176.300 -0.101 0.000 0.976 533 D CA 1.004 54.997 54.000 -0.011 0.000 0.831 533 D CB -0.175 40.674 40.800 0.082 0.000 0.974 533 D HN 0.080 nan 8.370 nan 0.000 0.469 534 V N 1.976 121.739 119.914 -0.253 0.000 2.237 534 V HA -0.237 3.885 4.120 0.002 0.000 0.245 534 V C 2.676 178.710 176.094 -0.101 0.000 1.046 534 V CA 1.962 64.101 62.300 -0.268 0.000 1.007 534 V CB -0.992 30.575 31.823 -0.427 0.000 0.638 534 V HN 0.185 nan 8.190 nan 0.000 0.445 535 A N -0.041 122.746 122.820 -0.056 0.000 1.978 535 A HA -0.291 4.031 4.320 0.002 0.000 0.220 535 A C 2.222 179.791 177.584 -0.026 0.000 1.170 535 A CA 2.404 54.437 52.037 -0.006 0.000 0.636 535 A CB -0.504 18.495 19.000 -0.002 0.000 0.810 535 A HN 0.506 nan 8.150 nan 0.000 0.448 536 K N -0.465 119.916 120.400 -0.032 0.000 2.097 536 K HA 0.005 4.326 4.320 0.002 0.000 0.205 536 K C 1.684 178.269 176.600 -0.026 0.000 1.050 536 K CA 1.487 57.757 56.287 -0.028 0.000 0.938 536 K CB -0.611 31.878 32.500 -0.017 0.000 0.718 536 K HN 0.125 nan 8.250 nan 0.000 0.442 537 V N 0.778 120.676 119.914 -0.027 0.000 2.343 537 V HA -0.220 3.901 4.120 0.002 0.000 0.247 537 V C 2.172 178.255 176.094 -0.018 0.000 1.051 537 V CA 1.997 64.284 62.300 -0.020 0.000 1.036 537 V CB -0.324 31.484 31.823 -0.025 0.000 0.654 537 V HN 0.342 nan 8.190 nan 0.000 0.451 538 K N -0.132 120.259 120.400 -0.015 0.000 2.148 538 K HA -0.183 4.138 4.320 0.002 0.000 0.204 538 K C 2.181 178.749 176.600 -0.054 0.000 1.050 538 K CA 1.482 57.761 56.287 -0.013 0.000 0.942 538 K CB -0.318 32.197 32.500 0.025 0.000 0.724 538 K HN 0.573 nan 8.250 nan 0.000 0.446 539 Q N 0.459 120.223 119.800 -0.060 0.000 2.084 539 Q HA -0.205 4.136 4.340 0.002 0.000 0.202 539 Q C 1.273 177.234 176.000 -0.065 0.000 0.978 539 Q CA 1.863 57.615 55.803 -0.085 0.000 0.844 539 Q CB 0.024 28.722 28.738 -0.067 0.000 0.898 539 Q HN 0.438 nan 8.270 nan 0.000 0.426 540 E N -0.056 120.123 120.200 -0.035 0.000 2.216 540 E HA -0.080 4.271 4.350 0.002 0.000 0.192 540 E C 1.646 178.248 176.600 0.003 0.000 0.988 540 E CA 0.874 57.266 56.400 -0.013 0.000 0.834 540 E CB 0.046 29.742 29.700 -0.007 0.000 0.772 540 E HN 0.486 nan 8.360 nan 0.000 0.479 541 N N 0.898 119.597 118.700 -0.003 0.000 2.109 541 N HA -0.123 4.619 4.740 0.002 0.000 0.188 541 N C 1.593 177.138 175.510 0.058 0.000 1.034 541 N CA 0.838 53.897 53.050 0.015 0.000 0.846 541 N CB 0.030 38.515 38.487 -0.004 0.000 1.010 541 N HN -0.006 nan 8.380 nan 0.000 0.425 542 K N 1.026 121.434 120.400 0.012 0.000 2.044 542 K HA -0.120 4.201 4.320 0.002 0.000 0.210 542 K C 1.924 178.593 176.600 0.116 0.000 1.049 542 K CA 0.897 57.202 56.287 0.030 0.000 0.927 542 K CB -0.211 32.018 32.500 -0.452 0.000 0.713 542 K HN 0.090 nan 8.250 nan 0.000 0.443 543 L N 1.607 122.846 121.223 0.026 0.000 2.051 543 L HA -0.263 4.079 4.340 0.002 0.000 0.214 543 L C 1.938 178.868 176.870 0.101 0.000 1.076 543 L CA 2.002 56.872 54.840 0.050 0.000 0.758 543 L CB -0.658 41.412 42.059 0.019 0.000 0.890 543 L HN 0.206 nan 8.230 nan 0.000 0.433 544 K N -1.961 118.511 120.400 0.119 0.000 2.186 544 K HA -0.125 4.196 4.320 0.002 0.000 0.202 544 K C 1.880 178.607 176.600 0.212 0.000 1.052 544 K CA 0.618 56.984 56.287 0.132 0.000 0.965 544 K CB -0.254 32.310 32.500 0.107 0.000 0.746 544 K HN 0.019 nan 8.250 nan 0.000 0.457 545 F N 1.781 121.778 119.950 0.078 0.000 2.234 545 F HA -0.025 4.503 4.527 0.002 0.000 0.299 545 F C 2.043 177.924 175.800 0.136 0.000 1.087 545 F CA 0.652 58.702 58.000 0.083 0.000 1.340 545 F CB -0.405 38.654 39.000 0.100 0.000 1.031 545 F HN -0.011 nan 8.300 nan 0.000 0.500 546 A N 0.341 123.292 122.820 0.218 0.000 1.917 546 A HA -0.166 4.155 4.320 0.002 0.000 0.219 546 A C 2.460 180.045 177.584 0.002 0.000 1.182 546 A CA 2.065 54.153 52.037 0.086 0.000 0.633 546 A CB -1.512 17.565 19.000 0.128 0.000 0.819 546 A HN 0.442 nan 8.150 nan 0.000 0.448 547 A N -1.600 121.251 122.820 0.051 0.000 1.898 547 A HA -0.067 4.255 4.320 0.002 0.000 0.216 547 A C 2.158 179.766 177.584 0.040 0.000 1.181 547 A CA 1.648 53.711 52.037 0.044 0.000 0.620 547 A CB -0.777 18.262 19.000 0.065 0.000 0.819 547 A HN 0.819 nan 8.150 nan 0.000 0.442 548 Y N 0.056 120.290 120.300 -0.109 0.000 2.242 548 Y HA -0.042 4.510 4.550 0.002 0.000 0.291 548 Y C 1.409 177.153 175.900 -0.259 0.000 1.137 548 Y CA 1.008 59.007 58.100 -0.170 0.000 1.181 548 Y CB -0.292 38.089 38.460 -0.133 0.000 0.989 548 Y HN 0.148 nan 8.280 nan 0.000 0.527 549 L N 1.075 122.269 121.223 -0.049 0.000 2.700 549 L HA -0.066 4.275 4.340 0.002 0.000 0.240 549 L C 1.308 178.132 176.870 -0.077 0.000 1.162 549 L CA 1.091 55.852 54.840 -0.132 0.000 0.874 549 L CB -0.717 41.149 42.059 -0.321 0.000 1.001 549 L HN 0.357 nan 8.230 nan 0.000 0.447 550 E N -1.984 118.173 120.200 -0.071 0.000 2.441 550 E HA 0.089 4.440 4.350 0.002 0.000 0.207 550 E C 1.882 178.438 176.600 -0.074 0.000 0.803 550 E CA 0.014 56.391 56.400 -0.039 0.000 1.240 550 E CB 0.202 29.898 29.700 -0.007 0.000 1.233 550 E HN 0.305 nan 8.360 nan 0.000 0.590 551 R N 1.209 121.632 120.500 -0.128 0.000 2.066 551 R HA 0.039 4.380 4.340 0.002 0.000 0.224 551 R C 0.164 176.312 176.300 -0.252 0.000 1.122 551 R CA 0.960 56.969 56.100 -0.151 0.000 0.974 551 R CB 0.422 30.649 30.300 -0.121 0.000 0.871 551 R HN -0.064 nan 8.270 nan 0.000 0.435 552 E N 0.380 120.266 120.200 -0.523 0.000 2.795 552 E HA 0.220 4.571 4.350 0.002 0.000 0.226 552 E C -1.535 174.473 176.600 -0.986 0.000 1.088 552 E CA -0.470 55.484 56.400 -0.743 0.000 0.812 552 E CB 0.807 29.837 29.700 -1.118 0.000 1.328 552 E HN 0.089 nan 8.360 nan 0.000 0.410 553 Y N -1.307 118.858 120.300 -0.225 0.000 2.822 553 Y HA -0.147 4.404 4.550 0.002 0.000 0.349 553 Y C -0.852 174.996 175.900 -0.086 0.000 1.046 553 Y CA -1.124 56.907 58.100 -0.115 0.000 1.246 553 Y CB -0.968 37.446 38.460 -0.076 0.000 2.311 553 Y HN 0.223 nan 8.280 nan 0.000 0.466 554 K N -0.362 120.108 120.400 0.117 0.000 2.498 554 K HA 0.889 5.211 4.320 0.002 0.000 0.254 554 K C -0.307 176.318 176.600 0.042 0.000 0.933 554 K CA -0.179 56.139 56.287 0.053 0.000 0.806 554 K CB 2.757 35.289 32.500 0.052 0.000 1.301 554 K HN 0.632 nan 8.250 nan 0.000 0.432 555 V N -2.081 117.852 119.914 0.031 0.000 3.524 555 V HA 0.149 4.271 4.120 0.002 0.000 0.257 555 V C -0.042 176.095 176.094 0.072 0.000 1.775 555 V CA -0.315 62.002 62.300 0.028 0.000 1.072 555 V CB -0.744 31.064 31.823 -0.025 0.000 0.940 555 V HN 1.090 nan 8.190 nan 0.000 0.357 556 H N 2.704 121.774 119.070 -0.000 0.000 2.862 556 H HA -0.145 4.412 4.556 0.002 0.000 0.299 556 H C -0.837 174.497 175.328 0.009 0.000 0.877 556 H CA 0.660 56.714 56.048 0.010 0.000 0.955 556 H CB -0.228 29.545 29.762 0.018 0.000 1.579 556 H HN 0.370 nan 8.280 nan 0.000 0.321 557 I N 4.242 124.562 120.570 -0.417 0.000 2.499 557 I HA 0.086 4.258 4.170 0.002 0.000 0.296 557 I C 1.074 176.951 176.117 -0.401 0.000 0.992 557 I CA -0.312 60.817 61.300 -0.286 0.000 1.297 557 I CB 1.327 39.262 38.000 -0.108 0.000 1.410 557 I HN 0.529 nan 8.210 nan 0.000 0.507 558 N N 7.002 125.621 118.700 -0.136 0.000 2.469 558 N HA 0.302 5.043 4.740 0.002 0.000 0.253 558 N C -2.148 173.398 175.510 0.060 0.000 0.970 558 N CA -2.105 50.908 53.050 -0.062 0.000 0.940 558 N CB 1.968 40.466 38.487 0.019 0.000 1.128 558 N HN 0.142 nan 8.380 nan 0.000 0.503 559 P HA -0.077 nan 4.420 nan 0.000 0.217 559 P C 0.041 177.246 177.300 -0.158 0.000 1.148 559 P CA 1.301 64.373 63.100 -0.047 0.000 0.834 559 P CB 0.265 31.940 31.700 -0.041 0.000 0.783 560 N N -1.317 117.352 118.700 -0.052 0.000 2.421 560 N HA 0.011 4.752 4.740 0.002 0.000 0.201 560 N C -0.183 175.346 175.510 0.032 0.000 1.198 560 N CA 0.085 53.113 53.050 -0.038 0.000 0.838 560 N CB -0.284 38.198 38.487 -0.007 0.000 1.011 560 N HN 0.208 nan 8.380 nan 0.000 0.463 561 S N -0.680 115.051 115.700 0.051 0.000 2.654 561 S HA 0.318 4.789 4.470 0.002 0.000 0.283 561 S C 0.116 174.740 174.600 0.040 0.000 1.180 561 S CA -0.966 57.308 58.200 0.123 0.000 1.021 561 S CB 1.458 64.763 63.200 0.176 0.000 1.018 561 S HN 0.133 nan 8.310 nan 0.000 0.532 562 L N 2.771 123.891 121.223 -0.172 0.000 2.704 562 L HA 0.150 4.491 4.340 0.002 0.000 0.279 562 L C -0.724 176.142 176.870 -0.008 0.000 1.147 562 L CA -0.297 54.258 54.840 -0.475 0.000 0.994 562 L CB -0.625 41.055 42.059 -0.632 0.000 1.332 562 L HN 0.621 nan 8.230 nan 0.000 0.471 563 F N 2.582 122.403 119.950 -0.215 0.000 2.604 563 F HA -0.001 4.527 4.527 0.002 0.000 0.337 563 F C 0.880 176.623 175.800 -0.095 0.000 1.294 563 F CA -0.537 57.407 58.000 -0.093 0.000 1.066 563 F CB -0.640 38.345 39.000 -0.025 0.000 1.391 563 F HN 0.382 nan 8.300 nan 0.000 0.652 564 D N 3.417 123.807 120.400 -0.017 0.000 2.422 564 D HA 0.242 4.884 4.640 0.002 0.000 0.227 564 D C -0.599 175.646 176.300 -0.091 0.000 1.190 564 D CA 0.047 54.005 54.000 -0.070 0.000 0.905 564 D CB 0.630 41.387 40.800 -0.071 0.000 1.034 564 D HN 0.227 nan 8.370 nan 0.000 0.507 565 V N 1.832 121.680 119.914 -0.110 0.000 2.715 565 V HA 0.626 4.748 4.120 0.002 0.000 0.310 565 V C -0.986 174.993 176.094 -0.191 0.000 1.054 565 V CA -0.793 61.435 62.300 -0.119 0.000 0.928 565 V CB 1.963 33.774 31.823 -0.020 0.000 1.007 565 V HN 0.443 nan 8.190 nan 0.000 0.437 566 Q N 3.147 122.842 119.800 -0.174 0.000 2.397 566 Q HA 0.612 4.954 4.340 0.002 0.000 0.260 566 Q C -1.372 174.483 176.000 -0.242 0.000 1.002 566 Q CA -0.683 55.003 55.803 -0.196 0.000 0.716 566 Q CB 1.962 30.603 28.738 -0.162 0.000 1.258 566 Q HN 1.175 nan 8.270 nan 0.000 0.477 567 V N 1.593 121.351 119.914 -0.261 0.000 2.266 567 V HA 0.670 4.791 4.120 0.002 0.000 0.271 567 V C -0.602 175.306 176.094 -0.310 0.000 1.032 567 V CA -0.659 61.347 62.300 -0.490 0.000 0.806 567 V CB 0.657 31.972 31.823 -0.846 0.000 1.052 567 V HN 0.468 nan 8.190 nan 0.000 0.449 568 K N 2.409 122.683 120.400 -0.210 0.000 2.409 568 K HA 0.543 4.864 4.320 0.002 0.000 0.252 568 K C -0.435 176.150 176.600 -0.026 0.000 1.036 568 K CA -1.103 55.121 56.287 -0.105 0.000 0.871 568 K CB 2.389 34.802 32.500 -0.146 0.000 1.374 568 K HN 0.751 nan 8.250 nan 0.000 0.459 569 R N 1.721 122.229 120.500 0.013 0.000 2.458 569 R HA 0.077 4.418 4.340 0.002 0.000 0.303 569 R C 0.054 176.398 176.300 0.073 0.000 1.013 569 R CA -0.167 55.985 56.100 0.086 0.000 1.026 569 R CB 0.061 30.440 30.300 0.131 0.000 0.948 569 R HN 0.402 nan 8.270 nan 0.000 0.417 570 I N 6.374 127.003 120.570 0.098 0.000 2.573 570 I HA -0.016 4.155 4.170 0.002 0.000 0.295 570 I C 0.073 176.237 176.117 0.078 0.000 1.141 570 I CA 0.741 62.070 61.300 0.048 0.000 1.364 570 I CB -0.707 37.331 38.000 0.062 0.000 1.447 570 I HN 0.606 nan 8.210 nan 0.000 0.571 571 H N 5.872 124.930 119.070 -0.019 0.000 2.865 571 H HA 0.204 4.761 4.556 0.002 0.000 0.362 571 H C 0.689 176.020 175.328 0.005 0.000 1.114 571 H CA -0.447 55.687 56.048 0.143 0.000 1.208 571 H CB 1.487 31.413 29.762 0.273 0.000 1.727 571 H HN 0.538 nan 8.280 nan 0.000 0.534 572 E N 2.443 122.869 120.200 0.377 0.000 2.132 572 E HA -0.353 3.999 4.350 0.002 0.000 0.218 572 E C 1.201 177.820 176.600 0.032 0.000 1.058 572 E CA 2.732 59.302 56.400 0.283 0.000 0.882 572 E CB -0.333 29.641 29.700 0.458 0.000 0.774 572 E HN 0.697 nan 8.360 nan 0.000 0.467 573 Y N 0.387 120.391 120.300 -0.493 0.000 2.571 573 Y HA 0.107 4.658 4.550 0.002 0.000 0.294 573 Y C 1.666 177.295 175.900 -0.453 0.000 1.141 573 Y CA 0.676 58.184 58.100 -0.987 0.000 1.308 573 Y CB -0.116 37.331 38.460 -1.688 0.000 1.002 573 Y HN -0.197 nan 8.280 nan 0.000 0.551 574 K N 1.150 120.993 120.400 -0.928 0.000 2.366 574 K HA 0.077 4.399 4.320 0.002 0.000 0.198 574 K C 0.345 176.732 176.600 -0.355 0.000 1.044 574 K CA 0.391 56.246 56.287 -0.719 0.000 0.973 574 K CB -0.067 32.041 32.500 -0.654 0.000 0.767 574 K HN 0.300 nan 8.250 nan 0.000 0.475 575 R N 0.499 120.844 120.500 -0.258 0.000 3.416 575 R HA -0.178 4.163 4.340 0.002 0.000 0.263 575 R C 0.201 176.416 176.300 -0.142 0.000 1.053 575 R CA 0.658 56.661 56.100 -0.161 0.000 0.705 575 R CB -1.594 28.618 30.300 -0.147 0.000 1.124 575 R HN 0.354 nan 8.270 nan 0.000 0.444 576 Q N -0.023 119.701 119.800 -0.128 0.000 2.576 576 Q HA -0.130 4.211 4.340 0.002 0.000 0.218 576 Q C 1.471 177.419 176.000 -0.087 0.000 0.983 576 Q CA 1.072 56.814 55.803 -0.102 0.000 0.920 576 Q CB -0.003 28.687 28.738 -0.081 0.000 0.973 576 Q HN 0.634 nan 8.270 nan 0.000 0.528 577 L N -0.415 120.759 121.223 -0.082 0.000 2.307 577 L HA -0.058 4.284 4.340 0.002 0.000 0.211 577 L C 2.024 178.886 176.870 -0.014 0.000 1.099 577 L CA 0.030 54.834 54.840 -0.061 0.000 0.816 577 L CB -0.208 41.816 42.059 -0.058 0.000 0.952 577 L HN 0.153 nan 8.230 nan 0.000 0.455 578 L N 0.384 121.580 121.223 -0.045 0.000 1.961 578 L HA -0.260 4.081 4.340 0.002 0.000 0.210 578 L C 2.136 178.998 176.870 -0.015 0.000 1.072 578 L CA 2.016 56.819 54.840 -0.062 0.000 0.749 578 L CB -0.799 41.091 42.059 -0.283 0.000 0.889 578 L HN 0.284 nan 8.230 nan 0.000 0.432 579 N N -1.602 117.060 118.700 -0.063 0.000 2.192 579 N HA -0.243 4.499 4.740 0.002 0.000 0.188 579 N C 1.815 177.380 175.510 0.091 0.000 1.013 579 N CA 1.395 54.502 53.050 0.094 0.000 0.863 579 N CB -0.070 38.431 38.487 0.022 0.000 0.990 579 N HN 0.489 nan 8.380 nan 0.000 0.430 580 C N 0.213 119.519 119.300 0.010 0.000 2.435 580 C HA 0.016 4.477 4.460 0.002 0.000 0.279 580 C C 2.499 177.495 174.990 0.010 0.000 1.321 580 C CA 0.147 59.136 59.018 -0.048 0.000 1.752 580 C CB -1.035 26.630 27.740 -0.125 0.000 1.959 580 C HN 0.492 nan 8.230 nan 0.000 0.500 581 L N -0.279 121.020 121.223 0.128 0.000 2.095 581 L HA -0.119 4.222 4.340 0.002 0.000 0.204 581 L C 2.775 179.823 176.870 0.297 0.000 1.080 581 L CA 1.544 56.523 54.840 0.232 0.000 0.759 581 L CB -1.110 41.166 42.059 0.360 0.000 0.914 581 L HN 0.545 nan 8.230 nan 0.000 0.439 582 H N 0.720 119.915 119.070 0.209 0.000 2.319 582 H HA -0.149 4.408 4.556 0.002 0.000 0.299 582 H C 2.035 177.380 175.328 0.028 0.000 1.092 582 H CA 2.322 58.411 56.048 0.069 0.000 1.302 582 H CB 0.208 29.958 29.762 -0.019 0.000 1.373 582 H HN 0.167 nan 8.280 nan 0.000 0.497 583 V N 1.330 121.168 119.914 -0.127 0.000 2.407 583 V HA -0.230 3.892 4.120 0.002 0.000 0.248 583 V C 2.894 178.929 176.094 -0.100 0.000 1.055 583 V CA 1.680 63.845 62.300 -0.225 0.000 1.049 583 V CB -0.667 31.047 31.823 -0.181 0.000 0.662 583 V HN 0.366 nan 8.190 nan 0.000 0.455 584 I N 0.649 121.197 120.570 -0.037 0.000 2.286 584 I HA -0.200 3.971 4.170 0.002 0.000 0.248 584 I C 2.570 178.798 176.117 0.186 0.000 1.115 584 I CA 1.787 63.141 61.300 0.091 0.000 1.392 584 I CB -0.736 37.321 38.000 0.095 0.000 1.065 584 I HN 0.293 nan 8.210 nan 0.000 0.418 585 T N 1.192 115.821 114.554 0.125 0.000 2.821 585 T HA -0.075 4.276 4.350 0.002 0.000 0.267 585 T C 1.837 176.553 174.700 0.026 0.000 1.046 585 T CA 1.002 63.170 62.100 0.114 0.000 1.139 585 T CB -0.086 68.888 68.868 0.178 0.000 0.871 585 T HN 0.057 nan 8.240 nan 0.000 0.454 586 L N 0.229 121.406 121.223 -0.076 0.000 2.056 586 L HA 0.027 4.369 4.340 0.002 0.000 0.207 586 L C 2.087 178.957 176.870 -0.000 0.000 1.078 586 L CA 1.432 56.214 54.840 -0.097 0.000 0.749 586 L CB -1.515 40.429 42.059 -0.193 0.000 0.901 586 L HN 0.294 nan 8.230 nan 0.000 0.433 587 Y N 1.303 121.571 120.300 -0.053 0.000 2.081 587 Y HA -0.311 4.240 4.550 0.002 0.000 0.280 587 Y C 2.460 178.394 175.900 0.057 0.000 1.163 587 Y CA 1.884 59.995 58.100 0.018 0.000 1.135 587 Y CB -0.357 38.152 38.460 0.082 0.000 0.970 587 Y HN 0.302 nan 8.280 nan 0.000 0.498 588 N N 0.341 119.054 118.700 0.022 0.000 2.043 588 N HA -0.181 4.560 4.740 0.002 0.000 0.193 588 N C 1.956 177.397 175.510 -0.114 0.000 1.037 588 N CA 1.760 54.766 53.050 -0.074 0.000 0.851 588 N CB -0.624 37.891 38.487 0.047 0.000 1.027 588 N HN 0.266 nan 8.380 nan 0.000 0.422 589 R N 0.785 121.248 120.500 -0.062 0.000 2.112 589 R HA -0.006 4.335 4.340 0.002 0.000 0.242 589 R C 2.216 178.459 176.300 -0.096 0.000 1.137 589 R CA 1.179 57.239 56.100 -0.068 0.000 0.944 589 R CB -0.597 29.671 30.300 -0.053 0.000 0.857 589 R HN 0.290 nan 8.270 nan 0.000 0.435 590 I N 0.471 120.972 120.570 -0.114 0.000 2.700 590 I HA -0.248 3.923 4.170 0.002 0.000 0.261 590 I C 2.144 178.178 176.117 -0.139 0.000 1.219 590 I CA 1.043 62.274 61.300 -0.115 0.000 1.463 590 I CB -0.180 37.759 38.000 -0.101 0.000 1.092 590 I HN 0.111 nan 8.210 nan 0.000 0.452 591 K N 1.060 121.337 120.400 -0.205 0.000 2.128 591 K HA -0.077 4.244 4.320 0.002 0.000 0.202 591 K C 2.095 178.616 176.600 -0.131 0.000 1.050 591 K CA 0.636 56.800 56.287 -0.206 0.000 0.966 591 K CB -0.018 32.269 32.500 -0.354 0.000 0.759 591 K HN 0.217 nan 8.250 nan 0.000 0.454 592 K N 1.347 121.678 120.400 -0.115 0.000 2.097 592 K HA -0.119 4.202 4.320 0.002 0.000 0.206 592 K C 0.166 176.730 176.600 -0.060 0.000 1.049 592 K CA 1.386 57.625 56.287 -0.080 0.000 0.933 592 K CB 0.218 32.677 32.500 -0.068 0.000 0.717 592 K HN 0.010 nan 8.250 nan 0.000 0.442 593 E N 0.408 120.572 120.200 -0.060 0.000 3.786 593 E HA 0.125 4.476 4.350 0.002 0.000 0.215 593 E C -2.320 174.254 176.600 -0.042 0.000 1.188 593 E CA -1.594 54.780 56.400 -0.043 0.000 1.248 593 E CB 1.624 31.303 29.700 -0.034 0.000 1.260 593 E HN 0.183 nan 8.360 nan 0.000 0.426 594 P HA -0.171 nan 4.420 nan 0.000 0.222 594 P C 0.290 177.578 177.300 -0.019 0.000 1.139 594 P CA 1.167 64.246 63.100 -0.035 0.000 0.790 594 P CB 0.154 31.838 31.700 -0.026 0.000 0.757 595 N N -1.290 117.404 118.700 -0.009 0.000 2.416 595 N HA 0.053 4.795 4.740 0.002 0.000 0.267 595 N C 0.018 175.540 175.510 0.020 0.000 1.294 595 N CA -0.073 52.983 53.050 0.010 0.000 0.891 595 N CB 0.579 39.074 38.487 0.012 0.000 1.238 595 N HN 0.086 nan 8.380 nan 0.000 0.508 596 K N 0.932 121.334 120.400 0.004 0.000 2.138 596 K HA 0.229 4.550 4.320 0.002 0.000 0.263 596 K C -0.844 175.766 176.600 0.017 0.000 0.965 596 K CA -0.641 55.660 56.287 0.023 0.000 0.868 596 K CB 1.147 33.646 32.500 -0.001 0.000 1.083 596 K HN -0.063 nan 8.250 nan 0.000 0.443 597 F N 5.043 124.987 119.950 -0.010 0.000 2.487 597 F HA 0.153 4.681 4.527 0.002 0.000 0.364 597 F C -0.454 175.343 175.800 -0.006 0.000 1.126 597 F CA -0.051 57.944 58.000 -0.008 0.000 1.135 597 F CB 0.352 39.346 39.000 -0.010 0.000 1.127 597 F HN 0.088 nan 8.300 nan 0.000 0.559 598 V N 7.922 127.348 119.914 -0.813 0.000 2.540 598 V HA 0.495 4.616 4.120 0.002 0.000 0.302 598 V C -0.830 174.735 176.094 -0.881 0.000 1.035 598 V CA -0.756 61.188 62.300 -0.593 0.000 0.873 598 V CB 1.851 33.501 31.823 -0.288 0.000 0.992 598 V HN 0.491 nan 8.190 nan 0.000 0.428 599 V N 9.717 129.274 119.914 -0.595 0.000 2.599 599 V HA 0.199 4.320 4.120 0.002 0.000 0.300 599 V C -1.800 174.193 176.094 -0.168 0.000 1.034 599 V CA -0.670 61.454 62.300 -0.294 0.000 1.115 599 V CB 0.602 32.462 31.823 0.062 0.000 0.934 599 V HN 0.855 nan 8.190 nan 0.000 0.485 600 P HA 0.407 nan 4.420 nan 0.000 0.279 600 P C -0.651 176.645 177.300 -0.007 0.000 1.239 600 P CA -0.332 62.745 63.100 -0.039 0.000 0.789 600 P CB 0.899 32.603 31.700 0.006 0.000 0.933 601 R N 0.813 121.294 120.500 -0.031 0.000 2.807 601 R HA 0.661 5.003 4.340 0.002 0.000 0.276 601 R C -0.583 175.704 176.300 -0.023 0.000 0.979 601 R CA -0.663 55.414 56.100 -0.038 0.000 0.928 601 R CB 1.932 32.185 30.300 -0.079 0.000 1.191 601 R HN 0.321 nan 8.270 nan 0.000 0.471 602 T N 1.679 116.220 114.554 -0.022 0.000 2.815 602 T HA 0.302 4.653 4.350 0.002 0.000 0.289 602 T C -0.255 174.351 174.700 -0.157 0.000 1.000 602 T CA -0.688 61.337 62.100 -0.125 0.000 0.958 602 T CB 1.316 70.010 68.868 -0.289 0.000 0.944 602 T HN 0.274 nan 8.240 nan 0.000 0.442 603 V N 3.364 123.195 119.914 -0.139 0.000 2.567 603 V HA 0.650 4.771 4.120 0.002 0.000 0.289 603 V C -0.047 175.959 176.094 -0.147 0.000 1.049 603 V CA -0.789 61.437 62.300 -0.122 0.000 0.969 603 V CB 1.063 32.825 31.823 -0.102 0.000 0.995 603 V HN 0.862 nan 8.190 nan 0.000 0.471 604 M N 5.269 124.783 119.600 -0.144 0.000 2.224 604 M HA 0.597 5.078 4.480 0.002 0.000 0.281 604 M C -1.353 174.841 176.300 -0.177 0.000 1.025 604 M CA -0.126 55.081 55.300 -0.155 0.000 0.954 604 M CB 2.344 34.865 32.600 -0.131 0.000 1.639 604 M HN 0.501 nan 8.290 nan 0.000 0.461 605 I N 1.507 121.940 120.570 -0.228 0.000 2.530 605 I HA 0.935 5.106 4.170 0.002 0.000 0.297 605 I C 0.243 175.980 176.117 -0.633 0.000 1.011 605 I CA -0.769 60.360 61.300 -0.286 0.000 1.107 605 I CB 2.362 40.286 38.000 -0.126 0.000 1.285 605 I HN 0.810 nan 8.210 nan 0.000 0.436 606 G N 2.334 110.751 108.800 -0.639 0.000 2.692 606 G HA2 0.796 4.758 3.960 0.002 0.000 0.291 606 G HA3 0.796 4.758 3.960 0.002 0.000 0.291 606 G C -0.985 173.675 174.900 -0.401 0.000 1.423 606 G CA -0.568 44.052 45.100 -0.799 0.000 0.843 606 G HN 1.045 nan 8.290 nan 0.000 0.486 607 G N -0.637 108.106 108.800 -0.095 0.000 2.321 607 G HA2 0.386 4.347 3.960 0.002 0.000 0.339 607 G HA3 0.386 4.347 3.960 0.002 0.000 0.339 607 G C -1.233 173.814 174.900 0.246 0.000 1.518 607 G CA -0.967 44.193 45.100 0.100 0.000 0.994 607 G HN 0.613 nan 8.290 nan 0.000 0.668 608 K N 0.169 120.711 120.400 0.236 0.000 2.098 608 K HA 0.727 5.048 4.320 0.002 0.000 0.258 608 K C 1.290 178.064 176.600 0.290 0.000 0.973 608 K CA -0.115 56.350 56.287 0.297 0.000 0.898 608 K CB 1.972 34.601 32.500 0.216 0.000 1.057 608 K HN 0.686 nan 8.250 nan 0.000 0.447 609 A N 2.012 125.023 122.820 0.318 0.000 1.826 609 A HA 0.358 4.679 4.320 0.002 0.000 0.214 609 A C 0.104 177.866 177.584 0.296 0.000 1.212 609 A CA 1.283 53.442 52.037 0.203 0.000 0.605 609 A CB -0.558 18.501 19.000 0.098 0.000 0.861 609 A HN 0.994 nan 8.150 nan 0.000 0.447 610 A N -2.088 120.960 122.820 0.379 0.000 2.434 610 A HA 0.250 4.571 4.320 0.002 0.000 0.686 610 A C -2.896 174.805 177.584 0.196 0.000 0.139 610 A CA -0.274 51.976 52.037 0.356 0.000 0.028 610 A CB -2.245 16.945 19.000 0.316 0.000 3.972 610 A HN 0.268 nan 8.150 nan 0.000 0.548 611 P HA 0.437 nan 4.420 nan 0.000 0.269 611 P C 1.429 178.759 177.300 0.051 0.000 1.215 611 P CA 1.813 64.889 63.100 -0.039 0.000 0.780 611 P CB 0.778 32.391 31.700 -0.144 0.000 0.898 612 G N 0.751 109.578 108.800 0.045 0.000 2.245 612 G HA2 -0.302 3.659 3.960 0.002 0.000 0.264 612 G HA3 -0.302 3.659 3.960 0.002 0.000 0.264 612 G C -0.005 175.000 174.900 0.176 0.000 0.985 612 G CA -0.101 45.047 45.100 0.080 0.000 0.625 612 G HN 0.572 nan 8.290 nan 0.000 0.536 613 Y N 2.833 123.152 120.300 0.032 0.000 2.584 613 Y HA 0.392 4.943 4.550 0.002 0.000 0.351 613 Y C 1.481 177.422 175.900 0.068 0.000 1.030 613 Y CA -0.599 57.523 58.100 0.036 0.000 1.332 613 Y CB -0.277 38.184 38.460 0.001 0.000 1.148 613 Y HN 0.402 nan 8.280 nan 0.000 0.528 614 H N 4.938 124.113 119.070 0.176 0.000 2.389 614 H HA -0.143 4.414 4.556 0.002 0.000 0.299 614 H C 1.495 176.826 175.328 0.005 0.000 1.081 614 H CA 1.791 57.883 56.048 0.074 0.000 1.345 614 H CB 0.439 30.254 29.762 0.087 0.000 1.393 614 H HN 0.661 nan 8.280 nan 0.000 0.520 615 M N 1.193 120.745 119.600 -0.081 0.000 2.086 615 M HA -0.051 4.431 4.480 0.002 0.000 0.261 615 M C 2.627 178.674 176.300 -0.421 0.000 1.067 615 M CA 1.826 56.984 55.300 -0.237 0.000 1.116 615 M CB -0.899 31.657 32.600 -0.074 0.000 1.348 615 M HN 0.333 nan 8.290 nan 0.000 0.407 616 A N -0.537 121.824 122.820 -0.765 0.000 1.883 616 A HA -0.222 4.100 4.320 0.002 0.000 0.217 616 A C 2.223 179.613 177.584 -0.324 0.000 1.186 616 A CA 2.071 53.719 52.037 -0.648 0.000 0.624 616 A CB -0.713 17.764 19.000 -0.873 0.000 0.822 616 A HN 0.559 nan 8.150 nan 0.000 0.444 617 K N -1.177 119.084 120.400 -0.231 0.000 2.280 617 K HA -0.041 4.281 4.320 0.002 0.000 0.202 617 K C 1.865 178.429 176.600 -0.059 0.000 1.047 617 K CA 1.223 57.461 56.287 -0.081 0.000 0.942 617 K CB -0.133 32.380 32.500 0.021 0.000 0.739 617 K HN 0.379 nan 8.250 nan 0.000 0.457 618 M N -0.072 119.430 119.600 -0.163 0.000 2.334 618 M HA 0.006 4.487 4.480 0.002 0.000 0.266 618 M C 1.985 178.175 176.300 -0.183 0.000 1.082 618 M CA 1.268 56.502 55.300 -0.109 0.000 1.141 618 M CB -0.376 32.127 32.600 -0.161 0.000 1.380 618 M HN 0.107 nan 8.290 nan 0.000 0.440 619 I N 0.064 120.498 120.570 -0.227 0.000 2.394 619 I HA -0.261 3.911 4.170 0.002 0.000 0.251 619 I C 2.245 178.202 176.117 -0.266 0.000 1.136 619 I CA 0.938 62.096 61.300 -0.237 0.000 1.425 619 I CB -0.271 37.610 38.000 -0.197 0.000 1.079 619 I HN 0.171 nan 8.210 nan 0.000 0.425 620 I N 0.794 121.185 120.570 -0.299 0.000 2.394 620 I HA -0.261 3.910 4.170 0.002 0.000 0.251 620 I C 2.524 178.298 176.117 -0.572 0.000 1.136 620 I CA 1.177 62.170 61.300 -0.511 0.000 1.425 620 I CB -0.284 37.423 38.000 -0.489 0.000 1.079 620 I HN 0.186 nan 8.210 nan 0.000 0.425 621 K N 1.590 121.703 120.400 -0.477 0.000 2.116 621 K HA -0.043 4.278 4.320 0.002 0.000 0.203 621 K C 2.028 178.417 176.600 -0.352 0.000 1.052 621 K CA 1.029 56.976 56.287 -0.567 0.000 0.952 621 K CB -0.312 31.639 32.500 -0.914 0.000 0.729 621 K HN 0.157 nan 8.250 nan 0.000 0.446 622 L N 0.558 121.558 121.223 -0.372 0.000 2.012 622 L HA -0.198 4.143 4.340 0.002 0.000 0.210 622 L C 2.190 178.814 176.870 -0.411 0.000 1.073 622 L CA 1.727 56.218 54.840 -0.581 0.000 0.748 622 L CB -0.291 41.393 42.059 -0.623 0.000 0.891 622 L HN 0.265 nan 8.230 nan 0.000 0.431 623 I N -0.522 119.858 120.570 -0.316 0.000 2.179 623 I HA -0.303 3.868 4.170 0.002 0.000 0.242 623 I C 2.296 178.292 176.117 -0.203 0.000 1.088 623 I CA 1.921 63.096 61.300 -0.209 0.000 1.357 623 I CB -0.474 37.499 38.000 -0.045 0.000 1.051 623 I HN 0.353 nan 8.210 nan 0.000 0.409 624 T N -0.278 114.129 114.554 -0.246 0.000 3.035 624 T HA 0.101 4.452 4.350 0.002 0.000 0.268 624 T C 1.851 176.439 174.700 -0.187 0.000 1.109 624 T CA 0.774 62.752 62.100 -0.204 0.000 1.119 624 T CB -0.152 68.567 68.868 -0.249 0.000 0.900 624 T HN 0.392 nan 8.240 nan 0.000 0.503 625 A N 1.685 124.395 122.820 -0.183 0.000 1.874 625 A HA 0.205 4.526 4.320 0.002 0.000 0.214 625 A C 2.250 179.738 177.584 -0.160 0.000 1.189 625 A CA 0.614 52.602 52.037 -0.083 0.000 0.615 625 A CB -0.648 18.430 19.000 0.131 0.000 0.830 625 A HN 0.477 nan 8.150 nan 0.000 0.443 626 I N 0.015 120.379 120.570 -0.344 0.000 2.163 626 I HA -0.232 3.940 4.170 0.002 0.000 0.243 626 I C 2.746 178.643 176.117 -0.366 0.000 1.085 626 I CA 1.156 62.127 61.300 -0.549 0.000 1.347 626 I CB -0.805 36.825 38.000 -0.618 0.000 1.044 626 I HN 0.399 nan 8.210 nan 0.000 0.408 627 G N 0.820 109.461 108.800 -0.265 0.000 2.553 627 G HA2 -0.325 3.637 3.960 0.002 0.000 0.218 627 G HA3 -0.325 3.637 3.960 0.002 0.000 0.218 627 G C 1.292 176.051 174.900 -0.235 0.000 1.195 627 G CA 1.396 46.366 45.100 -0.216 0.000 0.779 627 G HN 0.293 nan 8.290 nan 0.000 0.577 628 D N -0.148 120.147 120.400 -0.175 0.000 2.133 628 D HA -0.096 4.545 4.640 0.002 0.000 0.195 628 D C 2.710 178.965 176.300 -0.075 0.000 0.997 628 D CA 0.815 54.750 54.000 -0.108 0.000 0.840 628 D CB -0.472 40.337 40.800 0.014 0.000 0.947 628 D HN 0.193 nan 8.370 nan 0.000 0.452 629 V N 0.891 120.735 119.914 -0.117 0.000 2.221 629 V HA -0.213 3.908 4.120 0.002 0.000 0.242 629 V C 2.741 178.724 176.094 -0.185 0.000 1.041 629 V CA 1.916 64.135 62.300 -0.136 0.000 0.995 629 V CB -0.557 31.170 31.823 -0.160 0.000 0.635 629 V HN 0.185 nan 8.190 nan 0.000 0.448 630 V N -0.301 119.411 119.914 -0.336 0.000 2.515 630 V HA -0.144 3.977 4.120 0.002 0.000 0.250 630 V C 1.769 177.803 176.094 -0.100 0.000 1.058 630 V CA 2.293 64.464 62.300 -0.216 0.000 1.064 630 V CB -1.060 30.611 31.823 -0.252 0.000 0.675 630 V HN 0.611 nan 8.190 nan 0.000 0.461 631 N N 0.057 118.616 118.700 -0.235 0.000 2.461 631 N HA 0.042 4.783 4.740 0.002 0.000 0.188 631 N C 0.897 176.212 175.510 -0.326 0.000 1.134 631 N CA 1.015 53.897 53.050 -0.279 0.000 0.878 631 N CB -0.434 37.822 38.487 -0.386 0.000 0.972 631 N HN 0.822 nan 8.380 nan 0.000 0.456 632 H N -1.916 117.165 119.070 0.019 0.000 3.230 632 H HA 0.168 4.725 4.556 0.002 0.000 0.259 632 H C -0.715 174.647 175.328 0.057 0.000 1.195 632 H CA -0.568 55.497 56.048 0.028 0.000 1.112 632 H CB 0.825 30.592 29.762 0.008 0.000 1.638 632 H HN -0.001 nan 8.280 nan 0.000 0.624 633 D N 1.506 122.011 120.400 0.175 0.000 2.313 633 D HA 0.089 4.730 4.640 0.002 0.000 0.239 633 D C -1.707 174.682 176.300 0.148 0.000 1.142 633 D CA -2.291 51.830 54.000 0.201 0.000 0.847 633 D CB 1.728 42.728 40.800 0.333 0.000 1.082 633 D HN 0.015 nan 8.370 nan 0.000 0.480 634 P HA -0.069 nan 4.420 nan 0.000 0.220 634 P C 1.472 178.809 177.300 0.062 0.000 1.152 634 P CA 0.150 63.298 63.100 0.079 0.000 0.812 634 P CB 0.303 32.042 31.700 0.064 0.000 0.792 635 V N -0.168 119.782 119.914 0.060 0.000 2.392 635 V HA -0.205 3.916 4.120 0.002 0.000 0.249 635 V C 2.433 178.544 176.094 0.029 0.000 1.059 635 V CA 1.698 64.017 62.300 0.032 0.000 1.051 635 V CB -1.168 30.663 31.823 0.013 0.000 0.658 635 V HN -0.013 nan 8.190 nan 0.000 0.455 636 V N -0.385 119.564 119.914 0.058 0.000 2.427 636 V HA 0.020 4.141 4.120 0.002 0.000 0.248 636 V C 1.885 178.009 176.094 0.049 0.000 1.051 636 V CA 1.664 64.000 62.300 0.061 0.000 1.048 636 V CB -1.011 30.893 31.823 0.135 0.000 0.666 636 V HN 0.778 nan 8.190 nan 0.000 0.456 637 G N 1.353 110.188 108.800 0.057 0.000 2.596 637 G HA2 -0.389 3.572 3.960 0.002 0.000 0.304 637 G HA3 -0.389 3.572 3.960 0.002 0.000 0.304 637 G C 0.193 175.136 174.900 0.073 0.000 1.189 637 G CA 0.618 45.752 45.100 0.057 0.000 0.986 637 G HN 0.707 nan 8.290 nan 0.000 0.548 638 D N -0.191 120.255 120.400 0.076 0.000 2.538 638 D HA 0.372 5.014 4.640 0.002 0.000 0.231 638 D C 1.616 177.941 176.300 0.042 0.000 1.229 638 D CA -0.097 53.953 54.000 0.084 0.000 0.828 638 D CB 0.122 41.010 40.800 0.147 0.000 1.035 638 D HN 0.543 nan 8.370 nan 0.000 0.495 639 R N 0.002 120.513 120.500 0.018 0.000 2.235 639 R HA 0.224 4.565 4.340 0.002 0.000 0.213 639 R C 0.281 176.563 176.300 -0.030 0.000 1.059 639 R CA 0.516 56.601 56.100 -0.024 0.000 0.997 639 R CB 0.411 30.679 30.300 -0.053 0.000 0.884 639 R HN 0.197 nan 8.270 nan 0.000 0.462 640 L N 0.431 121.650 121.223 -0.007 0.000 2.543 640 L HA 0.467 4.808 4.340 0.002 0.000 0.265 640 L C -1.644 175.210 176.870 -0.026 0.000 0.945 640 L CA -0.493 54.334 54.840 -0.022 0.000 0.869 640 L CB 1.891 43.950 42.059 0.001 0.000 1.294 640 L HN 0.069 nan 8.230 nan 0.000 0.405 641 R N 3.705 124.168 120.500 -0.062 0.000 2.548 641 R HA 0.582 4.924 4.340 0.002 0.000 0.280 641 R C -1.511 174.718 176.300 -0.119 0.000 1.061 641 R CA -0.712 55.335 56.100 -0.088 0.000 0.915 641 R CB 2.845 33.095 30.300 -0.083 0.000 1.210 641 R HN 0.380 nan 8.270 nan 0.000 0.442 642 V N 5.517 125.349 119.914 -0.137 0.000 2.313 642 V HA 0.454 4.576 4.120 0.002 0.000 0.278 642 V C -0.098 175.925 176.094 -0.118 0.000 1.017 642 V CA -0.451 61.765 62.300 -0.140 0.000 0.823 642 V CB 1.238 32.957 31.823 -0.173 0.000 1.010 642 V HN 0.572 nan 8.190 nan 0.000 0.443 643 I N 4.995 125.502 120.570 -0.105 0.000 2.406 643 I HA 0.414 4.586 4.170 0.002 0.000 0.290 643 I C -0.724 175.364 176.117 -0.047 0.000 0.999 643 I CA -0.541 60.715 61.300 -0.073 0.000 1.124 643 I CB 1.874 39.812 38.000 -0.104 0.000 1.289 643 I HN 0.458 nan 8.210 nan 0.000 0.441 644 F N 7.311 127.204 119.950 -0.094 0.000 2.390 644 F HA 0.443 4.971 4.527 0.002 0.000 0.361 644 F C -0.245 175.535 175.800 -0.033 0.000 1.124 644 F CA -0.397 57.556 58.000 -0.079 0.000 1.149 644 F CB 0.523 39.465 39.000 -0.098 0.000 1.160 644 F HN 0.254 nan 8.300 nan 0.000 0.501 645 L N 5.755 126.656 121.223 -0.536 0.000 2.367 645 L HA 0.254 4.596 4.340 0.002 0.000 0.275 645 L C 0.167 176.890 176.870 -0.245 0.000 1.129 645 L CA -0.107 54.603 54.840 -0.216 0.000 0.839 645 L CB 0.803 42.822 42.059 -0.066 0.000 1.133 645 L HN 0.575 nan 8.230 nan 0.000 0.453 646 E N 4.609 124.823 120.200 0.022 0.000 2.158 646 E HA 0.109 4.461 4.350 0.002 0.000 0.271 646 E C -0.649 176.048 176.600 0.163 0.000 0.911 646 E CA -0.664 55.794 56.400 0.097 0.000 0.767 646 E CB 1.013 30.687 29.700 -0.043 0.000 1.120 646 E HN 0.598 nan 8.360 nan 0.000 0.405 647 N N 3.533 122.357 118.700 0.206 0.000 2.765 647 N HA -0.245 4.496 4.740 0.002 0.000 0.254 647 N C -1.838 173.794 175.510 0.204 0.000 1.094 647 N CA 0.352 53.520 53.050 0.197 0.000 0.680 647 N CB -1.722 36.874 38.487 0.182 0.000 0.902 647 N HN 0.552 nan 8.380 nan 0.000 0.557 648 Y N 2.473 122.820 120.300 0.079 0.000 2.465 648 Y HA 0.385 4.937 4.550 0.002 0.000 0.331 648 Y C 1.057 176.996 175.900 0.064 0.000 1.102 648 Y CA 0.463 58.595 58.100 0.054 0.000 1.358 648 Y CB 0.400 38.867 38.460 0.012 0.000 1.213 648 Y HN 0.467 nan 8.280 nan 0.000 0.525 649 R N 2.638 122.882 120.500 -0.425 0.000 2.762 649 R HA 0.391 4.733 4.340 0.002 0.000 0.271 649 R C -0.747 175.237 176.300 -0.526 0.000 1.038 649 R CA -0.613 55.278 56.100 -0.348 0.000 0.906 649 R CB 0.406 30.646 30.300 -0.100 0.000 1.259 649 R HN 0.390 nan 8.270 nan 0.000 0.457 650 V N 1.191 120.791 119.914 -0.524 0.000 2.453 650 V HA -0.256 3.865 4.120 0.002 0.000 0.252 650 V C 2.283 178.200 176.094 -0.295 0.000 1.068 650 V CA 2.787 64.824 62.300 -0.439 0.000 1.070 650 V CB -0.564 30.937 31.823 -0.537 0.000 0.664 650 V HN 0.864 nan 8.190 nan 0.000 0.461 651 S N -1.646 113.913 115.700 -0.235 0.000 2.527 651 S HA 0.076 4.547 4.470 0.002 0.000 0.222 651 S C 1.808 176.330 174.600 -0.129 0.000 0.985 651 S CA 0.570 58.666 58.200 -0.173 0.000 0.921 651 S CB -0.050 63.082 63.200 -0.114 0.000 0.772 651 S HN 0.515 nan 8.310 nan 0.000 0.529 652 L N 0.615 121.758 121.223 -0.132 0.000 2.168 652 L HA 0.200 4.542 4.340 0.002 0.000 0.203 652 L C 2.984 179.829 176.870 -0.040 0.000 1.078 652 L CA 1.000 55.808 54.840 -0.053 0.000 0.780 652 L CB -0.735 41.369 42.059 0.075 0.000 0.939 652 L HN 0.462 nan 8.230 nan 0.000 0.451 653 A N 0.771 123.520 122.820 -0.118 0.000 1.908 653 A HA -0.250 4.072 4.320 0.002 0.000 0.218 653 A C 1.977 179.634 177.584 0.122 0.000 1.181 653 A CA 1.958 54.020 52.037 0.042 0.000 0.627 653 A CB -0.577 18.417 19.000 -0.010 0.000 0.818 653 A HN 0.661 nan 8.150 nan 0.000 0.445 654 E N -0.115 120.157 120.200 0.121 0.000 2.409 654 E HA -0.155 4.196 4.350 0.002 0.000 0.198 654 E C 1.580 178.134 176.600 -0.077 0.000 1.024 654 E CA 1.183 57.624 56.400 0.070 0.000 0.861 654 E CB -0.160 29.435 29.700 -0.175 0.000 0.788 654 E HN 0.661 nan 8.360 nan 0.000 0.521 655 K N 0.777 121.082 120.400 -0.158 0.000 2.063 655 K HA 0.021 4.343 4.320 0.002 0.000 0.204 655 K C 2.258 178.499 176.600 -0.598 0.000 1.039 655 K CA 0.747 56.868 56.287 -0.277 0.000 0.957 655 K CB -0.219 32.130 32.500 -0.252 0.000 0.764 655 K HN -0.051 nan 8.250 nan 0.000 0.447 656 V N 2.294 121.794 119.914 -0.690 0.000 2.252 656 V HA -0.291 3.831 4.120 0.002 0.000 0.249 656 V C 2.036 177.868 176.094 -0.436 0.000 1.056 656 V CA 1.787 63.582 62.300 -0.842 0.000 1.022 656 V CB -0.253 31.418 31.823 -0.254 0.000 0.641 656 V HN 0.270 nan 8.190 nan 0.000 0.445 657 I N -0.067 120.315 120.570 -0.312 0.000 2.076 657 I HA -0.182 3.990 4.170 0.002 0.000 0.237 657 I C 0.102 176.101 176.117 -0.195 0.000 1.059 657 I CA 2.138 63.208 61.300 -0.382 0.000 1.317 657 I CB -1.758 35.899 38.000 -0.572 0.000 1.037 657 I HN 0.337 nan 8.210 nan 0.000 0.398 658 P HA -0.304 nan 4.420 nan 0.000 0.222 658 P C 1.192 178.466 177.300 -0.043 0.000 1.155 658 P CA 2.367 65.422 63.100 -0.075 0.000 0.890 658 P CB -0.091 31.565 31.700 -0.074 0.000 0.790 659 A N -1.502 121.259 122.820 -0.098 0.000 2.169 659 A HA 0.331 4.653 4.320 0.002 0.000 0.212 659 A C 1.254 178.961 177.584 0.206 0.000 1.153 659 A CA 0.523 52.582 52.037 0.037 0.000 0.756 659 A CB -0.971 18.042 19.000 0.022 0.000 0.813 659 A HN 0.257 nan 8.150 nan 0.000 0.471 660 A N 0.262 123.178 122.820 0.160 0.000 2.462 660 A HA 0.382 4.703 4.320 0.002 0.000 0.243 660 A C 0.436 178.164 177.584 0.240 0.000 1.076 660 A CA 0.186 52.373 52.037 0.249 0.000 0.773 660 A CB 0.227 19.470 19.000 0.405 0.000 1.010 660 A HN 0.405 nan 8.150 nan 0.000 0.493 661 D N 0.959 121.490 120.400 0.219 0.000 2.431 661 D HA 0.124 4.765 4.640 0.002 0.000 0.227 661 D C -0.016 176.430 176.300 0.242 0.000 1.030 661 D CA 0.520 54.705 54.000 0.308 0.000 0.897 661 D CB 0.335 41.239 40.800 0.174 0.000 1.058 661 D HN 0.368 nan 8.370 nan 0.000 0.500 662 L N 1.472 122.726 121.223 0.051 0.000 2.343 662 L HA 0.244 4.586 4.340 0.002 0.000 0.278 662 L C -0.492 176.217 176.870 -0.267 0.000 0.996 662 L CA -0.293 54.491 54.840 -0.093 0.000 0.831 662 L CB 2.211 44.192 42.059 -0.130 0.000 1.232 662 L HN -0.170 nan 8.230 nan 0.000 0.413 663 S N 3.951 119.382 115.700 -0.448 0.000 2.430 663 S HA 0.214 4.686 4.470 0.002 0.000 0.289 663 S C -0.086 174.231 174.600 -0.472 0.000 1.143 663 S CA -0.583 57.106 58.200 -0.852 0.000 1.067 663 S CB 0.354 62.884 63.200 -1.116 0.000 0.964 663 S HN 0.502 nan 8.310 nan 0.000 0.485 664 E N 4.233 124.212 120.200 -0.368 0.000 1.936 664 E HA 0.125 4.476 4.350 0.002 0.000 0.267 664 E C -0.717 175.784 176.600 -0.166 0.000 1.076 664 E CA -0.278 56.012 56.400 -0.182 0.000 0.870 664 E CB 0.845 30.473 29.700 -0.121 0.000 1.093 664 E HN 0.528 nan 8.360 nan 0.000 0.411 665 Q N 2.194 121.919 119.800 -0.125 0.000 2.901 665 Q HA 0.189 4.530 4.340 0.002 0.000 0.265 665 Q C 0.674 176.610 176.000 -0.105 0.000 1.263 665 Q CA -0.028 55.705 55.803 -0.118 0.000 1.088 665 Q CB -0.078 28.602 28.738 -0.097 0.000 1.339 665 Q HN 0.570 nan 8.270 nan 0.000 0.546 666 I N -2.359 118.143 120.570 -0.114 0.000 3.874 666 I HA 0.361 4.532 4.170 0.002 0.000 0.331 666 I C 0.001 176.005 176.117 -0.189 0.000 1.489 666 I CA -0.378 60.845 61.300 -0.128 0.000 1.187 666 I CB 0.401 38.377 38.000 -0.041 0.000 1.150 666 I HN 0.010 nan 8.210 nan 0.000 0.412 667 S N 1.353 116.932 115.700 -0.202 0.000 2.606 667 S HA 0.151 4.623 4.470 0.002 0.000 0.257 667 S C 0.668 175.188 174.600 -0.134 0.000 1.327 667 S CA -0.161 57.920 58.200 -0.199 0.000 0.984 667 S CB 0.545 63.626 63.200 -0.200 0.000 0.941 667 S HN 0.453 nan 8.310 nan 0.000 0.576 668 T N 2.372 116.895 114.554 -0.053 0.000 2.901 668 T HA 0.351 4.702 4.350 0.002 0.000 0.301 668 T C 0.353 175.040 174.700 -0.020 0.000 1.012 668 T CA -0.324 61.774 62.100 -0.003 0.000 1.135 668 T CB 0.457 69.400 68.868 0.124 0.000 0.936 668 T HN 0.708 nan 8.240 nan 0.000 0.539 669 A N 2.368 125.157 122.820 -0.052 0.000 2.526 669 A HA 0.476 4.798 4.320 0.002 0.000 0.267 669 A C 1.545 179.115 177.584 -0.024 0.000 1.095 669 A CA 0.344 52.345 52.037 -0.061 0.000 0.775 669 A CB -1.084 17.877 19.000 -0.065 0.000 1.036 669 A HN 1.413 nan 8.150 nan 0.000 0.510 670 G N 1.522 110.308 108.800 -0.024 0.000 2.336 670 G HA2 -0.212 3.749 3.960 0.002 0.000 0.194 670 G HA3 -0.212 3.749 3.960 0.002 0.000 0.194 670 G C 1.063 175.960 174.900 -0.005 0.000 0.999 670 G CA 0.781 45.873 45.100 -0.013 0.000 0.669 670 G HN 1.654 nan 8.290 nan 0.000 0.482 671 T N -1.241 113.321 114.554 0.014 0.000 2.866 671 T HA 0.277 4.629 4.350 0.002 0.000 0.250 671 T C 0.799 175.511 174.700 0.021 0.000 1.033 671 T CA 1.022 63.133 62.100 0.020 0.000 1.145 671 T CB 0.061 68.993 68.868 0.106 0.000 0.866 671 T HN 0.249 nan 8.240 nan 0.000 0.434 672 E N 1.412 121.635 120.200 0.038 0.000 2.376 672 E HA 0.369 4.720 4.350 0.002 0.000 0.266 672 E C 0.832 177.405 176.600 -0.046 0.000 1.009 672 E CA 0.196 56.604 56.400 0.013 0.000 0.902 672 E CB 1.327 31.014 29.700 -0.022 0.000 0.972 672 E HN 0.551 nan 8.360 nan 0.000 0.439 673 A N 2.665 125.429 122.820 -0.093 0.000 2.169 673 A HA 0.019 4.340 4.320 0.002 0.000 0.212 673 A C 1.233 178.750 177.584 -0.111 0.000 1.153 673 A CA 1.139 53.060 52.037 -0.193 0.000 0.756 673 A CB 0.269 18.995 19.000 -0.457 0.000 0.813 673 A HN 0.555 nan 8.150 nan 0.000 0.471 674 S N -3.480 112.188 115.700 -0.055 0.000 4.973 674 S HA 0.422 4.894 4.470 0.002 0.000 0.225 674 S C -0.297 174.290 174.600 -0.021 0.000 1.171 674 S CA 0.824 59.015 58.200 -0.014 0.000 1.374 674 S CB -0.345 62.869 63.200 0.024 0.000 1.686 674 S HN 1.996 nan 8.310 nan 0.000 0.373 675 G N 0.996 109.792 108.800 -0.006 0.000 2.344 675 G HA2 0.153 4.114 3.960 0.002 0.000 0.252 675 G HA3 0.153 4.114 3.960 0.002 0.000 0.252 675 G C 0.190 175.073 174.900 -0.029 0.000 1.415 675 G CA 0.532 45.620 45.100 -0.020 0.000 1.224 675 G HN 0.777 nan 8.290 nan 0.000 0.616 676 T N 0.663 115.208 114.554 -0.015 0.000 2.848 676 T HA -0.098 4.254 4.350 0.002 0.000 0.269 676 T C 2.388 177.012 174.700 -0.126 0.000 1.081 676 T CA 2.906 64.980 62.100 -0.044 0.000 1.125 676 T CB -0.055 68.802 68.868 -0.020 0.000 0.848 676 T HN 1.041 nan 8.240 nan 0.000 0.503 677 G N 0.246 108.982 108.800 -0.107 0.000 2.603 677 G HA2 -0.068 3.894 3.960 0.002 0.000 0.214 677 G HA3 -0.068 3.894 3.960 0.002 0.000 0.214 677 G C 1.480 176.390 174.900 0.016 0.000 1.140 677 G CA 0.167 45.186 45.100 -0.134 0.000 0.800 677 G HN 0.393 nan 8.290 nan 0.000 0.533 678 N N 0.820 119.522 118.700 0.003 0.000 2.069 678 N HA -0.191 4.550 4.740 0.002 0.000 0.196 678 N C 2.164 177.669 175.510 -0.008 0.000 1.024 678 N CA 1.773 54.823 53.050 0.000 0.000 0.869 678 N CB -0.267 38.168 38.487 -0.086 0.000 1.035 678 N HN 0.321 nan 8.380 nan 0.000 0.434 679 M N 0.134 119.662 119.600 -0.120 0.000 2.200 679 M HA -0.048 4.434 4.480 0.002 0.000 0.265 679 M C 1.615 177.840 176.300 -0.125 0.000 1.066 679 M CA 1.149 56.346 55.300 -0.172 0.000 1.127 679 M CB -0.056 32.436 32.600 -0.179 0.000 1.379 679 M HN 0.083 nan 8.290 nan 0.000 0.420 680 K N -0.146 120.113 120.400 -0.235 0.000 2.148 680 K HA -0.076 4.246 4.320 0.002 0.000 0.204 680 K C 1.704 178.112 176.600 -0.320 0.000 1.050 680 K CA 1.207 57.237 56.287 -0.428 0.000 0.942 680 K CB -0.194 31.777 32.500 -0.881 0.000 0.724 680 K HN 0.208 nan 8.250 nan 0.000 0.446 681 F N 1.328 121.169 119.950 -0.181 0.000 2.084 681 F HA -0.104 4.425 4.527 0.003 0.000 0.296 681 F C 2.694 178.440 175.800 -0.091 0.000 1.111 681 F CA 1.144 59.069 58.000 -0.124 0.000 1.224 681 F CB -0.452 38.476 39.000 -0.120 0.000 0.991 681 F HN -0.099 nan 8.300 nan 0.000 0.471 682 M N -0.046 119.628 119.600 0.123 0.000 2.110 682 M HA -0.308 4.174 4.480 0.002 0.000 0.257 682 M C 2.258 178.582 176.300 0.039 0.000 1.071 682 M CA 1.838 57.172 55.300 0.056 0.000 1.096 682 M CB -0.613 32.017 32.600 0.051 0.000 1.300 682 M HN 0.220 nan 8.290 nan 0.000 0.411 683 L N -0.006 121.237 121.223 0.033 0.000 2.349 683 L HA -0.222 4.119 4.340 0.002 0.000 0.220 683 L C 1.044 177.924 176.870 0.016 0.000 1.130 683 L CA 0.938 55.798 54.840 0.035 0.000 0.791 683 L CB -0.379 41.708 42.059 0.047 0.000 0.918 683 L HN 0.433 nan 8.230 nan 0.000 0.444 684 N N -0.017 118.688 118.700 0.008 0.000 2.214 684 N HA 0.106 4.847 4.740 0.002 0.000 0.214 684 N C 0.406 175.933 175.510 0.028 0.000 1.132 684 N CA 0.803 53.856 53.050 0.005 0.000 0.856 684 N CB 0.779 39.245 38.487 -0.035 0.000 1.020 684 N HN 0.259 nan 8.380 nan 0.000 0.509 685 G N 1.212 110.023 108.800 0.019 0.000 2.587 685 G HA2 0.033 3.994 3.960 0.002 0.000 0.245 685 G HA3 0.033 3.994 3.960 0.002 0.000 0.245 685 G C -0.453 174.470 174.900 0.039 0.000 0.959 685 G CA 0.172 45.268 45.100 -0.006 0.000 1.268 685 G HN 0.509 nan 8.290 nan 0.000 0.448 686 A N 2.522 125.331 122.820 -0.018 0.000 2.566 686 A HA 0.783 5.105 4.320 0.002 0.000 0.297 686 A C -0.256 177.229 177.584 -0.166 0.000 1.059 686 A CA -0.748 51.293 52.037 0.006 0.000 0.691 686 A CB 1.202 20.296 19.000 0.157 0.000 1.282 686 A HN 1.137 nan 8.150 nan 0.000 0.401 687 L N 1.541 122.623 121.223 -0.234 0.000 2.326 687 L HA 0.433 4.775 4.340 0.002 0.000 0.278 687 L C 0.154 176.871 176.870 -0.254 0.000 1.092 687 L CA -0.379 54.289 54.840 -0.288 0.000 0.810 687 L CB 1.562 43.473 42.059 -0.248 0.000 1.153 687 L HN 0.759 nan 8.230 nan 0.000 0.439 688 T N 4.318 118.616 114.554 -0.427 0.000 2.728 688 T HA 0.353 4.704 4.350 0.002 0.000 0.296 688 T C 0.013 174.608 174.700 -0.175 0.000 0.940 688 T CA -0.168 61.710 62.100 -0.371 0.000 1.013 688 T CB 0.933 69.533 68.868 -0.447 0.000 0.912 688 T HN 0.354 nan 8.240 nan 0.000 0.484 689 I N 2.840 123.366 120.570 -0.073 0.000 2.440 689 I HA 0.708 4.879 4.170 0.002 0.000 0.294 689 I C 0.309 176.531 176.117 0.175 0.000 0.995 689 I CA 0.216 61.579 61.300 0.106 0.000 1.306 689 I CB 0.653 38.657 38.000 0.008 0.000 1.407 689 I HN 0.774 nan 8.210 nan 0.000 0.501 690 G N 3.925 112.882 108.800 0.262 0.000 2.355 690 G HA2 0.304 4.266 3.960 0.002 0.000 0.296 690 G HA3 0.304 4.266 3.960 0.002 0.000 0.296 690 G C -0.910 173.802 174.900 -0.312 0.000 1.507 690 G CA -0.303 44.801 45.100 0.006 0.000 0.823 690 G HN 0.726 nan 8.290 nan 0.000 0.569 691 T N -1.739 112.509 114.554 -0.509 0.000 2.849 691 T HA 0.525 4.876 4.350 0.002 0.000 0.284 691 T C 0.645 175.199 174.700 -0.243 0.000 1.004 691 T CA -0.447 61.335 62.100 -0.530 0.000 1.021 691 T CB 1.358 69.936 68.868 -0.483 0.000 1.013 691 T HN 0.609 nan 8.240 nan 0.000 0.527 692 M N 2.971 122.459 119.600 -0.188 0.000 2.775 692 M HA 0.420 4.901 4.480 0.002 0.000 0.313 692 M C -0.876 175.363 176.300 -0.101 0.000 1.429 692 M CA -0.417 54.814 55.300 -0.115 0.000 1.494 692 M CB -1.878 30.673 32.600 -0.082 0.000 1.274 692 M HN 0.887 nan 8.290 nan 0.000 0.491 693 D N 1.557 121.897 120.400 -0.100 0.000 2.692 693 D HA 0.713 5.354 4.640 0.002 0.000 0.303 693 D C 0.492 176.751 176.300 -0.069 0.000 1.278 693 D CA 0.721 54.675 54.000 -0.077 0.000 0.852 693 D CB 0.651 41.405 40.800 -0.077 0.000 1.375 693 D HN 0.590 nan 8.370 nan 0.000 0.453 694 G N 0.247 109.016 108.800 -0.050 0.000 2.651 694 G HA2 -0.124 3.837 3.960 0.002 0.000 0.315 694 G HA3 -0.124 3.837 3.960 0.002 0.000 0.315 694 G C 0.852 175.728 174.900 -0.040 0.000 1.258 694 G CA 1.305 46.378 45.100 -0.044 0.000 1.002 694 G HN 1.352 nan 8.290 nan 0.000 0.551 695 A N -0.023 122.764 122.820 -0.054 0.000 2.379 695 A HA 0.406 4.728 4.320 0.002 0.000 0.236 695 A C 1.850 179.347 177.584 -0.145 0.000 1.272 695 A CA 1.228 53.222 52.037 -0.071 0.000 0.886 695 A CB -0.177 18.772 19.000 -0.086 0.000 0.962 695 A HN 0.477 nan 8.150 nan 0.000 0.504 696 N N 0.251 118.874 118.700 -0.128 0.000 2.173 696 N HA -0.103 4.639 4.740 0.002 0.000 0.184 696 N C 1.765 177.129 175.510 -0.244 0.000 1.025 696 N CA 1.374 54.319 53.050 -0.174 0.000 0.852 696 N CB -0.401 38.029 38.487 -0.095 0.000 0.998 696 N HN 0.189 nan 8.380 nan 0.000 0.427 697 V N 1.571 121.397 119.914 -0.147 0.000 2.250 697 V HA -0.256 3.866 4.120 0.002 0.000 0.253 697 V C 1.468 177.496 176.094 -0.110 0.000 1.065 697 V CA 1.896 64.126 62.300 -0.117 0.000 1.039 697 V CB -0.442 31.341 31.823 -0.066 0.000 0.647 697 V HN 0.389 nan 8.190 nan 0.000 0.446 698 E N -1.694 118.478 120.200 -0.047 0.000 2.479 698 E HA 0.111 4.462 4.350 0.002 0.000 0.193 698 E C 1.774 178.451 176.600 0.129 0.000 1.049 698 E CA 0.047 56.479 56.400 0.052 0.000 0.870 698 E CB 0.210 30.006 29.700 0.160 0.000 0.944 698 E HN 0.559 nan 8.360 nan 0.000 0.492 699 M N -0.062 119.454 119.600 -0.140 0.000 2.384 699 M HA 0.096 4.577 4.480 0.002 0.000 0.258 699 M C 2.173 178.137 176.300 -0.561 0.000 1.130 699 M CA 0.936 56.058 55.300 -0.296 0.000 1.187 699 M CB 0.133 32.411 32.600 -0.536 0.000 1.307 699 M HN 0.167 nan 8.290 nan 0.000 0.468 700 A N 0.054 122.318 122.820 -0.928 0.000 2.139 700 A HA -0.241 4.080 4.320 0.002 0.000 0.221 700 A C 1.861 179.282 177.584 -0.272 0.000 1.159 700 A CA 2.116 53.735 52.037 -0.697 0.000 0.662 700 A CB -0.912 17.782 19.000 -0.511 0.000 0.796 700 A HN 0.680 nan 8.150 nan 0.000 0.463 701 E N -0.629 119.457 120.200 -0.189 0.000 2.057 701 E HA -0.135 4.217 4.350 0.002 0.000 0.190 701 E C 1.654 178.220 176.600 -0.056 0.000 0.969 701 E CA 0.698 57.043 56.400 -0.092 0.000 0.812 701 E CB -0.153 29.507 29.700 -0.066 0.000 0.777 701 E HN 0.454 nan 8.360 nan 0.000 0.455 702 E N 0.705 120.894 120.200 -0.019 0.000 2.077 702 E HA -0.133 4.218 4.350 0.002 0.000 0.193 702 E C 1.779 178.396 176.600 0.028 0.000 0.989 702 E CA 1.288 57.701 56.400 0.022 0.000 0.800 702 E CB -0.248 29.519 29.700 0.112 0.000 0.746 702 E HN 0.376 nan 8.360 nan 0.000 0.452 703 A N 0.396 123.234 122.820 0.030 0.000 2.251 703 A HA 0.364 4.685 4.320 0.002 0.000 0.209 703 A C 0.967 178.578 177.584 0.044 0.000 1.187 703 A CA 0.816 52.896 52.037 0.072 0.000 0.823 703 A CB -0.304 18.808 19.000 0.187 0.000 0.846 703 A HN 0.209 nan 8.150 nan 0.000 0.486 704 G N -0.209 108.591 108.800 -0.000 0.000 2.977 704 G HA2 -0.184 3.777 3.960 0.002 0.000 0.686 704 G HA3 -0.184 3.777 3.960 0.002 0.000 0.686 704 G C 0.372 175.275 174.900 0.006 0.000 1.088 704 G CA 0.101 45.197 45.100 -0.007 0.000 0.845 704 G HN 0.224 nan 8.290 nan 0.000 0.565 705 E N 1.559 121.749 120.200 -0.018 0.000 2.086 705 E HA -0.238 4.113 4.350 0.002 0.000 0.205 705 E C 2.243 178.855 176.600 0.019 0.000 1.027 705 E CA 2.259 58.658 56.400 -0.002 0.000 0.830 705 E CB 0.030 29.719 29.700 -0.018 0.000 0.751 705 E HN 0.805 nan 8.360 nan 0.000 0.456 706 E N 0.300 120.485 120.200 -0.026 0.000 2.516 706 E HA -0.020 4.331 4.350 0.002 0.000 0.199 706 E C 0.897 177.409 176.600 -0.146 0.000 1.069 706 E CA 0.262 56.611 56.400 -0.086 0.000 0.876 706 E CB -0.357 29.299 29.700 -0.073 0.000 0.843 706 E HN 0.247 nan 8.360 nan 0.000 0.530 707 N N -0.069 118.589 118.700 -0.070 0.000 2.314 707 N HA 0.086 4.827 4.740 0.002 0.000 0.200 707 N C -0.817 174.574 175.510 -0.198 0.000 1.135 707 N CA 0.134 53.108 53.050 -0.126 0.000 0.835 707 N CB 0.277 38.753 38.487 -0.018 0.000 0.989 707 N HN 0.082 nan 8.380 nan 0.000 0.478 708 F N -0.331 119.424 119.950 -0.326 0.000 2.546 708 F HA 0.370 4.897 4.527 0.001 0.000 0.320 708 F C -0.302 175.300 175.800 -0.329 0.000 1.076 708 F CA -1.055 56.798 58.000 -0.245 0.000 0.928 708 F CB 1.144 40.074 39.000 -0.117 0.000 1.189 708 F HN -0.192 nan 8.300 nan 0.000 0.465 709 F N 4.880 124.752 119.950 -0.130 0.000 2.640 709 F HA 0.298 4.826 4.527 0.002 0.000 0.331 709 F C 0.004 175.901 175.800 0.162 0.000 1.200 709 F CA -0.534 57.477 58.000 0.017 0.000 1.278 709 F CB -0.459 38.514 39.000 -0.044 0.000 1.571 709 F HN 0.022 nan 8.300 nan 0.000 0.576 710 I N 2.700 123.442 120.570 0.286 0.000 2.683 710 I HA -0.001 4.171 4.170 0.002 0.000 0.286 710 I C 0.236 176.501 176.117 0.247 0.000 1.175 710 I CA 0.126 61.551 61.300 0.209 0.000 1.429 710 I CB -0.885 37.184 38.000 0.115 0.000 1.371 710 I HN 0.288 nan 8.210 nan 0.000 0.569 711 F N 2.941 122.944 119.950 0.089 0.000 2.922 711 F HA 0.887 5.415 4.527 0.002 0.000 0.345 711 F C 0.544 176.374 175.800 0.050 0.000 1.209 711 F CA -0.445 57.599 58.000 0.073 0.000 1.018 711 F CB 0.403 39.457 39.000 0.090 0.000 1.472 711 F HN 0.754 nan 8.300 nan 0.000 0.521 712 G N 0.739 109.759 108.800 0.366 0.000 2.749 712 G HA2 -0.210 3.751 3.960 0.002 0.000 0.242 712 G HA3 -0.210 3.751 3.960 0.002 0.000 0.242 712 G C -0.549 174.387 174.900 0.060 0.000 1.364 712 G CA -0.270 44.957 45.100 0.212 0.000 0.888 712 G HN 0.929 nan 8.290 nan 0.000 0.566 713 M N -0.152 119.475 119.600 0.045 0.000 2.252 713 M HA 0.280 4.762 4.480 0.002 0.000 0.329 713 M C 0.999 177.289 176.300 -0.018 0.000 1.101 713 M CA 0.406 55.720 55.300 0.024 0.000 1.117 713 M CB 0.344 32.956 32.600 0.021 0.000 1.563 713 M HN 0.561 nan 8.290 nan 0.000 0.445 714 R N 0.774 121.271 120.500 -0.004 0.000 2.691 714 R HA 0.374 4.715 4.340 0.002 0.000 0.259 714 R C 0.840 177.131 176.300 -0.015 0.000 1.048 714 R CA -0.552 55.536 56.100 -0.021 0.000 1.086 714 R CB 0.733 31.028 30.300 -0.008 0.000 1.166 714 R HN 0.584 nan 8.270 nan 0.000 0.526 715 V N 1.256 121.157 119.914 -0.022 0.000 2.282 715 V HA -0.280 3.842 4.120 0.002 0.000 0.249 715 V C 2.239 178.331 176.094 -0.004 0.000 1.057 715 V CA 2.177 64.468 62.300 -0.015 0.000 1.032 715 V CB -0.547 31.265 31.823 -0.019 0.000 0.645 715 V HN 0.737 nan 8.190 nan 0.000 0.447 716 E N 1.663 121.862 120.200 -0.001 0.000 2.110 716 E HA -0.311 4.040 4.350 0.002 0.000 0.225 716 E C 1.800 178.411 176.600 0.018 0.000 1.063 716 E CA 2.541 58.946 56.400 0.008 0.000 0.906 716 E CB -0.551 29.155 29.700 0.010 0.000 0.795 716 E HN 0.847 nan 8.360 nan 0.000 0.479 717 D N -0.262 120.153 120.400 0.024 0.000 2.355 717 D HA -0.049 4.592 4.640 0.002 0.000 0.218 717 D C 2.126 178.451 176.300 0.041 0.000 1.004 717 D CA 0.372 54.397 54.000 0.041 0.000 0.880 717 D CB -0.227 40.606 40.800 0.054 0.000 0.911 717 D HN 0.152 nan 8.370 nan 0.000 0.528 718 V N 1.643 121.570 119.914 0.022 0.000 2.270 718 V HA -0.241 3.880 4.120 0.002 0.000 0.245 718 V C 1.744 177.851 176.094 0.020 0.000 1.043 718 V CA 2.032 64.340 62.300 0.014 0.000 1.014 718 V CB -0.719 31.102 31.823 -0.002 0.000 0.645 718 V HN 0.007 nan 8.190 nan 0.000 0.447 719 D N -0.053 120.357 120.400 0.017 0.000 2.158 719 D HA -0.173 4.468 4.640 0.002 0.000 0.197 719 D C 2.357 178.676 176.300 0.032 0.000 0.995 719 D CA 1.028 55.039 54.000 0.018 0.000 0.846 719 D CB -0.228 40.580 40.800 0.013 0.000 0.941 719 D HN 0.242 nan 8.370 nan 0.000 0.456 720 R N -0.096 120.427 120.500 0.039 0.000 2.096 720 R HA -0.058 4.283 4.340 0.002 0.000 0.235 720 R C 2.189 178.532 176.300 0.072 0.000 1.127 720 R CA 0.438 56.568 56.100 0.051 0.000 0.968 720 R CB -0.818 29.513 30.300 0.052 0.000 0.861 720 R HN 0.275 nan 8.270 nan 0.000 0.440 721 L N 1.544 122.819 121.223 0.085 0.000 2.109 721 L HA -0.083 4.259 4.340 0.002 0.000 0.207 721 L C 1.550 178.499 176.870 0.132 0.000 1.086 721 L CA 1.765 56.684 54.840 0.133 0.000 0.760 721 L CB -0.361 41.787 42.059 0.148 0.000 0.910 721 L HN 0.018 nan 8.230 nan 0.000 0.437 722 D N -1.014 119.438 120.400 0.086 0.000 2.144 722 D HA -0.215 4.426 4.640 0.002 0.000 0.200 722 D C 1.964 178.303 176.300 0.065 0.000 0.978 722 D CA 0.984 55.027 54.000 0.072 0.000 0.833 722 D CB 0.174 40.996 40.800 0.036 0.000 0.961 722 D HN 0.498 nan 8.370 nan 0.000 0.470 723 Q N 0.511 120.345 119.800 0.057 0.000 2.020 723 Q HA -0.176 4.166 4.340 0.002 0.000 0.202 723 Q C 1.884 177.916 176.000 0.053 0.000 0.982 723 Q CA 1.525 57.357 55.803 0.047 0.000 0.838 723 Q CB 0.129 28.892 28.738 0.041 0.000 0.899 723 Q HN 0.127 nan 8.270 nan 0.000 0.423 724 R N -0.897 119.643 120.500 0.066 0.000 2.317 724 R HA 0.242 4.584 4.340 0.002 0.000 0.208 724 R C -0.116 176.228 176.300 0.073 0.000 0.914 724 R CA 0.725 56.862 56.100 0.062 0.000 1.060 724 R CB 0.187 30.522 30.300 0.059 0.000 1.015 724 R HN 0.154 nan 8.270 nan 0.000 0.498 725 G N 1.001 109.858 108.800 0.096 0.000 3.421 725 G HA2 -0.292 3.670 3.960 0.002 0.000 0.656 725 G HA3 -0.292 3.670 3.960 0.002 0.000 0.656 725 G C -0.996 174.002 174.900 0.163 0.000 1.007 725 G CA -0.216 44.952 45.100 0.113 0.000 0.811 725 G HN 0.399 nan 8.290 nan 0.000 0.433 726 Y N 2.702 123.056 120.300 0.090 0.000 2.569 726 Y HA 0.357 4.908 4.550 0.002 0.000 0.332 726 Y C 0.844 176.833 175.900 0.149 0.000 1.120 726 Y CA 0.125 58.311 58.100 0.142 0.000 1.416 726 Y CB 0.658 39.195 38.460 0.129 0.000 1.210 726 Y HN 0.578 nan 8.280 nan 0.000 0.528 727 N N 5.216 123.745 118.700 -0.285 0.000 2.818 727 N HA 0.338 5.080 4.740 0.002 0.000 0.301 727 N C 1.013 176.371 175.510 -0.254 0.000 1.821 727 N CA 0.431 53.337 53.050 -0.241 0.000 0.930 727 N CB 0.110 38.553 38.487 -0.074 0.000 1.263 727 N HN 0.930 nan 8.380 nan 0.000 0.487 728 A N 0.860 123.361 122.820 -0.531 0.000 1.933 728 A HA -0.411 3.910 4.320 0.002 0.000 0.252 728 A C 1.990 179.773 177.584 0.331 0.000 2.192 728 A CA 2.432 54.450 52.037 -0.031 0.000 0.766 728 A CB -1.015 17.928 19.000 -0.094 0.000 0.834 728 A HN 0.684 nan 8.150 nan 0.000 0.553 729 Q N -0.348 119.549 119.800 0.161 0.000 2.152 729 Q HA -0.235 4.106 4.340 0.002 0.000 0.206 729 Q C 1.976 178.077 176.000 0.168 0.000 0.985 729 Q CA 2.449 58.365 55.803 0.188 0.000 0.863 729 Q CB -0.318 28.493 28.738 0.122 0.000 0.904 729 Q HN 0.940 nan 8.270 nan 0.000 0.422 730 E N -1.713 118.510 120.200 0.039 0.000 2.072 730 E HA -0.230 4.121 4.350 0.002 0.000 0.191 730 E C 1.602 178.146 176.600 -0.093 0.000 0.985 730 E CA 1.256 57.614 56.400 -0.069 0.000 0.801 730 E CB -0.694 28.889 29.700 -0.195 0.000 0.750 730 E HN 0.445 nan 8.360 nan 0.000 0.452 731 Y N 0.135 120.469 120.300 0.057 0.000 2.207 731 Y HA -0.252 4.299 4.550 0.002 0.000 0.287 731 Y C 2.365 178.180 175.900 -0.141 0.000 1.156 731 Y CA 1.544 59.643 58.100 -0.002 0.000 1.182 731 Y CB -0.804 37.702 38.460 0.077 0.000 0.979 731 Y HN 0.178 nan 8.280 nan 0.000 0.521 732 Y N 0.841 121.072 120.300 -0.115 0.000 2.274 732 Y HA -0.233 4.318 4.550 0.003 0.000 0.290 732 Y C 1.756 177.589 175.900 -0.112 0.000 1.145 732 Y CA 1.712 59.689 58.100 -0.205 0.000 1.203 732 Y CB -0.267 38.157 38.460 -0.060 0.000 0.984 732 Y HN 0.089 nan 8.280 nan 0.000 0.533 733 D N -0.931 119.435 120.400 -0.055 0.000 2.354 733 D HA 0.004 4.645 4.640 0.002 0.000 0.209 733 D C 1.868 178.094 176.300 -0.124 0.000 1.015 733 D CA 0.490 54.419 54.000 -0.118 0.000 0.867 733 D CB 0.219 41.015 40.800 -0.008 0.000 0.933 733 D HN 0.570 nan 8.370 nan 0.000 0.520 734 R N 0.164 120.604 120.500 -0.100 0.000 2.056 734 R HA 0.235 4.576 4.340 0.002 0.000 0.215 734 R C 1.131 177.376 176.300 -0.090 0.000 1.205 734 R CA -0.023 56.031 56.100 -0.076 0.000 1.020 734 R CB -0.497 29.782 30.300 -0.035 0.000 0.911 734 R HN -0.054 nan 8.270 nan 0.000 0.451 735 I N 3.936 124.457 120.570 -0.082 0.000 2.581 735 I HA 0.024 4.195 4.170 0.002 0.000 0.285 735 I C -1.751 174.278 176.117 -0.147 0.000 1.129 735 I CA -1.588 59.671 61.300 -0.067 0.000 1.397 735 I CB 0.919 38.902 38.000 -0.029 0.000 1.399 735 I HN 0.061 nan 8.210 nan 0.000 0.537 736 P HA -0.023 nan 4.420 nan 0.000 0.226 736 P C 0.827 178.069 177.300 -0.097 0.000 1.161 736 P CA 0.798 63.827 63.100 -0.119 0.000 0.804 736 P CB 0.292 31.947 31.700 -0.076 0.000 0.829 737 E N -0.677 119.499 120.200 -0.041 0.000 2.208 737 E HA -0.082 4.269 4.350 0.002 0.000 0.193 737 E C 1.727 178.282 176.600 -0.076 0.000 0.988 737 E CA 0.385 56.782 56.400 -0.005 0.000 0.828 737 E CB -0.873 28.889 29.700 0.103 0.000 0.763 737 E HN 0.082 nan 8.360 nan 0.000 0.478 738 L N 1.235 122.308 121.223 -0.251 0.000 1.948 738 L HA -0.148 4.194 4.340 0.002 0.000 0.212 738 L C 2.345 179.094 176.870 -0.203 0.000 1.074 738 L CA 1.850 56.427 54.840 -0.438 0.000 0.753 738 L CB -0.473 41.156 42.059 -0.718 0.000 0.888 738 L HN -0.017 nan 8.230 nan 0.000 0.432 739 R N -0.760 119.573 120.500 -0.278 0.000 2.165 739 R HA -0.308 4.034 4.340 0.002 0.000 0.254 739 R C 2.346 178.623 176.300 -0.038 0.000 1.153 739 R CA 2.429 58.342 56.100 -0.310 0.000 0.971 739 R CB -0.455 29.466 30.300 -0.632 0.000 0.878 739 R HN 0.672 nan 8.270 nan 0.000 0.449 740 Q N 0.729 120.492 119.800 -0.061 0.000 2.079 740 Q HA -0.162 4.180 4.340 0.002 0.000 0.200 740 Q C 2.224 178.262 176.000 0.064 0.000 0.974 740 Q CA 2.050 57.850 55.803 -0.005 0.000 0.840 740 Q CB -0.206 28.519 28.738 -0.021 0.000 0.898 740 Q HN 0.654 nan 8.270 nan 0.000 0.430 741 I N -1.778 118.843 120.570 0.086 0.000 2.353 741 I HA -0.178 3.993 4.170 0.002 0.000 0.248 741 I C 1.940 178.171 176.117 0.190 0.000 1.119 741 I CA 0.588 61.992 61.300 0.173 0.000 1.417 741 I CB -0.594 37.504 38.000 0.163 0.000 1.078 741 I HN 0.101 nan 8.210 nan 0.000 0.421 742 I N 1.894 122.575 120.570 0.185 0.000 2.208 742 I HA -0.210 3.961 4.170 0.002 0.000 0.245 742 I C 2.588 178.817 176.117 0.188 0.000 1.097 742 I CA 1.561 62.989 61.300 0.213 0.000 1.363 742 I CB -1.335 36.842 38.000 0.295 0.000 1.051 742 I HN 0.345 nan 8.210 nan 0.000 0.413 743 E N 0.271 120.577 120.200 0.177 0.000 2.427 743 E HA -0.130 4.221 4.350 0.002 0.000 0.196 743 E C 2.107 178.772 176.600 0.108 0.000 1.028 743 E CA 0.424 56.904 56.400 0.133 0.000 0.864 743 E CB 0.010 29.775 29.700 0.108 0.000 0.813 743 E HN 0.601 nan 8.360 nan 0.000 0.514 744 Q N -0.122 119.757 119.800 0.132 0.000 2.163 744 Q HA 0.048 4.389 4.340 0.002 0.000 0.198 744 Q C 2.336 178.466 176.000 0.216 0.000 0.954 744 Q CA 0.503 56.384 55.803 0.131 0.000 0.851 744 Q CB 0.152 29.001 28.738 0.185 0.000 0.928 744 Q HN 0.239 nan 8.270 nan 0.000 0.459 745 L N -0.039 121.354 121.223 0.284 0.000 1.994 745 L HA -0.203 4.139 4.340 0.002 0.000 0.208 745 L C 2.444 179.482 176.870 0.280 0.000 1.071 745 L CA 1.139 56.180 54.840 0.336 0.000 0.745 745 L CB -0.613 41.594 42.059 0.246 0.000 0.892 745 L HN 0.144 nan 8.230 nan 0.000 0.431 746 S N 0.258 116.074 115.700 0.194 0.000 2.343 746 S HA -0.186 4.285 4.470 0.002 0.000 0.219 746 S C 2.069 176.741 174.600 0.120 0.000 1.033 746 S CA 1.666 59.955 58.200 0.147 0.000 1.014 746 S CB -0.499 62.768 63.200 0.112 0.000 0.915 746 S HN 0.607 nan 8.310 nan 0.000 0.435 747 S N 1.069 116.830 115.700 0.102 0.000 2.528 747 S HA 0.108 4.579 4.470 0.002 0.000 0.244 747 S C 1.432 176.081 174.600 0.082 0.000 0.982 747 S CA 0.819 59.065 58.200 0.077 0.000 0.953 747 S CB -0.969 62.266 63.200 0.058 0.000 0.754 747 S HN 1.064 nan 8.310 nan 0.000 0.529 748 G N 0.629 109.495 108.800 0.111 0.000 2.225 748 G HA2 -0.294 3.667 3.960 0.002 0.000 0.264 748 G HA3 -0.294 3.667 3.960 0.002 0.000 0.264 748 G C 0.050 174.992 174.900 0.069 0.000 1.060 748 G CA 0.207 45.359 45.100 0.086 0.000 0.833 748 G HN 0.523 nan 8.290 nan 0.000 0.498 749 F N 0.331 120.194 119.950 -0.145 0.000 2.102 749 F HA 0.183 4.711 4.527 0.002 0.000 0.298 749 F C 1.998 177.564 175.800 -0.389 0.000 1.105 749 F CA 1.505 59.299 58.000 -0.342 0.000 1.239 749 F CB -0.275 38.367 39.000 -0.596 0.000 0.991 749 F HN 0.180 nan 8.300 nan 0.000 0.474 750 F N 0.114 120.063 119.950 -0.002 0.000 2.780 750 F HA 0.122 4.650 4.527 0.002 0.000 0.299 750 F C 1.346 177.146 175.800 0.000 0.000 1.146 750 F CA 0.567 58.510 58.000 -0.095 0.000 1.428 750 F CB -0.762 38.260 39.000 0.038 0.000 1.115 750 F HN 0.018 nan 8.300 nan 0.000 0.583 751 S N -0.753 115.003 115.700 0.093 0.000 2.526 751 S HA 0.239 4.711 4.470 0.002 0.000 0.220 751 S C -1.810 172.759 174.600 -0.052 0.000 1.159 751 S CA -0.920 57.261 58.200 -0.031 0.000 1.196 751 S CB 0.401 63.455 63.200 -0.244 0.000 1.225 751 S HN -0.034 nan 8.310 nan 0.000 0.432 752 P HA -0.133 nan 4.420 nan 0.000 0.216 752 P C 0.933 178.222 177.300 -0.017 0.000 1.150 752 P CA 1.321 64.409 63.100 -0.021 0.000 0.837 752 P CB 0.193 31.881 31.700 -0.020 0.000 0.786 753 K N -0.635 119.751 120.400 -0.023 0.000 2.155 753 K HA -0.029 4.293 4.320 0.002 0.000 0.203 753 K C 0.937 177.523 176.600 -0.023 0.000 1.052 753 K CA 1.069 57.346 56.287 -0.016 0.000 0.948 753 K CB -0.376 32.119 32.500 -0.009 0.000 0.728 753 K HN 0.255 nan 8.250 nan 0.000 0.448 754 Q N -0.496 119.277 119.800 -0.045 0.000 2.523 754 Q HA 0.225 4.567 4.340 0.002 0.000 0.251 754 Q C -2.216 173.744 176.000 -0.067 0.000 1.033 754 Q CA -1.682 54.091 55.803 -0.050 0.000 0.746 754 Q CB 1.645 30.348 28.738 -0.059 0.000 1.189 754 Q HN -0.095 nan 8.270 nan 0.000 0.508 755 P HA -0.242 nan 4.420 nan 0.000 0.215 755 P C 0.363 177.658 177.300 -0.008 0.000 1.163 755 P CA 1.489 64.584 63.100 -0.009 0.000 0.894 755 P CB 0.213 31.920 31.700 0.011 0.000 0.791 756 D N -1.081 119.315 120.400 -0.007 0.000 2.392 756 D HA -0.101 4.541 4.640 0.002 0.000 0.228 756 D C 1.601 177.890 176.300 -0.018 0.000 1.003 756 D CA 0.180 54.185 54.000 0.009 0.000 0.917 756 D CB -1.032 39.778 40.800 0.017 0.000 0.890 756 D HN 0.093 nan 8.370 nan 0.000 0.532 757 L N -0.531 120.613 121.223 -0.132 0.000 2.131 757 L HA -0.002 4.339 4.340 0.002 0.000 0.210 757 L C 0.899 177.640 176.870 -0.216 0.000 1.092 757 L CA 1.384 56.072 54.840 -0.252 0.000 0.759 757 L CB -0.570 41.171 42.059 -0.531 0.000 0.903 757 L HN -0.094 nan 8.230 nan 0.000 0.435 758 F N -0.818 119.178 119.950 0.076 0.000 2.660 758 F HA 0.219 4.748 4.527 0.003 0.000 0.297 758 F C 1.788 177.626 175.800 0.064 0.000 1.132 758 F CA -0.483 57.554 58.000 0.062 0.000 1.372 758 F CB -0.660 38.372 39.000 0.053 0.000 1.003 758 F HN -0.063 nan 8.300 nan 0.000 0.524 759 K N 0.977 121.494 120.400 0.195 0.000 2.113 759 K HA -0.199 4.122 4.320 0.002 0.000 0.208 759 K C 1.379 178.065 176.600 0.143 0.000 1.047 759 K CA 1.869 58.244 56.287 0.146 0.000 0.928 759 K CB -0.541 32.026 32.500 0.111 0.000 0.716 759 K HN 0.381 nan 8.250 nan 0.000 0.446 760 D N 0.368 120.875 120.400 0.178 0.000 2.084 760 D HA -0.142 4.499 4.640 0.002 0.000 0.194 760 D C 2.069 178.442 176.300 0.122 0.000 0.990 760 D CA 1.042 55.155 54.000 0.189 0.000 0.826 760 D CB -0.664 40.324 40.800 0.313 0.000 0.971 760 D HN 0.207 nan 8.370 nan 0.000 0.453 761 I N 0.652 121.287 120.570 0.107 0.000 2.127 761 I HA -0.266 3.906 4.170 0.002 0.000 0.241 761 I C 2.450 178.550 176.117 -0.028 0.000 1.075 761 I CA 0.774 62.085 61.300 0.019 0.000 1.334 761 I CB -0.538 37.451 38.000 -0.018 0.000 1.040 761 I HN -0.064 nan 8.210 nan 0.000 0.405 762 V N 1.390 121.312 119.914 0.014 0.000 2.222 762 V HA -0.390 3.731 4.120 0.002 0.000 0.252 762 V C 2.168 178.189 176.094 -0.122 0.000 1.060 762 V CA 2.797 65.085 62.300 -0.020 0.000 1.027 762 V CB -1.018 30.830 31.823 0.042 0.000 0.644 762 V HN 0.452 nan 8.190 nan 0.000 0.448 763 N N -0.931 117.725 118.700 -0.073 0.000 2.104 763 N HA -0.210 4.531 4.740 0.002 0.000 0.190 763 N C 1.808 177.133 175.510 -0.308 0.000 1.024 763 N CA 1.620 54.608 53.050 -0.103 0.000 0.853 763 N CB -0.267 38.258 38.487 0.063 0.000 1.008 763 N HN 0.327 nan 8.380 nan 0.000 0.424 764 M N 0.409 119.823 119.600 -0.311 0.000 2.082 764 M HA -0.155 4.327 4.480 0.002 0.000 0.258 764 M C 1.545 177.583 176.300 -0.436 0.000 1.071 764 M CA 1.555 56.559 55.300 -0.493 0.000 1.103 764 M CB -0.792 31.711 32.600 -0.162 0.000 1.307 764 M HN 0.143 nan 8.290 nan 0.000 0.409 765 L N 0.523 121.542 121.223 -0.340 0.000 1.971 765 L HA -0.257 4.084 4.340 0.002 0.000 0.215 765 L C 2.617 179.164 176.870 -0.538 0.000 1.072 765 L CA 1.985 56.553 54.840 -0.454 0.000 0.758 765 L CB -1.415 40.347 42.059 -0.496 0.000 0.889 765 L HN 0.412 nan 8.230 nan 0.000 0.433 766 M N -1.803 117.485 119.600 -0.520 0.000 2.213 766 M HA -0.184 4.298 4.480 0.002 0.000 0.263 766 M C 1.391 177.353 176.300 -0.564 0.000 1.062 766 M CA 1.465 56.422 55.300 -0.571 0.000 1.105 766 M CB -0.436 31.729 32.600 -0.726 0.000 1.385 766 M HN 0.389 nan 8.290 nan 0.000 0.417 767 H N -2.292 116.673 119.070 -0.174 0.000 3.535 767 H HA 0.191 4.748 4.556 0.002 0.000 0.260 767 H C -0.167 175.188 175.328 0.045 0.000 1.173 767 H CA 0.400 56.420 56.048 -0.047 0.000 1.168 767 H CB 0.247 30.036 29.762 0.046 0.000 1.568 767 H HN 0.585 nan 8.280 nan 0.000 0.602 768 H N -1.894 117.227 119.070 0.084 0.000 3.385 768 H HA 0.238 4.795 4.556 0.002 0.000 0.205 768 H C -1.347 174.010 175.328 0.049 0.000 1.317 768 H CA -0.685 55.406 56.048 0.072 0.000 1.289 768 H CB -0.478 29.325 29.762 0.068 0.000 2.427 768 H HN -0.084 nan 8.280 nan 0.000 0.522 769 D N 1.193 121.626 120.400 0.055 0.000 2.380 769 D HA 0.105 4.747 4.640 0.002 0.000 0.230 769 D C 1.341 177.636 176.300 -0.008 0.000 1.154 769 D CA -0.621 53.401 54.000 0.038 0.000 0.859 769 D CB 1.034 41.831 40.800 -0.004 0.000 1.045 769 D HN 0.535 nan 8.370 nan 0.000 0.495 770 R N 2.841 123.251 120.500 -0.149 0.000 2.241 770 R HA -0.085 4.256 4.340 0.002 0.000 0.224 770 R C 0.369 176.243 176.300 -0.710 0.000 1.101 770 R CA 1.158 56.960 56.100 -0.496 0.000 0.995 770 R CB -0.026 29.828 30.300 -0.743 0.000 0.870 770 R HN 0.423 nan 8.270 nan 0.000 0.463 771 F N 0.141 120.075 119.950 -0.027 0.000 2.682 771 F HA 0.338 4.866 4.527 0.002 0.000 0.308 771 F C -0.077 175.615 175.800 -0.181 0.000 1.093 771 F CA -0.324 57.638 58.000 -0.064 0.000 1.244 771 F CB 0.549 39.566 39.000 0.029 0.000 1.052 771 F HN -0.177 nan 8.300 nan 0.000 0.573 772 K N -0.291 119.959 120.400 -0.250 0.000 3.549 772 K HA -0.133 4.188 4.320 0.002 0.000 0.275 772 K C 0.615 177.086 176.600 -0.216 0.000 1.060 772 K CA 0.034 55.974 56.287 -0.579 0.000 0.812 772 K CB -1.722 30.427 32.500 -0.586 0.000 1.374 772 K HN 0.144 nan 8.250 nan 0.000 0.455 773 V N 0.473 120.335 119.914 -0.087 0.000 2.232 773 V HA -0.210 3.912 4.120 0.002 0.000 0.239 773 V C 1.939 178.116 176.094 0.137 0.000 1.040 773 V CA 1.936 64.247 62.300 0.018 0.000 0.996 773 V CB -0.399 31.423 31.823 -0.002 0.000 0.638 773 V HN 0.482 nan 8.190 nan 0.000 0.453 774 F N 1.110 121.097 119.950 0.060 0.000 2.079 774 F HA -0.363 4.166 4.527 0.003 0.000 0.296 774 F C 2.518 178.155 175.800 -0.271 0.000 1.084 774 F CA 1.658 59.658 58.000 0.001 0.000 1.236 774 F CB -1.786 37.255 39.000 0.068 0.000 0.984 774 F HN 0.200 nan 8.300 nan 0.000 0.488 775 A N -0.241 122.417 122.820 -0.270 0.000 1.884 775 A HA -0.245 4.077 4.320 0.002 0.000 0.219 775 A C 1.819 179.329 177.584 -0.123 0.000 1.197 775 A CA 2.230 53.944 52.037 -0.538 0.000 0.637 775 A CB -0.958 17.909 19.000 -0.222 0.000 0.827 775 A HN 0.322 nan 8.150 nan 0.000 0.450 776 D N -2.352 118.060 120.400 0.021 0.000 2.323 776 D HA 0.065 4.706 4.640 0.002 0.000 0.239 776 D C 1.014 177.422 176.300 0.181 0.000 1.129 776 D CA 0.147 54.234 54.000 0.146 0.000 0.865 776 D CB -0.181 40.734 40.800 0.192 0.000 0.913 776 D HN 0.655 nan 8.370 nan 0.000 0.517 777 Y N 1.254 121.600 120.300 0.077 0.000 2.184 777 Y HA -0.160 4.392 4.550 0.003 0.000 0.290 777 Y C 2.266 178.220 175.900 0.089 0.000 1.129 777 Y CA 1.550 59.718 58.100 0.115 0.000 1.144 777 Y CB 0.284 38.807 38.460 0.104 0.000 0.995 777 Y HN -0.124 nan 8.280 nan 0.000 0.513 778 E N 0.698 120.976 120.200 0.131 0.000 2.031 778 E HA -0.258 4.093 4.350 0.002 0.000 0.193 778 E C 2.106 178.658 176.600 -0.080 0.000 0.994 778 E CA 1.870 58.278 56.400 0.013 0.000 0.800 778 E CB -0.343 29.436 29.700 0.132 0.000 0.752 778 E HN 0.560 nan 8.360 nan 0.000 0.447 779 E N -1.309 118.898 120.200 0.012 0.000 2.118 779 E HA -0.227 4.125 4.350 0.002 0.000 0.195 779 E C 1.816 178.330 176.600 -0.142 0.000 0.992 779 E CA 1.290 57.698 56.400 0.014 0.000 0.804 779 E CB -0.382 29.410 29.700 0.153 0.000 0.741 779 E HN 0.483 nan 8.360 nan 0.000 0.458 780 Y N 0.143 120.192 120.300 -0.419 0.000 2.263 780 Y HA -0.113 4.439 4.550 0.003 0.000 0.292 780 Y C 1.850 177.360 175.900 -0.649 0.000 1.130 780 Y CA 1.403 58.988 58.100 -0.858 0.000 1.179 780 Y CB -0.224 37.739 38.460 -0.829 0.000 0.998 780 Y HN 0.062 nan 8.280 nan 0.000 0.532 781 V N -1.375 118.159 119.914 -0.634 0.000 2.453 781 V HA -0.137 3.984 4.120 0.002 0.000 0.247 781 V C 2.176 178.008 176.094 -0.437 0.000 1.048 781 V CA 1.650 63.575 62.300 -0.625 0.000 1.049 781 V CB -0.718 30.821 31.823 -0.473 0.000 0.672 781 V HN 0.098 nan 8.190 nan 0.000 0.457 782 K N 0.373 120.590 120.400 -0.305 0.000 2.057 782 K HA -0.094 4.227 4.320 0.002 0.000 0.207 782 K C 2.322 178.796 176.600 -0.210 0.000 1.049 782 K CA 1.694 57.867 56.287 -0.190 0.000 0.931 782 K CB -1.369 31.071 32.500 -0.101 0.000 0.714 782 K HN 0.594 nan 8.250 nan 0.000 0.440 783 C N 1.877 121.022 119.300 -0.259 0.000 2.419 783 C HA -0.068 4.394 4.460 0.002 0.000 0.281 783 C C 2.607 177.407 174.990 -0.317 0.000 1.336 783 C CA 0.712 59.619 59.018 -0.185 0.000 1.770 783 C CB -0.585 27.075 27.740 -0.132 0.000 1.929 783 C HN 0.393 nan 8.230 nan 0.000 0.509 784 Q N 0.147 119.631 119.800 -0.528 0.000 2.137 784 Q HA -0.124 4.218 4.340 0.002 0.000 0.198 784 Q C 2.060 177.865 176.000 -0.324 0.000 0.960 784 Q CA 1.285 56.746 55.803 -0.570 0.000 0.847 784 Q CB -0.286 27.881 28.738 -0.953 0.000 0.915 784 Q HN 0.743 nan 8.270 nan 0.000 0.448 785 E N 0.682 120.740 120.200 -0.236 0.000 2.038 785 E HA -0.191 4.161 4.350 0.002 0.000 0.195 785 E C 2.042 178.601 176.600 -0.068 0.000 1.000 785 E CA 1.048 57.378 56.400 -0.116 0.000 0.803 785 E CB -0.023 29.623 29.700 -0.090 0.000 0.750 785 E HN 0.232 nan 8.360 nan 0.000 0.448 786 R N 0.198 120.665 120.500 -0.054 0.000 2.152 786 R HA -0.107 4.235 4.340 0.002 0.000 0.232 786 R C 2.319 178.635 176.300 0.026 0.000 1.117 786 R CA 0.913 57.040 56.100 0.046 0.000 0.981 786 R CB -0.186 30.201 30.300 0.145 0.000 0.870 786 R HN 0.092 nan 8.270 nan 0.000 0.451 787 V N 0.423 120.210 119.914 -0.211 0.000 2.283 787 V HA -0.190 3.931 4.120 0.002 0.000 0.243 787 V C 2.094 178.155 176.094 -0.056 0.000 1.039 787 V CA 1.992 64.074 62.300 -0.364 0.000 1.016 787 V CB -0.326 31.104 31.823 -0.654 0.000 0.650 787 V HN 0.280 nan 8.190 nan 0.000 0.449 788 S N 0.894 116.567 115.700 -0.046 0.000 2.399 788 S HA -0.166 4.305 4.470 0.002 0.000 0.231 788 S C 2.187 176.871 174.600 0.140 0.000 1.022 788 S CA 1.287 59.522 58.200 0.058 0.000 0.983 788 S CB -0.558 62.647 63.200 0.007 0.000 0.803 788 S HN 0.626 nan 8.310 nan 0.000 0.480 789 A N 1.652 124.537 122.820 0.108 0.000 1.865 789 A HA -0.031 4.291 4.320 0.002 0.000 0.217 789 A C 2.136 179.818 177.584 0.163 0.000 1.191 789 A CA 1.463 53.575 52.037 0.125 0.000 0.623 789 A CB -0.778 18.283 19.000 0.101 0.000 0.826 789 A HN 0.430 nan 8.150 nan 0.000 0.444 790 L N -2.154 119.206 121.223 0.227 0.000 2.291 790 L HA -0.049 4.293 4.340 0.002 0.000 0.214 790 L C 2.201 179.303 176.870 0.388 0.000 1.120 790 L CA 1.237 56.261 54.840 0.306 0.000 0.799 790 L CB -0.367 41.937 42.059 0.408 0.000 0.925 790 L HN 0.525 nan 8.230 nan 0.000 0.446 791 Y N 0.527 120.931 120.300 0.172 0.000 2.373 791 Y HA -0.117 4.434 4.550 0.002 0.000 0.293 791 Y C 1.641 177.502 175.900 -0.065 0.000 1.129 791 Y CA 0.868 58.914 58.100 -0.090 0.000 1.226 791 Y CB -0.087 38.253 38.460 -0.199 0.000 1.000 791 Y HN 0.027 nan 8.280 nan 0.000 0.549 792 K N 1.927 122.332 120.400 0.007 0.000 2.715 792 K HA 0.017 4.339 4.320 0.002 0.000 0.248 792 K C -0.850 175.718 176.600 -0.053 0.000 1.276 792 K CA 0.376 56.639 56.287 -0.039 0.000 1.209 792 K CB -1.117 31.445 32.500 0.105 0.000 1.509 792 K HN 0.314 nan 8.250 nan 0.000 0.261 793 N N 1.578 120.218 118.700 -0.100 0.000 4.216 793 N HA 0.019 4.760 4.740 0.002 0.000 0.128 793 N C -2.701 172.795 175.510 -0.024 0.000 1.316 793 N CA -0.645 52.380 53.050 -0.042 0.000 1.428 793 N CB 0.330 38.832 38.487 0.026 0.000 1.698 793 N HN 0.059 nan 8.380 nan 0.000 0.768 794 P HA -0.084 nan 4.420 nan 0.000 0.218 794 P C 1.323 178.650 177.300 0.046 0.000 1.146 794 P CA 1.004 64.064 63.100 -0.067 0.000 0.813 794 P CB 0.313 31.935 31.700 -0.130 0.000 0.778 795 R N -0.459 120.063 120.500 0.036 0.000 2.119 795 R HA -0.080 4.262 4.340 0.002 0.000 0.222 795 R C 1.774 178.124 176.300 0.084 0.000 1.088 795 R CA 1.008 57.139 56.100 0.052 0.000 0.984 795 R CB -0.042 30.276 30.300 0.029 0.000 0.884 795 R HN 0.095 nan 8.270 nan 0.000 0.447 796 E N -0.620 119.640 120.200 0.100 0.000 2.086 796 E HA -0.182 4.169 4.350 0.002 0.000 0.190 796 E C 1.434 178.128 176.600 0.157 0.000 0.975 796 E CA 0.686 57.148 56.400 0.104 0.000 0.813 796 E CB -0.421 29.332 29.700 0.088 0.000 0.768 796 E HN 0.400 nan 8.360 nan 0.000 0.457 797 W N 2.317 123.639 121.300 0.037 0.000 2.335 797 W HA -0.219 4.442 4.660 0.001 0.000 0.311 797 W C 2.130 178.673 176.519 0.040 0.000 1.213 797 W CA 2.518 59.907 57.345 0.073 0.000 1.274 797 W CB -0.224 29.309 29.460 0.122 0.000 1.148 797 W HN -0.022 nan 8.180 nan 0.000 0.498 798 T N 0.590 115.392 114.554 0.413 0.000 2.788 798 T HA -0.192 4.160 4.350 0.002 0.000 0.268 798 T C 1.624 176.350 174.700 0.043 0.000 1.044 798 T CA 1.620 63.852 62.100 0.221 0.000 1.139 798 T CB -0.302 68.662 68.868 0.161 0.000 0.867 798 T HN 0.210 nan 8.240 nan 0.000 0.454 799 R N 0.114 120.638 120.500 0.039 0.000 2.235 799 R HA 0.188 4.530 4.340 0.002 0.000 0.213 799 R C 2.290 178.566 176.300 -0.040 0.000 1.059 799 R CA 0.637 56.741 56.100 0.007 0.000 0.997 799 R CB -0.293 30.023 30.300 0.027 0.000 0.884 799 R HN 0.357 nan 8.270 nan 0.000 0.462 800 M N 0.345 119.888 119.600 -0.096 0.000 2.123 800 M HA -0.102 4.379 4.480 0.002 0.000 0.263 800 M C 1.956 178.136 176.300 -0.200 0.000 1.069 800 M CA 1.368 56.568 55.300 -0.167 0.000 1.133 800 M CB 0.130 32.576 32.600 -0.257 0.000 1.356 800 M HN -0.117 nan 8.290 nan 0.000 0.415 801 V N 0.681 120.427 119.914 -0.280 0.000 2.287 801 V HA -0.313 3.808 4.120 0.002 0.000 0.248 801 V C 2.245 178.258 176.094 -0.136 0.000 1.053 801 V CA 2.212 64.349 62.300 -0.273 0.000 1.027 801 V CB -0.715 30.917 31.823 -0.318 0.000 0.646 801 V HN 0.527 nan 8.190 nan 0.000 0.447 802 I N -0.778 119.735 120.570 -0.096 0.000 2.286 802 I HA -0.228 3.944 4.170 0.002 0.000 0.248 802 I C 2.688 178.807 176.117 0.003 0.000 1.115 802 I CA 1.531 62.806 61.300 -0.042 0.000 1.392 802 I CB -0.431 37.569 38.000 0.000 0.000 1.065 802 I HN 0.170 nan 8.210 nan 0.000 0.418 803 R N 0.410 120.902 120.500 -0.014 0.000 2.148 803 R HA -0.048 4.294 4.340 0.002 0.000 0.223 803 R C 1.930 178.239 176.300 0.017 0.000 1.088 803 R CA 0.906 57.011 56.100 0.009 0.000 0.985 803 R CB -0.305 29.993 30.300 -0.003 0.000 0.880 803 R HN 0.506 nan 8.270 nan 0.000 0.451 804 N N 0.581 119.273 118.700 -0.013 0.000 2.250 804 N HA -0.045 4.696 4.740 0.002 0.000 0.181 804 N C 1.909 177.446 175.510 0.046 0.000 1.017 804 N CA 0.869 53.938 53.050 0.031 0.000 0.866 804 N CB 0.113 38.587 38.487 -0.022 0.000 0.985 804 N HN 0.176 nan 8.380 nan 0.000 0.429 805 I N 1.598 122.174 120.570 0.010 0.000 2.163 805 I HA -0.202 3.969 4.170 0.002 0.000 0.240 805 I C 2.570 178.711 176.117 0.041 0.000 1.081 805 I CA 0.780 62.092 61.300 0.020 0.000 1.353 805 I CB -0.473 37.519 38.000 -0.014 0.000 1.054 805 I HN 0.014 nan 8.210 nan 0.000 0.407 806 A N 0.018 122.866 122.820 0.047 0.000 1.958 806 A HA -0.277 4.044 4.320 0.002 0.000 0.221 806 A C 2.336 179.953 177.584 0.056 0.000 1.178 806 A CA 2.700 54.772 52.037 0.057 0.000 0.642 806 A CB -1.155 17.889 19.000 0.074 0.000 0.816 806 A HN 0.416 nan 8.150 nan 0.000 0.453 807 T N -0.284 114.312 114.554 0.070 0.000 3.113 807 T HA 0.033 4.384 4.350 0.002 0.000 0.256 807 T C 1.943 176.727 174.700 0.140 0.000 1.131 807 T CA 0.909 63.061 62.100 0.087 0.000 1.074 807 T CB -0.320 68.603 68.868 0.092 0.000 0.944 807 T HN 0.611 nan 8.240 nan 0.000 0.516 808 S N 1.182 116.981 115.700 0.164 0.000 2.392 808 S HA -0.185 4.286 4.470 0.002 0.000 0.232 808 S C 2.390 177.120 174.600 0.217 0.000 1.041 808 S CA 1.261 59.612 58.200 0.250 0.000 1.026 808 S CB -1.037 62.266 63.200 0.172 0.000 0.845 808 S HN 0.659 nan 8.310 nan 0.000 0.465 809 G N 2.549 111.399 108.800 0.083 0.000 2.679 809 G HA2 -0.395 3.566 3.960 0.002 0.000 0.222 809 G HA3 -0.395 3.566 3.960 0.002 0.000 0.222 809 G C 1.235 176.057 174.900 -0.132 0.000 1.164 809 G CA 1.447 46.550 45.100 0.004 0.000 0.769 809 G HN 0.457 nan 8.290 nan 0.000 0.610 810 K N -0.079 120.109 120.400 -0.353 0.000 2.442 810 K HA -0.073 4.249 4.320 0.002 0.000 0.200 810 K C 1.147 177.178 176.600 -0.948 0.000 1.045 810 K CA 0.747 56.611 56.287 -0.704 0.000 0.937 810 K CB -0.237 31.681 32.500 -0.970 0.000 0.757 810 K HN 0.450 nan 8.250 nan 0.000 0.474 811 F N -0.259 119.703 119.950 0.020 0.000 2.661 811 F HA 0.208 4.736 4.527 0.002 0.000 0.306 811 F C 0.978 176.811 175.800 0.055 0.000 1.094 811 F CA -0.523 57.498 58.000 0.035 0.000 1.254 811 F CB 0.062 39.080 39.000 0.031 0.000 1.040 811 F HN -0.226 nan 8.300 nan 0.000 0.562 812 S N 0.424 116.199 115.700 0.125 0.000 2.563 812 S HA 0.019 4.491 4.470 0.002 0.000 0.284 812 S C 1.604 176.275 174.600 0.119 0.000 1.331 812 S CA 0.330 58.599 58.200 0.114 0.000 1.047 812 S CB 0.656 63.891 63.200 0.058 0.000 0.859 812 S HN 0.393 nan 8.310 nan 0.000 0.514 813 S N 2.833 118.625 115.700 0.153 0.000 2.428 813 S HA -0.068 4.403 4.470 0.002 0.000 0.230 813 S C 1.128 175.747 174.600 0.033 0.000 1.014 813 S CA 0.696 58.994 58.200 0.163 0.000 0.957 813 S CB -0.363 63.012 63.200 0.292 0.000 0.784 813 S HN 0.807 nan 8.310 nan 0.000 0.499 814 D N 1.815 122.233 120.400 0.031 0.000 2.149 814 D HA -0.130 4.511 4.640 0.002 0.000 0.198 814 D C 2.086 178.365 176.300 -0.035 0.000 0.990 814 D CA 0.846 54.844 54.000 -0.005 0.000 0.839 814 D CB -0.302 40.501 40.800 0.005 0.000 0.948 814 D HN 0.313 nan 8.370 nan 0.000 0.460 815 R N 0.946 121.423 120.500 -0.037 0.000 2.061 815 R HA -0.090 4.251 4.340 0.002 0.000 0.230 815 R C 2.040 178.278 176.300 -0.104 0.000 1.140 815 R CA 1.469 57.526 56.100 -0.072 0.000 0.940 815 R CB -0.894 29.357 30.300 -0.082 0.000 0.839 815 R HN 0.079 nan 8.270 nan 0.000 0.429 816 T N 2.447 116.944 114.554 -0.094 0.000 2.635 816 T HA -0.148 4.204 4.350 0.002 0.000 0.267 816 T C 1.933 176.519 174.700 -0.190 0.000 1.040 816 T CA 1.483 63.497 62.100 -0.145 0.000 1.156 816 T CB -0.177 68.660 68.868 -0.051 0.000 0.863 816 T HN 0.109 nan 8.240 nan 0.000 0.430 817 I N 1.615 122.055 120.570 -0.217 0.000 2.208 817 I HA -0.138 4.034 4.170 0.002 0.000 0.245 817 I C 2.875 178.904 176.117 -0.147 0.000 1.097 817 I CA 1.054 62.232 61.300 -0.203 0.000 1.363 817 I CB -1.626 36.267 38.000 -0.178 0.000 1.051 817 I HN 0.202 nan 8.210 nan 0.000 0.413 818 A N -0.046 122.701 122.820 -0.122 0.000 1.908 818 A HA -0.246 4.075 4.320 0.002 0.000 0.218 818 A C 2.202 179.691 177.584 -0.159 0.000 1.181 818 A CA 1.446 53.420 52.037 -0.104 0.000 0.627 818 A CB -0.690 18.260 19.000 -0.084 0.000 0.818 818 A HN 0.508 nan 8.150 nan 0.000 0.445 819 Q N -2.122 117.547 119.800 -0.219 0.000 2.291 819 Q HA -0.165 4.177 4.340 0.002 0.000 0.205 819 Q C 1.664 177.409 176.000 -0.426 0.000 0.970 819 Q CA 1.298 56.926 55.803 -0.291 0.000 0.876 819 Q CB -0.182 28.362 28.738 -0.323 0.000 0.935 819 Q HN 0.853 nan 8.270 nan 0.000 0.455 820 Y N -0.181 119.804 120.300 -0.525 0.000 2.176 820 Y HA -0.096 4.456 4.550 0.002 0.000 0.291 820 Y C 2.401 177.835 175.900 -0.776 0.000 1.122 820 Y CA 1.004 58.544 58.100 -0.932 0.000 1.128 820 Y CB -0.503 36.934 38.460 -1.705 0.000 1.005 820 Y HN 0.084 nan 8.280 nan 0.000 0.509 821 A N 0.485 123.140 122.820 -0.275 0.000 1.917 821 A HA -0.253 4.068 4.320 0.002 0.000 0.219 821 A C 2.185 179.778 177.584 0.015 0.000 1.182 821 A CA 2.296 54.360 52.037 0.046 0.000 0.633 821 A CB -0.520 18.527 19.000 0.080 0.000 0.819 821 A HN 0.473 nan 8.150 nan 0.000 0.448 822 R N -0.923 119.539 120.500 -0.064 0.000 2.090 822 R HA 0.058 4.399 4.340 0.002 0.000 0.219 822 R C 1.628 177.898 176.300 -0.050 0.000 1.100 822 R CA 1.252 57.326 56.100 -0.044 0.000 0.991 822 R CB -0.164 30.102 30.300 -0.057 0.000 0.893 822 R HN 0.594 nan 8.270 nan 0.000 0.443 823 E N -0.101 120.039 120.200 -0.101 0.000 2.474 823 E HA 0.146 4.497 4.350 0.002 0.000 0.195 823 E C 1.185 177.764 176.600 -0.035 0.000 1.039 823 E CA 0.319 56.676 56.400 -0.073 0.000 0.881 823 E CB 0.582 30.216 29.700 -0.109 0.000 0.970 823 E HN 0.326 nan 8.360 nan 0.000 0.486 824 I N -1.399 119.146 120.570 -0.043 0.000 3.685 824 I HA 0.025 4.197 4.170 0.002 0.000 0.258 824 I C 1.106 177.430 176.117 0.345 0.000 1.135 824 I CA -0.078 61.284 61.300 0.103 0.000 1.436 824 I CB -0.021 37.962 38.000 -0.029 0.000 1.670 824 I HN 0.134 nan 8.210 nan 0.000 0.424 825 W N 2.202 123.615 121.300 0.189 0.000 2.595 825 W HA 0.242 4.903 4.660 0.003 0.000 0.257 825 W C 1.419 177.978 176.519 0.067 0.000 1.267 825 W CA 0.793 58.222 57.345 0.139 0.000 1.300 825 W CB -1.319 28.202 29.460 0.102 0.000 1.120 825 W HN 0.389 nan 8.180 nan 0.000 0.618 826 G N 1.273 110.203 108.800 0.216 0.000 2.350 826 G HA2 -0.067 3.895 3.960 0.002 0.000 0.298 826 G HA3 -0.067 3.895 3.960 0.002 0.000 0.298 826 G C -0.241 174.719 174.900 0.099 0.000 1.037 826 G CA 0.352 45.518 45.100 0.110 0.000 1.074 826 G HN 0.416 nan 8.290 nan 0.000 0.511 827 V N -4.392 115.588 119.914 0.111 0.000 3.160 827 V HA 0.937 5.058 4.120 0.002 0.000 0.310 827 V C -0.419 175.706 176.094 0.052 0.000 1.181 827 V CA -1.606 60.735 62.300 0.069 0.000 1.047 827 V CB 2.359 34.225 31.823 0.072 0.000 1.068 827 V HN 0.183 nan 8.190 nan 0.000 0.441 828 E N 1.676 121.892 120.200 0.028 0.000 2.158 828 E HA 0.547 4.898 4.350 0.002 0.000 0.271 828 E C -2.685 173.926 176.600 0.018 0.000 0.911 828 E CA -1.721 54.690 56.400 0.019 0.000 0.767 828 E CB 2.058 31.763 29.700 0.009 0.000 1.120 828 E HN 0.658 nan 8.360 nan 0.000 0.405 829 P HA -0.008 nan 4.420 nan 0.000 0.269 829 P C -0.747 176.560 177.300 0.013 0.000 1.211 829 P CA 0.154 63.264 63.100 0.017 0.000 0.781 829 P CB 0.549 32.253 31.700 0.007 0.000 0.877 830 S N 0.760 116.470 115.700 0.016 0.000 2.605 830 S HA 0.306 4.777 4.470 0.002 0.000 0.279 830 S C -0.219 174.391 174.600 0.017 0.000 1.166 830 S CA -0.747 57.461 58.200 0.014 0.000 0.975 830 S CB 0.558 63.768 63.200 0.016 0.000 1.111 830 S HN 0.284 nan 8.310 nan 0.000 0.465 831 R N 2.258 122.767 120.500 0.015 0.000 2.555 831 R HA 0.153 4.494 4.340 0.002 0.000 0.272 831 R C 0.672 176.979 176.300 0.012 0.000 1.089 831 R CA -0.159 55.953 56.100 0.020 0.000 1.126 831 R CB 0.189 30.502 30.300 0.022 0.000 1.250 831 R HN 0.719 nan 8.270 nan 0.000 0.551 832 Q N 0.572 120.377 119.800 0.007 0.000 2.299 832 Q HA 0.213 4.555 4.340 0.002 0.000 0.246 832 Q C -0.693 175.301 176.000 -0.011 0.000 0.935 832 Q CA -0.683 55.119 55.803 -0.001 0.000 0.887 832 Q CB 0.951 29.689 28.738 -0.000 0.000 1.223 832 Q HN -0.158 nan 8.270 nan 0.000 0.439 833 R N 1.929 122.416 120.500 -0.021 0.000 2.438 833 R HA 0.300 4.641 4.340 0.002 0.000 0.287 833 R C -0.708 175.562 176.300 -0.051 0.000 1.077 833 R CA -0.435 55.644 56.100 -0.036 0.000 1.034 833 R CB 0.114 30.391 30.300 -0.038 0.000 0.993 833 R HN 0.678 nan 8.270 nan 0.000 0.459 834 L N 5.556 126.737 121.223 -0.070 0.000 2.418 834 L HA 0.338 4.680 4.340 0.002 0.000 0.265 834 L C -1.329 175.479 176.870 -0.103 0.000 1.143 834 L CA -1.519 53.246 54.840 -0.125 0.000 0.809 834 L CB 0.652 42.613 42.059 -0.163 0.000 1.124 834 L HN 0.565 nan 8.230 nan 0.000 0.456 835 P HA -0.065 nan 4.420 nan 0.000 0.207 835 P C 0.001 177.269 177.300 -0.053 0.000 0.993 835 P CA 1.217 64.277 63.100 -0.067 0.000 0.885 835 P CB -0.255 31.411 31.700 -0.056 0.000 0.600 836 A N -1.874 120.921 122.820 -0.043 0.000 6.359 836 A HA -0.125 4.196 4.320 0.002 0.000 0.256 836 A C -1.669 175.908 177.584 -0.012 0.000 2.122 836 A CA 0.584 52.605 52.037 -0.027 0.000 0.707 836 A CB -3.283 15.698 19.000 -0.032 0.000 1.048 836 A HN 0.523 nan 8.150 nan 0.000 0.373 837 P HA 0.000 nan 4.420 nan 0.000 0.216 837 P CA 0.000 63.110 63.100 0.016 0.000 0.800 837 P CB 0.000 31.722 31.700 0.036 0.000 0.726