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 1ivo_1_B DATA FIRST_RESID 3 DATA SEQUENCE EKKVcQGTSN KLTQLGTFED HFLSLQRMFN NcEVVLGNLE ITYVQRNYDL DATA SEQUENCE SFLKTIQEVA GYVLIALNTV ERIPLENLQI IRGNMYYENS YALAVLSNYD DATA SEQUENCE ANKTGLKELP MRNLQEILHG AVRFSNNPAL cNVESIQWRD IVSSDFLSNM DATA SEQUENCE SMDFQNHLGS cQKcDPScPN GScWGAGEEN cQKLTKIIcA QQcSGRcRGK DATA SEQUENCE SPSDccHNQc AAGcTGPRES DcLVcRKFRD EATcKDTcPP LMLYNPTTYQ DATA SEQUENCE MDVNPEGKYS FGATcVKKcP RNYVVTDHGS cVRAcGADSY EMEEDGVRKc DATA SEQUENCE KKcEGPcRKV cNGIGIGEFK DSLSINATNI KHFKNcTSIS GDLHILPVAF DATA SEQUENCE RGDSFTHTPP LDPQELDILK TVKEITGFLL IQAWPENRTD LHAFENLEII DATA SEQUENCE RGRTKQHGQF SLAVVSLNIT SLGLRSLKEI SDGDVIISGN KNLcYANTIN DATA SEQUENCE WKKLFGTSGQ KTKIISNRGE NScKATGQVc HALcSPEGcW GPEPRDcVSc DATA SEQUENCE RNVSRGREcV 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 3 E HA 0.000 nan 4.350 nan 0.000 0.291 3 E C 0.000 176.592 176.600 -0.014 0.000 1.382 3 E CA 0.000 56.393 56.400 -0.011 0.000 0.976 3 E CB 0.000 29.692 29.700 -0.014 0.000 0.812 4 K N 2.758 123.151 120.400 -0.012 0.000 2.401 4 K HA 0.200 4.520 4.320 0.001 0.000 0.278 4 K C -0.588 175.999 176.600 -0.021 0.000 1.018 4 K CA -0.233 56.046 56.287 -0.014 0.000 0.981 4 K CB 0.585 33.078 32.500 -0.011 0.000 0.933 4 K HN 0.505 nan 8.250 nan 0.000 0.477 5 K N 1.746 122.132 120.400 -0.023 0.000 2.379 5 K HA 0.121 4.441 4.320 0.001 0.000 0.284 5 K C 0.063 176.638 176.600 -0.041 0.000 1.044 5 K CA -0.469 55.797 56.287 -0.035 0.000 0.974 5 K CB 0.724 33.202 32.500 -0.035 0.000 0.962 5 K HN 0.601 nan 8.250 nan 0.000 0.474 6 V N 0.250 120.131 119.914 -0.055 0.000 2.680 6 V HA 0.641 4.761 4.120 0.001 0.000 0.309 6 V C -0.167 175.866 176.094 -0.102 0.000 1.052 6 V CA -1.146 61.115 62.300 -0.065 0.000 0.908 6 V CB 1.105 32.896 31.823 -0.053 0.000 1.001 6 V HN 1.001 nan 8.190 nan 0.000 0.431 7 c N 2.291 120.811 118.600 -0.133 0.000 2.707 7 c HA 0.705 5.275 4.570 0.001 0.000 0.313 7 c C 1.153 175.117 174.090 -0.211 0.000 1.209 7 c CA -0.399 55.803 56.329 -0.211 0.000 1.635 7 c CB 1.556 43.870 42.510 -0.328 0.000 2.206 7 c HN 0.948 nan 8.230 nan 0.000 0.485 8 Q N 1.633 121.299 119.800 -0.223 0.000 2.020 8 Q HA 0.323 4.664 4.340 0.001 0.000 0.202 8 Q C 1.156 177.035 176.000 -0.201 0.000 0.982 8 Q CA 2.461 58.159 55.803 -0.175 0.000 0.838 8 Q CB -0.736 27.913 28.738 -0.148 0.000 0.899 8 Q HN 2.221 nan 8.270 nan 0.000 0.423 9 G N 0.594 109.191 108.800 -0.338 0.000 3.409 9 G HA2 -0.159 3.801 3.960 0.001 0.000 0.686 9 G HA3 -0.159 3.801 3.960 0.001 0.000 0.686 9 G C -0.137 174.672 174.900 -0.152 0.000 1.017 9 G CA -0.036 44.881 45.100 -0.304 0.000 0.854 9 G HN 0.615 nan 8.290 nan 0.000 0.508 10 T N -0.196 114.303 114.554 -0.090 0.000 2.946 10 T HA 0.476 4.827 4.350 0.001 0.000 0.312 10 T C 0.878 175.566 174.700 -0.020 0.000 1.066 10 T CA 0.649 62.725 62.100 -0.040 0.000 1.138 10 T CB 1.193 70.076 68.868 0.025 0.000 1.014 10 T HN 1.416 nan 8.240 nan 0.000 0.544 11 S N 2.515 118.203 115.700 -0.020 0.000 2.526 11 S HA 0.258 4.728 4.470 0.001 0.000 0.220 11 S C 0.475 175.109 174.600 0.057 0.000 1.159 11 S CA -0.928 57.281 58.200 0.015 0.000 1.196 11 S CB -0.583 62.625 63.200 0.014 0.000 1.225 11 S HN 0.945 nan 8.310 nan 0.000 0.432 12 N N 1.126 119.854 118.700 0.047 0.000 2.497 12 N HA 0.066 4.807 4.740 0.001 0.000 0.284 12 N C -0.133 175.420 175.510 0.072 0.000 1.459 12 N CA -0.824 52.255 53.050 0.050 0.000 0.899 12 N CB 0.406 38.893 38.487 0.000 0.000 1.316 12 N HN 0.235 nan 8.380 nan 0.000 0.500 13 K N 0.823 121.303 120.400 0.134 0.000 2.563 13 K HA -0.207 4.113 4.320 0.001 0.000 0.266 13 K C 0.752 177.410 176.600 0.096 0.000 1.009 13 K CA 0.362 56.739 56.287 0.151 0.000 1.093 13 K CB 0.540 33.230 32.500 0.317 0.000 0.781 13 K HN 0.333 nan 8.250 nan 0.000 0.466 14 L N -1.046 120.192 121.223 0.025 0.000 5.203 14 L HA -0.311 4.030 4.340 0.001 0.000 0.456 14 L C 0.721 177.650 176.870 0.099 0.000 1.035 14 L CA 2.306 57.151 54.840 0.009 0.000 0.921 14 L CB -1.515 40.598 42.059 0.090 0.000 1.619 14 L HN 0.948 nan 8.230 nan 0.000 0.823 15 T N -0.665 113.950 114.554 0.102 0.000 2.860 15 T HA 0.295 4.645 4.350 0.001 0.000 0.299 15 T C 0.133 174.995 174.700 0.269 0.000 1.045 15 T CA -0.170 62.017 62.100 0.146 0.000 1.071 15 T CB 1.360 70.269 68.868 0.068 0.000 0.985 15 T HN 0.240 nan 8.240 nan 0.000 0.537 16 Q N 1.976 121.956 119.800 0.300 0.000 2.331 16 Q HA 0.410 4.750 4.340 0.001 0.000 0.267 16 Q C -1.164 174.943 176.000 0.179 0.000 1.006 16 Q CA -0.695 55.366 55.803 0.431 0.000 0.818 16 Q CB 0.675 29.538 28.738 0.208 0.000 1.276 16 Q HN 0.580 nan 8.270 nan 0.000 0.450 17 L N 5.202 126.478 121.223 0.088 0.000 2.375 17 L HA 0.433 4.773 4.340 0.001 0.000 0.276 17 L C 0.932 177.825 176.870 0.039 0.000 1.162 17 L CA 0.153 54.972 54.840 -0.035 0.000 0.991 17 L CB -0.933 41.010 42.059 -0.193 0.000 1.315 17 L HN 1.071 nan 8.230 nan 0.000 0.431 18 G N 2.486 111.308 108.800 0.038 0.000 2.509 18 G HA2 -0.300 3.661 3.960 0.001 0.000 0.259 18 G HA3 -0.300 3.661 3.960 0.001 0.000 0.259 18 G C 0.121 175.058 174.900 0.062 0.000 1.169 18 G CA -0.044 45.084 45.100 0.046 0.000 0.953 18 G HN 0.694 nan 8.290 nan 0.000 0.563 19 T N -1.451 113.170 114.554 0.111 0.000 2.904 19 T HA 0.555 4.905 4.350 0.001 0.000 0.290 19 T C 1.373 176.217 174.700 0.241 0.000 1.018 19 T CA 0.628 62.844 62.100 0.193 0.000 1.075 19 T CB 0.773 69.764 68.868 0.205 0.000 0.986 19 T HN 0.758 nan 8.240 nan 0.000 0.523 20 F N 0.261 120.262 119.950 0.084 0.000 2.225 20 F HA -0.054 4.473 4.527 0.001 0.000 0.302 20 F C 2.440 178.316 175.800 0.126 0.000 1.068 20 F CA 1.760 59.819 58.000 0.097 0.000 1.327 20 F CB -0.647 38.410 39.000 0.096 0.000 1.043 20 F HN 0.825 nan 8.300 nan 0.000 0.506 21 E N 0.251 120.637 120.200 0.310 0.000 2.030 21 E HA -0.143 4.207 4.350 0.001 0.000 0.189 21 E C 1.808 178.515 176.600 0.179 0.000 0.974 21 E CA 1.022 57.522 56.400 0.166 0.000 0.807 21 E CB -0.030 29.777 29.700 0.180 0.000 0.771 21 E HN 0.173 nan 8.360 nan 0.000 0.451 22 D N 0.426 120.927 120.400 0.168 0.000 2.133 22 D HA -0.254 4.386 4.640 0.001 0.000 0.192 22 D C 1.867 178.252 176.300 0.143 0.000 1.001 22 D CA 1.362 55.438 54.000 0.126 0.000 0.844 22 D CB -0.736 40.123 40.800 0.098 0.000 0.944 22 D HN 0.308 nan 8.370 nan 0.000 0.447 23 H N -0.445 118.665 119.070 0.067 0.000 2.422 23 H HA -0.145 4.412 4.556 0.001 0.000 0.298 23 H C 1.962 177.323 175.328 0.054 0.000 1.098 23 H CA 1.048 57.127 56.048 0.052 0.000 1.315 23 H CB -0.510 29.290 29.762 0.063 0.000 1.382 23 H HN 0.194 nan 8.280 nan 0.000 0.523 24 F N 0.819 120.852 119.950 0.137 0.000 2.037 24 F HA -0.160 4.368 4.527 0.001 0.000 0.291 24 F C 2.393 178.211 175.800 0.030 0.000 1.137 24 F CA 0.781 58.788 58.000 0.011 0.000 1.178 24 F CB -0.704 38.081 39.000 -0.358 0.000 0.995 24 F HN 0.013 nan 8.300 nan 0.000 0.472 25 L N 0.251 121.562 121.223 0.146 0.000 2.054 25 L HA -0.358 3.983 4.340 0.001 0.000 0.220 25 L C 2.713 179.515 176.870 -0.114 0.000 1.081 25 L CA 2.304 57.166 54.840 0.036 0.000 0.780 25 L CB -2.123 39.989 42.059 0.088 0.000 0.893 25 L HN 0.427 nan 8.230 nan 0.000 0.438 26 S N -0.214 115.435 115.700 -0.086 0.000 2.363 26 S HA -0.226 4.245 4.470 0.001 0.000 0.218 26 S C 2.043 176.552 174.600 -0.153 0.000 1.035 26 S CA 1.611 59.734 58.200 -0.128 0.000 1.043 26 S CB -0.502 62.615 63.200 -0.139 0.000 0.986 26 S HN 0.331 nan 8.310 nan 0.000 0.423 27 L N 1.708 122.863 121.223 -0.113 0.000 2.302 27 L HA -0.202 4.138 4.340 0.001 0.000 0.218 27 L C 2.453 179.273 176.870 -0.083 0.000 1.100 27 L CA 2.413 57.252 54.840 -0.002 0.000 0.774 27 L CB -0.598 41.463 42.059 0.003 0.000 0.896 27 L HN 0.571 nan 8.230 nan 0.000 0.439 28 Q N -1.035 118.537 119.800 -0.379 0.000 2.134 28 Q HA -0.116 4.224 4.340 0.001 0.000 0.195 28 Q C 2.276 177.919 176.000 -0.596 0.000 0.958 28 Q CA 0.698 56.049 55.803 -0.754 0.000 0.840 28 Q CB -0.016 28.399 28.738 -0.537 0.000 0.918 28 Q HN 0.519 nan 8.270 nan 0.000 0.467 29 R N 0.024 120.322 120.500 -0.336 0.000 2.120 29 R HA -0.156 4.184 4.340 0.001 0.000 0.234 29 R C 2.243 178.375 176.300 -0.280 0.000 1.123 29 R CA 1.584 57.529 56.100 -0.258 0.000 0.975 29 R CB -0.299 29.895 30.300 -0.176 0.000 0.866 29 R HN 0.337 nan 8.270 nan 0.000 0.446 30 M N -0.153 119.270 119.600 -0.295 0.000 2.134 30 M HA -0.020 4.461 4.480 0.001 0.000 0.262 30 M C 0.969 176.954 176.300 -0.526 0.000 1.076 30 M CA 1.781 56.829 55.300 -0.419 0.000 1.143 30 M CB 0.099 32.404 32.600 -0.492 0.000 1.346 30 M HN -0.046 nan 8.290 nan 0.000 0.421 31 F N 0.227 119.986 119.950 -0.319 0.000 2.732 31 F HA 0.273 4.800 4.527 0.001 0.000 0.303 31 F C 0.601 176.182 175.800 -0.365 0.000 1.110 31 F CA -0.429 57.415 58.000 -0.260 0.000 1.355 31 F CB -0.978 37.971 39.000 -0.086 0.000 1.081 31 F HN 0.166 nan 8.300 nan 0.000 0.565 32 N N 2.167 120.623 118.700 -0.406 0.000 2.416 32 N HA -0.080 4.661 4.740 0.001 0.000 0.271 32 N C 0.406 175.827 175.510 -0.148 0.000 1.245 32 N CA 0.732 53.561 53.050 -0.369 0.000 0.940 32 N CB -0.206 38.063 38.487 -0.364 0.000 1.175 32 N HN 0.304 nan 8.380 nan 0.000 0.483 33 N N 0.378 119.051 118.700 -0.045 0.000 2.955 33 N HA -0.209 4.531 4.740 0.001 0.000 0.199 33 N C 0.097 175.603 175.510 -0.007 0.000 0.939 33 N CA 0.338 53.379 53.050 -0.015 0.000 1.028 33 N CB -1.641 36.821 38.487 -0.043 0.000 1.000 33 N HN 0.500 nan 8.380 nan 0.000 0.577 34 c N 1.780 120.378 118.600 -0.004 0.000 2.702 34 c HA 0.049 4.619 4.570 0.001 0.000 0.411 34 c C 1.862 175.973 174.090 0.035 0.000 1.286 34 c CA 0.805 57.136 56.329 0.002 0.000 1.979 34 c CB 0.115 42.637 42.510 0.019 0.000 2.728 34 c HN 0.393 nan 8.230 nan 0.000 0.652 35 E N 0.844 121.053 120.200 0.015 0.000 2.467 35 E HA 0.202 4.552 4.350 0.001 0.000 0.213 35 E C -0.865 175.743 176.600 0.014 0.000 0.823 35 E CA 0.230 56.640 56.400 0.016 0.000 1.233 35 E CB 0.935 30.636 29.700 0.002 0.000 1.233 35 E HN 0.489 nan 8.360 nan 0.000 0.585 36 V N 2.364 122.280 119.914 0.003 0.000 2.524 36 V HA 0.218 4.339 4.120 0.001 0.000 0.297 36 V C -0.540 175.549 176.094 -0.009 0.000 1.035 36 V CA -0.782 61.517 62.300 -0.002 0.000 0.867 36 V CB 1.963 33.778 31.823 -0.014 0.000 1.004 36 V HN -0.086 nan 8.190 nan 0.000 0.426 37 V N 6.565 126.487 119.914 0.013 0.000 2.339 37 V HA 0.228 4.348 4.120 0.001 0.000 0.261 37 V C 1.330 177.410 176.094 -0.024 0.000 1.058 37 V CA -0.145 62.158 62.300 0.005 0.000 0.897 37 V CB 0.679 32.560 31.823 0.097 0.000 1.052 37 V HN 0.779 nan 8.190 nan 0.000 0.480 38 L N 3.360 124.552 121.223 -0.052 0.000 2.079 38 L HA -0.028 4.312 4.340 0.001 0.000 0.210 38 L C 2.053 178.895 176.870 -0.046 0.000 1.081 38 L CA 1.880 56.690 54.840 -0.049 0.000 0.752 38 L CB -0.502 41.523 42.059 -0.058 0.000 0.896 38 L HN 0.766 nan 8.230 nan 0.000 0.433 39 G N -0.938 107.825 108.800 -0.061 0.000 3.226 39 G HA2 0.143 4.103 3.960 0.001 0.000 0.190 39 G HA3 0.143 4.103 3.960 0.001 0.000 0.190 39 G C -0.239 174.601 174.900 -0.100 0.000 1.988 39 G CA -0.380 44.680 45.100 -0.067 0.000 0.859 39 G HN 0.231 nan 8.290 nan 0.000 0.631 40 N N -0.989 117.632 118.700 -0.132 0.000 2.335 40 N HA 0.527 5.268 4.740 0.001 0.000 0.304 40 N C -1.722 173.766 175.510 -0.037 0.000 1.135 40 N CA -0.637 52.267 53.050 -0.243 0.000 0.817 40 N CB 2.629 40.822 38.487 -0.491 0.000 1.294 40 N HN 0.233 nan 8.380 nan 0.000 0.497 41 L N 1.565 122.737 121.223 -0.086 0.000 2.301 41 L HA 0.403 4.743 4.340 0.001 0.000 0.278 41 L C -1.182 175.607 176.870 -0.135 0.000 1.022 41 L CA -0.153 54.675 54.840 -0.019 0.000 0.854 41 L CB 0.573 42.588 42.059 -0.073 0.000 1.226 41 L HN 0.521 nan 8.230 nan 0.000 0.429 42 E N 6.315 126.451 120.200 -0.107 0.000 2.182 42 E HA 0.446 4.797 4.350 0.001 0.000 0.258 42 E C -1.046 175.457 176.600 -0.161 0.000 0.879 42 E CA -0.263 56.069 56.400 -0.113 0.000 0.754 42 E CB 1.870 31.548 29.700 -0.036 0.000 1.162 42 E HN 0.538 nan 8.360 nan 0.000 0.419 43 I N 3.285 123.738 120.570 -0.195 0.000 2.359 43 I HA 0.280 4.451 4.170 0.001 0.000 0.284 43 I C -0.321 175.685 176.117 -0.185 0.000 1.018 43 I CA -0.415 60.780 61.300 -0.175 0.000 1.173 43 I CB 1.094 38.977 38.000 -0.195 0.000 1.326 43 I HN 0.421 nan 8.210 nan 0.000 0.462 44 T N 0.660 115.098 114.554 -0.194 0.000 2.933 44 T HA 0.484 4.835 4.350 0.001 0.000 0.305 44 T C -0.184 174.204 174.700 -0.520 0.000 1.092 44 T CA -0.646 61.197 62.100 -0.428 0.000 1.008 44 T CB 1.025 69.470 68.868 -0.705 0.000 1.102 44 T HN 0.633 nan 8.240 nan 0.000 0.469 45 Y N -0.915 119.243 120.300 -0.236 0.000 4.032 45 Y HA -0.200 4.351 4.550 0.001 0.000 0.230 45 Y C 0.024 175.839 175.900 -0.140 0.000 1.202 45 Y CA -0.371 57.552 58.100 -0.294 0.000 1.878 45 Y CB -2.259 35.798 38.460 -0.672 0.000 1.586 45 Y HN 0.649 nan 8.280 nan 0.000 0.673 46 V N 1.678 121.662 119.914 0.116 0.000 2.407 46 V HA 0.219 4.340 4.120 0.001 0.000 0.278 46 V C 0.529 176.788 176.094 0.274 0.000 1.037 46 V CA -1.030 61.414 62.300 0.239 0.000 0.900 46 V CB 1.464 33.421 31.823 0.224 0.000 0.983 46 V HN 0.112 nan 8.190 nan 0.000 0.459 47 Q N 2.551 122.594 119.800 0.404 0.000 2.407 47 Q HA 0.254 4.594 4.340 0.001 0.000 0.214 47 Q C 1.317 177.348 176.000 0.052 0.000 1.043 47 Q CA -0.487 55.446 55.803 0.216 0.000 0.983 47 Q CB 0.647 29.475 28.738 0.149 0.000 1.211 47 Q HN 0.622 nan 8.270 nan 0.000 0.564 48 R N 0.907 121.384 120.500 -0.037 0.000 2.140 48 R HA -0.176 4.165 4.340 0.001 0.000 0.250 48 R C 0.657 176.886 176.300 -0.118 0.000 1.150 48 R CA 2.017 58.075 56.100 -0.070 0.000 0.966 48 R CB 0.065 30.316 30.300 -0.081 0.000 0.869 48 R HN 0.522 nan 8.270 nan 0.000 0.445 49 N N -1.259 117.292 118.700 -0.248 0.000 2.235 49 N HA 0.030 4.771 4.740 0.001 0.000 0.231 49 N C -0.875 174.442 175.510 -0.322 0.000 1.177 49 N CA -0.051 52.843 53.050 -0.259 0.000 0.874 49 N CB 0.519 38.845 38.487 -0.268 0.000 1.097 49 N HN 0.180 nan 8.380 nan 0.000 0.518 50 Y N 0.934 121.135 120.300 -0.165 0.000 2.299 50 Y HA 0.064 4.614 4.550 0.001 0.000 0.335 50 Y C 0.745 176.543 175.900 -0.169 0.000 1.287 50 Y CA -0.468 57.447 58.100 -0.309 0.000 1.424 50 Y CB 0.762 38.909 38.460 -0.521 0.000 1.326 50 Y HN -0.078 nan 8.280 nan 0.000 0.567 51 D N 1.884 122.332 120.400 0.081 0.000 2.454 51 D HA 0.242 4.883 4.640 0.001 0.000 0.225 51 D C -0.828 175.556 176.300 0.140 0.000 1.081 51 D CA -0.146 53.923 54.000 0.114 0.000 0.864 51 D CB 0.281 41.154 40.800 0.122 0.000 1.040 51 D HN 0.431 nan 8.370 nan 0.000 0.517 52 L N 3.361 124.548 121.223 -0.060 0.000 2.978 52 L HA 0.149 4.490 4.340 0.001 0.000 0.239 52 L C 1.797 178.379 176.870 -0.480 0.000 1.293 52 L CA -0.217 54.354 54.840 -0.449 0.000 1.085 52 L CB -0.124 41.771 42.059 -0.273 0.000 1.432 52 L HN 0.410 nan 8.230 nan 0.000 0.512 53 S N 0.152 115.683 115.700 -0.282 0.000 2.428 53 S HA -0.197 4.274 4.470 0.001 0.000 0.230 53 S C 1.809 176.360 174.600 -0.082 0.000 1.014 53 S CA 0.614 58.738 58.200 -0.126 0.000 0.957 53 S CB -0.482 62.713 63.200 -0.009 0.000 0.784 53 S HN 0.561 nan 8.310 nan 0.000 0.499 54 F N 1.842 121.819 119.950 0.045 0.000 2.494 54 F HA 0.298 4.825 4.527 0.001 0.000 0.298 54 F C 1.423 177.228 175.800 0.007 0.000 1.106 54 F CA -0.147 57.868 58.000 0.026 0.000 1.452 54 F CB -0.988 38.028 39.000 0.027 0.000 1.085 54 F HN 0.137 nan 8.300 nan 0.000 0.569 55 L N 0.239 121.484 121.223 0.036 0.000 2.610 55 L HA 0.035 4.375 4.340 0.001 0.000 0.232 55 L C 2.014 178.896 176.870 0.019 0.000 1.149 55 L CA 0.516 55.389 54.840 0.054 0.000 0.872 55 L CB -0.668 41.303 42.059 -0.147 0.000 0.992 55 L HN 0.174 nan 8.230 nan 0.000 0.447 56 K N -0.052 120.362 120.400 0.025 0.000 2.439 56 K HA -0.059 4.262 4.320 0.001 0.000 0.197 56 K C 1.764 178.377 176.600 0.022 0.000 1.041 56 K CA 1.404 57.695 56.287 0.006 0.000 0.970 56 K CB 0.090 32.594 32.500 0.007 0.000 0.773 56 K HN 0.404 nan 8.250 nan 0.000 0.479 57 T N -1.132 113.457 114.554 0.057 0.000 3.044 57 T HA 0.196 4.546 4.350 0.001 0.000 0.250 57 T C 0.887 175.612 174.700 0.042 0.000 1.081 57 T CA -0.231 61.897 62.100 0.047 0.000 1.040 57 T CB -0.005 68.899 68.868 0.060 0.000 0.962 57 T HN -0.025 nan 8.240 nan 0.000 0.506 58 I N 2.774 123.376 120.570 0.054 0.000 2.664 58 I HA 0.016 4.186 4.170 0.001 0.000 0.284 58 I C 1.379 177.502 176.117 0.010 0.000 1.154 58 I CA 0.298 61.627 61.300 0.049 0.000 1.402 58 I CB 0.735 38.769 38.000 0.056 0.000 1.395 58 I HN 0.272 nan 8.210 nan 0.000 0.545 59 Q N 5.565 125.370 119.800 0.008 0.000 2.391 59 Q HA 0.079 4.419 4.340 0.001 0.000 0.211 59 Q C -0.408 175.586 176.000 -0.011 0.000 0.908 59 Q CA 0.449 56.247 55.803 -0.009 0.000 0.920 59 Q CB 0.603 29.337 28.738 -0.007 0.000 1.056 59 Q HN 0.750 nan 8.270 nan 0.000 0.523 60 E N -1.230 118.970 120.200 0.001 0.000 2.400 60 E HA 0.438 4.788 4.350 0.001 0.000 0.285 60 E C -1.421 175.186 176.600 0.013 0.000 1.005 60 E CA -0.633 55.768 56.400 0.002 0.000 0.816 60 E CB 1.467 31.166 29.700 -0.000 0.000 1.220 60 E HN -0.207 nan 8.360 nan 0.000 0.426 61 V N 1.915 121.839 119.914 0.015 0.000 2.448 61 V HA 0.521 4.641 4.120 0.001 0.000 0.295 61 V C 0.901 177.006 176.094 0.018 0.000 1.025 61 V CA 0.097 62.407 62.300 0.018 0.000 0.859 61 V CB 1.174 33.005 31.823 0.014 0.000 0.988 61 V HN 1.008 nan 8.190 nan 0.000 0.431 62 A N 4.230 127.054 122.820 0.008 0.000 1.841 62 A HA 0.132 4.452 4.320 0.001 0.000 0.214 62 A C 1.847 179.459 177.584 0.046 0.000 1.195 62 A CA 1.734 53.782 52.037 0.018 0.000 0.611 62 A CB -0.933 18.065 19.000 -0.003 0.000 0.835 62 A HN 0.976 nan 8.150 nan 0.000 0.443 63 G N -1.086 107.720 108.800 0.010 0.000 2.830 63 G HA2 0.343 4.303 3.960 0.001 0.000 0.172 63 G HA3 0.343 4.303 3.960 0.001 0.000 0.172 63 G C 0.293 175.256 174.900 0.106 0.000 1.782 63 G CA 0.767 45.893 45.100 0.042 0.000 0.900 63 G HN 0.853 nan 8.290 nan 0.000 0.389 64 Y N -2.601 117.757 120.300 0.097 0.000 2.570 64 Y HA 0.734 5.285 4.550 0.001 0.000 0.345 64 Y C -0.919 174.996 175.900 0.025 0.000 1.014 64 Y CA -1.847 56.295 58.100 0.071 0.000 1.063 64 Y CB 1.596 40.121 38.460 0.108 0.000 1.272 64 Y HN 0.212 nan 8.280 nan 0.000 0.477 65 V N 3.885 123.921 119.914 0.203 0.000 2.334 65 V HA 0.377 4.498 4.120 0.001 0.000 0.281 65 V C -0.946 175.185 176.094 0.061 0.000 1.016 65 V CA -0.522 61.816 62.300 0.064 0.000 0.832 65 V CB 1.030 32.860 31.823 0.012 0.000 0.999 65 V HN 0.734 nan 8.190 nan 0.000 0.439 66 L N 7.724 128.955 121.223 0.013 0.000 2.313 66 L HA 0.703 5.044 4.340 0.001 0.000 0.283 66 L C -0.709 176.019 176.870 -0.237 0.000 1.013 66 L CA 0.210 54.935 54.840 -0.193 0.000 0.816 66 L CB 1.293 43.206 42.059 -0.244 0.000 1.236 66 L HN 0.561 nan 8.230 nan 0.000 0.419 67 I N 5.927 126.321 120.570 -0.293 0.000 2.493 67 I HA 0.749 4.920 4.170 0.001 0.000 0.279 67 I C -0.501 175.444 176.117 -0.287 0.000 1.045 67 I CA -0.324 60.824 61.300 -0.254 0.000 1.106 67 I CB 1.442 39.316 38.000 -0.209 0.000 1.216 67 I HN 0.790 nan 8.210 nan 0.000 0.459 68 A N 5.052 127.701 122.820 -0.285 0.000 2.572 68 A HA 0.802 5.123 4.320 0.001 0.000 0.295 68 A C -0.365 177.071 177.584 -0.247 0.000 1.072 68 A CA -0.505 51.368 52.037 -0.272 0.000 0.691 68 A CB 1.339 20.164 19.000 -0.292 0.000 1.291 68 A HN 0.536 nan 8.150 nan 0.000 0.404 69 L N 0.304 121.418 121.223 -0.181 0.000 3.608 69 L HA -0.169 4.172 4.340 0.001 0.000 0.422 69 L C -0.242 176.645 176.870 0.028 0.000 1.260 69 L CA 0.544 55.350 54.840 -0.057 0.000 0.889 69 L CB -2.389 39.749 42.059 0.132 0.000 1.821 69 L HN 0.745 nan 8.230 nan 0.000 0.884 70 N N -0.635 118.043 118.700 -0.037 0.000 2.405 70 N HA 0.651 5.392 4.740 0.001 0.000 0.299 70 N C 1.208 176.740 175.510 0.036 0.000 1.075 70 N CA 0.347 53.407 53.050 0.018 0.000 0.884 70 N CB 1.657 40.130 38.487 -0.023 0.000 1.194 70 N HN 0.310 nan 8.380 nan 0.000 0.491 71 T N -3.028 111.573 114.554 0.078 0.000 3.010 71 T HA 0.112 4.463 4.350 0.001 0.000 0.257 71 T C 0.921 175.649 174.700 0.047 0.000 1.020 71 T CA -0.151 61.988 62.100 0.065 0.000 0.938 71 T CB -0.024 68.889 68.868 0.074 0.000 1.049 71 T HN 0.200 nan 8.240 nan 0.000 0.522 72 V N 1.936 121.884 119.914 0.056 0.000 3.139 72 V HA 0.149 4.270 4.120 0.001 0.000 0.307 72 V C 1.058 177.167 176.094 0.026 0.000 1.095 72 V CA 0.444 62.769 62.300 0.041 0.000 1.160 72 V CB 1.122 32.982 31.823 0.063 0.000 1.003 72 V HN 0.515 nan 8.190 nan 0.000 0.489 73 E N 3.287 123.498 120.200 0.017 0.000 2.251 73 E HA 0.149 4.499 4.350 0.001 0.000 0.194 73 E C 0.777 177.392 176.600 0.024 0.000 0.964 73 E CA -0.003 56.410 56.400 0.021 0.000 0.868 73 E CB 0.425 30.136 29.700 0.017 0.000 0.828 73 E HN 0.554 nan 8.360 nan 0.000 0.481 74 R N 1.466 121.974 120.500 0.014 0.000 2.409 74 R HA 0.379 4.719 4.340 0.001 0.000 0.313 74 R C -1.333 174.961 176.300 -0.010 0.000 0.953 74 R CA -0.301 55.805 56.100 0.011 0.000 0.849 74 R CB 0.796 31.100 30.300 0.007 0.000 1.171 74 R HN -0.030 nan 8.270 nan 0.000 0.458 75 I N 7.157 127.721 120.570 -0.010 0.000 2.371 75 I HA 0.287 4.457 4.170 0.001 0.000 0.282 75 I C -1.818 174.267 176.117 -0.052 0.000 1.031 75 I CA -2.524 58.749 61.300 -0.045 0.000 1.180 75 I CB 2.140 40.114 38.000 -0.044 0.000 1.336 75 I HN 0.439 nan 8.210 nan 0.000 0.467 76 P HA -0.004 nan 4.420 nan 0.000 0.301 76 P C 0.200 177.451 177.300 -0.080 0.000 1.560 76 P CA 0.551 63.609 63.100 -0.070 0.000 0.784 76 P CB -0.319 31.336 31.700 -0.076 0.000 1.715 77 L N 0.145 121.314 121.223 -0.090 0.000 2.727 77 L HA 0.109 4.449 4.340 0.001 0.000 0.237 77 L C 1.311 178.099 176.870 -0.137 0.000 1.370 77 L CA 0.179 54.956 54.840 -0.104 0.000 1.248 77 L CB -0.572 41.422 42.059 -0.108 0.000 1.556 77 L HN 0.168 nan 8.230 nan 0.000 0.420 78 E N 0.096 120.228 120.200 -0.114 0.000 2.112 78 E HA -0.120 4.230 4.350 0.001 0.000 0.190 78 E C 1.071 177.589 176.600 -0.138 0.000 0.979 78 E CA 0.917 57.236 56.400 -0.135 0.000 0.814 78 E CB 0.094 29.744 29.700 -0.084 0.000 0.762 78 E HN 0.628 nan 8.360 nan 0.000 0.460 79 N N 0.694 119.337 118.700 -0.094 0.000 2.383 79 N HA 0.038 4.778 4.740 0.001 0.000 0.192 79 N C -0.317 175.145 175.510 -0.079 0.000 1.141 79 N CA -0.453 52.551 53.050 -0.076 0.000 0.851 79 N CB 0.298 38.760 38.487 -0.042 0.000 0.976 79 N HN 0.004 nan 8.380 nan 0.000 0.465 80 L N 1.374 122.534 121.223 -0.106 0.000 2.455 80 L HA -0.019 4.322 4.340 0.001 0.000 0.272 80 L C 1.118 177.923 176.870 -0.107 0.000 1.174 80 L CA 0.825 55.610 54.840 -0.092 0.000 0.869 80 L CB 1.064 43.059 42.059 -0.107 0.000 1.130 80 L HN 0.035 nan 8.230 nan 0.000 0.474 81 Q N 3.967 123.728 119.800 -0.065 0.000 2.511 81 Q HA 0.414 4.754 4.340 0.001 0.000 0.236 81 Q C -0.197 175.785 176.000 -0.031 0.000 0.893 81 Q CA 0.127 55.896 55.803 -0.055 0.000 0.947 81 Q CB 0.692 29.409 28.738 -0.035 0.000 1.110 81 Q HN 0.716 nan 8.270 nan 0.000 0.591 82 I N 0.285 120.848 120.570 -0.012 0.000 2.894 82 I HA 0.405 4.576 4.170 0.001 0.000 0.302 82 I C -1.747 174.383 176.117 0.022 0.000 1.188 82 I CA -1.110 60.196 61.300 0.011 0.000 1.014 82 I CB 2.188 40.195 38.000 0.011 0.000 1.242 82 I HN 0.010 nan 8.210 nan 0.000 0.430 83 I N 7.146 127.742 120.570 0.043 0.000 2.448 83 I HA 0.368 4.539 4.170 0.001 0.000 0.281 83 I C 0.949 177.101 176.117 0.057 0.000 1.027 83 I CA -0.793 60.541 61.300 0.056 0.000 1.111 83 I CB 1.465 39.515 38.000 0.083 0.000 1.236 83 I HN 0.669 nan 8.210 nan 0.000 0.452 84 R N 3.995 124.530 120.500 0.057 0.000 2.097 84 R HA -0.103 4.238 4.340 0.001 0.000 0.236 84 R C 1.345 177.725 176.300 0.133 0.000 1.135 84 R CA 1.512 57.655 56.100 0.072 0.000 0.934 84 R CB -0.435 29.913 30.300 0.081 0.000 0.846 84 R HN 0.975 nan 8.270 nan 0.000 0.431 85 G N 0.521 109.426 108.800 0.176 0.000 2.141 85 G HA2 -0.215 3.745 3.960 0.001 0.000 0.195 85 G HA3 -0.215 3.745 3.960 0.001 0.000 0.195 85 G C 0.302 175.433 174.900 0.386 0.000 1.012 85 G CA 0.425 45.682 45.100 0.261 0.000 0.696 85 G HN 0.272 nan 8.290 nan 0.000 0.508 86 N N -0.298 118.562 118.700 0.265 0.000 2.258 86 N HA 0.033 4.773 4.740 0.001 0.000 0.187 86 N C 1.287 176.903 175.510 0.176 0.000 1.012 86 N CA 1.507 54.672 53.050 0.192 0.000 0.870 86 N CB -0.049 38.502 38.487 0.107 0.000 0.977 86 N HN 0.666 nan 8.380 nan 0.000 0.434 87 M N -1.465 118.310 119.600 0.292 0.000 2.691 87 M HA 0.342 4.823 4.480 0.001 0.000 0.293 87 M C -1.401 175.313 176.300 0.690 0.000 1.259 87 M CA -0.748 54.753 55.300 0.336 0.000 0.827 87 M CB 2.092 34.885 32.600 0.321 0.000 1.753 87 M HN -0.202 nan 8.290 nan 0.000 0.465 88 Y N -0.398 120.016 120.300 0.190 0.000 2.570 88 Y HA 0.470 5.021 4.550 0.001 0.000 0.345 88 Y C -0.992 174.753 175.900 -0.259 0.000 1.014 88 Y CA -1.651 56.462 58.100 0.021 0.000 1.063 88 Y CB 1.231 39.651 38.460 -0.066 0.000 1.272 88 Y HN 0.506 nan 8.280 nan 0.000 0.477 89 Y N 1.179 121.194 120.300 -0.475 0.000 2.341 89 Y HA 0.472 5.022 4.550 0.001 0.000 0.337 89 Y C 0.787 176.593 175.900 -0.157 0.000 1.014 89 Y CA -1.044 56.657 58.100 -0.666 0.000 1.111 89 Y CB 1.227 39.108 38.460 -0.966 0.000 1.194 89 Y HN 0.791 nan 8.280 nan 0.000 0.462 90 E N 2.841 122.515 120.200 -0.877 0.000 3.253 90 E HA -0.351 3.999 4.350 0.001 0.000 0.284 90 E C -0.943 175.517 176.600 -0.233 0.000 0.958 90 E CA 1.418 57.464 56.400 -0.591 0.000 0.917 90 E CB -1.430 27.909 29.700 -0.601 0.000 1.466 90 E HN 0.844 nan 8.360 nan 0.000 0.455 91 N N -1.223 117.385 118.700 -0.152 0.000 4.102 91 N HA -0.207 4.533 4.740 0.001 0.000 0.315 91 N C -0.121 175.281 175.510 -0.181 0.000 2.203 91 N CA 1.547 54.569 53.050 -0.047 0.000 2.949 91 N CB -1.165 37.276 38.487 -0.077 0.000 0.308 91 N HN 0.932 nan 8.380 nan 0.000 0.727 92 S N -1.240 114.491 115.700 0.051 0.000 3.482 92 S HA -0.275 4.195 4.470 0.001 0.000 0.294 92 S C -0.564 173.495 174.600 -0.901 0.000 1.244 92 S CA 1.195 59.151 58.200 -0.407 0.000 0.911 92 S CB -2.357 60.574 63.200 -0.449 0.000 1.070 92 S HN 0.652 nan 8.310 nan 0.000 0.614 93 Y N -0.577 119.487 120.300 -0.393 0.000 2.361 93 Y HA 0.705 5.256 4.550 0.001 0.000 0.328 93 Y C 0.929 176.634 175.900 -0.324 0.000 1.044 93 Y CA -0.658 57.246 58.100 -0.327 0.000 1.085 93 Y CB 1.665 40.052 38.460 -0.122 0.000 1.194 93 Y HN 0.232 nan 8.280 nan 0.000 0.438 94 A N 2.781 125.515 122.820 -0.144 0.000 2.063 94 A HA 0.215 4.535 4.320 0.001 0.000 0.211 94 A C -0.280 177.375 177.584 0.118 0.000 1.177 94 A CA 0.546 52.581 52.037 -0.004 0.000 0.759 94 A CB 0.454 19.404 19.000 -0.083 0.000 0.857 94 A HN 0.482 nan 8.150 nan 0.000 0.468 95 L N -0.542 120.710 121.223 0.049 0.000 2.404 95 L HA 0.766 5.106 4.340 0.001 0.000 0.272 95 L C -0.785 175.981 176.870 -0.173 0.000 0.980 95 L CA -0.634 54.210 54.840 0.006 0.000 0.836 95 L CB 1.406 43.527 42.059 0.103 0.000 1.238 95 L HN 0.166 nan 8.230 nan 0.000 0.408 96 A N 5.194 127.847 122.820 -0.279 0.000 2.375 96 A HA 0.730 5.050 4.320 0.001 0.000 0.291 96 A C -1.349 175.908 177.584 -0.546 0.000 1.160 96 A CA -0.497 51.255 52.037 -0.475 0.000 0.747 96 A CB 1.284 20.026 19.000 -0.429 0.000 1.170 96 A HN 0.483 nan 8.150 nan 0.000 0.458 97 V N 4.426 123.898 119.914 -0.736 0.000 2.318 97 V HA 0.416 4.537 4.120 0.001 0.000 0.271 97 V C -0.222 175.581 176.094 -0.485 0.000 1.030 97 V CA -0.093 61.825 62.300 -0.637 0.000 0.844 97 V CB 0.292 31.593 31.823 -0.871 0.000 1.015 97 V HN 0.728 nan 8.190 nan 0.000 0.460 98 L N 2.608 123.616 121.223 -0.359 0.000 2.346 98 L HA 0.529 4.870 4.340 0.001 0.000 0.274 98 L C 0.743 177.467 176.870 -0.243 0.000 1.007 98 L CA -0.865 53.814 54.840 -0.268 0.000 0.818 98 L CB 1.894 43.817 42.059 -0.225 0.000 1.284 98 L HN 0.585 nan 8.230 nan 0.000 0.424 99 S N 2.173 117.736 115.700 -0.229 0.000 3.415 99 S HA -0.185 4.285 4.470 0.001 0.000 0.257 99 S C 0.341 174.645 174.600 -0.492 0.000 0.773 99 S CA 0.328 58.282 58.200 -0.408 0.000 1.382 99 S CB -1.114 61.811 63.200 -0.457 0.000 1.146 99 S HN 0.629 nan 8.310 nan 0.000 0.432 100 N N 2.073 120.592 118.700 -0.301 0.000 2.920 100 N HA 0.265 5.005 4.740 0.001 0.000 0.310 100 N C -0.557 174.911 175.510 -0.070 0.000 1.384 100 N CA -0.082 52.860 53.050 -0.181 0.000 1.083 100 N CB 0.324 38.756 38.487 -0.092 0.000 1.389 100 N HN 0.693 nan 8.380 nan 0.000 0.521 101 Y N -1.970 118.330 120.300 -0.000 0.000 2.562 101 Y HA 0.613 5.163 4.550 0.001 0.000 0.343 101 Y C -0.231 175.677 175.900 0.014 0.000 1.025 101 Y CA -1.698 56.399 58.100 -0.005 0.000 1.082 101 Y CB 0.829 39.280 38.460 -0.016 0.000 1.264 101 Y HN -0.168 nan 8.280 nan 0.000 0.478 102 D N 0.542 121.112 120.400 0.283 0.000 2.229 102 D HA 0.372 5.012 4.640 0.001 0.000 0.249 102 D C 1.011 177.423 176.300 0.186 0.000 1.027 102 D CA 0.212 54.324 54.000 0.187 0.000 0.923 102 D CB 2.336 43.191 40.800 0.092 0.000 1.174 102 D HN 0.882 nan 8.370 nan 0.000 0.443 103 A N 3.419 126.321 122.820 0.137 0.000 2.009 103 A HA -0.272 4.048 4.320 0.001 0.000 0.222 103 A C 1.418 179.010 177.584 0.013 0.000 1.175 103 A CA 1.651 53.734 52.037 0.076 0.000 0.651 103 A CB -0.544 18.487 19.000 0.052 0.000 0.815 103 A HN 0.653 nan 8.150 nan 0.000 0.459 104 N N -0.006 118.707 118.700 0.021 0.000 2.421 104 N HA 0.074 4.814 4.740 0.001 0.000 0.201 104 N C -0.373 175.134 175.510 -0.004 0.000 1.198 104 N CA 0.172 53.224 53.050 0.004 0.000 0.838 104 N CB 0.124 38.619 38.487 0.013 0.000 1.011 104 N HN 0.177 nan 8.380 nan 0.000 0.463 105 K N 0.122 120.500 120.400 -0.036 0.000 3.257 105 K HA -0.151 4.170 4.320 0.001 0.000 0.270 105 K C -0.686 175.911 176.600 -0.006 0.000 0.984 105 K CA 0.933 57.178 56.287 -0.071 0.000 0.739 105 K CB -2.669 29.779 32.500 -0.087 0.000 1.351 105 K HN 0.518 nan 8.250 nan 0.000 0.463 106 T N -2.723 111.853 114.554 0.036 0.000 3.348 106 T HA 0.619 4.969 4.350 0.001 0.000 0.328 106 T C 0.487 175.217 174.700 0.049 0.000 0.913 106 T CA -0.158 61.958 62.100 0.026 0.000 1.043 106 T CB 1.877 70.767 68.868 0.036 0.000 1.021 106 T HN 0.271 nan 8.240 nan 0.000 0.461 107 G N 2.224 111.048 108.800 0.039 0.000 3.382 107 G HA2 0.583 4.544 3.960 0.001 0.000 0.183 107 G HA3 0.583 4.544 3.960 0.001 0.000 0.183 107 G C -0.633 174.284 174.900 0.029 0.000 1.246 107 G CA -0.823 44.306 45.100 0.049 0.000 0.828 107 G HN 0.816 nan 8.290 nan 0.000 0.728 108 L N 1.247 122.487 121.223 0.028 0.000 2.513 108 L HA 0.390 4.731 4.340 0.001 0.000 0.272 108 L C 1.294 178.190 176.870 0.044 0.000 1.187 108 L CA 0.676 55.536 54.840 0.033 0.000 0.895 108 L CB 0.894 42.970 42.059 0.029 0.000 1.147 108 L HN 0.643 nan 8.230 nan 0.000 0.483 109 K N 2.604 123.035 120.400 0.053 0.000 2.324 109 K HA 0.202 4.523 4.320 0.001 0.000 0.222 109 K C -0.407 176.250 176.600 0.095 0.000 1.107 109 K CA 0.152 56.479 56.287 0.066 0.000 0.873 109 K CB 0.268 32.802 32.500 0.058 0.000 1.270 109 K HN 0.814 nan 8.250 nan 0.000 0.456 110 E N 1.425 121.676 120.200 0.084 0.000 2.191 110 E HA 0.341 4.691 4.350 0.001 0.000 0.278 110 E C -1.192 175.471 176.600 0.106 0.000 0.972 110 E CA -0.603 55.857 56.400 0.100 0.000 0.804 110 E CB 1.984 31.729 29.700 0.075 0.000 1.110 110 E HN 0.025 nan 8.360 nan 0.000 0.394 111 L N 4.114 125.433 121.223 0.159 0.000 2.470 111 L HA 0.340 4.681 4.340 0.001 0.000 0.253 111 L C -2.636 174.333 176.870 0.165 0.000 1.163 111 L CA -2.138 52.799 54.840 0.162 0.000 0.932 111 L CB 1.385 43.597 42.059 0.255 0.000 1.213 111 L HN 0.380 nan 8.230 nan 0.000 0.485 112 P HA 0.115 nan 4.420 nan 0.000 0.235 112 P C 0.336 177.532 177.300 -0.174 0.000 1.670 112 P CA 0.631 63.737 63.100 0.009 0.000 1.017 112 P CB -0.287 31.409 31.700 -0.008 0.000 1.945 113 M N 0.544 119.914 119.600 -0.384 0.000 2.719 113 M HA 0.102 4.582 4.480 0.001 0.000 0.247 113 M C 1.621 177.084 176.300 -1.395 0.000 1.287 113 M CA 0.020 54.803 55.300 -0.862 0.000 1.004 113 M CB -0.256 31.709 32.600 -1.057 0.000 1.514 113 M HN 0.172 nan 8.290 nan 0.000 0.462 114 R N -0.504 119.485 120.500 -0.852 0.000 2.226 114 R HA -0.180 4.161 4.340 0.001 0.000 0.246 114 R C 0.851 176.914 176.300 -0.395 0.000 1.161 114 R CA 1.842 57.607 56.100 -0.557 0.000 0.997 114 R CB -0.719 29.507 30.300 -0.123 0.000 0.870 114 R HN 0.343 nan 8.270 nan 0.000 0.465 115 N N -0.033 118.437 118.700 -0.382 0.000 2.325 115 N HA 0.081 4.821 4.740 0.001 0.000 0.182 115 N C -0.447 174.927 175.510 -0.227 0.000 1.088 115 N CA -0.180 52.734 53.050 -0.226 0.000 0.879 115 N CB 0.301 38.697 38.487 -0.152 0.000 0.983 115 N HN 0.060 nan 8.380 nan 0.000 0.471 116 L N 1.497 122.490 121.223 -0.383 0.000 2.500 116 L HA 0.010 4.350 4.340 0.001 0.000 0.272 116 L C 0.597 177.398 176.870 -0.116 0.000 1.149 116 L CA 0.894 55.579 54.840 -0.259 0.000 0.897 116 L CB 0.438 42.268 42.059 -0.382 0.000 1.178 116 L HN 0.219 nan 8.230 nan 0.000 0.473 117 Q N 2.354 122.137 119.800 -0.028 0.000 2.288 117 Q HA 0.231 4.572 4.340 0.001 0.000 0.256 117 Q C -0.210 175.827 176.000 0.062 0.000 0.835 117 Q CA -0.039 55.780 55.803 0.027 0.000 0.958 117 Q CB 1.111 29.859 28.738 0.016 0.000 1.125 117 Q HN 0.682 nan 8.270 nan 0.000 0.513 118 E N 0.723 120.959 120.200 0.061 0.000 2.266 118 E HA 0.479 4.829 4.350 0.001 0.000 0.268 118 E C -1.353 175.308 176.600 0.102 0.000 0.879 118 E CA -0.449 55.999 56.400 0.081 0.000 0.762 118 E CB 1.553 31.283 29.700 0.050 0.000 1.199 118 E HN 0.055 nan 8.360 nan 0.000 0.422 119 I N 6.440 127.082 120.570 0.121 0.000 2.796 119 I HA 0.102 4.272 4.170 0.001 0.000 0.277 119 I C 0.723 176.878 176.117 0.062 0.000 1.331 119 I CA -0.206 61.161 61.300 0.113 0.000 0.983 119 I CB 0.611 38.723 38.000 0.186 0.000 1.410 119 I HN 0.669 nan 8.210 nan 0.000 0.561 120 L N 3.041 124.258 121.223 -0.010 0.000 2.011 120 L HA -0.209 4.132 4.340 0.001 0.000 0.225 120 L C 0.538 177.289 176.870 -0.198 0.000 1.084 120 L CA 1.681 56.419 54.840 -0.170 0.000 0.791 120 L CB -0.312 41.561 42.059 -0.309 0.000 0.898 120 L HN 0.551 nan 8.230 nan 0.000 0.440 121 H N -1.170 117.982 119.070 0.137 0.000 2.609 121 H HA 0.580 5.136 4.556 0.001 0.000 0.344 121 H C 0.126 175.158 175.328 -0.494 0.000 1.040 121 H CA 0.091 56.187 56.048 0.080 0.000 1.216 121 H CB 1.417 31.365 29.762 0.310 0.000 1.529 121 H HN 0.280 nan 8.280 nan 0.000 0.519 122 G N 0.642 108.527 108.800 -1.525 0.000 2.423 122 G HA2 0.347 4.308 3.960 0.001 0.000 0.684 122 G HA3 0.347 4.308 3.960 0.001 0.000 0.684 122 G C -1.491 172.735 174.900 -1.125 0.000 1.309 122 G CA -0.428 43.695 45.100 -1.628 0.000 0.950 122 G HN 0.791 nan 8.290 nan 0.000 0.587 123 A N -1.091 121.339 122.820 -0.650 0.000 2.384 123 A HA 0.972 5.292 4.320 0.001 0.000 0.312 123 A C 0.075 177.678 177.584 0.031 0.000 1.113 123 A CA -0.090 51.830 52.037 -0.194 0.000 0.779 123 A CB 1.810 20.754 19.000 -0.094 0.000 1.307 123 A HN 1.980 nan 8.150 nan 0.000 0.436 124 V N 0.529 120.440 119.914 -0.004 0.000 2.834 124 V HA 0.752 4.872 4.120 0.001 0.000 0.313 124 V C 0.266 176.270 176.094 -0.151 0.000 1.060 124 V CA -0.703 61.527 62.300 -0.116 0.000 0.989 124 V CB 1.478 33.028 31.823 -0.455 0.000 1.041 124 V HN 0.960 nan 8.190 nan 0.000 0.459 125 R N 1.924 122.227 120.500 -0.328 0.000 2.510 125 R HA 0.539 4.879 4.340 0.001 0.000 0.287 125 R C -2.431 173.653 176.300 -0.360 0.000 1.084 125 R CA -0.418 55.409 56.100 -0.455 0.000 0.934 125 R CB 1.332 30.910 30.300 -1.205 0.000 1.201 125 R HN 0.548 nan 8.270 nan 0.000 0.431 126 F N 2.120 121.782 119.950 -0.480 0.000 2.507 126 F HA 0.562 5.089 4.527 0.001 0.000 0.325 126 F C -0.268 175.290 175.800 -0.403 0.000 1.116 126 F CA -0.351 57.370 58.000 -0.463 0.000 0.930 126 F CB 2.480 41.059 39.000 -0.702 0.000 1.146 126 F HN 0.579 nan 8.300 nan 0.000 0.447 127 S N 2.082 117.687 115.700 -0.157 0.000 2.548 127 S HA 0.365 4.835 4.470 0.001 0.000 0.278 127 S C -0.817 173.758 174.600 -0.042 0.000 1.150 127 S CA -1.071 57.069 58.200 -0.101 0.000 0.907 127 S CB 1.048 64.188 63.200 -0.099 0.000 1.108 127 S HN 0.823 nan 8.310 nan 0.000 0.459 128 N N 1.698 120.421 118.700 0.039 0.000 2.727 128 N HA -0.132 4.608 4.740 0.001 0.000 0.251 128 N C -1.187 174.434 175.510 0.185 0.000 1.040 128 N CA 0.394 53.546 53.050 0.169 0.000 0.712 128 N CB -0.811 37.819 38.487 0.237 0.000 0.912 128 N HN 0.658 nan 8.380 nan 0.000 0.545 129 N N 0.684 119.463 118.700 0.132 0.000 2.813 129 N HA 0.230 4.970 4.740 0.001 0.000 0.282 129 N C -2.819 172.761 175.510 0.116 0.000 1.748 129 N CA -0.781 52.338 53.050 0.115 0.000 0.860 129 N CB 1.234 39.764 38.487 0.071 0.000 1.204 129 N HN 0.191 nan 8.380 nan 0.000 0.490 130 P HA -0.001 nan 4.420 nan 0.000 0.266 130 P C 0.573 177.750 177.300 -0.204 0.000 1.193 130 P CA 0.634 63.688 63.100 -0.077 0.000 0.770 130 P CB 0.785 32.430 31.700 -0.091 0.000 0.836 131 A N 0.897 123.415 122.820 -0.503 0.000 3.553 131 A HA -0.210 4.110 4.320 0.001 0.000 0.261 131 A C 0.362 177.947 177.584 0.002 0.000 1.096 131 A CA 0.495 52.339 52.037 -0.322 0.000 1.308 131 A CB -2.485 16.398 19.000 -0.195 0.000 1.084 131 A HN 0.523 nan 8.150 nan 0.000 0.914 132 L N 1.684 122.953 121.223 0.076 0.000 2.462 132 L HA 0.470 4.810 4.340 0.001 0.000 0.272 132 L C 0.379 177.353 176.870 0.173 0.000 1.166 132 L CA 0.349 55.295 54.840 0.176 0.000 0.880 132 L CB 0.371 42.606 42.059 0.294 0.000 1.142 132 L HN 0.537 nan 8.230 nan 0.000 0.473 133 c N 5.035 123.723 118.600 0.146 0.000 2.435 133 c HA 0.476 5.046 4.570 0.001 0.000 0.333 133 c C 1.389 175.511 174.090 0.054 0.000 1.202 133 c CA -0.215 56.172 56.329 0.097 0.000 1.830 133 c CB 0.820 43.383 42.510 0.089 0.000 2.326 133 c HN 1.101 nan 8.230 nan 0.000 0.507 134 N N -0.143 118.543 118.700 -0.023 0.000 1.861 134 N HA -0.271 4.470 4.740 0.001 0.000 0.216 134 N C 0.989 176.361 175.510 -0.231 0.000 0.784 134 N CA 1.617 54.607 53.050 -0.101 0.000 4.053 134 N CB -1.147 37.318 38.487 -0.036 0.000 0.716 134 N HN 0.537 nan 8.380 nan 0.000 0.274 135 V N 1.705 121.527 119.914 -0.154 0.000 2.495 135 V HA -0.309 3.811 4.120 0.001 0.000 0.260 135 V C 2.341 178.056 176.094 -0.632 0.000 1.097 135 V CA 2.642 64.780 62.300 -0.269 0.000 1.105 135 V CB -0.730 31.196 31.823 0.171 0.000 0.678 135 V HN 0.468 nan 8.190 nan 0.000 0.469 136 E N 1.532 121.242 120.200 -0.816 0.000 2.209 136 E HA -0.215 4.136 4.350 0.001 0.000 0.196 136 E C 2.088 178.208 176.600 -0.800 0.000 0.993 136 E CA 1.770 57.352 56.400 -1.364 0.000 0.819 136 E CB -0.376 28.893 29.700 -0.719 0.000 0.745 136 E HN 0.770 nan 8.360 nan 0.000 0.477 137 S N -0.784 114.599 115.700 -0.528 0.000 2.503 137 S HA 0.114 4.584 4.470 0.001 0.000 0.217 137 S C 0.646 175.009 174.600 -0.396 0.000 0.999 137 S CA -0.355 57.619 58.200 -0.377 0.000 0.914 137 S CB -0.243 62.785 63.200 -0.287 0.000 0.782 137 S HN 0.134 nan 8.310 nan 0.000 0.520 138 I N 3.842 124.073 120.570 -0.564 0.000 2.581 138 I HA 0.041 4.211 4.170 0.001 0.000 0.285 138 I C 0.593 176.457 176.117 -0.421 0.000 1.129 138 I CA 0.212 61.083 61.300 -0.715 0.000 1.397 138 I CB 0.225 37.372 38.000 -1.423 0.000 1.399 138 I HN 0.406 nan 8.210 nan 0.000 0.537 139 Q N 5.431 125.060 119.800 -0.284 0.000 2.361 139 Q HA 0.108 4.449 4.340 0.001 0.000 0.250 139 Q C -0.303 175.667 176.000 -0.052 0.000 1.023 139 Q CA -0.390 55.375 55.803 -0.064 0.000 0.915 139 Q CB 0.197 28.907 28.738 -0.047 0.000 1.238 139 Q HN 0.609 nan 8.270 nan 0.000 0.451 140 W N 2.021 123.297 121.300 -0.039 0.000 2.595 140 W HA 0.051 4.711 4.660 0.001 0.000 0.257 140 W C 2.032 178.583 176.519 0.055 0.000 1.267 140 W CA -0.069 57.295 57.345 0.031 0.000 1.300 140 W CB -0.028 29.466 29.460 0.057 0.000 1.120 140 W HN 0.651 nan 8.180 nan 0.000 0.618 141 R N 0.954 121.597 120.500 0.239 0.000 2.244 141 R HA -0.239 4.101 4.340 0.001 0.000 0.252 141 R C 1.846 178.227 176.300 0.135 0.000 1.177 141 R CA 2.098 58.296 56.100 0.163 0.000 1.004 141 R CB -0.515 29.849 30.300 0.105 0.000 0.873 141 R HN 0.201 nan 8.270 nan 0.000 0.469 142 D N -0.747 119.722 120.400 0.115 0.000 2.323 142 D HA -0.060 4.580 4.640 0.001 0.000 0.218 142 D C 1.625 177.994 176.300 0.114 0.000 0.973 142 D CA 0.535 54.587 54.000 0.086 0.000 0.890 142 D CB 0.319 41.143 40.800 0.040 0.000 1.011 142 D HN 0.171 nan 8.370 nan 0.000 0.499 143 I N 1.409 122.069 120.570 0.151 0.000 2.406 143 I HA -0.020 4.150 4.170 0.001 0.000 0.249 143 I C 1.349 177.625 176.117 0.264 0.000 1.122 143 I CA 0.516 61.935 61.300 0.199 0.000 1.431 143 I CB -0.800 37.330 38.000 0.217 0.000 1.087 143 I HN -0.175 nan 8.210 nan 0.000 0.424 144 V N 1.277 121.381 119.914 0.317 0.000 2.973 144 V HA 0.286 4.407 4.120 0.001 0.000 0.314 144 V C 0.466 176.702 176.094 0.238 0.000 1.066 144 V CA -0.757 61.716 62.300 0.288 0.000 1.021 144 V CB 1.624 33.629 31.823 0.304 0.000 1.076 144 V HN 0.409 nan 8.190 nan 0.000 0.462 145 S N 0.396 116.263 115.700 0.280 0.000 2.480 145 S HA 0.216 4.686 4.470 0.001 0.000 0.286 145 S C 1.266 175.977 174.600 0.185 0.000 1.180 145 S CA 0.062 58.398 58.200 0.226 0.000 1.075 145 S CB 1.274 64.626 63.200 0.254 0.000 0.996 145 S HN 1.091 nan 8.310 nan 0.000 0.487 146 S N 2.009 117.771 115.700 0.103 0.000 2.406 146 S HA -0.355 4.116 4.470 0.001 0.000 0.242 146 S C 1.112 175.716 174.600 0.006 0.000 1.079 146 S CA 2.069 60.304 58.200 0.059 0.000 1.133 146 S CB -1.371 61.848 63.200 0.032 0.000 1.005 146 S HN 0.863 nan 8.310 nan 0.000 0.443 147 D N -0.271 120.065 120.400 -0.107 0.000 2.400 147 D HA 0.096 4.736 4.640 0.001 0.000 0.242 147 D C 0.637 176.673 176.300 -0.440 0.000 1.077 147 D CA 0.608 54.436 54.000 -0.286 0.000 0.943 147 D CB -0.359 40.193 40.800 -0.413 0.000 0.882 147 D HN 0.655 nan 8.370 nan 0.000 0.529 148 F N -1.535 118.451 119.950 0.060 0.000 2.815 148 F HA 0.073 4.600 4.527 0.001 0.000 0.328 148 F C 1.641 177.461 175.800 0.033 0.000 0.982 148 F CA -0.601 57.426 58.000 0.044 0.000 1.154 148 F CB 0.083 39.112 39.000 0.048 0.000 0.980 148 F HN -0.077 nan 8.300 nan 0.000 0.603 149 L N -0.591 120.767 121.223 0.225 0.000 2.129 149 L HA -0.143 4.197 4.340 0.001 0.000 0.212 149 L C 1.861 178.795 176.870 0.106 0.000 1.087 149 L CA 1.594 56.522 54.840 0.147 0.000 0.757 149 L CB -2.205 39.929 42.059 0.126 0.000 0.896 149 L HN -0.077 nan 8.230 nan 0.000 0.434 150 S N -0.123 115.633 115.700 0.093 0.000 2.419 150 S HA -0.140 4.330 4.470 0.001 0.000 0.235 150 S C 1.500 176.140 174.600 0.067 0.000 1.019 150 S CA 1.500 59.739 58.200 0.065 0.000 0.982 150 S CB -0.592 62.636 63.200 0.046 0.000 0.789 150 S HN 0.619 nan 8.310 nan 0.000 0.490 151 N N 1.121 119.875 118.700 0.091 0.000 2.535 151 N HA 0.221 4.961 4.740 0.001 0.000 0.294 151 N C -0.722 174.822 175.510 0.057 0.000 1.408 151 N CA -0.201 52.886 53.050 0.062 0.000 0.927 151 N CB 0.073 38.598 38.487 0.063 0.000 1.276 151 N HN 0.495 nan 8.380 nan 0.000 0.505 152 M N -0.411 119.243 119.600 0.091 0.000 2.067 152 M HA 0.427 4.908 4.480 0.001 0.000 0.286 152 M C -0.884 175.472 176.300 0.094 0.000 0.922 152 M CA -0.800 54.581 55.300 0.136 0.000 0.937 152 M CB 1.558 34.200 32.600 0.071 0.000 1.550 152 M HN -0.035 nan 8.290 nan 0.000 0.433 153 S N 6.284 122.072 115.700 0.146 0.000 2.480 153 S HA 0.874 5.345 4.470 0.001 0.000 0.286 153 S C -0.339 174.218 174.600 -0.071 0.000 1.180 153 S CA -0.689 57.534 58.200 0.037 0.000 1.075 153 S CB 0.930 64.169 63.200 0.066 0.000 0.996 153 S HN 0.968 nan 8.310 nan 0.000 0.487 154 M N 1.195 120.732 119.600 -0.105 0.000 2.265 154 M HA 0.502 4.982 4.480 0.001 0.000 0.251 154 M C -2.410 173.756 176.300 -0.224 0.000 1.005 154 M CA -0.630 54.541 55.300 -0.216 0.000 0.998 154 M CB 1.763 34.173 32.600 -0.317 0.000 2.070 154 M HN 0.280 nan 8.290 nan 0.000 0.476 155 D N 4.107 124.371 120.400 -0.227 0.000 2.471 155 D HA 0.565 5.206 4.640 0.001 0.000 0.245 155 D C -1.071 175.148 176.300 -0.135 0.000 1.116 155 D CA 0.093 54.038 54.000 -0.092 0.000 0.853 155 D CB 1.186 41.977 40.800 -0.015 0.000 1.123 155 D HN 0.381 nan 8.370 nan 0.000 0.540 156 F N 1.793 121.756 119.950 0.021 0.000 2.382 156 F HA 0.310 4.837 4.527 0.001 0.000 0.331 156 F C 1.293 177.121 175.800 0.048 0.000 1.121 156 F CA -0.484 57.541 58.000 0.043 0.000 1.183 156 F CB 0.808 39.816 39.000 0.014 0.000 1.207 156 F HN 0.155 nan 8.300 nan 0.000 0.555 157 Q N 1.108 121.052 119.800 0.240 0.000 2.873 157 Q HA 0.564 4.904 4.340 0.001 0.000 0.297 157 Q C -1.687 174.424 176.000 0.185 0.000 1.064 157 Q CA -0.973 54.929 55.803 0.166 0.000 0.816 157 Q CB 1.642 30.450 28.738 0.116 0.000 1.481 157 Q HN 0.652 nan 8.270 nan 0.000 0.488 158 N N -0.094 118.705 118.700 0.164 0.000 2.545 158 N HA 0.610 5.350 4.740 0.001 0.000 0.289 158 N C -0.883 174.789 175.510 0.270 0.000 1.279 158 N CA -0.388 52.789 53.050 0.213 0.000 0.824 158 N CB 1.227 39.774 38.487 0.099 0.000 1.395 158 N HN 0.747 nan 8.380 nan 0.000 0.526 159 H N -2.003 117.081 119.070 0.024 0.000 2.950 159 H HA 0.303 4.859 4.556 0.001 0.000 0.272 159 H C -0.907 174.425 175.328 0.007 0.000 1.495 159 H CA -0.741 55.314 56.048 0.011 0.000 1.183 159 H CB 0.179 29.950 29.762 0.016 0.000 1.867 159 H HN 0.319 nan 8.280 nan 0.000 0.597 160 L N 1.094 122.292 121.223 -0.042 0.000 2.855 160 L HA 0.387 4.728 4.340 0.001 0.000 0.245 160 L C 0.738 177.498 176.870 -0.184 0.000 1.276 160 L CA 0.421 55.200 54.840 -0.103 0.000 1.118 160 L CB -0.584 41.466 42.059 -0.014 0.000 1.444 160 L HN 0.707 nan 8.230 nan 0.000 0.440 161 G N -1.599 106.865 108.800 -0.561 0.000 3.086 161 G HA2 0.660 4.620 3.960 0.001 0.000 0.282 161 G HA3 0.660 4.620 3.960 0.001 0.000 0.282 161 G C -1.435 173.217 174.900 -0.412 0.000 1.343 161 G CA -0.365 44.501 45.100 -0.390 0.000 0.895 161 G HN -0.037 nan 8.290 nan 0.000 0.557 162 S N -2.417 113.205 115.700 -0.130 0.000 2.614 162 S HA 0.508 4.979 4.470 0.001 0.000 0.280 162 S C -1.124 173.492 174.600 0.026 0.000 1.111 162 S CA -0.301 57.866 58.200 -0.055 0.000 0.847 162 S CB 0.335 63.493 63.200 -0.070 0.000 1.079 162 S HN 1.577 nan 8.310 nan 0.000 0.452 163 c N 3.081 121.704 118.600 0.039 0.000 2.712 163 c HA 0.809 5.380 4.570 0.001 0.000 0.308 163 c C -0.003 174.099 174.090 0.020 0.000 1.201 163 c CA -1.047 55.307 56.329 0.041 0.000 1.554 163 c CB 0.568 43.117 42.510 0.065 0.000 2.117 163 c HN 1.016 nan 8.230 nan 0.000 0.480 164 Q N 2.147 121.957 119.800 0.016 0.000 2.354 164 Q HA 0.166 4.507 4.340 0.001 0.000 0.310 164 Q C -0.100 175.900 176.000 -0.000 0.000 1.104 164 Q CA 0.556 56.363 55.803 0.006 0.000 0.968 164 Q CB 0.699 29.442 28.738 0.007 0.000 1.251 164 Q HN 0.706 nan 8.270 nan 0.000 0.411 165 K N 0.918 121.313 120.400 -0.008 0.000 2.244 165 K HA 0.136 4.456 4.320 0.001 0.000 0.242 165 K C -0.517 176.074 176.600 -0.016 0.000 1.082 165 K CA -0.359 55.918 56.287 -0.017 0.000 0.841 165 K CB 0.346 32.834 32.500 -0.019 0.000 1.129 165 K HN 0.613 nan 8.250 nan 0.000 0.516 166 c N 1.535 120.119 118.600 -0.025 0.000 2.345 166 c HA 0.106 4.677 4.570 0.001 0.000 0.323 166 c C -0.238 173.840 174.090 -0.021 0.000 1.276 166 c CA -1.031 55.283 56.329 -0.024 0.000 1.543 166 c CB 0.525 43.009 42.510 -0.042 0.000 2.211 166 c HN 0.722 nan 8.230 nan 0.000 0.493 167 D N 4.270 124.663 120.400 -0.012 0.000 2.772 167 D HA -0.054 4.586 4.640 0.001 0.000 0.227 167 D C -1.368 174.924 176.300 -0.015 0.000 1.114 167 D CA -0.714 53.281 54.000 -0.009 0.000 0.832 167 D CB 0.729 41.527 40.800 -0.003 0.000 1.154 167 D HN 0.299 nan 8.370 nan 0.000 0.514 168 P HA -0.148 nan 4.420 nan 0.000 0.222 168 P C 1.292 178.583 177.300 -0.015 0.000 1.142 168 P CA 0.888 63.977 63.100 -0.017 0.000 0.788 168 P CB 0.158 31.850 31.700 -0.014 0.000 0.767 169 S N -1.747 113.946 115.700 -0.011 0.000 2.442 169 S HA -0.106 4.364 4.470 0.001 0.000 0.236 169 S C 0.769 175.362 174.600 -0.011 0.000 1.007 169 S CA 0.273 58.468 58.200 -0.008 0.000 0.965 169 S CB -0.922 62.276 63.200 -0.004 0.000 0.773 169 S HN 0.130 nan 8.310 nan 0.000 0.504 170 c N 3.058 121.649 118.600 -0.016 0.000 2.632 170 c HA 0.320 4.891 4.570 0.001 0.000 0.415 170 c C -0.744 173.327 174.090 -0.031 0.000 1.332 170 c CA -1.449 54.866 56.329 -0.023 0.000 1.874 170 c CB 0.409 42.898 42.510 -0.034 0.000 2.596 170 c HN 0.474 nan 8.230 nan 0.000 0.590 171 P HA -0.151 nan 4.420 nan 0.000 0.215 171 P C 0.555 177.830 177.300 -0.041 0.000 1.113 171 P CA 0.874 63.955 63.100 -0.032 0.000 0.888 171 P CB 0.078 31.759 31.700 -0.031 0.000 0.553 172 N N -0.601 118.069 118.700 -0.049 0.000 2.715 172 N HA 0.113 4.853 4.740 0.001 0.000 0.254 172 N C 0.966 176.432 175.510 -0.073 0.000 1.306 172 N CA 1.010 54.029 53.050 -0.053 0.000 0.956 172 N CB -1.245 37.212 38.487 -0.051 0.000 1.296 172 N HN 0.473 nan 8.380 nan 0.000 0.512 173 G N -1.191 107.567 108.800 -0.071 0.000 2.347 173 G HA2 -0.323 3.637 3.960 0.001 0.000 0.247 173 G HA3 -0.323 3.637 3.960 0.001 0.000 0.247 173 G C 0.303 175.131 174.900 -0.119 0.000 1.037 173 G CA 0.305 45.353 45.100 -0.085 0.000 0.622 173 G HN 0.464 nan 8.290 nan 0.000 0.521 174 S N 0.769 116.382 115.700 -0.145 0.000 2.642 174 S HA 0.366 4.836 4.470 0.001 0.000 0.308 174 S C 0.561 175.040 174.600 -0.202 0.000 1.255 174 S CA 0.731 58.799 58.200 -0.218 0.000 1.057 174 S CB 0.174 63.243 63.200 -0.217 0.000 0.785 174 S HN 1.916 nan 8.310 nan 0.000 0.500 175 c N 1.654 120.082 118.600 -0.287 0.000 3.218 175 c HA 0.457 5.028 4.570 0.001 0.000 0.420 175 c C 0.045 174.012 174.090 -0.206 0.000 0.987 175 c CA -1.447 54.780 56.329 -0.170 0.000 1.196 175 c CB -0.570 41.894 42.510 -0.077 0.000 1.576 175 c HN 0.962 nan 8.230 nan 0.000 0.594 176 W N 2.571 123.825 121.300 -0.076 0.000 2.576 176 W HA 0.471 5.131 4.660 0.001 0.000 0.275 176 W C 1.372 177.879 176.519 -0.020 0.000 1.241 176 W CA 1.448 58.763 57.345 -0.050 0.000 1.328 176 W CB 0.054 29.484 29.460 -0.050 0.000 1.092 176 W HN 1.160 nan 8.180 nan 0.000 0.586 177 G N -1.164 107.758 108.800 0.203 0.000 3.247 177 G HA2 0.585 4.545 3.960 0.001 0.000 0.199 177 G HA3 0.585 4.545 3.960 0.001 0.000 0.199 177 G C -0.026 174.913 174.900 0.065 0.000 1.172 177 G CA 0.074 45.245 45.100 0.117 0.000 0.844 177 G HN 0.052 nan 8.290 nan 0.000 0.619 178 A N -1.174 121.675 122.820 0.049 0.000 2.195 178 A HA 0.747 5.068 4.320 0.001 0.000 0.212 178 A C 1.691 179.290 177.584 0.024 0.000 2.368 178 A CA 1.290 53.345 52.037 0.029 0.000 1.424 178 A CB -0.763 18.252 19.000 0.025 0.000 1.095 178 A HN 1.389 nan 8.150 nan 0.000 0.516 179 G N -0.838 107.974 108.800 0.020 0.000 2.522 179 G HA2 0.317 4.277 3.960 0.001 0.000 0.223 179 G HA3 0.317 4.277 3.960 0.001 0.000 0.223 179 G C -0.114 174.796 174.900 0.017 0.000 1.565 179 G CA 0.364 45.473 45.100 0.015 0.000 1.053 179 G HN 0.657 nan 8.290 nan 0.000 0.547 180 E N 0.428 120.636 120.200 0.012 0.000 2.216 180 E HA -0.193 4.158 4.350 0.001 0.000 0.219 180 E C -0.171 176.438 176.600 0.014 0.000 1.317 180 E CA 0.512 56.918 56.400 0.010 0.000 0.716 180 E CB -0.819 28.885 29.700 0.007 0.000 1.135 180 E HN 0.494 nan 8.360 nan 0.000 0.359 181 E N -1.222 118.987 120.200 0.015 0.000 2.162 181 E HA -0.263 4.087 4.350 0.001 0.000 0.209 181 E C -0.306 176.313 176.600 0.032 0.000 1.328 181 E CA 0.892 57.303 56.400 0.019 0.000 0.712 181 E CB -1.520 28.188 29.700 0.013 0.000 1.107 181 E HN 0.489 nan 8.360 nan 0.000 0.347 182 N N -0.187 118.540 118.700 0.045 0.000 2.585 182 N HA -0.036 4.704 4.740 0.001 0.000 0.213 182 N C -0.113 175.477 175.510 0.133 0.000 1.385 182 N CA 0.346 53.446 53.050 0.082 0.000 0.871 182 N CB -0.169 38.375 38.487 0.094 0.000 1.154 182 N HN 0.304 nan 8.380 nan 0.000 0.474 183 c N 0.264 118.916 118.600 0.086 0.000 2.604 183 c HA 0.108 4.678 4.570 0.001 0.000 0.396 183 c C 1.228 175.395 174.090 0.129 0.000 1.282 183 c CA -0.988 55.386 56.329 0.074 0.000 2.292 183 c CB 0.263 42.789 42.510 0.027 0.000 2.633 183 c HN 0.467 nan 8.230 nan 0.000 0.620 184 Q N 1.994 121.848 119.800 0.090 0.000 2.301 184 Q HA 0.055 4.395 4.340 0.001 0.000 0.262 184 Q C -0.315 175.729 176.000 0.074 0.000 1.168 184 Q CA 0.445 56.326 55.803 0.130 0.000 0.908 184 Q CB 0.129 28.834 28.738 -0.056 0.000 1.348 184 Q HN 0.580 nan 8.270 nan 0.000 0.441 185 K N 5.709 126.161 120.400 0.087 0.000 2.237 185 K HA 0.122 4.442 4.320 0.001 0.000 0.283 185 K C -0.133 176.490 176.600 0.038 0.000 1.080 185 K CA -0.057 56.256 56.287 0.043 0.000 0.965 185 K CB -0.247 32.270 32.500 0.029 0.000 1.098 185 K HN 0.547 nan 8.250 nan 0.000 0.434 186 L N 0.634 121.870 121.223 0.023 0.000 2.312 186 L HA 0.521 4.862 4.340 0.001 0.000 0.281 186 L C 0.018 176.900 176.870 0.020 0.000 1.070 186 L CA -0.523 54.328 54.840 0.019 0.000 0.805 186 L CB 1.285 43.345 42.059 0.003 0.000 1.174 186 L HN 0.456 nan 8.230 nan 0.000 0.434 187 T N -0.586 113.984 114.554 0.027 0.000 4.003 187 T HA 0.305 4.655 4.350 0.001 0.000 0.239 187 T C 0.009 174.730 174.700 0.034 0.000 0.992 187 T CA -0.535 61.582 62.100 0.028 0.000 1.317 187 T CB 0.567 69.452 68.868 0.028 0.000 0.940 187 T HN 0.992 nan 8.240 nan 0.000 0.593 188 K N 1.035 121.455 120.400 0.034 0.000 3.095 188 K HA 0.299 4.619 4.320 0.001 0.000 0.220 188 K C 1.498 178.119 176.600 0.034 0.000 1.926 188 K CA 0.425 56.736 56.287 0.040 0.000 1.367 188 K CB -0.052 32.480 32.500 0.052 0.000 2.243 188 K HN 0.271 nan 8.250 nan 0.000 0.554 189 I N 0.690 121.280 120.570 0.033 0.000 2.916 189 I HA 0.107 4.278 4.170 0.001 0.000 0.267 189 I C 0.424 176.552 176.117 0.020 0.000 1.263 189 I CA 0.467 61.784 61.300 0.028 0.000 1.471 189 I CB 0.045 38.061 38.000 0.027 0.000 1.089 189 I HN -0.001 nan 8.210 nan 0.000 0.468 190 I N 2.848 123.429 120.570 0.019 0.000 2.517 190 I HA 0.287 4.457 4.170 0.001 0.000 0.289 190 I C -0.766 175.360 176.117 0.016 0.000 1.149 190 I CA -0.172 61.137 61.300 0.014 0.000 1.189 190 I CB -0.327 37.679 38.000 0.011 0.000 1.641 190 I HN 0.295 nan 8.210 nan 0.000 0.560 191 c N 2.112 120.722 118.600 0.016 0.000 2.985 191 c HA 0.659 5.229 4.570 0.001 0.000 0.332 191 c C 0.806 174.904 174.090 0.014 0.000 1.164 191 c CA -1.168 55.171 56.329 0.016 0.000 1.347 191 c CB 1.523 44.045 42.510 0.021 0.000 1.764 191 c HN 0.706 nan 8.230 nan 0.000 0.489 192 A N 2.736 125.563 122.820 0.011 0.000 2.580 192 A HA 0.141 4.461 4.320 0.001 0.000 0.244 192 A C 1.548 179.138 177.584 0.009 0.000 1.045 192 A CA 0.897 52.940 52.037 0.009 0.000 0.761 192 A CB 0.173 19.178 19.000 0.007 0.000 0.962 192 A HN 1.084 nan 8.150 nan 0.000 0.512 193 Q N 2.336 122.141 119.800 0.009 0.000 2.167 193 Q HA -0.311 4.030 4.340 0.001 0.000 0.218 193 Q C 0.213 176.218 176.000 0.008 0.000 1.033 193 Q CA 2.202 58.010 55.803 0.009 0.000 0.918 193 Q CB -0.476 28.266 28.738 0.007 0.000 1.019 193 Q HN 0.858 nan 8.270 nan 0.000 0.417 194 Q N 0.198 120.002 119.800 0.006 0.000 2.569 194 Q HA 0.428 4.769 4.340 0.001 0.000 0.226 194 Q C -1.521 174.481 176.000 0.003 0.000 1.136 194 Q CA -0.600 55.206 55.803 0.004 0.000 0.947 194 Q CB 1.373 30.112 28.738 0.001 0.000 1.218 194 Q HN 0.241 nan 8.270 nan 0.000 0.547 195 c N 0.381 118.984 118.600 0.005 0.000 2.698 195 c HA 0.265 4.835 4.570 0.001 0.000 0.309 195 c C 1.694 175.787 174.090 0.005 0.000 1.186 195 c CA -0.458 55.874 56.329 0.004 0.000 1.474 195 c CB 2.102 44.619 42.510 0.010 0.000 2.020 195 c HN 0.868 nan 8.230 nan 0.000 0.474 196 S N 1.808 117.505 115.700 -0.004 0.000 2.427 196 S HA -0.108 4.363 4.470 0.001 0.000 0.231 196 S C 1.318 175.929 174.600 0.019 0.000 1.045 196 S CA 2.293 60.489 58.200 -0.005 0.000 1.154 196 S CB -0.330 62.852 63.200 -0.030 0.000 1.093 196 S HN 1.073 nan 8.310 nan 0.000 0.422 197 G N 0.375 109.195 108.800 0.032 0.000 2.830 197 G HA2 0.393 4.353 3.960 0.001 0.000 0.177 197 G HA3 0.393 4.353 3.960 0.001 0.000 0.177 197 G C -0.583 174.344 174.900 0.044 0.000 1.649 197 G CA -0.669 44.458 45.100 0.045 0.000 0.867 197 G HN 0.291 nan 8.290 nan 0.000 0.780 198 R N -0.158 120.373 120.500 0.051 0.000 2.500 198 R HA 0.582 4.922 4.340 0.001 0.000 0.277 198 R C -0.482 175.843 176.300 0.042 0.000 1.026 198 R CA -0.300 55.828 56.100 0.046 0.000 1.058 198 R CB 1.446 31.776 30.300 0.049 0.000 1.078 198 R HN 0.662 nan 8.270 nan 0.000 0.509 199 c N -0.126 118.495 118.600 0.035 0.000 2.707 199 c HA 0.564 5.134 4.570 0.001 0.000 0.313 199 c C 1.028 175.134 174.090 0.027 0.000 1.209 199 c CA -1.088 55.259 56.329 0.030 0.000 1.635 199 c CB 1.753 44.277 42.510 0.024 0.000 2.206 199 c HN 1.068 nan 8.230 nan 0.000 0.485 200 R N 1.403 121.918 120.500 0.025 0.000 2.334 200 R HA 0.566 4.907 4.340 0.001 0.000 0.216 200 R C 0.582 176.892 176.300 0.017 0.000 0.905 200 R CA 0.543 56.655 56.100 0.021 0.000 1.064 200 R CB 0.139 30.451 30.300 0.021 0.000 1.046 200 R HN 1.022 nan 8.270 nan 0.000 0.508 201 G N 0.034 108.844 108.800 0.016 0.000 2.687 201 G HA2 0.159 4.119 3.960 0.001 0.000 0.291 201 G HA3 0.159 4.119 3.960 0.001 0.000 0.291 201 G C -0.701 174.206 174.900 0.012 0.000 1.420 201 G CA -0.659 44.449 45.100 0.013 0.000 0.796 201 G HN -0.074 nan 8.290 nan 0.000 0.485 202 K N 0.035 120.441 120.400 0.010 0.000 2.166 202 K HA 0.079 4.399 4.320 0.001 0.000 0.201 202 K C 1.379 177.984 176.600 0.008 0.000 1.052 202 K CA 0.785 57.078 56.287 0.009 0.000 0.969 202 K CB -0.393 32.111 32.500 0.006 0.000 0.761 202 K HN 0.425 nan 8.250 nan 0.000 0.459 203 S N 1.622 117.327 115.700 0.008 0.000 2.566 203 S HA 0.055 4.525 4.470 0.001 0.000 0.280 203 S C -2.009 172.595 174.600 0.007 0.000 1.343 203 S CA -0.868 57.336 58.200 0.007 0.000 1.036 203 S CB 0.773 63.977 63.200 0.006 0.000 0.866 203 S HN 0.094 nan 8.310 nan 0.000 0.526 204 P HA 0.126 nan 4.420 nan 0.000 0.245 204 P C 0.510 177.813 177.300 0.004 0.000 1.212 204 P CA 0.305 63.408 63.100 0.005 0.000 0.774 204 P CB 0.242 31.944 31.700 0.004 0.000 0.999 205 S N -1.290 114.414 115.700 0.005 0.000 2.603 205 S HA 0.104 4.574 4.470 0.001 0.000 0.232 205 S C 0.758 175.363 174.600 0.008 0.000 1.016 205 S CA -0.210 57.994 58.200 0.006 0.000 0.976 205 S CB -0.331 62.872 63.200 0.005 0.000 0.921 205 S HN -0.158 nan 8.310 nan 0.000 0.516 206 D N 1.550 121.956 120.400 0.010 0.000 2.395 206 D HA 0.248 4.889 4.640 0.001 0.000 0.213 206 D C 0.554 176.864 176.300 0.017 0.000 1.110 206 D CA -0.037 53.970 54.000 0.013 0.000 0.835 206 D CB 0.376 41.183 40.800 0.012 0.000 0.965 206 D HN 0.563 nan 8.370 nan 0.000 0.505 207 c N -0.248 118.362 118.600 0.016 0.000 2.398 207 c HA 0.658 5.228 4.570 0.001 0.000 0.364 207 c C 1.392 175.499 174.090 0.029 0.000 1.219 207 c CA -1.454 54.888 56.329 0.021 0.000 2.312 207 c CB 0.307 42.828 42.510 0.018 0.000 2.428 207 c HN 0.219 nan 8.230 nan 0.000 0.564 208 c N 1.969 120.594 118.600 0.043 0.000 2.713 208 c HA 0.227 4.798 4.570 0.001 0.000 0.330 208 c C 1.067 175.210 174.090 0.089 0.000 1.416 208 c CA 0.006 56.377 56.329 0.070 0.000 2.351 208 c CB -0.594 41.961 42.510 0.075 0.000 2.388 208 c HN 0.981 nan 8.230 nan 0.000 0.729 209 H N 2.614 121.697 119.070 0.022 0.000 2.707 209 H HA 0.033 4.589 4.556 0.001 0.000 0.359 209 H C 1.010 176.355 175.328 0.027 0.000 1.113 209 H CA 0.468 56.530 56.048 0.024 0.000 1.422 209 H CB 0.527 30.304 29.762 0.025 0.000 1.443 209 H HN 0.736 nan 8.280 nan 0.000 0.591 210 N N 3.313 122.046 118.700 0.054 0.000 2.617 210 N HA -0.115 4.625 4.740 0.001 0.000 0.198 210 N C -0.092 175.580 175.510 0.270 0.000 1.317 210 N CA 0.359 53.483 53.050 0.123 0.000 0.892 210 N CB 0.298 38.788 38.487 0.005 0.000 1.041 210 N HN 0.487 nan 8.380 nan 0.000 0.450 211 Q N 0.398 120.487 119.800 0.482 0.000 2.215 211 Q HA 0.267 4.607 4.340 0.001 0.000 0.337 211 Q C -1.171 174.874 176.000 0.076 0.000 0.887 211 Q CA -0.184 55.745 55.803 0.211 0.000 1.134 211 Q CB 0.584 29.382 28.738 0.100 0.000 1.303 211 Q HN 0.327 nan 8.270 nan 0.000 0.421 212 c N -0.325 118.333 118.600 0.096 0.000 3.080 212 c HA 0.950 5.520 4.570 0.001 0.000 0.307 212 c C -0.111 174.010 174.090 0.051 0.000 1.311 212 c CA -0.905 55.456 56.329 0.053 0.000 1.533 212 c CB 1.916 44.456 42.510 0.051 0.000 1.970 212 c HN 0.523 nan 8.230 nan 0.000 0.467 213 A N 0.815 123.656 122.820 0.035 0.000 2.355 213 A HA 0.863 5.184 4.320 0.001 0.000 0.324 213 A C 0.521 178.121 177.584 0.027 0.000 1.117 213 A CA 0.618 52.674 52.037 0.032 0.000 0.785 213 A CB 0.838 19.852 19.000 0.023 0.000 1.254 213 A HN 2.703 nan 8.150 nan 0.000 0.453 214 A N 0.811 123.649 122.820 0.031 0.000 1.293 214 A HA 0.163 4.483 4.320 0.001 0.000 0.322 214 A C 1.839 179.439 177.584 0.027 0.000 1.764 214 A CA 2.350 54.401 52.037 0.025 0.000 1.092 214 A CB -1.848 17.158 19.000 0.010 0.000 1.471 214 A HN 2.945 nan 8.150 nan 0.000 0.722 215 G N -3.130 105.684 108.800 0.024 0.000 2.490 215 G HA2 0.655 4.615 3.960 0.001 0.000 0.308 215 G HA3 0.655 4.615 3.960 0.001 0.000 0.308 215 G C -0.378 174.538 174.900 0.026 0.000 1.286 215 G CA 0.617 45.733 45.100 0.026 0.000 0.825 215 G HN 2.576 nan 8.290 nan 0.000 0.479 216 c N -1.896 116.720 118.600 0.027 0.000 3.173 216 c HA 0.837 5.408 4.570 0.001 0.000 0.310 216 c C 1.537 175.641 174.090 0.022 0.000 1.306 216 c CA 0.446 56.791 56.329 0.027 0.000 1.426 216 c CB 1.029 43.564 42.510 0.042 0.000 1.800 216 c HN 1.372 nan 8.230 nan 0.000 0.470 217 T N -0.249 114.317 114.554 0.020 0.000 2.939 217 T HA 0.397 4.748 4.350 0.001 0.000 0.254 217 T C 0.859 175.572 174.700 0.020 0.000 1.041 217 T CA 1.250 63.360 62.100 0.016 0.000 1.142 217 T CB -0.519 68.357 68.868 0.013 0.000 0.874 217 T HN 1.528 nan 8.240 nan 0.000 0.452 218 G N 1.350 110.165 108.800 0.025 0.000 2.887 218 G HA2 0.599 4.559 3.960 0.001 0.000 0.277 218 G HA3 0.599 4.559 3.960 0.001 0.000 0.277 218 G C -2.327 172.598 174.900 0.041 0.000 1.346 218 G CA -1.381 43.737 45.100 0.030 0.000 1.058 218 G HN 0.123 nan 8.290 nan 0.000 0.535 219 P HA 0.265 nan 4.420 nan 0.000 0.274 219 P C 0.417 177.768 177.300 0.084 0.000 1.352 219 P CA -0.177 62.956 63.100 0.055 0.000 0.947 219 P CB 0.979 32.699 31.700 0.034 0.000 1.437 220 R N 1.458 122.014 120.500 0.093 0.000 2.603 220 R HA 0.206 4.546 4.340 0.001 0.000 0.225 220 R C 1.643 178.052 176.300 0.182 0.000 1.300 220 R CA 0.073 56.254 56.100 0.135 0.000 1.075 220 R CB 0.141 30.490 30.300 0.082 0.000 1.663 220 R HN -0.129 nan 8.270 nan 0.000 0.546 221 E N -1.464 118.824 120.200 0.146 0.000 2.340 221 E HA 0.053 4.403 4.350 0.001 0.000 0.194 221 E C 1.025 177.578 176.600 -0.077 0.000 0.996 221 E CA 0.587 56.925 56.400 -0.104 0.000 0.869 221 E CB 0.195 29.813 29.700 -0.136 0.000 0.835 221 E HN 0.305 nan 8.360 nan 0.000 0.493 222 S N 0.334 116.030 115.700 -0.008 0.000 2.548 222 S HA 0.002 4.473 4.470 0.001 0.000 0.215 222 S C 0.146 174.747 174.600 0.002 0.000 0.976 222 S CA -0.117 58.080 58.200 -0.005 0.000 0.908 222 S CB 0.100 63.305 63.200 0.008 0.000 0.781 222 S HN 0.105 nan 8.310 nan 0.000 0.519 223 D N 1.713 122.120 120.400 0.012 0.000 3.133 223 D HA 0.306 4.947 4.640 0.001 0.000 0.288 223 D C -0.907 175.403 176.300 0.016 0.000 1.346 223 D CA -0.056 53.955 54.000 0.017 0.000 0.934 223 D CB 0.112 40.928 40.800 0.028 0.000 1.042 223 D HN 0.200 nan 8.370 nan 0.000 0.506 224 c N 0.436 119.038 118.600 0.003 0.000 2.507 224 c HA 0.278 4.848 4.570 0.001 0.000 0.319 224 c C 1.693 175.784 174.090 0.003 0.000 1.208 224 c CA -0.645 55.687 56.329 0.004 0.000 1.619 224 c CB 1.628 44.130 42.510 -0.013 0.000 2.230 224 c HN 0.325 nan 8.230 nan 0.000 0.492 225 L N 2.906 124.133 121.223 0.007 0.000 2.046 225 L HA 0.028 4.369 4.340 0.001 0.000 0.208 225 L C 0.671 177.541 176.870 0.001 0.000 1.077 225 L CA 1.845 56.687 54.840 0.003 0.000 0.747 225 L CB -0.370 41.692 42.059 0.004 0.000 0.896 225 L HN 0.713 nan 8.230 nan 0.000 0.432 226 V N -5.474 114.442 119.914 0.003 0.000 2.775 226 V HA 0.253 4.373 4.120 0.001 0.000 0.295 226 V C -0.358 175.738 176.094 0.004 0.000 1.226 226 V CA -1.725 60.576 62.300 0.002 0.000 0.934 226 V CB 0.148 31.972 31.823 0.002 0.000 1.056 226 V HN -0.084 nan 8.190 nan 0.000 0.436 227 c N 3.613 122.214 118.600 0.002 0.000 2.563 227 c HA 0.176 4.747 4.570 0.001 0.000 0.411 227 c C 2.158 176.260 174.090 0.021 0.000 1.386 227 c CA 0.623 56.956 56.329 0.008 0.000 1.703 227 c CB -0.153 42.367 42.510 0.016 0.000 2.596 227 c HN 1.151 nan 8.230 nan 0.000 0.605 228 R N 2.023 122.545 120.500 0.036 0.000 2.090 228 R HA -0.035 4.306 4.340 0.001 0.000 0.228 228 R C 1.837 178.178 176.300 0.069 0.000 1.110 228 R CA 1.614 57.744 56.100 0.051 0.000 0.973 228 R CB 0.015 30.356 30.300 0.069 0.000 0.869 228 R HN 0.818 nan 8.270 nan 0.000 0.440 229 K N -2.417 118.048 120.400 0.108 0.000 2.644 229 K HA 0.209 4.530 4.320 0.001 0.000 0.231 229 K C -0.642 175.999 176.600 0.069 0.000 1.493 229 K CA -0.279 56.096 56.287 0.146 0.000 0.836 229 K CB 0.379 33.086 32.500 0.344 0.000 1.853 229 K HN -0.126 nan 8.250 nan 0.000 0.390 230 F N 1.433 121.396 119.950 0.021 0.000 2.440 230 F HA 0.469 4.996 4.527 0.001 0.000 0.328 230 F C 0.168 175.973 175.800 0.008 0.000 1.070 230 F CA -0.660 57.352 58.000 0.019 0.000 1.011 230 F CB 1.321 40.335 39.000 0.024 0.000 1.226 230 F HN -0.054 nan 8.300 nan 0.000 0.491 231 R N 2.080 122.689 120.500 0.182 0.000 2.358 231 R HA 0.166 4.507 4.340 0.001 0.000 0.309 231 R C -1.496 174.872 176.300 0.113 0.000 1.026 231 R CA -0.421 55.740 56.100 0.102 0.000 0.909 231 R CB 0.556 30.886 30.300 0.050 0.000 1.153 231 R HN 0.638 nan 8.270 nan 0.000 0.515 232 D N 4.261 124.717 120.400 0.092 0.000 2.456 232 D HA 0.073 4.713 4.640 0.001 0.000 0.219 232 D C 0.532 176.861 176.300 0.048 0.000 1.126 232 D CA 0.221 54.266 54.000 0.076 0.000 0.890 232 D CB 0.680 41.515 40.800 0.057 0.000 1.025 232 D HN 0.724 nan 8.370 nan 0.000 0.511 233 E N 2.984 123.213 120.200 0.048 0.000 3.211 233 E HA -0.342 4.009 4.350 0.001 0.000 0.393 233 E C -0.268 176.346 176.600 0.023 0.000 1.515 233 E CA 2.344 58.763 56.400 0.032 0.000 1.385 233 E CB -1.305 28.411 29.700 0.027 0.000 1.616 233 E HN 0.431 nan 8.360 nan 0.000 0.489 234 A N 0.521 123.351 122.820 0.016 0.000 2.708 234 A HA 0.508 4.829 4.320 0.001 0.000 0.293 234 A C 0.171 177.757 177.584 0.003 0.000 1.303 234 A CA 0.942 52.984 52.037 0.010 0.000 0.949 234 A CB -0.378 18.627 19.000 0.008 0.000 1.121 234 A HN 0.623 nan 8.150 nan 0.000 0.542 235 T N -4.247 110.309 114.554 0.003 0.000 2.865 235 T HA 0.530 4.880 4.350 0.001 0.000 0.294 235 T C -0.781 173.906 174.700 -0.021 0.000 1.119 235 T CA -0.756 61.334 62.100 -0.017 0.000 1.007 235 T CB 1.418 70.278 68.868 -0.014 0.000 1.225 235 T HN 0.144 nan 8.240 nan 0.000 0.515 236 c N 2.036 120.592 118.600 -0.074 0.000 2.281 236 c HA 0.715 5.285 4.570 0.001 0.000 0.323 236 c C 0.143 174.189 174.090 -0.073 0.000 1.270 236 c CA -0.756 55.533 56.329 -0.066 0.000 1.559 236 c CB -0.430 42.012 42.510 -0.113 0.000 2.239 236 c HN 0.829 nan 8.230 nan 0.000 0.488 237 K N 1.758 122.176 120.400 0.030 0.000 2.328 237 K HA 0.266 4.587 4.320 0.001 0.000 0.246 237 K C 0.530 177.175 176.600 0.074 0.000 0.955 237 K CA -0.621 55.685 56.287 0.031 0.000 0.817 237 K CB 1.936 34.443 32.500 0.012 0.000 1.208 237 K HN 0.600 nan 8.250 nan 0.000 0.432 238 D N 1.003 121.418 120.400 0.025 0.000 2.110 238 D HA -0.079 4.561 4.640 0.001 0.000 0.202 238 D C 0.240 176.414 176.300 -0.209 0.000 0.975 238 D CA 1.414 55.429 54.000 0.026 0.000 0.839 238 D CB 0.545 41.367 40.800 0.037 0.000 0.996 238 D HN 0.661 nan 8.370 nan 0.000 0.464 239 T N -1.822 112.568 114.554 -0.272 0.000 2.924 239 T HA 0.528 4.879 4.350 0.001 0.000 0.291 239 T C -0.528 173.951 174.700 -0.369 0.000 1.045 239 T CA -0.893 60.934 62.100 -0.456 0.000 1.015 239 T CB 1.653 70.386 68.868 -0.225 0.000 1.103 239 T HN 0.055 nan 8.240 nan 0.000 0.496 240 c N 2.984 121.355 118.600 -0.381 0.000 2.355 240 c HA 0.613 5.184 4.570 0.001 0.000 0.332 240 c C -2.276 171.760 174.090 -0.091 0.000 1.255 240 c CA -1.192 55.032 56.329 -0.175 0.000 1.792 240 c CB 0.534 42.985 42.510 -0.098 0.000 2.300 240 c HN 0.799 nan 8.230 nan 0.000 0.515 241 P HA -0.072 nan 4.420 nan 0.000 0.251 241 P C -2.441 174.827 177.300 -0.054 0.000 1.116 241 P CA 0.149 63.226 63.100 -0.039 0.000 0.776 241 P CB -0.220 31.468 31.700 -0.020 0.000 0.701 242 P HA 0.068 nan 4.420 nan 0.000 0.271 242 P C 0.773 178.020 177.300 -0.088 0.000 1.218 242 P CA 0.021 63.085 63.100 -0.059 0.000 0.780 242 P CB 0.522 32.195 31.700 -0.045 0.000 0.901 243 L N 0.775 121.917 121.223 -0.135 0.000 2.610 243 L HA 0.107 4.448 4.340 0.001 0.000 0.232 243 L C 0.658 177.478 176.870 -0.085 0.000 1.149 243 L CA 0.951 55.704 54.840 -0.145 0.000 0.872 243 L CB -0.402 41.520 42.059 -0.227 0.000 0.992 243 L HN 0.347 nan 8.230 nan 0.000 0.447 244 M N 0.568 120.122 119.600 -0.077 0.000 2.322 244 M HA 0.421 4.902 4.480 0.001 0.000 0.286 244 M C -1.187 175.095 176.300 -0.029 0.000 1.111 244 M CA -0.180 55.091 55.300 -0.049 0.000 0.941 244 M CB 2.992 35.557 32.600 -0.058 0.000 1.671 244 M HN -0.136 nan 8.290 nan 0.000 0.470 245 L N 2.301 123.521 121.223 -0.004 0.000 2.365 245 L HA 0.507 4.848 4.340 0.001 0.000 0.273 245 L C -0.832 176.076 176.870 0.063 0.000 1.000 245 L CA -0.991 53.861 54.840 0.020 0.000 0.819 245 L CB 2.172 44.231 42.059 -0.000 0.000 1.284 245 L HN 0.577 nan 8.230 nan 0.000 0.418 246 Y N 2.991 123.260 120.300 -0.052 0.000 2.397 246 Y HA 0.041 4.592 4.550 0.001 0.000 0.335 246 Y C 0.245 176.108 175.900 -0.062 0.000 1.213 246 Y CA -0.274 57.795 58.100 -0.052 0.000 1.391 246 Y CB 0.657 39.085 38.460 -0.052 0.000 1.293 246 Y HN 0.565 nan 8.280 nan 0.000 0.557 247 N N 7.381 125.668 118.700 -0.689 0.000 2.609 247 N HA 0.251 4.991 4.740 0.001 0.000 0.234 247 N C -2.216 172.760 175.510 -0.890 0.000 1.001 247 N CA -1.906 50.798 53.050 -0.577 0.000 0.926 247 N CB 1.139 39.424 38.487 -0.335 0.000 1.130 247 N HN 0.402 nan 8.380 nan 0.000 0.510 248 P HA -0.211 nan 4.420 nan 0.000 0.216 248 P C 1.224 178.141 177.300 -0.638 0.000 1.167 248 P CA 1.597 64.342 63.100 -0.593 0.000 0.914 248 P CB 0.209 31.739 31.700 -0.283 0.000 0.793 249 T N -1.347 112.981 114.554 -0.376 0.000 2.720 249 T HA -0.131 4.220 4.350 0.001 0.000 0.268 249 T C 1.628 176.230 174.700 -0.163 0.000 1.037 249 T CA 2.216 64.176 62.100 -0.234 0.000 1.144 249 T CB -1.011 67.779 68.868 -0.130 0.000 0.864 249 T HN 0.343 nan 8.240 nan 0.000 0.444 250 T N -2.033 112.407 114.554 -0.190 0.000 3.107 250 T HA 0.071 4.421 4.350 0.001 0.000 0.249 250 T C 0.631 175.357 174.700 0.045 0.000 1.096 250 T CA -0.102 61.969 62.100 -0.049 0.000 1.012 250 T CB -0.578 68.251 68.868 -0.065 0.000 0.977 250 T HN 0.443 nan 8.240 nan 0.000 0.527 251 Y N 1.236 121.392 120.300 -0.240 0.000 3.721 251 Y HA -0.193 4.357 4.550 0.001 0.000 0.218 251 Y C 0.583 176.487 175.900 0.007 0.000 1.188 251 Y CA 0.495 58.526 58.100 -0.115 0.000 1.607 251 Y CB -2.134 36.360 38.460 0.057 0.000 1.496 251 Y HN 0.411 nan 8.280 nan 0.000 0.626 252 Q N -0.781 118.981 119.800 -0.064 0.000 2.605 252 Q HA 0.604 4.945 4.340 0.001 0.000 0.296 252 Q C -0.067 175.946 176.000 0.021 0.000 1.056 252 Q CA -0.966 54.875 55.803 0.063 0.000 0.778 252 Q CB 1.685 30.444 28.738 0.034 0.000 1.497 252 Q HN 0.174 nan 8.270 nan 0.000 0.443 253 M N 1.547 121.199 119.600 0.087 0.000 2.180 253 M HA 0.358 4.839 4.480 0.001 0.000 0.350 253 M C -0.843 175.466 176.300 0.016 0.000 1.125 253 M CA -0.470 54.875 55.300 0.075 0.000 1.031 253 M CB 1.066 33.721 32.600 0.092 0.000 1.623 253 M HN 0.348 nan 8.290 nan 0.000 0.451 254 D N 2.035 122.432 120.400 -0.004 0.000 2.228 254 D HA 0.414 5.055 4.640 0.001 0.000 0.247 254 D C -0.252 176.041 176.300 -0.011 0.000 0.995 254 D CA -0.469 53.522 54.000 -0.016 0.000 0.903 254 D CB 1.952 42.731 40.800 -0.034 0.000 1.205 254 D HN 0.217 nan 8.370 nan 0.000 0.459 255 V N 2.457 122.365 119.914 -0.010 0.000 2.788 255 V HA -0.054 4.066 4.120 0.001 0.000 0.307 255 V C 1.125 177.210 176.094 -0.015 0.000 1.069 255 V CA -0.613 61.681 62.300 -0.010 0.000 1.173 255 V CB -0.139 31.683 31.823 -0.002 0.000 0.925 255 V HN 0.618 nan 8.190 nan 0.000 0.492 256 N N 6.132 124.818 118.700 -0.023 0.000 2.131 256 N HA -0.087 4.653 4.740 0.001 0.000 0.276 256 N C -1.630 173.870 175.510 -0.017 0.000 1.295 256 N CA -0.453 52.579 53.050 -0.030 0.000 0.818 256 N CB 0.369 38.829 38.487 -0.045 0.000 1.049 256 N HN 0.450 nan 8.380 nan 0.000 0.484 257 P HA -0.128 nan 4.420 nan 0.000 0.202 257 P C -0.013 177.284 177.300 -0.004 0.000 1.189 257 P CA 1.491 64.585 63.100 -0.010 0.000 0.921 257 P CB 0.165 31.859 31.700 -0.010 0.000 0.756 258 E N -0.376 119.823 120.200 -0.003 0.000 3.385 258 E HA 0.346 4.697 4.350 0.001 0.000 0.206 258 E C 0.356 176.958 176.600 0.002 0.000 0.997 258 E CA -0.516 55.887 56.400 0.006 0.000 1.278 258 E CB 0.239 29.944 29.700 0.009 0.000 1.165 258 E HN 0.209 nan 8.360 nan 0.000 0.452 259 G N 1.900 110.692 108.800 -0.014 0.000 2.380 259 G HA2 0.065 4.026 3.960 0.001 0.000 0.242 259 G HA3 0.065 4.026 3.960 0.001 0.000 0.242 259 G C 0.044 174.925 174.900 -0.032 0.000 1.298 259 G CA -0.051 45.024 45.100 -0.042 0.000 0.878 259 G HN -0.026 nan 8.290 nan 0.000 0.542 260 K N 1.132 121.510 120.400 -0.036 0.000 2.395 260 K HA 0.323 4.644 4.320 0.001 0.000 0.247 260 K C -1.224 175.370 176.600 -0.009 0.000 0.973 260 K CA -0.869 55.444 56.287 0.043 0.000 0.828 260 K CB 1.850 34.401 32.500 0.085 0.000 1.272 260 K HN 0.473 nan 8.250 nan 0.000 0.439 261 Y N 0.304 120.644 120.300 0.068 0.000 2.307 261 Y HA 0.167 4.717 4.550 0.001 0.000 0.324 261 Y C 0.741 176.721 175.900 0.134 0.000 1.238 261 Y CA 0.056 58.212 58.100 0.094 0.000 1.280 261 Y CB 1.386 39.893 38.460 0.079 0.000 1.248 261 Y HN 0.358 nan 8.280 nan 0.000 0.508 262 S N 2.707 118.589 115.700 0.303 0.000 2.442 262 S HA 0.414 4.884 4.470 0.001 0.000 0.297 262 S C -1.374 173.436 174.600 0.350 0.000 1.131 262 S CA -0.500 57.886 58.200 0.310 0.000 1.092 262 S CB 0.049 63.418 63.200 0.282 0.000 0.998 262 S HN 0.458 nan 8.310 nan 0.000 0.478 263 F N 3.506 123.532 119.950 0.126 0.000 2.810 263 F HA 0.550 5.078 4.527 0.001 0.000 0.373 263 F C 0.602 176.404 175.800 0.002 0.000 1.174 263 F CA 0.435 58.453 58.000 0.029 0.000 1.141 263 F CB -0.034 38.931 39.000 -0.060 0.000 1.420 263 F HN 0.839 nan 8.300 nan 0.000 0.518 264 G N 3.341 111.949 108.800 -0.320 0.000 2.514 264 G HA2 -0.160 3.800 3.960 0.001 0.000 0.265 264 G HA3 -0.160 3.800 3.960 0.001 0.000 0.265 264 G C 0.630 175.343 174.900 -0.311 0.000 1.150 264 G CA 0.121 45.015 45.100 -0.344 0.000 0.959 264 G HN 1.485 nan 8.290 nan 0.000 0.556 265 A N 0.103 122.729 122.820 -0.323 0.000 2.348 265 A HA 0.637 4.957 4.320 0.001 0.000 0.224 265 A C 1.274 178.760 177.584 -0.163 0.000 1.227 265 A CA 1.889 53.633 52.037 -0.487 0.000 0.885 265 A CB -0.402 18.377 19.000 -0.368 0.000 0.933 265 A HN 2.198 nan 8.150 nan 0.000 0.506 266 T N -3.063 111.489 114.554 -0.003 0.000 2.929 266 T HA 0.503 4.853 4.350 0.001 0.000 0.284 266 T C -0.477 174.352 174.700 0.216 0.000 1.014 266 T CA -0.764 61.406 62.100 0.116 0.000 1.051 266 T CB 1.287 70.232 68.868 0.128 0.000 1.028 266 T HN 0.142 nan 8.240 nan 0.000 0.485 267 c N 3.809 122.530 118.600 0.202 0.000 2.271 267 c HA 0.689 5.260 4.570 0.001 0.000 0.323 267 c C 0.714 174.896 174.090 0.153 0.000 1.245 267 c CA -0.963 55.490 56.329 0.206 0.000 1.548 267 c CB -0.657 41.959 42.510 0.176 0.000 2.214 267 c HN 0.914 nan 8.230 nan 0.000 0.477 268 V N 2.177 122.190 119.914 0.165 0.000 2.973 268 V HA 0.505 4.625 4.120 0.001 0.000 0.314 268 V C 0.872 177.047 176.094 0.134 0.000 1.066 268 V CA -0.465 61.892 62.300 0.095 0.000 1.021 268 V CB 1.368 33.192 31.823 0.002 0.000 1.076 268 V HN 0.859 nan 8.190 nan 0.000 0.462 269 K N 0.709 121.155 120.400 0.076 0.000 2.365 269 K HA 0.217 4.537 4.320 0.001 0.000 0.197 269 K C 0.660 177.310 176.600 0.083 0.000 1.042 269 K CA 0.579 56.934 56.287 0.114 0.000 0.987 269 K CB 0.152 32.684 32.500 0.054 0.000 0.779 269 K HN 0.820 nan 8.250 nan 0.000 0.484 270 K N -0.250 120.104 120.400 -0.077 0.000 2.551 270 K HA 0.208 4.528 4.320 0.001 0.000 0.269 270 K C -1.655 174.749 176.600 -0.327 0.000 0.949 270 K CA -0.838 55.264 56.287 -0.309 0.000 0.849 270 K CB 1.760 34.125 32.500 -0.225 0.000 1.411 270 K HN -0.055 nan 8.250 nan 0.000 0.432 271 c N 3.166 121.515 118.600 -0.418 0.000 2.435 271 c HA 0.338 4.908 4.570 0.001 0.000 0.375 271 c C -2.206 171.716 174.090 -0.281 0.000 1.281 271 c CA -1.158 54.996 56.329 -0.290 0.000 1.963 271 c CB 0.111 42.530 42.510 -0.152 0.000 2.490 271 c HN 0.559 nan 8.230 nan 0.000 0.557 272 P HA -0.015 nan 4.420 nan 0.000 0.255 272 P C 1.033 178.275 177.300 -0.097 0.000 1.173 272 P CA 0.541 63.424 63.100 -0.361 0.000 0.780 272 P CB 0.143 31.450 31.700 -0.654 0.000 0.758 273 R N 4.700 125.156 120.500 -0.074 0.000 2.293 273 R HA -0.313 4.027 4.340 0.001 0.000 0.270 273 R C 1.314 177.652 176.300 0.063 0.000 1.192 273 R CA 2.212 58.306 56.100 -0.010 0.000 1.017 273 R CB -0.253 30.037 30.300 -0.016 0.000 0.887 273 R HN 0.539 nan 8.270 nan 0.000 0.480 274 N N -1.025 117.757 118.700 0.136 0.000 2.336 274 N HA -0.084 4.657 4.740 0.001 0.000 0.189 274 N C -0.302 175.343 175.510 0.226 0.000 1.113 274 N CA 0.225 53.375 53.050 0.166 0.000 0.858 274 N CB -0.036 38.544 38.487 0.155 0.000 0.970 274 N HN 0.245 nan 8.380 nan 0.000 0.471 275 Y N -0.148 120.173 120.300 0.034 0.000 2.458 275 Y HA 0.439 4.989 4.550 0.001 0.000 0.322 275 Y C 0.509 176.441 175.900 0.053 0.000 1.259 275 Y CA -1.271 56.873 58.100 0.073 0.000 1.302 275 Y CB 1.583 40.128 38.460 0.141 0.000 1.314 275 Y HN -0.292 nan 8.280 nan 0.000 0.509 276 V N 2.608 122.628 119.914 0.177 0.000 2.465 276 V HA 0.195 4.315 4.120 0.001 0.000 0.279 276 V C -0.507 175.689 176.094 0.170 0.000 1.045 276 V CA -0.741 61.634 62.300 0.125 0.000 0.938 276 V CB 1.181 33.049 31.823 0.076 0.000 0.986 276 V HN 0.386 nan 8.190 nan 0.000 0.467 277 V N 4.514 124.514 119.914 0.143 0.000 2.350 277 V HA 0.301 4.421 4.120 0.001 0.000 0.276 277 V C 0.580 176.785 176.094 0.186 0.000 1.028 277 V CA -0.122 62.289 62.300 0.185 0.000 0.860 277 V CB 1.592 33.502 31.823 0.146 0.000 0.990 277 V HN 1.011 nan 8.190 nan 0.000 0.453 278 T N 2.072 116.748 114.554 0.204 0.000 2.816 278 T HA 0.121 4.472 4.350 0.001 0.000 0.282 278 T C 0.920 175.731 174.700 0.185 0.000 0.993 278 T CA -0.127 62.076 62.100 0.172 0.000 0.994 278 T CB 0.896 69.862 68.868 0.163 0.000 1.025 278 T HN 0.762 nan 8.240 nan 0.000 0.529 279 D N -0.184 120.303 120.400 0.145 0.000 2.224 279 D HA -0.033 4.607 4.640 0.001 0.000 0.205 279 D C 1.728 178.081 176.300 0.090 0.000 0.965 279 D CA 0.624 54.689 54.000 0.109 0.000 0.852 279 D CB -0.105 40.738 40.800 0.071 0.000 0.947 279 D HN 0.572 nan 8.370 nan 0.000 0.494 280 H N 0.474 119.562 119.070 0.029 0.000 2.457 280 H HA -0.034 4.522 4.556 0.001 0.000 0.297 280 H C 1.075 176.374 175.328 -0.048 0.000 1.092 280 H CA 1.717 57.764 56.048 -0.002 0.000 1.309 280 H CB 0.021 29.792 29.762 0.015 0.000 1.382 280 H HN 0.212 nan 8.280 nan 0.000 0.535 281 G N 0.275 109.156 108.800 0.135 0.000 2.580 281 G HA2 -0.141 3.819 3.960 0.001 0.000 0.204 281 G HA3 -0.141 3.819 3.960 0.001 0.000 0.204 281 G C -0.724 174.232 174.900 0.094 0.000 1.107 281 G CA 0.285 45.336 45.100 -0.080 0.000 0.881 281 G HN 0.459 nan 8.290 nan 0.000 0.497 282 S N -1.292 114.557 115.700 0.248 0.000 2.546 282 S HA 0.634 5.105 4.470 0.001 0.000 0.274 282 S C -0.009 174.775 174.600 0.307 0.000 1.121 282 S CA -0.563 57.788 58.200 0.253 0.000 0.887 282 S CB 2.056 65.338 63.200 0.137 0.000 1.094 282 S HN 0.825 nan 8.310 nan 0.000 0.474 283 c N 3.373 122.173 118.600 0.334 0.000 2.200 283 c HA 0.653 5.223 4.570 0.001 0.000 0.328 283 c C 0.624 174.966 174.090 0.421 0.000 1.148 283 c CA -0.916 55.647 56.329 0.390 0.000 1.624 283 c CB -1.498 41.278 42.510 0.443 0.000 2.167 283 c HN 0.669 nan 8.230 nan 0.000 0.484 284 V N 2.383 122.486 119.914 0.317 0.000 2.732 284 V HA 0.587 4.707 4.120 0.001 0.000 0.310 284 V C 0.751 176.900 176.094 0.091 0.000 1.053 284 V CA -0.723 61.699 62.300 0.202 0.000 0.957 284 V CB 1.305 33.195 31.823 0.112 0.000 1.018 284 V HN 0.747 nan 8.190 nan 0.000 0.452 285 R N 1.634 122.112 120.500 -0.036 0.000 2.313 285 R HA 0.552 4.893 4.340 0.001 0.000 0.199 285 R C 0.359 176.579 176.300 -0.133 0.000 0.958 285 R CA 0.905 56.864 56.100 -0.235 0.000 1.047 285 R CB 0.510 30.678 30.300 -0.219 0.000 0.955 285 R HN 1.018 nan 8.270 nan 0.000 0.481 286 A N 0.087 122.877 122.820 -0.050 0.000 2.560 286 A HA 0.175 4.495 4.320 0.001 0.000 0.300 286 A C -1.093 176.493 177.584 0.004 0.000 1.062 286 A CA -0.819 51.200 52.037 -0.029 0.000 0.767 286 A CB 0.697 19.675 19.000 -0.037 0.000 1.288 286 A HN 0.200 nan 8.150 nan 0.000 0.396 287 c N 3.138 121.748 118.600 0.016 0.000 2.555 287 c HA 0.552 5.122 4.570 0.001 0.000 0.385 287 c C 1.610 175.716 174.090 0.027 0.000 1.296 287 c CA 0.897 57.247 56.329 0.034 0.000 1.757 287 c CB -1.135 41.406 42.510 0.051 0.000 2.445 287 c HN 1.225 nan 8.230 nan 0.000 0.571 288 G N 4.377 113.191 108.800 0.024 0.000 2.418 288 G HA2 0.448 4.408 3.960 0.001 0.000 0.276 288 G HA3 0.448 4.408 3.960 0.001 0.000 0.276 288 G C 0.820 175.729 174.900 0.014 0.000 1.442 288 G CA 0.531 45.640 45.100 0.015 0.000 1.066 288 G HN 1.915 nan 8.290 nan 0.000 0.553 289 A N -0.819 122.005 122.820 0.007 0.000 5.649 289 A HA -0.263 4.058 4.320 0.001 0.000 0.334 289 A C 0.764 178.348 177.584 -0.001 0.000 1.768 289 A CA 2.146 54.184 52.037 0.001 0.000 0.782 289 A CB -1.328 17.674 19.000 0.004 0.000 1.376 289 A HN 0.708 nan 8.150 nan 0.000 0.413 290 D N 0.054 120.449 120.400 -0.008 0.000 3.088 290 D HA 0.520 5.160 4.640 0.001 0.000 0.310 290 D C -0.878 175.408 176.300 -0.022 0.000 1.351 290 D CA 0.595 54.584 54.000 -0.018 0.000 0.921 290 D CB 0.318 41.097 40.800 -0.034 0.000 1.045 290 D HN 0.536 nan 8.370 nan 0.000 0.504 291 S N 0.162 115.870 115.700 0.013 0.000 2.454 291 S HA 0.317 4.788 4.470 0.001 0.000 0.306 291 S C 0.011 174.688 174.600 0.128 0.000 1.100 291 S CA -0.727 57.498 58.200 0.041 0.000 1.087 291 S CB 1.271 64.499 63.200 0.048 0.000 1.019 291 S HN 0.272 nan 8.310 nan 0.000 0.480 292 Y N 1.799 122.102 120.300 0.005 0.000 2.117 292 Y HA -0.072 4.479 4.550 0.001 0.000 0.380 292 Y C 1.393 177.297 175.900 0.007 0.000 1.241 292 Y CA 0.368 58.471 58.100 0.005 0.000 1.732 292 Y CB 0.349 38.814 38.460 0.007 0.000 1.453 292 Y HN 0.628 nan 8.280 nan 0.000 0.740 293 E N 1.229 121.482 120.200 0.089 0.000 4.176 293 E HA 0.121 4.471 4.350 0.001 0.000 0.222 293 E C -1.484 175.077 176.600 -0.065 0.000 1.142 293 E CA -0.347 56.061 56.400 0.015 0.000 1.400 293 E CB 0.282 29.982 29.700 -0.001 0.000 1.206 293 E HN 0.388 nan 8.360 nan 0.000 0.413 294 M N 2.793 122.354 119.600 -0.065 0.000 2.143 294 M HA 0.162 4.642 4.480 0.001 0.000 0.348 294 M C -0.299 175.988 176.300 -0.021 0.000 1.375 294 M CA -0.183 55.061 55.300 -0.094 0.000 1.124 294 M CB 0.439 32.992 32.600 -0.078 0.000 1.669 294 M HN 0.159 nan 8.290 nan 0.000 0.469 295 E N 3.146 123.330 120.200 -0.026 0.000 2.343 295 E HA 0.220 4.570 4.350 0.001 0.000 0.269 295 E C -0.228 176.372 176.600 0.000 0.000 1.047 295 E CA -0.549 55.850 56.400 -0.003 0.000 0.874 295 E CB 1.297 30.993 29.700 -0.006 0.000 1.033 295 E HN 0.681 nan 8.360 nan 0.000 0.409 296 E N 1.624 121.831 120.200 0.012 0.000 3.441 296 E HA -0.023 4.328 4.350 0.001 0.000 0.195 296 E C 0.187 176.794 176.600 0.013 0.000 1.172 296 E CA 0.221 56.629 56.400 0.013 0.000 1.457 296 E CB -0.054 29.659 29.700 0.021 0.000 1.388 296 E HN 0.604 nan 8.360 nan 0.000 0.551 297 D N 0.992 121.402 120.400 0.018 0.000 2.403 297 D HA 0.132 4.772 4.640 0.001 0.000 0.260 297 D C 1.086 177.389 176.300 0.006 0.000 1.243 297 D CA 1.025 55.033 54.000 0.014 0.000 0.918 297 D CB -0.404 40.409 40.800 0.021 0.000 0.939 297 D HN 0.510 nan 8.370 nan 0.000 0.507 298 G N -0.653 108.149 108.800 0.004 0.000 2.267 298 G HA2 -0.305 3.656 3.960 0.001 0.000 0.257 298 G HA3 -0.305 3.656 3.960 0.001 0.000 0.257 298 G C 0.539 175.439 174.900 -0.001 0.000 0.998 298 G CA 0.480 45.580 45.100 0.000 0.000 0.620 298 G HN 0.552 nan 8.290 nan 0.000 0.529 299 V N -2.006 117.908 119.914 0.001 0.000 2.716 299 V HA 0.808 4.928 4.120 0.001 0.000 0.304 299 V C 0.626 176.729 176.094 0.016 0.000 1.053 299 V CA -1.414 60.887 62.300 0.002 0.000 0.984 299 V CB 1.602 33.422 31.823 -0.007 0.000 1.021 299 V HN 0.168 nan 8.190 nan 0.000 0.467 300 R N 2.972 123.487 120.500 0.024 0.000 3.710 300 R HA 0.324 4.664 4.340 0.001 0.000 0.201 300 R C 0.188 176.515 176.300 0.046 0.000 1.641 300 R CA 0.001 56.118 56.100 0.028 0.000 1.390 300 R CB -0.523 29.794 30.300 0.028 0.000 1.341 300 R HN 0.765 nan 8.270 nan 0.000 0.728 301 K N 0.563 120.992 120.400 0.048 0.000 2.462 301 K HA 0.286 4.606 4.320 0.001 0.000 0.257 301 K C 0.330 176.968 176.600 0.063 0.000 1.062 301 K CA -0.096 56.232 56.287 0.068 0.000 0.923 301 K CB 0.442 32.982 32.500 0.068 0.000 1.210 301 K HN 0.625 nan 8.250 nan 0.000 0.502 302 c N -0.725 117.921 118.600 0.076 0.000 3.072 302 c HA 0.384 4.955 4.570 0.001 0.000 0.400 302 c C -0.787 173.362 174.090 0.099 0.000 1.075 302 c CA -1.507 54.875 56.329 0.088 0.000 1.272 302 c CB 0.373 42.931 42.510 0.081 0.000 1.670 302 c HN 0.520 nan 8.230 nan 0.000 0.516 303 K N 1.998 122.469 120.400 0.118 0.000 2.148 303 K HA 0.540 4.860 4.320 0.001 0.000 0.239 303 K C 0.021 176.675 176.600 0.089 0.000 1.018 303 K CA -0.340 56.005 56.287 0.097 0.000 0.923 303 K CB 1.154 33.708 32.500 0.091 0.000 1.117 303 K HN 0.858 nan 8.250 nan 0.000 0.477 304 K N 0.619 121.042 120.400 0.038 0.000 2.090 304 K HA 0.266 4.586 4.320 0.001 0.000 0.250 304 K C -0.965 175.591 176.600 -0.074 0.000 1.004 304 K CA -0.343 55.940 56.287 -0.008 0.000 0.919 304 K CB 0.608 33.103 32.500 -0.010 0.000 1.045 304 K HN 0.696 nan 8.250 nan 0.000 0.471 305 c N 1.985 120.494 118.600 -0.153 0.000 2.301 305 c HA 0.334 4.905 4.570 0.001 0.000 0.323 305 c C -0.103 173.895 174.090 -0.152 0.000 1.265 305 c CA -1.339 54.843 56.329 -0.247 0.000 1.503 305 c CB -0.168 42.037 42.510 -0.509 0.000 2.195 305 c HN 0.871 nan 8.230 nan 0.000 0.477 306 E N 2.364 122.498 120.200 -0.109 0.000 3.417 306 E HA 0.292 4.643 4.350 0.001 0.000 0.279 306 E C 1.205 177.763 176.600 -0.070 0.000 0.851 306 E CA 2.322 58.679 56.400 -0.072 0.000 0.980 306 E CB -0.331 29.335 29.700 -0.058 0.000 0.934 306 E HN 1.673 nan 8.360 nan 0.000 0.541 307 G N 4.376 113.146 108.800 -0.050 0.000 2.606 307 G HA2 -0.286 3.675 3.960 0.001 0.000 0.285 307 G HA3 -0.286 3.675 3.960 0.001 0.000 0.285 307 G C -1.994 172.875 174.900 -0.052 0.000 1.311 307 G CA -0.411 44.663 45.100 -0.043 0.000 0.922 307 G HN 0.696 nan 8.290 nan 0.000 0.559 308 P HA 0.202 nan 4.420 nan 0.000 0.254 308 P C 0.955 178.220 177.300 -0.059 0.000 1.186 308 P CA 0.170 63.244 63.100 -0.043 0.000 0.868 308 P CB 0.120 31.800 31.700 -0.033 0.000 0.856 309 c N 5.154 123.711 118.600 -0.072 0.000 6.565 309 c HA 0.149 4.719 4.570 0.001 0.000 0.225 309 c C 1.522 175.571 174.090 -0.069 0.000 2.397 309 c CA 0.596 56.862 56.329 -0.105 0.000 1.884 309 c CB -0.243 42.193 42.510 -0.124 0.000 1.809 309 c HN 0.478 nan 8.230 nan 0.000 0.155 310 R N 0.231 120.703 120.500 -0.048 0.000 3.234 310 R HA 0.467 4.807 4.340 0.001 0.000 0.223 310 R C -0.641 175.655 176.300 -0.006 0.000 1.644 310 R CA -0.473 55.620 56.100 -0.012 0.000 1.009 310 R CB -0.055 30.261 30.300 0.027 0.000 1.959 310 R HN 0.626 nan 8.270 nan 0.000 0.534 311 K N -0.678 119.724 120.400 0.002 0.000 2.117 311 K HA 0.560 4.881 4.320 0.001 0.000 0.240 311 K C -0.745 175.849 176.600 -0.011 0.000 1.031 311 K CA -0.545 55.736 56.287 -0.010 0.000 0.909 311 K CB 0.517 33.007 32.500 -0.016 0.000 1.097 311 K HN 0.157 nan 8.250 nan 0.000 0.492 312 V N 0.286 120.181 119.914 -0.030 0.000 2.595 312 V HA 0.132 4.252 4.120 0.001 0.000 0.269 312 V C -1.133 174.918 176.094 -0.072 0.000 0.982 312 V CA -0.999 61.279 62.300 -0.037 0.000 0.873 312 V CB 1.052 32.860 31.823 -0.025 0.000 1.051 312 V HN 0.845 nan 8.190 nan 0.000 0.466 313 c N 4.704 123.237 118.600 -0.113 0.000 2.383 313 c HA 0.178 4.749 4.570 0.001 0.000 0.350 313 c C 2.129 176.123 174.090 -0.160 0.000 1.173 313 c CA -0.415 55.776 56.329 -0.229 0.000 1.645 313 c CB -1.111 41.191 42.510 -0.347 0.000 2.221 313 c HN 0.834 nan 8.230 nan 0.000 0.528 314 N N 2.085 120.735 118.700 -0.082 0.000 2.021 314 N HA -0.066 4.675 4.740 0.001 0.000 0.198 314 N C 0.990 176.537 175.510 0.062 0.000 1.041 314 N CA 2.084 55.142 53.050 0.013 0.000 0.862 314 N CB -0.213 38.309 38.487 0.058 0.000 1.048 314 N HN 1.000 nan 8.380 nan 0.000 0.427 315 G N 0.382 109.292 108.800 0.183 0.000 2.911 315 G HA2 -0.149 3.811 3.960 0.001 0.000 0.686 315 G HA3 -0.149 3.811 3.960 0.001 0.000 0.686 315 G C -0.402 174.613 174.900 0.192 0.000 1.136 315 G CA -0.747 44.474 45.100 0.202 0.000 0.764 315 G HN 0.136 nan 8.290 nan 0.000 0.626 316 I N 1.480 122.087 120.570 0.062 0.000 3.075 316 I HA 0.163 4.333 4.170 0.001 0.000 0.320 316 I C 1.964 178.116 176.117 0.059 0.000 1.211 316 I CA 2.615 63.911 61.300 -0.006 0.000 1.463 316 I CB -0.127 37.794 38.000 -0.132 0.000 1.308 316 I HN 2.311 nan 8.210 nan 0.000 0.553 317 G N 4.969 113.877 108.800 0.181 0.000 2.195 317 G HA2 -0.251 3.709 3.960 0.001 0.000 0.246 317 G HA3 -0.251 3.709 3.960 0.001 0.000 0.246 317 G C -0.146 174.833 174.900 0.132 0.000 0.984 317 G CA 0.239 45.440 45.100 0.169 0.000 0.633 317 G HN 0.569 nan 8.290 nan 0.000 0.525 318 I N 0.038 120.694 120.570 0.142 0.000 2.934 318 I HA 0.740 4.911 4.170 0.001 0.000 0.306 318 I C 1.319 177.470 176.117 0.057 0.000 1.110 318 I CA 0.664 62.013 61.300 0.081 0.000 1.019 318 I CB 1.466 39.492 38.000 0.044 0.000 1.227 318 I HN 1.593 nan 8.210 nan 0.000 0.434 319 G N 4.946 113.740 108.800 -0.009 0.000 2.672 319 G HA2 -0.364 3.596 3.960 0.001 0.000 0.324 319 G HA3 -0.364 3.596 3.960 0.001 0.000 0.324 319 G C 0.724 175.526 174.900 -0.163 0.000 1.286 319 G CA 0.848 45.901 45.100 -0.080 0.000 1.004 319 G HN 0.801 nan 8.290 nan 0.000 0.548 320 E N 0.304 120.294 120.200 -0.350 0.000 2.492 320 E HA -0.012 4.338 4.350 0.001 0.000 0.204 320 E C 0.745 176.876 176.600 -0.781 0.000 1.073 320 E CA 1.119 57.146 56.400 -0.622 0.000 0.887 320 E CB -0.144 29.009 29.700 -0.912 0.000 0.813 320 E HN 0.398 nan 8.360 nan 0.000 0.562 321 F N -0.593 119.353 119.950 -0.006 0.000 2.811 321 F HA 0.252 4.779 4.527 0.001 0.000 0.342 321 F C 1.313 177.129 175.800 0.027 0.000 1.203 321 F CA -0.832 57.177 58.000 0.015 0.000 1.173 321 F CB 0.274 39.304 39.000 0.049 0.000 1.094 321 F HN -0.219 nan 8.300 nan 0.000 0.510 322 K N 0.354 120.829 120.400 0.125 0.000 2.211 322 K HA -0.114 4.206 4.320 0.001 0.000 0.203 322 K C 0.755 177.419 176.600 0.107 0.000 1.050 322 K CA 1.629 57.976 56.287 0.100 0.000 0.945 322 K CB 0.193 32.720 32.500 0.044 0.000 0.732 322 K HN 0.090 nan 8.250 nan 0.000 0.451 323 D N -0.131 120.333 120.400 0.106 0.000 2.366 323 D HA 0.031 4.672 4.640 0.001 0.000 0.205 323 D C -0.221 176.149 176.300 0.116 0.000 1.022 323 D CA 0.285 54.341 54.000 0.094 0.000 0.868 323 D CB 0.476 41.312 40.800 0.060 0.000 0.953 323 D HN -0.038 nan 8.370 nan 0.000 0.514 324 S N 1.271 117.072 115.700 0.170 0.000 2.488 324 S HA 0.137 4.607 4.470 0.001 0.000 0.278 324 S C 1.165 175.829 174.600 0.107 0.000 1.259 324 S CA -0.360 57.926 58.200 0.142 0.000 1.061 324 S CB 0.758 64.077 63.200 0.199 0.000 0.910 324 S HN 0.183 nan 8.310 nan 0.000 0.491 325 L N 1.230 122.495 121.223 0.069 0.000 2.700 325 L HA 0.614 4.954 4.340 0.001 0.000 0.234 325 L C 0.325 177.222 176.870 0.045 0.000 1.156 325 L CA -0.021 54.855 54.840 0.059 0.000 0.946 325 L CB -0.156 41.919 42.059 0.027 0.000 1.216 325 L HN 0.490 nan 8.230 nan 0.000 0.493 326 S N -0.358 115.351 115.700 0.015 0.000 2.669 326 S HA 0.329 4.800 4.470 0.001 0.000 0.304 326 S C -0.865 173.647 174.600 -0.147 0.000 1.021 326 S CA -0.830 57.352 58.200 -0.029 0.000 0.854 326 S CB 0.519 63.685 63.200 -0.057 0.000 1.048 326 S HN 0.300 nan 8.310 nan 0.000 0.452 327 I N 4.604 125.036 120.570 -0.229 0.000 2.741 327 I HA 0.150 4.320 4.170 0.001 0.000 0.288 327 I C -0.319 175.652 176.117 -0.244 0.000 1.192 327 I CA 0.844 61.925 61.300 -0.366 0.000 1.426 327 I CB -0.248 37.482 38.000 -0.450 0.000 1.367 327 I HN 0.792 nan 8.210 nan 0.000 0.563 328 N N 4.993 123.571 118.700 -0.204 0.000 2.494 328 N HA 0.487 5.227 4.740 0.001 0.000 0.270 328 N C 0.195 175.672 175.510 -0.055 0.000 1.285 328 N CA -0.275 52.715 53.050 -0.100 0.000 0.812 328 N CB 1.393 39.841 38.487 -0.065 0.000 1.557 328 N HN 0.432 nan 8.380 nan 0.000 0.487 329 A N 0.305 123.121 122.820 -0.008 0.000 1.985 329 A HA -0.259 4.061 4.320 0.001 0.000 0.223 329 A C 1.825 179.428 177.584 0.031 0.000 1.189 329 A CA 2.638 54.682 52.037 0.013 0.000 0.658 329 A CB -1.702 17.309 19.000 0.018 0.000 0.820 329 A HN 0.797 nan 8.150 nan 0.000 0.464 330 T N 0.383 114.955 114.554 0.031 0.000 2.555 330 T HA -0.133 4.217 4.350 0.001 0.000 0.264 330 T C 1.099 175.872 174.700 0.121 0.000 1.083 330 T CA 1.582 63.721 62.100 0.064 0.000 1.179 330 T CB -0.299 68.604 68.868 0.059 0.000 0.863 330 T HN 0.544 nan 8.240 nan 0.000 0.412 331 N N 0.928 119.701 118.700 0.121 0.000 2.610 331 N HA 0.296 5.037 4.740 0.001 0.000 0.309 331 N C 0.664 176.296 175.510 0.204 0.000 1.536 331 N CA -0.019 53.181 53.050 0.250 0.000 0.954 331 N CB 0.610 39.263 38.487 0.277 0.000 1.310 331 N HN 0.390 nan 8.380 nan 0.000 0.502 332 I N 0.589 121.227 120.570 0.113 0.000 3.030 332 I HA -0.083 4.088 4.170 0.001 0.000 0.270 332 I C 2.055 178.319 176.117 0.245 0.000 1.211 332 I CA 0.636 61.943 61.300 0.011 0.000 1.479 332 I CB 0.276 38.243 38.000 -0.055 0.000 1.105 332 I HN 0.057 nan 8.210 nan 0.000 0.447 333 K N -0.198 120.360 120.400 0.263 0.000 2.160 333 K HA -0.241 4.079 4.320 0.001 0.000 0.206 333 K C 1.029 177.768 176.600 0.233 0.000 1.047 333 K CA 1.795 58.202 56.287 0.199 0.000 0.930 333 K CB -0.941 31.628 32.500 0.115 0.000 0.720 333 K HN 0.409 nan 8.250 nan 0.000 0.450 334 H N -0.721 118.553 119.070 0.340 0.000 2.611 334 H HA 0.068 4.625 4.556 0.001 0.000 0.283 334 H C -0.299 175.145 175.328 0.193 0.000 1.075 334 H CA 0.400 56.630 56.048 0.304 0.000 1.184 334 H CB -0.321 29.704 29.762 0.437 0.000 1.294 334 H HN 0.221 nan 8.280 nan 0.000 0.619 335 F N -1.122 118.915 119.950 0.144 0.000 2.825 335 F HA 0.189 4.717 4.527 0.001 0.000 0.322 335 F C 1.581 177.419 175.800 0.064 0.000 1.127 335 F CA -0.578 57.480 58.000 0.097 0.000 1.164 335 F CB 0.509 39.552 39.000 0.072 0.000 1.101 335 F HN -0.129 nan 8.300 nan 0.000 0.529 336 K N 1.006 121.508 120.400 0.170 0.000 1.981 336 K HA -0.196 4.125 4.320 0.001 0.000 0.228 336 K C 0.369 177.014 176.600 0.075 0.000 1.050 336 K CA 1.502 57.849 56.287 0.099 0.000 1.001 336 K CB -0.493 32.037 32.500 0.049 0.000 0.738 336 K HN 0.148 nan 8.250 nan 0.000 0.447 337 N N -0.254 118.472 118.700 0.043 0.000 2.706 337 N HA 0.166 4.907 4.740 0.001 0.000 0.240 337 N C -1.596 173.927 175.510 0.021 0.000 1.039 337 N CA -0.410 52.661 53.050 0.034 0.000 0.888 337 N CB 0.462 38.961 38.487 0.021 0.000 1.128 337 N HN 0.310 nan 8.380 nan 0.000 0.512 338 c N 0.189 118.808 118.600 0.031 0.000 3.090 338 c HA 0.585 5.155 4.570 0.001 0.000 0.347 338 c C 1.205 175.317 174.090 0.037 0.000 1.147 338 c CA -0.731 55.608 56.329 0.015 0.000 1.305 338 c CB 0.994 43.485 42.510 -0.032 0.000 1.692 338 c HN 0.596 nan 8.230 nan 0.000 0.506 339 T N -1.585 112.987 114.554 0.030 0.000 3.040 339 T HA 0.328 4.678 4.350 0.001 0.000 0.250 339 T C 0.461 175.175 174.700 0.023 0.000 1.058 339 T CA 0.674 62.795 62.100 0.035 0.000 0.988 339 T CB -0.301 68.584 68.868 0.028 0.000 0.993 339 T HN 1.615 nan 8.240 nan 0.000 0.519 340 S N 1.805 117.511 115.700 0.009 0.000 2.733 340 S HA 0.622 5.093 4.470 0.001 0.000 0.294 340 S C -0.711 173.876 174.600 -0.021 0.000 1.149 340 S CA -1.017 57.179 58.200 -0.006 0.000 1.034 340 S CB 0.896 64.089 63.200 -0.011 0.000 1.015 340 S HN 0.156 nan 8.310 nan 0.000 0.486 341 I N 3.262 123.822 120.570 -0.016 0.000 2.308 341 I HA 0.216 4.386 4.170 0.001 0.000 0.293 341 I C 0.989 177.076 176.117 -0.049 0.000 1.078 341 I CA -0.108 61.177 61.300 -0.024 0.000 1.292 341 I CB 0.579 38.593 38.000 0.022 0.000 1.423 341 I HN 0.816 nan 8.210 nan 0.000 0.493 342 S N 5.203 120.870 115.700 -0.054 0.000 3.864 342 S HA 0.484 4.955 4.470 0.001 0.000 0.202 342 S C 0.640 175.205 174.600 -0.058 0.000 1.402 342 S CA 0.332 58.500 58.200 -0.053 0.000 1.072 342 S CB -0.754 62.421 63.200 -0.043 0.000 1.383 342 S HN 1.016 nan 8.310 nan 0.000 0.458 343 G N 1.071 109.820 108.800 -0.086 0.000 2.566 343 G HA2 0.126 4.086 3.960 0.001 0.000 0.138 343 G HA3 0.126 4.086 3.960 0.001 0.000 0.138 343 G C -1.844 172.912 174.900 -0.239 0.000 1.133 343 G CA -0.626 44.401 45.100 -0.123 0.000 1.037 343 G HN 0.416 nan 8.290 nan 0.000 0.491 344 D N -0.169 120.019 120.400 -0.354 0.000 2.494 344 D HA 0.707 5.348 4.640 0.001 0.000 0.259 344 D C -0.636 175.339 176.300 -0.542 0.000 1.109 344 D CA -0.254 53.326 54.000 -0.700 0.000 1.040 344 D CB 2.264 42.320 40.800 -1.240 0.000 1.175 344 D HN 0.254 nan 8.370 nan 0.000 0.584 345 L N 0.823 121.627 121.223 -0.699 0.000 2.541 345 L HA 0.218 4.558 4.340 0.001 0.000 0.266 345 L C -1.354 175.277 176.870 -0.399 0.000 0.966 345 L CA -0.457 54.131 54.840 -0.421 0.000 0.871 345 L CB 1.656 43.593 42.059 -0.203 0.000 1.232 345 L HN 0.328 nan 8.230 nan 0.000 0.408 346 H N 4.545 123.573 119.070 -0.071 0.000 2.638 346 H HA 0.428 4.985 4.556 0.001 0.000 0.303 346 H C -0.288 175.011 175.328 -0.049 0.000 1.034 346 H CA -0.451 55.590 56.048 -0.013 0.000 1.225 346 H CB 1.511 31.274 29.762 0.001 0.000 1.394 346 H HN 0.386 nan 8.280 nan 0.000 0.477 347 I N 5.778 126.411 120.570 0.105 0.000 2.276 347 I HA 0.112 4.282 4.170 0.001 0.000 0.290 347 I C -0.512 175.563 176.117 -0.071 0.000 1.109 347 I CA -0.020 61.282 61.300 0.003 0.000 1.229 347 I CB 0.124 38.234 38.000 0.184 0.000 1.452 347 I HN 0.400 nan 8.210 nan 0.000 0.497 348 L N 7.561 128.690 121.223 -0.157 0.000 2.325 348 L HA 0.378 4.718 4.340 0.001 0.000 0.278 348 L C -1.441 175.277 176.870 -0.253 0.000 1.023 348 L CA -1.695 53.062 54.840 -0.138 0.000 0.811 348 L CB 1.405 43.419 42.059 -0.075 0.000 1.249 348 L HN 0.191 nan 8.230 nan 0.000 0.431 349 P HA -0.225 nan 4.420 nan 0.000 0.218 349 P C 1.648 178.918 177.300 -0.051 0.000 1.150 349 P CA 0.916 63.978 63.100 -0.063 0.000 0.841 349 P CB 0.305 32.018 31.700 0.021 0.000 0.784 350 V N -0.535 119.344 119.914 -0.058 0.000 2.490 350 V HA -0.261 3.859 4.120 0.001 0.000 0.250 350 V C 2.066 178.141 176.094 -0.032 0.000 1.061 350 V CA 2.257 64.545 62.300 -0.020 0.000 1.064 350 V CB -1.280 30.539 31.823 -0.007 0.000 0.670 350 V HN 0.081 nan 8.190 nan 0.000 0.461 351 A N -0.322 122.421 122.820 -0.129 0.000 1.858 351 A HA -0.184 4.136 4.320 0.001 0.000 0.216 351 A C 2.115 179.722 177.584 0.040 0.000 1.190 351 A CA 2.194 54.159 52.037 -0.120 0.000 0.617 351 A CB -0.988 17.838 19.000 -0.290 0.000 0.827 351 A HN 0.614 nan 8.150 nan 0.000 0.443 352 F N -1.281 118.659 119.950 -0.017 0.000 2.269 352 F HA -0.121 4.407 4.527 0.001 0.000 0.301 352 F C 2.466 178.254 175.800 -0.019 0.000 1.082 352 F CA 1.090 59.073 58.000 -0.029 0.000 1.360 352 F CB 0.074 39.057 39.000 -0.028 0.000 1.041 352 F HN 0.175 nan 8.300 nan 0.000 0.512 353 R N 0.979 121.582 120.500 0.171 0.000 2.334 353 R HA 0.238 4.578 4.340 0.001 0.000 0.212 353 R C 0.072 176.410 176.300 0.064 0.000 0.897 353 R CA 0.477 56.636 56.100 0.099 0.000 1.056 353 R CB -0.166 30.184 30.300 0.082 0.000 1.046 353 R HN 0.126 nan 8.270 nan 0.000 0.513 354 G N 1.406 110.241 108.800 0.058 0.000 3.129 354 G HA2 -0.252 3.709 3.960 0.001 0.000 0.686 354 G HA3 -0.252 3.709 3.960 0.001 0.000 0.686 354 G C -1.247 173.679 174.900 0.044 0.000 0.989 354 G CA -0.036 45.087 45.100 0.038 0.000 0.810 354 G HN 0.388 nan 8.290 nan 0.000 0.539 355 D N 0.835 121.265 120.400 0.050 0.000 2.329 355 D HA 0.563 5.203 4.640 0.001 0.000 0.232 355 D C 1.252 177.613 176.300 0.103 0.000 1.088 355 D CA 0.415 54.466 54.000 0.085 0.000 0.835 355 D CB 1.368 42.229 40.800 0.102 0.000 1.078 355 D HN 0.409 nan 8.370 nan 0.000 0.495 356 S N 3.242 119.016 115.700 0.123 0.000 2.607 356 S HA -0.021 4.450 4.470 0.001 0.000 0.224 356 S C 1.048 175.783 174.600 0.225 0.000 0.969 356 S CA -0.051 58.233 58.200 0.140 0.000 0.927 356 S CB -0.343 62.927 63.200 0.117 0.000 0.772 356 S HN 0.576 nan 8.310 nan 0.000 0.533 357 F N 1.951 121.939 119.950 0.064 0.000 2.505 357 F HA 0.197 4.725 4.527 0.001 0.000 0.289 357 F C 2.086 177.929 175.800 0.072 0.000 1.101 357 F CA 1.366 59.402 58.000 0.060 0.000 1.446 357 F CB -0.252 38.772 39.000 0.040 0.000 1.123 357 F HN 0.282 nan 8.300 nan 0.000 0.564 358 T N -3.472 111.066 114.554 -0.027 0.000 3.060 358 T HA 0.125 4.476 4.350 0.001 0.000 0.249 358 T C 0.164 174.898 174.700 0.056 0.000 1.079 358 T CA 0.676 62.720 62.100 -0.093 0.000 1.013 358 T CB -0.484 68.383 68.868 -0.003 0.000 0.975 358 T HN 0.353 nan 8.240 nan 0.000 0.518 359 H N 1.723 120.766 119.070 -0.046 0.000 2.944 359 H HA -0.140 4.416 4.556 0.001 0.000 0.313 359 H C -0.354 174.973 175.328 -0.002 0.000 1.293 359 H CA 0.407 56.442 56.048 -0.021 0.000 1.173 359 H CB -1.856 27.882 29.762 -0.041 0.000 1.420 359 H HN 0.664 nan 8.280 nan 0.000 0.432 360 T N -0.140 114.412 114.554 -0.003 0.000 2.815 360 T HA 0.615 4.966 4.350 0.001 0.000 0.289 360 T C -2.737 171.944 174.700 -0.031 0.000 1.000 360 T CA -2.034 60.057 62.100 -0.015 0.000 0.958 360 T CB 2.677 71.555 68.868 0.017 0.000 0.944 360 T HN 0.028 nan 8.240 nan 0.000 0.442 361 P HA 0.205 nan 4.420 nan 0.000 0.268 361 P C -2.209 175.090 177.300 -0.001 0.000 1.204 361 P CA -0.886 62.193 63.100 -0.035 0.000 0.768 361 P CB -0.224 31.453 31.700 -0.038 0.000 0.842 362 P HA -0.071 nan 4.420 nan 0.000 0.266 362 P C -0.382 176.947 177.300 0.048 0.000 1.186 362 P CA 0.058 63.183 63.100 0.042 0.000 0.767 362 P CB 0.474 32.197 31.700 0.038 0.000 0.820 363 L N 2.435 123.720 121.223 0.103 0.000 2.397 363 L HA 0.211 4.551 4.340 0.001 0.000 0.271 363 L C 0.249 177.142 176.870 0.039 0.000 1.148 363 L CA -0.054 54.849 54.840 0.104 0.000 0.825 363 L CB 0.092 42.282 42.059 0.220 0.000 1.117 363 L HN 0.249 nan 8.230 nan 0.000 0.456 364 D N 5.903 126.299 120.400 -0.006 0.000 2.336 364 D HA 0.251 4.892 4.640 0.001 0.000 0.249 364 D C -1.844 174.389 176.300 -0.111 0.000 1.213 364 D CA -1.940 52.024 54.000 -0.061 0.000 0.870 364 D CB 1.375 42.148 40.800 -0.045 0.000 1.076 364 D HN 0.356 nan 8.370 nan 0.000 0.483 365 P HA -0.159 nan 4.420 nan 0.000 0.223 365 P C 0.544 177.718 177.300 -0.209 0.000 1.140 365 P CA 0.901 63.808 63.100 -0.323 0.000 0.783 365 P CB 0.169 31.629 31.700 -0.401 0.000 0.759 366 Q N -0.884 118.830 119.800 -0.143 0.000 2.228 366 Q HA 0.069 4.409 4.340 0.001 0.000 0.211 366 Q C 0.780 176.739 176.000 -0.069 0.000 0.890 366 Q CA 0.530 56.267 55.803 -0.109 0.000 0.953 366 Q CB 0.112 28.794 28.738 -0.094 0.000 1.053 366 Q HN 0.467 nan 8.270 nan 0.000 0.471 367 E N -0.600 119.564 120.200 -0.060 0.000 2.562 367 E HA 0.163 4.513 4.350 0.001 0.000 0.214 367 E C 0.953 177.542 176.600 -0.017 0.000 0.979 367 E CA -0.075 56.310 56.400 -0.025 0.000 1.002 367 E CB 0.775 30.468 29.700 -0.012 0.000 1.048 367 E HN 0.187 nan 8.360 nan 0.000 0.488 368 L N 0.743 121.944 121.223 -0.037 0.000 2.591 368 L HA 0.050 4.391 4.340 0.001 0.000 0.228 368 L C 0.570 177.453 176.870 0.021 0.000 1.133 368 L CA 0.532 55.341 54.840 -0.051 0.000 0.880 368 L CB 0.019 41.963 42.059 -0.192 0.000 1.033 368 L HN 0.023 nan 8.230 nan 0.000 0.450 369 D N -0.068 120.359 120.400 0.044 0.000 2.355 369 D HA -0.070 4.570 4.640 0.001 0.000 0.218 369 D C 1.911 178.239 176.300 0.047 0.000 1.004 369 D CA 0.420 54.453 54.000 0.056 0.000 0.880 369 D CB 0.295 41.091 40.800 -0.008 0.000 0.911 369 D HN 0.112 nan 8.370 nan 0.000 0.528 370 I N 0.328 120.925 120.570 0.045 0.000 2.394 370 I HA -0.136 4.034 4.170 0.001 0.000 0.251 370 I C 1.633 177.813 176.117 0.105 0.000 1.136 370 I CA 1.017 62.361 61.300 0.073 0.000 1.425 370 I CB -0.074 37.976 38.000 0.083 0.000 1.079 370 I HN 0.074 nan 8.210 nan 0.000 0.425 371 L N -0.026 121.249 121.223 0.087 0.000 2.627 371 L HA 0.012 4.352 4.340 0.001 0.000 0.233 371 L C 1.915 178.857 176.870 0.120 0.000 1.144 371 L CA 0.139 55.058 54.840 0.132 0.000 0.892 371 L CB -0.535 41.567 42.059 0.073 0.000 1.039 371 L HN 0.072 nan 8.230 nan 0.000 0.442 372 K N 0.218 120.673 120.400 0.091 0.000 2.365 372 K HA -0.044 4.276 4.320 0.001 0.000 0.199 372 K C 1.902 178.557 176.600 0.093 0.000 1.045 372 K CA 1.341 57.684 56.287 0.092 0.000 0.962 372 K CB -0.044 32.501 32.500 0.074 0.000 0.759 372 K HN 0.395 nan 8.250 nan 0.000 0.469 373 T N -2.253 112.359 114.554 0.097 0.000 3.107 373 T HA 0.112 4.463 4.350 0.001 0.000 0.249 373 T C 0.702 175.457 174.700 0.091 0.000 1.096 373 T CA -0.290 61.859 62.100 0.082 0.000 1.012 373 T CB 0.030 68.940 68.868 0.069 0.000 0.977 373 T HN -0.262 nan 8.240 nan 0.000 0.527 374 V N 3.092 123.085 119.914 0.132 0.000 2.427 374 V HA 0.254 4.374 4.120 0.001 0.000 0.268 374 V C 1.162 177.309 176.094 0.089 0.000 1.046 374 V CA -0.481 61.894 62.300 0.125 0.000 0.970 374 V CB 0.912 32.850 31.823 0.192 0.000 1.001 374 V HN 0.281 nan 8.190 nan 0.000 0.476 375 K N 3.530 123.958 120.400 0.046 0.000 2.128 375 K HA 0.084 4.404 4.320 0.001 0.000 0.202 375 K C 0.755 177.355 176.600 -0.001 0.000 1.050 375 K CA 0.828 57.126 56.287 0.018 0.000 0.966 375 K CB 0.438 32.941 32.500 0.005 0.000 0.759 375 K HN 0.937 nan 8.250 nan 0.000 0.454 376 E N -0.210 119.986 120.200 -0.006 0.000 2.392 376 E HA 0.525 4.875 4.350 0.001 0.000 0.269 376 E C -0.994 175.585 176.600 -0.035 0.000 0.924 376 E CA -0.751 55.634 56.400 -0.025 0.000 0.784 376 E CB 1.997 31.680 29.700 -0.028 0.000 1.292 376 E HN -0.109 nan 8.360 nan 0.000 0.447 377 I N 2.315 122.852 120.570 -0.054 0.000 2.497 377 I HA 0.112 4.283 4.170 0.001 0.000 0.284 377 I C 1.142 177.217 176.117 -0.070 0.000 1.060 377 I CA -0.647 60.607 61.300 -0.076 0.000 1.071 377 I CB 2.064 39.990 38.000 -0.123 0.000 1.216 377 I HN 0.913 nan 8.210 nan 0.000 0.442 378 T N 2.118 116.627 114.554 -0.075 0.000 2.746 378 T HA -0.054 4.296 4.350 0.001 0.000 0.267 378 T C 1.219 175.872 174.700 -0.079 0.000 1.039 378 T CA 1.410 63.463 62.100 -0.078 0.000 1.142 378 T CB -0.053 68.761 68.868 -0.091 0.000 0.866 378 T HN 0.657 nan 8.240 nan 0.000 0.444 379 G N 1.253 109.987 108.800 -0.111 0.000 3.372 379 G HA2 0.498 4.459 3.960 0.001 0.000 0.178 379 G HA3 0.498 4.459 3.960 0.001 0.000 0.178 379 G C -0.171 174.717 174.900 -0.018 0.000 1.817 379 G CA -0.261 44.780 45.100 -0.098 0.000 0.996 379 G HN 0.652 nan 8.290 nan 0.000 0.559 380 F N -1.827 118.083 119.950 -0.066 0.000 2.579 380 F HA 0.783 5.310 4.527 0.001 0.000 0.324 380 F C -1.114 174.616 175.800 -0.117 0.000 1.058 380 F CA -1.923 56.038 58.000 -0.066 0.000 0.944 380 F CB 1.827 40.812 39.000 -0.027 0.000 1.245 380 F HN 0.314 nan 8.300 nan 0.000 0.477 381 L N 3.893 125.214 121.223 0.162 0.000 2.295 381 L HA 0.615 4.955 4.340 0.001 0.000 0.281 381 L C -1.606 175.352 176.870 0.147 0.000 1.018 381 L CA -0.732 54.100 54.840 -0.014 0.000 0.841 381 L CB 0.971 42.904 42.059 -0.210 0.000 1.218 381 L HN 0.790 nan 8.230 nan 0.000 0.424 382 L N 6.825 128.182 121.223 0.222 0.000 2.313 382 L HA 0.681 5.021 4.340 0.001 0.000 0.283 382 L C -1.118 175.850 176.870 0.163 0.000 1.013 382 L CA -0.057 54.931 54.840 0.247 0.000 0.816 382 L CB 1.193 43.551 42.059 0.499 0.000 1.236 382 L HN 0.539 nan 8.230 nan 0.000 0.419 383 I N 5.193 125.823 120.570 0.100 0.000 2.468 383 I HA 0.332 4.502 4.170 0.001 0.000 0.284 383 I C 0.072 176.236 176.117 0.077 0.000 1.038 383 I CA -0.195 61.172 61.300 0.112 0.000 1.083 383 I CB 1.795 39.856 38.000 0.102 0.000 1.223 383 I HN 0.671 nan 8.210 nan 0.000 0.443 384 Q N 4.024 123.870 119.800 0.078 0.000 2.217 384 Q HA 0.493 4.834 4.340 0.001 0.000 0.217 384 Q C 0.199 176.257 176.000 0.096 0.000 0.844 384 Q CA -0.110 55.726 55.803 0.057 0.000 0.957 384 Q CB 1.740 30.493 28.738 0.024 0.000 1.127 384 Q HN 0.789 nan 8.270 nan 0.000 0.503 385 A N 0.505 123.415 122.820 0.150 0.000 2.566 385 A HA 0.761 5.081 4.320 0.001 0.000 0.292 385 A C -2.153 175.785 177.584 0.589 0.000 1.112 385 A CA -0.470 51.724 52.037 0.261 0.000 0.707 385 A CB 1.773 20.822 19.000 0.082 0.000 1.302 385 A HN 0.265 nan 8.150 nan 0.000 0.409 386 W N 1.068 122.658 121.300 0.484 0.000 4.198 386 W HA 0.308 4.968 4.660 0.001 0.000 0.255 386 W C -3.303 173.306 176.519 0.151 0.000 1.304 386 W CA -0.941 56.666 57.345 0.436 0.000 1.276 386 W CB 0.399 29.981 29.460 0.203 0.000 1.190 386 W HN 0.604 nan 8.180 nan 0.000 0.554 387 P HA -0.162 nan 4.420 nan 0.000 0.266 387 P C 0.437 177.665 177.300 -0.120 0.000 1.162 387 P CA 1.208 64.028 63.100 -0.466 0.000 0.758 387 P CB 0.799 32.109 31.700 -0.650 0.000 0.774 388 E N 1.221 121.373 120.200 -0.080 0.000 2.051 388 E HA -0.101 4.249 4.350 0.001 0.000 0.189 388 E C 0.956 177.561 176.600 0.007 0.000 0.979 388 E CA 0.880 57.285 56.400 0.009 0.000 0.803 388 E CB -0.511 29.190 29.700 0.001 0.000 0.761 388 E HN 0.487 nan 8.360 nan 0.000 0.451 389 N N 0.878 119.552 118.700 -0.043 0.000 3.105 389 N HA 0.028 4.768 4.740 0.001 0.000 0.309 389 N C -0.779 174.717 175.510 -0.024 0.000 1.291 389 N CA -0.132 52.899 53.050 -0.033 0.000 1.153 389 N CB 0.113 38.564 38.487 -0.060 0.000 1.447 389 N HN -0.136 nan 8.380 nan 0.000 0.555 390 R N -0.954 119.568 120.500 0.037 0.000 2.664 390 R HA 0.144 4.485 4.340 0.001 0.000 0.266 390 R C -0.221 176.196 176.300 0.195 0.000 1.046 390 R CA -0.513 55.653 56.100 0.111 0.000 0.885 390 R CB 1.066 31.434 30.300 0.114 0.000 1.254 390 R HN 0.138 nan 8.270 nan 0.000 0.465 391 T N -2.468 112.216 114.554 0.217 0.000 3.209 391 T HA 0.393 4.743 4.350 0.001 0.000 0.295 391 T C -0.486 174.342 174.700 0.214 0.000 0.977 391 T CA -0.253 61.967 62.100 0.200 0.000 0.922 391 T CB 0.061 69.012 68.868 0.138 0.000 1.152 391 T HN 0.401 nan 8.240 nan 0.000 0.527 392 D N 0.435 121.015 120.400 0.301 0.000 2.947 392 D HA 0.410 5.051 4.640 0.001 0.000 0.224 392 D C -0.856 175.635 176.300 0.318 0.000 1.230 392 D CA -0.604 53.540 54.000 0.240 0.000 0.871 392 D CB 1.739 42.654 40.800 0.193 0.000 1.671 392 D HN 0.136 nan 8.370 nan 0.000 0.507 393 L N 4.332 125.560 121.223 0.008 0.000 2.505 393 L HA 0.177 4.517 4.340 0.001 0.000 0.279 393 L C 1.096 177.993 176.870 0.045 0.000 1.211 393 L CA 0.067 54.743 54.840 -0.274 0.000 1.059 393 L CB -0.390 41.435 42.059 -0.390 0.000 1.340 393 L HN 0.581 nan 8.230 nan 0.000 0.447 394 H N 1.410 120.680 119.070 0.334 0.000 2.306 394 H HA 0.050 4.606 4.556 0.001 0.000 0.307 394 H C 2.055 177.426 175.328 0.071 0.000 1.061 394 H CA 0.694 56.841 56.048 0.166 0.000 1.359 394 H CB -0.266 29.578 29.762 0.138 0.000 1.407 394 H HN 0.446 nan 8.280 nan 0.000 0.517 395 A N 0.814 123.545 122.820 -0.148 0.000 2.054 395 A HA -0.194 4.126 4.320 0.001 0.000 0.223 395 A C 1.220 178.695 177.584 -0.182 0.000 1.169 395 A CA 1.595 53.524 52.037 -0.180 0.000 0.655 395 A CB -1.363 17.329 19.000 -0.513 0.000 0.812 395 A HN 0.558 nan 8.150 nan 0.000 0.462 396 F N -0.848 119.147 119.950 0.075 0.000 2.983 396 F HA 0.222 4.749 4.527 0.001 0.000 0.307 396 F C 1.532 177.312 175.800 -0.033 0.000 1.218 396 F CA -0.015 57.987 58.000 0.003 0.000 1.323 396 F CB 0.204 39.171 39.000 -0.055 0.000 0.989 396 F HN 0.380 nan 8.300 nan 0.000 0.509 397 E N 1.211 121.488 120.200 0.128 0.000 2.112 397 E HA -0.143 4.207 4.350 0.001 0.000 0.190 397 E C 0.979 177.583 176.600 0.007 0.000 0.979 397 E CA 1.211 57.641 56.400 0.049 0.000 0.814 397 E CB 0.066 29.802 29.700 0.060 0.000 0.762 397 E HN 0.560 nan 8.360 nan 0.000 0.460 398 N N 0.466 119.192 118.700 0.043 0.000 2.336 398 N HA 0.044 4.785 4.740 0.001 0.000 0.189 398 N C -0.225 175.290 175.510 0.008 0.000 1.113 398 N CA -0.433 52.627 53.050 0.016 0.000 0.858 398 N CB 0.299 38.807 38.487 0.035 0.000 0.970 398 N HN 0.071 nan 8.380 nan 0.000 0.471 399 L N 1.821 123.061 121.223 0.029 0.000 2.654 399 L HA -0.044 4.296 4.340 0.001 0.000 0.271 399 L C 0.820 177.647 176.870 -0.072 0.000 1.169 399 L CA 0.804 55.639 54.840 -0.008 0.000 0.947 399 L CB 0.318 42.361 42.059 -0.027 0.000 1.232 399 L HN 0.107 nan 8.230 nan 0.000 0.486 400 E N 4.430 124.597 120.200 -0.056 0.000 2.244 400 E HA 0.277 4.628 4.350 0.001 0.000 0.196 400 E C -0.078 176.493 176.600 -0.049 0.000 0.939 400 E CA 0.213 56.574 56.400 -0.066 0.000 0.884 400 E CB 0.697 30.370 29.700 -0.046 0.000 0.850 400 E HN 0.629 nan 8.360 nan 0.000 0.481 401 I N 0.878 121.427 120.570 -0.034 0.000 2.722 401 I HA 0.341 4.511 4.170 0.001 0.000 0.295 401 I C -1.732 174.377 176.117 -0.014 0.000 1.161 401 I CA -0.801 60.492 61.300 -0.012 0.000 1.032 401 I CB 2.061 40.058 38.000 -0.005 0.000 1.244 401 I HN -0.120 nan 8.210 nan 0.000 0.421 402 I N 6.676 127.254 120.570 0.013 0.000 2.410 402 I HA 0.372 4.542 4.170 0.001 0.000 0.286 402 I C 0.502 176.641 176.117 0.036 0.000 1.009 402 I CA -0.555 60.751 61.300 0.010 0.000 1.111 402 I CB 1.892 39.909 38.000 0.029 0.000 1.262 402 I HN 0.586 nan 8.210 nan 0.000 0.443 403 R N 3.815 124.323 120.500 0.014 0.000 2.119 403 R HA 0.110 4.450 4.340 0.001 0.000 0.222 403 R C 1.360 177.685 176.300 0.043 0.000 1.088 403 R CA 1.207 57.320 56.100 0.021 0.000 0.984 403 R CB -0.148 30.142 30.300 -0.017 0.000 0.884 403 R HN 0.945 nan 8.270 nan 0.000 0.447 404 G N 0.440 109.270 108.800 0.049 0.000 2.246 404 G HA2 -0.336 3.625 3.960 0.001 0.000 0.273 404 G HA3 -0.336 3.625 3.960 0.001 0.000 0.273 404 G C 0.522 175.477 174.900 0.092 0.000 1.055 404 G CA 0.619 45.769 45.100 0.084 0.000 0.851 404 G HN 0.381 nan 8.290 nan 0.000 0.500 405 R N -0.285 120.231 120.500 0.027 0.000 2.280 405 R HA 0.094 4.435 4.340 0.001 0.000 0.207 405 R C 1.018 177.366 176.300 0.079 0.000 1.043 405 R CA 1.472 57.550 56.100 -0.036 0.000 1.006 405 R CB 0.055 30.142 30.300 -0.355 0.000 0.885 405 R HN 0.683 nan 8.270 nan 0.000 0.467 406 T N -1.566 113.059 114.554 0.118 0.000 2.993 406 T HA 0.547 4.897 4.350 0.001 0.000 0.312 406 T C -0.877 174.045 174.700 0.370 0.000 1.115 406 T CA -1.099 61.123 62.100 0.204 0.000 1.027 406 T CB 2.765 71.734 68.868 0.168 0.000 1.116 406 T HN -0.144 nan 8.240 nan 0.000 0.464 407 K N 1.077 121.627 120.400 0.248 0.000 2.477 407 K HA 0.484 4.804 4.320 0.001 0.000 0.255 407 K C -0.591 175.752 176.600 -0.427 0.000 0.952 407 K CA -1.093 55.184 56.287 -0.018 0.000 0.826 407 K CB 1.878 34.330 32.500 -0.079 0.000 1.331 407 K HN 0.414 nan 8.250 nan 0.000 0.437 408 Q N 2.071 121.228 119.800 -1.071 0.000 2.300 408 Q HA -0.036 4.304 4.340 0.001 0.000 0.280 408 Q C -0.206 175.556 176.000 -0.396 0.000 1.033 408 Q CA 1.211 56.471 55.803 -0.905 0.000 0.903 408 Q CB 0.173 28.284 28.738 -1.045 0.000 1.195 408 Q HN 0.668 nan 8.270 nan 0.000 0.386 409 H N 1.201 120.178 119.070 -0.155 0.000 3.904 409 H HA -0.249 4.308 4.556 0.001 0.000 0.189 409 H C 0.871 176.124 175.328 -0.125 0.000 0.960 409 H CA 1.635 57.620 56.048 -0.105 0.000 1.226 409 H CB -1.486 28.241 29.762 -0.059 0.000 1.078 409 H HN 0.936 nan 8.280 nan 0.000 0.347 410 G N 0.200 108.974 108.800 -0.044 0.000 2.207 410 G HA2 -0.217 3.743 3.960 0.001 0.000 0.216 410 G HA3 -0.217 3.743 3.960 0.001 0.000 0.216 410 G C 0.424 175.232 174.900 -0.154 0.000 1.053 410 G CA 1.262 46.319 45.100 -0.071 0.000 0.764 410 G HN 0.740 nan 8.290 nan 0.000 0.495 411 Q N -1.657 117.990 119.800 -0.254 0.000 2.419 411 Q HA 0.473 4.813 4.340 0.001 0.000 0.187 411 Q C -0.022 175.607 176.000 -0.618 0.000 0.686 411 Q CA -0.199 55.302 55.803 -0.503 0.000 0.897 411 Q CB 0.599 28.895 28.738 -0.736 0.000 1.263 411 Q HN 0.377 nan 8.270 nan 0.000 0.457 412 F N 1.782 121.578 119.950 -0.256 0.000 2.404 412 F HA 0.287 4.814 4.527 0.001 0.000 0.345 412 F C 1.104 176.762 175.800 -0.237 0.000 1.110 412 F CA -0.101 57.750 58.000 -0.248 0.000 1.130 412 F CB 1.808 40.642 39.000 -0.277 0.000 1.129 412 F HN 0.174 nan 8.300 nan 0.000 0.500 413 S N 1.687 117.430 115.700 0.071 0.000 2.497 413 S HA 0.259 4.730 4.470 0.001 0.000 0.218 413 S C -0.118 174.584 174.600 0.169 0.000 1.023 413 S CA -0.102 58.186 58.200 0.147 0.000 0.913 413 S CB 0.247 63.512 63.200 0.109 0.000 0.800 413 S HN 0.430 nan 8.310 nan 0.000 0.505 414 L N 1.536 122.834 121.223 0.124 0.000 2.404 414 L HA 0.814 5.155 4.340 0.001 0.000 0.272 414 L C -1.240 175.642 176.870 0.021 0.000 0.980 414 L CA -0.792 54.100 54.840 0.087 0.000 0.836 414 L CB 1.406 43.533 42.059 0.113 0.000 1.238 414 L HN 0.186 nan 8.230 nan 0.000 0.408 415 A N 5.228 128.038 122.820 -0.016 0.000 2.411 415 A HA 0.719 5.040 4.320 0.001 0.000 0.285 415 A C -1.395 176.145 177.584 -0.073 0.000 1.129 415 A CA -0.353 51.613 52.037 -0.119 0.000 0.736 415 A CB 1.281 20.155 19.000 -0.209 0.000 1.186 415 A HN 0.969 nan 8.150 nan 0.000 0.445 416 V N 1.334 121.202 119.914 -0.076 0.000 2.357 416 V HA 0.796 4.916 4.120 0.001 0.000 0.281 416 V C -0.211 175.850 176.094 -0.056 0.000 1.015 416 V CA -0.695 61.578 62.300 -0.046 0.000 0.827 416 V CB 0.322 32.129 31.823 -0.027 0.000 1.018 416 V HN 1.302 nan 8.190 nan 0.000 0.432 417 V N 0.789 120.674 119.914 -0.048 0.000 3.007 417 V HA 0.876 4.997 4.120 0.001 0.000 0.311 417 V C 0.330 176.422 176.094 -0.004 0.000 1.120 417 V CA -0.367 61.906 62.300 -0.045 0.000 0.980 417 V CB 1.507 33.278 31.823 -0.087 0.000 1.033 417 V HN 1.143 nan 8.190 nan 0.000 0.429 418 S N 1.624 117.327 115.700 0.006 0.000 3.812 418 S HA -0.089 4.381 4.470 0.001 0.000 0.341 418 S C -0.388 174.252 174.600 0.067 0.000 1.057 418 S CA 0.391 58.610 58.200 0.032 0.000 1.015 418 S CB -1.417 61.802 63.200 0.031 0.000 0.893 418 S HN 0.816 nan 8.310 nan 0.000 0.476 419 L N 1.698 122.961 121.223 0.066 0.000 2.329 419 L HA 0.475 4.815 4.340 0.001 0.000 0.279 419 L C 1.124 178.055 176.870 0.102 0.000 1.014 419 L CA -0.264 54.639 54.840 0.104 0.000 0.814 419 L CB 1.161 43.266 42.059 0.076 0.000 1.257 419 L HN 0.128 nan 8.230 nan 0.000 0.424 420 N N 2.450 121.230 118.700 0.133 0.000 2.434 420 N HA 0.062 4.803 4.740 0.001 0.000 0.196 420 N C 0.453 176.041 175.510 0.129 0.000 1.183 420 N CA 0.068 53.187 53.050 0.115 0.000 0.849 420 N CB 0.431 38.984 38.487 0.111 0.000 0.992 420 N HN 0.617 nan 8.380 nan 0.000 0.460 421 I N -1.985 118.671 120.570 0.143 0.000 2.696 421 I HA 0.073 4.244 4.170 0.001 0.000 0.284 421 I C 1.643 177.839 176.117 0.131 0.000 1.129 421 I CA -0.128 61.262 61.300 0.149 0.000 1.410 421 I CB 1.114 39.186 38.000 0.121 0.000 1.399 421 I HN -0.276 nan 8.210 nan 0.000 0.579 422 T N 2.710 117.354 114.554 0.150 0.000 3.014 422 T HA 0.025 4.376 4.350 0.001 0.000 0.263 422 T C 0.677 175.531 174.700 0.257 0.000 1.078 422 T CA 0.999 63.205 62.100 0.176 0.000 1.135 422 T CB -0.064 68.912 68.868 0.181 0.000 0.895 422 T HN 0.767 nan 8.240 nan 0.000 0.480 423 S N -1.454 114.372 115.700 0.210 0.000 2.537 423 S HA 0.510 4.981 4.470 0.001 0.000 0.271 423 S C 0.459 175.145 174.600 0.143 0.000 1.148 423 S CA -0.816 57.514 58.200 0.217 0.000 0.868 423 S CB 0.982 64.240 63.200 0.097 0.000 1.115 423 S HN 0.230 nan 8.310 nan 0.000 0.461 424 L N 3.067 124.398 121.223 0.180 0.000 1.943 424 L HA 0.135 4.476 4.340 0.001 0.000 0.215 424 L C 1.965 178.907 176.870 0.119 0.000 1.074 424 L CA 1.495 56.437 54.840 0.171 0.000 0.759 424 L CB -0.703 41.581 42.059 0.374 0.000 0.888 424 L HN 1.136 nan 8.230 nan 0.000 0.433 425 G N -0.416 108.487 108.800 0.172 0.000 2.140 425 G HA2 -0.225 3.736 3.960 0.001 0.000 0.211 425 G HA3 -0.225 3.736 3.960 0.001 0.000 0.211 425 G C -0.035 174.863 174.900 -0.004 0.000 1.013 425 G CA -0.253 44.899 45.100 0.087 0.000 0.705 425 G HN 0.204 nan 8.290 nan 0.000 0.508 426 L N 0.976 122.135 121.223 -0.106 0.000 2.475 426 L HA 0.366 4.707 4.340 0.001 0.000 0.253 426 L C 1.844 178.168 176.870 -0.911 0.000 1.137 426 L CA -0.628 53.935 54.840 -0.460 0.000 1.058 426 L CB 0.308 42.008 42.059 -0.599 0.000 1.382 426 L HN 0.401 nan 8.230 nan 0.000 0.416 427 R N -1.493 118.721 120.500 -0.476 0.000 2.320 427 R HA 0.151 4.492 4.340 0.001 0.000 0.211 427 R C 0.676 176.768 176.300 -0.346 0.000 0.931 427 R CA 0.172 56.019 56.100 -0.421 0.000 1.071 427 R CB 0.122 30.334 30.300 -0.146 0.000 1.025 427 R HN 0.332 nan 8.270 nan 0.000 0.495 428 S N 0.528 116.017 115.700 -0.353 0.000 2.527 428 S HA 0.118 4.588 4.470 0.001 0.000 0.227 428 S C 0.348 174.798 174.600 -0.249 0.000 1.059 428 S CA -0.555 57.511 58.200 -0.224 0.000 0.919 428 S CB 0.148 63.267 63.200 -0.134 0.000 0.805 428 S HN 0.132 nan 8.310 nan 0.000 0.500 429 L N 2.682 123.682 121.223 -0.371 0.000 2.678 429 L HA -0.012 4.328 4.340 0.001 0.000 0.285 429 L C 0.801 177.555 176.870 -0.193 0.000 1.233 429 L CA 0.860 55.524 54.840 -0.294 0.000 0.920 429 L CB 0.552 42.347 42.059 -0.440 0.000 1.176 429 L HN -0.016 nan 8.230 nan 0.000 0.495 430 K N 2.132 122.486 120.400 -0.077 0.000 2.538 430 K HA 0.312 4.633 4.320 0.001 0.000 0.215 430 K C -0.350 176.263 176.600 0.021 0.000 1.345 430 K CA 0.145 56.416 56.287 -0.027 0.000 0.985 430 K CB 0.472 32.953 32.500 -0.032 0.000 1.116 430 K HN 0.646 nan 8.250 nan 0.000 0.582 431 E N 0.282 120.507 120.200 0.041 0.000 2.343 431 E HA 0.316 4.666 4.350 0.001 0.000 0.278 431 E C -1.274 175.407 176.600 0.136 0.000 0.910 431 E CA -0.480 55.974 56.400 0.090 0.000 0.757 431 E CB 1.475 31.215 29.700 0.066 0.000 1.218 431 E HN 0.063 nan 8.360 nan 0.000 0.435 432 I N 3.781 124.488 120.570 0.228 0.000 2.750 432 I HA 0.093 4.263 4.170 0.001 0.000 0.279 432 I C 1.128 177.387 176.117 0.238 0.000 1.206 432 I CA -0.186 61.270 61.300 0.261 0.000 1.101 432 I CB 1.037 39.290 38.000 0.422 0.000 1.431 432 I HN 0.469 nan 8.210 nan 0.000 0.551 433 S N 2.318 118.106 115.700 0.146 0.000 2.426 433 S HA -0.272 4.198 4.470 0.001 0.000 0.259 433 S C 0.597 175.247 174.600 0.083 0.000 1.096 433 S CA 2.054 60.320 58.200 0.111 0.000 1.219 433 S CB -0.144 63.103 63.200 0.078 0.000 1.124 433 S HN 0.822 nan 8.310 nan 0.000 0.436 434 D N -2.453 117.975 120.400 0.047 0.000 2.643 434 D HA 0.524 5.164 4.640 0.001 0.000 0.283 434 D C -0.476 175.782 176.300 -0.070 0.000 1.242 434 D CA 0.687 54.668 54.000 -0.032 0.000 0.863 434 D CB 1.282 42.086 40.800 0.006 0.000 1.382 434 D HN 0.555 nan 8.370 nan 0.000 0.444 435 G N 0.861 109.569 108.800 -0.153 0.000 2.705 435 G HA2 0.036 3.997 3.960 0.001 0.000 0.686 435 G HA3 0.036 3.997 3.960 0.001 0.000 0.686 435 G C -1.100 173.646 174.900 -0.257 0.000 1.285 435 G CA -0.382 44.607 45.100 -0.184 0.000 0.800 435 G HN 0.545 nan 8.290 nan 0.000 0.611 436 D N -0.905 119.306 120.400 -0.316 0.000 2.312 436 D HA 0.509 5.150 4.640 0.001 0.000 0.248 436 D C 0.414 176.756 176.300 0.071 0.000 1.086 436 D CA 0.049 53.904 54.000 -0.242 0.000 0.948 436 D CB 2.033 42.597 40.800 -0.394 0.000 1.162 436 D HN 0.906 nan 8.370 nan 0.000 0.446 437 V N 1.804 121.768 119.914 0.082 0.000 2.495 437 V HA 0.583 4.704 4.120 0.001 0.000 0.298 437 V C -0.880 175.190 176.094 -0.040 0.000 1.031 437 V CA -0.647 61.679 62.300 0.042 0.000 0.871 437 V CB 1.288 33.039 31.823 -0.119 0.000 0.988 437 V HN 0.497 nan 8.190 nan 0.000 0.432 438 I N 7.281 127.767 120.570 -0.140 0.000 2.466 438 I HA 0.597 4.768 4.170 0.001 0.000 0.289 438 I C -1.231 174.742 176.117 -0.241 0.000 1.026 438 I CA -0.766 60.358 61.300 -0.293 0.000 1.078 438 I CB 1.514 39.084 38.000 -0.717 0.000 1.249 438 I HN 0.685 nan 8.210 nan 0.000 0.429 439 I N 6.606 127.066 120.570 -0.183 0.000 2.476 439 I HA 0.465 4.635 4.170 0.001 0.000 0.281 439 I C -0.573 175.494 176.117 -0.083 0.000 1.040 439 I CA -0.050 61.190 61.300 -0.101 0.000 1.094 439 I CB 1.537 39.518 38.000 -0.032 0.000 1.219 439 I HN 0.420 nan 8.210 nan 0.000 0.450 440 S N 2.474 118.125 115.700 -0.081 0.000 2.705 440 S HA 0.719 5.190 4.470 0.001 0.000 0.280 440 S C 0.493 175.070 174.600 -0.040 0.000 1.174 440 S CA -0.095 58.068 58.200 -0.061 0.000 0.823 440 S CB 1.800 64.950 63.200 -0.083 0.000 1.162 440 S HN 1.038 nan 8.310 nan 0.000 0.487 441 G N 1.960 110.744 108.800 -0.027 0.000 2.283 441 G HA2 -0.218 3.742 3.960 0.001 0.000 0.280 441 G HA3 -0.218 3.742 3.960 0.001 0.000 0.280 441 G C -0.491 174.412 174.900 0.005 0.000 1.029 441 G CA -0.038 45.055 45.100 -0.011 0.000 0.840 441 G HN 0.522 nan 8.290 nan 0.000 0.505 442 N N 0.678 119.383 118.700 0.009 0.000 2.976 442 N HA 0.176 4.916 4.740 0.001 0.000 0.255 442 N C 1.706 177.233 175.510 0.028 0.000 1.312 442 N CA 0.236 53.302 53.050 0.027 0.000 0.897 442 N CB 0.872 39.378 38.487 0.031 0.000 1.184 442 N HN 0.747 nan 8.380 nan 0.000 0.497 443 K N 1.582 121.999 120.400 0.028 0.000 2.056 443 K HA -0.304 4.016 4.320 0.001 0.000 0.225 443 K C 0.557 177.171 176.600 0.023 0.000 1.053 443 K CA 2.067 58.368 56.287 0.024 0.000 0.966 443 K CB -0.468 32.050 32.500 0.030 0.000 0.735 443 K HN 0.480 nan 8.250 nan 0.000 0.455 444 N N 0.714 119.436 118.700 0.037 0.000 2.376 444 N HA 0.170 4.910 4.740 0.001 0.000 0.249 444 N C -0.690 174.851 175.510 0.052 0.000 1.140 444 N CA -0.600 52.472 53.050 0.037 0.000 0.870 444 N CB 0.298 38.814 38.487 0.049 0.000 1.124 444 N HN 0.065 nan 8.380 nan 0.000 0.505 445 L N 1.226 122.478 121.223 0.048 0.000 2.276 445 L HA 0.400 4.740 4.340 0.001 0.000 0.286 445 L C -0.613 176.272 176.870 0.024 0.000 1.061 445 L CA -0.060 54.825 54.840 0.076 0.000 0.807 445 L CB 0.746 42.852 42.059 0.077 0.000 1.177 445 L HN 0.266 nan 8.230 nan 0.000 0.429 446 c N 2.039 120.652 118.600 0.022 0.000 3.277 446 c HA 0.549 5.119 4.570 0.001 0.000 0.367 446 c C 0.452 174.491 174.090 -0.086 0.000 1.949 446 c CA -0.456 55.728 56.329 -0.242 0.000 1.428 446 c CB 0.960 43.041 42.510 -0.715 0.000 2.409 446 c HN 0.970 nan 8.230 nan 0.000 0.460 447 Y N -1.098 119.192 120.300 -0.017 0.000 2.818 447 Y HA -0.390 4.160 4.550 0.001 0.000 0.487 447 Y C 2.180 178.014 175.900 -0.111 0.000 1.146 447 Y CA 1.769 59.832 58.100 -0.061 0.000 2.839 447 Y CB -2.355 36.071 38.460 -0.056 0.000 0.893 447 Y HN 0.787 nan 8.280 nan 0.000 0.545 448 A N 1.510 124.386 122.820 0.093 0.000 1.929 448 A HA -0.360 3.960 4.320 0.001 0.000 0.221 448 A C 1.701 179.341 177.584 0.093 0.000 1.211 448 A CA 2.606 54.683 52.037 0.067 0.000 0.657 448 A CB -1.467 17.635 19.000 0.170 0.000 0.827 448 A HN 0.870 nan 8.150 nan 0.000 0.462 449 N N -0.890 117.846 118.700 0.061 0.000 2.617 449 N HA -0.051 4.689 4.740 0.001 0.000 0.198 449 N C 0.595 176.119 175.510 0.023 0.000 1.317 449 N CA 1.159 54.247 53.050 0.064 0.000 0.892 449 N CB -0.313 38.183 38.487 0.015 0.000 1.041 449 N HN 0.570 nan 8.380 nan 0.000 0.450 450 T N -4.200 110.325 114.554 -0.048 0.000 3.080 450 T HA 0.236 4.586 4.350 0.001 0.000 0.280 450 T C 1.305 175.852 174.700 -0.256 0.000 0.926 450 T CA -0.396 61.637 62.100 -0.112 0.000 0.883 450 T CB -0.025 68.782 68.868 -0.102 0.000 1.194 450 T HN -0.001 nan 8.240 nan 0.000 0.541 451 I N 2.767 123.047 120.570 -0.483 0.000 2.657 451 I HA -0.069 4.102 4.170 0.001 0.000 0.261 451 I C 1.243 176.929 176.117 -0.718 0.000 1.212 451 I CA 0.834 61.568 61.300 -0.943 0.000 1.453 451 I CB -1.607 35.181 38.000 -2.019 0.000 1.092 451 I HN 0.561 nan 8.210 nan 0.000 0.452 452 N N 1.025 119.521 118.700 -0.340 0.000 2.607 452 N HA -0.239 4.502 4.740 0.001 0.000 0.285 452 N C 0.208 175.589 175.510 -0.216 0.000 1.151 452 N CA 0.328 53.294 53.050 -0.140 0.000 0.749 452 N CB -0.773 37.634 38.487 -0.134 0.000 0.923 452 N HN 0.309 nan 8.380 nan 0.000 0.552 453 W N 2.425 123.579 121.300 -0.243 0.000 2.678 453 W HA 0.110 4.770 4.660 0.001 0.000 0.256 453 W C 1.907 177.897 176.519 -0.882 0.000 1.280 453 W CA 0.349 57.411 57.345 -0.470 0.000 1.345 453 W CB -0.077 29.157 29.460 -0.376 0.000 1.118 453 W HN 0.308 nan 8.180 nan 0.000 0.629 454 K N 1.010 121.242 120.400 -0.280 0.000 2.304 454 K HA -0.220 4.100 4.320 0.001 0.000 0.204 454 K C 1.527 177.992 176.600 -0.225 0.000 1.044 454 K CA 1.588 57.759 56.287 -0.194 0.000 0.932 454 K CB -0.299 32.210 32.500 0.016 0.000 0.735 454 K HN 0.193 nan 8.250 nan 0.000 0.468 455 K N -0.801 119.450 120.400 -0.248 0.000 2.244 455 K HA 0.158 4.479 4.320 0.001 0.000 0.200 455 K C 1.383 177.892 176.600 -0.152 0.000 1.052 455 K CA 0.037 56.240 56.287 -0.140 0.000 0.980 455 K CB 0.181 32.624 32.500 -0.095 0.000 0.838 455 K HN -0.065 nan 8.250 nan 0.000 0.481 456 L N 1.298 122.372 121.223 -0.249 0.000 2.353 456 L HA -0.028 4.312 4.340 0.001 0.000 0.220 456 L C 0.743 177.636 176.870 0.038 0.000 1.133 456 L CA 1.516 56.301 54.840 -0.093 0.000 0.798 456 L CB -1.086 40.981 42.059 0.014 0.000 0.922 456 L HN 0.098 nan 8.230 nan 0.000 0.445 457 F N -2.981 117.060 119.950 0.152 0.000 2.613 457 F HA 0.724 5.251 4.527 0.001 0.000 0.314 457 F C 0.332 176.177 175.800 0.075 0.000 1.075 457 F CA -1.236 56.832 58.000 0.114 0.000 0.945 457 F CB 1.540 40.616 39.000 0.126 0.000 1.310 457 F HN -0.271 nan 8.300 nan 0.000 0.467 458 G N 1.094 110.105 108.800 0.352 0.000 4.138 458 G HA2 0.541 4.502 3.960 0.001 0.000 0.335 458 G HA3 0.541 4.502 3.960 0.001 0.000 0.335 458 G C -1.401 173.565 174.900 0.110 0.000 1.517 458 G CA -0.524 44.703 45.100 0.211 0.000 0.960 458 G HN 0.754 nan 8.290 nan 0.000 0.493 459 T N -0.331 114.265 114.554 0.070 0.000 2.942 459 T HA 0.335 4.686 4.350 0.001 0.000 0.327 459 T C -0.137 174.533 174.700 -0.049 0.000 1.360 459 T CA -0.547 61.544 62.100 -0.015 0.000 1.055 459 T CB 1.788 70.624 68.868 -0.054 0.000 1.261 459 T HN 0.317 nan 8.240 nan 0.000 0.485 460 S N 1.020 116.691 115.700 -0.048 0.000 2.546 460 S HA 0.393 4.864 4.470 0.001 0.000 0.290 460 S C 1.548 176.094 174.600 -0.090 0.000 1.290 460 S CA 1.444 59.613 58.200 -0.052 0.000 1.069 460 S CB -0.458 62.712 63.200 -0.050 0.000 0.846 460 S HN 1.697 nan 8.310 nan 0.000 0.495 461 G N 3.609 112.361 108.800 -0.080 0.000 2.148 461 G HA2 -0.231 3.730 3.960 0.001 0.000 0.254 461 G HA3 -0.231 3.730 3.960 0.001 0.000 0.254 461 G C -0.066 174.724 174.900 -0.183 0.000 0.981 461 G CA 0.329 45.364 45.100 -0.108 0.000 0.670 461 G HN 0.783 nan 8.290 nan 0.000 0.528 462 Q N 0.593 120.222 119.800 -0.285 0.000 2.281 462 Q HA 0.372 4.713 4.340 0.001 0.000 0.267 462 Q C 0.922 176.695 176.000 -0.379 0.000 1.053 462 Q CA 0.507 55.991 55.803 -0.532 0.000 0.905 462 Q CB 0.604 28.630 28.738 -1.186 0.000 1.195 462 Q HN 0.760 nan 8.270 nan 0.000 0.398 463 K N 0.612 120.858 120.400 -0.257 0.000 2.502 463 K HA 0.658 4.979 4.320 0.001 0.000 0.252 463 K C -0.390 176.171 176.600 -0.065 0.000 1.043 463 K CA -0.777 55.454 56.287 -0.093 0.000 0.999 463 K CB 1.451 33.902 32.500 -0.081 0.000 1.343 463 K HN 0.317 nan 8.250 nan 0.000 0.513 464 T N -0.030 114.503 114.554 -0.035 0.000 3.578 464 T HA 0.151 4.501 4.350 0.001 0.000 0.329 464 T C -1.853 172.789 174.700 -0.097 0.000 0.913 464 T CA -0.770 61.263 62.100 -0.111 0.000 1.029 464 T CB 0.514 69.219 68.868 -0.273 0.000 1.045 464 T HN 0.660 nan 8.240 nan 0.000 0.460 465 K N 6.565 126.936 120.400 -0.048 0.000 2.206 465 K HA 0.492 4.812 4.320 0.001 0.000 0.268 465 K C -0.419 176.115 176.600 -0.110 0.000 1.111 465 K CA -0.538 55.719 56.287 -0.049 0.000 0.955 465 K CB -0.063 32.441 32.500 0.007 0.000 1.406 465 K HN 0.636 nan 8.250 nan 0.000 0.427 466 I N 6.865 127.373 120.570 -0.102 0.000 2.503 466 I HA 0.320 4.490 4.170 0.001 0.000 0.277 466 I C -0.482 175.607 176.117 -0.047 0.000 1.078 466 I CA -0.566 60.682 61.300 -0.087 0.000 1.184 466 I CB 0.319 38.275 38.000 -0.075 0.000 1.353 466 I HN 0.401 nan 8.210 nan 0.000 0.490 467 I N 2.571 123.112 120.570 -0.049 0.000 2.846 467 I HA 0.357 4.528 4.170 0.001 0.000 0.307 467 I C 0.352 176.451 176.117 -0.029 0.000 1.053 467 I CA -0.940 60.340 61.300 -0.033 0.000 1.050 467 I CB 2.088 40.069 38.000 -0.032 0.000 1.239 467 I HN 0.396 nan 8.210 nan 0.000 0.439 468 S N 2.509 118.197 115.700 -0.021 0.000 3.386 468 S HA -0.181 4.290 4.470 0.001 0.000 0.403 468 S C 0.050 174.643 174.600 -0.013 0.000 0.893 468 S CA 0.593 58.783 58.200 -0.016 0.000 1.336 468 S CB -1.184 62.006 63.200 -0.017 0.000 0.925 468 S HN 0.864 nan 8.310 nan 0.000 0.589 469 N N 0.678 119.372 118.700 -0.010 0.000 2.784 469 N HA 0.381 5.121 4.740 0.001 0.000 0.227 469 N C 1.647 177.155 175.510 -0.004 0.000 1.109 469 N CA -0.043 53.006 53.050 -0.003 0.000 1.184 469 N CB 0.104 38.592 38.487 0.002 0.000 1.554 469 N HN 0.340 nan 8.380 nan 0.000 0.589 470 R N -0.208 120.283 120.500 -0.015 0.000 2.342 470 R HA 0.470 4.810 4.340 0.001 0.000 0.179 470 R C -0.841 175.441 176.300 -0.031 0.000 0.989 470 R CA 0.966 57.054 56.100 -0.021 0.000 1.125 470 R CB 0.598 30.878 30.300 -0.033 0.000 1.211 470 R HN 0.387 nan 8.270 nan 0.000 0.568 471 G N 0.254 109.027 108.800 -0.045 0.000 2.306 471 G HA2 -0.020 3.940 3.960 0.001 0.000 0.340 471 G HA3 -0.020 3.940 3.960 0.001 0.000 0.340 471 G C -0.593 174.268 174.900 -0.065 0.000 1.630 471 G CA -0.026 45.048 45.100 -0.045 0.000 0.937 471 G HN 0.182 nan 8.290 nan 0.000 0.693 472 E N 0.213 120.380 120.200 -0.056 0.000 2.051 472 E HA -0.049 4.301 4.350 0.001 0.000 0.189 472 E C 1.866 178.431 176.600 -0.058 0.000 0.979 472 E CA 0.829 57.191 56.400 -0.064 0.000 0.803 472 E CB 0.013 29.684 29.700 -0.048 0.000 0.761 472 E HN 0.425 nan 8.360 nan 0.000 0.451 473 N N -0.061 118.614 118.700 -0.042 0.000 2.463 473 N HA -0.058 4.682 4.740 0.001 0.000 0.181 473 N C 1.438 176.929 175.510 -0.032 0.000 1.078 473 N CA 0.493 53.523 53.050 -0.033 0.000 0.902 473 N CB 0.433 38.905 38.487 -0.024 0.000 0.970 473 N HN 0.014 nan 8.380 nan 0.000 0.451 474 S N -0.613 115.065 115.700 -0.037 0.000 2.475 474 S HA 0.039 4.509 4.470 0.001 0.000 0.224 474 S C 2.037 176.612 174.600 -0.042 0.000 1.042 474 S CA -0.135 58.046 58.200 -0.032 0.000 0.935 474 S CB -0.249 62.935 63.200 -0.026 0.000 0.801 474 S HN 0.412 nan 8.310 nan 0.000 0.509 475 c N 3.091 121.651 118.600 -0.067 0.000 2.467 475 c HA 0.120 4.690 4.570 0.001 0.000 0.279 475 c C 2.641 176.680 174.090 -0.085 0.000 1.347 475 c CA 1.139 57.412 56.329 -0.095 0.000 1.748 475 c CB -1.182 41.224 42.510 -0.172 0.000 1.977 475 c HN 0.784 nan 8.230 nan 0.000 0.501 476 K N 1.481 121.838 120.400 -0.072 0.000 2.207 476 K HA -0.216 4.105 4.320 0.001 0.000 0.208 476 K C 1.772 178.358 176.600 -0.024 0.000 1.046 476 K CA 2.107 58.366 56.287 -0.046 0.000 0.929 476 K CB -0.698 31.783 32.500 -0.032 0.000 0.720 476 K HN 0.506 nan 8.250 nan 0.000 0.463 477 A N 2.134 124.941 122.820 -0.021 0.000 1.881 477 A HA -0.104 4.216 4.320 0.001 0.000 0.208 477 A C 1.786 179.371 177.584 0.002 0.000 1.264 477 A CA 1.851 53.885 52.037 -0.006 0.000 0.629 477 A CB -1.343 17.653 19.000 -0.006 0.000 0.906 477 A HN 0.563 nan 8.150 nan 0.000 0.476 478 T N -1.912 112.645 114.554 0.004 0.000 4.508 478 T HA 0.496 4.847 4.350 0.001 0.000 0.232 478 T C 0.637 175.356 174.700 0.032 0.000 1.027 478 T CA 0.679 62.791 62.100 0.020 0.000 0.999 478 T CB -0.817 68.064 68.868 0.022 0.000 1.402 478 T HN 1.965 nan 8.240 nan 0.000 1.003 479 G N 0.907 109.730 108.800 0.038 0.000 2.254 479 G HA2 0.183 4.144 3.960 0.001 0.000 0.193 479 G HA3 0.183 4.144 3.960 0.001 0.000 0.193 479 G C -0.193 174.712 174.900 0.008 0.000 1.233 479 G CA 0.815 45.964 45.100 0.082 0.000 1.290 479 G HN 0.890 nan 8.290 nan 0.000 0.517 480 Q N -1.145 118.519 119.800 -0.226 0.000 1.675 480 Q HA -0.216 4.124 4.340 0.001 0.000 0.365 480 Q C 0.990 176.959 176.000 -0.052 0.000 0.856 480 Q CA 2.618 58.141 55.803 -0.467 0.000 0.832 480 Q CB -1.584 26.996 28.738 -0.264 0.000 3.604 480 Q HN 2.216 nan 8.270 nan 0.000 0.678 481 V N 0.290 120.193 119.914 -0.019 0.000 3.025 481 V HA -0.209 3.912 4.120 0.001 0.000 0.254 481 V C 1.597 177.784 176.094 0.155 0.000 1.718 481 V CA 1.298 63.643 62.300 0.075 0.000 1.602 481 V CB -0.704 31.154 31.823 0.059 0.000 0.914 481 V HN 1.143 nan 8.190 nan 0.000 0.528 482 c N 0.469 119.159 118.600 0.150 0.000 4.027 482 c HA 0.290 4.860 4.570 0.001 0.000 0.351 482 c C 0.852 175.005 174.090 0.105 0.000 1.634 482 c CA -0.150 56.253 56.329 0.123 0.000 1.897 482 c CB -1.434 41.142 42.510 0.111 0.000 2.949 482 c HN 0.988 nan 8.230 nan 0.000 0.684 483 H N 2.302 121.385 119.070 0.022 0.000 3.238 483 H HA 0.367 4.924 4.556 0.001 0.000 0.250 483 H C 0.588 175.922 175.328 0.009 0.000 0.826 483 H CA 1.802 57.855 56.048 0.009 0.000 1.409 483 H CB 0.014 29.778 29.762 0.003 0.000 1.458 483 H HN 0.823 nan 8.280 nan 0.000 0.514 484 A N 3.694 126.360 122.820 -0.257 0.000 3.550 484 A HA -0.135 4.185 4.320 0.001 0.000 0.098 484 A C 1.101 178.616 177.584 -0.115 0.000 1.302 484 A CA 0.114 51.994 52.037 -0.262 0.000 1.218 484 A CB -1.213 17.689 19.000 -0.162 0.000 0.888 484 A HN 0.443 nan 8.150 nan 0.000 0.419 485 L N 1.404 122.591 121.223 -0.060 0.000 2.141 485 L HA 0.113 4.453 4.340 0.001 0.000 0.209 485 L C 1.083 177.947 176.870 -0.011 0.000 1.094 485 L CA 1.081 55.903 54.840 -0.030 0.000 0.763 485 L CB -1.270 40.779 42.059 -0.018 0.000 0.908 485 L HN 0.506 nan 8.230 nan 0.000 0.437 486 c N 0.757 119.358 118.600 0.003 0.000 2.225 486 c HA 0.504 5.074 4.570 0.001 0.000 0.328 486 c C 1.205 175.318 174.090 0.037 0.000 1.187 486 c CA -1.096 55.245 56.329 0.019 0.000 1.665 486 c CB -0.607 41.918 42.510 0.026 0.000 2.253 486 c HN 0.312 nan 8.230 nan 0.000 0.497 487 S N 4.296 120.013 115.700 0.028 0.000 2.555 487 S HA -0.014 4.456 4.470 0.001 0.000 0.264 487 S C -1.285 173.343 174.600 0.047 0.000 1.378 487 S CA -0.054 58.170 58.200 0.039 0.000 0.996 487 S CB 0.057 63.269 63.200 0.018 0.000 0.869 487 S HN 0.586 nan 8.310 nan 0.000 0.546 488 P HA -0.076 nan 4.420 nan 0.000 0.231 488 P C 0.841 178.129 177.300 -0.020 0.000 1.154 488 P CA 0.724 63.833 63.100 0.015 0.000 0.762 488 P CB 0.145 31.849 31.700 0.006 0.000 0.790 489 E N -0.257 119.928 120.200 -0.025 0.000 2.051 489 E HA 0.178 4.528 4.350 0.001 0.000 0.189 489 E C 1.187 177.727 176.600 -0.100 0.000 0.979 489 E CA 1.292 57.657 56.400 -0.059 0.000 0.803 489 E CB -0.200 29.470 29.700 -0.050 0.000 0.761 489 E HN 0.170 nan 8.360 nan 0.000 0.451 490 G N -1.995 106.756 108.800 -0.081 0.000 2.315 490 G HA2 0.118 4.078 3.960 0.001 0.000 0.296 490 G HA3 0.118 4.078 3.960 0.001 0.000 0.296 490 G C -1.125 173.709 174.900 -0.111 0.000 1.289 490 G CA -0.652 44.377 45.100 -0.118 0.000 0.996 490 G HN 0.744 nan 8.290 nan 0.000 0.487 491 c N -4.037 114.464 118.600 -0.165 0.000 3.171 491 c HA 0.704 5.275 4.570 0.001 0.000 0.336 491 c C -0.368 173.592 174.090 -0.218 0.000 1.198 491 c CA -1.139 55.123 56.329 -0.112 0.000 1.319 491 c CB 0.641 43.144 42.510 -0.013 0.000 1.682 491 c HN 1.076 nan 8.230 nan 0.000 0.497 492 W N 2.422 123.648 121.300 -0.123 0.000 3.391 492 W HA 0.546 5.207 4.660 0.001 0.000 0.372 492 W C 1.136 177.507 176.519 -0.247 0.000 1.171 492 W CA 0.937 58.202 57.345 -0.133 0.000 1.862 492 W CB 0.328 29.717 29.460 -0.119 0.000 1.048 492 W HN 1.403 nan 8.180 nan 0.000 0.726 493 G N -0.430 108.203 108.800 -0.278 0.000 2.324 493 G HA2 0.055 4.016 3.960 0.001 0.000 0.293 493 G HA3 0.055 4.016 3.960 0.001 0.000 0.293 493 G C -2.533 172.041 174.900 -0.542 0.000 1.297 493 G CA -0.562 44.111 45.100 -0.712 0.000 0.853 493 G HN -0.309 nan 8.290 nan 0.000 0.535 494 P HA 0.110 nan 4.420 nan 0.000 0.218 494 P C 0.389 177.663 177.300 -0.044 0.000 1.151 494 P CA 0.550 63.598 63.100 -0.086 0.000 0.850 494 P CB 0.364 32.075 31.700 0.018 0.000 0.801 495 E N 1.160 121.322 120.200 -0.062 0.000 2.502 495 E HA -0.045 4.306 4.350 0.001 0.000 0.261 495 E C -1.615 174.973 176.600 -0.019 0.000 0.974 495 E CA -1.137 55.246 56.400 -0.029 0.000 0.936 495 E CB -0.043 29.640 29.700 -0.028 0.000 0.926 495 E HN 0.149 nan 8.360 nan 0.000 0.459 496 P HA -0.287 nan 4.420 nan 0.000 0.218 496 P C 1.114 178.413 177.300 -0.002 0.000 1.154 496 P CA 1.738 64.835 63.100 -0.005 0.000 0.872 496 P CB 0.056 31.753 31.700 -0.005 0.000 0.790 497 R N -0.554 119.944 120.500 -0.005 0.000 2.081 497 R HA -0.119 4.222 4.340 0.001 0.000 0.235 497 R C 1.370 177.674 176.300 0.007 0.000 1.131 497 R CA 1.723 57.822 56.100 -0.003 0.000 0.960 497 R CB -1.652 28.644 30.300 -0.008 0.000 0.856 497 R HN 0.136 nan 8.270 nan 0.000 0.436 498 D N 1.126 121.529 120.400 0.005 0.000 2.354 498 D HA -0.051 4.589 4.640 0.001 0.000 0.216 498 D C 0.492 176.843 176.300 0.085 0.000 0.970 498 D CA 0.457 54.479 54.000 0.037 0.000 0.905 498 D CB -0.467 40.316 40.800 -0.027 0.000 0.903 498 D HN 0.204 nan 8.370 nan 0.000 0.508 499 c N 0.191 118.818 118.600 0.046 0.000 2.692 499 c HA 0.006 4.576 4.570 0.001 0.000 0.409 499 c C 2.337 176.481 174.090 0.090 0.000 1.284 499 c CA -0.582 55.776 56.329 0.049 0.000 1.909 499 c CB 0.850 43.374 42.510 0.024 0.000 2.713 499 c HN 0.107 nan 8.230 nan 0.000 0.649 500 V N 1.687 121.645 119.914 0.072 0.000 2.672 500 V HA 0.084 4.205 4.120 0.001 0.000 0.242 500 V C 0.731 176.848 176.094 0.038 0.000 1.059 500 V CA 1.331 63.683 62.300 0.087 0.000 1.081 500 V CB 0.028 31.867 31.823 0.027 0.000 0.752 500 V HN 0.869 nan 8.190 nan 0.000 0.472 501 S N -1.280 114.431 115.700 0.018 0.000 2.677 501 S HA 0.398 4.868 4.470 0.001 0.000 0.283 501 S C -0.194 174.410 174.600 0.008 0.000 1.159 501 S CA -0.696 57.509 58.200 0.008 0.000 1.001 501 S CB 1.545 64.745 63.200 0.001 0.000 1.032 501 S HN 0.353 nan 8.310 nan 0.000 0.487 502 c N 1.973 120.576 118.600 0.005 0.000 2.611 502 c HA 0.550 5.120 4.570 0.001 0.000 0.248 502 c C 0.793 174.884 174.090 0.001 0.000 2.483 502 c CA -0.147 56.183 56.329 0.002 0.000 1.770 502 c CB -0.201 42.309 42.510 -0.001 0.000 1.900 502 c HN 0.851 nan 8.230 nan 0.000 0.545 503 R N 0.642 121.141 120.500 -0.002 0.000 2.515 503 R HA 0.344 4.684 4.340 0.001 0.000 0.291 503 R C -0.588 175.710 176.300 -0.003 0.000 1.046 503 R CA -0.101 55.998 56.100 -0.002 0.000 0.914 503 R CB -0.014 30.283 30.300 -0.005 0.000 1.191 503 R HN 0.706 nan 8.270 nan 0.000 0.435 504 N N 3.432 122.130 118.700 -0.002 0.000 2.746 504 N HA -0.200 4.541 4.740 0.001 0.000 0.250 504 N C -0.100 175.408 175.510 -0.003 0.000 1.055 504 N CA 1.204 54.253 53.050 -0.002 0.000 0.699 504 N CB -0.803 37.682 38.487 -0.003 0.000 0.919 504 N HN 0.662 nan 8.380 nan 0.000 0.548 505 V N -2.931 116.982 119.914 -0.002 0.000 1.453 505 V HA -0.433 3.688 4.120 0.001 0.000 0.040 505 V C 1.066 177.158 176.094 -0.003 0.000 1.460 505 V CA 1.893 64.191 62.300 -0.003 0.000 2.285 505 V CB -2.595 29.227 31.823 -0.003 0.000 1.629 505 V HN 1.246 nan 8.190 nan 0.000 0.876 506 S N 2.237 117.935 115.700 -0.004 0.000 2.593 506 S HA 0.284 4.754 4.470 0.001 0.000 0.303 506 S C 0.199 174.796 174.600 -0.004 0.000 1.267 506 S CA 0.907 59.105 58.200 -0.004 0.000 1.047 506 S CB 1.387 64.584 63.200 -0.006 0.000 0.777 506 S HN 1.259 nan 8.310 nan 0.000 0.498 507 R N 0.896 121.393 120.500 -0.005 0.000 4.167 507 R HA 0.734 5.074 4.340 0.001 0.000 0.251 507 R C 0.330 176.627 176.300 -0.005 0.000 0.942 507 R CA -0.362 55.735 56.100 -0.005 0.000 0.731 507 R CB -0.584 29.713 30.300 -0.005 0.000 1.870 507 R HN 1.954 nan 8.270 nan 0.000 0.379 508 G N -0.081 108.716 108.800 -0.005 0.000 2.337 508 G HA2 0.065 4.025 3.960 0.001 0.000 0.134 508 G HA3 0.065 4.025 3.960 0.001 0.000 0.134 508 G C -0.116 174.781 174.900 -0.006 0.000 1.052 508 G CA 0.350 45.447 45.100 -0.005 0.000 0.737 508 G HN 0.761 nan 8.290 nan 0.000 0.485 509 R N -1.469 119.027 120.500 -0.007 0.000 3.331 509 R HA -0.218 4.122 4.340 0.001 0.000 0.316 509 R C 1.371 177.666 176.300 -0.008 0.000 0.631 509 R CA 2.768 58.863 56.100 -0.008 0.000 1.595 509 R CB -1.501 28.795 30.300 -0.008 0.000 1.609 509 R HN 0.890 nan 8.270 nan 0.000 0.455 510 E N -0.782 119.414 120.200 -0.006 0.000 3.032 510 E HA 0.507 4.857 4.350 0.001 0.000 0.229 510 E C -0.196 176.401 176.600 -0.004 0.000 0.857 510 E CA -0.300 56.097 56.400 -0.005 0.000 1.257 510 E CB 0.733 30.429 29.700 -0.005 0.000 1.676 510 E HN 0.166 nan 8.360 nan 0.000 0.480 511 c N 1.381 119.978 118.600 -0.004 0.000 2.976 511 c HA 0.332 4.902 4.570 0.001 0.000 0.274 511 c C 0.598 174.684 174.090 -0.007 0.000 1.487 511 c CA -0.431 55.895 56.329 -0.005 0.000 1.789 511 c CB -0.948 41.560 42.510 -0.004 0.000 2.771 511 c HN 0.469 nan 8.230 nan 0.000 0.551 512 V N 0.000 119.910 119.914 -0.007 0.000 2.409 512 V HA 0.000 4.120 4.120 0.001 0.000 0.244 512 V CA 0.000 62.295 62.300 -0.008 0.000 1.235 512 V CB 0.000 31.819 31.823 -0.007 0.000 1.184 512 V HN 0.000 nan 8.190 nan 0.000 0.556