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 2ix0_1_A DATA FIRST_RESID 4 DATA SEQUENCE DDPLLAQLKQ QLHSQTPRAE GVVKATEXXF GFLEVDAQKS YFIPPPQMKK DATA SEQUENCE VMHGDRIIAV IHSEXXRESA EPEELVEPFL TRFVGKVQGK NDRLAIVPDH DATA SEQUENCE PLLKDAIPCR AARGLNHEFK EGDWAVAEMR RHPLKGDRSF YAELTQYITF DATA SEQUENCE GDDHFVPWWV TLARHNLEKE APDGVATEML DEGLVREDLT ALDFVTIDSA DATA SEQUENCE STEDMDDALF AKALPDDKLQ LIVAIADPTA WIAEGSKLDK AAKIRAFTNY DATA SEQUENCE LPGFNIPMLP RELSDDLCSL RANEVRPVLA CRMTLSADGT IEDNIEFFAA DATA SEQUENCE TIESKAKLVY DQVSDWLENT GDWQPESEAI AEQVRLLAQI CQRRGEWRHN DATA SEQUENCE HALVFKDRPD YRFILGEKGE VLDIVAEPRR IANRIVEEAM IAANICAARV DATA SEQUENCE LRDKLGFGIY NVHMGFDPAN ADALAALLKT HGLHVDAEEV LTLDGFCKLR DATA SEQUENCE RELDAQPTGF LDSRIRRFQS FAEISTEPGP HFGLGLEAYA TWTSPIRKYG DATA SEQUENCE DMINHRLLKA VIKGETATRP QDEITVQMAE RRRLNRMAER DVGDWLYARF DATA SEQUENCE LKDKAGTDTR FAAEIVDISR GGMRVRLVDN GAIAFIPAPF LHAVRDELVC DATA SEQUENCE SQENGTVQIK GETVYKVTDV IDVTIAEVRM ETRSIIARPV A 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 4 D HA 0.000 nan 4.640 nan 0.000 0.175 4 D C 0.000 176.295 176.300 -0.008 0.000 2.045 4 D CA 0.000 53.995 54.000 -0.009 0.000 0.868 4 D CB 0.000 40.793 40.800 -0.012 0.000 0.688 5 D N 1.637 122.033 120.400 -0.007 0.000 2.312 5 D HA 0.244 4.872 4.640 -0.020 0.000 0.252 5 D C -1.254 175.042 176.300 -0.007 0.000 1.150 5 D CA -2.057 51.940 54.000 -0.006 0.000 0.870 5 D CB 1.477 42.274 40.800 -0.005 0.000 1.153 5 D HN -0.041 nan 8.370 nan 0.000 0.457 6 P HA -0.210 nan 4.420 nan 0.000 0.216 6 P C 1.574 178.871 177.300 -0.004 0.000 1.150 6 P CA 0.507 63.604 63.100 -0.005 0.000 0.843 6 P CB 0.375 32.072 31.700 -0.004 0.000 0.787 7 L N -0.734 120.488 121.223 -0.003 0.000 1.994 7 L HA -0.124 4.205 4.340 -0.020 0.000 0.208 7 L C 2.650 179.519 176.870 -0.002 0.000 1.071 7 L CA 1.554 56.393 54.840 -0.002 0.000 0.745 7 L CB -2.143 39.915 42.059 -0.002 0.000 0.892 7 L HN -0.044 nan 8.230 nan 0.000 0.431 8 L N -0.519 120.702 121.223 -0.003 0.000 2.131 8 L HA -0.079 4.249 4.340 -0.020 0.000 0.210 8 L C 2.382 179.250 176.870 -0.004 0.000 1.092 8 L CA 1.916 56.754 54.840 -0.003 0.000 0.759 8 L CB -0.797 41.260 42.059 -0.004 0.000 0.903 8 L HN 0.195 nan 8.230 nan 0.000 0.435 9 A N -0.996 121.820 122.820 -0.007 0.000 1.897 9 A HA -0.209 4.099 4.320 -0.020 0.000 0.215 9 A C 2.254 179.835 177.584 -0.005 0.000 1.181 9 A CA 1.386 53.417 52.037 -0.010 0.000 0.620 9 A CB -0.676 18.316 19.000 -0.013 0.000 0.821 9 A HN 0.531 nan 8.150 nan 0.000 0.443 10 Q N -0.379 119.420 119.800 -0.002 0.000 2.096 10 Q HA -0.167 4.161 4.340 -0.020 0.000 0.204 10 Q C 1.840 177.845 176.000 0.007 0.000 0.982 10 Q CA 1.906 57.711 55.803 0.003 0.000 0.850 10 Q CB -0.590 28.150 28.738 0.002 0.000 0.901 10 Q HN 0.506 nan 8.270 nan 0.000 0.422 11 L N 0.435 121.661 121.223 0.006 0.000 2.017 11 L HA -0.131 4.198 4.340 -0.020 0.000 0.208 11 L C 1.821 178.701 176.870 0.015 0.000 1.073 11 L CA 1.980 56.825 54.840 0.009 0.000 0.745 11 L CB -0.531 41.532 42.059 0.005 0.000 0.894 11 L HN 0.126 nan 8.230 nan 0.000 0.432 12 K N -0.687 119.721 120.400 0.012 0.000 2.057 12 K HA -0.225 4.083 4.320 -0.020 0.000 0.206 12 K C 2.009 178.635 176.600 0.043 0.000 1.050 12 K CA 1.373 57.671 56.287 0.020 0.000 0.935 12 K CB -0.272 32.227 32.500 -0.001 0.000 0.715 12 K HN 0.487 nan 8.250 nan 0.000 0.439 13 Q N 1.907 121.724 119.800 0.028 0.000 2.062 13 Q HA -0.260 4.068 4.340 -0.020 0.000 0.209 13 Q C 1.821 177.868 176.000 0.078 0.000 0.996 13 Q CA 2.083 57.919 55.803 0.055 0.000 0.859 13 Q CB -0.583 28.172 28.738 0.028 0.000 0.920 13 Q HN 0.347 nan 8.270 nan 0.000 0.415 14 Q N -0.918 118.908 119.800 0.045 0.000 2.119 14 Q HA -0.074 4.254 4.340 -0.020 0.000 0.201 14 Q C 1.967 177.985 176.000 0.031 0.000 0.972 14 Q CA 1.096 56.918 55.803 0.031 0.000 0.847 14 Q CB -0.049 28.700 28.738 0.017 0.000 0.903 14 Q HN 0.325 nan 8.270 nan 0.000 0.433 15 L N 0.143 121.391 121.223 0.041 0.000 2.027 15 L HA -0.186 4.142 4.340 -0.020 0.000 0.206 15 L C 2.316 179.215 176.870 0.048 0.000 1.074 15 L CA 1.816 56.676 54.840 0.034 0.000 0.745 15 L CB -1.296 40.785 42.059 0.036 0.000 0.898 15 L HN 0.371 nan 8.230 nan 0.000 0.433 16 H N -1.531 117.530 119.070 -0.015 0.000 2.352 16 H HA -0.162 4.383 4.556 -0.019 0.000 0.299 16 H C 2.321 177.638 175.328 -0.018 0.000 1.097 16 H CA 1.718 57.757 56.048 -0.016 0.000 1.311 16 H CB 0.412 30.167 29.762 -0.012 0.000 1.377 16 H HN 0.323 nan 8.280 nan 0.000 0.504 17 S N 0.303 115.994 115.700 -0.015 0.000 2.402 17 S HA -0.172 4.286 4.470 -0.020 0.000 0.229 17 S C 1.920 176.470 174.600 -0.084 0.000 1.021 17 S CA 1.559 59.724 58.200 -0.057 0.000 0.974 17 S CB -0.094 63.112 63.200 0.010 0.000 0.800 17 S HN 0.681 nan 8.310 nan 0.000 0.484 18 Q N 0.525 120.286 119.800 -0.065 0.000 2.360 18 Q HA 0.312 4.640 4.340 -0.020 0.000 0.202 18 Q C 0.384 176.334 176.000 -0.084 0.000 0.915 18 Q CA 0.099 55.865 55.803 -0.061 0.000 0.943 18 Q CB -0.943 27.773 28.738 -0.036 0.000 1.064 18 Q HN 0.161 nan 8.270 nan 0.000 0.511 19 T N 4.145 118.623 114.554 -0.126 0.000 2.908 19 T HA 0.116 4.454 4.350 -0.020 0.000 0.301 19 T C -2.336 172.285 174.700 -0.133 0.000 1.019 19 T CA -0.715 61.299 62.100 -0.143 0.000 1.152 19 T CB 0.296 69.040 68.868 -0.207 0.000 0.966 19 T HN 0.239 nan 8.240 nan 0.000 0.540 20 P HA 0.206 nan 4.420 nan 0.000 0.264 20 P C -0.271 176.954 177.300 -0.126 0.000 1.193 20 P CA 0.100 63.134 63.100 -0.109 0.000 0.763 20 P CB 0.501 32.137 31.700 -0.107 0.000 0.810 21 R N 1.956 122.393 120.500 -0.105 0.000 2.795 21 R HA 0.902 5.230 4.340 -0.020 0.000 0.275 21 R C -1.071 175.180 176.300 -0.081 0.000 0.981 21 R CA -1.028 55.011 56.100 -0.101 0.000 0.917 21 R CB 2.453 32.699 30.300 -0.091 0.000 1.202 21 R HN 0.441 nan 8.270 nan 0.000 0.469 22 A N 1.119 123.891 122.820 -0.080 0.000 2.549 22 A HA 0.452 4.760 4.320 -0.020 0.000 0.297 22 A C -1.467 176.123 177.584 0.010 0.000 1.061 22 A CA -0.668 51.361 52.037 -0.012 0.000 0.690 22 A CB 1.975 20.988 19.000 0.023 0.000 1.287 22 A HN 0.761 nan 8.150 nan 0.000 0.402 23 E N 0.693 120.916 120.200 0.038 0.000 2.179 23 E HA 0.657 4.995 4.350 -0.020 0.000 0.275 23 E C 0.110 176.745 176.600 0.058 0.000 0.945 23 E CA -0.131 56.290 56.400 0.035 0.000 0.792 23 E CB 1.696 31.409 29.700 0.022 0.000 1.125 23 E HN 1.207 nan 8.360 nan 0.000 0.397 24 G N 1.220 110.050 108.800 0.049 0.000 2.488 24 G HA2 0.358 4.306 3.960 -0.020 0.000 0.301 24 G HA3 0.358 4.306 3.960 -0.020 0.000 0.301 24 G C -1.555 173.362 174.900 0.028 0.000 1.339 24 G CA -0.600 44.532 45.100 0.054 0.000 0.803 24 G HN 0.421 nan 8.290 nan 0.000 0.482 25 V N 0.251 120.173 119.914 0.014 0.000 2.483 25 V HA 0.529 4.637 4.120 -0.020 0.000 0.295 25 V C 0.381 176.439 176.094 -0.060 0.000 1.035 25 V CA -0.765 61.513 62.300 -0.037 0.000 0.896 25 V CB 1.509 33.300 31.823 -0.055 0.000 0.986 25 V HN 0.620 nan 8.190 nan 0.000 0.447 26 V N 5.424 125.266 119.914 -0.120 0.000 2.555 26 V HA 0.321 4.429 4.120 -0.020 0.000 0.286 26 V C 0.160 176.099 176.094 -0.258 0.000 1.044 26 V CA -0.327 61.897 62.300 -0.127 0.000 1.026 26 V CB 0.965 32.721 31.823 -0.113 0.000 0.981 26 V HN 0.736 nan 8.190 nan 0.000 0.480 27 K N 3.939 124.304 120.400 -0.059 0.000 2.376 27 K HA 0.777 5.085 4.320 -0.020 0.000 0.257 27 K C -0.216 176.499 176.600 0.192 0.000 0.939 27 K CA -0.264 56.073 56.287 0.083 0.000 0.809 27 K CB 2.149 34.754 32.500 0.174 0.000 1.121 27 K HN 0.724 nan 8.250 nan 0.000 0.425 28 A N 1.082 124.082 122.820 0.299 0.000 2.269 28 A HA 0.802 5.110 4.320 -0.020 0.000 0.327 28 A C 0.614 178.181 177.584 -0.027 0.000 1.112 28 A CA 0.075 52.148 52.037 0.060 0.000 0.865 28 A CB 1.445 20.447 19.000 0.003 0.000 1.227 28 A HN 0.772 nan 8.150 nan 0.000 0.498 29 T N -1.418 113.050 114.554 -0.142 0.000 3.414 29 T HA 0.129 4.467 4.350 -0.020 0.000 0.079 29 T C -0.257 174.279 174.700 -0.274 0.000 0.544 29 T CA 0.598 62.585 62.100 -0.189 0.000 0.560 29 T CB -1.057 67.723 68.868 -0.146 0.000 0.859 29 T HN 0.917 nan 8.240 nan 0.000 0.195 34 G N 0.518 109.193 108.800 -0.209 0.000 3.058 34 G HA2 0.769 4.717 3.960 -0.020 0.000 0.282 34 G HA3 0.769 4.717 3.960 -0.020 0.000 0.282 34 G C -2.296 172.191 174.900 -0.688 0.000 1.248 34 G CA -0.997 43.941 45.100 -0.271 0.000 0.822 34 G HN 0.628 nan 8.290 nan 0.000 0.579 35 F N -1.044 118.950 119.950 0.074 0.000 2.599 35 F HA 0.574 5.101 4.527 -0.001 0.000 0.311 35 F C -0.492 175.340 175.800 0.053 0.000 1.076 35 F CA -0.763 57.284 58.000 0.078 0.000 0.937 35 F CB 2.435 41.499 39.000 0.107 0.000 1.282 35 F HN 0.331 nan 8.300 nan 0.000 0.460 36 L N 2.479 123.869 121.223 0.279 0.000 2.259 36 L HA 0.366 4.694 4.340 -0.020 0.000 0.288 36 L C -0.086 176.912 176.870 0.213 0.000 1.051 36 L CA -0.092 54.873 54.840 0.209 0.000 0.824 36 L CB 0.602 42.794 42.059 0.222 0.000 1.206 36 L HN 0.661 nan 8.230 nan 0.000 0.429 37 E N 3.732 124.011 120.200 0.131 0.000 2.044 37 E HA 0.199 4.537 4.350 -0.020 0.000 0.282 37 E C -0.019 176.620 176.600 0.065 0.000 1.031 37 E CA -0.316 56.130 56.400 0.077 0.000 0.824 37 E CB 1.012 30.739 29.700 0.044 0.000 1.076 37 E HN 0.662 nan 8.360 nan 0.000 0.395 38 V N 4.010 123.964 119.914 0.067 0.000 2.575 38 V HA 0.021 4.129 4.120 -0.020 0.000 0.242 38 V C 0.511 176.627 176.094 0.037 0.000 1.045 38 V CA 1.708 64.053 62.300 0.076 0.000 1.065 38 V CB -0.357 31.543 31.823 0.128 0.000 0.717 38 V HN 0.878 nan 8.190 nan 0.000 0.467 39 D N -2.926 117.481 120.400 0.012 0.000 3.103 39 D HA 0.471 5.099 4.640 -0.020 0.000 0.337 39 D C 0.928 177.220 176.300 -0.014 0.000 1.356 39 D CA 0.089 54.091 54.000 0.002 0.000 0.951 39 D CB 0.864 41.666 40.800 0.005 0.000 1.438 39 D HN -0.025 nan 8.370 nan 0.000 0.562 40 A N -1.033 121.779 122.820 -0.013 0.000 1.940 40 A HA -0.138 4.170 4.320 -0.020 0.000 0.219 40 A C 1.531 179.094 177.584 -0.034 0.000 1.176 40 A CA 1.545 53.571 52.037 -0.019 0.000 0.631 40 A CB -0.595 18.398 19.000 -0.012 0.000 0.814 40 A HN 0.475 nan 8.150 nan 0.000 0.446 41 Q N -1.942 117.834 119.800 -0.039 0.000 2.115 41 Q HA 0.213 4.541 4.340 -0.020 0.000 0.249 41 Q C -0.953 175.000 176.000 -0.080 0.000 0.830 41 Q CA -0.092 55.678 55.803 -0.054 0.000 1.104 41 Q CB 0.861 29.576 28.738 -0.040 0.000 1.207 41 Q HN 0.255 nan 8.270 nan 0.000 0.464 42 K N 0.557 120.902 120.400 -0.092 0.000 2.565 42 K HA 0.491 4.799 4.320 -0.020 0.000 0.249 42 K C -1.478 175.012 176.600 -0.184 0.000 0.958 42 K CA -0.212 55.980 56.287 -0.159 0.000 0.806 42 K CB 1.661 34.087 32.500 -0.123 0.000 1.194 42 K HN -0.107 nan 8.250 nan 0.000 0.434 43 S N 2.466 117.998 115.700 -0.281 0.000 2.564 43 S HA 0.601 5.059 4.470 -0.020 0.000 0.274 43 S C -1.672 172.765 174.600 -0.272 0.000 1.124 43 S CA -0.611 57.486 58.200 -0.172 0.000 0.869 43 S CB 0.733 63.893 63.200 -0.066 0.000 1.105 43 S HN 0.390 nan 8.310 nan 0.000 0.472 44 Y N 0.768 121.204 120.300 0.226 0.000 2.409 44 Y HA 0.497 5.046 4.550 -0.003 0.000 0.343 44 Y C -0.184 175.924 175.900 0.347 0.000 0.973 44 Y CA -1.069 57.186 58.100 0.258 0.000 1.064 44 Y CB 0.897 39.450 38.460 0.155 0.000 1.207 44 Y HN 0.711 nan 8.280 nan 0.000 0.452 45 F N 4.666 124.817 119.950 0.335 0.000 2.578 45 F HA 0.288 4.801 4.527 -0.023 0.000 0.381 45 F C -0.437 175.331 175.800 -0.054 0.000 1.069 45 F CA -0.067 57.933 58.000 -0.000 0.000 1.231 45 F CB 0.073 39.050 39.000 -0.039 0.000 1.086 45 F HN 0.320 nan 8.300 nan 0.000 0.564 46 I N 9.004 129.115 120.570 -0.767 0.000 2.328 46 I HA 0.278 4.436 4.170 -0.020 0.000 0.287 46 I C -2.186 173.364 176.117 -0.946 0.000 1.012 46 I CA -2.265 58.680 61.300 -0.591 0.000 1.195 46 I CB 0.972 38.795 38.000 -0.296 0.000 1.350 46 I HN 0.453 nan 8.210 nan 0.000 0.464 47 P HA 0.070 nan 4.420 nan 0.000 0.268 47 P C -2.067 175.116 177.300 -0.195 0.000 1.208 47 P CA -1.023 61.850 63.100 -0.378 0.000 0.777 47 P CB 0.078 31.749 31.700 -0.048 0.000 0.875 48 P HA -0.116 nan 4.420 nan 0.000 0.218 48 P C -1.297 175.986 177.300 -0.028 0.000 1.148 48 P CA 2.248 65.333 63.100 -0.025 0.000 0.822 48 P CB -1.594 30.126 31.700 0.033 0.000 0.784 49 P HA -0.137 nan 4.420 nan 0.000 0.218 49 P C 1.666 178.947 177.300 -0.031 0.000 1.149 49 P CA 1.404 64.492 63.100 -0.020 0.000 0.817 49 P CB -0.415 31.274 31.700 -0.017 0.000 0.785 50 Q N -1.515 118.254 119.800 -0.053 0.000 2.137 50 Q HA 0.047 4.375 4.340 -0.020 0.000 0.198 50 Q C 2.079 178.052 176.000 -0.044 0.000 0.960 50 Q CA 0.963 56.734 55.803 -0.055 0.000 0.847 50 Q CB -0.725 27.964 28.738 -0.081 0.000 0.915 50 Q HN 0.285 nan 8.270 nan 0.000 0.448 51 M N 0.937 120.499 119.600 -0.064 0.000 2.146 51 M HA -0.232 4.236 4.480 -0.020 0.000 0.256 51 M C 1.760 178.068 176.300 0.014 0.000 1.075 51 M CA 1.543 56.818 55.300 -0.041 0.000 1.082 51 M CB -0.913 31.643 32.600 -0.073 0.000 1.355 51 M HN 0.158 nan 8.290 nan 0.000 0.402 52 K N 0.203 120.613 120.400 0.017 0.000 2.280 52 K HA -0.140 4.168 4.320 -0.020 0.000 0.202 52 K C 1.835 178.488 176.600 0.088 0.000 1.047 52 K CA 1.024 57.343 56.287 0.054 0.000 0.942 52 K CB -0.102 32.411 32.500 0.021 0.000 0.739 52 K HN 0.442 nan 8.250 nan 0.000 0.457 53 K N 0.595 121.022 120.400 0.044 0.000 2.365 53 K HA -0.009 4.299 4.320 -0.020 0.000 0.197 53 K C 0.731 177.392 176.600 0.102 0.000 1.042 53 K CA 0.293 56.580 56.287 0.000 0.000 0.987 53 K CB 0.382 32.891 32.500 0.015 0.000 0.779 53 K HN 0.011 nan 8.250 nan 0.000 0.484 54 V N -2.199 117.847 119.914 0.221 0.000 2.960 54 V HA 0.534 4.642 4.120 -0.020 0.000 0.315 54 V C -0.653 175.574 176.094 0.222 0.000 1.087 54 V CA -1.225 61.250 62.300 0.293 0.000 0.982 54 V CB 1.970 33.895 31.823 0.169 0.000 1.039 54 V HN -0.042 nan 8.190 nan 0.000 0.437 55 M N 1.757 121.435 119.600 0.130 0.000 2.508 55 M HA 0.501 4.969 4.480 -0.020 0.000 0.327 55 M C -0.245 175.980 176.300 -0.125 0.000 1.160 55 M CA -0.910 54.323 55.300 -0.113 0.000 0.980 55 M CB 1.413 33.889 32.600 -0.208 0.000 1.693 55 M HN 1.099 nan 8.290 nan 0.000 0.452 56 H N 1.856 120.766 119.070 -0.267 0.000 3.209 56 H HA 0.084 4.627 4.556 -0.021 0.000 0.297 56 H C 1.048 175.952 175.328 -0.707 0.000 0.936 56 H CA 2.460 58.273 56.048 -0.390 0.000 1.392 56 H CB 0.272 29.791 29.762 -0.405 0.000 1.349 56 H HN 0.813 nan 8.280 nan 0.000 0.568 57 G N 3.685 111.779 108.800 -1.177 0.000 2.199 57 G HA2 -0.282 3.666 3.960 -0.020 0.000 0.254 57 G HA3 -0.282 3.666 3.960 -0.020 0.000 0.254 57 G C -0.025 174.703 174.900 -0.288 0.000 0.982 57 G CA 0.131 44.600 45.100 -1.051 0.000 0.632 57 G HN 0.739 nan 8.290 nan 0.000 0.529 58 D N 0.469 120.780 120.400 -0.149 0.000 2.455 58 D HA 0.321 4.949 4.640 -0.020 0.000 0.241 58 D C 0.871 177.169 176.300 -0.004 0.000 1.138 58 D CA 0.136 54.158 54.000 0.036 0.000 0.877 58 D CB 0.658 41.532 40.800 0.124 0.000 1.187 58 D HN 0.466 nan 8.370 nan 0.000 0.451 59 R N 2.901 123.415 120.500 0.023 0.000 2.221 59 R HA 0.478 4.806 4.340 -0.020 0.000 0.327 59 R C -0.158 176.143 176.300 0.001 0.000 1.033 59 R CA -0.397 55.709 56.100 0.010 0.000 0.887 59 R CB 0.197 30.510 30.300 0.021 0.000 1.057 59 R HN 0.572 nan 8.270 nan 0.000 0.455 60 I N 0.999 121.570 120.570 0.003 0.000 3.174 60 I HA 0.523 4.681 4.170 -0.020 0.000 0.313 60 I C -1.099 175.019 176.117 0.001 0.000 1.155 60 I CA -1.382 59.916 61.300 -0.003 0.000 0.977 60 I CB 2.242 40.246 38.000 0.007 0.000 1.248 60 I HN 0.459 nan 8.210 nan 0.000 0.453 61 I N 2.625 123.191 120.570 -0.008 0.000 2.412 61 I HA 0.730 4.888 4.170 -0.020 0.000 0.296 61 I C -0.034 176.074 176.117 -0.016 0.000 0.987 61 I CA -0.575 60.718 61.300 -0.012 0.000 1.180 61 I CB 1.849 39.838 38.000 -0.018 0.000 1.340 61 I HN 0.804 nan 8.210 nan 0.000 0.455 62 A N 5.171 127.974 122.820 -0.029 0.000 2.414 62 A HA 0.589 4.897 4.320 -0.020 0.000 0.306 62 A C -0.560 176.983 177.584 -0.069 0.000 1.054 62 A CA -0.643 51.371 52.037 -0.038 0.000 0.724 62 A CB 1.752 20.730 19.000 -0.038 0.000 1.267 62 A HN 0.621 nan 8.150 nan 0.000 0.418 63 V N 3.638 123.525 119.914 -0.046 0.000 2.557 63 V HA 0.201 4.309 4.120 -0.020 0.000 0.301 63 V C -0.175 175.872 176.094 -0.078 0.000 1.026 63 V CA 0.228 62.495 62.300 -0.054 0.000 1.137 63 V CB -0.508 31.289 31.823 -0.044 0.000 0.917 63 V HN 0.515 nan 8.190 nan 0.000 0.484 64 I N 6.449 126.919 120.570 -0.167 0.000 2.395 64 I HA 0.448 4.606 4.170 -0.020 0.000 0.289 64 I C 0.125 176.168 176.117 -0.125 0.000 1.023 64 I CA 0.168 61.334 61.300 -0.224 0.000 1.350 64 I CB 0.531 38.305 38.000 -0.376 0.000 1.409 64 I HN 0.782 nan 8.210 nan 0.000 0.507 65 H N 2.973 121.989 119.070 -0.090 0.000 2.572 65 H HA 0.620 5.164 4.556 -0.021 0.000 0.359 65 H C -0.466 174.863 175.328 0.001 0.000 1.134 65 H CA -0.039 55.990 56.048 -0.030 0.000 1.187 65 H CB 1.720 31.476 29.762 -0.010 0.000 1.597 65 H HN 0.606 nan 8.280 nan 0.000 0.524 66 S N 1.825 117.585 115.700 0.099 0.000 2.709 66 S HA 0.652 5.110 4.470 -0.020 0.000 0.302 66 S C -0.980 173.672 174.600 0.086 0.000 1.127 66 S CA -0.974 57.277 58.200 0.085 0.000 0.905 66 S CB 2.378 65.604 63.200 0.044 0.000 1.151 66 S HN 0.724 nan 8.310 nan 0.000 0.510 71 E N 2.706 122.968 120.200 0.103 0.000 2.202 71 E HA 0.644 4.982 4.350 -0.020 0.000 0.272 71 E C -0.926 175.830 176.600 0.260 0.000 0.951 71 E CA -0.923 55.584 56.400 0.179 0.000 0.813 71 E CB 2.137 31.972 29.700 0.226 0.000 1.151 71 E HN 0.544 nan 8.360 nan 0.000 0.398 72 S N 0.350 116.192 115.700 0.236 0.000 2.618 72 S HA 0.784 5.242 4.470 -0.020 0.000 0.277 72 S C -1.033 173.629 174.600 0.104 0.000 1.138 72 S CA -0.943 57.410 58.200 0.254 0.000 0.844 72 S CB 1.618 64.974 63.200 0.261 0.000 1.127 72 S HN 0.824 nan 8.310 nan 0.000 0.474 73 A N 0.661 123.521 122.820 0.066 0.000 2.318 73 A HA 0.748 5.056 4.320 -0.020 0.000 0.324 73 A C -0.417 177.159 177.584 -0.014 0.000 1.170 73 A CA -0.585 51.433 52.037 -0.032 0.000 0.810 73 A CB 0.966 19.960 19.000 -0.010 0.000 1.198 73 A HN 0.883 nan 8.150 nan 0.000 0.484 74 E N 3.709 123.908 120.200 -0.002 0.000 2.149 74 E HA 0.395 4.733 4.350 -0.020 0.000 0.255 74 E C -2.700 173.901 176.600 0.003 0.000 0.888 74 E CA -2.137 54.263 56.400 -0.001 0.000 0.742 74 E CB 1.073 30.792 29.700 0.031 0.000 1.164 74 E HN 0.343 nan 8.360 nan 0.000 0.422 75 P HA -0.070 nan 4.420 nan 0.000 0.261 75 P C -0.260 177.049 177.300 0.015 0.000 1.173 75 P CA 0.632 63.737 63.100 0.009 0.000 0.760 75 P CB 0.820 32.534 31.700 0.024 0.000 0.783 76 E N 2.180 122.386 120.200 0.011 0.000 2.564 76 E HA 0.072 4.410 4.350 -0.020 0.000 0.203 76 E C -0.142 176.464 176.600 0.009 0.000 0.867 76 E CA 0.054 56.464 56.400 0.018 0.000 1.250 76 E CB 0.631 30.341 29.700 0.017 0.000 1.215 76 E HN 0.466 nan 8.360 nan 0.000 0.566 77 E N 0.969 121.166 120.200 -0.006 0.000 2.272 77 E HA 0.285 4.623 4.350 -0.020 0.000 0.269 77 E C -1.438 175.132 176.600 -0.050 0.000 0.877 77 E CA -0.539 55.847 56.400 -0.023 0.000 0.755 77 E CB 1.795 31.488 29.700 -0.012 0.000 1.192 77 E HN 0.087 nan 8.360 nan 0.000 0.422 78 L N 5.421 126.585 121.223 -0.098 0.000 2.290 78 L HA 0.184 4.512 4.340 -0.020 0.000 0.284 78 L C 0.519 177.340 176.870 -0.083 0.000 1.078 78 L CA -0.103 54.650 54.840 -0.145 0.000 0.815 78 L CB 1.330 43.206 42.059 -0.305 0.000 1.162 78 L HN 0.614 nan 8.230 nan 0.000 0.435 79 V N 3.557 123.439 119.914 -0.052 0.000 2.492 79 V HA 0.147 4.256 4.120 -0.020 0.000 0.241 79 V C 0.570 176.652 176.094 -0.019 0.000 1.041 79 V CA 0.726 63.010 62.300 -0.026 0.000 1.057 79 V CB 0.119 31.937 31.823 -0.010 0.000 0.711 79 V HN 0.745 nan 8.190 nan 0.000 0.468 80 E N 0.437 120.629 120.200 -0.014 0.000 2.343 80 E HA 0.279 4.617 4.350 -0.020 0.000 0.288 80 E C -2.955 173.662 176.600 0.029 0.000 0.907 80 E CA -1.685 54.719 56.400 0.007 0.000 0.792 80 E CB 3.015 32.729 29.700 0.023 0.000 1.275 80 E HN 0.127 nan 8.360 nan 0.000 0.402 81 P HA 0.059 nan 4.420 nan 0.000 0.275 81 P C 0.535 177.925 177.300 0.150 0.000 1.227 81 P CA -0.284 62.885 63.100 0.115 0.000 0.781 81 P CB 0.631 32.415 31.700 0.140 0.000 0.906 82 F N 3.137 123.084 119.950 -0.006 0.000 2.091 82 F HA -0.121 4.396 4.527 -0.018 0.000 0.299 82 F C 0.868 176.634 175.800 -0.055 0.000 1.103 82 F CA 1.560 59.527 58.000 -0.055 0.000 1.228 82 F CB -0.226 38.707 39.000 -0.112 0.000 0.984 82 F HN 0.172 nan 8.300 nan 0.000 0.477 83 L N 0.329 121.568 121.223 0.028 0.000 2.305 83 L HA 0.314 4.642 4.340 -0.020 0.000 0.284 83 L C 0.582 177.455 176.870 0.005 0.000 1.013 83 L CA 0.295 55.072 54.840 -0.105 0.000 0.819 83 L CB 1.269 43.202 42.059 -0.209 0.000 1.227 83 L HN 0.289 nan 8.230 nan 0.000 0.417 84 T N 1.645 116.219 114.554 0.032 0.000 3.166 84 T HA 0.327 4.665 4.350 -0.020 0.000 0.182 84 T C 0.692 175.528 174.700 0.227 0.000 0.810 84 T CA -0.372 61.796 62.100 0.113 0.000 1.441 84 T CB -0.188 68.722 68.868 0.070 0.000 2.201 84 T HN 0.412 nan 8.240 nan 0.000 0.414 85 R N 1.306 121.911 120.500 0.174 0.000 2.340 85 R HA 0.539 4.867 4.340 -0.020 0.000 0.300 85 R C -1.034 175.426 176.300 0.266 0.000 1.069 85 R CA -0.518 55.687 56.100 0.175 0.000 0.984 85 R CB 0.150 30.498 30.300 0.081 0.000 1.003 85 R HN 0.625 nan 8.270 nan 0.000 0.459 86 F N 1.516 121.470 119.950 0.007 0.000 2.779 86 F HA 0.555 5.070 4.527 -0.019 0.000 0.316 86 F C -1.531 174.298 175.800 0.048 0.000 1.164 86 F CA -1.222 56.786 58.000 0.014 0.000 0.924 86 F CB 0.647 39.651 39.000 0.007 0.000 1.348 86 F HN 0.199 nan 8.300 nan 0.000 0.467 87 V N -0.711 119.291 119.914 0.146 0.000 3.046 87 V HA 1.114 5.223 4.120 -0.020 0.000 0.316 87 V C -0.331 175.934 176.094 0.285 0.000 1.104 87 V CA -0.222 62.138 62.300 0.101 0.000 1.006 87 V CB 0.965 32.923 31.823 0.225 0.000 1.058 87 V HN 1.918 nan 8.190 nan 0.000 0.440 88 G N 1.210 110.138 108.800 0.212 0.000 2.451 88 G HA2 0.493 4.442 3.960 -0.020 0.000 0.292 88 G HA3 0.493 4.442 3.960 -0.020 0.000 0.292 88 G C -1.883 172.811 174.900 -0.345 0.000 1.427 88 G CA -1.125 43.986 45.100 0.017 0.000 0.792 88 G HN 0.823 nan 8.290 nan 0.000 0.498 89 K N 0.135 120.204 120.400 -0.552 0.000 2.185 89 K HA 0.614 4.923 4.320 -0.020 0.000 0.269 89 K C -0.044 176.407 176.600 -0.247 0.000 0.987 89 K CA -0.584 55.356 56.287 -0.577 0.000 0.865 89 K CB 2.292 34.362 32.500 -0.716 0.000 1.090 89 K HN 0.278 nan 8.250 nan 0.000 0.450 90 V N 3.336 123.160 119.914 -0.150 0.000 2.834 90 V HA 0.127 4.235 4.120 -0.020 0.000 0.301 90 V C -0.065 176.004 176.094 -0.042 0.000 1.066 90 V CA -0.323 61.931 62.300 -0.076 0.000 1.052 90 V CB 1.211 33.027 31.823 -0.012 0.000 1.021 90 V HN 0.810 nan 8.190 nan 0.000 0.480 91 Q N 1.968 121.746 119.800 -0.037 0.000 2.305 91 Q HA 0.649 4.977 4.340 -0.020 0.000 0.271 91 Q C -0.053 175.943 176.000 -0.007 0.000 1.046 91 Q CA -0.373 55.417 55.803 -0.020 0.000 0.798 91 Q CB 2.014 30.732 28.738 -0.033 0.000 1.286 91 Q HN 1.214 nan 8.270 nan 0.000 0.435 92 G N 2.353 111.157 108.800 0.007 0.000 2.414 92 G HA2 -0.233 3.715 3.960 -0.020 0.000 0.256 92 G HA3 -0.233 3.715 3.960 -0.020 0.000 0.256 92 G C -0.526 174.382 174.900 0.014 0.000 1.128 92 G CA 0.008 45.112 45.100 0.008 0.000 0.944 92 G HN 0.622 nan 8.290 nan 0.000 0.500 93 K N 0.439 120.852 120.400 0.022 0.000 2.156 93 K HA 0.254 4.562 4.320 -0.020 0.000 0.242 93 K C 1.791 178.408 176.600 0.028 0.000 1.033 93 K CA -0.204 56.102 56.287 0.032 0.000 0.878 93 K CB 0.454 32.978 32.500 0.039 0.000 1.057 93 K HN 0.277 nan 8.250 nan 0.000 0.505 94 N N 1.439 120.162 118.700 0.039 0.000 2.341 94 N HA -0.356 4.372 4.740 -0.020 0.000 0.204 94 N C 0.882 176.411 175.510 0.031 0.000 0.955 94 N CA 2.174 55.248 53.050 0.040 0.000 0.946 94 N CB -0.956 37.558 38.487 0.045 0.000 1.027 94 N HN 0.873 nan 8.380 nan 0.000 0.533 95 D N 0.645 121.059 120.400 0.023 0.000 2.421 95 D HA -0.141 4.487 4.640 -0.020 0.000 0.241 95 D C -0.481 175.833 176.300 0.024 0.000 1.114 95 D CA 0.459 54.471 54.000 0.021 0.000 1.018 95 D CB -0.190 40.619 40.800 0.014 0.000 0.872 95 D HN 0.328 nan 8.370 nan 0.000 0.508 96 R N -1.476 119.041 120.500 0.028 0.000 7.779 96 R HA 0.014 4.342 4.340 -0.020 0.000 0.256 96 R C -1.442 174.863 176.300 0.010 0.000 0.795 96 R CA -0.290 55.826 56.100 0.027 0.000 1.915 96 R CB -1.067 29.248 30.300 0.024 0.000 1.242 96 R HN 0.133 nan 8.270 nan 0.000 0.926 97 L N 2.435 123.653 121.223 -0.008 0.000 2.331 97 L HA 0.971 5.300 4.340 -0.020 0.000 0.275 97 L C 0.276 177.097 176.870 -0.082 0.000 1.022 97 L CA -0.775 54.038 54.840 -0.045 0.000 0.812 97 L CB 1.942 43.956 42.059 -0.074 0.000 1.257 97 L HN 0.760 nan 8.230 nan 0.000 0.435 98 A N 3.031 125.799 122.820 -0.086 0.000 2.527 98 A HA 0.851 5.160 4.320 -0.020 0.000 0.293 98 A C -1.462 176.063 177.584 -0.099 0.000 1.117 98 A CA -0.510 51.466 52.037 -0.101 0.000 0.723 98 A CB 2.023 20.983 19.000 -0.067 0.000 1.313 98 A HN 0.679 nan 8.150 nan 0.000 0.411 99 I N 1.032 121.556 120.570 -0.075 0.000 2.534 99 I HA 0.515 4.674 4.170 -0.020 0.000 0.288 99 I C -1.482 174.647 176.117 0.020 0.000 1.077 99 I CA -0.814 60.465 61.300 -0.035 0.000 1.051 99 I CB 1.858 39.841 38.000 -0.029 0.000 1.234 99 I HN 0.380 nan 8.210 nan 0.000 0.425 100 V N 9.239 129.144 119.914 -0.015 0.000 2.406 100 V HA 0.345 4.453 4.120 -0.020 0.000 0.272 100 V C -2.098 174.034 176.094 0.063 0.000 1.043 100 V CA -1.552 60.739 62.300 -0.017 0.000 0.915 100 V CB 0.830 32.616 31.823 -0.061 0.000 0.988 100 V HN 0.625 nan 8.190 nan 0.000 0.466 101 P HA 0.056 nan 4.420 nan 0.000 0.267 101 P C 0.471 177.869 177.300 0.163 0.000 1.200 101 P CA 0.035 63.256 63.100 0.201 0.000 0.772 101 P CB 0.715 32.355 31.700 -0.100 0.000 0.855 102 D N 0.703 121.253 120.400 0.250 0.000 2.269 102 D HA -0.140 4.488 4.640 -0.020 0.000 0.208 102 D C 0.274 176.643 176.300 0.114 0.000 0.963 102 D CA 0.454 54.577 54.000 0.205 0.000 0.864 102 D CB -0.850 40.166 40.800 0.359 0.000 0.936 102 D HN 0.495 nan 8.370 nan 0.000 0.505 103 H N 0.622 119.732 119.070 0.066 0.000 3.127 103 H HA -0.105 4.438 4.556 -0.021 0.000 0.237 103 H C -1.373 173.948 175.328 -0.012 0.000 0.761 103 H CA -0.393 55.676 56.048 0.035 0.000 1.454 103 H CB 0.774 30.586 29.762 0.084 0.000 1.382 103 H HN 0.194 nan 8.280 nan 0.000 0.479 104 P HA -0.206 nan 4.420 nan 0.000 0.216 104 P C 1.004 178.279 177.300 -0.042 0.000 1.150 104 P CA 0.902 63.913 63.100 -0.149 0.000 0.837 104 P CB 0.320 31.873 31.700 -0.245 0.000 0.786 105 L N -1.546 119.752 121.223 0.126 0.000 2.599 105 L HA 0.121 4.449 4.340 -0.020 0.000 0.230 105 L C 1.103 177.936 176.870 -0.063 0.000 1.141 105 L CA 0.512 55.329 54.840 -0.038 0.000 0.877 105 L CB -1.331 40.566 42.059 -0.270 0.000 1.009 105 L HN 0.009 nan 8.230 nan 0.000 0.447 106 L N 0.037 121.296 121.223 0.059 0.000 2.301 106 L HA 0.247 4.575 4.340 -0.020 0.000 0.278 106 L C 0.861 177.693 176.870 -0.064 0.000 1.022 106 L CA -0.247 54.565 54.840 -0.046 0.000 0.854 106 L CB 0.950 42.982 42.059 -0.046 0.000 1.226 106 L HN -0.080 nan 8.230 nan 0.000 0.429 107 K N -0.178 120.165 120.400 -0.095 0.000 2.354 107 K HA 0.130 4.438 4.320 -0.020 0.000 0.194 107 K C -0.087 176.459 176.600 -0.090 0.000 1.038 107 K CA 0.108 56.344 56.287 -0.084 0.000 1.052 107 K CB 0.429 32.877 32.500 -0.087 0.000 0.861 107 K HN 0.426 nan 8.250 nan 0.000 0.535 108 D N 0.842 121.171 120.400 -0.117 0.000 2.225 108 D HA 0.252 4.880 4.640 -0.020 0.000 0.249 108 D C -0.315 175.918 176.300 -0.112 0.000 1.052 108 D CA -0.242 53.689 54.000 -0.114 0.000 0.909 108 D CB 1.477 42.192 40.800 -0.142 0.000 1.186 108 D HN 0.085 nan 8.370 nan 0.000 0.431 109 A N 2.034 124.804 122.820 -0.082 0.000 2.401 109 A HA 0.409 4.717 4.320 -0.020 0.000 0.259 109 A C 0.131 177.667 177.584 -0.079 0.000 1.103 109 A CA -0.241 51.754 52.037 -0.071 0.000 0.789 109 A CB 0.040 19.007 19.000 -0.054 0.000 1.035 109 A HN 0.544 nan 8.150 nan 0.000 0.491 110 I N 4.034 124.557 120.570 -0.077 0.000 2.362 110 I HA 0.300 4.458 4.170 -0.020 0.000 0.289 110 I C -2.151 173.889 176.117 -0.128 0.000 0.994 110 I CA -2.277 58.975 61.300 -0.081 0.000 1.158 110 I CB 2.031 39.985 38.000 -0.077 0.000 1.315 110 I HN 0.419 nan 8.210 nan 0.000 0.451 111 P HA 0.035 nan 4.420 nan 0.000 0.266 111 P C -0.739 176.099 177.300 -0.769 0.000 1.195 111 P CA -0.220 62.712 63.100 -0.280 0.000 0.768 111 P CB 0.407 32.068 31.700 -0.064 0.000 0.838 112 C N 1.777 120.691 119.300 -0.643 0.000 3.332 112 C HA 0.957 5.405 4.460 -0.020 0.000 0.329 112 C C -0.876 173.954 174.990 -0.268 0.000 1.434 112 C CA -0.938 57.690 59.018 -0.650 0.000 1.314 112 C CB 2.012 29.543 27.740 -0.349 0.000 1.664 112 C HN 0.834 nan 8.230 nan 0.000 0.457 113 R N 0.751 121.191 120.500 -0.099 0.000 2.734 113 R HA 0.788 5.116 4.340 -0.020 0.000 0.271 113 R C -0.760 175.531 176.300 -0.014 0.000 1.021 113 R CA -0.090 56.015 56.100 0.008 0.000 0.893 113 R CB 1.126 31.513 30.300 0.145 0.000 1.244 113 R HN 1.778 nan 8.270 nan 0.000 0.464 114 A N 1.504 124.336 122.820 0.019 0.000 2.477 114 A HA 0.535 4.843 4.320 -0.020 0.000 0.246 114 A C 0.539 178.181 177.584 0.096 0.000 1.078 114 A CA 0.117 52.205 52.037 0.086 0.000 0.770 114 A CB -0.096 19.047 19.000 0.238 0.000 1.011 114 A HN 0.941 nan 8.150 nan 0.000 0.494 115 A N 3.189 126.065 122.820 0.094 0.000 2.520 115 A HA 0.354 4.663 4.320 -0.020 0.000 0.235 115 A C 0.825 178.461 177.584 0.087 0.000 1.065 115 A CA -0.054 52.034 52.037 0.085 0.000 0.764 115 A CB 0.007 19.053 19.000 0.076 0.000 1.002 115 A HN 0.894 nan 8.150 nan 0.000 0.502 116 R N 0.356 120.897 120.500 0.068 0.000 2.679 116 R HA 0.350 4.678 4.340 -0.020 0.000 0.268 116 R C 1.442 177.776 176.300 0.057 0.000 1.044 116 R CA 1.209 57.344 56.100 0.058 0.000 1.105 116 R CB 0.157 30.484 30.300 0.044 0.000 0.989 116 R HN 1.541 nan 8.270 nan 0.000 0.447 117 G N 1.729 110.560 108.800 0.052 0.000 2.205 117 G HA2 -0.296 3.652 3.960 -0.020 0.000 0.261 117 G HA3 -0.296 3.652 3.960 -0.020 0.000 0.261 117 G C 0.068 175.005 174.900 0.061 0.000 0.980 117 G CA -0.136 44.992 45.100 0.047 0.000 0.632 117 G HN 0.513 nan 8.290 nan 0.000 0.533 118 L N 1.527 122.802 121.223 0.088 0.000 2.334 118 L HA 0.340 4.668 4.340 -0.020 0.000 0.286 118 L C 1.568 178.499 176.870 0.103 0.000 1.108 118 L CA -0.346 54.567 54.840 0.123 0.000 0.875 118 L CB 0.354 42.531 42.059 0.196 0.000 1.246 118 L HN 0.219 nan 8.230 nan 0.000 0.439 119 N N 2.749 121.487 118.700 0.064 0.000 2.013 119 N HA -0.251 4.477 4.740 -0.020 0.000 0.195 119 N C 0.305 175.805 175.510 -0.017 0.000 1.051 119 N CA 1.046 54.108 53.050 0.021 0.000 0.851 119 N CB -0.250 38.241 38.487 0.006 0.000 1.044 119 N HN 0.687 nan 8.380 nan 0.000 0.422 120 H N 0.713 119.685 119.070 -0.162 0.000 2.972 120 H HA -0.183 4.361 4.556 -0.020 0.000 0.245 120 H C -0.438 174.658 175.328 -0.387 0.000 0.753 120 H CA 0.859 56.681 56.048 -0.378 0.000 1.475 120 H CB -0.152 29.211 29.762 -0.665 0.000 1.257 120 H HN 0.274 nan 8.280 nan 0.000 0.497 121 E N 5.251 124.811 120.200 -1.066 0.000 2.001 121 E HA 0.146 4.484 4.350 -0.020 0.000 0.279 121 E C -0.590 175.513 176.600 -0.829 0.000 1.045 121 E CA -0.569 55.417 56.400 -0.691 0.000 0.833 121 E CB 0.276 29.721 29.700 -0.425 0.000 1.077 121 E HN 0.375 nan 8.360 nan 0.000 0.397 122 F N 3.900 123.698 119.950 -0.254 0.000 2.495 122 F HA 0.121 4.636 4.527 -0.019 0.000 0.365 122 F C 0.817 176.608 175.800 -0.015 0.000 1.090 122 F CA 0.287 58.290 58.000 0.006 0.000 1.235 122 F CB 0.619 39.679 39.000 0.100 0.000 1.119 122 F HN 0.337 nan 8.300 nan 0.000 0.562 123 K N 0.964 121.491 120.400 0.210 0.000 2.352 123 K HA 0.549 4.857 4.320 -0.020 0.000 0.240 123 K C -1.036 175.661 176.600 0.160 0.000 1.017 123 K CA -1.138 55.230 56.287 0.136 0.000 0.851 123 K CB 0.914 33.453 32.500 0.064 0.000 1.261 123 K HN 0.388 nan 8.250 nan 0.000 0.451 124 E N 0.142 120.400 120.200 0.096 0.000 2.708 124 E HA 0.053 4.391 4.350 -0.020 0.000 0.260 124 E C 0.832 177.485 176.600 0.089 0.000 0.937 124 E CA 2.180 58.622 56.400 0.070 0.000 0.953 124 E CB -0.034 29.694 29.700 0.045 0.000 0.915 124 E HN 0.847 nan 8.360 nan 0.000 0.487 125 G N 3.006 111.833 108.800 0.045 0.000 2.253 125 G HA2 -0.276 3.672 3.960 -0.020 0.000 0.251 125 G HA3 -0.276 3.672 3.960 -0.020 0.000 0.251 125 G C -0.145 174.777 174.900 0.036 0.000 0.998 125 G CA 0.044 45.158 45.100 0.024 0.000 0.621 125 G HN 0.587 nan 8.290 nan 0.000 0.524 126 D N 0.194 120.701 120.400 0.179 0.000 2.455 126 D HA 0.350 4.978 4.640 -0.020 0.000 0.241 126 D C 0.249 176.680 176.300 0.218 0.000 1.138 126 D CA 0.111 54.325 54.000 0.357 0.000 0.877 126 D CB 0.300 41.461 40.800 0.602 0.000 1.187 126 D HN 0.324 nan 8.370 nan 0.000 0.451 127 W N 1.433 122.865 121.300 0.221 0.000 2.316 127 W HA 0.519 5.166 4.660 -0.021 0.000 0.311 127 W C 0.202 176.806 176.519 0.142 0.000 1.217 127 W CA -0.430 56.987 57.345 0.120 0.000 1.199 127 W CB 0.965 30.445 29.460 0.033 0.000 1.202 127 W HN 0.280 nan 8.180 nan 0.000 0.528 128 A N 2.452 125.447 122.820 0.291 0.000 2.423 128 A HA 0.814 5.122 4.320 -0.020 0.000 0.304 128 A C -1.227 176.378 177.584 0.034 0.000 1.104 128 A CA -0.775 51.371 52.037 0.183 0.000 0.757 128 A CB 1.057 20.075 19.000 0.030 0.000 1.313 128 A HN 0.326 nan 8.150 nan 0.000 0.423 129 V N 0.612 120.518 119.914 -0.013 0.000 2.607 129 V HA 0.683 4.791 4.120 -0.020 0.000 0.289 129 V C 0.603 176.550 176.094 -0.245 0.000 1.053 129 V CA 0.466 62.691 62.300 -0.124 0.000 0.996 129 V CB 1.041 32.835 31.823 -0.048 0.000 0.995 129 V HN 1.400 nan 8.190 nan 0.000 0.476 130 A N 3.823 126.362 122.820 -0.468 0.000 2.556 130 A HA 0.869 5.177 4.320 -0.020 0.000 0.294 130 A C -1.091 176.317 177.584 -0.294 0.000 1.091 130 A CA -0.709 51.024 52.037 -0.507 0.000 0.704 130 A CB 1.851 20.302 19.000 -0.915 0.000 1.300 130 A HN 0.650 nan 8.150 nan 0.000 0.406 131 E N 1.693 121.868 120.200 -0.042 0.000 2.224 131 E HA 0.345 4.683 4.350 -0.020 0.000 0.265 131 E C -0.799 175.937 176.600 0.226 0.000 0.878 131 E CA -0.813 55.664 56.400 0.128 0.000 0.759 131 E CB 1.650 31.401 29.700 0.084 0.000 1.164 131 E HN 0.628 nan 8.360 nan 0.000 0.414 132 M N 2.592 122.371 119.600 0.299 0.000 2.248 132 M HA 0.088 4.557 4.480 -0.020 0.000 0.345 132 M C 1.167 177.591 176.300 0.208 0.000 1.243 132 M CA 0.488 55.943 55.300 0.257 0.000 1.090 132 M CB 0.160 32.892 32.600 0.219 0.000 1.683 132 M HN 0.314 nan 8.290 nan 0.000 0.450 133 R N 1.536 122.172 120.500 0.226 0.000 2.412 133 R HA 0.256 4.584 4.340 -0.020 0.000 0.212 133 R C -0.013 176.394 176.300 0.179 0.000 0.878 133 R CA 0.255 56.471 56.100 0.192 0.000 1.022 133 R CB 0.784 31.207 30.300 0.206 0.000 1.265 133 R HN 0.520 nan 8.270 nan 0.000 0.620 134 R N 0.427 121.062 120.500 0.224 0.000 2.795 134 R HA 0.444 4.772 4.340 -0.020 0.000 0.275 134 R C -0.890 175.511 176.300 0.168 0.000 0.981 134 R CA -0.648 55.550 56.100 0.164 0.000 0.917 134 R CB 1.772 32.153 30.300 0.135 0.000 1.202 134 R HN 0.027 nan 8.270 nan 0.000 0.469 135 H N 2.048 121.079 119.070 -0.066 0.000 2.947 135 H HA 0.257 4.801 4.556 -0.021 0.000 0.354 135 H C -2.145 172.969 175.328 -0.357 0.000 1.085 135 H CA -1.728 54.157 56.048 -0.271 0.000 1.253 135 H CB 2.702 32.429 29.762 -0.058 0.000 1.757 135 H HN 0.085 nan 8.280 nan 0.000 0.523 136 P HA -0.120 nan 4.420 nan 0.000 0.217 136 P C 1.586 178.874 177.300 -0.019 0.000 1.151 136 P CA 1.122 64.064 63.100 -0.263 0.000 0.849 136 P CB 0.349 31.804 31.700 -0.408 0.000 0.787 137 L N -1.437 119.900 121.223 0.189 0.000 2.478 137 L HA -0.034 4.294 4.340 -0.020 0.000 0.223 137 L C 1.651 178.513 176.870 -0.014 0.000 1.140 137 L CA 0.857 55.730 54.840 0.054 0.000 0.842 137 L CB -0.447 41.607 42.059 -0.008 0.000 0.953 137 L HN -0.078 nan 8.230 nan 0.000 0.452 138 K N 0.257 120.658 120.400 0.002 0.000 2.437 138 K HA 0.213 4.521 4.320 -0.020 0.000 0.198 138 K C 1.204 177.798 176.600 -0.011 0.000 1.024 138 K CA 0.676 56.955 56.287 -0.013 0.000 1.148 138 K CB 0.695 33.197 32.500 0.003 0.000 0.860 138 K HN 0.315 nan 8.250 nan 0.000 0.515 139 G N 1.525 110.315 108.800 -0.017 0.000 2.176 139 G HA2 -0.181 3.767 3.960 -0.020 0.000 0.232 139 G HA3 -0.181 3.767 3.960 -0.020 0.000 0.232 139 G C -0.247 174.631 174.900 -0.038 0.000 0.986 139 G CA -0.231 44.854 45.100 -0.026 0.000 0.643 139 G HN 0.297 nan 8.290 nan 0.000 0.522 140 D N -0.352 120.020 120.400 -0.047 0.000 2.313 140 D HA 0.335 4.964 4.640 -0.020 0.000 0.247 140 D C 1.364 177.615 176.300 -0.081 0.000 1.094 140 D CA -0.375 53.590 54.000 -0.059 0.000 0.925 140 D CB 1.173 41.942 40.800 -0.051 0.000 1.188 140 D HN 0.248 nan 8.370 nan 0.000 0.430 141 R N 0.691 121.153 120.500 -0.064 0.000 2.096 141 R HA -0.092 4.236 4.340 -0.020 0.000 0.235 141 R C 0.643 176.899 176.300 -0.073 0.000 1.127 141 R CA 0.894 56.959 56.100 -0.058 0.000 0.968 141 R CB 0.261 30.539 30.300 -0.036 0.000 0.861 141 R HN 0.320 nan 8.270 nan 0.000 0.440 142 S N -1.511 114.153 115.700 -0.061 0.000 2.599 142 S HA 0.392 4.850 4.470 -0.020 0.000 0.287 142 S C -0.789 173.777 174.600 -0.056 0.000 1.105 142 S CA -0.960 57.222 58.200 -0.029 0.000 0.899 142 S CB 0.721 63.973 63.200 0.088 0.000 1.100 142 S HN 0.129 nan 8.310 nan 0.000 0.482 143 F N 2.411 122.365 119.950 0.006 0.000 2.553 143 F HA 0.389 4.903 4.527 -0.021 0.000 0.356 143 F C 0.068 175.949 175.800 0.135 0.000 1.142 143 F CA 0.698 58.702 58.000 0.006 0.000 1.322 143 F CB 0.410 39.359 39.000 -0.086 0.000 1.126 143 F HN 0.571 nan 8.300 nan 0.000 0.599 144 Y N 0.822 121.243 120.300 0.202 0.000 2.558 144 Y HA 0.601 5.139 4.550 -0.020 0.000 0.333 144 Y C -1.166 174.822 175.900 0.147 0.000 1.125 144 Y CA -1.186 56.993 58.100 0.132 0.000 1.039 144 Y CB 1.484 39.991 38.460 0.079 0.000 1.331 144 Y HN 0.698 nan 8.280 nan 0.000 0.456 145 A N 3.459 126.214 122.820 -0.109 0.000 2.454 145 A HA 0.649 4.957 4.320 -0.020 0.000 0.302 145 A C -1.490 176.093 177.584 -0.001 0.000 1.079 145 A CA -0.828 51.243 52.037 0.057 0.000 0.731 145 A CB 1.719 20.803 19.000 0.141 0.000 1.299 145 A HN 0.702 nan 8.150 nan 0.000 0.413 146 E N 1.388 121.636 120.200 0.081 0.000 2.174 146 E HA 0.503 4.841 4.350 -0.020 0.000 0.282 146 E C -1.040 175.527 176.600 -0.055 0.000 0.992 146 E CA -0.431 55.993 56.400 0.040 0.000 0.803 146 E CB 0.647 30.397 29.700 0.084 0.000 1.090 146 E HN 0.584 nan 8.360 nan 0.000 0.396 147 L N 4.446 125.599 121.223 -0.117 0.000 2.360 147 L HA 0.153 4.482 4.340 -0.020 0.000 0.276 147 L C 1.286 178.138 176.870 -0.030 0.000 1.121 147 L CA -0.044 54.692 54.840 -0.173 0.000 0.845 147 L CB 0.704 42.516 42.059 -0.412 0.000 1.143 147 L HN 0.756 nan 8.230 nan 0.000 0.452 148 T N -1.020 113.527 114.554 -0.012 0.000 2.990 148 T HA 0.100 4.438 4.350 -0.020 0.000 0.250 148 T C 0.401 175.155 174.700 0.089 0.000 1.041 148 T CA -0.119 62.007 62.100 0.043 0.000 1.010 148 T CB 0.517 69.395 68.868 0.017 0.000 1.003 148 T HN 0.573 nan 8.240 nan 0.000 0.499 149 Q N -0.090 119.784 119.800 0.123 0.000 2.320 149 Q HA 0.356 4.685 4.340 -0.020 0.000 0.272 149 Q C -2.187 173.976 176.000 0.271 0.000 1.023 149 Q CA -0.962 54.933 55.803 0.152 0.000 0.855 149 Q CB 2.185 30.959 28.738 0.060 0.000 1.367 149 Q HN 0.395 nan 8.270 nan 0.000 0.406 150 Y N 5.193 125.562 120.300 0.114 0.000 2.404 150 Y HA 0.265 4.803 4.550 -0.020 0.000 0.344 150 Y C 0.169 176.039 175.900 -0.050 0.000 0.995 150 Y CA 0.018 58.110 58.100 -0.012 0.000 1.201 150 Y CB 0.324 38.451 38.460 -0.555 0.000 1.151 150 Y HN 0.722 nan 8.280 nan 0.000 0.517 151 I N 2.995 123.324 120.570 -0.401 0.000 2.186 151 I HA -0.038 4.120 4.170 -0.020 0.000 0.228 151 I C 1.019 176.633 176.117 -0.839 0.000 1.062 151 I CA 1.195 62.222 61.300 -0.456 0.000 1.347 151 I CB -0.442 37.508 38.000 -0.084 0.000 1.122 151 I HN 0.635 nan 8.210 nan 0.000 0.402 152 T N -1.151 113.014 114.554 -0.648 0.000 2.665 152 T HA 0.430 4.768 4.350 -0.020 0.000 0.303 152 T C -1.556 173.183 174.700 0.065 0.000 1.334 152 T CA -0.807 61.011 62.100 -0.470 0.000 1.011 152 T CB 0.760 69.465 68.868 -0.272 0.000 1.573 152 T HN 0.121 nan 8.240 nan 0.000 0.492 153 F N 0.195 120.288 119.950 0.239 0.000 2.370 153 F HA 0.694 5.209 4.527 -0.020 0.000 0.324 153 F C 1.430 177.412 175.800 0.303 0.000 1.116 153 F CA -0.332 57.855 58.000 0.311 0.000 1.123 153 F CB 0.081 39.228 39.000 0.244 0.000 1.238 153 F HN 0.576 nan 8.300 nan 0.000 0.536 154 G N 0.520 109.557 108.800 0.396 0.000 2.462 154 G HA2 -0.231 3.717 3.960 -0.020 0.000 0.220 154 G HA3 -0.231 3.717 3.960 -0.020 0.000 0.220 154 G C 0.510 175.549 174.900 0.231 0.000 1.121 154 G CA 1.048 46.334 45.100 0.310 0.000 0.758 154 G HN 0.832 nan 8.290 nan 0.000 0.559 155 D N -0.334 120.189 120.400 0.206 0.000 2.501 155 D HA 0.091 4.719 4.640 -0.020 0.000 0.224 155 D C -0.043 176.168 176.300 -0.149 0.000 1.202 155 D CA -0.781 53.268 54.000 0.081 0.000 0.829 155 D CB -0.114 40.764 40.800 0.129 0.000 1.023 155 D HN 0.022 nan 8.370 nan 0.000 0.499 156 D N 0.862 120.938 120.400 -0.540 0.000 2.487 156 D HA -0.124 4.504 4.640 -0.020 0.000 0.243 156 D C 1.113 177.132 176.300 -0.469 0.000 1.154 156 D CA 0.225 53.749 54.000 -0.792 0.000 0.876 156 D CB 0.606 40.719 40.800 -1.144 0.000 1.161 156 D HN 0.165 nan 8.370 nan 0.000 0.478 157 H N 3.803 122.646 119.070 -0.379 0.000 2.518 157 H HA -0.120 4.424 4.556 -0.020 0.000 0.289 157 H C 1.071 176.045 175.328 -0.590 0.000 1.051 157 H CA 0.801 56.528 56.048 -0.535 0.000 1.280 157 H CB 0.031 29.307 29.762 -0.809 0.000 1.380 157 H HN 0.501 nan 8.280 nan 0.000 0.566 158 F N -0.848 119.044 119.950 -0.096 0.000 2.695 158 F HA 0.063 4.578 4.527 -0.020 0.000 0.303 158 F C 2.069 177.629 175.800 -0.401 0.000 1.091 158 F CA -0.384 57.491 58.000 -0.208 0.000 1.300 158 F CB 0.133 38.890 39.000 -0.405 0.000 1.071 158 F HN -0.179 nan 8.300 nan 0.000 0.578 159 V N 1.829 121.548 119.914 -0.325 0.000 2.308 159 V HA -0.416 3.693 4.120 -0.020 0.000 0.252 159 V C -0.044 175.382 176.094 -1.113 0.000 1.066 159 V CA 2.767 64.656 62.300 -0.685 0.000 1.104 159 V CB -1.878 29.562 31.823 -0.639 0.000 0.786 159 V HN 0.223 nan 8.190 nan 0.000 0.473 160 P HA -0.236 nan 4.420 nan 0.000 0.222 160 P C 1.522 178.222 177.300 -0.999 0.000 1.157 160 P CA 2.615 64.707 63.100 -1.681 0.000 0.905 160 P CB -0.224 30.480 31.700 -1.661 0.000 0.792 161 W N -2.039 118.814 121.300 -0.745 0.000 2.444 161 W HA -0.003 4.646 4.660 -0.019 0.000 0.308 161 W C 2.542 178.793 176.519 -0.448 0.000 1.183 161 W CA 0.828 57.781 57.345 -0.653 0.000 1.340 161 W CB -1.403 27.414 29.460 -1.072 0.000 1.138 161 W HN 0.071 nan 8.180 nan 0.000 0.510 162 W N 0.192 121.423 121.300 -0.115 0.000 2.409 162 W HA -0.140 4.508 4.660 -0.020 0.000 0.299 162 W C 2.209 178.582 176.519 -0.244 0.000 1.203 162 W CA 0.270 57.507 57.345 -0.180 0.000 1.298 162 W CB -1.058 28.261 29.460 -0.234 0.000 1.127 162 W HN -0.420 nan 8.180 nan 0.000 0.528 163 V N 0.550 120.341 119.914 -0.205 0.000 2.407 163 V HA -0.297 3.811 4.120 -0.020 0.000 0.248 163 V C 2.060 178.079 176.094 -0.125 0.000 1.055 163 V CA 2.373 64.492 62.300 -0.301 0.000 1.049 163 V CB -1.288 30.099 31.823 -0.726 0.000 0.662 163 V HN 0.219 nan 8.190 nan 0.000 0.455 164 T N 0.159 114.656 114.554 -0.094 0.000 2.770 164 T HA -0.079 4.259 4.350 -0.020 0.000 0.263 164 T C 1.902 176.648 174.700 0.077 0.000 1.039 164 T CA 1.083 63.186 62.100 0.005 0.000 1.142 164 T CB -0.282 68.595 68.868 0.016 0.000 0.868 164 T HN 0.132 nan 8.240 nan 0.000 0.435 165 L N 1.512 122.804 121.223 0.115 0.000 2.013 165 L HA -0.054 4.274 4.340 -0.020 0.000 0.212 165 L C 2.839 179.776 176.870 0.112 0.000 1.073 165 L CA 1.788 56.728 54.840 0.167 0.000 0.753 165 L CB -1.591 40.614 42.059 0.244 0.000 0.890 165 L HN 0.262 nan 8.230 nan 0.000 0.432 166 A N 0.104 122.964 122.820 0.068 0.000 1.877 166 A HA -0.241 4.067 4.320 -0.020 0.000 0.216 166 A C 2.411 179.987 177.584 -0.012 0.000 1.186 166 A CA 1.865 53.917 52.037 0.026 0.000 0.620 166 A CB -0.579 18.425 19.000 0.007 0.000 0.822 166 A HN 0.547 nan 8.150 nan 0.000 0.443 167 R N -1.331 119.121 120.500 -0.079 0.000 2.096 167 R HA -0.162 4.166 4.340 -0.020 0.000 0.235 167 R C 1.167 177.322 176.300 -0.241 0.000 1.127 167 R CA 1.810 57.803 56.100 -0.179 0.000 0.968 167 R CB -0.705 29.433 30.300 -0.269 0.000 0.861 167 R HN 0.609 nan 8.270 nan 0.000 0.440 168 H N 0.626 119.722 119.070 0.044 0.000 2.526 168 H HA 0.107 4.651 4.556 -0.020 0.000 0.274 168 H C 0.022 175.372 175.328 0.038 0.000 0.999 168 H CA 0.154 56.225 56.048 0.038 0.000 1.157 168 H CB -0.302 29.481 29.762 0.034 0.000 1.407 168 H HN 0.446 nan 8.280 nan 0.000 0.568 169 N N 0.935 119.695 118.700 0.099 0.000 2.725 169 N HA -0.188 4.540 4.740 -0.020 0.000 0.251 169 N C -0.910 174.652 175.510 0.086 0.000 1.031 169 N CA -0.144 52.951 53.050 0.075 0.000 0.720 169 N CB -0.827 37.695 38.487 0.059 0.000 0.930 169 N HN 0.258 nan 8.380 nan 0.000 0.543 170 L N 0.981 122.269 121.223 0.109 0.000 2.352 170 L HA 0.354 4.682 4.340 -0.020 0.000 0.269 170 L C 0.583 177.505 176.870 0.086 0.000 1.034 170 L CA -0.916 53.983 54.840 0.098 0.000 0.806 170 L CB 1.189 43.320 42.059 0.120 0.000 1.244 170 L HN 0.178 nan 8.230 nan 0.000 0.447 171 E N 1.683 121.921 120.200 0.063 0.000 2.343 171 E HA 0.107 4.445 4.350 -0.020 0.000 0.269 171 E C -0.639 176.017 176.600 0.094 0.000 1.047 171 E CA -0.405 56.028 56.400 0.055 0.000 0.874 171 E CB 0.859 30.572 29.700 0.020 0.000 1.033 171 E HN 0.497 nan 8.360 nan 0.000 0.409 172 K N 0.763 121.236 120.400 0.122 0.000 2.374 172 K HA 0.036 4.344 4.320 -0.020 0.000 0.196 172 K C 0.348 177.076 176.600 0.213 0.000 1.023 172 K CA 0.079 56.516 56.287 0.250 0.000 1.103 172 K CB 0.306 32.956 32.500 0.251 0.000 0.848 172 K HN 0.534 nan 8.250 nan 0.000 0.528 173 E N 1.063 121.311 120.200 0.080 0.000 2.288 173 E HA 0.484 4.822 4.350 -0.020 0.000 0.268 173 E C -0.895 175.690 176.600 -0.026 0.000 0.885 173 E CA -1.006 55.413 56.400 0.032 0.000 0.767 173 E CB 1.256 30.971 29.700 0.025 0.000 1.220 173 E HN -0.017 nan 8.360 nan 0.000 0.427 174 A N 2.877 125.668 122.820 -0.048 0.000 2.406 174 A HA 0.477 4.785 4.320 -0.020 0.000 0.243 174 A C -2.021 175.533 177.584 -0.048 0.000 1.082 174 A CA -0.827 51.170 52.037 -0.067 0.000 0.786 174 A CB -0.752 18.203 19.000 -0.076 0.000 1.029 174 A HN 0.609 nan 8.150 nan 0.000 0.495 175 P HA 0.187 nan 4.420 nan 0.000 0.274 175 P C -0.914 176.363 177.300 -0.038 0.000 1.246 175 P CA -0.439 62.636 63.100 -0.042 0.000 0.795 175 P CB 0.351 32.024 31.700 -0.044 0.000 1.006 176 D N 0.164 120.545 120.400 -0.031 0.000 2.371 176 D HA 0.224 4.852 4.640 -0.020 0.000 0.256 176 D C 1.006 177.289 176.300 -0.028 0.000 1.193 176 D CA 0.455 54.438 54.000 -0.027 0.000 0.881 176 D CB 0.374 41.161 40.800 -0.021 0.000 1.143 176 D HN 0.364 nan 8.370 nan 0.000 0.473 177 G N 1.172 109.953 108.800 -0.032 0.000 2.491 177 G HA2 0.347 4.295 3.960 -0.020 0.000 0.238 177 G HA3 0.347 4.295 3.960 -0.020 0.000 0.238 177 G C -0.176 174.712 174.900 -0.022 0.000 1.277 177 G CA -0.183 44.895 45.100 -0.035 0.000 0.851 177 G HN 0.341 nan 8.290 nan 0.000 0.573 178 V N 1.146 121.050 119.914 -0.015 0.000 2.876 178 V HA 0.626 4.734 4.120 -0.020 0.000 0.312 178 V C 0.630 176.731 176.094 0.012 0.000 1.085 178 V CA -0.672 61.629 62.300 0.003 0.000 0.945 178 V CB 1.883 33.716 31.823 0.016 0.000 1.017 178 V HN 1.203 nan 8.190 nan 0.000 0.428 179 A N 2.812 125.645 122.820 0.022 0.000 2.553 179 A HA 0.415 4.723 4.320 -0.020 0.000 0.258 179 A C 1.498 179.127 177.584 0.075 0.000 1.069 179 A CA 0.951 53.009 52.037 0.035 0.000 0.767 179 A CB -0.553 18.467 19.000 0.033 0.000 0.997 179 A HN 1.366 nan 8.150 nan 0.000 0.512 180 T N 1.897 116.507 114.554 0.092 0.000 2.555 180 T HA -0.138 4.200 4.350 -0.020 0.000 0.264 180 T C 0.878 175.780 174.700 0.338 0.000 1.083 180 T CA 1.763 63.993 62.100 0.215 0.000 1.179 180 T CB -0.661 nan 68.868 nan 0.000 0.863 180 T HN 0.970 nan 8.240 nan 0.000 0.412 181 E N 0.520 120.865 120.200 0.242 0.000 1.845 181 E HA -0.113 4.226 4.350 -0.020 0.000 0.361 181 E C -0.034 176.596 176.600 0.050 0.000 0.643 181 E CA -0.134 56.366 56.400 0.166 0.000 1.340 181 E CB -0.353 29.391 29.700 0.074 0.000 0.460 181 E HN 0.597 nan 8.360 nan 0.000 0.402 182 M N 4.528 124.048 119.600 -0.134 0.000 2.248 182 M HA 0.038 4.506 4.480 -0.020 0.000 0.345 182 M C -0.593 175.510 176.300 -0.328 0.000 1.243 182 M CA -0.352 54.593 55.300 -0.592 0.000 1.090 182 M CB 0.337 32.543 32.600 -0.658 0.000 1.683 182 M HN 0.392 nan 8.290 nan 0.000 0.450 183 L N 4.128 125.145 121.223 -0.342 0.000 2.395 183 L HA 0.230 4.558 4.340 -0.020 0.000 0.269 183 L C -0.371 176.406 176.870 -0.155 0.000 1.133 183 L CA 0.331 55.065 54.840 -0.177 0.000 0.812 183 L CB 1.035 43.016 42.059 -0.131 0.000 1.125 183 L HN 0.586 nan 8.230 nan 0.000 0.452 184 D N 2.072 122.414 120.400 -0.097 0.000 2.428 184 D HA 0.150 4.778 4.640 -0.020 0.000 0.221 184 D C 0.226 176.490 176.300 -0.061 0.000 1.123 184 D CA 0.036 53.989 54.000 -0.078 0.000 0.869 184 D CB 0.553 41.319 40.800 -0.057 0.000 1.032 184 D HN 0.574 nan 8.370 nan 0.000 0.506 185 E N 1.930 122.091 120.200 -0.065 0.000 2.476 185 E HA 0.218 4.556 4.350 -0.020 0.000 0.196 185 E C 1.254 177.831 176.600 -0.038 0.000 1.029 185 E CA -0.069 56.303 56.400 -0.047 0.000 0.896 185 E CB 0.421 30.092 29.700 -0.049 0.000 1.012 185 E HN 0.636 nan 8.360 nan 0.000 0.475 186 G N 2.033 110.810 108.800 -0.039 0.000 2.258 186 G HA2 -0.265 3.683 3.960 -0.020 0.000 0.274 186 G HA3 -0.265 3.683 3.960 -0.020 0.000 0.274 186 G C 0.129 175.013 174.900 -0.027 0.000 1.021 186 G CA -0.060 45.022 45.100 -0.031 0.000 0.798 186 G HN 0.120 nan 8.290 nan 0.000 0.507 187 L N -0.121 121.083 121.223 -0.032 0.000 2.439 187 L HA 0.371 4.700 4.340 -0.020 0.000 0.269 187 L C 1.002 177.865 176.870 -0.013 0.000 1.179 187 L CA -0.522 54.306 54.840 -0.020 0.000 0.828 187 L CB 1.489 43.533 42.059 -0.024 0.000 1.106 187 L HN -0.011 nan 8.230 nan 0.000 0.467 188 V N 5.161 125.077 119.914 0.003 0.000 2.339 188 V HA 0.280 4.388 4.120 -0.020 0.000 0.261 188 V C 0.650 176.764 176.094 0.033 0.000 1.058 188 V CA -0.693 61.612 62.300 0.009 0.000 0.897 188 V CB 0.106 31.928 31.823 -0.002 0.000 1.052 188 V HN 0.578 nan 8.190 nan 0.000 0.480 189 R N 3.972 124.486 120.500 0.024 0.000 2.248 189 R HA 0.256 4.584 4.340 -0.020 0.000 0.337 189 R C 0.140 176.473 176.300 0.055 0.000 1.085 189 R CA -0.293 55.835 56.100 0.047 0.000 0.934 189 R CB 0.790 31.098 30.300 0.013 0.000 1.034 189 R HN 0.681 nan 8.270 nan 0.000 0.465 190 E N 1.620 121.885 120.200 0.108 0.000 2.442 190 E HA -0.113 4.225 4.350 -0.020 0.000 0.262 190 E C -0.194 176.444 176.600 0.064 0.000 1.004 190 E CA 0.329 56.771 56.400 0.069 0.000 0.928 190 E CB 0.523 30.261 29.700 0.063 0.000 0.937 190 E HN 0.317 nan 8.360 nan 0.000 0.446 191 D N 4.301 124.716 120.400 0.024 0.000 2.517 191 D HA 0.033 4.661 4.640 -0.020 0.000 0.220 191 D C 0.728 177.039 176.300 0.019 0.000 1.158 191 D CA -0.014 53.995 54.000 0.016 0.000 0.992 191 D CB 0.162 40.963 40.800 0.002 0.000 1.058 191 D HN 0.420 nan 8.370 nan 0.000 0.516 192 L N 1.901 123.149 121.223 0.041 0.000 2.633 192 L HA -0.080 4.248 4.340 -0.020 0.000 0.235 192 L C 2.124 179.018 176.870 0.040 0.000 1.163 192 L CA 0.310 55.181 54.840 0.052 0.000 0.859 192 L CB -0.552 41.595 42.059 0.147 0.000 0.973 192 L HN 0.245 nan 8.230 nan 0.000 0.451 193 T N 0.558 115.122 114.554 0.016 0.000 2.803 193 T HA -0.191 4.148 4.350 -0.020 0.000 0.269 193 T C 2.044 176.761 174.700 0.028 0.000 1.052 193 T CA 1.520 63.632 62.100 0.020 0.000 1.136 193 T CB 0.025 68.898 68.868 0.009 0.000 0.864 193 T HN 0.551 nan 8.240 nan 0.000 0.467 194 A N 0.771 123.597 122.820 0.010 0.000 1.969 194 A HA 0.164 4.472 4.320 -0.020 0.000 0.218 194 A C 1.059 178.644 177.584 0.002 0.000 1.169 194 A CA 0.649 52.689 52.037 0.006 0.000 0.635 194 A CB -0.515 18.482 19.000 -0.006 0.000 0.810 194 A HN 0.487 nan 8.150 nan 0.000 0.445 195 L N 0.866 122.063 121.223 -0.043 0.000 2.461 195 L HA 0.059 4.387 4.340 -0.020 0.000 0.272 195 L C -0.409 176.472 176.870 0.020 0.000 1.197 195 L CA -0.380 54.359 54.840 -0.167 0.000 0.836 195 L CB 0.247 41.961 42.059 -0.576 0.000 1.105 195 L HN 0.209 nan 8.230 nan 0.000 0.477 196 D N 2.866 123.334 120.400 0.114 0.000 2.713 196 D HA 0.188 4.816 4.640 -0.020 0.000 0.229 196 D C -0.167 176.276 176.300 0.239 0.000 1.136 196 D CA 0.142 54.264 54.000 0.202 0.000 1.010 196 D CB -0.157 40.753 40.800 0.182 0.000 1.084 196 D HN 0.120 nan 8.370 nan 0.000 0.495 197 F N 0.915 120.971 119.950 0.178 0.000 2.471 197 F HA 0.116 4.631 4.527 -0.020 0.000 0.353 197 F C 1.046 176.909 175.800 0.105 0.000 1.113 197 F CA -0.325 57.773 58.000 0.164 0.000 1.262 197 F CB 0.889 39.940 39.000 0.085 0.000 1.146 197 F HN -0.028 nan 8.300 nan 0.000 0.578 198 V N -0.479 119.593 119.914 0.263 0.000 2.925 198 V HA 0.788 4.896 4.120 -0.020 0.000 0.311 198 V C -0.495 175.673 176.094 0.123 0.000 1.104 198 V CA -0.849 61.541 62.300 0.150 0.000 0.954 198 V CB 1.402 33.281 31.823 0.093 0.000 1.022 198 V HN 0.790 nan 8.190 nan 0.000 0.427 199 T N 1.089 115.675 114.554 0.054 0.000 2.929 199 T HA 0.831 5.169 4.350 -0.020 0.000 0.284 199 T C -0.415 174.236 174.700 -0.081 0.000 1.014 199 T CA -0.601 61.496 62.100 -0.004 0.000 1.051 199 T CB 1.492 70.346 68.868 -0.024 0.000 1.028 199 T HN 0.805 nan 8.240 nan 0.000 0.485 200 I N 2.125 122.601 120.570 -0.156 0.000 2.517 200 I HA 0.385 4.543 4.170 -0.020 0.000 0.280 200 I C -1.246 174.494 176.117 -0.628 0.000 1.061 200 I CA -0.700 60.400 61.300 -0.333 0.000 1.091 200 I CB 1.401 39.260 38.000 -0.235 0.000 1.205 200 I HN 0.679 nan 8.210 nan 0.000 0.459 201 D N 2.440 122.444 120.400 -0.661 0.000 2.585 201 D HA 0.440 5.068 4.640 -0.020 0.000 0.254 201 D C -0.102 175.825 176.300 -0.621 0.000 1.067 201 D CA -0.397 53.200 54.000 -0.672 0.000 1.090 201 D CB 1.224 41.879 40.800 -0.241 0.000 1.408 201 D HN 0.434 nan 8.370 nan 0.000 0.554 202 S N -0.377 115.247 115.700 -0.127 0.000 2.580 202 S HA 0.325 4.783 4.470 -0.020 0.000 0.266 202 S C 1.472 176.039 174.600 -0.054 0.000 1.354 202 S CA -0.100 58.133 58.200 0.054 0.000 1.008 202 S CB 0.919 64.202 63.200 0.137 0.000 0.898 202 S HN 0.584 nan 8.310 nan 0.000 0.555 203 A N 2.393 125.191 122.820 -0.036 0.000 1.909 203 A HA -0.204 4.104 4.320 -0.020 0.000 0.221 203 A C 2.497 180.060 177.584 -0.035 0.000 1.223 203 A CA 2.982 54.990 52.037 -0.048 0.000 0.658 203 A CB -2.031 16.942 19.000 -0.045 0.000 0.831 203 A HN 1.500 nan 8.150 nan 0.000 0.462 204 S N -0.356 115.336 115.700 -0.013 0.000 2.428 204 S HA -0.014 4.444 4.470 -0.020 0.000 0.230 204 S C 1.033 175.627 174.600 -0.010 0.000 1.014 204 S CA 0.857 59.053 58.200 -0.006 0.000 0.957 204 S CB -1.376 61.830 63.200 0.010 0.000 0.784 204 S HN 0.765 nan 8.310 nan 0.000 0.499 205 T N 1.865 116.410 114.554 -0.016 0.000 2.888 205 T HA 0.256 4.594 4.350 -0.020 0.000 0.301 205 T C 0.264 174.948 174.700 -0.028 0.000 1.001 205 T CA -0.356 61.735 62.100 -0.016 0.000 1.147 205 T CB 0.665 69.521 68.868 -0.020 0.000 0.931 205 T HN 0.140 nan 8.240 nan 0.000 0.541 206 E N 1.106 121.293 120.200 -0.021 0.000 2.601 206 E HA 0.053 4.391 4.350 -0.020 0.000 0.219 206 E C 0.066 176.648 176.600 -0.030 0.000 0.964 206 E CA -0.040 56.344 56.400 -0.027 0.000 1.050 206 E CB 0.497 30.181 29.700 -0.025 0.000 1.068 206 E HN 0.887 nan 8.360 nan 0.000 0.496 207 D N 1.184 121.569 120.400 -0.025 0.000 2.943 207 D HA 0.027 4.655 4.640 -0.020 0.000 0.347 207 D C 0.535 176.821 176.300 -0.024 0.000 1.305 207 D CA -0.570 53.414 54.000 -0.026 0.000 0.870 207 D CB -0.083 40.708 40.800 -0.016 0.000 1.081 207 D HN -0.171 nan 8.370 nan 0.000 0.492 208 M N -0.298 119.283 119.600 -0.031 0.000 2.620 208 M HA 0.064 4.532 4.480 -0.020 0.000 0.378 208 M C 0.091 176.374 176.300 -0.027 0.000 1.764 208 M CA 0.468 55.749 55.300 -0.032 0.000 1.103 208 M CB 0.204 32.779 32.600 -0.042 0.000 2.145 208 M HN -0.054 nan 8.290 nan 0.000 0.473 209 D N 2.037 122.421 120.400 -0.027 0.000 2.234 209 D HA -0.013 4.615 4.640 -0.020 0.000 0.205 209 D C 0.198 176.473 176.300 -0.041 0.000 0.962 209 D CA 1.114 55.096 54.000 -0.030 0.000 0.855 209 D CB 0.620 41.401 40.800 -0.032 0.000 0.951 209 D HN 0.832 nan 8.370 nan 0.000 0.500 210 D N -1.265 119.110 120.400 -0.041 0.000 2.583 210 D HA 0.523 5.152 4.640 -0.020 0.000 0.248 210 D C -1.312 174.985 176.300 -0.005 0.000 1.209 210 D CA -0.921 53.052 54.000 -0.046 0.000 0.848 210 D CB 2.318 43.073 40.800 -0.075 0.000 1.431 210 D HN -0.108 nan 8.370 nan 0.000 0.436 211 A N 1.035 123.877 122.820 0.036 0.000 2.480 211 A HA 0.465 4.773 4.320 -0.020 0.000 0.289 211 A C -1.810 175.980 177.584 0.343 0.000 1.044 211 A CA -0.809 51.320 52.037 0.154 0.000 0.761 211 A CB 1.030 20.109 19.000 0.131 0.000 1.289 211 A HN 0.337 nan 8.150 nan 0.000 0.401 212 L N 2.150 123.583 121.223 0.350 0.000 2.309 212 L HA 0.740 5.068 4.340 -0.020 0.000 0.282 212 L C -0.546 176.345 176.870 0.035 0.000 1.036 212 L CA -0.479 54.516 54.840 0.258 0.000 0.806 212 L CB 0.665 42.783 42.059 0.098 0.000 1.220 212 L HN 0.709 nan 8.230 nan 0.000 0.429 213 F N 2.143 121.860 119.950 -0.389 0.000 2.574 213 F HA 0.775 5.290 4.527 -0.020 0.000 0.313 213 F C -0.697 174.930 175.800 -0.287 0.000 1.130 213 F CA -0.597 57.030 58.000 -0.621 0.000 0.936 213 F CB 1.669 39.787 39.000 -1.470 0.000 1.219 213 F HN 0.574 nan 8.300 nan 0.000 0.445 214 A N 5.818 128.011 122.820 -1.044 0.000 2.356 214 A HA 0.826 5.134 4.320 -0.020 0.000 0.323 214 A C -1.423 175.569 177.584 -0.988 0.000 1.119 214 A CA -0.783 50.812 52.037 -0.737 0.000 0.790 214 A CB 1.752 20.523 19.000 -0.381 0.000 1.273 214 A HN 0.750 nan 8.150 nan 0.000 0.452 215 K N 0.922 121.032 120.400 -0.484 0.000 2.550 215 K HA 0.587 4.895 4.320 -0.020 0.000 0.252 215 K C -0.784 175.736 176.600 -0.134 0.000 0.943 215 K CA -0.463 55.652 56.287 -0.286 0.000 0.806 215 K CB 1.977 34.405 32.500 -0.120 0.000 1.289 215 K HN 1.051 nan 8.250 nan 0.000 0.435 216 A N 4.381 127.144 122.820 -0.096 0.000 2.425 216 A HA 0.528 4.836 4.320 -0.020 0.000 0.249 216 A C -0.652 176.916 177.584 -0.027 0.000 1.084 216 A CA -0.197 51.809 52.037 -0.052 0.000 0.781 216 A CB 0.164 19.140 19.000 -0.040 0.000 1.019 216 A HN 0.641 nan 8.150 nan 0.000 0.490 217 L N 2.026 123.239 121.223 -0.017 0.000 2.309 217 L HA 0.485 4.814 4.340 -0.020 0.000 0.261 217 L C -2.168 174.700 176.870 -0.003 0.000 1.021 217 L CA -2.209 52.627 54.840 -0.006 0.000 0.823 217 L CB 1.972 44.029 42.059 -0.003 0.000 1.366 217 L HN 0.440 nan 8.230 nan 0.000 0.423 218 P HA 0.006 nan 4.420 nan 0.000 0.270 218 P C -0.700 176.601 177.300 0.002 0.000 1.216 218 P CA 0.243 63.344 63.100 0.001 0.000 0.788 218 P CB 0.205 31.907 31.700 0.003 0.000 0.883 219 D N -0.431 119.971 120.400 0.004 0.000 2.911 219 D HA -0.210 4.418 4.640 -0.020 0.000 0.227 219 D C 0.210 176.515 176.300 0.007 0.000 1.164 219 D CA 1.766 55.770 54.000 0.006 0.000 0.782 219 D CB -1.776 39.028 40.800 0.007 0.000 1.094 219 D HN 0.671 nan 8.370 nan 0.000 0.425 220 D N -1.556 118.847 120.400 0.005 0.000 2.981 220 D HA -0.194 4.435 4.640 -0.020 0.000 0.223 220 D C -0.271 176.032 176.300 0.005 0.000 1.151 220 D CA 1.043 55.046 54.000 0.006 0.000 0.827 220 D CB -0.228 40.578 40.800 0.010 0.000 1.101 220 D HN 0.388 nan 8.370 nan 0.000 0.426 221 K N -0.185 120.216 120.400 0.001 0.000 2.090 221 K HA 0.664 4.972 4.320 -0.020 0.000 0.249 221 K C 0.469 177.062 176.600 -0.011 0.000 0.995 221 K CA -0.566 55.720 56.287 -0.001 0.000 0.914 221 K CB 1.161 33.661 32.500 -0.001 0.000 1.057 221 K HN 0.138 nan 8.250 nan 0.000 0.462 222 L N 1.033 122.247 121.223 -0.015 0.000 2.401 222 L HA 0.320 4.649 4.340 -0.020 0.000 0.266 222 L C -0.400 176.452 176.870 -0.030 0.000 0.991 222 L CA -0.722 54.100 54.840 -0.030 0.000 0.818 222 L CB 2.295 44.334 42.059 -0.033 0.000 1.321 222 L HN 0.527 nan 8.230 nan 0.000 0.413 223 Q N 3.388 123.163 119.800 -0.041 0.000 2.307 223 Q HA 0.544 4.872 4.340 -0.020 0.000 0.262 223 Q C -1.736 174.238 176.000 -0.043 0.000 0.961 223 Q CA -0.537 55.254 55.803 -0.020 0.000 0.882 223 Q CB 2.074 30.819 28.738 0.011 0.000 1.264 223 Q HN 0.559 nan 8.270 nan 0.000 0.446 224 L N 6.440 127.659 121.223 -0.006 0.000 2.341 224 L HA 0.563 4.891 4.340 -0.020 0.000 0.278 224 L C -1.206 175.714 176.870 0.083 0.000 1.005 224 L CA -0.850 53.992 54.840 0.003 0.000 0.818 224 L CB 1.400 43.459 42.059 0.001 0.000 1.259 224 L HN 0.765 nan 8.230 nan 0.000 0.418 225 I N 5.247 125.908 120.570 0.151 0.000 2.389 225 I HA 0.331 4.489 4.170 -0.020 0.000 0.288 225 I C -0.366 175.926 176.117 0.292 0.000 0.999 225 I CA -0.863 60.588 61.300 0.251 0.000 1.129 225 I CB 1.908 40.163 38.000 0.425 0.000 1.288 225 I HN 0.180 nan 8.210 nan 0.000 0.444 226 V N 5.527 125.567 119.914 0.209 0.000 2.350 226 V HA 0.563 4.672 4.120 -0.020 0.000 0.276 226 V C 0.483 176.672 176.094 0.158 0.000 1.028 226 V CA -0.410 61.992 62.300 0.170 0.000 0.860 226 V CB 1.255 33.118 31.823 0.066 0.000 0.990 226 V HN 0.852 nan 8.190 nan 0.000 0.453 227 A N 7.213 130.110 122.820 0.128 0.000 2.271 227 A HA 0.823 5.131 4.320 -0.020 0.000 0.317 227 A C -0.644 176.906 177.584 -0.057 0.000 1.245 227 A CA -0.467 51.545 52.037 -0.042 0.000 0.857 227 A CB 0.437 19.228 19.000 -0.349 0.000 1.175 227 A HN 0.602 nan 8.150 nan 0.000 0.512 228 I N 2.094 122.658 120.570 -0.011 0.000 2.441 228 I HA 0.474 4.632 4.170 -0.020 0.000 0.295 228 I C 1.024 177.205 176.117 0.108 0.000 0.994 228 I CA -0.484 60.813 61.300 -0.004 0.000 1.144 228 I CB 1.226 39.167 38.000 -0.098 0.000 1.314 228 I HN 0.776 nan 8.210 nan 0.000 0.445 229 A N 3.933 126.795 122.820 0.071 0.000 2.536 229 A HA -0.013 4.295 4.320 -0.020 0.000 0.234 229 A C 0.428 178.124 177.584 0.188 0.000 1.076 229 A CA 0.306 52.399 52.037 0.094 0.000 0.769 229 A CB -0.091 18.932 19.000 0.038 0.000 1.020 229 A HN 0.739 nan 8.150 nan 0.000 0.508 230 D N 0.386 120.914 120.400 0.213 0.000 2.892 230 D HA 0.232 4.860 4.640 -0.020 0.000 0.291 230 D C -1.353 175.147 176.300 0.334 0.000 1.341 230 D CA -1.276 52.890 54.000 0.278 0.000 0.844 230 D CB 0.187 41.112 40.800 0.209 0.000 1.093 230 D HN 0.263 nan 8.370 nan 0.000 0.480 231 P HA -0.199 nan 4.420 nan 0.000 0.217 231 P C 1.400 178.861 177.300 0.269 0.000 1.148 231 P CA 1.399 64.638 63.100 0.233 0.000 0.828 231 P CB -0.152 31.586 31.700 0.064 0.000 0.783 232 T N -3.064 111.594 114.554 0.174 0.000 3.035 232 T HA 0.145 4.484 4.350 -0.020 0.000 0.268 232 T C 1.910 176.664 174.700 0.090 0.000 1.109 232 T CA 0.781 62.956 62.100 0.124 0.000 1.119 232 T CB -0.927 68.000 68.868 0.098 0.000 0.900 232 T HN 0.048 nan 8.240 nan 0.000 0.503 233 A N -0.186 122.677 122.820 0.071 0.000 2.216 233 A HA 0.133 4.441 4.320 -0.020 0.000 0.214 233 A C 2.034 179.429 177.584 -0.315 0.000 1.160 233 A CA 0.534 52.472 52.037 -0.164 0.000 0.725 233 A CB -0.813 17.986 19.000 -0.335 0.000 0.784 233 A HN 0.764 nan 8.150 nan 0.000 0.472 234 W N -1.201 120.106 121.300 0.013 0.000 3.298 234 W HA 0.349 4.997 4.660 -0.020 0.000 0.239 234 W C 0.118 176.643 176.519 0.010 0.000 1.082 234 W CA -0.204 57.146 57.345 0.008 0.000 1.711 234 W CB 0.083 29.545 29.460 0.004 0.000 0.944 234 W HN -0.050 nan 8.180 nan 0.000 0.712 235 I N 2.188 122.913 120.570 0.259 0.000 2.363 235 I HA 0.223 4.381 4.170 -0.020 0.000 0.292 235 I C 0.465 176.644 176.117 0.104 0.000 1.075 235 I CA -0.296 61.097 61.300 0.154 0.000 1.333 235 I CB 0.511 38.591 38.000 0.134 0.000 1.415 235 I HN -0.269 nan 8.210 nan 0.000 0.502 236 A N 5.955 128.823 122.820 0.079 0.000 2.316 236 A HA 0.219 4.527 4.320 -0.020 0.000 0.284 236 A C 0.263 177.883 177.584 0.060 0.000 1.115 236 A CA -0.510 51.559 52.037 0.054 0.000 0.812 236 A CB 0.415 19.437 19.000 0.037 0.000 1.064 236 A HN 0.777 nan 8.150 nan 0.000 0.489 237 E N 0.731 120.963 120.200 0.052 0.000 2.406 237 E HA 0.329 4.668 4.350 -0.020 0.000 0.258 237 E C 1.140 177.771 176.600 0.051 0.000 1.043 237 E CA 1.077 57.514 56.400 0.061 0.000 0.929 237 E CB -0.128 29.600 29.700 0.046 0.000 0.969 237 E HN 1.281 nan 8.360 nan 0.000 0.462 238 G N 3.171 112.006 108.800 0.058 0.000 2.218 238 G HA2 -0.286 3.662 3.960 -0.020 0.000 0.216 238 G HA3 -0.286 3.662 3.960 -0.020 0.000 0.216 238 G C 0.269 175.187 174.900 0.031 0.000 0.994 238 G CA 0.090 45.213 45.100 0.039 0.000 0.637 238 G HN 0.776 nan 8.290 nan 0.000 0.505 239 S N 0.245 115.968 115.700 0.038 0.000 2.596 239 S HA 0.523 4.981 4.470 -0.020 0.000 0.260 239 S C 1.325 175.937 174.600 0.021 0.000 1.336 239 S CA 0.743 58.962 58.200 0.032 0.000 0.993 239 S CB 1.308 64.534 63.200 0.044 0.000 0.923 239 S HN 0.221 nan 8.310 nan 0.000 0.567 240 K N -0.049 120.359 120.400 0.014 0.000 2.063 240 K HA 0.011 4.320 4.320 -0.020 0.000 0.208 240 K C 1.828 178.426 176.600 -0.004 0.000 1.048 240 K CA 1.170 57.458 56.287 0.002 0.000 0.928 240 K CB -0.727 31.773 32.500 0.001 0.000 0.713 240 K HN 0.442 nan 8.250 nan 0.000 0.442 241 L N 0.910 122.139 121.223 0.010 0.000 2.027 241 L HA -0.160 4.169 4.340 -0.020 0.000 0.206 241 L C 1.817 178.695 176.870 0.012 0.000 1.074 241 L CA 1.742 56.587 54.840 0.008 0.000 0.745 241 L CB -0.840 41.235 42.059 0.026 0.000 0.898 241 L HN 0.230 nan 8.230 nan 0.000 0.433 242 D N 0.021 120.449 120.400 0.046 0.000 2.355 242 D HA -0.308 4.320 4.640 -0.020 0.000 0.192 242 D C 2.103 178.378 176.300 -0.042 0.000 1.014 242 D CA 2.411 56.453 54.000 0.070 0.000 0.862 242 D CB -0.029 40.840 40.800 0.116 0.000 0.986 242 D HN 0.410 nan 8.370 nan 0.000 0.456 243 K N -0.151 120.220 120.400 -0.049 0.000 2.211 243 K HA 0.031 4.339 4.320 -0.020 0.000 0.203 243 K C 2.118 178.635 176.600 -0.137 0.000 1.050 243 K CA 1.163 57.389 56.287 -0.101 0.000 0.945 243 K CB -0.094 32.373 32.500 -0.055 0.000 0.732 243 K HN 0.193 nan 8.250 nan 0.000 0.451 244 A N 2.103 124.863 122.820 -0.101 0.000 1.872 244 A HA 0.064 4.372 4.320 -0.020 0.000 0.214 244 A C 2.526 180.021 177.584 -0.148 0.000 1.187 244 A CA 1.476 53.453 52.037 -0.099 0.000 0.614 244 A CB -0.701 18.263 19.000 -0.060 0.000 0.826 244 A HN 0.423 nan 8.150 nan 0.000 0.442 245 A N -0.295 122.429 122.820 -0.161 0.000 1.933 245 A HA -0.149 4.159 4.320 -0.020 0.000 0.218 245 A C 2.141 179.437 177.584 -0.480 0.000 1.175 245 A CA 1.909 53.834 52.037 -0.186 0.000 0.628 245 A CB -0.410 18.586 19.000 -0.007 0.000 0.814 245 A HN 0.530 nan 8.150 nan 0.000 0.444 246 K N -0.155 119.731 120.400 -0.857 0.000 2.057 246 K HA -0.058 4.251 4.320 -0.020 0.000 0.206 246 K C 1.853 178.146 176.600 -0.512 0.000 1.050 246 K CA 1.353 56.901 56.287 -1.232 0.000 0.935 246 K CB -0.293 31.604 32.500 -1.005 0.000 0.715 246 K HN 0.506 nan 8.250 nan 0.000 0.439 247 I N 0.873 121.256 120.570 -0.311 0.000 2.163 247 I HA -0.315 3.843 4.170 -0.020 0.000 0.243 247 I C 2.421 178.464 176.117 -0.122 0.000 1.085 247 I CA 1.481 62.683 61.300 -0.164 0.000 1.347 247 I CB -0.247 37.687 38.000 -0.110 0.000 1.044 247 I HN 0.203 nan 8.210 nan 0.000 0.408 248 R N 0.366 120.787 120.500 -0.132 0.000 2.115 248 R HA -0.025 4.303 4.340 -0.020 0.000 0.226 248 R C 1.872 178.143 176.300 -0.048 0.000 1.100 248 R CA 1.012 57.072 56.100 -0.067 0.000 0.980 248 R CB -0.265 29.997 30.300 -0.065 0.000 0.875 248 R HN 0.468 nan 8.270 nan 0.000 0.445 249 A N -0.436 122.287 122.820 -0.160 0.000 2.621 249 A HA -0.281 4.027 4.320 -0.020 0.000 0.235 249 A C 0.257 177.469 177.584 -0.621 0.000 0.477 249 A CA 1.872 53.718 52.037 -0.319 0.000 1.115 249 A CB -1.513 17.303 19.000 -0.307 0.000 1.400 249 A HN 0.323 nan 8.150 nan 0.000 0.691 250 F N -1.530 118.443 119.950 0.038 0.000 2.628 250 F HA 0.502 5.018 4.527 -0.020 0.000 0.309 250 F C 0.467 176.250 175.800 -0.027 0.000 1.108 250 F CA -0.067 57.957 58.000 0.040 0.000 0.971 250 F CB 1.579 40.615 39.000 0.060 0.000 1.279 250 F HN 0.005 nan 8.300 nan 0.000 0.441 251 T N 2.087 116.712 114.554 0.119 0.000 2.908 251 T HA -0.059 4.279 4.350 -0.020 0.000 0.301 251 T C 0.047 174.644 174.700 -0.171 0.000 1.019 251 T CA 0.031 62.049 62.100 -0.138 0.000 1.152 251 T CB -0.028 68.646 68.868 -0.323 0.000 0.966 251 T HN 0.554 nan 8.240 nan 0.000 0.540 252 N N 3.070 121.627 118.700 -0.239 0.000 2.439 252 N HA 0.100 4.828 4.740 -0.020 0.000 0.249 252 N C -1.251 174.082 175.510 -0.296 0.000 1.003 252 N CA -0.391 52.571 53.050 -0.146 0.000 0.942 252 N CB 0.407 38.869 38.487 -0.042 0.000 1.115 252 N HN 0.515 nan 8.380 nan 0.000 0.505 253 Y N 3.370 123.662 120.300 -0.013 0.000 2.383 253 Y HA 0.322 4.860 4.550 -0.020 0.000 0.344 253 Y C -0.037 175.876 175.900 0.022 0.000 0.986 253 Y CA -0.590 57.506 58.100 -0.007 0.000 1.175 253 Y CB 1.001 39.465 38.460 0.006 0.000 1.152 253 Y HN 0.401 nan 8.280 nan 0.000 0.511 254 L N 6.208 127.541 121.223 0.184 0.000 2.323 254 L HA 0.596 4.924 4.340 -0.020 0.000 0.265 254 L C -2.397 174.607 176.870 0.223 0.000 1.012 254 L CA -3.200 51.750 54.840 0.183 0.000 0.820 254 L CB 1.548 43.768 42.059 0.269 0.000 1.334 254 L HN 0.370 nan 8.230 nan 0.000 0.427 255 P HA 0.181 nan 4.420 nan 0.000 0.258 255 P C 0.624 178.134 177.300 0.349 0.000 1.187 255 P CA 0.977 64.158 63.100 0.135 0.000 0.767 255 P CB 0.267 31.797 31.700 -0.283 0.000 0.770 256 G N 2.276 111.233 108.800 0.262 0.000 2.162 256 G HA2 -0.274 3.674 3.960 -0.020 0.000 0.260 256 G HA3 -0.274 3.674 3.960 -0.020 0.000 0.260 256 G C -0.094 174.923 174.900 0.196 0.000 0.976 256 G CA -0.096 45.120 45.100 0.194 0.000 0.655 256 G HN 0.583 nan 8.290 nan 0.000 0.533 257 F N 1.010 120.977 119.950 0.027 0.000 2.767 257 F HA 0.454 4.969 4.527 -0.020 0.000 0.341 257 F C -0.668 175.130 175.800 -0.004 0.000 1.192 257 F CA -0.662 57.301 58.000 -0.061 0.000 1.127 257 F CB 0.820 39.692 39.000 -0.213 0.000 1.388 257 F HN 0.306 nan 8.300 nan 0.000 0.574 258 N N 4.659 123.027 118.700 -0.553 0.000 2.370 258 N HA 0.705 5.433 4.740 -0.020 0.000 0.303 258 N C -1.743 173.253 175.510 -0.856 0.000 1.103 258 N CA -0.691 51.983 53.050 -0.627 0.000 0.848 258 N CB 2.053 40.217 38.487 -0.538 0.000 1.235 258 N HN 0.309 nan 8.380 nan 0.000 0.496 259 I N 0.934 121.129 120.570 -0.625 0.000 2.371 259 I HA 0.384 4.542 4.170 -0.020 0.000 0.282 259 I C -2.302 173.622 176.117 -0.322 0.000 1.031 259 I CA -2.159 58.885 61.300 -0.427 0.000 1.180 259 I CB 1.151 39.002 38.000 -0.249 0.000 1.336 259 I HN 0.519 nan 8.210 nan 0.000 0.467 260 P HA 0.166 nan 4.420 nan 0.000 0.272 260 P C 0.805 178.025 177.300 -0.133 0.000 1.223 260 P CA -0.448 62.529 63.100 -0.206 0.000 0.784 260 P CB 0.857 32.461 31.700 -0.160 0.000 0.923 261 M N 1.658 121.199 119.600 -0.098 0.000 2.254 261 M HA 0.012 4.480 4.480 -0.020 0.000 0.265 261 M C -0.054 176.214 176.300 -0.053 0.000 1.066 261 M CA 1.686 56.949 55.300 -0.061 0.000 1.123 261 M CB 0.019 32.601 32.600 -0.030 0.000 1.388 261 M HN 0.240 nan 8.290 nan 0.000 0.425 262 L N -0.152 121.037 121.223 -0.056 0.000 2.323 262 L HA 0.516 4.844 4.340 -0.020 0.000 0.265 262 L C -2.353 174.477 176.870 -0.066 0.000 1.012 262 L CA -2.485 52.325 54.840 -0.050 0.000 0.820 262 L CB 1.345 43.378 42.059 -0.043 0.000 1.334 262 L HN -0.141 nan 8.230 nan 0.000 0.427 263 P HA 0.115 nan 4.420 nan 0.000 0.265 263 P C 0.043 177.290 177.300 -0.087 0.000 1.193 263 P CA -0.054 63.002 63.100 -0.073 0.000 0.765 263 P CB 0.528 32.186 31.700 -0.069 0.000 0.823 264 R N 2.640 123.090 120.500 -0.083 0.000 2.134 264 R HA -0.292 4.036 4.340 -0.020 0.000 0.248 264 R C 2.054 178.295 176.300 -0.098 0.000 1.143 264 R CA 2.420 58.469 56.100 -0.085 0.000 0.957 264 R CB -0.767 29.490 30.300 -0.072 0.000 0.867 264 R HN 0.638 nan 8.270 nan 0.000 0.441 265 E N 0.890 121.028 120.200 -0.103 0.000 2.097 265 E HA -0.243 4.095 4.350 -0.020 0.000 0.196 265 E C 1.772 178.259 176.600 -0.188 0.000 1.000 265 E CA 1.392 57.716 56.400 -0.127 0.000 0.804 265 E CB -0.484 29.146 29.700 -0.117 0.000 0.740 265 E HN 0.226 nan 8.360 nan 0.000 0.454 266 L N 1.438 122.536 121.223 -0.208 0.000 1.961 266 L HA -0.143 4.185 4.340 -0.020 0.000 0.209 266 L C 2.560 179.292 176.870 -0.229 0.000 1.075 266 L CA 2.309 56.973 54.840 -0.294 0.000 0.749 266 L CB -1.183 40.729 42.059 -0.245 0.000 0.890 266 L HN 0.393 nan 8.230 nan 0.000 0.433 267 S N -0.463 115.147 115.700 -0.149 0.000 2.389 267 S HA -0.292 4.166 4.470 -0.020 0.000 0.229 267 S C 1.718 176.262 174.600 -0.094 0.000 1.048 267 S CA 1.798 59.935 58.200 -0.105 0.000 1.117 267 S CB -1.266 61.891 63.200 -0.073 0.000 1.020 267 S HN 0.582 nan 8.310 nan 0.000 0.430 268 D N 1.166 121.512 120.400 -0.091 0.000 2.263 268 D HA 0.039 4.667 4.640 -0.020 0.000 0.208 268 D C 1.466 177.717 176.300 -0.080 0.000 0.971 268 D CA 1.409 55.364 54.000 -0.076 0.000 0.867 268 D CB -0.239 40.525 40.800 -0.061 0.000 0.929 268 D HN 0.637 nan 8.370 nan 0.000 0.492 269 D N -0.862 119.471 120.400 -0.112 0.000 3.000 269 D HA 0.084 4.712 4.640 -0.020 0.000 0.190 269 D C 2.036 178.246 176.300 -0.150 0.000 1.503 269 D CA -0.345 53.588 54.000 -0.112 0.000 1.496 269 D CB -0.151 40.581 40.800 -0.113 0.000 1.163 269 D HN -0.036 nan 8.370 nan 0.000 0.231 270 L N 0.901 121.970 121.223 -0.256 0.000 2.042 270 L HA -0.155 4.173 4.340 -0.020 0.000 0.210 270 L C 2.754 179.411 176.870 -0.356 0.000 1.076 270 L CA 1.247 55.856 54.840 -0.386 0.000 0.749 270 L CB -0.212 41.370 42.059 -0.795 0.000 0.893 270 L HN 0.297 nan 8.230 nan 0.000 0.432 271 C N -1.595 117.504 119.300 -0.333 0.000 2.507 271 C HA 0.017 4.465 4.460 -0.020 0.000 0.280 271 C C 1.879 176.843 174.990 -0.044 0.000 1.345 271 C CA -0.423 58.516 59.018 -0.132 0.000 1.736 271 C CB -0.213 27.458 27.740 -0.115 0.000 2.060 271 C HN 0.472 nan 8.230 nan 0.000 0.498 272 S N 1.103 116.761 115.700 -0.071 0.000 2.573 272 S HA 0.068 4.527 4.470 -0.020 0.000 0.297 272 S C -0.114 174.470 174.600 -0.026 0.000 1.280 272 S CA 0.097 58.270 58.200 -0.045 0.000 1.061 272 S CB 0.004 63.172 63.200 -0.053 0.000 0.812 272 S HN 0.452 nan 8.310 nan 0.000 0.500 273 L N 6.453 127.663 121.223 -0.022 0.000 2.480 273 L HA 0.272 4.600 4.340 -0.020 0.000 0.243 273 L C 1.019 177.880 176.870 -0.014 0.000 1.315 273 L CA -0.276 54.552 54.840 -0.019 0.000 1.231 273 L CB -0.492 41.551 42.059 -0.026 0.000 1.444 273 L HN 0.539 nan 8.230 nan 0.000 0.409 274 R N 1.360 121.852 120.500 -0.013 0.000 2.543 274 R HA 0.419 4.747 4.340 -0.020 0.000 0.277 274 R C 0.478 176.778 176.300 0.001 0.000 1.074 274 R CA -0.371 55.722 56.100 -0.011 0.000 1.076 274 R CB 0.878 31.170 30.300 -0.013 0.000 0.993 274 R HN 0.473 nan 8.270 nan 0.000 0.459 275 A N 2.960 125.783 122.820 0.005 0.000 2.531 275 A HA -0.006 4.302 4.320 -0.020 0.000 0.236 275 A C 0.524 178.118 177.584 0.018 0.000 1.062 275 A CA -0.171 51.877 52.037 0.017 0.000 0.760 275 A CB 0.036 19.048 19.000 0.019 0.000 0.995 275 A HN 0.979 nan 8.150 nan 0.000 0.501 276 N N -0.075 118.640 118.700 0.026 0.000 2.708 276 N HA -0.132 4.596 4.740 -0.020 0.000 0.251 276 N C -0.493 175.027 175.510 0.017 0.000 1.123 276 N CA 1.607 54.671 53.050 0.023 0.000 0.739 276 N CB -0.864 37.635 38.487 0.020 0.000 1.113 276 N HN 0.851 nan 8.380 nan 0.000 0.561 277 E N 0.121 120.330 120.200 0.015 0.000 2.227 277 E HA 0.465 4.803 4.350 -0.020 0.000 0.268 277 E C -0.012 176.596 176.600 0.013 0.000 0.907 277 E CA -0.818 55.590 56.400 0.014 0.000 0.786 277 E CB 2.382 32.089 29.700 0.011 0.000 1.191 277 E HN -0.133 nan 8.360 nan 0.000 0.411 278 V N 3.241 123.165 119.914 0.018 0.000 2.461 278 V HA 0.268 4.376 4.120 -0.020 0.000 0.275 278 V C 0.182 176.294 176.094 0.029 0.000 1.047 278 V CA -0.194 62.115 62.300 0.016 0.000 0.955 278 V CB 0.523 32.357 31.823 0.018 0.000 0.988 278 V HN 0.406 nan 8.190 nan 0.000 0.471 279 R N 5.440 125.949 120.500 0.015 0.000 2.673 279 R HA 0.489 4.817 4.340 -0.020 0.000 0.281 279 R C -2.890 173.425 176.300 0.026 0.000 0.991 279 R CA -2.204 53.923 56.100 0.045 0.000 0.896 279 R CB 2.534 32.851 30.300 0.028 0.000 1.201 279 R HN 0.373 nan 8.270 nan 0.000 0.457 280 P HA 0.154 nan 4.420 nan 0.000 0.271 280 P C -0.379 176.937 177.300 0.026 0.000 1.218 280 P CA -0.201 62.911 63.100 0.020 0.000 0.780 280 P CB 1.045 32.740 31.700 -0.008 0.000 0.901 281 V N 0.746 120.652 119.914 -0.014 0.000 3.114 281 V HA 0.500 4.608 4.120 -0.020 0.000 0.308 281 V C -1.212 174.871 176.094 -0.018 0.000 1.168 281 V CA -1.173 61.119 62.300 -0.013 0.000 1.015 281 V CB 2.261 34.019 31.823 -0.110 0.000 1.050 281 V HN 0.398 nan 8.190 nan 0.000 0.433 282 L N 3.077 124.327 121.223 0.045 0.000 2.264 282 L HA 0.858 5.186 4.340 -0.020 0.000 0.289 282 L C 0.299 177.190 176.870 0.035 0.000 1.044 282 L CA -0.188 54.653 54.840 0.002 0.000 0.807 282 L CB 1.109 43.148 42.059 -0.033 0.000 1.192 282 L HN 1.160 nan 8.230 nan 0.000 0.425 283 A N 4.230 126.876 122.820 -0.290 0.000 2.354 283 A HA 0.637 4.945 4.320 -0.020 0.000 0.321 283 A C -1.242 175.967 177.584 -0.624 0.000 1.125 283 A CA -0.482 51.290 52.037 -0.441 0.000 0.799 283 A CB 1.729 20.209 19.000 -0.866 0.000 1.293 283 A HN 0.766 nan 8.150 nan 0.000 0.452 284 C N 1.904 120.969 119.300 -0.392 0.000 2.432 284 C HA 0.703 5.151 4.460 -0.020 0.000 0.334 284 C C -0.323 174.563 174.990 -0.174 0.000 1.155 284 C CA -0.580 58.081 59.018 -0.596 0.000 1.335 284 C CB 0.160 27.491 27.740 -0.682 0.000 1.964 284 C HN 0.925 nan 8.230 nan 0.000 0.444 285 R N 6.773 127.262 120.500 -0.018 0.000 2.255 285 R HA 0.687 5.015 4.340 -0.020 0.000 0.326 285 R C -0.372 175.940 176.300 0.020 0.000 0.986 285 R CA -0.320 55.851 56.100 0.118 0.000 0.847 285 R CB 1.022 31.488 30.300 0.277 0.000 1.111 285 R HN 0.948 nan 8.270 nan 0.000 0.452 286 M N 1.626 121.235 119.600 0.015 0.000 2.602 286 M HA 0.512 4.980 4.480 -0.020 0.000 0.312 286 M C -1.388 174.913 176.300 0.001 0.000 1.181 286 M CA -0.555 54.739 55.300 -0.009 0.000 0.910 286 M CB 2.618 35.203 32.600 -0.025 0.000 1.723 286 M HN 0.269 nan 8.290 nan 0.000 0.459 287 T N 3.721 118.269 114.554 -0.010 0.000 2.792 287 T HA 0.627 4.965 4.350 -0.020 0.000 0.280 287 T C -0.506 174.178 174.700 -0.026 0.000 0.990 287 T CA -0.619 61.474 62.100 -0.011 0.000 0.960 287 T CB 1.148 70.014 68.868 -0.004 0.000 0.939 287 T HN 0.588 nan 8.240 nan 0.000 0.439 288 L N 2.406 123.613 121.223 -0.027 0.000 2.307 288 L HA 0.485 4.813 4.340 -0.020 0.000 0.284 288 L C 0.741 177.602 176.870 -0.014 0.000 1.023 288 L CA -0.876 53.943 54.840 -0.035 0.000 0.810 288 L CB 1.562 43.599 42.059 -0.036 0.000 1.231 288 L HN 0.597 nan 8.230 nan 0.000 0.423 289 S N 1.166 116.862 115.700 -0.007 0.000 2.587 289 S HA 0.108 4.566 4.470 -0.020 0.000 0.260 289 S C 1.309 175.931 174.600 0.037 0.000 1.353 289 S CA 0.059 58.272 58.200 0.021 0.000 0.995 289 S CB 1.356 64.580 63.200 0.040 0.000 0.912 289 S HN 0.784 nan 8.310 nan 0.000 0.568 290 A N 0.993 123.838 122.820 0.042 0.000 1.978 290 A HA -0.171 4.137 4.320 -0.020 0.000 0.220 290 A C 1.756 179.389 177.584 0.082 0.000 1.170 290 A CA 1.871 53.938 52.037 0.050 0.000 0.636 290 A CB -0.724 18.301 19.000 0.042 0.000 0.810 290 A HN 0.814 nan 8.150 nan 0.000 0.448 291 D N -1.297 119.168 120.400 0.109 0.000 2.265 291 D HA 0.003 4.631 4.640 -0.020 0.000 0.208 291 D C 1.546 178.010 176.300 0.273 0.000 0.977 291 D CA 1.776 55.890 54.000 0.189 0.000 0.871 291 D CB -0.275 40.651 40.800 0.211 0.000 0.925 291 D HN 0.661 nan 8.370 nan 0.000 0.485 292 G N -1.263 107.636 108.800 0.166 0.000 2.175 292 G HA2 -0.265 3.683 3.960 -0.020 0.000 0.244 292 G HA3 -0.265 3.683 3.960 -0.020 0.000 0.244 292 G C 0.572 175.408 174.900 -0.106 0.000 0.982 292 G CA 0.514 45.681 45.100 0.113 0.000 0.641 292 G HN 0.398 nan 8.290 nan 0.000 0.527 293 T N 1.489 116.004 114.554 -0.066 0.000 2.888 293 T HA 0.427 4.765 4.350 -0.020 0.000 0.301 293 T C 0.991 175.544 174.700 -0.246 0.000 1.001 293 T CA 0.234 62.168 62.100 -0.277 0.000 1.147 293 T CB 0.838 69.718 68.868 0.020 0.000 0.931 293 T HN 0.322 nan 8.240 nan 0.000 0.541 294 I N 3.512 123.874 120.570 -0.346 0.000 2.363 294 I HA 0.172 4.330 4.170 -0.020 0.000 0.292 294 I C 0.892 176.941 176.117 -0.113 0.000 1.075 294 I CA -0.325 60.856 61.300 -0.197 0.000 1.333 294 I CB 0.595 38.477 38.000 -0.198 0.000 1.415 294 I HN 0.587 nan 8.210 nan 0.000 0.502 295 E N 3.907 124.069 120.200 -0.065 0.000 2.369 295 E HA 0.033 4.371 4.350 -0.020 0.000 0.255 295 E C 0.423 177.012 176.600 -0.019 0.000 1.172 295 E CA -0.139 56.242 56.400 -0.032 0.000 0.932 295 E CB 0.701 30.391 29.700 -0.018 0.000 1.040 295 E HN 0.440 nan 8.360 nan 0.000 0.454 296 D N 0.527 120.924 120.400 -0.005 0.000 2.312 296 D HA -0.104 4.524 4.640 -0.020 0.000 0.211 296 D C 0.617 176.922 176.300 0.008 0.000 0.964 296 D CA 0.471 54.473 54.000 0.004 0.000 0.877 296 D CB -0.282 40.523 40.800 0.008 0.000 0.924 296 D HN 0.463 nan 8.370 nan 0.000 0.515 297 N N 0.257 118.959 118.700 0.004 0.000 2.826 297 N HA -0.143 4.585 4.740 -0.020 0.000 0.207 297 N C -0.273 175.244 175.510 0.011 0.000 1.285 297 N CA -0.185 52.868 53.050 0.006 0.000 0.984 297 N CB -0.226 38.262 38.487 0.001 0.000 1.052 297 N HN 0.230 nan 8.380 nan 0.000 0.451 298 I N 1.398 121.979 120.570 0.019 0.000 2.517 298 I HA -0.018 4.140 4.170 -0.020 0.000 0.285 298 I C -0.141 176.003 176.117 0.045 0.000 1.106 298 I CA 0.582 61.894 61.300 0.019 0.000 1.402 298 I CB 0.616 38.645 38.000 0.048 0.000 1.399 298 I HN 0.049 nan 8.210 nan 0.000 0.535 299 E N 6.621 126.834 120.200 0.022 0.000 2.141 299 E HA 0.369 4.707 4.350 -0.020 0.000 0.259 299 E C -1.142 175.512 176.600 0.090 0.000 0.883 299 E CA -0.504 55.963 56.400 0.111 0.000 0.744 299 E CB 1.267 31.046 29.700 0.131 0.000 1.150 299 E HN 0.304 nan 8.360 nan 0.000 0.420 300 F N 3.742 123.732 119.950 0.066 0.000 2.396 300 F HA 0.470 4.986 4.527 -0.020 0.000 0.343 300 F C 0.011 175.888 175.800 0.129 0.000 1.104 300 F CA -0.333 57.624 58.000 -0.072 0.000 1.161 300 F CB 0.529 39.369 39.000 -0.267 0.000 1.146 300 F HN 0.337 nan 8.300 nan 0.000 0.522 301 F N 0.569 120.543 119.950 0.040 0.000 2.725 301 F HA 0.745 5.260 4.527 -0.020 0.000 0.309 301 F C -1.085 174.717 175.800 0.003 0.000 1.132 301 F CA -2.008 55.998 58.000 0.010 0.000 0.957 301 F CB 0.167 39.163 39.000 -0.006 0.000 1.286 301 F HN 0.557 nan 8.300 nan 0.000 0.440 302 A N 1.406 124.288 122.820 0.103 0.000 2.371 302 A HA 0.900 5.208 4.320 -0.020 0.000 0.257 302 A C -0.118 177.541 177.584 0.126 0.000 1.089 302 A CA 0.382 52.437 52.037 0.030 0.000 0.794 302 A CB 0.134 19.150 19.000 0.026 0.000 1.029 302 A HN 2.153 nan 8.150 nan 0.000 0.488 303 A N 0.515 123.355 122.820 0.034 0.000 2.557 303 A HA 0.879 5.187 4.320 -0.020 0.000 0.292 303 A C -0.309 177.272 177.584 -0.005 0.000 1.139 303 A CA 0.098 52.177 52.037 0.071 0.000 0.665 303 A CB 0.779 19.847 19.000 0.114 0.000 1.285 303 A HN 1.964 nan 8.150 nan 0.000 0.433 304 T N -0.723 113.825 114.554 -0.010 0.000 2.886 304 T HA 0.701 5.039 4.350 -0.020 0.000 0.292 304 T C -0.238 174.416 174.700 -0.077 0.000 1.012 304 T CA -0.133 61.942 62.100 -0.041 0.000 0.982 304 T CB 0.687 69.545 68.868 -0.017 0.000 1.018 304 T HN 1.617 nan 8.240 nan 0.000 0.451 305 I N -0.989 119.497 120.570 -0.140 0.000 3.170 305 I HA 0.820 4.978 4.170 -0.020 0.000 0.312 305 I C -0.759 175.309 176.117 -0.082 0.000 1.085 305 I CA -1.168 60.021 61.300 -0.186 0.000 0.999 305 I CB 2.438 40.117 38.000 -0.535 0.000 1.233 305 I HN 0.783 nan 8.210 nan 0.000 0.467 306 E N 2.184 122.370 120.200 -0.024 0.000 2.373 306 E HA 0.192 4.530 4.350 -0.020 0.000 0.251 306 E C -1.171 175.469 176.600 0.067 0.000 0.923 306 E CA -0.448 55.961 56.400 0.016 0.000 0.798 306 E CB 1.639 31.355 29.700 0.026 0.000 1.303 306 E HN 0.744 nan 8.360 nan 0.000 0.412 307 S N 3.420 119.153 115.700 0.055 0.000 2.626 307 S HA -0.038 4.420 4.470 -0.020 0.000 0.303 307 S C 0.942 175.598 174.600 0.095 0.000 1.256 307 S CA 0.221 58.482 58.200 0.101 0.000 1.069 307 S CB 0.529 63.764 63.200 0.059 0.000 0.807 307 S HN 0.489 nan 8.310 nan 0.000 0.500 308 K N 3.210 123.685 120.400 0.124 0.000 2.305 308 K HA 0.386 4.694 4.320 -0.020 0.000 0.199 308 K C 0.178 176.821 176.600 0.071 0.000 1.047 308 K CA 0.899 57.241 56.287 0.091 0.000 0.976 308 K CB 0.398 32.953 32.500 0.092 0.000 0.765 308 K HN 0.681 nan 8.250 nan 0.000 0.474 309 A N 0.736 123.600 122.820 0.073 0.000 2.511 309 A HA 0.338 4.646 4.320 -0.020 0.000 0.292 309 A C -1.489 176.121 177.584 0.043 0.000 1.045 309 A CA -0.920 51.157 52.037 0.067 0.000 0.870 309 A CB 0.655 19.708 19.000 0.088 0.000 1.361 309 A HN 0.035 nan 8.150 nan 0.000 0.396 310 K N 3.056 123.468 120.400 0.020 0.000 2.220 310 K HA 0.496 4.804 4.320 -0.020 0.000 0.283 310 K C -0.933 175.629 176.600 -0.065 0.000 1.098 310 K CA -0.095 56.177 56.287 -0.024 0.000 0.928 310 K CB -0.140 32.343 32.500 -0.027 0.000 1.214 310 K HN 0.425 nan 8.250 nan 0.000 0.442 311 L N 4.100 125.261 121.223 -0.103 0.000 2.379 311 L HA 0.443 4.771 4.340 -0.020 0.000 0.269 311 L C -0.484 176.207 176.870 -0.298 0.000 1.084 311 L CA -0.756 53.966 54.840 -0.196 0.000 0.802 311 L CB 1.772 43.749 42.059 -0.137 0.000 1.175 311 L HN 0.403 nan 8.230 nan 0.000 0.448 312 V N 2.538 122.217 119.914 -0.392 0.000 2.555 312 V HA 0.233 4.341 4.120 -0.020 0.000 0.302 312 V C 0.463 176.389 176.094 -0.280 0.000 1.038 312 V CA -0.583 61.508 62.300 -0.348 0.000 0.887 312 V CB 1.417 33.060 31.823 -0.299 0.000 0.991 312 V HN 0.605 nan 8.190 nan 0.000 0.434 313 Y N 1.225 121.445 120.300 -0.134 0.000 2.030 313 Y HA -0.239 4.299 4.550 -0.020 0.000 0.274 313 Y C 2.290 178.138 175.900 -0.086 0.000 1.153 313 Y CA 2.254 60.300 58.100 -0.090 0.000 1.115 313 Y CB -0.312 38.111 38.460 -0.061 0.000 0.969 313 Y HN 0.677 nan 8.280 nan 0.000 0.488 314 D N -0.241 120.219 120.400 0.100 0.000 2.116 314 D HA -0.201 4.427 4.640 -0.020 0.000 0.193 314 D C 2.094 178.398 176.300 0.005 0.000 0.998 314 D CA 1.576 55.599 54.000 0.038 0.000 0.836 314 D CB -0.433 40.377 40.800 0.016 0.000 0.951 314 D HN 0.527 nan 8.370 nan 0.000 0.449 315 Q N 0.267 119.996 119.800 -0.117 0.000 2.061 315 Q HA -0.110 4.218 4.340 -0.020 0.000 0.204 315 Q C 2.498 178.490 176.000 -0.014 0.000 0.984 315 Q CA 0.912 56.598 55.803 -0.196 0.000 0.846 315 Q CB -0.084 28.177 28.738 -0.796 0.000 0.902 315 Q HN 0.164 nan 8.270 nan 0.000 0.421 316 V N 0.558 120.416 119.914 -0.094 0.000 2.343 316 V HA -0.236 3.872 4.120 -0.020 0.000 0.247 316 V C 2.196 178.440 176.094 0.250 0.000 1.051 316 V CA 1.872 64.269 62.300 0.161 0.000 1.036 316 V CB -0.401 31.470 31.823 0.080 0.000 0.654 316 V HN 0.300 nan 8.190 nan 0.000 0.451 317 S N -0.283 115.510 115.700 0.155 0.000 2.382 317 S HA -0.197 4.261 4.470 -0.020 0.000 0.228 317 S C 1.703 176.383 174.600 0.133 0.000 1.027 317 S CA 1.455 59.731 58.200 0.127 0.000 0.991 317 S CB -0.351 62.897 63.200 0.080 0.000 0.823 317 S HN 0.611 nan 8.310 nan 0.000 0.469 318 D N 0.760 121.259 120.400 0.165 0.000 2.077 318 D HA -0.110 4.518 4.640 -0.020 0.000 0.196 318 D C 1.558 177.996 176.300 0.230 0.000 0.986 318 D CA 0.792 54.897 54.000 0.175 0.000 0.829 318 D CB -0.509 40.405 40.800 0.190 0.000 0.983 318 D HN 0.540 nan 8.370 nan 0.000 0.453 319 W N 1.179 122.597 121.300 0.197 0.000 2.313 319 W HA -0.230 4.418 4.660 -0.020 0.000 0.293 319 W C 1.364 177.949 176.519 0.110 0.000 1.216 319 W CA 0.572 58.030 57.345 0.187 0.000 1.223 319 W CB -0.305 29.345 29.460 0.315 0.000 1.138 319 W HN -0.018 nan 8.180 nan 0.000 0.535 320 L N 1.252 122.446 121.223 -0.049 0.000 2.179 320 L HA -0.027 4.301 4.340 -0.020 0.000 0.208 320 L C 1.881 178.643 176.870 -0.180 0.000 1.096 320 L CA 1.784 56.503 54.840 -0.202 0.000 0.779 320 L CB -0.848 41.225 42.059 0.022 0.000 0.922 320 L HN -0.057 nan 8.230 nan 0.000 0.443 321 E N -0.519 119.631 120.200 -0.084 0.000 2.403 321 E HA 0.072 4.410 4.350 -0.020 0.000 0.188 321 E C -0.043 176.507 176.600 -0.083 0.000 1.056 321 E CA -0.117 56.241 56.400 -0.070 0.000 0.892 321 E CB -0.011 29.677 29.700 -0.019 0.000 1.049 321 E HN 0.346 nan 8.360 nan 0.000 0.465 322 N N 0.974 119.587 118.700 -0.145 0.000 2.693 322 N HA -0.178 4.550 4.740 -0.020 0.000 0.249 322 N C -0.192 175.303 175.510 -0.024 0.000 1.119 322 N CA 1.311 54.286 53.050 -0.125 0.000 0.717 322 N CB -1.162 37.240 38.487 -0.141 0.000 1.071 322 N HN 0.201 nan 8.380 nan 0.000 0.555 323 T N -1.173 113.394 114.554 0.021 0.000 2.938 323 T HA 0.655 4.993 4.350 -0.020 0.000 0.285 323 T C 0.732 175.496 174.700 0.106 0.000 1.028 323 T CA 0.688 62.818 62.100 0.051 0.000 1.005 323 T CB 1.607 70.498 68.868 0.038 0.000 1.157 323 T HN 0.617 nan 8.240 nan 0.000 0.550 324 G N 1.856 110.717 108.800 0.100 0.000 2.804 324 G HA2 -0.196 3.753 3.960 -0.020 0.000 0.230 324 G HA3 -0.196 3.753 3.960 -0.020 0.000 0.230 324 G C -0.057 174.937 174.900 0.158 0.000 1.386 324 G CA 0.537 45.716 45.100 0.132 0.000 0.875 324 G HN 0.740 nan 8.290 nan 0.000 0.557 325 D N -1.319 119.190 120.400 0.183 0.000 2.324 325 D HA 0.155 4.783 4.640 -0.020 0.000 0.212 325 D C 0.854 177.282 176.300 0.212 0.000 0.984 325 D CA 0.479 54.580 54.000 0.168 0.000 0.885 325 D CB 0.115 40.997 40.800 0.137 0.000 0.996 325 D HN 0.501 nan 8.370 nan 0.000 0.505 326 W N 2.978 124.334 121.300 0.093 0.000 2.303 326 W HA 0.219 4.867 4.660 -0.020 0.000 0.318 326 W C -0.193 176.364 176.519 0.063 0.000 1.362 326 W CA -0.121 57.258 57.345 0.057 0.000 1.234 326 W CB 0.406 29.889 29.460 0.039 0.000 1.248 326 W HN -0.166 nan 8.180 nan 0.000 0.546 327 Q N 6.879 126.155 119.800 -0.875 0.000 2.257 327 Q HA 0.341 4.670 4.340 -0.020 0.000 0.262 327 Q C -2.075 172.666 176.000 -2.098 0.000 0.997 327 Q CA -2.049 52.993 55.803 -1.268 0.000 0.873 327 Q CB 1.437 29.748 28.738 -0.711 0.000 1.312 327 Q HN 0.229 nan 8.270 nan 0.000 0.450 328 P HA -0.067 nan 4.420 nan 0.000 0.265 328 P C -0.279 176.605 177.300 -0.695 0.000 1.187 328 P CA 0.332 62.729 63.100 -1.172 0.000 0.766 328 P CB 0.583 31.765 31.700 -0.862 0.000 0.820 329 E N 0.345 120.311 120.200 -0.391 0.000 2.265 329 E HA -0.075 4.263 4.350 -0.020 0.000 0.196 329 E C 0.599 177.086 176.600 -0.188 0.000 0.996 329 E CA 1.021 57.283 56.400 -0.230 0.000 0.832 329 E CB -0.152 29.492 29.700 -0.093 0.000 0.756 329 E HN 0.566 nan 8.360 nan 0.000 0.491 330 S N -2.012 113.571 115.700 -0.195 0.000 2.643 330 S HA 0.310 4.768 4.470 -0.020 0.000 0.270 330 S C 0.521 175.041 174.600 -0.134 0.000 1.166 330 S CA -0.956 57.164 58.200 -0.133 0.000 0.815 330 S CB 1.474 64.630 63.200 -0.073 0.000 1.139 330 S HN -0.204 nan 8.310 nan 0.000 0.472 331 E N 0.850 121.003 120.200 -0.079 0.000 2.072 331 E HA -0.036 4.302 4.350 -0.020 0.000 0.191 331 E C 2.248 178.831 176.600 -0.029 0.000 0.985 331 E CA 1.665 58.038 56.400 -0.045 0.000 0.801 331 E CB -0.847 28.843 29.700 -0.018 0.000 0.750 331 E HN 0.742 nan 8.360 nan 0.000 0.452 332 A N 1.449 124.256 122.820 -0.021 0.000 1.903 332 A HA -0.223 4.085 4.320 -0.020 0.000 0.219 332 A C 2.142 179.723 177.584 -0.004 0.000 1.191 332 A CA 1.789 53.826 52.037 -0.000 0.000 0.638 332 A CB -0.557 18.451 19.000 0.014 0.000 0.823 332 A HN 0.234 nan 8.150 nan 0.000 0.451 333 I N -0.282 120.271 120.570 -0.028 0.000 2.233 333 I HA -0.152 4.007 4.170 -0.020 0.000 0.243 333 I C 2.989 179.085 176.117 -0.034 0.000 1.093 333 I CA 1.106 62.391 61.300 -0.025 0.000 1.380 333 I CB -1.882 36.093 38.000 -0.041 0.000 1.067 333 I HN 0.353 nan 8.210 nan 0.000 0.413 334 A N 0.820 123.585 122.820 -0.091 0.000 1.884 334 A HA -0.309 3.999 4.320 -0.020 0.000 0.219 334 A C 2.328 179.974 177.584 0.103 0.000 1.197 334 A CA 2.489 54.519 52.037 -0.011 0.000 0.637 334 A CB -0.791 18.209 19.000 0.000 0.000 0.827 334 A HN 0.428 nan 8.150 nan 0.000 0.450 335 E N -0.594 119.635 120.200 0.049 0.000 2.077 335 E HA -0.183 4.155 4.350 -0.020 0.000 0.193 335 E C 2.198 178.797 176.600 -0.001 0.000 0.989 335 E CA 1.525 57.944 56.400 0.032 0.000 0.800 335 E CB -0.273 29.431 29.700 0.006 0.000 0.746 335 E HN 0.544 nan 8.360 nan 0.000 0.452 336 Q N -0.020 119.767 119.800 -0.021 0.000 2.061 336 Q HA -0.123 4.205 4.340 -0.020 0.000 0.204 336 Q C 2.368 178.364 176.000 -0.008 0.000 0.984 336 Q CA 1.579 57.346 55.803 -0.060 0.000 0.846 336 Q CB -0.633 28.083 28.738 -0.038 0.000 0.902 336 Q HN 0.297 nan 8.270 nan 0.000 0.421 337 V N 0.759 120.712 119.914 0.065 0.000 2.343 337 V HA -0.254 3.854 4.120 -0.020 0.000 0.247 337 V C 2.471 178.642 176.094 0.128 0.000 1.051 337 V CA 1.811 64.190 62.300 0.131 0.000 1.036 337 V CB -0.468 31.505 31.823 0.249 0.000 0.654 337 V HN 0.291 nan 8.190 nan 0.000 0.451 338 R N -0.913 119.663 120.500 0.126 0.000 2.066 338 R HA -0.096 4.232 4.340 -0.020 0.000 0.232 338 R C 2.243 178.562 176.300 0.032 0.000 1.131 338 R CA 1.211 57.366 56.100 0.091 0.000 0.955 338 R CB -0.400 29.954 30.300 0.090 0.000 0.851 338 R HN 0.292 nan 8.270 nan 0.000 0.432 339 L N 0.879 122.100 121.223 -0.003 0.000 2.043 339 L HA -0.198 4.130 4.340 -0.020 0.000 0.212 339 L C 2.194 179.041 176.870 -0.039 0.000 1.075 339 L CA 1.637 56.450 54.840 -0.044 0.000 0.752 339 L CB -0.702 41.291 42.059 -0.109 0.000 0.891 339 L HN 0.219 nan 8.230 nan 0.000 0.432 340 L N -1.421 119.785 121.223 -0.028 0.000 2.083 340 L HA -0.186 4.142 4.340 -0.020 0.000 0.209 340 L C 2.540 179.422 176.870 0.020 0.000 1.083 340 L CA 1.100 55.934 54.840 -0.009 0.000 0.752 340 L CB -0.658 41.405 42.059 0.006 0.000 0.899 340 L HN 0.276 nan 8.230 nan 0.000 0.433 341 A N -0.991 121.850 122.820 0.036 0.000 1.969 341 A HA -0.223 4.085 4.320 -0.020 0.000 0.218 341 A C 2.246 179.844 177.584 0.023 0.000 1.169 341 A CA 1.280 53.341 52.037 0.039 0.000 0.635 341 A CB -0.354 18.675 19.000 0.049 0.000 0.810 341 A HN 0.442 nan 8.150 nan 0.000 0.445 342 Q N -0.464 119.344 119.800 0.013 0.000 2.046 342 Q HA -0.108 4.220 4.340 -0.020 0.000 0.200 342 Q C 1.986 177.993 176.000 0.012 0.000 0.975 342 Q CA 1.414 57.222 55.803 0.008 0.000 0.836 342 Q CB -0.215 28.522 28.738 -0.002 0.000 0.896 342 Q HN 0.718 nan 8.270 nan 0.000 0.428 343 I N 0.203 120.776 120.570 0.004 0.000 2.118 343 I HA -0.417 3.742 4.170 -0.020 0.000 0.241 343 I C 2.807 178.939 176.117 0.026 0.000 1.070 343 I CA 1.206 62.510 61.300 0.007 0.000 1.327 343 I CB -0.497 37.498 38.000 -0.009 0.000 1.034 343 I HN 0.447 nan 8.210 nan 0.000 0.405 344 C N 0.756 120.075 119.300 0.030 0.000 2.401 344 C HA -0.251 4.197 4.460 -0.020 0.000 0.276 344 C C 3.018 178.037 174.990 0.048 0.000 1.233 344 C CA 1.921 60.964 59.018 0.042 0.000 1.753 344 C CB -1.029 26.735 27.740 0.041 0.000 2.029 344 C HN 0.629 nan 8.230 nan 0.000 0.478 345 Q N 0.499 120.323 119.800 0.039 0.000 2.050 345 Q HA -0.161 4.168 4.340 -0.020 0.000 0.202 345 Q C 2.440 178.476 176.000 0.061 0.000 0.980 345 Q CA 1.966 57.792 55.803 0.038 0.000 0.840 345 Q CB -0.415 28.337 28.738 0.023 0.000 0.898 345 Q HN 0.685 nan 8.270 nan 0.000 0.424 346 R N -0.428 120.112 120.500 0.067 0.000 2.081 346 R HA -0.025 4.303 4.340 -0.020 0.000 0.235 346 R C 2.441 178.837 176.300 0.161 0.000 1.131 346 R CA 1.234 57.395 56.100 0.102 0.000 0.960 346 R CB -0.203 30.144 30.300 0.078 0.000 0.856 346 R HN 0.211 nan 8.270 nan 0.000 0.436 347 R N 0.174 120.750 120.500 0.127 0.000 2.066 347 R HA -0.035 4.293 4.340 -0.020 0.000 0.232 347 R C 2.369 178.802 176.300 0.222 0.000 1.131 347 R CA 1.458 57.654 56.100 0.160 0.000 0.955 347 R CB -1.177 29.172 30.300 0.081 0.000 0.851 347 R HN 0.357 nan 8.270 nan 0.000 0.432 348 G N 1.394 110.285 108.800 0.151 0.000 2.553 348 G HA2 -0.311 3.637 3.960 -0.020 0.000 0.218 348 G HA3 -0.311 3.637 3.960 -0.020 0.000 0.218 348 G C 1.338 176.345 174.900 0.178 0.000 1.195 348 G CA 0.979 46.163 45.100 0.140 0.000 0.779 348 G HN 0.381 nan 8.290 nan 0.000 0.577 349 E N -0.793 119.498 120.200 0.153 0.000 2.070 349 E HA -0.220 4.118 4.350 -0.020 0.000 0.197 349 E C 2.054 178.796 176.600 0.236 0.000 1.004 349 E CA 1.205 57.695 56.400 0.149 0.000 0.805 349 E CB -0.281 29.488 29.700 0.115 0.000 0.744 349 E HN 0.664 nan 8.360 nan 0.000 0.451 350 W N 1.513 122.891 121.300 0.131 0.000 2.355 350 W HA -0.175 4.473 4.660 -0.020 0.000 0.309 350 W C 2.226 178.860 176.519 0.192 0.000 1.206 350 W CA 1.555 59.015 57.345 0.192 0.000 1.284 350 W CB 0.080 29.622 29.460 0.137 0.000 1.145 350 W HN -0.120 nan 8.180 nan 0.000 0.502 351 R N -1.265 119.544 120.500 0.515 0.000 2.075 351 R HA -0.186 4.143 4.340 -0.020 0.000 0.232 351 R C 2.050 178.408 176.300 0.098 0.000 1.126 351 R CA 1.706 58.021 56.100 0.357 0.000 0.963 351 R CB -1.309 29.190 30.300 0.332 0.000 0.858 351 R HN 0.364 nan 8.270 nan 0.000 0.435 352 H N 1.257 120.344 119.070 0.029 0.000 2.304 352 H HA -0.208 4.336 4.556 -0.020 0.000 0.287 352 H C 1.660 176.881 175.328 -0.179 0.000 1.112 352 H CA 2.428 58.444 56.048 -0.054 0.000 1.200 352 H CB 0.063 29.809 29.762 -0.026 0.000 1.349 352 H HN 0.143 nan 8.280 nan 0.000 0.477 353 N N -1.045 117.504 118.700 -0.251 0.000 2.290 353 N HA -0.069 4.659 4.740 -0.020 0.000 0.179 353 N C 1.021 175.961 175.510 -0.950 0.000 1.016 353 N CA 1.237 53.938 53.050 -0.582 0.000 0.871 353 N CB 0.135 38.261 38.487 -0.601 0.000 0.987 353 N HN 0.609 nan 8.380 nan 0.000 0.431 354 H N -1.271 117.406 119.070 -0.655 0.000 2.893 354 H HA 0.551 5.095 4.556 -0.020 0.000 0.270 354 H C 0.490 175.524 175.328 -0.490 0.000 1.095 354 H CA 0.103 55.675 56.048 -0.793 0.000 1.186 354 H CB 1.354 30.151 29.762 -1.608 0.000 1.562 354 H HN 0.118 nan 8.280 nan 0.000 0.536 355 A N 0.643 123.330 122.820 -0.220 0.000 4.238 355 A HA 0.692 5.000 4.320 -0.020 0.000 0.196 355 A C -1.433 176.124 177.584 -0.045 0.000 0.732 355 A CA -0.484 51.535 52.037 -0.030 0.000 0.721 355 A CB 0.933 20.043 19.000 0.183 0.000 1.642 355 A HN 0.076 nan 8.150 nan 0.000 0.861 356 L N 0.249 121.480 121.223 0.014 0.000 2.431 356 L HA 0.598 4.926 4.340 -0.020 0.000 0.266 356 L C -1.441 175.465 176.870 0.061 0.000 0.978 356 L CA -0.883 53.968 54.840 0.017 0.000 0.822 356 L CB 2.194 44.275 42.059 0.038 0.000 1.310 356 L HN 0.360 nan 8.230 nan 0.000 0.409 357 V N 2.781 122.745 119.914 0.084 0.000 2.370 357 V HA 0.331 4.439 4.120 -0.020 0.000 0.283 357 V C -0.219 175.988 176.094 0.187 0.000 1.023 357 V CA -0.497 61.877 62.300 0.123 0.000 0.857 357 V CB 1.606 33.501 31.823 0.120 0.000 0.985 357 V HN 0.399 nan 8.190 nan 0.000 0.443 358 F N 4.848 124.800 119.950 0.004 0.000 2.471 358 F HA 0.398 4.913 4.527 -0.020 0.000 0.353 358 F C 0.523 176.327 175.800 0.006 0.000 1.113 358 F CA -0.937 57.066 58.000 0.006 0.000 1.262 358 F CB 0.814 39.815 39.000 0.002 0.000 1.146 358 F HN 0.414 nan 8.300 nan 0.000 0.578 359 K N 4.239 124.397 120.400 -0.403 0.000 2.349 359 K HA 0.093 4.401 4.320 -0.020 0.000 0.289 359 K C -0.865 175.343 176.600 -0.653 0.000 1.064 359 K CA -0.163 55.866 56.287 -0.430 0.000 0.947 359 K CB -0.241 32.096 32.500 -0.271 0.000 1.007 359 K HN 0.470 nan 8.250 nan 0.000 0.478 360 D N 3.898 124.087 120.400 -0.352 0.000 3.659 360 D HA -0.186 4.442 4.640 -0.020 0.000 0.218 360 D C -0.209 175.919 176.300 -0.287 0.000 1.220 360 D CA 1.021 54.851 54.000 -0.283 0.000 0.803 360 D CB 0.051 40.746 40.800 -0.175 0.000 1.180 360 D HN 0.421 nan 8.370 nan 0.000 0.610 361 R N 2.687 123.016 120.500 -0.285 0.000 2.343 361 R HA 0.495 4.823 4.340 -0.020 0.000 0.320 361 R C -2.715 173.458 176.300 -0.212 0.000 0.956 361 R CA -1.872 54.099 56.100 -0.214 0.000 0.836 361 R CB 0.766 30.970 30.300 -0.159 0.000 1.151 361 R HN 0.097 nan 8.270 nan 0.000 0.450 362 P HA 0.026 nan 4.420 nan 0.000 0.265 362 P C -0.940 176.003 177.300 -0.596 0.000 1.193 362 P CA 0.088 62.910 63.100 -0.463 0.000 0.765 362 P CB 0.672 32.013 31.700 -0.598 0.000 0.823 363 D N 2.288 122.400 120.400 -0.481 0.000 2.392 363 D HA 0.222 4.850 4.640 -0.020 0.000 0.228 363 D C -0.618 175.470 176.300 -0.353 0.000 1.074 363 D CA -0.354 53.452 54.000 -0.323 0.000 0.838 363 D CB 0.259 40.959 40.800 -0.167 0.000 1.067 363 D HN 0.216 nan 8.370 nan 0.000 0.511 364 Y N 1.841 122.114 120.300 -0.046 0.000 2.313 364 Y HA 0.326 4.864 4.550 -0.020 0.000 0.332 364 Y C 1.052 176.864 175.900 -0.147 0.000 1.071 364 Y CA -0.656 57.373 58.100 -0.118 0.000 1.169 364 Y CB 1.217 39.589 38.460 -0.147 0.000 1.192 364 Y HN 0.092 nan 8.280 nan 0.000 0.487 365 R N 3.206 123.691 120.500 -0.024 0.000 2.445 365 R HA 0.483 4.811 4.340 -0.020 0.000 0.308 365 R C -1.681 174.548 176.300 -0.118 0.000 0.961 365 R CA -0.724 55.373 56.100 -0.004 0.000 0.862 365 R CB 0.696 31.008 30.300 0.020 0.000 1.144 365 R HN 0.521 nan 8.270 nan 0.000 0.447 366 F N 4.913 124.831 119.950 -0.052 0.000 2.427 366 F HA 0.317 4.832 4.527 -0.020 0.000 0.352 366 F C 0.495 176.265 175.800 -0.051 0.000 1.100 366 F CA -0.345 57.588 58.000 -0.111 0.000 1.191 366 F CB 0.786 39.705 39.000 -0.136 0.000 1.128 366 F HN 0.276 nan 8.300 nan 0.000 0.533 367 I N 5.394 126.009 120.570 0.075 0.000 2.307 367 I HA 0.265 4.423 4.170 -0.020 0.000 0.289 367 I C -0.527 175.644 176.117 0.090 0.000 1.021 367 I CA -0.195 61.147 61.300 0.070 0.000 1.224 367 I CB 0.526 38.545 38.000 0.032 0.000 1.376 367 I HN 0.390 nan 8.210 nan 0.000 0.470 368 L N 5.436 126.720 121.223 0.102 0.000 2.334 368 L HA 0.713 5.041 4.340 -0.020 0.000 0.272 368 L C 0.800 177.709 176.870 0.064 0.000 1.020 368 L CA -0.583 54.318 54.840 0.102 0.000 0.812 368 L CB 1.581 43.718 42.059 0.130 0.000 1.264 368 L HN 0.566 nan 8.230 nan 0.000 0.439 369 G N -0.009 108.823 108.800 0.053 0.000 2.557 369 G HA2 0.289 4.237 3.960 -0.020 0.000 0.302 369 G HA3 0.289 4.237 3.960 -0.020 0.000 0.302 369 G C 0.313 175.220 174.900 0.011 0.000 1.311 369 G CA -0.300 44.815 45.100 0.026 0.000 1.030 369 G HN 0.771 nan 8.290 nan 0.000 0.509 370 E N -0.513 119.689 120.200 0.003 0.000 2.153 370 E HA -0.092 4.246 4.350 -0.020 0.000 0.194 370 E C 1.489 178.116 176.600 0.046 0.000 0.988 370 E CA 1.005 57.418 56.400 0.021 0.000 0.811 370 E CB 0.060 29.769 29.700 0.016 0.000 0.746 370 E HN 0.334 nan 8.360 nan 0.000 0.466 371 K N -0.517 119.824 120.400 -0.097 0.000 2.446 371 K HA 0.157 4.465 4.320 -0.020 0.000 0.203 371 K C 0.414 176.791 176.600 -0.372 0.000 1.027 371 K CA 0.345 56.412 56.287 -0.366 0.000 1.166 371 K CB 0.880 32.998 32.500 -0.637 0.000 0.869 371 K HN 0.202 nan 8.250 nan 0.000 0.504 372 G N 1.477 110.226 108.800 -0.086 0.000 2.225 372 G HA2 -0.330 3.618 3.960 -0.020 0.000 0.267 372 G HA3 -0.330 3.618 3.960 -0.020 0.000 0.267 372 G C -0.172 174.792 174.900 0.106 0.000 1.024 372 G CA 0.427 45.579 45.100 0.086 0.000 0.784 372 G HN 0.434 nan 8.290 nan 0.000 0.507 373 E N -1.133 119.080 120.200 0.023 0.000 2.250 373 E HA 0.576 4.914 4.350 -0.020 0.000 0.265 373 E C 0.499 177.169 176.600 0.116 0.000 1.033 373 E CA -0.577 55.862 56.400 0.066 0.000 0.888 373 E CB 1.738 31.458 29.700 0.033 0.000 1.151 373 E HN 0.583 nan 8.360 nan 0.000 0.412 374 V N 6.013 126.032 119.914 0.176 0.000 2.372 374 V HA 0.112 4.220 4.120 -0.020 0.000 0.261 374 V C 0.753 176.998 176.094 0.252 0.000 1.055 374 V CA 0.140 62.565 62.300 0.208 0.000 0.930 374 V CB -0.268 31.646 31.823 0.153 0.000 1.031 374 V HN 0.739 nan 8.190 nan 0.000 0.479 375 L N 4.069 125.385 121.223 0.155 0.000 2.027 375 L HA 0.246 4.574 4.340 -0.020 0.000 0.206 375 L C 0.901 177.894 176.870 0.205 0.000 1.074 375 L CA 1.175 56.111 54.840 0.161 0.000 0.745 375 L CB -0.274 41.847 42.059 0.104 0.000 0.898 375 L HN 0.664 nan 8.230 nan 0.000 0.433 376 D N -2.091 118.325 120.400 0.027 0.000 2.694 376 D HA 0.444 5.072 4.640 -0.020 0.000 0.260 376 D C -1.567 174.502 176.300 -0.385 0.000 1.250 376 D CA -0.510 53.428 54.000 -0.104 0.000 0.763 376 D CB 1.694 42.524 40.800 0.050 0.000 1.311 376 D HN -0.083 nan 8.370 nan 0.000 0.420 377 I N 1.455 121.718 120.570 -0.512 0.000 2.439 377 I HA 0.405 4.563 4.170 -0.020 0.000 0.285 377 I C -0.278 175.736 176.117 -0.172 0.000 1.021 377 I CA -1.153 59.860 61.300 -0.479 0.000 1.091 377 I CB 1.810 39.352 38.000 -0.763 0.000 1.242 377 I HN 0.187 nan 8.210 nan 0.000 0.439 378 V N 2.889 122.752 119.914 -0.085 0.000 2.409 378 V HA 0.728 4.836 4.120 -0.020 0.000 0.291 378 V C 0.540 176.664 176.094 0.049 0.000 1.020 378 V CA -0.781 61.528 62.300 0.016 0.000 0.848 378 V CB 1.440 33.264 31.823 0.002 0.000 0.990 378 V HN 0.814 nan 8.190 nan 0.000 0.430 379 A N 4.743 127.627 122.820 0.106 0.000 2.594 379 A HA 0.215 4.523 4.320 -0.020 0.000 0.291 379 A C 0.821 178.339 177.584 -0.110 0.000 1.374 379 A CA 0.201 52.178 52.037 -0.100 0.000 1.025 379 A CB -0.717 18.027 19.000 -0.426 0.000 1.072 379 A HN 1.156 nan 8.150 nan 0.000 0.555 380 E N 3.496 123.628 120.200 -0.115 0.000 2.238 380 E HA 0.270 4.608 4.350 -0.020 0.000 0.264 380 E C -2.346 174.179 176.600 -0.126 0.000 1.136 380 E CA -1.405 54.937 56.400 -0.097 0.000 0.929 380 E CB -0.000 29.649 29.700 -0.085 0.000 1.010 380 E HN 0.422 nan 8.360 nan 0.000 0.440 381 P HA 0.186 nan 4.420 nan 0.000 0.276 381 P C -0.656 176.576 177.300 -0.115 0.000 1.252 381 P CA -0.602 62.433 63.100 -0.109 0.000 0.802 381 P CB 0.788 32.442 31.700 -0.078 0.000 1.035 382 R N 1.541 121.970 120.500 -0.118 0.000 2.312 382 R HA 0.477 4.805 4.340 -0.020 0.000 0.311 382 R C 0.370 176.612 176.300 -0.097 0.000 1.004 382 R CA -0.455 55.568 56.100 -0.129 0.000 0.902 382 R CB 1.270 31.494 30.300 -0.128 0.000 1.073 382 R HN 0.518 nan 8.270 nan 0.000 0.457 383 R N 1.367 121.807 120.500 -0.098 0.000 2.912 383 R HA 0.233 4.561 4.340 -0.020 0.000 0.262 383 R C 1.444 177.722 176.300 -0.036 0.000 1.057 383 R CA -0.857 55.212 56.100 -0.053 0.000 0.981 383 R CB 0.910 31.192 30.300 -0.030 0.000 1.201 383 R HN 0.428 nan 8.270 nan 0.000 0.484 384 I N 0.295 120.863 120.570 -0.004 0.000 2.181 384 I HA -0.323 3.835 4.170 -0.020 0.000 0.247 384 I C 2.136 178.282 176.117 0.048 0.000 1.081 384 I CA 2.127 63.438 61.300 0.019 0.000 1.340 384 I CB -0.911 37.109 38.000 0.033 0.000 1.036 384 I HN 0.718 nan 8.210 nan 0.000 0.417 385 A N 0.841 123.710 122.820 0.083 0.000 1.969 385 A HA -0.194 4.114 4.320 -0.020 0.000 0.218 385 A C 2.096 179.806 177.584 0.210 0.000 1.169 385 A CA 2.137 54.285 52.037 0.185 0.000 0.635 385 A CB -1.139 18.023 19.000 0.270 0.000 0.810 385 A HN 0.611 nan 8.150 nan 0.000 0.445 386 N N -0.622 118.052 118.700 -0.043 0.000 2.106 386 N HA -0.147 4.581 4.740 -0.020 0.000 0.188 386 N C 1.854 177.322 175.510 -0.069 0.000 1.029 386 N CA 1.564 54.445 53.050 -0.281 0.000 0.848 386 N CB -0.239 38.009 38.487 -0.400 0.000 1.007 386 N HN 0.465 nan 8.380 nan 0.000 0.423 387 R N 1.080 121.560 120.500 -0.034 0.000 2.096 387 R HA 0.082 4.410 4.340 -0.020 0.000 0.235 387 R C 1.827 178.152 176.300 0.042 0.000 1.127 387 R CA 0.922 57.024 56.100 0.003 0.000 0.968 387 R CB -0.484 29.817 30.300 0.001 0.000 0.861 387 R HN 0.255 nan 8.270 nan 0.000 0.440 388 I N -0.393 120.216 120.570 0.065 0.000 2.151 388 I HA -0.322 3.836 4.170 -0.020 0.000 0.243 388 I C 1.932 178.101 176.117 0.085 0.000 1.080 388 I CA 1.401 62.747 61.300 0.077 0.000 1.339 388 I CB -0.237 37.820 38.000 0.094 0.000 1.039 388 I HN 0.057 nan 8.210 nan 0.000 0.409 389 V N 0.613 120.601 119.914 0.124 0.000 2.323 389 V HA -0.273 3.835 4.120 -0.020 0.000 0.244 389 V C 2.448 178.590 176.094 0.081 0.000 1.041 389 V CA 2.119 64.495 62.300 0.125 0.000 1.025 389 V CB -0.654 31.311 31.823 0.236 0.000 0.656 389 V HN 0.497 nan 8.190 nan 0.000 0.451 390 E N 0.317 120.557 120.200 0.067 0.000 2.033 390 E HA -0.287 4.051 4.350 -0.020 0.000 0.199 390 E C 2.177 178.813 176.600 0.060 0.000 1.011 390 E CA 1.807 58.238 56.400 0.051 0.000 0.815 390 E CB -0.189 29.528 29.700 0.029 0.000 0.755 390 E HN 0.518 nan 8.360 nan 0.000 0.451 391 E N 0.226 120.460 120.200 0.058 0.000 2.130 391 E HA -0.240 4.099 4.350 -0.020 0.000 0.196 391 E C 1.961 178.594 176.600 0.056 0.000 0.998 391 E CA 1.271 57.708 56.400 0.062 0.000 0.806 391 E CB -0.442 29.293 29.700 0.059 0.000 0.738 391 E HN 0.470 nan 8.360 nan 0.000 0.459 392 A N 0.730 123.579 122.820 0.049 0.000 1.897 392 A HA -0.122 4.186 4.320 -0.020 0.000 0.215 392 A C 2.163 179.769 177.584 0.036 0.000 1.181 392 A CA 1.293 53.354 52.037 0.039 0.000 0.620 392 A CB -0.242 18.780 19.000 0.037 0.000 0.821 392 A HN 0.098 nan 8.150 nan 0.000 0.443 393 M N -0.340 119.279 119.600 0.032 0.000 2.132 393 M HA -0.019 4.449 4.480 -0.020 0.000 0.263 393 M C 2.122 178.468 176.300 0.077 0.000 1.065 393 M CA 1.196 56.501 55.300 0.008 0.000 1.122 393 M CB -1.301 31.304 32.600 0.009 0.000 1.365 393 M HN 0.403 nan 8.290 nan 0.000 0.411 394 I N 0.120 120.768 120.570 0.130 0.000 2.179 394 I HA -0.269 3.889 4.170 -0.020 0.000 0.242 394 I C 2.575 178.814 176.117 0.203 0.000 1.088 394 I CA 1.321 62.760 61.300 0.233 0.000 1.357 394 I CB -0.591 37.505 38.000 0.159 0.000 1.051 394 I HN 0.220 nan 8.210 nan 0.000 0.409 395 A N 0.682 123.566 122.820 0.107 0.000 1.883 395 A HA -0.210 4.098 4.320 -0.020 0.000 0.217 395 A C 2.548 180.199 177.584 0.113 0.000 1.186 395 A CA 1.990 54.065 52.037 0.064 0.000 0.624 395 A CB -1.013 17.992 19.000 0.009 0.000 0.822 395 A HN 0.439 nan 8.150 nan 0.000 0.444 396 A N 0.121 123.022 122.820 0.136 0.000 1.908 396 A HA -0.228 4.080 4.320 -0.020 0.000 0.218 396 A C 1.928 179.784 177.584 0.454 0.000 1.181 396 A CA 1.917 54.119 52.037 0.275 0.000 0.627 396 A CB -0.612 18.482 19.000 0.156 0.000 0.818 396 A HN 0.567 nan 8.150 nan 0.000 0.445 397 N N -0.291 118.545 118.700 0.226 0.000 2.300 397 N HA 0.011 4.739 4.740 -0.020 0.000 0.179 397 N C 1.620 177.136 175.510 0.010 0.000 1.016 397 N CA 1.030 54.131 53.050 0.085 0.000 0.876 397 N CB -0.325 37.970 38.487 -0.320 0.000 0.979 397 N HN 0.562 nan 8.380 nan 0.000 0.432 398 I N 0.413 121.066 120.570 0.138 0.000 2.226 398 I HA -0.284 3.875 4.170 -0.020 0.000 0.245 398 I C 2.138 178.334 176.117 0.131 0.000 1.100 398 I CA 0.720 62.119 61.300 0.165 0.000 1.374 398 I CB -0.174 37.917 38.000 0.151 0.000 1.057 398 I HN 0.128 nan 8.210 nan 0.000 0.413 399 C N 0.623 120.021 119.300 0.163 0.000 2.413 399 C HA -0.208 4.240 4.460 -0.020 0.000 0.276 399 C C 3.183 178.314 174.990 0.234 0.000 1.236 399 C CA 1.150 60.285 59.018 0.194 0.000 1.735 399 C CB -1.222 26.629 27.740 0.185 0.000 2.031 399 C HN 0.616 nan 8.230 nan 0.000 0.474 400 A N 0.279 123.217 122.820 0.197 0.000 1.898 400 A HA 0.087 4.395 4.320 -0.020 0.000 0.216 400 A C 2.377 179.842 177.584 -0.198 0.000 1.181 400 A CA 2.045 53.968 52.037 -0.189 0.000 0.620 400 A CB -0.971 17.838 19.000 -0.317 0.000 0.819 400 A HN 0.586 nan 8.150 nan 0.000 0.442 401 A N -0.016 122.747 122.820 -0.094 0.000 1.892 401 A HA -0.231 4.077 4.320 -0.020 0.000 0.218 401 A C 2.270 179.950 177.584 0.160 0.000 1.188 401 A CA 1.792 53.842 52.037 0.021 0.000 0.631 401 A CB -0.505 18.593 19.000 0.163 0.000 0.822 401 A HN 0.575 nan 8.150 nan 0.000 0.447 402 R N -0.976 119.584 120.500 0.100 0.000 2.066 402 R HA -0.059 4.269 4.340 -0.020 0.000 0.232 402 R C 2.091 178.409 176.300 0.029 0.000 1.131 402 R CA 1.480 57.629 56.100 0.081 0.000 0.955 402 R CB -0.589 29.754 30.300 0.071 0.000 0.851 402 R HN 0.391 nan 8.270 nan 0.000 0.432 403 V N 1.559 121.461 119.914 -0.019 0.000 2.358 403 V HA -0.197 3.911 4.120 -0.020 0.000 0.246 403 V C 2.311 178.310 176.094 -0.158 0.000 1.047 403 V CA 1.554 63.798 62.300 -0.093 0.000 1.035 403 V CB -0.391 31.342 31.823 -0.149 0.000 0.658 403 V HN 0.274 nan 8.190 nan 0.000 0.452 404 L N -0.314 120.796 121.223 -0.187 0.000 2.083 404 L HA -0.181 4.147 4.340 -0.020 0.000 0.209 404 L C 2.723 179.556 176.870 -0.061 0.000 1.083 404 L CA 1.794 56.529 54.840 -0.175 0.000 0.752 404 L CB -0.613 41.338 42.059 -0.179 0.000 0.899 404 L HN 0.292 nan 8.230 nan 0.000 0.433 405 R N 0.473 121.020 120.500 0.079 0.000 2.070 405 R HA -0.179 4.149 4.340 -0.020 0.000 0.233 405 R C 1.924 178.202 176.300 -0.036 0.000 1.137 405 R CA 2.113 58.235 56.100 0.038 0.000 0.945 405 R CB -0.273 30.064 30.300 0.062 0.000 0.845 405 R HN 0.403 nan 8.270 nan 0.000 0.430 406 D N 0.712 121.092 120.400 -0.033 0.000 2.087 406 D HA -0.190 4.439 4.640 -0.020 0.000 0.192 406 D C 1.713 177.966 176.300 -0.078 0.000 0.993 406 D CA 1.262 55.235 54.000 -0.045 0.000 0.828 406 D CB -0.185 40.602 40.800 -0.022 0.000 0.968 406 D HN 0.210 nan 8.370 nan 0.000 0.448 407 K N 0.183 120.514 120.400 -0.115 0.000 2.186 407 K HA 0.116 4.425 4.320 -0.020 0.000 0.202 407 K C 2.455 178.935 176.600 -0.200 0.000 1.052 407 K CA 0.267 56.473 56.287 -0.136 0.000 0.965 407 K CB 0.080 32.492 32.500 -0.145 0.000 0.746 407 K HN 0.264 nan 8.250 nan 0.000 0.457 408 L N -1.444 119.597 121.223 -0.304 0.000 2.262 408 L HA 0.246 4.574 4.340 -0.020 0.000 0.197 408 L C 1.556 178.135 176.870 -0.484 0.000 1.073 408 L CA 0.797 55.300 54.840 -0.561 0.000 0.800 408 L CB -0.351 41.081 42.059 -1.045 0.000 0.987 408 L HN 0.303 nan 8.230 nan 0.000 0.470 409 G N 0.313 108.939 108.800 -0.290 0.000 2.176 409 G HA2 -0.256 3.692 3.960 -0.020 0.000 0.232 409 G HA3 -0.256 3.692 3.960 -0.020 0.000 0.232 409 G C 0.118 175.056 174.900 0.064 0.000 0.986 409 G CA 0.155 45.211 45.100 -0.074 0.000 0.643 409 G HN 0.393 nan 8.290 nan 0.000 0.522 410 F N -2.220 117.769 119.950 0.065 0.000 2.745 410 F HA 0.853 5.368 4.527 -0.020 0.000 0.316 410 F C 0.304 176.247 175.800 0.240 0.000 1.155 410 F CA -0.610 57.465 58.000 0.124 0.000 0.937 410 F CB 1.068 40.105 39.000 0.063 0.000 1.361 410 F HN 1.106 nan 8.300 nan 0.000 0.472 411 G N 0.269 109.428 108.800 0.599 0.000 2.315 411 G HA2 0.399 4.347 3.960 -0.020 0.000 0.294 411 G HA3 0.399 4.347 3.960 -0.020 0.000 0.294 411 G C -2.340 172.722 174.900 0.269 0.000 1.300 411 G CA -1.044 44.239 45.100 0.305 0.000 0.843 411 G HN 0.665 nan 8.290 nan 0.000 0.527 412 I N 1.485 122.081 120.570 0.043 0.000 2.281 412 I HA 0.328 4.486 4.170 -0.020 0.000 0.293 412 I C -0.697 175.408 176.117 -0.020 0.000 1.085 412 I CA -0.431 60.910 61.300 0.068 0.000 1.257 412 I CB -0.443 37.571 38.000 0.023 0.000 1.430 412 I HN 0.326 nan 8.210 nan 0.000 0.489 413 Y N 4.667 125.028 120.300 0.102 0.000 2.420 413 Y HA 0.348 4.886 4.550 -0.020 0.000 0.334 413 Y C 0.809 176.812 175.900 0.172 0.000 1.094 413 Y CA -0.571 57.605 58.100 0.126 0.000 1.126 413 Y CB 1.430 39.962 38.460 0.121 0.000 1.217 413 Y HN 0.436 nan 8.280 nan 0.000 0.462 414 N N 2.024 120.960 118.700 0.393 0.000 2.422 414 N HA 0.332 5.060 4.740 -0.020 0.000 0.266 414 N C -1.467 174.324 175.510 0.468 0.000 1.007 414 N CA -0.250 53.058 53.050 0.429 0.000 0.941 414 N CB 2.209 41.011 38.487 0.525 0.000 1.115 414 N HN 0.249 nan 8.380 nan 0.000 0.492 415 V N 2.993 123.055 119.914 0.248 0.000 2.487 415 V HA 0.215 4.323 4.120 -0.020 0.000 0.298 415 V C -0.792 175.208 176.094 -0.156 0.000 1.028 415 V CA -0.512 61.834 62.300 0.078 0.000 0.860 415 V CB 1.510 33.392 31.823 0.099 0.000 0.991 415 V HN 0.674 nan 8.190 nan 0.000 0.427 416 H N 6.161 124.987 119.070 -0.407 0.000 3.177 416 H HA 0.338 4.882 4.556 -0.020 0.000 0.314 416 H C 0.177 175.256 175.328 -0.416 0.000 1.059 416 H CA -0.669 55.067 56.048 -0.520 0.000 1.515 416 H CB 1.744 30.985 29.762 -0.868 0.000 1.672 416 H HN 0.707 nan 8.280 nan 0.000 0.514 417 M N 2.550 121.992 119.600 -0.264 0.000 2.595 417 M HA 0.338 4.806 4.480 -0.020 0.000 0.248 417 M C 1.029 176.699 176.300 -1.050 0.000 1.119 417 M CA 0.783 55.769 55.300 -0.523 0.000 1.079 417 M CB 0.434 32.819 32.600 -0.358 0.000 1.472 417 M HN 0.598 nan 8.290 nan 0.000 0.501 418 G N 0.818 109.142 108.800 -0.794 0.000 2.632 418 G HA2 -0.212 3.737 3.960 -0.020 0.000 0.224 418 G HA3 -0.212 3.737 3.960 -0.020 0.000 0.224 418 G C -0.674 173.954 174.900 -0.454 0.000 1.341 418 G CA -0.530 44.024 45.100 -0.911 0.000 0.880 418 G HN 0.448 nan 8.290 nan 0.000 0.566 419 F N 1.959 121.903 119.950 -0.011 0.000 2.484 419 F HA 0.397 4.912 4.527 -0.020 0.000 0.360 419 F C 1.235 176.999 175.800 -0.059 0.000 1.101 419 F CA 0.605 58.625 58.000 0.032 0.000 1.251 419 F CB 0.683 39.754 39.000 0.117 0.000 1.132 419 F HN 0.711 nan 8.300 nan 0.000 0.570 420 D N 4.463 124.940 120.400 0.128 0.000 2.390 420 D HA 0.124 4.752 4.640 -0.020 0.000 0.249 420 D C -2.051 174.294 176.300 0.074 0.000 1.144 420 D CA -1.505 52.519 54.000 0.041 0.000 0.880 420 D CB 1.207 42.014 40.800 0.011 0.000 1.182 420 D HN 0.135 nan 8.370 nan 0.000 0.451 421 P HA -0.238 nan 4.420 nan 0.000 0.218 421 P C 1.026 178.353 177.300 0.044 0.000 1.152 421 P CA 2.060 65.185 63.100 0.042 0.000 0.857 421 P CB -0.007 31.707 31.700 0.023 0.000 0.787 422 A N -1.649 121.198 122.820 0.044 0.000 2.209 422 A HA -0.083 4.225 4.320 -0.020 0.000 0.212 422 A C 1.661 179.287 177.584 0.069 0.000 1.158 422 A CA 1.293 53.357 52.037 0.046 0.000 0.742 422 A CB -0.866 18.156 19.000 0.037 0.000 0.790 422 A HN 0.141 nan 8.150 nan 0.000 0.472 423 N N -1.362 117.396 118.700 0.097 0.000 2.171 423 N HA 0.303 5.031 4.740 -0.020 0.000 0.212 423 N C 1.295 176.835 175.510 0.051 0.000 1.184 423 N CA 0.691 53.836 53.050 0.158 0.000 0.888 423 N CB 0.338 38.998 38.487 0.289 0.000 1.038 423 N HN 0.312 nan 8.380 nan 0.000 0.517 424 A N 0.260 123.082 122.820 0.003 0.000 1.929 424 A HA -0.077 4.231 4.320 -0.020 0.000 0.216 424 A C 1.629 179.137 177.584 -0.127 0.000 1.176 424 A CA 1.263 53.251 52.037 -0.082 0.000 0.628 424 A CB -0.094 18.898 19.000 -0.012 0.000 0.816 424 A HN 0.075 nan 8.150 nan 0.000 0.444 425 D N 0.279 120.643 120.400 -0.060 0.000 2.084 425 D HA -0.031 4.597 4.640 -0.020 0.000 0.196 425 D C 2.322 178.575 176.300 -0.080 0.000 0.985 425 D CA 1.528 55.496 54.000 -0.055 0.000 0.826 425 D CB -0.547 40.245 40.800 -0.014 0.000 0.978 425 D HN 0.369 nan 8.370 nan 0.000 0.456 426 A N 1.768 124.567 122.820 -0.036 0.000 1.917 426 A HA -0.196 4.113 4.320 -0.020 0.000 0.219 426 A C 2.117 179.552 177.584 -0.249 0.000 1.182 426 A CA 1.589 53.630 52.037 0.007 0.000 0.633 426 A CB -0.822 18.330 19.000 0.253 0.000 0.819 426 A HN 0.296 nan 8.150 nan 0.000 0.448 427 L N 0.059 120.924 121.223 -0.596 0.000 1.997 427 L HA -0.176 4.152 4.340 -0.020 0.000 0.216 427 L C 2.403 178.968 176.870 -0.509 0.000 1.074 427 L CA 2.946 57.225 54.840 -0.934 0.000 0.763 427 L CB -1.698 39.336 42.059 -1.708 0.000 0.890 427 L HN 0.350 nan 8.230 nan 0.000 0.434 428 A N -0.341 122.294 122.820 -0.307 0.000 1.930 428 A HA 0.093 4.401 4.320 -0.020 0.000 0.217 428 A C 2.483 180.000 177.584 -0.111 0.000 1.175 428 A CA 1.957 53.890 52.037 -0.173 0.000 0.627 428 A CB -1.097 17.843 19.000 -0.101 0.000 0.815 428 A HN 0.710 nan 8.150 nan 0.000 0.443 429 A N -0.409 122.351 122.820 -0.100 0.000 1.902 429 A HA -0.040 4.268 4.320 -0.020 0.000 0.217 429 A C 2.126 179.692 177.584 -0.030 0.000 1.181 429 A CA 1.707 53.714 52.037 -0.049 0.000 0.623 429 A CB -0.625 18.359 19.000 -0.027 0.000 0.818 429 A HN 0.626 nan 8.150 nan 0.000 0.443 430 L N -0.841 120.356 121.223 -0.043 0.000 2.046 430 L HA -0.106 4.222 4.340 -0.020 0.000 0.208 430 L C 2.133 179.050 176.870 0.079 0.000 1.077 430 L CA 1.445 56.308 54.840 0.038 0.000 0.747 430 L CB -0.447 41.647 42.059 0.059 0.000 0.896 430 L HN 0.246 nan 8.230 nan 0.000 0.432 431 L N -0.301 120.907 121.223 -0.025 0.000 2.017 431 L HA -0.217 4.111 4.340 -0.020 0.000 0.208 431 L C 2.515 179.418 176.870 0.054 0.000 1.073 431 L CA 1.604 56.449 54.840 0.007 0.000 0.745 431 L CB -1.282 40.732 42.059 -0.075 0.000 0.894 431 L HN 0.319 nan 8.230 nan 0.000 0.432 432 K N -0.622 119.788 120.400 0.017 0.000 2.015 432 K HA -0.252 4.056 4.320 -0.020 0.000 0.216 432 K C 1.966 178.570 176.600 0.006 0.000 1.052 432 K CA 2.404 58.699 56.287 0.013 0.000 0.937 432 K CB -0.452 32.042 32.500 -0.010 0.000 0.719 432 K HN 0.557 nan 8.250 nan 0.000 0.446 433 T N -1.105 113.438 114.554 -0.017 0.000 2.822 433 T HA -0.198 4.140 4.350 -0.020 0.000 0.270 433 T C 1.486 176.077 174.700 -0.182 0.000 1.064 433 T CA 1.344 63.386 62.100 -0.097 0.000 1.131 433 T CB -0.341 68.448 68.868 -0.132 0.000 0.858 433 T HN 0.287 nan 8.240 nan 0.000 0.483 434 H N 0.544 119.629 119.070 0.025 0.000 2.551 434 H HA 0.354 4.898 4.556 -0.020 0.000 0.271 434 H C 1.912 177.263 175.328 0.038 0.000 0.984 434 H CA 0.355 56.431 56.048 0.048 0.000 1.164 434 H CB 0.283 30.074 29.762 0.049 0.000 1.437 434 H HN 0.647 nan 8.280 nan 0.000 0.550 435 G N 1.254 110.113 108.800 0.099 0.000 2.132 435 G HA2 -0.251 3.697 3.960 -0.020 0.000 0.234 435 G HA3 -0.251 3.697 3.960 -0.020 0.000 0.234 435 G C -0.206 174.737 174.900 0.071 0.000 0.989 435 G CA 0.076 45.217 45.100 0.067 0.000 0.676 435 G HN 0.248 nan 8.290 nan 0.000 0.522 436 L N 1.365 122.633 121.223 0.075 0.000 2.296 436 L HA 0.582 4.910 4.340 -0.020 0.000 0.286 436 L C 0.602 177.523 176.870 0.084 0.000 1.023 436 L CA -1.199 53.676 54.840 0.059 0.000 0.812 436 L CB 1.015 43.087 42.059 0.022 0.000 1.223 436 L HN 0.341 nan 8.230 nan 0.000 0.421 437 H N 5.324 124.381 119.070 -0.022 0.000 2.690 437 H HA 0.599 5.142 4.556 -0.020 0.000 0.314 437 H C -1.180 174.123 175.328 -0.042 0.000 1.069 437 H CA -0.650 55.380 56.048 -0.029 0.000 1.436 437 H CB 0.796 30.545 29.762 -0.022 0.000 1.462 437 H HN 0.527 nan 8.280 nan 0.000 0.511 438 V N 2.194 122.174 119.914 0.111 0.000 3.159 438 V HA 0.234 4.342 4.120 -0.020 0.000 0.308 438 V C -0.503 175.641 176.094 0.083 0.000 1.190 438 V CA -1.264 60.998 62.300 -0.065 0.000 1.037 438 V CB 2.002 33.757 31.823 -0.114 0.000 1.060 438 V HN 0.759 nan 8.190 nan 0.000 0.437 439 D N 0.955 121.366 120.400 0.018 0.000 2.198 439 D HA 0.566 5.194 4.640 -0.020 0.000 0.245 439 D C 1.054 177.364 176.300 0.016 0.000 1.079 439 D CA 0.283 54.320 54.000 0.062 0.000 0.854 439 D CB 2.295 43.134 40.800 0.066 0.000 1.148 439 D HN 0.881 nan 8.370 nan 0.000 0.456 440 A N 4.053 126.879 122.820 0.009 0.000 2.131 440 A HA -0.156 4.152 4.320 -0.020 0.000 0.220 440 A C 1.570 179.166 177.584 0.020 0.000 1.158 440 A CA 1.356 53.389 52.037 -0.007 0.000 0.665 440 A CB 0.008 18.988 19.000 -0.032 0.000 0.795 440 A HN 0.644 nan 8.150 nan 0.000 0.460 441 E N -1.615 118.608 120.200 0.038 0.000 2.399 441 E HA -0.018 4.321 4.350 -0.020 0.000 0.205 441 E C 1.770 178.415 176.600 0.076 0.000 0.906 441 E CA 0.571 57.004 56.400 0.056 0.000 0.998 441 E CB 0.012 29.739 29.700 0.045 0.000 1.002 441 E HN 0.841 nan 8.360 nan 0.000 0.501 442 E N 1.320 121.559 120.200 0.065 0.000 2.077 442 E HA -0.119 4.219 4.350 -0.020 0.000 0.193 442 E C 1.992 178.666 176.600 0.123 0.000 0.989 442 E CA 0.850 57.294 56.400 0.073 0.000 0.800 442 E CB 0.086 29.808 29.700 0.036 0.000 0.746 442 E HN -0.045 nan 8.360 nan 0.000 0.452 443 V N 0.746 120.736 119.914 0.127 0.000 3.026 443 V HA -0.160 3.948 4.120 -0.020 0.000 0.265 443 V C 1.797 178.134 176.094 0.405 0.000 1.121 443 V CA 1.238 63.679 62.300 0.235 0.000 1.142 443 V CB -0.239 31.670 31.823 0.145 0.000 0.730 443 V HN 0.347 nan 8.190 nan 0.000 0.503 444 L N -0.653 120.745 121.223 0.291 0.000 2.509 444 L HA 0.108 4.436 4.340 -0.020 0.000 0.222 444 L C 1.321 178.413 176.870 0.370 0.000 1.123 444 L CA 0.479 55.493 54.840 0.290 0.000 0.856 444 L CB -0.196 41.959 42.059 0.160 0.000 0.985 444 L HN 0.228 nan 8.230 nan 0.000 0.456 445 T N -0.512 114.230 114.554 0.314 0.000 2.882 445 T HA 0.184 4.523 4.350 -0.020 0.000 0.287 445 T C 1.318 176.114 174.700 0.159 0.000 0.992 445 T CA -0.414 61.833 62.100 0.246 0.000 1.076 445 T CB 1.169 70.110 68.868 0.122 0.000 0.961 445 T HN 0.048 nan 8.240 nan 0.000 0.490 446 L N 2.748 123.864 121.223 -0.180 0.000 2.021 446 L HA -0.158 4.170 4.340 -0.020 0.000 0.215 446 L C 2.338 179.078 176.870 -0.217 0.000 1.074 446 L CA 1.950 56.394 54.840 -0.661 0.000 0.760 446 L CB -0.293 41.431 42.059 -0.558 0.000 0.889 446 L HN 0.805 nan 8.230 nan 0.000 0.433 447 D N -0.653 119.694 120.400 -0.087 0.000 2.097 447 D HA -0.144 4.484 4.640 -0.020 0.000 0.195 447 D C 1.921 178.219 176.300 -0.002 0.000 0.989 447 D CA 1.514 55.489 54.000 -0.043 0.000 0.827 447 D CB 0.036 40.820 40.800 -0.026 0.000 0.966 447 D HN 0.434 nan 8.370 nan 0.000 0.456 448 G N -0.355 108.475 108.800 0.050 0.000 2.403 448 G HA2 -0.245 3.703 3.960 -0.020 0.000 0.216 448 G HA3 -0.245 3.703 3.960 -0.020 0.000 0.216 448 G C 1.562 176.529 174.900 0.111 0.000 1.154 448 G CA 0.215 45.353 45.100 0.063 0.000 0.784 448 G HN 0.287 nan 8.290 nan 0.000 0.538 449 F N 1.299 121.287 119.950 0.063 0.000 2.126 449 F HA -0.174 4.341 4.527 -0.020 0.000 0.299 449 F C 2.662 178.470 175.800 0.013 0.000 1.096 449 F CA 1.632 59.701 58.000 0.116 0.000 1.255 449 F CB -0.300 38.813 39.000 0.189 0.000 0.997 449 F HN 0.193 nan 8.300 nan 0.000 0.479 450 C N 0.468 119.835 119.300 0.112 0.000 2.440 450 C HA -0.130 4.318 4.460 -0.020 0.000 0.278 450 C C 2.624 177.553 174.990 -0.102 0.000 1.295 450 C CA 1.152 60.161 59.018 -0.013 0.000 1.738 450 C CB -1.126 26.595 27.740 -0.031 0.000 1.987 450 C HN 0.441 nan 8.230 nan 0.000 0.492 451 K N 0.192 120.539 120.400 -0.089 0.000 2.057 451 K HA -0.083 4.225 4.320 -0.020 0.000 0.206 451 K C 1.642 178.168 176.600 -0.122 0.000 1.050 451 K CA 0.579 56.802 56.287 -0.107 0.000 0.935 451 K CB 0.034 32.478 32.500 -0.093 0.000 0.715 451 K HN -0.006 nan 8.250 nan 0.000 0.439 452 L N 1.571 122.713 121.223 -0.134 0.000 1.989 452 L HA -0.144 4.184 4.340 -0.020 0.000 0.211 452 L C 1.561 178.330 176.870 -0.168 0.000 1.071 452 L CA 0.962 55.713 54.840 -0.149 0.000 0.749 452 L CB -0.252 41.720 42.059 -0.145 0.000 0.890 452 L HN -0.088 nan 8.230 nan 0.000 0.431 453 R N 0.040 120.389 120.500 -0.252 0.000 2.096 453 R HA -0.185 4.143 4.340 -0.020 0.000 0.240 453 R C 2.443 178.677 176.300 -0.109 0.000 1.139 453 R CA 1.335 57.310 56.100 -0.209 0.000 0.952 453 R CB -0.227 29.915 30.300 -0.263 0.000 0.854 453 R HN 0.269 nan 8.270 nan 0.000 0.436 454 R N -0.254 120.178 120.500 -0.113 0.000 2.083 454 R HA -0.155 4.173 4.340 -0.020 0.000 0.237 454 R C 2.509 178.768 176.300 -0.069 0.000 1.137 454 R CA 1.168 57.211 56.100 -0.095 0.000 0.951 454 R CB -0.084 30.139 30.300 -0.128 0.000 0.851 454 R HN 0.470 nan 8.270 nan 0.000 0.434 455 E N 0.319 120.474 120.200 -0.074 0.000 2.216 455 E HA -0.121 4.217 4.350 -0.020 0.000 0.192 455 E C 1.758 178.335 176.600 -0.039 0.000 0.988 455 E CA 0.551 56.919 56.400 -0.053 0.000 0.834 455 E CB -0.055 29.609 29.700 -0.060 0.000 0.772 455 E HN 0.141 nan 8.360 nan 0.000 0.479 456 L N 1.543 122.737 121.223 -0.048 0.000 2.093 456 L HA -0.134 4.195 4.340 -0.020 0.000 0.208 456 L C 0.973 177.838 176.870 -0.009 0.000 1.085 456 L CA 1.435 56.256 54.840 -0.032 0.000 0.755 456 L CB 0.056 42.087 42.059 -0.045 0.000 0.904 456 L HN 0.068 nan 8.230 nan 0.000 0.435 457 D N -1.683 118.711 120.400 -0.009 0.000 2.355 457 D HA -0.104 nan 4.640 nan 0.000 0.218 457 D C 1.669 177.972 176.300 0.005 0.000 1.004 457 D CA 0.313 54.318 54.000 0.009 0.000 0.880 457 D CB 0.219 41.027 40.800 0.014 0.000 0.911 457 D HN -0.026 8.169 8.370 -0.020 0.164 0.528 458 A N 0.336 123.155 122.820 -0.002 0.000 2.169 458 A HA -0.065 4.244 4.320 -0.020 0.000 0.212 458 A C 1.062 178.650 177.584 0.008 0.000 1.153 458 A CA 0.303 52.342 52.037 0.002 0.000 0.756 458 A CB -0.628 18.369 19.000 -0.004 0.000 0.813 458 A HN -0.025 nan 8.150 nan 0.000 0.471 459 Q N 0.585 120.391 119.800 0.010 0.000 2.398 459 Q HA -0.048 4.280 4.340 -0.020 0.000 0.329 459 Q C -1.588 174.428 176.000 0.027 0.000 1.079 459 Q CA -0.276 55.540 55.803 0.022 0.000 1.041 459 Q CB -0.096 28.660 28.738 0.030 0.000 1.084 459 Q HN 0.336 nan 8.270 nan 0.000 0.386 460 P HA -0.109 nan 4.420 nan 0.000 0.220 460 P C 0.564 177.886 177.300 0.036 0.000 1.148 460 P CA 1.372 64.488 63.100 0.027 0.000 0.803 460 P CB 0.306 32.021 31.700 0.025 0.000 0.782 461 T N -5.326 109.260 114.554 0.053 0.000 2.838 461 T HA 0.606 4.944 4.350 -0.020 0.000 0.292 461 T C 1.019 175.771 174.700 0.088 0.000 1.113 461 T CA -0.202 61.940 62.100 0.071 0.000 1.008 461 T CB 1.409 70.329 68.868 0.086 0.000 1.259 461 T HN -0.097 nan 8.240 nan 0.000 0.520 462 G N -0.371 108.490 108.800 0.102 0.000 2.985 462 G HA2 0.122 4.070 3.960 -0.020 0.000 0.209 462 G HA3 0.122 4.070 3.960 -0.020 0.000 0.209 462 G C 0.937 175.901 174.900 0.106 0.000 1.165 462 G CA -0.084 45.070 45.100 0.091 0.000 0.776 462 G HN 0.680 nan 8.290 nan 0.000 0.541 463 F N 1.084 121.037 119.950 0.005 0.000 2.048 463 F HA -0.286 4.228 4.527 -0.022 0.000 0.296 463 F C 2.218 177.978 175.800 -0.067 0.000 1.109 463 F CA 2.079 60.070 58.000 -0.015 0.000 1.214 463 F CB -0.105 38.894 39.000 -0.001 0.000 0.963 463 F HN 0.196 nan 8.300 nan 0.000 0.491 464 L N 0.523 121.617 121.223 -0.216 0.000 2.044 464 L HA -0.096 4.232 4.340 -0.020 0.000 0.205 464 L C 1.960 178.671 176.870 -0.265 0.000 1.075 464 L CA 2.123 56.743 54.840 -0.367 0.000 0.747 464 L CB -1.403 40.562 42.059 -0.156 0.000 0.903 464 L HN 0.218 nan 8.230 nan 0.000 0.435 465 D N -0.514 119.813 120.400 -0.122 0.000 2.723 465 D HA -0.381 4.247 4.640 -0.020 0.000 0.208 465 D C 2.422 178.689 176.300 -0.055 0.000 1.050 465 D CA 2.414 56.382 54.000 -0.054 0.000 0.893 465 D CB -0.547 40.260 40.800 0.012 0.000 1.062 465 D HN 0.508 nan 8.370 nan 0.000 0.478 466 S N -0.738 114.911 115.700 -0.085 0.000 2.400 466 S HA -0.301 4.157 4.470 -0.020 0.000 0.234 466 S C 2.044 176.550 174.600 -0.158 0.000 1.049 466 S CA 1.777 59.919 58.200 -0.097 0.000 1.039 466 S CB -0.289 62.854 63.200 -0.095 0.000 0.856 466 S HN 0.148 nan 8.310 nan 0.000 0.465 467 R N 1.478 121.786 120.500 -0.321 0.000 2.148 467 R HA 0.181 4.510 4.340 -0.020 0.000 0.227 467 R C 2.030 178.325 176.300 -0.008 0.000 1.103 467 R CA 1.264 57.200 56.100 -0.274 0.000 0.983 467 R CB -0.986 29.003 30.300 -0.518 0.000 0.874 467 R HN 0.899 nan 8.270 nan 0.000 0.451 468 I N -2.516 118.085 120.570 0.050 0.000 3.914 468 I HA 0.222 4.380 4.170 -0.020 0.000 0.333 468 I C 1.163 177.461 176.117 0.302 0.000 1.449 468 I CA -0.179 61.298 61.300 0.295 0.000 1.135 468 I CB 0.318 38.398 38.000 0.132 0.000 1.073 468 I HN -0.193 nan 8.210 nan 0.000 0.401 469 R N 2.603 123.194 120.500 0.152 0.000 2.096 469 R HA -0.184 4.144 4.340 -0.020 0.000 0.240 469 R C 2.230 178.594 176.300 0.107 0.000 1.139 469 R CA 2.236 58.420 56.100 0.140 0.000 0.952 469 R CB -0.606 29.755 30.300 0.102 0.000 0.854 469 R HN 0.607 nan 8.270 nan 0.000 0.436 470 R N 0.007 120.507 120.500 -0.000 0.000 2.211 470 R HA -0.133 4.195 4.340 -0.020 0.000 0.240 470 R C 1.256 177.379 176.300 -0.295 0.000 1.144 470 R CA 1.668 57.653 56.100 -0.191 0.000 0.992 470 R CB -0.474 29.608 30.300 -0.363 0.000 0.869 470 R HN 0.212 nan 8.270 nan 0.000 0.462 471 F N 0.826 120.819 119.950 0.072 0.000 2.749 471 F HA 0.225 4.741 4.527 -0.019 0.000 0.300 471 F C 0.754 176.701 175.800 0.244 0.000 1.103 471 F CA -0.384 57.693 58.000 0.128 0.000 1.342 471 F CB 0.227 39.269 39.000 0.069 0.000 1.098 471 F HN -0.124 nan 8.300 nan 0.000 0.586 472 Q N 1.738 121.702 119.800 0.273 0.000 2.296 472 Q HA 0.140 4.468 4.340 -0.020 0.000 0.262 472 Q C 0.493 176.269 176.000 -0.373 0.000 0.981 472 Q CA -0.102 55.742 55.803 0.068 0.000 0.905 472 Q CB 1.304 30.082 28.738 0.067 0.000 1.186 472 Q HN 0.291 nan 8.270 nan 0.000 0.399 473 S N 1.834 117.279 115.700 -0.426 0.000 2.593 473 S HA 0.463 4.921 4.470 -0.020 0.000 0.269 473 S C -0.234 173.787 174.600 -0.965 0.000 1.334 473 S CA -0.435 57.303 58.200 -0.770 0.000 1.015 473 S CB 0.363 63.228 63.200 -0.557 0.000 0.912 473 S HN 0.302 nan 8.310 nan 0.000 0.541 474 F N 0.347 120.090 119.950 -0.345 0.000 2.450 474 F HA 0.636 5.151 4.527 -0.021 0.000 0.332 474 F C 0.950 176.510 175.800 -0.400 0.000 1.093 474 F CA -1.085 56.746 58.000 -0.282 0.000 1.003 474 F CB 0.638 39.566 39.000 -0.120 0.000 1.151 474 F HN 0.876 nan 8.300 nan 0.000 0.474 475 A N 2.458 125.247 122.820 -0.050 0.000 2.589 475 A HA -0.023 4.285 4.320 -0.020 0.000 0.259 475 A C 0.267 177.879 177.584 0.046 0.000 1.000 475 A CA 0.367 52.417 52.037 0.022 0.000 0.847 475 A CB -0.766 18.352 19.000 0.197 0.000 0.885 475 A HN 0.814 nan 8.150 nan 0.000 0.508 476 E N 1.141 121.347 120.200 0.010 0.000 2.232 476 E HA 0.567 4.905 4.350 -0.020 0.000 0.265 476 E C -0.685 175.989 176.600 0.124 0.000 1.001 476 E CA -0.705 55.729 56.400 0.057 0.000 0.870 476 E CB 1.383 31.097 29.700 0.023 0.000 1.175 476 E HN 0.649 nan 8.360 nan 0.000 0.407 477 I N 1.201 121.848 120.570 0.129 0.000 2.328 477 I HA 0.250 4.408 4.170 -0.020 0.000 0.287 477 I C -0.051 176.149 176.117 0.138 0.000 1.012 477 I CA -0.248 61.147 61.300 0.158 0.000 1.195 477 I CB 1.367 39.477 38.000 0.185 0.000 1.350 477 I HN 0.158 nan 8.210 nan 0.000 0.464 478 S N 2.453 118.254 115.700 0.168 0.000 2.568 478 S HA 0.410 4.868 4.470 -0.020 0.000 0.293 478 S C 0.935 175.653 174.600 0.196 0.000 1.089 478 S CA -0.435 57.851 58.200 0.144 0.000 0.945 478 S CB 1.630 64.894 63.200 0.107 0.000 1.077 478 S HN 0.769 nan 8.310 nan 0.000 0.485 479 T N -0.243 114.402 114.554 0.151 0.000 3.113 479 T HA 0.181 4.519 4.350 -0.020 0.000 0.256 479 T C 0.381 175.197 174.700 0.195 0.000 1.131 479 T CA 0.247 62.465 62.100 0.196 0.000 1.074 479 T CB -0.125 68.806 68.868 0.105 0.000 0.944 479 T HN 0.438 nan 8.240 nan 0.000 0.516 480 E N 2.808 123.054 120.200 0.077 0.000 2.174 480 E HA 0.414 4.752 4.350 -0.020 0.000 0.282 480 E C -2.780 173.642 176.600 -0.298 0.000 0.992 480 E CA -2.996 53.378 56.400 -0.043 0.000 0.803 480 E CB 0.908 30.593 29.700 -0.026 0.000 1.090 480 E HN 0.110 nan 8.360 nan 0.000 0.396 481 P HA 0.248 nan 4.420 nan 0.000 0.266 481 P C -0.643 176.429 177.300 -0.381 0.000 1.193 481 P CA 0.112 62.614 63.100 -0.996 0.000 0.770 481 P CB 0.821 32.124 31.700 -0.660 0.000 0.836 482 G N 1.743 110.404 108.800 -0.231 0.000 2.519 482 G HA2 0.469 4.417 3.960 -0.020 0.000 0.292 482 G HA3 0.469 4.417 3.960 -0.020 0.000 0.292 482 G C -3.359 171.599 174.900 0.096 0.000 1.507 482 G CA -0.952 44.130 45.100 -0.030 0.000 0.806 482 G HN 0.231 nan 8.290 nan 0.000 0.523 483 P HA 0.200 nan 4.420 nan 0.000 0.274 483 P C -1.029 176.437 177.300 0.276 0.000 1.237 483 P CA -0.161 63.074 63.100 0.226 0.000 0.793 483 P CB 0.963 32.854 31.700 0.319 0.000 0.977 484 H N 2.277 121.453 119.070 0.176 0.000 2.725 484 H HA 0.234 4.778 4.556 -0.020 0.000 0.283 484 H C 0.347 175.659 175.328 -0.026 0.000 1.110 484 H CA -0.533 55.590 56.048 0.124 0.000 1.289 484 H CB 0.048 29.867 29.762 0.095 0.000 1.400 484 H HN 0.186 nan 8.280 nan 0.000 0.493 485 F N 2.659 122.404 119.950 -0.342 0.000 2.186 485 F HA -0.058 4.457 4.527 -0.020 0.000 0.299 485 F C 2.555 177.964 175.800 -0.652 0.000 1.090 485 F CA 1.483 59.046 58.000 -0.728 0.000 1.307 485 F CB -0.586 37.622 39.000 -1.320 0.000 1.019 485 F HN 0.651 nan 8.300 nan 0.000 0.489 486 G N -0.078 108.400 108.800 -0.535 0.000 2.469 486 G HA2 -0.238 3.710 3.960 -0.020 0.000 0.219 486 G HA3 -0.238 3.710 3.960 -0.020 0.000 0.219 486 G C 1.671 176.549 174.900 -0.036 0.000 1.150 486 G CA 0.913 45.895 45.100 -0.196 0.000 0.763 486 G HN 0.369 nan 8.290 nan 0.000 0.561 487 L N 0.259 121.444 121.223 -0.064 0.000 2.558 487 L HA 0.270 4.599 4.340 -0.020 0.000 0.225 487 L C 1.933 178.764 176.870 -0.065 0.000 1.128 487 L CA 0.391 55.108 54.840 -0.205 0.000 0.868 487 L CB 0.048 41.786 42.059 -0.535 0.000 1.006 487 L HN 0.386 nan 8.230 nan 0.000 0.454 488 G N 1.013 109.796 108.800 -0.028 0.000 2.198 488 G HA2 -0.265 3.683 3.960 -0.020 0.000 0.257 488 G HA3 -0.265 3.683 3.960 -0.020 0.000 0.257 488 G C -0.158 174.732 174.900 -0.016 0.000 1.042 488 G CA -0.016 45.062 45.100 -0.037 0.000 0.791 488 G HN 0.227 nan 8.290 nan 0.000 0.502 489 L N -1.098 120.129 121.223 0.007 0.000 2.381 489 L HA 0.519 4.847 4.340 -0.020 0.000 0.268 489 L C 1.364 178.297 176.870 0.106 0.000 0.997 489 L CA -0.776 54.121 54.840 0.096 0.000 0.818 489 L CB 1.747 43.872 42.059 0.111 0.000 1.310 489 L HN 0.206 nan 8.230 nan 0.000 0.416 490 E N 2.347 122.622 120.200 0.124 0.000 2.150 490 E HA 0.040 4.378 4.350 -0.020 0.000 0.193 490 E C 0.106 176.808 176.600 0.170 0.000 0.985 490 E CA 1.217 57.687 56.400 0.117 0.000 0.814 490 E CB 0.413 30.177 29.700 0.106 0.000 0.752 490 E HN 0.641 nan 8.360 nan 0.000 0.466 491 A N -1.404 121.555 122.820 0.232 0.000 2.599 491 A HA 0.653 4.961 4.320 -0.020 0.000 0.290 491 A C -1.793 176.063 177.584 0.454 0.000 1.101 491 A CA -0.423 51.810 52.037 0.326 0.000 0.674 491 A CB 0.954 20.132 19.000 0.297 0.000 1.277 491 A HN 0.184 nan 8.150 nan 0.000 0.419 492 Y N -0.869 119.633 120.300 0.338 0.000 2.125 492 Y HA 0.484 5.022 4.550 -0.020 0.000 0.312 492 Y C -0.570 175.442 175.900 0.187 0.000 1.227 492 Y CA 0.547 58.795 58.100 0.247 0.000 1.527 492 Y CB 0.907 39.471 38.460 0.173 0.000 1.308 492 Y HN 1.631 nan 8.280 nan 0.000 0.375 493 A N 2.699 125.262 122.820 -0.428 0.000 2.488 493 A HA 0.770 5.078 4.320 -0.020 0.000 0.298 493 A C -0.654 176.686 177.584 -0.407 0.000 1.044 493 A CA -0.302 51.469 52.037 -0.443 0.000 0.693 493 A CB 1.191 19.704 19.000 -0.812 0.000 1.272 493 A HN 0.662 nan 8.150 nan 0.000 0.402 494 T N -0.174 114.255 114.554 -0.209 0.000 2.824 494 T HA 0.625 4.963 4.350 -0.020 0.000 0.280 494 T C 0.158 174.934 174.700 0.126 0.000 0.995 494 T CA -0.313 61.741 62.100 -0.078 0.000 1.009 494 T CB 0.968 69.817 68.868 -0.032 0.000 0.955 494 T HN 1.510 nan 8.240 nan 0.000 0.452 495 W N 2.161 123.443 121.300 -0.031 0.000 2.055 495 W HA 0.187 4.835 4.660 -0.020 0.000 0.293 495 W C 0.407 177.037 176.519 0.184 0.000 0.886 495 W CA 0.077 57.486 57.345 0.106 0.000 1.384 495 W CB -1.055 28.457 29.460 0.087 0.000 1.068 495 W HN 0.758 nan 8.180 nan 0.000 0.513 496 T N -0.496 113.812 114.554 -0.411 0.000 3.081 496 T HA 0.128 4.466 4.350 -0.020 0.000 0.250 496 T C 0.803 175.381 174.700 -0.203 0.000 1.100 496 T CA 0.873 62.675 62.100 -0.497 0.000 1.038 496 T CB -0.346 68.232 68.868 -0.483 0.000 0.962 496 T HN 0.101 nan 8.240 nan 0.000 0.516 497 S N 0.931 116.571 115.700 -0.101 0.000 2.317 497 S HA 0.400 4.858 4.470 -0.020 0.000 0.144 497 S C -2.264 172.305 174.600 -0.051 0.000 1.660 497 S CA -1.036 57.134 58.200 -0.051 0.000 1.273 497 S CB 1.615 64.816 63.200 0.001 0.000 1.330 497 S HN 0.085 nan 8.310 nan 0.000 0.395 498 P HA 0.111 nan 4.420 nan 0.000 0.229 498 P C 1.203 178.430 177.300 -0.121 0.000 1.160 498 P CA 0.350 63.318 63.100 -0.220 0.000 0.777 498 P CB 0.043 31.391 31.700 -0.587 0.000 0.814 499 I N -0.546 119.981 120.570 -0.071 0.000 2.761 499 I HA -0.023 4.136 4.170 -0.020 0.000 0.261 499 I C 2.639 178.757 176.117 0.002 0.000 1.198 499 I CA 0.658 61.938 61.300 -0.033 0.000 1.482 499 I CB -0.162 37.820 38.000 -0.029 0.000 1.100 499 I HN -0.142 nan 8.210 nan 0.000 0.445 500 R N 1.160 121.683 120.500 0.038 0.000 2.373 500 R HA 0.179 4.507 4.340 -0.020 0.000 0.221 500 R C -0.218 176.160 176.300 0.131 0.000 0.893 500 R CA 0.296 56.462 56.100 0.111 0.000 1.049 500 R CB 0.607 31.029 30.300 0.204 0.000 1.119 500 R HN 0.118 nan 8.270 nan 0.000 0.535 501 K N 0.256 120.686 120.400 0.050 0.000 2.541 501 K HA 0.103 4.411 4.320 -0.020 0.000 0.250 501 K C -0.752 175.791 176.600 -0.094 0.000 0.950 501 K CA -0.469 55.801 56.287 -0.030 0.000 0.805 501 K CB 1.748 34.284 32.500 0.060 0.000 1.166 501 K HN -0.173 nan 8.250 nan 0.000 0.430 502 Y N 2.685 122.805 120.300 -0.300 0.000 2.181 502 Y HA -0.180 4.358 4.550 -0.020 0.000 0.288 502 Y C 1.976 177.785 175.900 -0.152 0.000 1.146 502 Y CA 2.534 60.507 58.100 -0.212 0.000 1.164 502 Y CB -0.322 38.001 38.460 -0.228 0.000 0.982 502 Y HN 0.935 nan 8.280 nan 0.000 0.515 503 G N -0.223 108.454 108.800 -0.205 0.000 2.505 503 G HA2 -0.341 3.607 3.960 -0.020 0.000 0.220 503 G HA3 -0.341 3.607 3.960 -0.020 0.000 0.220 503 G C 1.218 176.037 174.900 -0.136 0.000 1.145 503 G CA 1.460 46.467 45.100 -0.156 0.000 0.761 503 G HN 0.423 nan 8.290 nan 0.000 0.571 504 D N -0.096 120.246 120.400 -0.096 0.000 2.183 504 D HA 0.014 4.642 4.640 -0.020 0.000 0.203 504 D C 2.588 178.844 176.300 -0.074 0.000 0.969 504 D CA 0.541 54.530 54.000 -0.018 0.000 0.842 504 D CB -0.173 40.620 40.800 -0.013 0.000 0.957 504 D HN 0.316 nan 8.370 nan 0.000 0.484 505 M N -0.268 119.195 119.600 -0.228 0.000 2.132 505 M HA -0.066 4.402 4.480 -0.020 0.000 0.263 505 M C 2.000 178.185 176.300 -0.191 0.000 1.065 505 M CA 1.007 56.158 55.300 -0.248 0.000 1.122 505 M CB -0.093 32.327 32.600 -0.301 0.000 1.365 505 M HN 0.026 nan 8.290 nan 0.000 0.411 506 I N 0.433 120.805 120.570 -0.330 0.000 2.142 506 I HA -0.330 3.828 4.170 -0.020 0.000 0.240 506 I C 2.067 178.133 176.117 -0.084 0.000 1.078 506 I CA 1.142 62.300 61.300 -0.237 0.000 1.343 506 I CB -0.639 37.206 38.000 -0.258 0.000 1.046 506 I HN 0.325 nan 8.210 nan 0.000 0.405 507 N N 0.091 118.759 118.700 -0.054 0.000 2.137 507 N HA -0.224 4.504 4.740 -0.020 0.000 0.190 507 N C 1.766 177.262 175.510 -0.023 0.000 1.017 507 N CA 1.323 54.346 53.050 -0.044 0.000 0.859 507 N CB -0.581 37.894 38.487 -0.019 0.000 1.002 507 N HN 0.509 nan 8.380 nan 0.000 0.428 508 H N 0.441 119.471 119.070 -0.066 0.000 2.353 508 H HA 0.020 4.564 4.556 -0.020 0.000 0.300 508 H C 1.870 177.147 175.328 -0.085 0.000 1.090 508 H CA 1.051 57.075 56.048 -0.039 0.000 1.327 508 H CB 0.339 30.120 29.762 0.032 0.000 1.383 508 H HN 0.236 nan 8.280 nan 0.000 0.508 509 R N 0.233 120.753 120.500 0.034 0.000 2.093 509 R HA -0.030 4.298 4.340 -0.020 0.000 0.224 509 R C 2.561 178.831 176.300 -0.050 0.000 1.101 509 R CA 0.459 56.553 56.100 -0.010 0.000 0.979 509 R CB -0.060 30.236 30.300 -0.006 0.000 0.877 509 R HN 0.246 nan 8.270 nan 0.000 0.441 510 L N 0.709 121.893 121.223 -0.065 0.000 1.994 510 L HA -0.187 4.141 4.340 -0.020 0.000 0.208 510 L C 2.408 179.158 176.870 -0.201 0.000 1.071 510 L CA 1.310 56.093 54.840 -0.094 0.000 0.745 510 L CB -0.523 41.490 42.059 -0.076 0.000 0.892 510 L HN 0.170 nan 8.230 nan 0.000 0.431 511 L N -0.303 120.738 121.223 -0.304 0.000 2.127 511 L HA -0.244 4.084 4.340 -0.020 0.000 0.211 511 L C 2.620 179.307 176.870 -0.305 0.000 1.089 511 L CA 1.363 55.926 54.840 -0.461 0.000 0.757 511 L CB -0.388 41.227 42.059 -0.740 0.000 0.899 511 L HN 0.238 nan 8.230 nan 0.000 0.434 512 K N -0.497 119.784 120.400 -0.199 0.000 2.103 512 K HA -0.071 4.237 4.320 -0.020 0.000 0.204 512 K C 2.248 178.794 176.600 -0.091 0.000 1.052 512 K CA 1.015 57.231 56.287 -0.119 0.000 0.945 512 K CB -0.123 32.332 32.500 -0.074 0.000 0.722 512 K HN 0.278 nan 8.250 nan 0.000 0.443 513 A N 1.033 123.799 122.820 -0.090 0.000 1.858 513 A HA -0.143 4.165 4.320 -0.020 0.000 0.216 513 A C 2.320 179.852 177.584 -0.087 0.000 1.190 513 A CA 1.526 53.522 52.037 -0.069 0.000 0.617 513 A CB -0.792 18.178 19.000 -0.051 0.000 0.827 513 A HN 0.057 nan 8.150 nan 0.000 0.443 514 V N 0.381 120.214 119.914 -0.135 0.000 2.252 514 V HA -0.332 3.776 4.120 -0.020 0.000 0.249 514 V C 2.444 178.482 176.094 -0.093 0.000 1.056 514 V CA 2.258 64.474 62.300 -0.139 0.000 1.022 514 V CB -0.827 30.866 31.823 -0.215 0.000 0.641 514 V HN 0.586 nan 8.190 nan 0.000 0.445 515 I N -0.466 120.051 120.570 -0.088 0.000 2.194 515 I HA -0.310 3.848 4.170 -0.020 0.000 0.246 515 I C 2.412 178.518 176.117 -0.018 0.000 1.093 515 I CA 1.819 63.102 61.300 -0.029 0.000 1.355 515 I CB -0.395 37.596 38.000 -0.014 0.000 1.046 515 I HN 0.279 nan 8.210 nan 0.000 0.413 516 K N 0.396 120.777 120.400 -0.030 0.000 2.459 516 K HA 0.102 4.410 4.320 -0.020 0.000 0.193 516 K C 1.205 177.791 176.600 -0.023 0.000 1.030 516 K CA 0.670 56.944 56.287 -0.022 0.000 1.026 516 K CB 0.209 32.694 32.500 -0.024 0.000 0.809 516 K HN 0.489 nan 8.250 nan 0.000 0.504 517 G N 2.295 111.076 108.800 -0.031 0.000 2.160 517 G HA2 -0.281 3.667 3.960 -0.020 0.000 0.251 517 G HA3 -0.281 3.667 3.960 -0.020 0.000 0.251 517 G C -0.326 174.558 174.900 -0.026 0.000 1.008 517 G CA 0.172 45.254 45.100 -0.029 0.000 0.724 517 G HN 0.377 nan 8.290 nan 0.000 0.514 518 E N 0.572 120.755 120.200 -0.028 0.000 2.371 518 E HA 0.467 4.805 4.350 -0.020 0.000 0.257 518 E C 1.111 177.703 176.600 -0.015 0.000 1.134 518 E CA 0.227 56.616 56.400 -0.018 0.000 0.919 518 E CB 0.525 30.215 29.700 -0.016 0.000 1.025 518 E HN 0.409 nan 8.360 nan 0.000 0.438 519 T N -1.375 113.181 114.554 0.003 0.000 2.882 519 T HA 0.613 4.951 4.350 -0.020 0.000 0.287 519 T C -0.237 174.493 174.700 0.049 0.000 1.014 519 T CA -0.962 61.153 62.100 0.025 0.000 1.049 519 T CB 1.379 70.267 68.868 0.033 0.000 1.001 519 T HN 0.482 nan 8.240 nan 0.000 0.525 520 A N 1.298 124.186 122.820 0.113 0.000 2.515 520 A HA 0.685 4.993 4.320 -0.020 0.000 0.298 520 A C 0.011 177.758 177.584 0.272 0.000 1.059 520 A CA -1.016 51.129 52.037 0.180 0.000 0.698 520 A CB 1.335 20.449 19.000 0.191 0.000 1.289 520 A HN 0.835 nan 8.150 nan 0.000 0.404 521 T N 1.819 116.452 114.554 0.132 0.000 2.817 521 T HA 0.361 4.700 4.350 -0.020 0.000 0.293 521 T C 0.478 175.040 174.700 -0.231 0.000 0.964 521 T CA -0.260 61.826 62.100 -0.023 0.000 1.085 521 T CB 0.548 69.398 68.868 -0.030 0.000 0.921 521 T HN 0.643 nan 8.240 nan 0.000 0.502 522 R N 3.305 123.405 120.500 -0.666 0.000 2.442 522 R HA 0.186 4.514 4.340 -0.020 0.000 0.291 522 R C -2.418 173.649 176.300 -0.389 0.000 1.069 522 R CA -1.348 54.115 56.100 -1.062 0.000 1.022 522 R CB -0.005 29.609 30.300 -1.143 0.000 0.976 522 R HN 0.333 nan 8.270 nan 0.000 0.443 523 P HA -0.035 nan 4.420 nan 0.000 0.269 523 P C -0.854 176.400 177.300 -0.076 0.000 1.209 523 P CA 0.047 63.099 63.100 -0.080 0.000 0.776 523 P CB 0.541 32.237 31.700 -0.006 0.000 0.876 524 Q N 1.779 121.558 119.800 -0.036 0.000 2.394 524 Q HA 0.044 4.372 4.340 -0.020 0.000 0.248 524 Q C 0.493 176.491 176.000 -0.004 0.000 0.992 524 Q CA -0.045 55.742 55.803 -0.027 0.000 0.888 524 Q CB 0.509 29.239 28.738 -0.012 0.000 1.257 524 Q HN 0.416 nan 8.270 nan 0.000 0.462 525 D N 1.415 121.813 120.400 -0.003 0.000 2.219 525 D HA -0.172 4.456 4.640 -0.020 0.000 0.205 525 D C 1.697 178.012 176.300 0.025 0.000 0.970 525 D CA 1.125 55.133 54.000 0.014 0.000 0.851 525 D CB 0.126 40.932 40.800 0.010 0.000 0.943 525 D HN 0.671 nan 8.370 nan 0.000 0.488 526 E N 1.173 121.385 120.200 0.019 0.000 2.160 526 E HA -0.185 4.153 4.350 -0.020 0.000 0.195 526 E C 2.276 178.896 176.600 0.033 0.000 0.991 526 E CA 0.529 56.943 56.400 0.023 0.000 0.810 526 E CB -0.592 29.116 29.700 0.015 0.000 0.742 526 E HN 0.297 nan 8.360 nan 0.000 0.466 527 I N 2.296 122.889 120.570 0.039 0.000 2.091 527 I HA -0.358 3.800 4.170 -0.020 0.000 0.240 527 I C 2.867 179.030 176.117 0.076 0.000 1.046 527 I CA 2.613 63.951 61.300 0.062 0.000 1.306 527 I CB -0.607 37.441 38.000 0.080 0.000 1.018 527 I HN 0.366 nan 8.210 nan 0.000 0.404 528 T N -2.411 112.188 114.554 0.075 0.000 2.985 528 T HA -0.009 4.329 4.350 -0.020 0.000 0.266 528 T C 1.759 176.513 174.700 0.090 0.000 1.076 528 T CA 0.697 62.853 62.100 0.093 0.000 1.135 528 T CB -0.566 68.360 68.868 0.096 0.000 0.890 528 T HN 0.138 nan 8.240 nan 0.000 0.480 529 V N 2.927 122.881 119.914 0.068 0.000 2.295 529 V HA -0.244 3.864 4.120 -0.020 0.000 0.246 529 V C 3.045 179.178 176.094 0.065 0.000 1.049 529 V CA 2.330 64.666 62.300 0.060 0.000 1.024 529 V CB -0.866 30.983 31.823 0.042 0.000 0.648 529 V HN 0.724 nan 8.190 nan 0.000 0.447 530 Q N -0.468 119.366 119.800 0.058 0.000 2.119 530 Q HA -0.228 4.100 4.340 -0.020 0.000 0.201 530 Q C 2.249 178.299 176.000 0.083 0.000 0.972 530 Q CA 2.066 57.900 55.803 0.052 0.000 0.847 530 Q CB -0.373 28.379 28.738 0.022 0.000 0.903 530 Q HN 0.589 nan 8.270 nan 0.000 0.433 531 M N 0.717 120.378 119.600 0.101 0.000 2.080 531 M HA -0.172 4.296 4.480 -0.020 0.000 0.260 531 M C 2.227 178.707 176.300 0.300 0.000 1.068 531 M CA 2.051 57.452 55.300 0.168 0.000 1.109 531 M CB -0.219 32.459 32.600 0.130 0.000 1.342 531 M HN 0.461 nan 8.290 nan 0.000 0.405 532 A N -0.566 122.372 122.820 0.197 0.000 1.972 532 A HA -0.210 4.098 4.320 -0.020 0.000 0.219 532 A C 1.812 179.461 177.584 0.108 0.000 1.169 532 A CA 2.042 54.171 52.037 0.154 0.000 0.635 532 A CB -0.722 18.340 19.000 0.103 0.000 0.810 532 A HN 0.595 nan 8.150 nan 0.000 0.446 533 E N 0.161 120.420 120.200 0.097 0.000 2.072 533 E HA -0.148 4.190 4.350 -0.020 0.000 0.191 533 E C 2.123 178.766 176.600 0.072 0.000 0.985 533 E CA 1.227 57.665 56.400 0.065 0.000 0.801 533 E CB -0.167 29.566 29.700 0.055 0.000 0.750 533 E HN 0.398 nan 8.360 nan 0.000 0.452 534 R N 0.182 120.759 120.500 0.130 0.000 2.090 534 R HA -0.010 4.318 4.340 -0.020 0.000 0.228 534 R C 2.492 178.872 176.300 0.133 0.000 1.110 534 R CA 1.303 57.495 56.100 0.153 0.000 0.973 534 R CB -0.741 29.687 30.300 0.212 0.000 0.869 534 R HN 0.252 nan 8.270 nan 0.000 0.440 535 R N 1.041 121.621 120.500 0.133 0.000 2.083 535 R HA -0.121 4.207 4.340 -0.020 0.000 0.237 535 R C 2.388 178.611 176.300 -0.129 0.000 1.137 535 R CA 1.716 57.710 56.100 -0.176 0.000 0.951 535 R CB -0.198 29.960 30.300 -0.236 0.000 0.851 535 R HN 0.072 nan 8.270 nan 0.000 0.434 536 R N 0.607 121.067 120.500 -0.067 0.000 2.080 536 R HA -0.155 4.173 4.340 -0.020 0.000 0.236 536 R C 2.374 178.603 176.300 -0.118 0.000 1.137 536 R CA 1.985 58.034 56.100 -0.086 0.000 0.943 536 R CB -0.470 29.797 30.300 -0.055 0.000 0.846 536 R HN 0.290 nan 8.270 nan 0.000 0.431 537 L N 1.023 122.186 121.223 -0.100 0.000 1.997 537 L HA -0.283 4.045 4.340 -0.020 0.000 0.216 537 L C 2.194 178.933 176.870 -0.218 0.000 1.074 537 L CA 1.687 56.424 54.840 -0.172 0.000 0.763 537 L CB -0.863 41.153 42.059 -0.071 0.000 0.890 537 L HN 0.248 nan 8.230 nan 0.000 0.434 538 N N 0.050 118.684 118.700 -0.111 0.000 2.166 538 N HA -0.136 4.592 4.740 -0.020 0.000 0.186 538 N C 1.956 177.407 175.510 -0.098 0.000 1.019 538 N CA 1.201 54.202 53.050 -0.082 0.000 0.856 538 N CB -0.248 38.209 38.487 -0.051 0.000 0.993 538 N HN 0.324 nan 8.380 nan 0.000 0.426 539 R N 0.087 120.516 120.500 -0.120 0.000 2.075 539 R HA 0.099 4.427 4.340 -0.020 0.000 0.232 539 R C 2.250 178.491 176.300 -0.099 0.000 1.126 539 R CA 1.041 57.087 56.100 -0.091 0.000 0.963 539 R CB -0.191 30.053 30.300 -0.095 0.000 0.858 539 R HN 0.235 nan 8.270 nan 0.000 0.435 540 M N -0.025 119.469 119.600 -0.177 0.000 2.117 540 M HA -0.126 4.342 4.480 -0.020 0.000 0.262 540 M C 2.493 178.687 176.300 -0.176 0.000 1.065 540 M CA 1.672 56.849 55.300 -0.204 0.000 1.114 540 M CB -0.281 32.091 32.600 -0.380 0.000 1.361 540 M HN 0.250 nan 8.290 nan 0.000 0.408 541 A N 0.002 122.660 122.820 -0.272 0.000 1.940 541 A HA -0.234 4.074 4.320 -0.020 0.000 0.219 541 A C 1.968 179.551 177.584 -0.001 0.000 1.176 541 A CA 2.114 54.125 52.037 -0.043 0.000 0.631 541 A CB -0.729 18.268 19.000 -0.005 0.000 0.814 541 A HN 0.614 nan 8.150 nan 0.000 0.446 542 E N -0.022 120.167 120.200 -0.018 0.000 2.122 542 E HA -0.198 4.140 4.350 -0.020 0.000 0.190 542 E C 2.137 178.735 176.600 -0.002 0.000 0.977 542 E CA 0.965 57.365 56.400 0.000 0.000 0.820 542 E CB -0.100 29.621 29.700 0.035 0.000 0.770 542 E HN 0.692 nan 8.360 nan 0.000 0.462 543 R N 0.505 121.015 120.500 0.018 0.000 2.148 543 R HA -0.069 4.259 4.340 -0.020 0.000 0.227 543 R C 1.426 177.745 176.300 0.030 0.000 1.103 543 R CA 1.751 57.880 56.100 0.047 0.000 0.983 543 R CB -0.135 30.195 30.300 0.051 0.000 0.874 543 R HN 0.100 nan 8.270 nan 0.000 0.451 544 D N 0.774 121.189 120.400 0.026 0.000 2.120 544 D HA -0.066 4.562 4.640 -0.020 0.000 0.202 544 D C 2.107 178.408 176.300 0.002 0.000 0.972 544 D CA 1.545 55.567 54.000 0.036 0.000 0.837 544 D CB -0.225 40.645 40.800 0.116 0.000 0.989 544 D HN 0.123 nan 8.370 nan 0.000 0.469 545 V N 1.646 121.496 119.914 -0.106 0.000 2.222 545 V HA -0.289 3.820 4.120 -0.020 0.000 0.252 545 V C 2.639 178.486 176.094 -0.411 0.000 1.060 545 V CA 2.363 64.452 62.300 -0.351 0.000 1.027 545 V CB -1.590 29.862 31.823 -0.617 0.000 0.644 545 V HN 0.240 nan 8.190 nan 0.000 0.448 546 G N -0.054 108.520 108.800 -0.378 0.000 2.574 546 G HA2 -0.366 3.582 3.960 -0.020 0.000 0.220 546 G HA3 -0.366 3.582 3.960 -0.020 0.000 0.220 546 G C 1.206 176.039 174.900 -0.111 0.000 1.173 546 G CA 1.482 46.344 45.100 -0.398 0.000 0.772 546 G HN 0.558 nan 8.290 nan 0.000 0.585 547 D N -0.666 119.777 120.400 0.071 0.000 2.104 547 D HA -0.109 4.519 4.640 -0.020 0.000 0.194 547 D C 1.982 178.325 176.300 0.073 0.000 0.994 547 D CA 0.624 54.703 54.000 0.132 0.000 0.830 547 D CB -0.315 40.492 40.800 0.012 0.000 0.959 547 D HN 0.414 nan 8.370 nan 0.000 0.452 548 W N 1.432 122.635 121.300 -0.161 0.000 2.333 548 W HA -0.120 4.529 4.660 -0.018 0.000 0.316 548 W C 2.267 178.680 176.519 -0.178 0.000 1.215 548 W CA 0.806 58.033 57.345 -0.197 0.000 1.278 548 W CB -0.756 28.497 29.460 -0.345 0.000 1.154 548 W HN 0.033 nan 8.180 nan 0.000 0.486 549 L N -1.339 119.848 121.223 -0.060 0.000 2.043 549 L HA -0.309 4.019 4.340 -0.020 0.000 0.212 549 L C 2.347 179.302 176.870 0.140 0.000 1.075 549 L CA 1.743 56.500 54.840 -0.138 0.000 0.752 549 L CB -1.603 40.127 42.059 -0.548 0.000 0.891 549 L HN -0.046 nan 8.230 nan 0.000 0.432 550 Y N 0.079 120.515 120.300 0.228 0.000 2.242 550 Y HA -0.206 4.332 4.550 -0.019 0.000 0.291 550 Y C 2.716 178.724 175.900 0.180 0.000 1.137 550 Y CA 0.544 58.793 58.100 0.249 0.000 1.181 550 Y CB -0.206 38.344 38.460 0.151 0.000 0.989 550 Y HN 0.173 nan 8.280 nan 0.000 0.527 551 A N 0.355 123.335 122.820 0.267 0.000 1.897 551 A HA -0.159 4.149 4.320 -0.020 0.000 0.215 551 A C 2.140 179.826 177.584 0.169 0.000 1.181 551 A CA 1.264 53.394 52.037 0.155 0.000 0.620 551 A CB -0.489 18.554 19.000 0.071 0.000 0.821 551 A HN 0.350 nan 8.150 nan 0.000 0.443 552 R N -1.893 118.731 120.500 0.207 0.000 2.083 552 R HA -0.152 4.176 4.340 -0.020 0.000 0.237 552 R C 1.993 178.433 176.300 0.232 0.000 1.137 552 R CA 1.735 57.953 56.100 0.197 0.000 0.951 552 R CB -0.522 29.887 30.300 0.181 0.000 0.851 552 R HN 0.563 nan 8.270 nan 0.000 0.434 553 F N 0.986 121.011 119.950 0.126 0.000 2.171 553 F HA -0.085 4.429 4.527 -0.020 0.000 0.300 553 F C 1.658 177.524 175.800 0.109 0.000 1.090 553 F CA 1.372 59.450 58.000 0.131 0.000 1.293 553 F CB 0.014 39.121 39.000 0.178 0.000 1.013 553 F HN -0.087 nan 8.300 nan 0.000 0.486 554 L N -0.461 120.800 121.223 0.063 0.000 2.607 554 L HA 0.049 4.377 4.340 -0.020 0.000 0.228 554 L C 2.038 178.885 176.870 -0.038 0.000 1.123 554 L CA 0.078 54.870 54.840 -0.080 0.000 0.890 554 L CB -0.331 41.689 42.059 -0.065 0.000 1.103 554 L HN -0.015 nan 8.230 nan 0.000 0.468 555 K N 1.532 121.938 120.400 0.010 0.000 2.009 555 K HA -0.240 4.069 4.320 -0.020 0.000 0.210 555 K C 1.667 178.273 176.600 0.010 0.000 1.049 555 K CA 2.167 58.468 56.287 0.023 0.000 0.929 555 K CB -0.176 32.354 32.500 0.049 0.000 0.714 555 K HN 0.372 nan 8.250 nan 0.000 0.440 556 D N -0.300 120.098 120.400 -0.005 0.000 2.378 556 D HA -0.146 4.482 4.640 -0.020 0.000 0.222 556 D C 0.900 177.199 176.300 -0.001 0.000 0.980 556 D CA 0.884 54.881 54.000 -0.005 0.000 0.907 556 D CB 0.029 40.821 40.800 -0.013 0.000 0.899 556 D HN 0.154 nan 8.370 nan 0.000 0.527 557 K N 0.466 120.868 120.400 0.003 0.000 2.284 557 K HA 0.231 4.539 4.320 -0.020 0.000 0.198 557 K C 0.888 177.523 176.600 0.058 0.000 1.048 557 K CA 0.412 56.731 56.287 0.053 0.000 0.987 557 K CB -0.274 32.305 32.500 0.132 0.000 0.800 557 K HN 0.210 nan 8.250 nan 0.000 0.486 558 A N 1.302 124.142 122.820 0.034 0.000 2.589 558 A HA 0.205 4.513 4.320 -0.020 0.000 0.259 558 A C 1.304 178.908 177.584 0.033 0.000 1.000 558 A CA 1.318 53.376 52.037 0.034 0.000 0.847 558 A CB -0.989 18.028 19.000 0.028 0.000 0.885 558 A HN 0.595 nan 8.150 nan 0.000 0.508 559 G N 2.033 110.854 108.800 0.035 0.000 2.184 559 G HA2 -0.203 3.745 3.960 -0.020 0.000 0.264 559 G HA3 -0.203 3.745 3.960 -0.020 0.000 0.264 559 G C 0.694 175.605 174.900 0.018 0.000 0.975 559 G CA 1.386 46.499 45.100 0.022 0.000 0.642 559 G HN 2.304 nan 8.290 nan 0.000 0.536 560 T N -2.108 112.463 114.554 0.029 0.000 2.884 560 T HA 0.557 4.895 4.350 -0.020 0.000 0.277 560 T C 0.856 175.570 174.700 0.023 0.000 0.976 560 T CA 0.564 62.677 62.100 0.021 0.000 0.956 560 T CB 1.575 70.455 68.868 0.021 0.000 1.113 560 T HN 0.320 nan 8.240 nan 0.000 0.554 561 D N -1.529 118.873 120.400 0.004 0.000 2.363 561 D HA 0.126 4.754 4.640 -0.020 0.000 0.214 561 D C 0.227 176.510 176.300 -0.029 0.000 1.093 561 D CA -0.367 53.630 54.000 -0.005 0.000 0.837 561 D CB -0.797 39.993 40.800 -0.016 0.000 0.948 561 D HN 0.598 nan 8.370 nan 0.000 0.507 562 T N 1.113 115.642 114.554 -0.042 0.000 2.777 562 T HA -0.086 4.252 4.350 -0.020 0.000 0.273 562 T C 0.398 174.987 174.700 -0.184 0.000 1.016 562 T CA 0.176 62.190 62.100 -0.145 0.000 1.156 562 T CB 0.311 69.055 68.868 -0.208 0.000 1.019 562 T HN 0.181 nan 8.240 nan 0.000 0.503 563 R N 1.590 121.895 120.500 -0.326 0.000 2.604 563 R HA 0.644 4.972 4.340 -0.020 0.000 0.287 563 R C -0.933 175.070 176.300 -0.495 0.000 0.970 563 R CA -0.656 55.314 56.100 -0.217 0.000 0.946 563 R CB 1.166 31.401 30.300 -0.109 0.000 1.127 563 R HN 0.502 nan 8.270 nan 0.000 0.473 564 F N 0.349 120.297 119.950 -0.002 0.000 2.547 564 F HA 0.416 4.931 4.527 -0.020 0.000 0.316 564 F C 0.193 175.994 175.800 0.002 0.000 1.121 564 F CA -1.033 56.967 58.000 0.000 0.000 0.911 564 F CB 1.852 40.847 39.000 -0.008 0.000 1.179 564 F HN 0.548 nan 8.300 nan 0.000 0.443 565 A N 2.204 125.121 122.820 0.163 0.000 2.477 565 A HA 0.686 4.995 4.320 -0.020 0.000 0.246 565 A C -0.234 177.417 177.584 0.111 0.000 1.078 565 A CA 0.222 52.325 52.037 0.111 0.000 0.770 565 A CB -0.144 18.904 19.000 0.080 0.000 1.011 565 A HN 1.067 nan 8.150 nan 0.000 0.494 566 A N 2.315 125.181 122.820 0.076 0.000 2.398 566 A HA 0.611 4.919 4.320 -0.020 0.000 0.301 566 A C -0.392 177.213 177.584 0.035 0.000 1.041 566 A CA -0.517 51.545 52.037 0.041 0.000 0.711 566 A CB 0.869 19.878 19.000 0.015 0.000 1.240 566 A HN 0.893 nan 8.150 nan 0.000 0.420 567 E N 2.732 122.951 120.200 0.031 0.000 2.229 567 E HA 0.389 4.727 4.350 -0.020 0.000 0.283 567 E C -0.729 175.887 176.600 0.026 0.000 1.030 567 E CA -0.413 56.012 56.400 0.040 0.000 0.836 567 E CB 0.441 30.172 29.700 0.052 0.000 1.068 567 E HN 0.572 nan 8.360 nan 0.000 0.401 568 I N 5.797 126.387 120.570 0.032 0.000 2.581 568 I HA -0.078 4.080 4.170 -0.020 0.000 0.285 568 I C 1.404 177.550 176.117 0.049 0.000 1.129 568 I CA -0.089 61.222 61.300 0.019 0.000 1.397 568 I CB 0.713 38.729 38.000 0.025 0.000 1.399 568 I HN 0.546 nan 8.210 nan 0.000 0.537 569 V N 1.376 121.313 119.914 0.039 0.000 2.949 569 V HA 0.266 4.374 4.120 -0.020 0.000 0.245 569 V C 0.243 176.376 176.094 0.065 0.000 1.086 569 V CA 0.715 63.049 62.300 0.057 0.000 1.097 569 V CB 0.254 32.106 31.823 0.048 0.000 0.762 569 V HN 0.806 nan 8.190 nan 0.000 0.470 570 D N -1.380 119.055 120.400 0.059 0.000 2.736 570 D HA 0.582 5.210 4.640 -0.020 0.000 0.223 570 D C -1.371 174.967 176.300 0.064 0.000 1.231 570 D CA -0.443 53.598 54.000 0.069 0.000 0.818 570 D CB 2.204 43.048 40.800 0.072 0.000 1.587 570 D HN 0.228 nan 8.370 nan 0.000 0.463 571 I N 2.164 122.778 120.570 0.073 0.000 2.533 571 I HA 0.524 4.682 4.170 -0.020 0.000 0.290 571 I C -0.472 175.691 176.117 0.076 0.000 1.056 571 I CA -0.559 60.780 61.300 0.065 0.000 1.057 571 I CB 1.848 39.894 38.000 0.077 0.000 1.240 571 I HN 0.514 nan 8.210 nan 0.000 0.423 572 S N 4.864 120.614 115.700 0.082 0.000 2.685 572 S HA 0.537 4.995 4.470 -0.020 0.000 0.282 572 S C 0.758 175.405 174.600 0.077 0.000 1.159 572 S CA -0.873 57.376 58.200 0.082 0.000 0.833 572 S CB 2.297 65.554 63.200 0.096 0.000 1.151 572 S HN 0.684 nan 8.310 nan 0.000 0.485 573 R N 0.373 120.912 120.500 0.064 0.000 2.224 573 R HA -0.210 4.119 4.340 -0.020 0.000 0.251 573 R C 2.043 178.386 176.300 0.072 0.000 1.123 573 R CA 2.464 58.599 56.100 0.058 0.000 0.944 573 R CB -1.190 29.135 30.300 0.040 0.000 0.910 573 R HN 0.883 nan 8.270 nan 0.000 0.440 574 G N -1.714 107.152 108.800 0.110 0.000 2.813 574 G HA2 0.339 4.287 3.960 -0.020 0.000 0.209 574 G HA3 0.339 4.287 3.960 -0.020 0.000 0.209 574 G C 0.365 175.387 174.900 0.202 0.000 1.150 574 G CA 0.560 45.757 45.100 0.161 0.000 0.785 574 G HN 0.705 nan 8.290 nan 0.000 0.535 575 G N -0.604 108.263 108.800 0.110 0.000 2.334 575 G HA2 0.261 4.209 3.960 -0.020 0.000 0.249 575 G HA3 0.261 4.209 3.960 -0.020 0.000 0.249 575 G C -1.195 173.608 174.900 -0.163 0.000 1.327 575 G CA -0.818 44.177 45.100 -0.175 0.000 0.979 575 G HN 0.193 nan 8.290 nan 0.000 0.471 576 M N 0.522 119.858 119.600 -0.441 0.000 2.326 576 M HA 0.529 4.997 4.480 -0.020 0.000 0.306 576 M C -0.026 176.148 176.300 -0.209 0.000 1.054 576 M CA -0.664 54.492 55.300 -0.240 0.000 0.922 576 M CB 2.679 35.104 32.600 -0.292 0.000 1.632 576 M HN 0.552 nan 8.290 nan 0.000 0.436 577 R N 1.565 122.087 120.500 0.036 0.000 2.459 577 R HA 0.766 5.094 4.340 -0.020 0.000 0.281 577 R C -1.535 174.763 176.300 -0.005 0.000 1.050 577 R CA -0.402 55.753 56.100 0.091 0.000 1.055 577 R CB 1.257 31.638 30.300 0.134 0.000 1.045 577 R HN 0.623 nan 8.270 nan 0.000 0.495 578 V N 3.957 123.857 119.914 -0.023 0.000 2.851 578 V HA 0.400 4.508 4.120 -0.020 0.000 0.307 578 V C -1.078 174.978 176.094 -0.063 0.000 1.129 578 V CA -0.795 61.475 62.300 -0.051 0.000 0.932 578 V CB 2.141 33.912 31.823 -0.087 0.000 1.024 578 V HN 0.760 nan 8.190 nan 0.000 0.426 579 R N 4.870 125.338 120.500 -0.053 0.000 2.387 579 R HA 0.638 4.966 4.340 -0.020 0.000 0.314 579 R C -1.204 175.041 176.300 -0.092 0.000 0.958 579 R CA -0.676 55.370 56.100 -0.090 0.000 0.846 579 R CB 1.179 31.456 30.300 -0.039 0.000 1.147 579 R HN 0.698 nan 8.270 nan 0.000 0.447 580 L N 5.256 126.375 121.223 -0.174 0.000 2.360 580 L HA 0.107 4.435 4.340 -0.020 0.000 0.276 580 L C 1.492 178.318 176.870 -0.073 0.000 1.121 580 L CA -0.465 54.304 54.840 -0.117 0.000 0.845 580 L CB 1.339 43.277 42.059 -0.202 0.000 1.143 580 L HN 0.613 nan 8.230 nan 0.000 0.452 581 V N 1.972 121.910 119.914 0.040 0.000 2.427 581 V HA -0.210 3.898 4.120 -0.020 0.000 0.248 581 V C 1.468 177.656 176.094 0.157 0.000 1.051 581 V CA 1.756 64.116 62.300 0.101 0.000 1.048 581 V CB -0.333 31.550 31.823 0.102 0.000 0.666 581 V HN 0.805 nan 8.190 nan 0.000 0.456 582 D N -0.069 120.412 120.400 0.134 0.000 2.348 582 D HA -0.019 4.609 4.640 -0.020 0.000 0.211 582 D C 1.396 177.769 176.300 0.122 0.000 0.998 582 D CA 0.983 55.089 54.000 0.177 0.000 0.873 582 D CB -0.019 40.891 40.800 0.183 0.000 0.925 582 D HN 0.772 nan 8.370 nan 0.000 0.524 583 N N -2.179 116.435 118.700 -0.143 0.000 2.075 583 N HA 0.142 4.870 4.740 -0.020 0.000 0.226 583 N C 1.342 176.241 175.510 -1.019 0.000 1.343 583 N CA 0.523 53.343 53.050 -0.383 0.000 0.881 583 N CB 0.590 39.063 38.487 -0.023 0.000 1.100 583 N HN -0.037 nan 8.380 nan 0.000 0.495 584 G N -0.294 107.855 108.800 -1.084 0.000 2.157 584 G HA2 -0.153 3.795 3.960 -0.020 0.000 0.248 584 G HA3 -0.153 3.795 3.960 -0.020 0.000 0.248 584 G C 0.316 174.733 174.900 -0.805 0.000 0.979 584 G CA 0.049 44.564 45.100 -0.975 0.000 0.650 584 G HN 0.823 nan 8.290 nan 0.000 0.529 585 A N 0.855 123.014 122.820 -1.101 0.000 2.498 585 A HA 0.539 4.847 4.320 -0.020 0.000 0.239 585 A C 0.907 178.109 177.584 -0.636 0.000 1.068 585 A CA 0.232 51.423 52.037 -1.410 0.000 0.766 585 A CB 0.137 18.554 19.000 -0.971 0.000 1.003 585 A HN 0.852 nan 8.150 nan 0.000 0.497 586 I N 1.410 121.695 120.570 -0.475 0.000 2.352 586 I HA 0.470 4.629 4.170 -0.020 0.000 0.290 586 I C 0.608 176.634 176.117 -0.152 0.000 1.036 586 I CA 0.264 61.432 61.300 -0.219 0.000 1.336 586 I CB 0.069 38.004 38.000 -0.107 0.000 1.407 586 I HN 0.660 nan 8.210 nan 0.000 0.497 587 A N 6.571 129.329 122.820 -0.103 0.000 2.423 587 A HA 0.809 5.117 4.320 -0.020 0.000 0.304 587 A C -1.407 176.202 177.584 0.041 0.000 1.104 587 A CA -0.497 51.509 52.037 -0.052 0.000 0.757 587 A CB 2.067 21.006 19.000 -0.102 0.000 1.313 587 A HN 0.559 nan 8.150 nan 0.000 0.423 588 F N 0.914 120.795 119.950 -0.116 0.000 2.508 588 F HA 0.734 5.247 4.527 -0.023 0.000 0.325 588 F C -0.769 174.942 175.800 -0.149 0.000 1.090 588 F CA -1.184 56.740 58.000 -0.126 0.000 0.945 588 F CB 1.424 40.346 39.000 -0.130 0.000 1.156 588 F HN 0.394 nan 8.300 nan 0.000 0.463 589 I N 7.367 127.348 120.570 -0.982 0.000 2.390 589 I HA 0.301 4.459 4.170 -0.020 0.000 0.283 589 I C -2.432 172.971 176.117 -1.189 0.000 1.016 589 I CA -2.121 58.695 61.300 -0.807 0.000 1.151 589 I CB 1.353 39.081 38.000 -0.453 0.000 1.293 589 I HN 0.368 nan 8.210 nan 0.000 0.458 590 P HA 0.039 nan 4.420 nan 0.000 0.268 590 P C 0.749 177.802 177.300 -0.410 0.000 1.205 590 P CA 0.050 62.751 63.100 -0.666 0.000 0.771 590 P CB 1.024 32.358 31.700 -0.610 0.000 0.858 591 A N 6.375 129.079 122.820 -0.193 0.000 1.915 591 A HA -0.198 4.110 4.320 -0.020 0.000 0.220 591 A C -0.436 177.169 177.584 0.036 0.000 1.198 591 A CA 2.159 54.163 52.037 -0.054 0.000 0.647 591 A CB -2.615 16.390 19.000 0.008 0.000 0.825 591 A HN 0.498 nan 8.150 nan 0.000 0.456 592 P HA -0.133 nan 4.420 nan 0.000 0.219 592 P C 1.146 178.621 177.300 0.293 0.000 1.146 592 P CA 0.957 64.150 63.100 0.154 0.000 0.808 592 P CB -0.295 31.498 31.700 0.155 0.000 0.779 593 F N -1.149 118.789 119.950 -0.019 0.000 2.451 593 F HA -0.073 4.442 4.527 -0.019 0.000 0.299 593 F C 1.917 177.723 175.800 0.011 0.000 1.101 593 F CA 0.237 58.224 58.000 -0.022 0.000 1.436 593 F CB -0.367 38.595 39.000 -0.063 0.000 1.074 593 F HN -0.130 nan 8.300 nan 0.000 0.553 594 L N -1.679 119.677 121.223 0.222 0.000 2.416 594 L HA 0.084 4.412 4.340 -0.020 0.000 0.216 594 L C -0.341 176.701 176.870 0.287 0.000 1.098 594 L CA 0.383 55.357 54.840 0.224 0.000 0.840 594 L CB -0.028 42.139 42.059 0.180 0.000 0.981 594 L HN 0.085 nan 8.230 nan 0.000 0.462 595 H N -1.990 117.143 119.070 0.105 0.000 3.155 595 H HA 0.366 4.909 4.556 -0.022 0.000 0.328 595 H C 0.383 175.749 175.328 0.063 0.000 1.059 595 H CA -0.427 55.665 56.048 0.074 0.000 1.378 595 H CB 1.170 30.971 29.762 0.065 0.000 1.998 595 H HN -0.066 nan 8.280 nan 0.000 0.480 596 A N 3.289 125.901 122.820 -0.347 0.000 1.954 596 A HA -0.140 4.168 4.320 -0.020 0.000 0.222 596 A C 0.501 177.967 177.584 -0.197 0.000 1.199 596 A CA 2.134 53.997 52.037 -0.290 0.000 0.657 596 A CB -0.475 18.385 19.000 -0.232 0.000 0.823 596 A HN 0.305 nan 8.150 nan 0.000 0.463 597 V N 0.096 119.856 119.914 -0.257 0.000 2.293 597 V HA 0.252 4.361 4.120 -0.020 0.000 0.275 597 V C 1.254 177.416 176.094 0.115 0.000 1.021 597 V CA 0.000 62.283 62.300 -0.028 0.000 0.815 597 V CB 0.786 32.617 31.823 0.014 0.000 1.025 597 V HN 0.650 nan 8.190 nan 0.000 0.448 598 R N 3.382 123.928 120.500 0.076 0.000 2.134 598 R HA -0.250 4.078 4.340 -0.020 0.000 0.248 598 R C 1.161 177.515 176.300 0.090 0.000 1.143 598 R CA 2.915 59.066 56.100 0.085 0.000 0.957 598 R CB 0.049 30.384 30.300 0.057 0.000 0.867 598 R HN 0.805 nan 8.270 nan 0.000 0.441 599 D N -0.761 119.686 120.400 0.078 0.000 2.355 599 D HA -0.041 4.587 4.640 -0.020 0.000 0.218 599 D C 0.782 177.124 176.300 0.069 0.000 1.004 599 D CA 0.621 54.658 54.000 0.062 0.000 0.880 599 D CB 0.280 41.108 40.800 0.045 0.000 0.911 599 D HN 0.463 nan 8.370 nan 0.000 0.528 600 E N -0.156 120.111 120.200 0.112 0.000 2.474 600 E HA 0.120 4.458 4.350 -0.020 0.000 0.195 600 E C -0.308 176.316 176.600 0.041 0.000 1.039 600 E CA -0.179 56.277 56.400 0.093 0.000 0.881 600 E CB 0.591 30.393 29.700 0.170 0.000 0.970 600 E HN 0.135 nan 8.360 nan 0.000 0.486 601 L N 1.080 122.351 121.223 0.082 0.000 2.333 601 L HA 0.335 4.663 4.340 -0.020 0.000 0.280 601 L C -1.133 175.766 176.870 0.047 0.000 1.004 601 L CA -0.833 54.042 54.840 0.058 0.000 0.820 601 L CB 1.847 43.983 42.059 0.129 0.000 1.247 601 L HN -0.307 nan 8.230 nan 0.000 0.416 602 V N 4.380 124.314 119.914 0.034 0.000 2.447 602 V HA 0.306 4.414 4.120 -0.020 0.000 0.292 602 V C -0.703 175.421 176.094 0.050 0.000 1.021 602 V CA -0.608 61.715 62.300 0.038 0.000 0.850 602 V CB 1.417 33.257 31.823 0.029 0.000 1.005 602 V HN 0.843 nan 8.190 nan 0.000 0.426 603 C N 3.582 122.915 119.300 0.054 0.000 2.225 603 C HA 0.552 5.000 4.460 -0.020 0.000 0.328 603 C C 0.964 175.991 174.990 0.060 0.000 1.187 603 C CA -0.380 58.674 59.018 0.061 0.000 1.665 603 C CB 0.127 27.898 27.740 0.051 0.000 2.253 603 C HN 0.831 nan 8.230 nan 0.000 0.497 604 S N 2.026 117.768 115.700 0.071 0.000 2.448 604 S HA 0.175 4.633 4.470 -0.020 0.000 0.320 604 S C 0.904 175.552 174.600 0.080 0.000 1.071 604 S CA -0.327 57.916 58.200 0.070 0.000 1.113 604 S CB 0.729 63.974 63.200 0.074 0.000 0.972 604 S HN 0.811 nan 8.310 nan 0.000 0.465 605 Q N 3.773 123.612 119.800 0.066 0.000 2.135 605 Q HA -0.182 4.146 4.340 -0.020 0.000 0.204 605 Q C 1.161 177.200 176.000 0.064 0.000 0.981 605 Q CA 2.389 58.230 55.803 0.063 0.000 0.856 605 Q CB 0.076 28.842 28.738 0.047 0.000 0.902 605 Q HN 0.830 nan 8.270 nan 0.000 0.425 606 E N -0.302 119.936 120.200 0.063 0.000 2.122 606 E HA -0.032 4.306 4.350 -0.020 0.000 0.190 606 E C 1.479 178.133 176.600 0.089 0.000 0.977 606 E CA 1.076 57.511 56.400 0.058 0.000 0.820 606 E CB -0.007 29.722 29.700 0.049 0.000 0.770 606 E HN 0.434 nan 8.360 nan 0.000 0.462 607 N N 0.378 119.148 118.700 0.116 0.000 2.409 607 N HA -0.010 4.718 4.740 -0.020 0.000 0.179 607 N C 1.057 176.722 175.510 0.258 0.000 1.032 607 N CA 1.061 54.219 53.050 0.181 0.000 0.898 607 N CB 0.177 38.773 38.487 0.182 0.000 0.971 607 N HN 0.280 nan 8.380 nan 0.000 0.441 608 G N 1.311 110.235 108.800 0.206 0.000 2.221 608 G HA2 -0.269 3.679 3.960 -0.020 0.000 0.265 608 G HA3 -0.269 3.679 3.960 -0.020 0.000 0.265 608 G C 0.084 175.168 174.900 0.306 0.000 1.041 608 G CA 0.996 46.257 45.100 0.268 0.000 0.807 608 G HN 0.626 nan 8.290 nan 0.000 0.502 609 T N -3.468 111.208 114.554 0.203 0.000 2.916 609 T HA 0.743 5.081 4.350 -0.020 0.000 0.292 609 T C -0.544 174.227 174.700 0.118 0.000 1.055 609 T CA -0.615 61.570 62.100 0.141 0.000 1.009 609 T CB 3.064 71.994 68.868 0.102 0.000 1.118 609 T HN 0.833 nan 8.240 nan 0.000 0.497 610 V N 2.268 122.258 119.914 0.126 0.000 2.448 610 V HA 0.476 4.584 4.120 -0.020 0.000 0.295 610 V C -0.371 175.760 176.094 0.062 0.000 1.025 610 V CA -0.720 61.657 62.300 0.128 0.000 0.859 610 V CB 1.418 33.398 31.823 0.260 0.000 0.988 610 V HN 0.915 nan 8.190 nan 0.000 0.431 611 Q N 4.434 124.250 119.800 0.025 0.000 2.337 611 Q HA 0.661 4.989 4.340 -0.020 0.000 0.266 611 Q C -1.231 174.731 176.000 -0.065 0.000 1.023 611 Q CA -0.640 55.147 55.803 -0.028 0.000 0.829 611 Q CB 3.209 31.936 28.738 -0.020 0.000 1.306 611 Q HN 0.629 nan 8.270 nan 0.000 0.449 612 I N 2.306 122.796 120.570 -0.133 0.000 2.362 612 I HA 0.184 4.342 4.170 -0.020 0.000 0.289 612 I C -0.064 175.948 176.117 -0.175 0.000 0.994 612 I CA -0.548 60.604 61.300 -0.246 0.000 1.158 612 I CB 1.121 38.856 38.000 -0.441 0.000 1.315 612 I HN 0.642 nan 8.210 nan 0.000 0.451 613 K N 4.599 124.923 120.400 -0.127 0.000 3.077 613 K HA -0.233 4.075 4.320 -0.020 0.000 0.264 613 K C 0.841 177.410 176.600 -0.052 0.000 1.008 613 K CA 0.732 56.979 56.287 -0.066 0.000 0.740 613 K CB -1.295 31.170 32.500 -0.058 0.000 1.273 613 K HN 1.197 nan 8.250 nan 0.000 0.477 614 G N -0.629 108.142 108.800 -0.047 0.000 2.179 614 G HA2 -0.321 3.627 3.960 -0.020 0.000 0.260 614 G HA3 -0.321 3.627 3.960 -0.020 0.000 0.260 614 G C -0.258 174.617 174.900 -0.042 0.000 0.977 614 G CA 0.601 45.681 45.100 -0.034 0.000 0.641 614 G HN 0.464 nan 8.290 nan 0.000 0.533 615 E N 0.657 120.820 120.200 -0.062 0.000 2.187 615 E HA 0.488 4.826 4.350 -0.020 0.000 0.268 615 E C -0.298 176.251 176.600 -0.085 0.000 0.896 615 E CA -0.531 55.828 56.400 -0.069 0.000 0.766 615 E CB 1.281 30.936 29.700 -0.076 0.000 1.142 615 E HN 0.106 nan 8.360 nan 0.000 0.408 616 T N 2.021 116.526 114.554 -0.081 0.000 2.834 616 T HA 0.062 4.400 4.350 -0.020 0.000 0.298 616 T C 0.799 175.411 174.700 -0.148 0.000 0.966 616 T CA -0.146 61.898 62.100 -0.092 0.000 1.141 616 T CB 0.882 69.697 68.868 -0.089 0.000 0.905 616 T HN 0.210 nan 8.240 nan 0.000 0.535 617 V N 2.665 122.461 119.914 -0.196 0.000 3.219 617 V HA 0.260 4.368 4.120 -0.020 0.000 0.240 617 V C -0.479 175.275 176.094 -0.567 0.000 1.222 617 V CA 0.458 62.520 62.300 -0.396 0.000 1.181 617 V CB 0.107 31.657 31.823 -0.455 0.000 0.941 617 V HN 0.812 nan 8.190 nan 0.000 0.471 618 Y N -0.192 120.084 120.300 -0.041 0.000 2.512 618 Y HA 0.679 5.216 4.550 -0.022 0.000 0.348 618 Y C -0.103 175.772 175.900 -0.043 0.000 0.990 618 Y CA -0.945 57.135 58.100 -0.034 0.000 1.033 618 Y CB 1.896 40.348 38.460 -0.013 0.000 1.259 618 Y HN -0.114 nan 8.280 nan 0.000 0.461 619 K N 1.151 121.624 120.400 0.122 0.000 2.426 619 K HA 0.530 4.838 4.320 -0.020 0.000 0.251 619 K C -1.276 175.425 176.600 0.168 0.000 0.941 619 K CA -1.116 55.207 56.287 0.060 0.000 0.808 619 K CB 2.749 35.105 32.500 -0.241 0.000 1.265 619 K HN 0.346 nan 8.250 nan 0.000 0.432 620 V N 2.914 122.990 119.914 0.271 0.000 2.681 620 V HA -0.169 3.939 4.120 -0.020 0.000 0.306 620 V C 1.180 177.436 176.094 0.270 0.000 1.077 620 V CA 2.062 64.513 62.300 0.252 0.000 1.224 620 V CB -0.021 31.941 31.823 0.231 0.000 0.879 620 V HN 1.184 nan 8.190 nan 0.000 0.494 621 T N 1.125 115.780 114.554 0.168 0.000 6.445 621 T HA -0.194 4.144 4.350 -0.020 0.000 0.280 621 T C 0.025 174.790 174.700 0.108 0.000 2.174 621 T CA 0.558 62.740 62.100 0.137 0.000 3.648 621 T CB -1.803 67.162 68.868 0.161 0.000 1.091 621 T HN 0.621 nan 8.240 nan 0.000 1.002 622 D N 1.725 122.188 120.400 0.106 0.000 2.423 622 D HA 0.476 5.104 4.640 -0.020 0.000 0.238 622 D C 0.597 176.948 176.300 0.084 0.000 1.142 622 D CA 0.491 54.544 54.000 0.088 0.000 0.884 622 D CB 1.555 42.421 40.800 0.111 0.000 1.199 622 D HN 0.777 nan 8.370 nan 0.000 0.438 623 V N 2.429 122.387 119.914 0.073 0.000 2.483 623 V HA 0.740 4.848 4.120 -0.020 0.000 0.295 623 V C -0.309 175.833 176.094 0.080 0.000 1.035 623 V CA -0.478 61.864 62.300 0.069 0.000 0.896 623 V CB 0.989 32.847 31.823 0.059 0.000 0.986 623 V HN 0.532 nan 8.190 nan 0.000 0.447 624 I N 1.677 122.297 120.570 0.082 0.000 3.191 624 I HA 0.723 4.881 4.170 -0.020 0.000 0.313 624 I C -1.303 174.862 176.117 0.080 0.000 1.193 624 I CA -0.882 60.477 61.300 0.099 0.000 0.968 624 I CB 2.480 40.569 38.000 0.149 0.000 1.262 624 I HN 0.406 nan 8.210 nan 0.000 0.456 625 D N 2.813 123.262 120.400 0.081 0.000 2.168 625 D HA 0.580 5.208 4.640 -0.020 0.000 0.246 625 D C -0.429 175.920 176.300 0.082 0.000 1.050 625 D CA -0.076 53.970 54.000 0.076 0.000 0.857 625 D CB 2.592 43.423 40.800 0.053 0.000 1.169 625 D HN 0.601 nan 8.370 nan 0.000 0.453 626 V N -0.886 119.091 119.914 0.106 0.000 3.074 626 V HA 0.845 4.953 4.120 -0.020 0.000 0.314 626 V C 0.028 176.220 176.094 0.164 0.000 1.117 626 V CA -0.805 61.558 62.300 0.105 0.000 1.014 626 V CB 1.726 33.593 31.823 0.074 0.000 1.057 626 V HN 0.618 nan 8.190 nan 0.000 0.438 627 T N 0.031 114.664 114.554 0.132 0.000 2.949 627 T HA 0.736 5.074 4.350 -0.020 0.000 0.287 627 T C -0.382 174.399 174.700 0.134 0.000 1.034 627 T CA -0.775 61.422 62.100 0.163 0.000 1.018 627 T CB 1.591 70.510 68.868 0.085 0.000 1.135 627 T HN 0.678 nan 8.240 nan 0.000 0.532 628 I N 1.902 122.554 120.570 0.137 0.000 2.297 628 I HA 0.364 4.522 4.170 -0.020 0.000 0.291 628 I C 1.310 177.469 176.117 0.070 0.000 1.033 628 I CA -0.900 60.438 61.300 0.065 0.000 1.253 628 I CB 0.037 38.055 38.000 0.031 0.000 1.396 628 I HN 0.998 nan 8.210 nan 0.000 0.476 629 A N 5.516 128.390 122.820 0.089 0.000 1.930 629 A HA 0.049 4.357 4.320 -0.020 0.000 0.215 629 A C 0.822 178.458 177.584 0.087 0.000 1.176 629 A CA 0.815 52.913 52.037 0.102 0.000 0.632 629 A CB 0.211 19.342 19.000 0.220 0.000 0.819 629 A HN 0.731 nan 8.150 nan 0.000 0.445 630 E N -1.323 118.924 120.200 0.078 0.000 2.363 630 E HA 0.499 4.837 4.350 -0.020 0.000 0.281 630 E C -2.120 174.498 176.600 0.031 0.000 0.953 630 E CA -0.514 55.920 56.400 0.057 0.000 0.778 630 E CB 2.293 32.038 29.700 0.073 0.000 1.220 630 E HN -0.034 nan 8.360 nan 0.000 0.431 631 V N 4.431 124.358 119.914 0.022 0.000 2.349 631 V HA 0.428 4.536 4.120 -0.020 0.000 0.284 631 V C -0.358 175.742 176.094 0.010 0.000 1.014 631 V CA -0.727 61.580 62.300 0.011 0.000 0.826 631 V CB 1.279 33.111 31.823 0.016 0.000 1.009 631 V HN 0.571 nan 8.190 nan 0.000 0.431 632 R N 5.329 125.826 120.500 -0.006 0.000 2.205 632 R HA 0.351 4.679 4.340 -0.020 0.000 0.342 632 R C 0.673 176.957 176.300 -0.028 0.000 1.058 632 R CA -0.593 55.499 56.100 -0.013 0.000 0.904 632 R CB 0.919 31.202 30.300 -0.028 0.000 1.089 632 R HN 0.547 nan 8.270 nan 0.000 0.471 633 M N 1.770 121.369 119.600 -0.001 0.000 2.374 633 M HA -0.094 4.374 4.480 -0.020 0.000 0.264 633 M C 1.044 177.330 176.300 -0.024 0.000 1.067 633 M CA 1.556 56.859 55.300 0.006 0.000 1.103 633 M CB -0.445 32.198 32.600 0.071 0.000 1.402 633 M HN 0.433 nan 8.290 nan 0.000 0.444 634 E N 0.154 120.343 120.200 -0.019 0.000 2.051 634 E HA -0.113 4.225 4.350 -0.020 0.000 0.192 634 E C 1.874 178.421 176.600 -0.088 0.000 0.991 634 E CA 1.973 58.362 56.400 -0.018 0.000 0.799 634 E CB -0.660 29.029 29.700 -0.018 0.000 0.748 634 E HN 0.588 nan 8.360 nan 0.000 0.449 635 T N -2.337 112.144 114.554 -0.123 0.000 3.069 635 T HA 0.259 4.597 4.350 -0.020 0.000 0.252 635 T C 0.234 174.789 174.700 -0.241 0.000 1.053 635 T CA -0.236 61.758 62.100 -0.177 0.000 0.964 635 T CB -0.004 68.778 68.868 -0.144 0.000 1.005 635 T HN 0.041 nan 8.240 nan 0.000 0.532 636 R N 0.579 120.926 120.500 -0.255 0.000 3.741 636 R HA -0.141 4.188 4.340 -0.020 0.000 0.292 636 R C -0.349 175.868 176.300 -0.139 0.000 1.176 636 R CA 0.784 56.741 56.100 -0.239 0.000 0.794 636 R CB -3.113 26.953 30.300 -0.390 0.000 1.213 636 R HN 0.442 nan 8.270 nan 0.000 0.494 637 S N 0.429 116.063 115.700 -0.110 0.000 2.525 637 S HA 0.610 5.068 4.470 -0.020 0.000 0.278 637 S C 0.498 175.072 174.600 -0.044 0.000 1.234 637 S CA -0.719 57.431 58.200 -0.082 0.000 1.058 637 S CB 1.356 64.501 63.200 -0.093 0.000 0.983 637 S HN 0.217 nan 8.310 nan 0.000 0.495 638 I N 3.796 124.348 120.570 -0.031 0.000 2.378 638 I HA 0.389 4.547 4.170 -0.020 0.000 0.291 638 I C -0.763 175.357 176.117 0.005 0.000 0.992 638 I CA -0.616 60.670 61.300 -0.024 0.000 1.154 638 I CB 1.178 39.142 38.000 -0.060 0.000 1.315 638 I HN 0.345 nan 8.210 nan 0.000 0.448 639 I N 5.329 125.912 120.570 0.023 0.000 2.378 639 I HA 0.586 4.744 4.170 -0.020 0.000 0.291 639 I C 0.312 176.468 176.117 0.065 0.000 0.992 639 I CA -0.387 60.943 61.300 0.049 0.000 1.154 639 I CB 1.421 39.461 38.000 0.067 0.000 1.315 639 I HN 0.555 nan 8.210 nan 0.000 0.448 640 A N 7.131 129.976 122.820 0.040 0.000 2.330 640 A HA 0.857 5.165 4.320 -0.020 0.000 0.329 640 A C -0.313 177.376 177.584 0.174 0.000 1.135 640 A CA -0.758 51.316 52.037 0.062 0.000 0.817 640 A CB 1.885 20.875 19.000 -0.016 0.000 1.269 640 A HN 0.768 nan 8.150 nan 0.000 0.469 641 R N 1.174 121.772 120.500 0.163 0.000 2.621 641 R HA 0.547 4.875 4.340 -0.020 0.000 0.292 641 R C -3.041 173.306 176.300 0.077 0.000 0.969 641 R CA -1.955 54.252 56.100 0.178 0.000 0.887 641 R CB 1.991 32.301 30.300 0.016 0.000 1.180 641 R HN 0.432 nan 8.270 nan 0.000 0.450 642 P HA -0.056 nan 4.420 nan 0.000 0.269 642 P C -0.540 176.796 177.300 0.060 0.000 1.209 642 P CA -0.368 62.771 63.100 0.066 0.000 0.776 642 P CB 0.603 32.370 31.700 0.112 0.000 0.876 643 V N -0.146 119.806 119.914 0.062 0.000 2.508 643 V HA 0.607 4.715 4.120 -0.020 0.000 0.281 643 V C 0.314 176.434 176.094 0.043 0.000 1.041 643 V CA -0.357 61.968 62.300 0.041 0.000 1.016 643 V CB -0.595 31.248 31.823 0.033 0.000 0.984 643 V HN 1.024 nan 8.190 nan 0.000 0.478 644 A N 0.000 122.834 122.820 0.024 0.000 2.254 644 A HA 0.000 4.308 4.320 -0.020 0.000 0.244 644 A CA 0.000 52.048 52.037 0.018 0.000 0.836 644 A CB 0.000 19.007 19.000 0.012 0.000 0.831 644 A HN 0.000 nan 8.150 nan 0.000 0.486