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 1p0p_1_A DATA FIRST_RESID 4 DATA SEQUENCE IIIATKNGKV RGMQLTVFGG TVTAFLGIPY AQPPLGRLRF KKPQSLTKWS DATA SEQUENCE DIWNATKYAN ScCQNIDQSF PGFHGSEMWN PNTDLSEDcL YLNVWIPAPK DATA SEQUENCE PKNATVLIWI YGGGFQTGTS SLHVYDGKFL ARVERVIVVS MNYRVGALGF DATA SEQUENCE LALPGNPEAP GNMGLFDQQL ALQWVQKNIA AFGGNPKSVT LFGESAGAAS DATA SEQUENCE VSLHLLSPGS HSLFTRAILQ SGSFNAPWAV TSLYEARNRT LNLAKLTGcS DATA SEQUENCE RXNETEIIKc LRNKDPQEIL LNEAFVVPYG TPLSVNFGPT VDGDFLTDMP DATA SEQUENCE DILLELGQFK KTQILVGVNK DEGTAFLVYG APGFSKDNNS IITRKEFQEG DATA SEQUENCE LKIFFPGVSE FGKESILFHY TDWVXXQRPE NYREALGDVV GDYNFIcPAL DATA SEQUENCE EFTKKFSEWG NNAFFYYFEH RSSKLPWPEW MGVMHGYEIE FVFGLPLERR DATA SEQUENCE DXYTKAEEIL SRSIVKRWAN FAKYGNPQET QNQSTSWPVF KSTEQKYLTL DATA SEQUENCE NTESTRIMTK LRAQQcRFWT SFFPKV 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 I HA 0.000 nan 4.170 nan 0.000 0.288 4 I C 0.000 176.205 176.117 0.147 0.000 1.063 4 I CA 0.000 61.341 61.300 0.069 0.000 1.566 4 I CB 0.000 38.065 38.000 0.108 0.000 1.214 5 I N 7.380 128.038 120.570 0.147 0.000 2.406 5 I HA 0.480 4.650 4.170 -0.000 0.000 0.290 5 I C -0.697 175.487 176.117 0.112 0.000 0.999 5 I CA -0.741 60.664 61.300 0.174 0.000 1.124 5 I CB 1.607 39.679 38.000 0.120 0.000 1.289 5 I HN 0.249 nan 8.210 nan 0.000 0.441 6 I N 4.764 125.388 120.570 0.090 0.000 2.493 6 I HA 0.506 4.676 4.170 -0.000 0.000 0.298 6 I C 0.320 176.359 176.117 -0.130 0.000 0.998 6 I CA -0.690 60.496 61.300 -0.190 0.000 1.137 6 I CB 1.936 39.492 38.000 -0.741 0.000 1.310 6 I HN 0.548 nan 8.210 nan 0.000 0.445 7 A N 4.572 127.290 122.820 -0.170 0.000 2.252 7 A HA 0.651 4.971 4.320 -0.000 0.000 0.309 7 A C 0.291 177.784 177.584 -0.152 0.000 1.285 7 A CA -0.350 51.623 52.037 -0.108 0.000 0.900 7 A CB 0.343 19.290 19.000 -0.089 0.000 1.157 7 A HN 0.809 nan 8.150 nan 0.000 0.536 8 T N -0.288 114.205 114.554 -0.100 0.000 2.937 8 T HA 0.413 4.763 4.350 -0.000 0.000 0.283 8 T C 0.763 175.358 174.700 -0.174 0.000 1.012 8 T CA -0.762 61.274 62.100 -0.106 0.000 0.997 8 T CB 0.944 69.852 68.868 0.067 0.000 1.136 8 T HN 0.370 nan 8.240 nan 0.000 0.551 9 K N 0.767 121.053 120.400 -0.190 0.000 2.281 9 K HA -0.048 4.271 4.320 -0.000 0.000 0.203 9 K C 1.157 177.622 176.600 -0.224 0.000 1.046 9 K CA 1.301 57.477 56.287 -0.184 0.000 0.938 9 K CB -0.561 31.837 32.500 -0.169 0.000 0.737 9 K HN 0.651 nan 8.250 nan 0.000 0.458 10 N N -0.673 117.838 118.700 -0.314 0.000 2.205 10 N HA 0.117 4.857 4.740 -0.000 0.000 0.201 10 N C 0.223 175.055 175.510 -1.130 0.000 1.128 10 N CA 0.280 53.014 53.050 -0.527 0.000 0.867 10 N CB 1.374 39.629 38.487 -0.388 0.000 0.996 10 N HN 0.203 nan 8.380 nan 0.000 0.503 11 G N -0.098 108.147 108.800 -0.926 0.000 2.369 11 G HA2 0.016 3.976 3.960 -0.000 0.000 0.293 11 G HA3 0.016 3.976 3.960 -0.000 0.000 0.293 11 G C -1.740 173.013 174.900 -0.245 0.000 1.301 11 G CA -0.989 43.522 45.100 -0.983 0.000 0.913 11 G HN -0.081 nan 8.290 nan 0.000 0.540 12 K N -0.566 119.931 120.400 0.162 0.000 2.118 12 K HA 0.677 4.997 4.320 -0.000 0.000 0.264 12 K C -0.029 176.943 176.600 0.620 0.000 1.000 12 K CA -0.569 55.912 56.287 0.323 0.000 0.929 12 K CB 2.067 34.716 32.500 0.249 0.000 1.021 12 K HN 1.187 nan 8.250 nan 0.000 0.463 13 V N -0.964 119.240 119.914 0.484 0.000 2.888 13 V HA 0.554 4.674 4.120 -0.000 0.000 0.309 13 V C -0.957 175.439 176.094 0.505 0.000 1.114 13 V CA -1.159 61.487 62.300 0.576 0.000 0.940 13 V CB 1.881 34.089 31.823 0.642 0.000 1.021 13 V HN 0.805 nan 8.190 nan 0.000 0.426 14 R N 1.986 122.735 120.500 0.416 0.000 2.460 14 R HA 0.785 5.125 4.340 -0.000 0.000 0.303 14 R C 0.294 176.648 176.300 0.090 0.000 0.968 14 R CA 0.200 56.451 56.100 0.252 0.000 0.889 14 R CB 1.889 32.263 30.300 0.123 0.000 1.123 14 R HN 1.197 nan 8.270 nan 0.000 0.455 15 G N 2.734 111.357 108.800 -0.295 0.000 2.828 15 G HA2 0.542 4.502 3.960 -0.000 0.000 0.244 15 G HA3 0.542 4.502 3.960 -0.000 0.000 0.244 15 G C -0.660 173.969 174.900 -0.453 0.000 1.365 15 G CA -0.769 43.817 45.100 -0.857 0.000 1.041 15 G HN 0.615 nan 8.290 nan 0.000 0.560 16 M N -1.351 117.979 119.600 -0.450 0.000 2.550 16 M HA 0.666 5.146 4.480 -0.000 0.000 0.292 16 M C -1.663 174.518 176.300 -0.197 0.000 1.221 16 M CA -0.961 54.191 55.300 -0.247 0.000 0.873 16 M CB 2.348 34.828 32.600 -0.199 0.000 1.727 16 M HN 0.288 nan 8.290 nan 0.000 0.459 17 Q N 2.122 121.852 119.800 -0.117 0.000 2.243 17 Q HA 0.744 5.084 4.340 -0.000 0.000 0.252 17 Q C -1.583 174.386 176.000 -0.052 0.000 0.909 17 Q CA -0.010 55.753 55.803 -0.067 0.000 0.922 17 Q CB 1.679 30.394 28.738 -0.039 0.000 1.215 17 Q HN 0.758 nan 8.270 nan 0.000 0.427 18 L N 1.528 122.732 121.223 -0.031 0.000 2.362 18 L HA 0.564 4.904 4.340 -0.000 0.000 0.271 18 L C -0.359 176.495 176.870 -0.026 0.000 1.002 18 L CA -0.872 53.949 54.840 -0.032 0.000 0.818 18 L CB 2.346 44.388 42.059 -0.028 0.000 1.298 18 L HN 0.467 nan 8.230 nan 0.000 0.420 19 T N 2.569 117.106 114.554 -0.029 0.000 2.728 19 T HA 0.521 4.870 4.350 -0.000 0.000 0.296 19 T C -0.343 174.329 174.700 -0.047 0.000 0.940 19 T CA -0.279 61.812 62.100 -0.016 0.000 1.013 19 T CB 0.837 69.707 68.868 0.004 0.000 0.912 19 T HN 0.263 nan 8.240 nan 0.000 0.484 20 V N 4.389 124.268 119.914 -0.057 0.000 2.569 20 V HA 0.401 4.521 4.120 -0.000 0.000 0.301 20 V C -0.617 175.462 176.094 -0.026 0.000 1.044 20 V CA -1.217 60.977 62.300 -0.177 0.000 0.874 20 V CB 1.038 32.665 31.823 -0.326 0.000 1.002 20 V HN 0.857 nan 8.190 nan 0.000 0.424 21 F N 3.110 123.120 119.950 0.100 0.000 2.866 21 F HA -0.163 4.364 4.527 -0.000 0.000 0.254 21 F C 1.604 177.435 175.800 0.052 0.000 1.009 21 F CA 1.284 59.327 58.000 0.072 0.000 0.907 21 F CB -1.696 37.349 39.000 0.074 0.000 0.859 21 F HN 1.219 nan 8.300 nan 0.000 0.842 22 G N -0.861 108.064 108.800 0.208 0.000 2.187 22 G HA2 0.028 3.988 3.960 -0.000 0.000 0.261 22 G HA3 0.028 3.988 3.960 -0.000 0.000 0.261 22 G C 0.810 175.775 174.900 0.107 0.000 1.000 22 G CA 0.611 45.788 45.100 0.128 0.000 0.718 22 G HN 1.522 nan 8.290 nan 0.000 0.519 23 G N -2.182 106.686 108.800 0.113 0.000 3.251 23 G HA2 0.885 4.845 3.960 -0.000 0.000 0.248 23 G HA3 0.885 4.845 3.960 -0.000 0.000 0.248 23 G C -0.452 174.482 174.900 0.056 0.000 1.320 23 G CA 0.544 45.697 45.100 0.087 0.000 0.982 23 G HN 1.317 nan 8.290 nan 0.000 0.575 24 T N -1.961 112.624 114.554 0.051 0.000 2.956 24 T HA 0.585 4.935 4.350 -0.000 0.000 0.312 24 T C -1.549 173.179 174.700 0.047 0.000 1.151 24 T CA -0.428 61.693 62.100 0.035 0.000 1.024 24 T CB 1.727 70.616 68.868 0.034 0.000 1.140 24 T HN 0.633 nan 8.240 nan 0.000 0.473 25 V N 3.488 123.426 119.914 0.040 0.000 2.823 25 V HA 0.639 4.759 4.120 -0.000 0.000 0.312 25 V C 0.096 176.240 176.094 0.083 0.000 1.072 25 V CA -0.788 61.562 62.300 0.084 0.000 0.937 25 V CB 2.462 34.339 31.823 0.089 0.000 1.013 25 V HN 1.081 nan 8.190 nan 0.000 0.430 26 T N 3.749 118.379 114.554 0.125 0.000 2.749 26 T HA 0.699 5.049 4.350 -0.000 0.000 0.287 26 T C -0.077 174.655 174.700 0.054 0.000 0.970 26 T CA -0.214 61.922 62.100 0.061 0.000 0.980 26 T CB 1.277 70.235 68.868 0.150 0.000 0.924 26 T HN 0.927 nan 8.240 nan 0.000 0.456 27 A N 3.082 125.798 122.820 -0.174 0.000 2.330 27 A HA 0.820 5.140 4.320 -0.000 0.000 0.327 27 A C -0.996 176.295 177.584 -0.489 0.000 1.155 27 A CA -0.689 51.159 52.037 -0.315 0.000 0.803 27 A CB 0.533 19.308 19.000 -0.375 0.000 1.208 27 A HN 0.748 nan 8.150 nan 0.000 0.477 28 F N 2.730 122.507 119.950 -0.288 0.000 2.443 28 F HA 0.367 4.894 4.527 -0.000 0.000 0.369 28 F C -0.191 175.432 175.800 -0.295 0.000 1.090 28 F CA -0.336 57.577 58.000 -0.145 0.000 1.129 28 F CB 1.110 40.138 39.000 0.047 0.000 1.367 28 F HN 0.345 nan 8.300 nan 0.000 0.465 29 L N 2.552 123.645 121.223 -0.217 0.000 2.292 29 L HA 0.596 4.936 4.340 -0.000 0.000 0.284 29 L C 0.935 177.767 176.870 -0.064 0.000 1.065 29 L CA -0.660 54.012 54.840 -0.280 0.000 0.806 29 L CB 1.057 42.803 42.059 -0.521 0.000 1.175 29 L HN 0.842 nan 8.230 nan 0.000 0.431 30 G N 4.050 112.854 108.800 0.007 0.000 2.341 30 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.278 30 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.278 30 G C -0.336 174.667 174.900 0.172 0.000 1.111 30 G CA -0.513 44.646 45.100 0.100 0.000 0.982 30 G HN 0.512 nan 8.290 nan 0.000 0.502 31 I N 1.956 122.546 120.570 0.034 0.000 2.342 31 I HA 0.298 4.468 4.170 -0.000 0.000 0.291 31 I C -1.417 174.582 176.117 -0.197 0.000 1.010 31 I CA -2.412 58.781 61.300 -0.179 0.000 1.308 31 I CB 1.545 39.392 38.000 -0.254 0.000 1.400 31 I HN 0.037 nan 8.210 nan 0.000 0.488 32 P HA 0.032 nan 4.420 nan 0.000 0.275 32 P C -0.838 176.266 177.300 -0.326 0.000 1.227 32 P CA 0.177 62.944 63.100 -0.555 0.000 0.781 32 P CB 0.562 31.828 31.700 -0.724 0.000 0.906 33 Y N 0.802 120.858 120.300 -0.406 0.000 2.626 33 Y HA 0.757 5.307 4.550 -0.000 0.000 0.248 33 Y C -0.272 175.577 175.900 -0.085 0.000 1.147 33 Y CA -0.765 57.192 58.100 -0.239 0.000 1.219 33 Y CB 0.189 38.437 38.460 -0.355 0.000 1.279 33 Y HN 0.531 nan 8.280 nan 0.000 0.541 34 A N 0.433 122.985 122.820 -0.448 0.000 2.608 34 A HA 0.373 4.693 4.320 -0.000 0.000 0.292 34 A C -1.514 175.900 177.584 -0.283 0.000 1.066 34 A CA -0.943 50.907 52.037 -0.310 0.000 0.676 34 A CB 1.088 19.842 19.000 -0.409 0.000 1.277 34 A HN 0.218 nan 8.150 nan 0.000 0.413 35 Q N 0.569 120.277 119.800 -0.154 0.000 2.337 35 Q HA 0.239 4.579 4.340 -0.000 0.000 0.270 35 Q C -2.177 173.731 176.000 -0.154 0.000 1.002 35 Q CA -1.358 54.377 55.803 -0.112 0.000 0.888 35 Q CB 0.307 29.012 28.738 -0.055 0.000 1.222 35 Q HN 0.355 nan 8.270 nan 0.000 0.400 36 P HA -0.023 nan 4.420 nan 0.000 0.261 36 P C -2.362 174.879 177.300 -0.098 0.000 1.183 36 P CA -0.648 62.382 63.100 -0.117 0.000 0.761 36 P CB 0.189 31.862 31.700 -0.045 0.000 0.785 37 P HA 0.058 nan 4.420 nan 0.000 0.231 37 P C -0.759 176.475 177.300 -0.111 0.000 1.756 37 P CA 0.468 63.503 63.100 -0.109 0.000 0.990 37 P CB -0.053 31.574 31.700 -0.121 0.000 1.973 38 L N -0.059 121.113 121.223 -0.084 0.000 2.332 38 L HA 0.668 5.008 4.340 -0.000 0.000 0.269 38 L C 1.602 178.431 176.870 -0.067 0.000 1.016 38 L CA -0.365 54.428 54.840 -0.078 0.000 0.809 38 L CB 0.885 42.915 42.059 -0.049 0.000 1.280 38 L HN 0.297 nan 8.230 nan 0.000 0.447 39 G N 1.557 110.318 108.800 -0.065 0.000 2.629 39 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.313 39 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.313 39 G C 0.857 175.734 174.900 -0.039 0.000 1.217 39 G CA 0.837 45.911 45.100 -0.044 0.000 0.994 39 G HN 0.915 nan 8.290 nan 0.000 0.549 40 R N 0.800 121.288 120.500 -0.020 0.000 2.241 40 R HA 0.220 4.560 4.340 -0.000 0.000 0.224 40 R C 2.487 178.779 176.300 -0.012 0.000 1.101 40 R CA 1.738 57.834 56.100 -0.006 0.000 0.995 40 R CB -0.386 29.913 30.300 -0.002 0.000 0.870 40 R HN 0.487 nan 8.270 nan 0.000 0.463 41 L N 0.875 122.076 121.223 -0.037 0.000 2.492 41 L HA 0.096 4.436 4.340 -0.000 0.000 0.223 41 L C 1.418 178.240 176.870 -0.080 0.000 1.132 41 L CA -0.067 54.744 54.840 -0.049 0.000 0.850 41 L CB -0.268 41.756 42.059 -0.058 0.000 0.966 41 L HN 0.188 nan 8.230 nan 0.000 0.454 42 R N 0.481 120.900 120.500 -0.135 0.000 2.538 42 R HA -0.110 4.230 4.340 -0.000 0.000 0.282 42 R C 0.033 176.202 176.300 -0.219 0.000 1.009 42 R CA 0.299 56.207 56.100 -0.319 0.000 1.063 42 R CB 0.185 30.192 30.300 -0.489 0.000 0.945 42 R HN 0.097 nan 8.270 nan 0.000 0.414 43 F N -0.052 119.860 119.950 -0.062 0.000 2.619 43 F HA -0.290 4.237 4.527 -0.000 0.000 0.425 43 F C 0.095 175.854 175.800 -0.068 0.000 0.575 43 F CA 1.086 59.044 58.000 -0.070 0.000 1.289 43 F CB -1.371 37.592 39.000 -0.062 0.000 1.859 43 F HN 0.592 nan 8.300 nan 0.000 0.280 44 K N 1.245 121.687 120.400 0.070 0.000 2.106 44 K HA 0.439 4.759 4.320 -0.000 0.000 0.246 44 K C 0.470 177.048 176.600 -0.037 0.000 0.987 44 K CA -0.994 55.300 56.287 0.011 0.000 0.904 44 K CB 1.046 33.541 32.500 -0.009 0.000 1.071 44 K HN -0.048 nan 8.250 nan 0.000 0.453 45 K N 2.551 122.898 120.400 -0.088 0.000 2.414 45 K HA 0.060 4.380 4.320 -0.000 0.000 0.272 45 K C -2.171 174.377 176.600 -0.087 0.000 0.993 45 K CA -1.219 54.985 56.287 -0.138 0.000 0.964 45 K CB -0.067 32.224 32.500 -0.349 0.000 0.925 45 K HN 0.419 nan 8.250 nan 0.000 0.487 46 P HA -0.063 nan 4.420 nan 0.000 0.264 46 P C -0.765 176.515 177.300 -0.033 0.000 1.193 46 P CA 0.242 63.322 63.100 -0.033 0.000 0.763 46 P CB 0.676 32.389 31.700 0.022 0.000 0.810 47 Q N 1.407 121.180 119.800 -0.046 0.000 2.230 47 Q HA 0.258 4.598 4.340 -0.000 0.000 0.248 47 Q C 0.340 176.333 176.000 -0.011 0.000 0.915 47 Q CA -0.506 55.279 55.803 -0.029 0.000 0.900 47 Q CB 1.039 29.758 28.738 -0.032 0.000 1.229 47 Q HN 0.409 nan 8.270 nan 0.000 0.439 48 S N 1.333 117.040 115.700 0.012 0.000 2.558 48 S HA 0.030 4.500 4.470 -0.000 0.000 0.288 48 S C 0.185 174.803 174.600 0.030 0.000 1.318 48 S CA -0.394 57.828 58.200 0.037 0.000 1.056 48 S CB 0.144 63.367 63.200 0.039 0.000 0.853 48 S HN 0.355 nan 8.310 nan 0.000 0.505 49 L N 3.425 124.679 121.223 0.053 0.000 2.417 49 L HA 0.269 4.609 4.340 -0.000 0.000 0.268 49 L C 0.754 177.674 176.870 0.084 0.000 1.158 49 L CA 0.543 55.420 54.840 0.063 0.000 0.819 49 L CB 0.857 42.972 42.059 0.092 0.000 1.112 49 L HN 0.599 nan 8.230 nan 0.000 0.458 50 T N 4.739 119.356 114.554 0.105 0.000 2.761 50 T HA 0.219 4.569 4.350 -0.000 0.000 0.296 50 T C 0.016 174.818 174.700 0.170 0.000 0.934 50 T CA -0.660 61.508 62.100 0.114 0.000 1.091 50 T CB -0.193 68.742 68.868 0.112 0.000 0.896 50 T HN 0.700 nan 8.240 nan 0.000 0.515 51 K N 4.414 124.860 120.400 0.077 0.000 2.414 51 K HA 0.308 4.628 4.320 -0.000 0.000 0.272 51 K C -0.208 176.470 176.600 0.131 0.000 0.993 51 K CA -0.648 55.631 56.287 -0.014 0.000 0.964 51 K CB 0.451 32.881 32.500 -0.117 0.000 0.925 51 K HN 0.653 nan 8.250 nan 0.000 0.487 52 W N 0.593 121.953 121.300 0.100 0.000 2.762 52 W HA 0.611 5.271 4.660 -0.000 0.000 0.355 52 W C -1.416 175.169 176.519 0.110 0.000 1.124 52 W CA -1.066 56.353 57.345 0.124 0.000 1.141 52 W CB 0.685 30.265 29.460 0.200 0.000 1.432 52 W HN 0.459 nan 8.180 nan 0.000 0.586 53 S N 1.557 117.523 115.700 0.443 0.000 2.568 53 S HA 0.673 5.143 4.470 -0.000 0.000 0.302 53 S C -1.247 173.584 174.600 0.385 0.000 1.082 53 S CA -0.442 57.933 58.200 0.292 0.000 1.009 53 S CB 1.477 64.780 63.200 0.171 0.000 1.069 53 S HN 0.629 nan 8.310 nan 0.000 0.500 54 D N -0.203 120.369 120.400 0.286 0.000 10.409 54 D HA -0.140 4.500 4.640 -0.000 0.000 0.354 54 D C -1.083 175.423 176.300 0.345 0.000 3.068 54 D CA 0.149 54.290 54.000 0.234 0.000 2.509 54 D CB -0.421 40.476 40.800 0.162 0.000 1.222 54 D HN 0.493 nan 8.370 nan 0.000 0.984 55 I N 0.463 121.177 120.570 0.240 0.000 2.331 55 I HA 0.204 4.374 4.170 -0.000 0.000 0.292 55 I C 0.208 176.457 176.117 0.222 0.000 0.998 55 I CA -0.670 60.807 61.300 0.295 0.000 1.267 55 I CB 1.066 39.183 38.000 0.194 0.000 1.386 55 I HN 0.247 nan 8.210 nan 0.000 0.476 56 W N 7.152 128.532 121.300 0.133 0.000 2.345 56 W HA 0.211 4.871 4.660 -0.000 0.000 0.308 56 W C -0.589 175.932 176.519 0.002 0.000 1.273 56 W CA -0.514 56.761 57.345 -0.117 0.000 1.243 56 W CB 0.662 29.872 29.460 -0.416 0.000 1.260 56 W HN 0.471 nan 8.180 nan 0.000 0.509 57 N N 4.831 123.377 118.700 -0.256 0.000 2.402 57 N HA 0.226 4.966 4.740 -0.000 0.000 0.252 57 N C 0.007 175.558 175.510 0.067 0.000 1.118 57 N CA 0.142 53.140 53.050 -0.086 0.000 0.945 57 N CB 1.296 39.660 38.487 -0.205 0.000 1.147 57 N HN 0.379 nan 8.380 nan 0.000 0.495 58 A N 1.665 124.649 122.820 0.273 0.000 3.249 58 A HA 0.240 4.560 4.320 -0.000 0.000 0.297 58 A C 0.910 178.507 177.584 0.023 0.000 1.302 58 A CA -0.565 51.636 52.037 0.273 0.000 1.074 58 A CB -0.592 18.648 19.000 0.400 0.000 1.132 58 A HN 0.535 nan 8.150 nan 0.000 0.575 59 T N -2.391 112.134 114.554 -0.049 0.000 3.132 59 T HA 0.354 4.704 4.350 -0.000 0.000 0.274 59 T C 0.116 174.718 174.700 -0.162 0.000 1.011 59 T CA -0.167 61.854 62.100 -0.132 0.000 0.899 59 T CB -0.553 68.245 68.868 -0.117 0.000 1.089 59 T HN 0.699 nan 8.240 nan 0.000 0.543 60 K N -0.063 120.243 120.400 -0.156 0.000 2.568 60 K HA 0.435 4.755 4.320 -0.000 0.000 0.273 60 K C -1.688 174.831 176.600 -0.135 0.000 0.951 60 K CA -1.044 55.142 56.287 -0.168 0.000 0.854 60 K CB 0.761 33.206 32.500 -0.092 0.000 1.424 60 K HN -0.070 nan 8.250 nan 0.000 0.427 61 Y N 1.204 121.476 120.300 -0.047 0.000 2.683 61 Y HA 0.200 4.750 4.550 -0.000 0.000 0.340 61 Y C 1.148 176.992 175.900 -0.093 0.000 1.245 61 Y CA 0.856 58.931 58.100 -0.042 0.000 1.485 61 Y CB 0.635 39.090 38.460 -0.008 0.000 1.328 61 Y HN 0.796 nan 8.280 nan 0.000 0.603 62 A N 2.769 125.616 122.820 0.044 0.000 2.301 62 A HA 0.342 4.661 4.320 -0.000 0.000 0.287 62 A C 0.085 177.609 177.584 -0.100 0.000 1.274 62 A CA -0.927 50.983 52.037 -0.212 0.000 0.865 62 A CB 0.138 18.727 19.000 -0.686 0.000 1.324 62 A HN 0.787 nan 8.150 nan 0.000 0.508 63 N N 0.374 118.986 118.700 -0.148 0.000 2.453 63 N HA 0.195 4.935 4.740 -0.000 0.000 0.253 63 N C -0.291 175.239 175.510 0.032 0.000 1.252 63 N CA 0.327 53.358 53.050 -0.032 0.000 0.917 63 N CB 0.546 39.031 38.487 -0.002 0.000 1.117 63 N HN 0.486 nan 8.380 nan 0.000 0.442 64 S N 0.491 116.197 115.700 0.009 0.000 2.617 64 S HA 0.321 4.791 4.470 -0.000 0.000 0.283 64 S C 0.263 174.873 174.600 0.016 0.000 1.189 64 S CA -0.776 57.425 58.200 0.002 0.000 1.036 64 S CB 0.904 64.071 63.200 -0.055 0.000 1.014 64 S HN 0.490 nan 8.310 nan 0.000 0.522 65 c N 1.889 120.502 118.600 0.022 0.000 2.689 65 c HA 0.186 4.756 4.570 -0.000 0.000 0.409 65 c C 1.170 175.264 174.090 0.006 0.000 1.293 65 c CA -1.050 55.293 56.329 0.022 0.000 2.136 65 c CB -0.969 41.560 42.510 0.031 0.000 2.719 65 c HN 0.842 nan 8.230 nan 0.000 0.644 66 C N 3.798 123.101 119.300 0.005 0.000 2.538 66 C HA 0.369 4.829 4.460 -0.000 0.000 0.408 66 C C 0.344 175.346 174.990 0.020 0.000 1.421 66 C CA 0.196 59.217 59.018 0.005 0.000 1.642 66 C CB -1.885 25.852 27.740 -0.005 0.000 2.553 66 C HN 0.968 nan 8.230 nan 0.000 0.604 67 Q N 2.232 122.045 119.800 0.021 0.000 2.594 67 Q HA 0.346 4.686 4.340 -0.000 0.000 0.278 67 Q C -1.581 174.438 176.000 0.031 0.000 0.961 67 Q CA -0.800 55.024 55.803 0.036 0.000 0.844 67 Q CB 0.823 29.577 28.738 0.026 0.000 1.475 67 Q HN 0.642 nan 8.270 nan 0.000 0.389 68 N N 0.934 119.659 118.700 0.041 0.000 2.482 68 N HA 0.370 5.110 4.740 -0.000 0.000 0.260 68 N C -0.773 174.755 175.510 0.030 0.000 1.236 68 N CA 0.069 53.139 53.050 0.034 0.000 0.938 68 N CB 0.599 39.104 38.487 0.031 0.000 1.128 68 N HN 0.432 nan 8.380 nan 0.000 0.448 69 I N 0.511 121.100 120.570 0.030 0.000 2.607 69 I HA 0.071 4.241 4.170 -0.000 0.000 0.305 69 I C 0.387 176.538 176.117 0.056 0.000 0.995 69 I CA -0.717 60.606 61.300 0.038 0.000 1.148 69 I CB 1.112 39.130 38.000 0.030 0.000 1.323 69 I HN 0.342 nan 8.210 nan 0.000 0.461 70 D N 3.937 124.388 120.400 0.085 0.000 2.371 70 D HA 0.124 4.764 4.640 -0.000 0.000 0.256 70 D C -0.219 176.153 176.300 0.120 0.000 1.193 70 D CA 0.408 54.489 54.000 0.135 0.000 0.881 70 D CB 0.701 41.633 40.800 0.220 0.000 1.143 70 D HN 0.468 nan 8.370 nan 0.000 0.473 71 Q N 1.855 121.699 119.800 0.074 0.000 2.110 71 Q HA 0.166 4.506 4.340 -0.000 0.000 0.232 71 Q C 0.905 176.862 176.000 -0.071 0.000 0.810 71 Q CA -0.217 55.602 55.803 0.027 0.000 1.083 71 Q CB 0.730 29.477 28.738 0.014 0.000 1.193 71 Q HN 0.315 nan 8.270 nan 0.000 0.471 72 S N 0.082 115.677 115.700 -0.176 0.000 2.489 72 S HA 0.057 4.527 4.470 -0.000 0.000 0.228 72 S C -0.028 173.956 174.600 -1.027 0.000 0.995 72 S CA 0.694 58.501 58.200 -0.656 0.000 0.934 72 S CB 0.177 62.798 63.200 -0.965 0.000 0.771 72 S HN 0.299 nan 8.310 nan 0.000 0.522 73 F N 0.746 120.751 119.950 0.091 0.000 2.708 73 F HA 0.384 4.911 4.527 -0.000 0.000 0.344 73 F C -3.023 172.840 175.800 0.105 0.000 1.447 73 F CA -2.920 55.122 58.000 0.069 0.000 1.140 73 F CB 0.060 39.116 39.000 0.094 0.000 1.657 73 F HN -0.197 nan 8.300 nan 0.000 0.598 74 P HA 0.154 nan 4.420 nan 0.000 0.264 74 P C 1.059 178.443 177.300 0.141 0.000 1.183 74 P CA 1.381 64.554 63.100 0.122 0.000 0.763 74 P CB 0.749 32.488 31.700 0.066 0.000 0.807 75 G N 1.755 110.623 108.800 0.114 0.000 2.184 75 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.264 75 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.264 75 G C -0.066 174.923 174.900 0.149 0.000 0.975 75 G CA -0.317 44.841 45.100 0.097 0.000 0.642 75 G HN 0.531 nan 8.290 nan 0.000 0.536 76 F N 1.953 121.900 119.950 -0.004 0.000 2.405 76 F HA 0.579 5.105 4.527 -0.000 0.000 0.355 76 F C 1.266 177.009 175.800 -0.095 0.000 1.121 76 F CA -1.083 56.867 58.000 -0.085 0.000 1.112 76 F CB 0.552 39.467 39.000 -0.141 0.000 1.126 76 F HN 0.167 nan 8.300 nan 0.000 0.481 77 H N 4.102 122.757 119.070 -0.692 0.000 2.457 77 H HA -0.070 4.486 4.556 -0.000 0.000 0.294 77 H C 1.898 176.716 175.328 -0.850 0.000 1.064 77 H CA 1.373 57.036 56.048 -0.642 0.000 1.330 77 H CB 0.166 29.628 29.762 -0.500 0.000 1.395 77 H HN 0.875 nan 8.280 nan 0.000 0.541 78 G N -0.160 107.566 108.800 -1.790 0.000 2.440 78 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.218 78 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.218 78 G C 1.937 176.741 174.900 -0.160 0.000 1.154 78 G CA 1.355 45.631 45.100 -1.372 0.000 0.767 78 G HN 0.554 nan 8.290 nan 0.000 0.552 79 S N -0.343 115.327 115.700 -0.050 0.000 2.468 79 S HA 0.147 4.617 4.470 -0.000 0.000 0.226 79 S C 1.830 176.558 174.600 0.213 0.000 1.051 79 S CA 0.689 59.195 58.200 0.511 0.000 0.943 79 S CB -0.027 63.663 63.200 0.817 0.000 0.810 79 S HN 0.455 nan 8.310 nan 0.000 0.509 80 E N 2.087 122.265 120.200 -0.037 0.000 2.204 80 E HA -0.098 4.252 4.350 -0.000 0.000 0.194 80 E C 2.083 178.501 176.600 -0.302 0.000 0.989 80 E CA 1.341 57.678 56.400 -0.106 0.000 0.824 80 E CB -0.456 29.191 29.700 -0.088 0.000 0.756 80 E HN 0.812 nan 8.360 nan 0.000 0.477 81 M N -1.562 117.647 119.600 -0.651 0.000 2.446 81 M HA -0.108 4.372 4.480 -0.000 0.000 0.263 81 M C 1.096 176.911 176.300 -0.809 0.000 1.066 81 M CA 1.479 56.240 55.300 -0.899 0.000 1.087 81 M CB -0.469 31.343 32.600 -1.314 0.000 1.406 81 M HN 0.052 nan 8.290 nan 0.000 0.459 82 W N 1.167 122.348 121.300 -0.199 0.000 3.114 82 W HA 0.247 4.907 4.660 -0.000 0.000 0.279 82 W C 0.410 176.844 176.519 -0.143 0.000 1.277 82 W CA -0.922 56.320 57.345 -0.172 0.000 1.630 82 W CB -0.123 29.274 29.460 -0.105 0.000 1.087 82 W HN 0.110 nan 8.180 nan 0.000 0.637 83 N N 1.727 120.445 118.700 0.030 0.000 2.482 83 N HA 0.110 4.850 4.740 -0.000 0.000 0.260 83 N C -2.423 173.048 175.510 -0.066 0.000 1.236 83 N CA -1.225 51.827 53.050 0.003 0.000 0.938 83 N CB -0.149 38.341 38.487 0.004 0.000 1.128 83 N HN -0.325 nan 8.380 nan 0.000 0.448 84 P HA 0.016 nan 4.420 nan 0.000 0.264 84 P C 0.201 177.441 177.300 -0.100 0.000 1.183 84 P CA 0.081 63.122 63.100 -0.098 0.000 0.763 84 P CB 0.283 31.938 31.700 -0.076 0.000 0.807 85 N N 0.281 118.903 118.700 -0.129 0.000 2.328 85 N HA 0.113 4.853 4.740 -0.000 0.000 0.247 85 N C -0.647 174.809 175.510 -0.091 0.000 1.165 85 N CA -0.180 52.801 53.050 -0.114 0.000 0.873 85 N CB 0.204 38.604 38.487 -0.145 0.000 1.125 85 N HN 0.156 nan 8.380 nan 0.000 0.513 86 T N -0.196 114.310 114.554 -0.079 0.000 2.923 86 T HA 0.146 4.496 4.350 -0.000 0.000 0.311 86 T C -1.531 173.145 174.700 -0.041 0.000 1.183 86 T CA -0.583 61.487 62.100 -0.051 0.000 1.020 86 T CB 1.910 70.747 68.868 -0.052 0.000 1.165 86 T HN -0.018 nan 8.240 nan 0.000 0.482 87 D N 2.355 122.736 120.400 -0.030 0.000 2.583 87 D HA 0.082 4.722 4.640 -0.000 0.000 0.232 87 D C 0.136 176.423 176.300 -0.021 0.000 1.128 87 D CA 0.602 54.587 54.000 -0.025 0.000 0.859 87 D CB 0.504 41.288 40.800 -0.025 0.000 1.169 87 D HN 0.323 nan 8.370 nan 0.000 0.481 88 L N 1.731 122.944 121.223 -0.016 0.000 2.395 88 L HA 0.377 4.717 4.340 -0.000 0.000 0.269 88 L C 0.745 177.613 176.870 -0.003 0.000 1.133 88 L CA -0.041 54.793 54.840 -0.009 0.000 0.812 88 L CB 1.208 43.262 42.059 -0.008 0.000 1.125 88 L HN 0.273 nan 8.230 nan 0.000 0.452 89 S N 0.207 115.910 115.700 0.006 0.000 2.597 89 S HA 0.153 4.623 4.470 -0.000 0.000 0.274 89 S C 0.100 174.707 174.600 0.012 0.000 1.132 89 S CA -0.641 57.564 58.200 0.009 0.000 0.835 89 S CB 1.477 64.689 63.200 0.020 0.000 1.092 89 S HN 0.750 nan 8.310 nan 0.000 0.457 90 E N 0.672 120.868 120.200 -0.006 0.000 2.208 90 E HA -0.059 4.291 4.350 -0.000 0.000 0.193 90 E C -0.295 176.303 176.600 -0.004 0.000 0.988 90 E CA 0.521 56.904 56.400 -0.029 0.000 0.828 90 E CB 0.083 29.744 29.700 -0.065 0.000 0.763 90 E HN 0.523 nan 8.360 nan 0.000 0.478 91 D N 0.393 120.816 120.400 0.038 0.000 2.470 91 D HA -0.011 4.629 4.640 -0.000 0.000 0.226 91 D C 0.041 176.479 176.300 0.231 0.000 1.196 91 D CA -0.245 53.815 54.000 0.101 0.000 0.979 91 D CB -0.053 40.824 40.800 0.128 0.000 1.059 91 D HN 0.129 nan 8.370 nan 0.000 0.515 92 c N 2.486 121.191 118.600 0.175 0.000 3.772 92 c HA 0.376 4.946 4.570 -0.000 0.000 0.293 92 c C 0.669 174.889 174.090 0.217 0.000 1.659 92 c CA -0.688 55.809 56.329 0.279 0.000 1.810 92 c CB -1.292 41.305 42.510 0.145 0.000 3.059 92 c HN 0.431 nan 8.230 nan 0.000 0.617 93 L N 2.540 123.653 121.223 -0.182 0.000 2.384 93 L HA 0.388 4.728 4.340 -0.000 0.000 0.258 93 L C -0.812 175.583 176.870 -0.791 0.000 1.266 93 L CA 0.542 55.085 54.840 -0.495 0.000 1.162 93 L CB -0.775 40.800 42.059 -0.806 0.000 1.375 93 L HN 0.381 nan 8.230 nan 0.000 0.420 94 Y N 1.877 122.226 120.300 0.082 0.000 2.605 94 Y HA 0.711 5.261 4.550 -0.000 0.000 0.343 94 Y C -0.085 175.955 175.900 0.233 0.000 1.036 94 Y CA -1.270 56.905 58.100 0.125 0.000 1.065 94 Y CB 1.897 40.386 38.460 0.047 0.000 1.288 94 Y HN 0.170 nan 8.280 nan 0.000 0.481 95 L N -0.493 120.838 121.223 0.182 0.000 2.359 95 L HA 0.760 5.100 4.340 -0.000 0.000 0.256 95 L C -1.383 175.447 176.870 -0.067 0.000 1.026 95 L CA -1.236 53.605 54.840 0.002 0.000 0.828 95 L CB 1.712 43.601 42.059 -0.285 0.000 1.406 95 L HN 0.476 nan 8.230 nan 0.000 0.413 96 N N -0.055 118.608 118.700 -0.061 0.000 2.292 96 N HA 0.798 5.538 4.740 -0.000 0.000 0.303 96 N C -1.475 173.881 175.510 -0.257 0.000 1.140 96 N CA -0.455 52.460 53.050 -0.225 0.000 0.788 96 N CB 2.872 41.181 38.487 -0.297 0.000 1.361 96 N HN 0.522 nan 8.380 nan 0.000 0.489 97 V N 1.026 120.712 119.914 -0.380 0.000 2.623 97 V HA 0.437 4.556 4.120 -0.000 0.000 0.304 97 V C -1.050 174.960 176.094 -0.140 0.000 1.054 97 V CA -0.794 61.406 62.300 -0.167 0.000 0.882 97 V CB 2.444 34.104 31.823 -0.271 0.000 1.002 97 V HN 0.575 nan 8.190 nan 0.000 0.424 98 W N 6.054 127.445 121.300 0.152 0.000 2.411 98 W HA 0.703 5.362 4.660 -0.000 0.000 0.317 98 W C -0.409 176.205 176.519 0.158 0.000 1.030 98 W CA -0.526 56.909 57.345 0.150 0.000 1.239 98 W CB 2.080 31.596 29.460 0.092 0.000 1.304 98 W HN 0.635 nan 8.180 nan 0.000 0.437 99 I N 1.876 122.676 120.570 0.384 0.000 2.646 99 I HA 0.650 4.820 4.170 -0.000 0.000 0.299 99 I C -2.611 173.654 176.117 0.246 0.000 1.036 99 I CA -3.033 58.450 61.300 0.304 0.000 1.074 99 I CB 2.172 40.377 38.000 0.342 0.000 1.258 99 I HN -0.050 nan 8.210 nan 0.000 0.430 100 P HA 0.307 nan 4.420 nan 0.000 0.272 100 P C -1.166 176.217 177.300 0.138 0.000 1.240 100 P CA -0.312 62.876 63.100 0.145 0.000 0.791 100 P CB 0.773 32.545 31.700 0.119 0.000 0.978 101 A N 1.575 124.461 122.820 0.111 0.000 2.398 101 A HA 0.641 4.961 4.320 -0.000 0.000 0.301 101 A C -2.486 175.146 177.584 0.079 0.000 1.041 101 A CA -1.407 50.688 52.037 0.096 0.000 0.711 101 A CB 0.385 19.437 19.000 0.086 0.000 1.240 101 A HN 0.418 nan 8.150 nan 0.000 0.420 102 P HA 0.092 nan 4.420 nan 0.000 0.270 102 P C -0.309 177.042 177.300 0.086 0.000 1.223 102 P CA -0.319 62.824 63.100 0.073 0.000 0.785 102 P CB 0.551 32.286 31.700 0.059 0.000 0.923 103 K N 2.874 123.330 120.400 0.092 0.000 2.530 103 K HA 0.002 4.322 4.320 -0.000 0.000 0.280 103 K C -1.681 174.972 176.600 0.088 0.000 1.004 103 K CA -0.797 55.552 56.287 0.104 0.000 1.071 103 K CB -0.165 32.390 32.500 0.093 0.000 0.876 103 K HN 0.367 nan 8.250 nan 0.000 0.487 104 P HA 0.096 nan 4.420 nan 0.000 0.277 104 P C -0.655 176.686 177.300 0.068 0.000 1.271 104 P CA -0.231 62.917 63.100 0.081 0.000 0.795 104 P CB 0.886 32.640 31.700 0.090 0.000 1.101 105 K N -0.616 119.818 120.400 0.056 0.000 2.365 105 K HA 0.117 4.437 4.320 -0.000 0.000 0.195 105 K C 0.409 177.034 176.600 0.041 0.000 1.079 105 K CA 0.503 56.816 56.287 0.044 0.000 0.979 105 K CB 0.217 32.739 32.500 0.036 0.000 0.929 105 K HN 0.318 nan 8.250 nan 0.000 0.523 106 N N 0.280 119.007 118.700 0.044 0.000 2.820 106 N HA 0.174 4.914 4.740 -0.000 0.000 0.209 106 N C -1.785 173.748 175.510 0.038 0.000 1.406 106 N CA -0.085 52.988 53.050 0.038 0.000 0.916 106 N CB 0.847 39.352 38.487 0.030 0.000 1.532 106 N HN 0.120 nan 8.380 nan 0.000 0.559 107 A N 0.073 122.921 122.820 0.047 0.000 2.322 107 A HA 0.595 4.915 4.320 -0.000 0.000 0.269 107 A C 0.496 178.094 177.584 0.024 0.000 1.094 107 A CA 0.030 52.091 52.037 0.040 0.000 0.807 107 A CB 0.267 19.304 19.000 0.061 0.000 1.047 107 A HN 0.302 nan 8.150 nan 0.000 0.487 108 T N 1.014 115.564 114.554 -0.007 0.000 2.918 108 T HA 0.414 4.764 4.350 -0.000 0.000 0.302 108 T C -0.001 174.700 174.700 0.001 0.000 1.045 108 T CA 0.022 62.104 62.100 -0.030 0.000 1.114 108 T CB 0.545 69.352 68.868 -0.102 0.000 0.965 108 T HN 0.422 nan 8.240 nan 0.000 0.540 109 V N 4.586 124.508 119.914 0.015 0.000 2.459 109 V HA 0.428 4.548 4.120 -0.000 0.000 0.295 109 V C -0.100 176.027 176.094 0.054 0.000 1.029 109 V CA -0.787 61.546 62.300 0.054 0.000 0.874 109 V CB 1.414 33.282 31.823 0.076 0.000 0.985 109 V HN 0.679 nan 8.190 nan 0.000 0.438 110 L N 5.955 127.227 121.223 0.082 0.000 2.280 110 L HA 0.575 4.915 4.340 -0.000 0.000 0.287 110 L C -0.628 176.449 176.870 0.345 0.000 1.023 110 L CA -0.268 54.624 54.840 0.087 0.000 0.819 110 L CB 1.465 43.453 42.059 -0.119 0.000 1.212 110 L HN 0.514 nan 8.230 nan 0.000 0.420 111 I N 3.347 124.156 120.570 0.398 0.000 2.328 111 I HA 0.189 4.359 4.170 -0.000 0.000 0.287 111 I C -0.380 176.031 176.117 0.491 0.000 1.012 111 I CA -0.377 61.153 61.300 0.383 0.000 1.195 111 I CB 1.164 39.259 38.000 0.158 0.000 1.350 111 I HN 0.633 nan 8.210 nan 0.000 0.464 112 W N 8.535 129.955 121.300 0.200 0.000 2.315 112 W HA 0.538 5.198 4.660 -0.000 0.000 0.316 112 W C -1.385 175.025 176.519 -0.182 0.000 1.211 112 W CA -0.537 56.670 57.345 -0.230 0.000 1.201 112 W CB 1.153 30.499 29.460 -0.190 0.000 1.184 112 W HN 0.343 nan 8.180 nan 0.000 0.544 113 I N 8.986 128.885 120.570 -1.117 0.000 2.448 113 I HA 0.052 4.222 4.170 -0.000 0.000 0.281 113 I C -0.363 174.931 176.117 -1.372 0.000 1.027 113 I CA -1.076 59.649 61.300 -0.958 0.000 1.111 113 I CB 0.740 38.348 38.000 -0.653 0.000 1.236 113 I HN 0.297 nan 8.210 nan 0.000 0.452 114 Y N 4.463 124.248 120.300 -0.858 0.000 2.426 114 Y HA 0.647 5.197 4.550 -0.000 0.000 0.344 114 Y C 0.790 176.519 175.900 -0.285 0.000 1.256 114 Y CA -0.687 57.051 58.100 -0.604 0.000 1.451 114 Y CB -0.048 38.317 38.460 -0.157 0.000 1.342 114 Y HN 0.496 nan 8.280 nan 0.000 0.600 115 G N -0.880 107.929 108.800 0.014 0.000 2.583 115 G HA2 0.495 4.455 3.960 -0.000 0.000 0.280 115 G HA3 0.495 4.455 3.960 -0.000 0.000 0.280 115 G C 0.272 175.206 174.900 0.057 0.000 1.376 115 G CA -0.917 44.143 45.100 -0.067 0.000 1.043 115 G HN 1.704 nan 8.290 nan 0.000 0.538 116 G N -2.855 105.882 108.800 -0.106 0.000 2.332 116 G HA2 0.414 4.374 3.960 -0.000 0.000 0.216 116 G HA3 0.414 4.374 3.960 -0.000 0.000 0.216 116 G C 0.992 175.821 174.900 -0.118 0.000 1.041 116 G CA 0.718 45.770 45.100 -0.080 0.000 0.836 116 G HN 2.295 nan 8.290 nan 0.000 0.530 117 G N -0.304 108.338 108.800 -0.262 0.000 2.233 117 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.270 117 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.270 117 G C 0.897 175.799 174.900 0.003 0.000 1.011 117 G CA 0.689 45.650 45.100 -0.232 0.000 0.762 117 G HN 1.748 nan 8.290 nan 0.000 0.511 118 F N -2.908 117.062 119.950 0.034 0.000 2.973 118 F HA -0.298 4.229 4.527 -0.000 0.000 0.299 118 F C 1.789 177.655 175.800 0.109 0.000 0.737 118 F CA 1.749 59.760 58.000 0.019 0.000 1.151 118 F CB -1.191 37.579 39.000 -0.383 0.000 1.440 118 F HN 0.444 nan 8.300 nan 0.000 0.367 119 Q N -0.868 119.064 119.800 0.220 0.000 2.322 119 Q HA 0.251 4.591 4.340 -0.000 0.000 0.250 119 Q C 1.138 177.218 176.000 0.135 0.000 0.853 119 Q CA 1.382 57.303 55.803 0.197 0.000 0.951 119 Q CB 0.971 29.790 28.738 0.136 0.000 1.114 119 Q HN 0.553 nan 8.270 nan 0.000 0.523 120 T N -2.884 111.726 114.554 0.093 0.000 2.696 120 T HA 0.785 5.135 4.350 -0.000 0.000 0.291 120 T C 0.077 174.788 174.700 0.017 0.000 1.095 120 T CA -0.375 61.748 62.100 0.039 0.000 1.026 120 T CB 2.321 71.195 68.868 0.011 0.000 1.390 120 T HN 0.353 nan 8.240 nan 0.000 0.513 121 G N -0.861 107.873 108.800 -0.111 0.000 2.515 121 G HA2 0.419 4.379 3.960 -0.000 0.000 0.686 121 G HA3 0.419 4.379 3.960 -0.000 0.000 0.686 121 G C -0.525 173.822 174.900 -0.920 0.000 1.274 121 G CA -0.024 44.849 45.100 -0.377 0.000 0.874 121 G HN 1.696 nan 8.290 nan 0.000 0.631 122 T N -1.646 112.166 114.554 -1.237 0.000 2.893 122 T HA 0.650 5.000 4.350 -0.000 0.000 0.337 122 T C 1.250 175.695 174.700 -0.425 0.000 1.587 122 T CA 0.945 62.499 62.100 -0.909 0.000 1.066 122 T CB 1.013 69.675 68.868 -0.343 0.000 1.414 122 T HN 2.124 nan 8.240 nan 0.000 0.488 123 S N 0.905 116.627 115.700 0.036 0.000 2.603 123 S HA 0.063 4.533 4.470 -0.000 0.000 0.220 123 S C 1.624 176.335 174.600 0.184 0.000 0.967 123 S CA 0.769 59.199 58.200 0.382 0.000 0.920 123 S CB -0.294 63.208 63.200 0.504 0.000 0.773 123 S HN 0.821 nan 8.310 nan 0.000 0.529 124 S N 0.983 116.579 115.700 -0.172 0.000 2.575 124 S HA 0.347 4.817 4.470 -0.000 0.000 0.215 124 S C 0.548 174.798 174.600 -0.583 0.000 0.966 124 S CA -0.625 57.089 58.200 -0.810 0.000 0.911 124 S CB -0.612 62.001 63.200 -0.979 0.000 0.780 124 S HN 0.474 nan 8.310 nan 0.000 0.514 125 L N 2.017 123.048 121.223 -0.319 0.000 2.483 125 L HA 0.085 4.425 4.340 -0.000 0.000 0.275 125 L C 2.223 178.847 176.870 -0.411 0.000 1.220 125 L CA -0.050 54.528 54.840 -0.436 0.000 0.833 125 L CB 0.151 41.772 42.059 -0.730 0.000 1.102 125 L HN 0.390 nan 8.230 nan 0.000 0.490 126 H N 2.184 120.996 119.070 -0.431 0.000 2.387 126 H HA -0.113 4.443 4.556 -0.000 0.000 0.299 126 H C 1.658 176.755 175.328 -0.384 0.000 1.090 126 H CA 2.137 58.000 56.048 -0.308 0.000 1.332 126 H CB 0.475 30.097 29.762 -0.234 0.000 1.386 126 H HN 0.563 nan 8.280 nan 0.000 0.516 127 V N -1.176 118.370 119.914 -0.613 0.000 3.444 127 V HA -0.106 4.014 4.120 -0.000 0.000 0.271 127 V C 0.668 176.193 176.094 -0.948 0.000 1.188 127 V CA 0.804 62.699 62.300 -0.676 0.000 1.168 127 V CB -1.136 30.323 31.823 -0.606 0.000 0.810 127 V HN 0.252 nan 8.190 nan 0.000 0.500 128 Y N -0.331 119.384 120.300 -0.975 0.000 2.636 128 Y HA 0.461 5.011 4.550 -0.000 0.000 0.260 128 Y C 0.811 176.054 175.900 -1.096 0.000 1.177 128 Y CA -1.990 55.139 58.100 -1.619 0.000 1.209 128 Y CB -0.480 37.478 38.460 -0.837 0.000 1.166 128 Y HN 0.227 nan 8.280 nan 0.000 0.531 129 D N 0.852 120.867 120.400 -0.641 0.000 2.382 129 D HA 0.057 4.697 4.640 -0.000 0.000 0.259 129 D C 1.358 177.185 176.300 -0.788 0.000 1.224 129 D CA 0.499 54.156 54.000 -0.572 0.000 0.894 129 D CB 1.425 41.956 40.800 -0.449 0.000 1.127 129 D HN 0.487 nan 8.370 nan 0.000 0.487 130 G N 3.816 111.602 108.800 -1.691 0.000 2.920 130 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.208 130 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.208 130 G C 1.415 175.671 174.900 -1.073 0.000 1.159 130 G CA 0.228 44.617 45.100 -1.185 0.000 0.784 130 G HN 0.588 nan 8.290 nan 0.000 0.535 131 K N -0.005 119.585 120.400 -1.350 0.000 2.209 131 K HA -0.033 4.287 4.320 -0.000 0.000 0.204 131 K C 1.693 177.996 176.600 -0.495 0.000 1.048 131 K CA 0.772 56.628 56.287 -0.718 0.000 0.940 131 K CB -0.472 31.677 32.500 -0.585 0.000 0.729 131 K HN 0.354 nan 8.250 nan 0.000 0.451 132 F N 1.679 121.462 119.950 -0.279 0.000 2.163 132 F HA -0.034 4.493 4.527 -0.000 0.000 0.297 132 F C 2.267 178.017 175.800 -0.084 0.000 1.094 132 F CA 0.550 58.436 58.000 -0.191 0.000 1.290 132 F CB -0.221 38.697 39.000 -0.136 0.000 1.017 132 F HN -0.142 nan 8.300 nan 0.000 0.483 133 L N -0.194 121.059 121.223 0.051 0.000 2.093 133 L HA -0.166 4.174 4.340 -0.000 0.000 0.208 133 L C 2.741 179.629 176.870 0.030 0.000 1.085 133 L CA 1.009 55.856 54.840 0.011 0.000 0.755 133 L CB -0.870 41.145 42.059 -0.073 0.000 0.904 133 L HN 0.130 nan 8.230 nan 0.000 0.435 134 A N 0.093 122.926 122.820 0.021 0.000 1.933 134 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 134 A C 2.328 179.962 177.584 0.083 0.000 1.175 134 A CA 1.878 53.964 52.037 0.081 0.000 0.628 134 A CB -0.405 18.682 19.000 0.145 0.000 0.814 134 A HN 0.317 nan 8.150 nan 0.000 0.444 135 R N -0.254 120.287 120.500 0.068 0.000 2.052 135 R HA -0.010 4.330 4.340 -0.000 0.000 0.226 135 R C 1.794 178.182 176.300 0.146 0.000 1.145 135 R CA 2.177 58.338 56.100 0.102 0.000 0.952 135 R CB -1.046 29.299 30.300 0.075 0.000 0.847 135 R HN 0.189 nan 8.270 nan 0.000 0.431 136 V N 1.063 121.085 119.914 0.179 0.000 2.427 136 V HA -0.074 4.046 4.120 -0.000 0.000 0.248 136 V C 1.404 177.556 176.094 0.097 0.000 1.051 136 V CA 1.866 64.262 62.300 0.161 0.000 1.048 136 V CB -0.377 31.552 31.823 0.176 0.000 0.666 136 V HN 0.342 nan 8.190 nan 0.000 0.456 137 E N -0.842 119.403 120.200 0.075 0.000 2.526 137 E HA 0.224 4.574 4.350 -0.000 0.000 0.208 137 E C 0.493 177.123 176.600 0.050 0.000 0.997 137 E CA -0.253 56.178 56.400 0.052 0.000 0.961 137 E CB 0.375 30.090 29.700 0.025 0.000 1.030 137 E HN 0.419 nan 8.360 nan 0.000 0.483 138 R N 0.330 120.869 120.500 0.066 0.000 3.641 138 R HA -0.143 4.197 4.340 -0.000 0.000 0.286 138 R C 0.239 176.575 176.300 0.060 0.000 1.153 138 R CA 0.791 56.933 56.100 0.071 0.000 0.775 138 R CB -2.413 27.928 30.300 0.069 0.000 1.215 138 R HN 0.085 nan 8.270 nan 0.000 0.474 139 V N -2.318 117.628 119.914 0.052 0.000 2.850 139 V HA 0.656 4.775 4.120 -0.000 0.000 0.315 139 V C 0.888 177.036 176.094 0.090 0.000 1.064 139 V CA -1.041 61.285 62.300 0.042 0.000 0.979 139 V CB 2.446 34.267 31.823 -0.004 0.000 1.039 139 V HN 0.115 nan 8.190 nan 0.000 0.452 140 I N 2.151 122.783 120.570 0.104 0.000 2.365 140 I HA 0.420 4.590 4.170 -0.000 0.000 0.291 140 I C -0.536 175.694 176.117 0.190 0.000 1.004 140 I CA -0.522 60.875 61.300 0.161 0.000 1.311 140 I CB 1.757 39.842 38.000 0.141 0.000 1.401 140 I HN 0.431 nan 8.210 nan 0.000 0.491 141 V N 7.516 127.609 119.914 0.297 0.000 2.417 141 V HA 0.433 4.552 4.120 -0.000 0.000 0.291 141 V C -0.063 176.334 176.094 0.506 0.000 1.024 141 V CA -0.585 61.946 62.300 0.385 0.000 0.861 141 V CB 1.875 33.915 31.823 0.361 0.000 0.985 141 V HN 0.387 nan 8.190 nan 0.000 0.436 142 V N 3.999 124.168 119.914 0.424 0.000 2.680 142 V HA 0.852 4.972 4.120 -0.000 0.000 0.309 142 V C -0.142 176.199 176.094 0.413 0.000 1.052 142 V CA -0.336 62.168 62.300 0.340 0.000 0.908 142 V CB 2.341 34.275 31.823 0.185 0.000 1.001 142 V HN 1.029 nan 8.190 nan 0.000 0.431 143 S N 4.807 120.730 115.700 0.372 0.000 2.556 143 S HA 0.908 5.378 4.470 -0.000 0.000 0.271 143 S C -0.996 173.752 174.600 0.247 0.000 1.135 143 S CA -0.807 57.631 58.200 0.396 0.000 0.858 143 S CB 2.422 65.992 63.200 0.616 0.000 1.114 143 S HN 0.990 nan 8.310 nan 0.000 0.468 144 M N 0.977 120.707 119.600 0.218 0.000 2.631 144 M HA 0.592 5.072 4.480 -0.000 0.000 0.288 144 M C -2.009 174.519 176.300 0.379 0.000 1.260 144 M CA -0.412 55.004 55.300 0.194 0.000 0.842 144 M CB 0.736 33.297 32.600 -0.065 0.000 1.743 144 M HN 0.799 nan 8.290 nan 0.000 0.461 145 N N 1.112 120.071 118.700 0.433 0.000 2.456 145 N HA 0.690 5.429 4.740 -0.000 0.000 0.288 145 N C -1.768 174.005 175.510 0.438 0.000 1.059 145 N CA -0.431 52.899 53.050 0.466 0.000 0.946 145 N CB 1.439 40.133 38.487 0.345 0.000 1.150 145 N HN 0.659 nan 8.380 nan 0.000 0.479 146 Y N -1.239 119.245 120.300 0.307 0.000 2.512 146 Y HA 0.505 5.055 4.550 -0.000 0.000 0.348 146 Y C -0.295 175.731 175.900 0.209 0.000 0.990 146 Y CA -1.457 56.764 58.100 0.202 0.000 1.033 146 Y CB 0.752 39.271 38.460 0.098 0.000 1.259 146 Y HN 0.213 nan 8.280 nan 0.000 0.461 147 R N 1.941 122.562 120.500 0.202 0.000 2.585 147 R HA 0.401 4.741 4.340 -0.000 0.000 0.275 147 R C -0.291 176.136 176.300 0.212 0.000 1.018 147 R CA 0.125 56.287 56.100 0.103 0.000 1.072 147 R CB 0.544 30.849 30.300 0.009 0.000 0.953 147 R HN 0.719 nan 8.270 nan 0.000 0.419 148 V N -0.319 119.722 119.914 0.213 0.000 3.126 148 V HA 0.905 5.025 4.120 -0.000 0.000 0.314 148 V C 0.631 176.940 176.094 0.359 0.000 1.138 148 V CA -0.138 62.410 62.300 0.413 0.000 1.034 148 V CB 1.341 33.326 31.823 0.270 0.000 1.075 148 V HN 0.998 nan 8.190 nan 0.000 0.442 149 G N 0.794 109.868 108.800 0.457 0.000 2.601 149 G HA2 0.073 4.033 3.960 -0.000 0.000 0.252 149 G HA3 0.073 4.033 3.960 -0.000 0.000 0.252 149 G C 0.966 176.040 174.900 0.289 0.000 1.294 149 G CA 0.816 46.134 45.100 0.364 0.000 0.912 149 G HN 2.242 nan 8.290 nan 0.000 0.574 150 A N -0.974 121.820 122.820 -0.043 0.000 1.940 150 A HA 0.127 4.447 4.320 -0.000 0.000 0.219 150 A C 2.682 180.274 177.584 0.014 0.000 1.176 150 A CA 2.284 54.038 52.037 -0.471 0.000 0.631 150 A CB -0.384 18.160 19.000 -0.761 0.000 0.814 150 A HN 1.093 nan 8.150 nan 0.000 0.446 151 L N -1.239 120.023 121.223 0.065 0.000 2.265 151 L HA -0.123 4.217 4.340 -0.000 0.000 0.215 151 L C 2.355 179.228 176.870 0.004 0.000 1.117 151 L CA 1.008 55.850 54.840 0.003 0.000 0.782 151 L CB -0.258 41.744 42.059 -0.095 0.000 0.914 151 L HN 0.536 nan 8.230 nan 0.000 0.441 152 G N -2.389 106.420 108.800 0.015 0.000 2.944 152 G HA2 0.058 4.018 3.960 -0.000 0.000 0.220 152 G HA3 0.058 4.018 3.960 -0.000 0.000 0.220 152 G C 0.714 175.207 174.900 -0.678 0.000 1.100 152 G CA -0.095 44.847 45.100 -0.262 0.000 0.780 152 G HN 0.267 nan 8.290 nan 0.000 0.539 153 F N -0.285 119.732 119.950 0.112 0.000 2.838 153 F HA 0.425 4.952 4.527 -0.000 0.000 0.329 153 F C 0.330 176.195 175.800 0.108 0.000 1.116 153 F CA -0.940 57.119 58.000 0.098 0.000 1.155 153 F CB 0.564 39.629 39.000 0.108 0.000 1.106 153 F HN -0.088 nan 8.300 nan 0.000 0.538 154 L N 2.386 123.672 121.223 0.104 0.000 2.601 154 L HA 0.357 4.697 4.340 -0.000 0.000 0.277 154 L C 0.207 177.101 176.870 0.040 0.000 1.219 154 L CA 0.072 54.891 54.840 -0.035 0.000 0.915 154 L CB -0.083 41.786 42.059 -0.315 0.000 1.160 154 L HN 0.164 nan 8.230 nan 0.000 0.494 155 A N 5.892 128.773 122.820 0.102 0.000 2.331 155 A HA 0.727 5.047 4.320 -0.000 0.000 0.320 155 A C -0.919 176.677 177.584 0.019 0.000 1.138 155 A CA -0.507 51.571 52.037 0.068 0.000 0.790 155 A CB 1.075 20.138 19.000 0.105 0.000 1.206 155 A HN 0.685 nan 8.150 nan 0.000 0.470 156 L N 4.282 125.505 121.223 -0.001 0.000 2.448 156 L HA 0.325 4.665 4.340 -0.000 0.000 0.257 156 L C -2.417 174.455 176.870 0.002 0.000 1.504 156 L CA -1.292 53.538 54.840 -0.016 0.000 0.852 156 L CB 1.616 43.645 42.059 -0.050 0.000 1.051 156 L HN 0.497 nan 8.230 nan 0.000 0.518 157 P HA 0.064 nan 4.420 nan 0.000 0.259 157 P C 0.994 178.306 177.300 0.019 0.000 1.155 157 P CA 1.668 64.784 63.100 0.027 0.000 0.759 157 P CB 0.577 32.295 31.700 0.031 0.000 0.753 158 G N 2.326 111.140 108.800 0.023 0.000 2.225 158 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.254 158 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.254 158 G C 0.351 175.254 174.900 0.006 0.000 0.988 158 G CA -0.106 45.003 45.100 0.015 0.000 0.625 158 G HN 0.708 nan 8.290 nan 0.000 0.527 159 N N 1.318 120.019 118.700 0.002 0.000 2.462 159 N HA 0.472 5.212 4.740 -0.000 0.000 0.242 159 N C -1.459 174.046 175.510 -0.008 0.000 1.010 159 N CA -1.947 51.099 53.050 -0.007 0.000 0.939 159 N CB 1.742 40.219 38.487 -0.016 0.000 1.127 159 N HN -0.013 nan 8.380 nan 0.000 0.509 160 P HA -0.074 nan 4.420 nan 0.000 0.226 160 P C 0.572 177.866 177.300 -0.010 0.000 1.146 160 P CA 0.926 64.014 63.100 -0.019 0.000 0.773 160 P CB 0.510 32.196 31.700 -0.024 0.000 0.772 161 E N -0.799 119.400 120.200 -0.002 0.000 2.230 161 E HA 0.111 4.461 4.350 -0.000 0.000 0.192 161 E C 0.924 177.543 176.600 0.031 0.000 0.987 161 E CA 0.578 56.989 56.400 0.017 0.000 0.841 161 E CB 0.027 29.730 29.700 0.005 0.000 0.783 161 E HN 0.113 nan 8.360 nan 0.000 0.481 162 A N 1.392 124.207 122.820 -0.010 0.000 3.200 162 A HA 0.253 4.573 4.320 -0.000 0.000 0.274 162 A C -2.184 175.390 177.584 -0.016 0.000 1.220 162 A CA -0.749 51.268 52.037 -0.034 0.000 0.904 162 A CB 0.637 19.520 19.000 -0.194 0.000 1.415 162 A HN -0.120 nan 8.150 nan 0.000 0.630 163 P HA 0.184 nan 4.420 nan 0.000 0.225 163 P C 0.888 178.230 177.300 0.070 0.000 1.156 163 P CA 1.757 64.879 63.100 0.038 0.000 0.787 163 P CB 0.298 32.019 31.700 0.035 0.000 0.802 164 G N 0.599 109.441 108.800 0.071 0.000 2.619 164 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.686 164 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.686 164 G C -0.259 174.695 174.900 0.089 0.000 1.256 164 G CA -0.330 44.825 45.100 0.091 0.000 0.826 164 G HN 0.121 nan 8.290 nan 0.000 0.619 165 N N -1.418 117.305 118.700 0.039 0.000 2.741 165 N HA -0.229 4.511 4.740 -0.000 0.000 0.251 165 N C 1.594 176.975 175.510 -0.215 0.000 1.112 165 N CA 1.987 54.965 53.050 -0.121 0.000 0.750 165 N CB -1.142 37.241 38.487 -0.174 0.000 1.119 165 N HN 0.709 nan 8.380 nan 0.000 0.561 166 M N -0.226 119.244 119.600 -0.216 0.000 2.108 166 M HA -0.033 4.447 4.480 -0.000 0.000 0.261 166 M C 2.425 178.607 176.300 -0.197 0.000 1.066 166 M CA 2.225 57.474 55.300 -0.086 0.000 1.107 166 M CB -0.646 31.890 32.600 -0.106 0.000 1.356 166 M HN 0.351 nan 8.290 nan 0.000 0.406 167 G N -0.226 108.207 108.800 -0.610 0.000 2.422 167 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.218 167 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.218 167 G C 1.592 176.394 174.900 -0.165 0.000 1.146 167 G CA 0.731 45.653 45.100 -0.296 0.000 0.769 167 G HN 0.417 nan 8.290 nan 0.000 0.547 168 L N -0.933 120.074 121.223 -0.360 0.000 2.083 168 L HA 0.042 4.382 4.340 -0.000 0.000 0.209 168 L C 2.651 179.256 176.870 -0.441 0.000 1.083 168 L CA 0.733 55.219 54.840 -0.589 0.000 0.752 168 L CB -0.370 40.908 42.059 -1.303 0.000 0.899 168 L HN 0.168 nan 8.230 nan 0.000 0.433 169 F N 0.251 120.068 119.950 -0.221 0.000 2.293 169 F HA -0.195 4.332 4.527 -0.000 0.000 0.300 169 F C 2.250 178.096 175.800 0.077 0.000 1.086 169 F CA 0.847 58.848 58.000 0.000 0.000 1.375 169 F CB -0.159 38.845 39.000 0.007 0.000 1.045 169 F HN 0.147 nan 8.300 nan 0.000 0.516 170 D N -0.005 120.530 120.400 0.224 0.000 2.097 170 D HA -0.172 4.468 4.640 -0.000 0.000 0.197 170 D C 2.135 178.599 176.300 0.272 0.000 0.984 170 D CA 1.168 55.353 54.000 0.309 0.000 0.826 170 D CB -0.586 40.399 40.800 0.308 0.000 0.973 170 D HN 0.360 nan 8.370 nan 0.000 0.460 171 Q N 0.401 120.263 119.800 0.105 0.000 2.096 171 Q HA -0.210 4.130 4.340 -0.000 0.000 0.204 171 Q C 2.239 178.243 176.000 0.006 0.000 0.982 171 Q CA 1.305 57.093 55.803 -0.026 0.000 0.850 171 Q CB -0.175 28.503 28.738 -0.100 0.000 0.901 171 Q HN 0.365 nan 8.270 nan 0.000 0.422 172 Q N 0.434 120.339 119.800 0.175 0.000 2.124 172 Q HA -0.194 4.146 4.340 -0.000 0.000 0.202 172 Q C 2.032 178.146 176.000 0.189 0.000 0.977 172 Q CA 0.954 56.895 55.803 0.229 0.000 0.850 172 Q CB -0.021 28.955 28.738 0.396 0.000 0.901 172 Q HN 0.301 nan 8.270 nan 0.000 0.429 173 L N 0.393 121.760 121.223 0.241 0.000 2.141 173 L HA -0.039 4.301 4.340 -0.000 0.000 0.209 173 L C 2.136 179.107 176.870 0.169 0.000 1.094 173 L CA 1.970 56.969 54.840 0.265 0.000 0.763 173 L CB -0.716 41.565 42.059 0.370 0.000 0.908 173 L HN 0.267 nan 8.230 nan 0.000 0.437 174 A N -0.723 122.032 122.820 -0.108 0.000 1.930 174 A HA -0.118 4.202 4.320 -0.000 0.000 0.217 174 A C 2.192 179.729 177.584 -0.077 0.000 1.175 174 A CA 1.655 53.417 52.037 -0.458 0.000 0.627 174 A CB -0.731 17.767 19.000 -0.836 0.000 0.815 174 A HN 0.473 nan 8.150 nan 0.000 0.443 175 L N -1.213 119.987 121.223 -0.037 0.000 2.141 175 L HA -0.211 4.129 4.340 -0.000 0.000 0.209 175 L C 2.786 179.715 176.870 0.097 0.000 1.094 175 L CA 1.507 56.359 54.840 0.019 0.000 0.763 175 L CB -0.598 41.443 42.059 -0.029 0.000 0.908 175 L HN 0.474 nan 8.230 nan 0.000 0.437 176 Q N -0.803 119.071 119.800 0.125 0.000 2.119 176 Q HA -0.239 4.101 4.340 -0.000 0.000 0.201 176 Q C 2.060 178.137 176.000 0.128 0.000 0.972 176 Q CA 1.699 57.577 55.803 0.126 0.000 0.847 176 Q CB -0.180 28.645 28.738 0.144 0.000 0.903 176 Q HN 0.521 nan 8.270 nan 0.000 0.433 177 W N -0.227 121.075 121.300 0.003 0.000 2.338 177 W HA -0.232 4.428 4.660 -0.000 0.000 0.304 177 W C 1.703 178.214 176.519 -0.013 0.000 1.212 177 W CA 1.417 58.764 57.345 0.002 0.000 1.264 177 W CB -0.169 29.281 29.460 -0.016 0.000 1.142 177 W HN -0.108 nan 8.180 nan 0.000 0.512 178 V N 0.869 120.933 119.914 0.250 0.000 2.343 178 V HA -0.331 3.789 4.120 -0.000 0.000 0.247 178 V C 2.539 178.601 176.094 -0.054 0.000 1.051 178 V CA 1.993 64.354 62.300 0.102 0.000 1.036 178 V CB -1.002 30.918 31.823 0.163 0.000 0.654 178 V HN 0.197 nan 8.190 nan 0.000 0.451 179 Q N 0.358 120.150 119.800 -0.014 0.000 2.096 179 Q HA -0.211 4.129 4.340 -0.000 0.000 0.204 179 Q C 2.221 178.165 176.000 -0.093 0.000 0.982 179 Q CA 1.681 57.467 55.803 -0.028 0.000 0.850 179 Q CB -0.310 28.435 28.738 0.011 0.000 0.901 179 Q HN 0.623 nan 8.270 nan 0.000 0.422 180 K N -0.282 120.023 120.400 -0.159 0.000 2.361 180 K HA 0.066 4.386 4.320 -0.000 0.000 0.196 180 K C 1.260 177.669 176.600 -0.318 0.000 1.039 180 K CA 0.415 56.577 56.287 -0.207 0.000 1.001 180 K CB 0.375 32.758 32.500 -0.196 0.000 0.795 180 K HN 0.128 nan 8.250 nan 0.000 0.495 181 N N -0.015 118.389 118.700 -0.493 0.000 2.297 181 N HA 0.025 4.765 4.740 -0.000 0.000 0.208 181 N C 1.329 176.701 175.510 -0.230 0.000 1.176 181 N CA 0.147 52.871 53.050 -0.544 0.000 0.882 181 N CB 0.419 38.139 38.487 -1.277 0.000 1.134 181 N HN -0.022 nan 8.380 nan 0.000 0.489 182 I N 2.467 122.924 120.570 -0.189 0.000 2.423 182 I HA -0.130 4.040 4.170 -0.000 0.000 0.254 182 I C 2.124 178.305 176.117 0.107 0.000 1.151 182 I CA 0.637 61.949 61.300 0.021 0.000 1.421 182 I CB -0.203 37.800 38.000 0.004 0.000 1.079 182 I HN 0.069 nan 8.210 nan 0.000 0.431 183 A N 0.147 122.980 122.820 0.022 0.000 1.972 183 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 183 A C 2.493 180.086 177.584 0.015 0.000 1.169 183 A CA 1.576 53.623 52.037 0.016 0.000 0.635 183 A CB -1.063 17.924 19.000 -0.022 0.000 0.810 183 A HN 0.467 nan 8.150 nan 0.000 0.446 184 A N -1.292 121.520 122.820 -0.013 0.000 2.019 184 A HA 0.046 4.366 4.320 -0.000 0.000 0.219 184 A C 1.519 178.976 177.584 -0.212 0.000 1.164 184 A CA 1.197 53.148 52.037 -0.142 0.000 0.644 184 A CB -0.630 18.214 19.000 -0.259 0.000 0.805 184 A HN 0.479 nan 8.150 nan 0.000 0.449 185 F N -0.638 119.259 119.950 -0.088 0.000 2.732 185 F HA 0.375 4.902 4.527 -0.000 0.000 0.303 185 F C 1.725 177.524 175.800 -0.001 0.000 1.110 185 F CA 0.359 58.321 58.000 -0.063 0.000 1.355 185 F CB -0.082 38.864 39.000 -0.089 0.000 1.081 185 F HN 0.324 nan 8.300 nan 0.000 0.565 186 G N 0.325 109.204 108.800 0.131 0.000 2.137 186 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.237 186 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.237 186 G C 0.547 175.508 174.900 0.102 0.000 1.002 186 G CA -0.191 44.968 45.100 0.098 0.000 0.702 186 G HN 0.755 nan 8.290 nan 0.000 0.515 187 G N -0.810 108.057 108.800 0.112 0.000 2.488 187 G HA2 0.551 4.510 3.960 -0.000 0.000 0.318 187 G HA3 0.551 4.510 3.960 -0.000 0.000 0.318 187 G C -0.281 174.649 174.900 0.051 0.000 1.188 187 G CA -0.176 44.975 45.100 0.085 0.000 0.944 187 G HN 0.504 nan 8.290 nan 0.000 0.495 188 N N 1.075 119.798 118.700 0.038 0.000 2.558 188 N HA 0.270 5.010 4.740 -0.000 0.000 0.242 188 N C -1.505 174.016 175.510 0.019 0.000 0.979 188 N CA -2.092 50.971 53.050 0.022 0.000 0.931 188 N CB 2.275 40.771 38.487 0.016 0.000 1.122 188 N HN 0.136 nan 8.380 nan 0.000 0.508 189 P HA -0.128 nan 4.420 nan 0.000 0.223 189 P C 0.390 177.699 177.300 0.015 0.000 1.144 189 P CA 1.090 64.198 63.100 0.014 0.000 0.783 189 P CB 0.324 32.023 31.700 -0.002 0.000 0.771 190 K N -0.636 119.768 120.400 0.005 0.000 2.426 190 K HA 0.105 4.425 4.320 -0.000 0.000 0.193 190 K C 0.938 177.533 176.600 -0.009 0.000 1.028 190 K CA 0.262 56.547 56.287 -0.003 0.000 1.047 190 K CB 0.172 32.668 32.500 -0.006 0.000 0.821 190 K HN -0.070 nan 8.250 nan 0.000 0.513 191 S N 1.081 116.779 115.700 -0.004 0.000 2.112 191 S HA 0.263 4.733 4.470 -0.000 0.000 0.151 191 S C -1.133 173.465 174.600 -0.003 0.000 1.723 191 S CA -0.658 57.529 58.200 -0.022 0.000 1.263 191 S CB 0.321 63.498 63.200 -0.038 0.000 1.194 191 S HN -0.134 nan 8.310 nan 0.000 0.419 192 V N 3.366 123.299 119.914 0.032 0.000 2.384 192 V HA 0.521 4.641 4.120 -0.000 0.000 0.287 192 V C 0.138 176.303 176.094 0.118 0.000 1.020 192 V CA -0.479 61.868 62.300 0.078 0.000 0.850 192 V CB 1.754 33.649 31.823 0.120 0.000 0.987 192 V HN 0.629 nan 8.190 nan 0.000 0.436 193 T N 6.661 121.266 114.554 0.084 0.000 2.779 193 T HA 0.617 4.967 4.350 -0.000 0.000 0.280 193 T C -0.279 174.512 174.700 0.151 0.000 0.987 193 T CA -0.296 61.869 62.100 0.109 0.000 0.966 193 T CB 0.862 69.734 68.868 0.007 0.000 0.933 193 T HN 0.345 nan 8.240 nan 0.000 0.442 194 L N 4.972 126.289 121.223 0.157 0.000 2.325 194 L HA 0.739 5.079 4.340 -0.000 0.000 0.279 194 L C -0.572 176.467 176.870 0.282 0.000 1.054 194 L CA -0.928 53.979 54.840 0.111 0.000 0.804 194 L CB 0.647 42.559 42.059 -0.245 0.000 1.200 194 L HN 0.630 nan 8.230 nan 0.000 0.436 195 F N 0.510 120.472 119.950 0.019 0.000 2.619 195 F HA 0.945 5.472 4.527 -0.000 0.000 0.308 195 F C -0.420 175.323 175.800 -0.095 0.000 1.097 195 F CA -1.420 56.623 58.000 0.072 0.000 0.953 195 F CB 1.452 40.606 39.000 0.256 0.000 1.287 195 F HN 0.481 nan 8.300 nan 0.000 0.446 196 G N 1.195 109.798 108.800 -0.329 0.000 2.623 196 G HA2 0.499 4.459 3.960 -0.000 0.000 0.290 196 G HA3 0.499 4.459 3.960 -0.000 0.000 0.290 196 G C -2.517 172.092 174.900 -0.486 0.000 1.437 196 G CA -0.796 43.698 45.100 -1.010 0.000 0.798 196 G HN 0.869 nan 8.290 nan 0.000 0.488 197 E N 0.228 120.116 120.200 -0.520 0.000 2.238 197 E HA 0.622 4.972 4.350 -0.000 0.000 0.267 197 E C 0.674 177.199 176.600 -0.125 0.000 0.887 197 E CA 0.250 56.583 56.400 -0.112 0.000 0.769 197 E CB 2.127 31.895 29.700 0.113 0.000 1.187 197 E HN 0.785 nan 8.360 nan 0.000 0.416 198 S N 2.674 118.388 115.700 0.022 0.000 4.139 198 S HA -0.398 4.072 4.470 -0.000 0.000 0.603 198 S C 1.468 176.127 174.600 0.099 0.000 1.897 198 S CA 2.153 60.441 58.200 0.148 0.000 4.241 198 S CB -1.588 61.636 63.200 0.041 0.000 0.221 198 S HN 0.936 nan 8.310 nan 0.000 0.488 199 A N 1.059 123.780 122.820 -0.165 0.000 2.024 199 A HA 0.153 4.473 4.320 -0.000 0.000 0.220 199 A C 2.446 179.751 177.584 -0.466 0.000 1.164 199 A CA 2.426 54.168 52.037 -0.492 0.000 0.643 199 A CB -1.526 16.807 19.000 -1.111 0.000 0.806 199 A HN 1.516 nan 8.150 nan 0.000 0.451 200 G N -0.512 108.071 108.800 -0.363 0.000 2.418 200 G HA2 0.020 3.980 3.960 -0.000 0.000 0.217 200 G HA3 0.020 3.980 3.960 -0.000 0.000 0.217 200 G C 1.739 176.449 174.900 -0.317 0.000 1.158 200 G CA 1.328 46.170 45.100 -0.431 0.000 0.771 200 G HN 0.761 nan 8.290 nan 0.000 0.545 201 A N 1.237 123.927 122.820 -0.218 0.000 1.898 201 A HA 0.291 4.611 4.320 -0.000 0.000 0.216 201 A C 2.826 180.335 177.584 -0.124 0.000 1.181 201 A CA 2.212 54.157 52.037 -0.152 0.000 0.620 201 A CB -0.845 18.105 19.000 -0.084 0.000 0.819 201 A HN 0.797 nan 8.150 nan 0.000 0.442 202 A N -0.524 122.269 122.820 -0.044 0.000 1.940 202 A HA -0.094 4.226 4.320 -0.000 0.000 0.219 202 A C 2.436 180.074 177.584 0.090 0.000 1.176 202 A CA 2.138 54.179 52.037 0.008 0.000 0.631 202 A CB -0.844 18.233 19.000 0.129 0.000 0.814 202 A HN 0.451 nan 8.150 nan 0.000 0.446 203 S N -0.561 115.183 115.700 0.073 0.000 2.356 203 S HA -0.135 4.335 4.470 -0.000 0.000 0.223 203 S C 1.921 176.559 174.600 0.064 0.000 1.032 203 S CA 1.383 59.618 58.200 0.058 0.000 1.005 203 S CB -0.524 62.641 63.200 -0.058 0.000 0.867 203 S HN 0.350 nan 8.310 nan 0.000 0.449 204 V N 2.535 122.449 119.914 0.001 0.000 2.282 204 V HA -0.221 3.899 4.120 -0.000 0.000 0.249 204 V C 2.731 178.854 176.094 0.050 0.000 1.057 204 V CA 2.126 64.423 62.300 -0.005 0.000 1.032 204 V CB -1.125 30.635 31.823 -0.106 0.000 0.645 204 V HN 0.726 nan 8.190 nan 0.000 0.447 205 S N -0.225 115.474 115.700 -0.002 0.000 2.400 205 S HA -0.162 4.308 4.470 -0.000 0.000 0.232 205 S C 1.923 176.694 174.600 0.286 0.000 1.025 205 S CA 1.625 59.876 58.200 0.084 0.000 0.993 205 S CB -0.637 62.446 63.200 -0.196 0.000 0.808 205 S HN 0.534 nan 8.310 nan 0.000 0.478 206 L N 0.435 121.766 121.223 0.179 0.000 2.217 206 L HA -0.006 4.334 4.340 -0.000 0.000 0.211 206 L C 2.823 179.731 176.870 0.063 0.000 1.107 206 L CA 1.095 55.987 54.840 0.086 0.000 0.783 206 L CB -0.610 41.497 42.059 0.080 0.000 0.919 206 L HN 0.410 nan 8.230 nan 0.000 0.442 207 H N -0.219 118.962 119.070 0.184 0.000 2.462 207 H HA -0.027 4.529 4.556 -0.000 0.000 0.292 207 H C 2.283 177.823 175.328 0.354 0.000 1.049 207 H CA 1.038 57.187 56.048 0.168 0.000 1.334 207 H CB 0.220 29.942 29.762 -0.066 0.000 1.404 207 H HN 0.332 nan 8.280 nan 0.000 0.544 208 L N -0.021 121.495 121.223 0.488 0.000 2.291 208 L HA -0.137 4.203 4.340 -0.000 0.000 0.214 208 L C 1.650 178.815 176.870 0.492 0.000 1.120 208 L CA 0.351 55.539 54.840 0.579 0.000 0.799 208 L CB 0.034 42.420 42.059 0.545 0.000 0.925 208 L HN 0.130 nan 8.230 nan 0.000 0.446 209 L N -1.775 119.633 121.223 0.308 0.000 2.463 209 L HA 0.124 4.464 4.340 -0.000 0.000 0.219 209 L C 1.238 178.104 176.870 -0.007 0.000 1.088 209 L CA 0.733 55.676 54.840 0.172 0.000 0.849 209 L CB -0.015 42.005 42.059 -0.065 0.000 1.012 209 L HN -0.057 nan 8.230 nan 0.000 0.468 210 S N 0.165 115.769 115.700 -0.160 0.000 2.439 210 S HA 0.207 4.677 4.470 -0.000 0.000 0.282 210 S C -1.536 172.807 174.600 -0.429 0.000 1.170 210 S CA -1.272 56.625 58.200 -0.505 0.000 1.054 210 S CB 0.862 63.312 63.200 -1.251 0.000 0.956 210 S HN -0.052 nan 8.310 nan 0.000 0.490 211 P HA -0.070 nan 4.420 nan 0.000 0.216 211 P C 1.471 178.553 177.300 -0.364 0.000 1.153 211 P CA 1.107 63.767 63.100 -0.734 0.000 0.858 211 P CB -0.069 31.377 31.700 -0.424 0.000 0.789 212 G N -1.382 107.284 108.800 -0.223 0.000 2.535 212 G HA2 -0.165 3.794 3.960 -0.000 0.000 0.218 212 G HA3 -0.165 3.794 3.960 -0.000 0.000 0.218 212 G C 1.322 176.256 174.900 0.058 0.000 1.122 212 G CA 0.701 45.772 45.100 -0.049 0.000 0.769 212 G HN 0.249 nan 8.290 nan 0.000 0.549 213 S N -0.711 115.045 115.700 0.093 0.000 2.512 213 S HA 0.145 4.615 4.470 -0.000 0.000 0.216 213 S C 1.720 176.578 174.600 0.430 0.000 1.006 213 S CA -0.368 58.024 58.200 0.320 0.000 0.915 213 S CB -0.027 63.468 63.200 0.492 0.000 0.824 213 S HN 0.393 nan 8.310 nan 0.000 0.497 214 H N 2.843 121.983 119.070 0.115 0.000 2.325 214 H HA -0.098 4.458 4.556 -0.000 0.000 0.293 214 H C 2.299 177.564 175.328 -0.104 0.000 1.106 214 H CA 1.741 57.777 56.048 -0.022 0.000 1.247 214 H CB -0.536 29.203 29.762 -0.037 0.000 1.359 214 H HN 0.491 nan 8.280 nan 0.000 0.488 215 S N -0.216 115.552 115.700 0.114 0.000 2.671 215 S HA 0.109 4.579 4.470 -0.000 0.000 0.220 215 S C 1.497 176.139 174.600 0.069 0.000 0.951 215 S CA -0.056 58.169 58.200 0.042 0.000 0.932 215 S CB -0.218 63.010 63.200 0.045 0.000 0.777 215 S HN 0.288 nan 8.310 nan 0.000 0.508 216 L N 0.611 121.932 121.223 0.163 0.000 2.640 216 L HA 0.467 4.807 4.340 -0.000 0.000 0.230 216 L C 0.017 177.080 176.870 0.322 0.000 1.123 216 L CA -0.219 54.753 54.840 0.220 0.000 0.900 216 L CB -0.127 42.076 42.059 0.240 0.000 1.146 216 L HN 0.549 nan 8.230 nan 0.000 0.484 217 F N -4.639 115.330 119.950 0.031 0.000 2.741 217 F HA 0.470 4.997 4.527 -0.000 0.000 0.313 217 F C 0.323 176.134 175.800 0.017 0.000 1.153 217 F CA -0.928 57.083 58.000 0.020 0.000 0.931 217 F CB 0.700 39.711 39.000 0.018 0.000 1.335 217 F HN -0.347 nan 8.300 nan 0.000 0.460 218 T N -0.434 114.144 114.554 0.039 0.000 3.053 218 T HA 0.373 4.723 4.350 -0.000 0.000 0.236 218 T C 0.577 175.254 174.700 -0.038 0.000 0.996 218 T CA 0.476 62.524 62.100 -0.087 0.000 1.185 218 T CB 0.051 68.891 68.868 -0.047 0.000 0.892 218 T HN 0.497 nan 8.240 nan 0.000 0.432 219 R N -0.144 120.445 120.500 0.148 0.000 2.930 219 R HA 0.807 5.147 4.340 -0.000 0.000 0.257 219 R C -1.616 174.936 176.300 0.419 0.000 1.107 219 R CA -0.793 55.423 56.100 0.193 0.000 0.999 219 R CB 1.917 32.144 30.300 -0.122 0.000 1.209 219 R HN 0.315 nan 8.270 nan 0.000 0.486 220 A N 1.213 124.282 122.820 0.416 0.000 2.486 220 A HA 0.643 4.963 4.320 -0.000 0.000 0.300 220 A C -1.177 176.521 177.584 0.189 0.000 1.048 220 A CA -0.597 51.614 52.037 0.292 0.000 0.696 220 A CB 1.143 20.291 19.000 0.246 0.000 1.278 220 A HN 0.557 nan 8.150 nan 0.000 0.405 221 I N 2.193 122.822 120.570 0.099 0.000 2.418 221 I HA 0.366 4.536 4.170 -0.000 0.000 0.287 221 I C -1.433 174.691 176.117 0.012 0.000 1.008 221 I CA -0.657 60.614 61.300 -0.048 0.000 1.104 221 I CB 1.853 39.827 38.000 -0.044 0.000 1.264 221 I HN 0.408 nan 8.210 nan 0.000 0.438 222 L N 6.797 127.981 121.223 -0.066 0.000 2.345 222 L HA 0.398 4.738 4.340 -0.000 0.000 0.274 222 L C -0.376 176.488 176.870 -0.010 0.000 0.999 222 L CA -0.279 54.513 54.840 -0.081 0.000 0.849 222 L CB 1.307 43.225 42.059 -0.236 0.000 1.220 222 L HN 0.497 nan 8.230 nan 0.000 0.422 223 Q N 1.814 121.680 119.800 0.110 0.000 2.331 223 Q HA 0.472 4.812 4.340 -0.000 0.000 0.257 223 Q C 0.118 176.185 176.000 0.112 0.000 0.957 223 Q CA -0.521 55.407 55.803 0.208 0.000 0.923 223 Q CB 1.182 30.145 28.738 0.374 0.000 1.212 223 Q HN 0.602 nan 8.270 nan 0.000 0.443 224 S N 1.225 116.971 115.700 0.076 0.000 3.628 224 S HA -0.138 4.332 4.470 -0.000 0.000 0.373 224 S C 0.010 174.789 174.600 0.298 0.000 0.968 224 S CA 0.502 58.790 58.200 0.148 0.000 1.215 224 S CB -1.225 62.042 63.200 0.111 0.000 0.912 224 S HN 1.026 nan 8.310 nan 0.000 0.495 225 G N -0.441 108.466 108.800 0.177 0.000 2.429 225 G HA2 0.612 4.572 3.960 -0.000 0.000 0.300 225 G HA3 0.612 4.572 3.960 -0.000 0.000 0.300 225 G C -1.006 173.805 174.900 -0.149 0.000 1.598 225 G CA 0.151 45.361 45.100 0.182 0.000 0.863 225 G HN 1.362 nan 8.290 nan 0.000 0.614 226 S N -0.585 114.929 115.700 -0.311 0.000 2.565 226 S HA 0.519 4.989 4.470 -0.000 0.000 0.274 226 S C 0.554 174.813 174.600 -0.569 0.000 1.144 226 S CA -0.223 57.617 58.200 -0.599 0.000 0.849 226 S CB 0.814 63.502 63.200 -0.853 0.000 1.103 226 S HN 1.901 nan 8.310 nan 0.000 0.455 227 F N 1.452 121.193 119.950 -0.349 0.000 2.333 227 F HA 0.014 4.541 4.527 -0.000 0.000 0.300 227 F C 1.657 177.281 175.800 -0.294 0.000 1.083 227 F CA 1.194 59.033 58.000 -0.269 0.000 1.395 227 F CB -0.596 38.326 39.000 -0.131 0.000 1.056 227 F HN 0.653 nan 8.300 nan 0.000 0.529 228 N N 1.544 119.853 118.700 -0.651 0.000 2.449 228 N HA 0.107 4.847 4.740 -0.000 0.000 0.191 228 N C 0.417 175.665 175.510 -0.436 0.000 1.161 228 N CA 0.529 53.363 53.050 -0.360 0.000 0.863 228 N CB -0.515 37.758 38.487 -0.357 0.000 0.980 228 N HN 0.383 nan 8.380 nan 0.000 0.458 229 A N 2.359 124.770 122.820 -0.680 0.000 2.462 229 A HA 0.251 4.571 4.320 -0.000 0.000 0.243 229 A C -0.852 176.184 177.584 -0.915 0.000 1.076 229 A CA -1.095 50.363 52.037 -0.965 0.000 0.773 229 A CB 0.369 18.394 19.000 -1.625 0.000 1.010 229 A HN 0.106 nan 8.150 nan 0.000 0.493 230 P HA -0.140 nan 4.420 nan 0.000 0.221 230 P C 0.929 178.010 177.300 -0.364 0.000 1.145 230 P CA 1.452 64.244 63.100 -0.513 0.000 0.795 230 P CB -0.057 31.284 31.700 -0.599 0.000 0.775 231 W N -1.679 119.434 121.300 -0.311 0.000 3.211 231 W HA 0.574 5.234 4.660 -0.000 0.000 0.292 231 W C 1.239 177.696 176.519 -0.103 0.000 1.268 231 W CA 0.279 57.497 57.345 -0.212 0.000 1.702 231 W CB -1.002 28.288 29.460 -0.283 0.000 1.092 231 W HN -0.127 nan 8.180 nan 0.000 0.643 232 A N 1.504 123.985 122.820 -0.565 0.000 1.970 232 A HA 0.200 4.520 4.320 -0.000 0.000 0.216 232 A C 0.836 178.360 177.584 -0.100 0.000 1.170 232 A CA 1.021 52.879 52.037 -0.299 0.000 0.645 232 A CB -0.494 18.113 19.000 -0.656 0.000 0.816 232 A HN 0.012 nan 8.150 nan 0.000 0.447 233 V N 0.936 120.774 119.914 -0.127 0.000 2.483 233 V HA 0.306 4.426 4.120 -0.000 0.000 0.297 233 V C -0.425 175.626 176.094 -0.071 0.000 1.027 233 V CA -0.639 61.599 62.300 -0.103 0.000 0.855 233 V CB 1.542 33.327 31.823 -0.063 0.000 0.995 233 V HN 0.239 nan 8.190 nan 0.000 0.424 234 T N 3.745 118.254 114.554 -0.075 0.000 2.794 234 T HA 0.257 4.607 4.350 -0.000 0.000 0.296 234 T C 0.588 175.281 174.700 -0.011 0.000 0.949 234 T CA -0.123 61.952 62.100 -0.041 0.000 1.101 234 T CB 0.802 69.643 68.868 -0.045 0.000 0.905 234 T HN 0.924 nan 8.240 nan 0.000 0.516 235 S N 3.287 118.994 115.700 0.012 0.000 2.579 235 S HA 0.109 4.579 4.470 -0.000 0.000 0.275 235 S C 1.511 176.146 174.600 0.058 0.000 1.345 235 S CA -0.837 57.387 58.200 0.041 0.000 1.031 235 S CB 0.283 63.523 63.200 0.067 0.000 0.892 235 S HN 0.727 nan 8.310 nan 0.000 0.529 236 L N 1.323 122.589 121.223 0.071 0.000 2.127 236 L HA -0.037 4.303 4.340 -0.000 0.000 0.211 236 L C 2.117 179.047 176.870 0.099 0.000 1.089 236 L CA 1.611 56.495 54.840 0.074 0.000 0.757 236 L CB -0.650 41.453 42.059 0.074 0.000 0.899 236 L HN 0.839 nan 8.230 nan 0.000 0.434 237 Y N 0.809 121.110 120.300 0.001 0.000 2.184 237 Y HA -0.186 4.364 4.550 -0.000 0.000 0.290 237 Y C 2.477 178.375 175.900 -0.004 0.000 1.129 237 Y CA 2.076 60.176 58.100 0.001 0.000 1.144 237 Y CB -0.154 38.307 38.460 0.001 0.000 0.995 237 Y HN 0.327 nan 8.280 nan 0.000 0.513 238 E N -0.308 119.951 120.200 0.099 0.000 2.058 238 E HA -0.251 4.099 4.350 -0.000 0.000 0.194 238 E C 2.356 178.918 176.600 -0.064 0.000 0.997 238 E CA 1.163 57.564 56.400 0.002 0.000 0.801 238 E CB -0.374 29.335 29.700 0.014 0.000 0.746 238 E HN 0.531 nan 8.360 nan 0.000 0.450 239 A N 1.394 124.198 122.820 -0.026 0.000 1.892 239 A HA -0.294 4.026 4.320 -0.000 0.000 0.218 239 A C 2.100 179.677 177.584 -0.012 0.000 1.188 239 A CA 2.079 54.116 52.037 0.000 0.000 0.631 239 A CB -0.589 18.436 19.000 0.041 0.000 0.822 239 A HN 0.122 nan 8.150 nan 0.000 0.447 240 R N -0.181 120.282 120.500 -0.062 0.000 2.080 240 R HA -0.185 4.155 4.340 -0.000 0.000 0.236 240 R C 2.033 178.255 176.300 -0.130 0.000 1.137 240 R CA 2.102 58.143 56.100 -0.099 0.000 0.943 240 R CB -0.554 29.654 30.300 -0.155 0.000 0.846 240 R HN 0.540 nan 8.270 nan 0.000 0.431 241 N N -0.261 118.312 118.700 -0.212 0.000 2.289 241 N HA -0.105 4.635 4.740 -0.000 0.000 0.184 241 N C 1.408 176.864 175.510 -0.089 0.000 1.016 241 N CA 1.225 54.165 53.050 -0.182 0.000 0.872 241 N CB 0.128 38.480 38.487 -0.225 0.000 0.973 241 N HN 0.273 nan 8.380 nan 0.000 0.433 242 R N -1.502 118.956 120.500 -0.071 0.000 2.090 242 R HA 0.123 4.463 4.340 -0.000 0.000 0.219 242 R C 1.847 178.232 176.300 0.142 0.000 1.100 242 R CA 1.272 57.349 56.100 -0.039 0.000 0.991 242 R CB -0.308 29.841 30.300 -0.253 0.000 0.893 242 R HN 0.144 nan 8.270 nan 0.000 0.443 243 T N 1.790 116.434 114.554 0.151 0.000 2.746 243 T HA -0.073 4.277 4.350 -0.000 0.000 0.267 243 T C 1.831 176.561 174.700 0.051 0.000 1.039 243 T CA 1.072 63.252 62.100 0.133 0.000 1.142 243 T CB -0.086 68.809 68.868 0.045 0.000 0.866 243 T HN 0.097 nan 8.240 nan 0.000 0.444 244 L N 0.797 122.029 121.223 0.014 0.000 2.072 244 L HA -0.055 4.285 4.340 -0.000 0.000 0.205 244 L C 2.504 179.383 176.870 0.014 0.000 1.079 244 L CA 0.950 55.787 54.840 -0.005 0.000 0.752 244 L CB -0.572 41.468 42.059 -0.033 0.000 0.906 244 L HN 0.165 nan 8.230 nan 0.000 0.436 245 N N 0.176 118.890 118.700 0.023 0.000 2.223 245 N HA -0.189 4.551 4.740 -0.000 0.000 0.185 245 N C 1.646 177.202 175.510 0.076 0.000 1.016 245 N CA 0.998 54.071 53.050 0.037 0.000 0.863 245 N CB -0.284 38.220 38.487 0.029 0.000 0.983 245 N HN 0.134 nan 8.380 nan 0.000 0.429 246 L N 0.430 121.725 121.223 0.119 0.000 2.109 246 L HA 0.101 4.441 4.340 -0.000 0.000 0.207 246 L C 1.939 178.852 176.870 0.071 0.000 1.086 246 L CA 1.202 56.126 54.840 0.139 0.000 0.760 246 L CB -0.840 41.335 42.059 0.194 0.000 0.910 246 L HN 0.114 nan 8.230 nan 0.000 0.437 247 A N -0.308 122.535 122.820 0.038 0.000 1.858 247 A HA -0.284 4.036 4.320 -0.000 0.000 0.216 247 A C 2.459 180.054 177.584 0.018 0.000 1.190 247 A CA 2.085 54.130 52.037 0.013 0.000 0.617 247 A CB -0.701 18.295 19.000 -0.006 0.000 0.827 247 A HN 0.465 nan 8.150 nan 0.000 0.443 248 K N -0.457 119.953 120.400 0.017 0.000 2.063 248 K HA -0.079 4.241 4.320 -0.000 0.000 0.208 248 K C 1.804 178.412 176.600 0.015 0.000 1.048 248 K CA 1.437 57.731 56.287 0.011 0.000 0.928 248 K CB -0.325 32.178 32.500 0.005 0.000 0.713 248 K HN 0.467 nan 8.250 nan 0.000 0.442 249 L N 0.408 121.649 121.223 0.030 0.000 2.275 249 L HA -0.099 4.241 4.340 -0.000 0.000 0.215 249 L C 1.818 178.707 176.870 0.033 0.000 1.119 249 L CA 1.436 56.295 54.840 0.032 0.000 0.790 249 L CB -0.229 41.873 42.059 0.071 0.000 0.919 249 L HN 0.379 nan 8.230 nan 0.000 0.443 250 T N -4.293 110.283 114.554 0.037 0.000 3.174 250 T HA 0.308 4.658 4.350 -0.000 0.000 0.269 250 T C 1.162 175.876 174.700 0.023 0.000 1.017 250 T CA 0.163 62.285 62.100 0.036 0.000 0.899 250 T CB 0.506 69.403 68.868 0.048 0.000 1.077 250 T HN 0.316 nan 8.240 nan 0.000 0.552 251 G N 0.359 109.168 108.800 0.015 0.000 2.338 251 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.296 251 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.296 251 G C 0.542 175.448 174.900 0.010 0.000 1.040 251 G CA 0.107 45.212 45.100 0.009 0.000 1.004 251 G HN 0.637 nan 8.290 nan 0.000 0.509 252 c N 0.324 118.929 118.600 0.010 0.000 3.243 252 c HA 0.436 5.005 4.570 -0.000 0.000 0.286 252 c C 1.614 175.703 174.090 -0.002 0.000 1.373 252 c CA 0.177 56.510 56.329 0.006 0.000 1.749 252 c CB -0.569 41.945 42.510 0.008 0.000 2.313 252 c HN 0.672 nan 8.230 nan 0.000 0.644 253 S N 1.890 117.589 115.700 -0.002 0.000 2.546 253 S HA 0.341 4.811 4.470 -0.000 0.000 0.290 253 S C 0.184 174.781 174.600 -0.006 0.000 1.290 253 S CA 0.616 58.812 58.200 -0.006 0.000 1.069 253 S CB 0.474 63.671 63.200 -0.005 0.000 0.846 253 S HN 0.484 nan 8.310 nan 0.000 0.495 257 E N -0.131 120.058 120.200 -0.019 0.000 2.219 257 E HA -0.182 4.168 4.350 -0.000 0.000 0.198 257 E C 0.729 177.310 176.600 -0.032 0.000 0.998 257 E CA 1.584 57.967 56.400 -0.028 0.000 0.818 257 E CB 0.095 29.777 29.700 -0.029 0.000 0.741 257 E HN 0.569 nan 8.360 nan 0.000 0.477 258 T N 1.116 115.657 114.554 -0.022 0.000 2.867 258 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 258 T C 1.586 176.278 174.700 -0.014 0.000 1.057 258 T CA 0.947 63.036 62.100 -0.018 0.000 1.136 258 T CB -0.083 68.779 68.868 -0.010 0.000 0.874 258 T HN 0.229 nan 8.240 nan 0.000 0.466 259 E N 0.535 120.729 120.200 -0.011 0.000 2.204 259 E HA 0.002 4.352 4.350 -0.000 0.000 0.194 259 E C 2.075 178.670 176.600 -0.009 0.000 0.989 259 E CA 0.564 56.961 56.400 -0.006 0.000 0.824 259 E CB -0.198 29.500 29.700 -0.004 0.000 0.756 259 E HN 0.507 nan 8.360 nan 0.000 0.477 260 I N 1.119 121.675 120.570 -0.022 0.000 2.226 260 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 260 I C 2.127 178.218 176.117 -0.043 0.000 1.100 260 I CA 0.723 62.003 61.300 -0.033 0.000 1.374 260 I CB -0.220 37.749 38.000 -0.050 0.000 1.057 260 I HN 0.144 nan 8.210 nan 0.000 0.413 261 I N 0.922 121.458 120.570 -0.056 0.000 2.315 261 I HA -0.247 3.923 4.170 -0.000 0.000 0.248 261 I C 2.485 178.628 176.117 0.044 0.000 1.117 261 I CA 1.443 62.709 61.300 -0.056 0.000 1.404 261 I CB -1.297 36.667 38.000 -0.059 0.000 1.071 261 I HN 0.288 nan 8.210 nan 0.000 0.419 262 K N 0.489 120.908 120.400 0.031 0.000 2.097 262 K HA -0.233 4.087 4.320 -0.000 0.000 0.206 262 K C 2.515 179.144 176.600 0.048 0.000 1.049 262 K CA 1.739 58.051 56.287 0.043 0.000 0.933 262 K CB -0.165 32.349 32.500 0.023 0.000 0.717 262 K HN 0.390 nan 8.250 nan 0.000 0.442 263 c N 0.819 119.439 118.600 0.034 0.000 2.453 263 c HA -0.009 4.561 4.570 -0.000 0.000 0.277 263 c C 2.453 176.579 174.090 0.059 0.000 1.262 263 c CA 0.547 56.896 56.329 0.034 0.000 1.718 263 c CB -0.948 41.573 42.510 0.019 0.000 2.031 263 c HN 0.554 nan 8.230 nan 0.000 0.480 264 L N 0.427 121.697 121.223 0.079 0.000 2.265 264 L HA -0.059 4.281 4.340 -0.000 0.000 0.215 264 L C 2.807 179.818 176.870 0.235 0.000 1.117 264 L CA 1.164 56.095 54.840 0.152 0.000 0.782 264 L CB -0.557 41.580 42.059 0.130 0.000 0.914 264 L HN 0.364 nan 8.230 nan 0.000 0.441 265 R N -0.318 120.303 120.500 0.201 0.000 2.307 265 R HA -0.007 4.333 4.340 -0.000 0.000 0.199 265 R C 1.150 177.480 176.300 0.051 0.000 1.000 265 R CA 0.374 56.551 56.100 0.128 0.000 1.023 265 R CB -0.116 30.252 30.300 0.114 0.000 0.908 265 R HN 0.453 nan 8.270 nan 0.000 0.473 266 N N 0.278 119.010 118.700 0.053 0.000 2.322 266 N HA 0.002 4.742 4.740 -0.000 0.000 0.181 266 N C 0.093 175.619 175.510 0.027 0.000 1.088 266 N CA 0.358 53.425 53.050 0.029 0.000 0.885 266 N CB 0.420 38.923 38.487 0.027 0.000 1.013 266 N HN -0.034 nan 8.380 nan 0.000 0.472 267 K N 1.875 122.301 120.400 0.042 0.000 2.319 267 K HA 0.067 4.386 4.320 -0.000 0.000 0.265 267 K C -0.324 176.289 176.600 0.022 0.000 1.000 267 K CA 0.015 56.325 56.287 0.039 0.000 0.943 267 K CB 0.415 32.951 32.500 0.061 0.000 0.950 267 K HN 0.006 nan 8.250 nan 0.000 0.485 268 D N 2.351 122.763 120.400 0.019 0.000 2.304 268 D HA 0.105 4.745 4.640 -0.000 0.000 0.250 268 D C -1.471 174.835 176.300 0.009 0.000 1.107 268 D CA -1.989 52.016 54.000 0.008 0.000 0.885 268 D CB 0.808 41.615 40.800 0.011 0.000 1.192 268 D HN 0.098 nan 8.370 nan 0.000 0.436 269 P HA -0.243 nan 4.420 nan 0.000 0.220 269 P C 1.334 178.642 177.300 0.014 0.000 1.155 269 P CA 1.334 64.428 63.100 -0.011 0.000 0.880 269 P CB 0.388 32.074 31.700 -0.023 0.000 0.790 270 Q N -0.339 119.473 119.800 0.020 0.000 2.079 270 Q HA -0.199 4.141 4.340 -0.000 0.000 0.200 270 Q C 2.168 178.197 176.000 0.049 0.000 0.974 270 Q CA 1.626 57.448 55.803 0.033 0.000 0.840 270 Q CB -0.701 28.054 28.738 0.029 0.000 0.898 270 Q HN 0.385 nan 8.270 nan 0.000 0.430 271 E N -0.257 119.971 120.200 0.046 0.000 2.118 271 E HA -0.171 4.179 4.350 -0.000 0.000 0.195 271 E C 2.036 178.683 176.600 0.078 0.000 0.992 271 E CA 1.010 57.446 56.400 0.059 0.000 0.804 271 E CB -0.089 29.640 29.700 0.048 0.000 0.741 271 E HN 0.348 nan 8.360 nan 0.000 0.458 272 I N 0.439 121.052 120.570 0.071 0.000 2.233 272 I HA -0.262 3.908 4.170 -0.000 0.000 0.243 272 I C 2.304 178.476 176.117 0.091 0.000 1.093 272 I CA 0.738 62.088 61.300 0.084 0.000 1.380 272 I CB -0.096 37.952 38.000 0.079 0.000 1.067 272 I HN 0.198 nan 8.210 nan 0.000 0.413 273 L N -0.115 121.153 121.223 0.075 0.000 2.046 273 L HA -0.234 4.106 4.340 -0.000 0.000 0.208 273 L C 2.569 179.498 176.870 0.098 0.000 1.077 273 L CA 1.037 55.924 54.840 0.079 0.000 0.747 273 L CB -0.550 41.544 42.059 0.058 0.000 0.896 273 L HN 0.305 nan 8.230 nan 0.000 0.432 274 L N -0.008 121.281 121.223 0.111 0.000 2.079 274 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 274 L C 2.037 179.062 176.870 0.258 0.000 1.081 274 L CA 1.837 56.773 54.840 0.159 0.000 0.752 274 L CB -0.585 41.562 42.059 0.147 0.000 0.896 274 L HN 0.281 nan 8.230 nan 0.000 0.433 275 N N -0.626 118.217 118.700 0.238 0.000 2.373 275 N HA -0.065 4.675 4.740 -0.000 0.000 0.181 275 N C 1.478 177.164 175.510 0.293 0.000 1.082 275 N CA 0.568 53.816 53.050 0.330 0.000 0.885 275 N CB 0.097 38.718 38.487 0.223 0.000 0.977 275 N HN 0.556 nan 8.380 nan 0.000 0.462 276 E N 1.348 121.680 120.200 0.220 0.000 2.118 276 E HA -0.111 4.239 4.350 -0.000 0.000 0.195 276 E C 1.718 178.388 176.600 0.117 0.000 0.992 276 E CA 0.984 57.556 56.400 0.286 0.000 0.804 276 E CB -0.010 29.862 29.700 0.286 0.000 0.741 276 E HN 0.307 nan 8.360 nan 0.000 0.458 277 A N 0.166 122.926 122.820 -0.100 0.000 2.121 277 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 277 A C 1.312 178.562 177.584 -0.557 0.000 1.154 277 A CA 0.897 52.692 52.037 -0.403 0.000 0.679 277 A CB -0.358 18.249 19.000 -0.656 0.000 0.795 277 A HN 0.203 nan 8.150 nan 0.000 0.458 278 F N -1.176 118.797 119.950 0.039 0.000 2.661 278 F HA 0.127 4.654 4.527 -0.000 0.000 0.306 278 F C 1.843 177.635 175.800 -0.014 0.000 1.094 278 F CA 0.301 58.304 58.000 0.004 0.000 1.254 278 F CB 0.050 39.053 39.000 0.006 0.000 1.040 278 F HN 0.078 nan 8.300 nan 0.000 0.562 279 V N -2.168 117.815 119.914 0.114 0.000 2.594 279 V HA -0.052 4.068 4.120 -0.000 0.000 0.253 279 V C 0.690 176.763 176.094 -0.034 0.000 1.069 279 V CA 0.649 62.977 62.300 0.047 0.000 1.082 279 V CB -0.901 30.926 31.823 0.007 0.000 0.680 279 V HN -0.014 nan 8.190 nan 0.000 0.469 280 V N 3.096 122.974 119.914 -0.060 0.000 2.370 280 V HA 0.333 4.453 4.120 -0.000 0.000 0.279 280 V C -0.408 175.635 176.094 -0.084 0.000 1.029 280 V CA -0.938 61.317 62.300 -0.076 0.000 0.870 280 V CB 1.079 32.852 31.823 -0.083 0.000 0.984 280 V HN 0.291 nan 8.190 nan 0.000 0.451 281 P HA -0.147 nan 4.420 nan 0.000 0.214 281 P C -0.237 176.753 177.300 -0.516 0.000 1.163 281 P CA 1.574 64.458 63.100 -0.360 0.000 0.889 281 P CB 0.151 31.620 31.700 -0.385 0.000 0.790 282 Y N -0.285 120.026 120.300 0.019 0.000 2.681 282 Y HA 0.563 5.113 4.550 -0.000 0.000 0.347 282 Y C 0.948 176.837 175.900 -0.017 0.000 1.029 282 Y CA -0.997 57.107 58.100 0.006 0.000 1.279 282 Y CB 0.972 39.442 38.460 0.016 0.000 1.096 282 Y HN -0.088 nan 8.280 nan 0.000 0.580 283 G N 0.608 109.453 108.800 0.075 0.000 2.504 283 G HA2 0.491 4.451 3.960 -0.000 0.000 0.288 283 G HA3 0.491 4.451 3.960 -0.000 0.000 0.288 283 G C 0.100 174.983 174.900 -0.029 0.000 1.182 283 G CA -0.476 44.629 45.100 0.009 0.000 0.894 283 G HN 0.392 nan 8.290 nan 0.000 0.521 284 T N -1.449 113.064 114.554 -0.069 0.000 2.862 284 T HA 0.440 4.790 4.350 -0.000 0.000 0.276 284 T C -1.748 172.874 174.700 -0.130 0.000 0.974 284 T CA -1.481 60.524 62.100 -0.159 0.000 0.966 284 T CB 1.955 70.731 68.868 -0.153 0.000 1.072 284 T HN 0.118 nan 8.240 nan 0.000 0.538 285 P HA 0.097 nan 4.420 nan 0.000 0.228 285 P C 1.212 178.566 177.300 0.090 0.000 1.151 285 P CA 0.504 63.612 63.100 0.013 0.000 0.770 285 P CB -0.087 31.685 31.700 0.121 0.000 0.786 286 L N -1.287 119.929 121.223 -0.011 0.000 2.240 286 L HA -0.041 4.299 4.340 -0.000 0.000 0.211 286 L C 0.717 177.543 176.870 -0.073 0.000 1.106 286 L CA 0.588 55.367 54.840 -0.102 0.000 0.793 286 L CB -0.979 40.894 42.059 -0.310 0.000 0.927 286 L HN -0.122 nan 8.230 nan 0.000 0.446 287 S N -0.750 114.920 115.700 -0.051 0.000 3.378 287 S HA -0.149 4.320 4.470 -0.000 0.000 0.365 287 S C 0.265 174.852 174.600 -0.021 0.000 0.951 287 S CA 0.140 58.315 58.200 -0.041 0.000 1.274 287 S CB -2.342 60.835 63.200 -0.039 0.000 0.915 287 S HN 0.111 nan 8.310 nan 0.000 0.513 288 V N 2.444 122.357 119.914 -0.003 0.000 2.096 288 V HA 0.108 4.228 4.120 -0.000 0.000 0.259 288 V C 1.625 177.705 176.094 -0.024 0.000 1.420 288 V CA -0.536 61.791 62.300 0.045 0.000 1.336 288 V CB -0.110 31.800 31.823 0.146 0.000 1.394 288 V HN 0.564 nan 8.190 nan 0.000 0.494 289 N N 2.174 120.834 118.700 -0.067 0.000 2.104 289 N HA -0.086 4.654 4.740 -0.000 0.000 0.190 289 N C 0.133 175.317 175.510 -0.543 0.000 1.024 289 N CA 1.547 54.425 53.050 -0.287 0.000 0.853 289 N CB 0.015 38.355 38.487 -0.244 0.000 1.008 289 N HN 0.517 nan 8.380 nan 0.000 0.424 290 F N -0.125 119.858 119.950 0.055 0.000 2.513 290 F HA 0.542 5.069 4.527 -0.000 0.000 0.358 290 F C 0.788 176.562 175.800 -0.042 0.000 1.118 290 F CA -0.820 57.225 58.000 0.074 0.000 1.037 290 F CB 1.789 40.892 39.000 0.173 0.000 1.276 290 F HN -0.150 nan 8.300 nan 0.000 0.446 291 G N 2.256 111.017 108.800 -0.065 0.000 3.176 291 G HA2 0.686 4.646 3.960 -0.000 0.000 0.272 291 G HA3 0.686 4.646 3.960 -0.000 0.000 0.272 291 G C -3.163 171.438 174.900 -0.498 0.000 1.349 291 G CA -2.165 42.575 45.100 -0.599 0.000 0.953 291 G HN 0.137 nan 8.290 nan 0.000 0.559 292 P HA 0.243 nan 4.420 nan 0.000 0.267 292 P C -0.143 177.073 177.300 -0.140 0.000 1.200 292 P CA 0.331 63.223 63.100 -0.347 0.000 0.772 292 P CB 0.895 32.296 31.700 -0.499 0.000 0.855 293 T N -2.033 112.501 114.554 -0.033 0.000 2.883 293 T HA 0.381 4.731 4.350 -0.000 0.000 0.301 293 T C -0.530 174.178 174.700 0.013 0.000 1.158 293 T CA -0.879 61.220 62.100 -0.003 0.000 1.007 293 T CB 0.558 69.449 68.868 0.039 0.000 1.186 293 T HN -0.028 nan 8.240 nan 0.000 0.499 294 V N 3.610 123.531 119.914 0.011 0.000 2.390 294 V HA 0.141 4.261 4.120 -0.000 0.000 0.260 294 V C 1.145 177.263 176.094 0.041 0.000 1.043 294 V CA 0.171 62.481 62.300 0.017 0.000 1.047 294 V CB -0.534 31.292 31.823 0.005 0.000 1.066 294 V HN 1.053 nan 8.190 nan 0.000 0.481 295 D N 3.170 123.611 120.400 0.068 0.000 2.366 295 D HA 0.108 4.748 4.640 -0.000 0.000 0.205 295 D C 1.502 177.852 176.300 0.084 0.000 1.022 295 D CA 0.900 54.954 54.000 0.090 0.000 0.868 295 D CB 0.523 41.409 40.800 0.144 0.000 0.953 295 D HN 0.751 nan 8.370 nan 0.000 0.514 296 G N 0.753 109.595 108.800 0.070 0.000 2.176 296 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.253 296 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.253 296 G C 0.582 175.527 174.900 0.075 0.000 0.979 296 G CA 0.619 45.750 45.100 0.052 0.000 0.641 296 G HN 0.508 nan 8.290 nan 0.000 0.530 297 D N -1.200 119.285 120.400 0.143 0.000 3.234 297 D HA 0.232 4.872 4.640 -0.000 0.000 0.281 297 D C 1.795 178.237 176.300 0.238 0.000 1.405 297 D CA 0.593 54.725 54.000 0.219 0.000 1.115 297 D CB -0.298 40.705 40.800 0.338 0.000 1.198 297 D HN 0.185 nan 8.370 nan 0.000 0.388 298 F N 1.038 121.054 119.950 0.110 0.000 2.163 298 F HA 0.282 4.809 4.527 -0.000 0.000 0.297 298 F C 0.569 176.284 175.800 -0.141 0.000 1.094 298 F CA 0.822 58.723 58.000 -0.165 0.000 1.290 298 F CB 0.383 39.057 39.000 -0.543 0.000 1.017 298 F HN -0.094 nan 8.300 nan 0.000 0.483 299 L N 0.883 122.150 121.223 0.073 0.000 2.325 299 L HA 0.224 4.564 4.340 -0.000 0.000 0.281 299 L C 0.941 177.797 176.870 -0.023 0.000 1.004 299 L CA -0.210 54.614 54.840 -0.027 0.000 0.823 299 L CB 1.755 43.827 42.059 0.023 0.000 1.236 299 L HN 0.097 nan 8.230 nan 0.000 0.415 300 T N -2.021 112.495 114.554 -0.064 0.000 3.107 300 T HA 0.142 4.492 4.350 -0.000 0.000 0.249 300 T C 0.195 174.874 174.700 -0.035 0.000 1.096 300 T CA 0.006 62.081 62.100 -0.041 0.000 1.012 300 T CB 0.176 69.010 68.868 -0.057 0.000 0.977 300 T HN 0.495 nan 8.240 nan 0.000 0.527 301 D N -0.435 119.938 120.400 -0.045 0.000 2.710 301 D HA 0.253 4.893 4.640 -0.000 0.000 0.276 301 D C -1.086 175.187 176.300 -0.045 0.000 1.267 301 D CA -0.759 53.221 54.000 -0.034 0.000 0.772 301 D CB 1.187 41.968 40.800 -0.033 0.000 1.299 301 D HN 0.093 nan 8.370 nan 0.000 0.421 302 M N 2.459 122.043 119.600 -0.027 0.000 2.338 302 M HA 0.085 4.565 4.480 -0.000 0.000 0.360 302 M C -1.507 174.764 176.300 -0.048 0.000 1.547 302 M CA -0.751 54.534 55.300 -0.026 0.000 1.001 302 M CB 0.401 33.002 32.600 0.002 0.000 2.008 302 M HN 0.218 nan 8.290 nan 0.000 0.464 303 P HA -0.236 nan 4.420 nan 0.000 0.216 303 P C 0.722 178.025 177.300 0.004 0.000 1.154 303 P CA 1.476 64.414 63.100 -0.270 0.000 0.865 303 P CB -0.131 31.231 31.700 -0.562 0.000 0.789 304 D N -0.395 120.094 120.400 0.147 0.000 2.149 304 D HA -0.178 4.462 4.640 -0.000 0.000 0.198 304 D C 1.897 178.284 176.300 0.145 0.000 0.990 304 D CA 1.258 55.384 54.000 0.210 0.000 0.839 304 D CB -1.264 39.620 40.800 0.141 0.000 0.948 304 D HN 0.247 nan 8.370 nan 0.000 0.460 305 I N 0.215 120.834 120.570 0.082 0.000 2.233 305 I HA -0.187 3.983 4.170 -0.000 0.000 0.243 305 I C 2.632 178.790 176.117 0.067 0.000 1.093 305 I CA 0.605 61.944 61.300 0.065 0.000 1.380 305 I CB -0.211 37.808 38.000 0.032 0.000 1.067 305 I HN -0.053 nan 8.210 nan 0.000 0.413 306 L N 0.062 121.310 121.223 0.042 0.000 2.046 306 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 306 L C 2.606 179.571 176.870 0.159 0.000 1.077 306 L CA 0.976 55.843 54.840 0.045 0.000 0.747 306 L CB -0.595 41.460 42.059 -0.006 0.000 0.896 306 L HN 0.287 nan 8.230 nan 0.000 0.432 307 L N 0.391 121.748 121.223 0.223 0.000 1.994 307 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 307 L C 2.471 179.509 176.870 0.281 0.000 1.071 307 L CA 1.882 56.894 54.840 0.287 0.000 0.745 307 L CB -0.560 41.728 42.059 0.382 0.000 0.892 307 L HN 0.178 nan 8.230 nan 0.000 0.431 308 E N -0.268 120.072 120.200 0.232 0.000 2.160 308 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 308 E C 1.642 178.429 176.600 0.313 0.000 0.991 308 E CA 1.495 58.048 56.400 0.254 0.000 0.810 308 E CB -0.289 29.518 29.700 0.179 0.000 0.742 308 E HN 0.598 nan 8.360 nan 0.000 0.466 309 L N -0.831 120.490 121.223 0.163 0.000 2.728 309 L HA 0.337 4.677 4.340 -0.000 0.000 0.235 309 L C 1.104 177.709 176.870 -0.441 0.000 1.197 309 L CA 0.115 55.001 54.840 0.077 0.000 0.992 309 L CB -0.083 41.990 42.059 0.024 0.000 1.263 309 L HN 0.344 nan 8.230 nan 0.000 0.484 310 G N 0.162 108.469 108.800 -0.821 0.000 2.225 310 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.267 310 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.267 310 G C 0.302 174.283 174.900 -1.531 0.000 1.024 310 G CA -0.028 43.760 45.100 -2.188 0.000 0.784 310 G HN 0.390 nan 8.290 nan 0.000 0.507 311 Q N -0.381 119.025 119.800 -0.655 0.000 2.681 311 Q HA 0.572 4.912 4.340 -0.000 0.000 0.222 311 Q C 0.058 175.996 176.000 -0.102 0.000 1.258 311 Q CA 0.096 55.664 55.803 -0.391 0.000 1.014 311 Q CB -0.417 28.220 28.738 -0.169 0.000 1.384 311 Q HN 0.897 nan 8.270 nan 0.000 0.570 312 F N -2.306 117.559 119.950 -0.142 0.000 2.770 312 F HA 0.390 4.917 4.527 -0.000 0.000 0.313 312 F C -0.480 175.259 175.800 -0.102 0.000 1.154 312 F CA -1.600 56.405 58.000 0.008 0.000 0.923 312 F CB 0.941 39.993 39.000 0.086 0.000 1.301 312 F HN -0.077 nan 8.300 nan 0.000 0.449 313 K N 2.090 122.490 120.400 -0.000 0.000 2.453 313 K HA 0.075 4.395 4.320 -0.000 0.000 0.280 313 K C -0.688 175.948 176.600 0.061 0.000 1.045 313 K CA -0.200 55.883 56.287 -0.339 0.000 1.059 313 K CB 0.453 32.664 32.500 -0.480 0.000 0.901 313 K HN 0.490 nan 8.250 nan 0.000 0.475 314 K N 3.400 123.750 120.400 -0.084 0.000 2.284 314 K HA 0.154 4.474 4.320 -0.000 0.000 0.287 314 K C -0.020 176.634 176.600 0.091 0.000 1.081 314 K CA -0.087 56.201 56.287 0.001 0.000 0.910 314 K CB 1.271 33.712 32.500 -0.098 0.000 1.088 314 K HN 0.775 nan 8.250 nan 0.000 0.478 315 T N 1.204 115.929 114.554 0.285 0.000 2.661 315 T HA 0.257 4.607 4.350 -0.000 0.000 0.305 315 T C -1.444 173.488 174.700 0.386 0.000 1.441 315 T CA -0.654 61.589 62.100 0.237 0.000 0.999 315 T CB 0.795 69.744 68.868 0.135 0.000 1.650 315 T HN 0.358 nan 8.240 nan 0.000 0.489 316 Q N 1.191 121.166 119.800 0.291 0.000 2.259 316 Q HA 0.733 5.073 4.340 -0.000 0.000 0.246 316 Q C -0.133 176.157 176.000 0.484 0.000 0.920 316 Q CA -0.375 55.667 55.803 0.399 0.000 0.895 316 Q CB 0.953 29.925 28.738 0.390 0.000 1.220 316 Q HN 0.665 nan 8.270 nan 0.000 0.439 317 I N -1.683 119.118 120.570 0.385 0.000 2.828 317 I HA 0.667 4.837 4.170 -0.000 0.000 0.302 317 I C -1.423 174.626 176.117 -0.113 0.000 1.101 317 I CA -1.415 59.971 61.300 0.145 0.000 1.031 317 I CB 1.874 39.748 38.000 -0.211 0.000 1.231 317 I HN 0.511 nan 8.210 nan 0.000 0.427 318 L N 5.270 126.209 121.223 -0.473 0.000 2.376 318 L HA 0.763 5.103 4.340 -0.000 0.000 0.275 318 L C -1.483 175.175 176.870 -0.353 0.000 0.987 318 L CA -0.568 53.873 54.840 -0.664 0.000 0.828 318 L CB 1.673 42.863 42.059 -1.448 0.000 1.249 318 L HN 0.579 nan 8.230 nan 0.000 0.409 319 V N 3.638 123.397 119.914 -0.259 0.000 2.823 319 V HA 0.983 5.103 4.120 -0.000 0.000 0.312 319 V C 0.181 175.696 176.094 -0.965 0.000 1.072 319 V CA -0.291 61.773 62.300 -0.393 0.000 0.937 319 V CB 1.803 33.467 31.823 -0.266 0.000 1.013 319 V HN 0.905 nan 8.190 nan 0.000 0.430 320 G N 1.259 109.329 108.800 -1.216 0.000 2.559 320 G HA2 0.764 4.724 3.960 -0.000 0.000 0.291 320 G HA3 0.764 4.724 3.960 -0.000 0.000 0.291 320 G C -1.487 172.812 174.900 -1.001 0.000 1.424 320 G CA 0.112 43.943 45.100 -2.115 0.000 0.786 320 G HN 1.407 nan 8.290 nan 0.000 0.485 321 V N -2.477 117.099 119.914 -0.564 0.000 3.206 321 V HA 0.795 4.915 4.120 -0.000 0.000 0.305 321 V C -1.154 175.039 176.094 0.165 0.000 1.257 321 V CA -1.534 60.762 62.300 -0.006 0.000 1.057 321 V CB 1.903 33.838 31.823 0.187 0.000 1.075 321 V HN 0.661 nan 8.190 nan 0.000 0.443 322 N N 0.810 119.609 118.700 0.165 0.000 2.466 322 N HA 0.416 5.156 4.740 -0.000 0.000 0.294 322 N C 0.558 176.082 175.510 0.022 0.000 1.129 322 N CA -0.555 52.585 53.050 0.150 0.000 0.931 322 N CB 1.892 40.493 38.487 0.190 0.000 1.193 322 N HN 0.933 nan 8.380 nan 0.000 0.500 323 K N 0.134 120.433 120.400 -0.168 0.000 2.103 323 K HA -0.096 4.224 4.320 -0.000 0.000 0.207 323 K C -0.571 176.090 176.600 0.102 0.000 1.048 323 K CA 1.329 57.535 56.287 -0.134 0.000 0.930 323 K CB 0.201 32.588 32.500 -0.187 0.000 0.716 323 K HN 0.502 nan 8.250 nan 0.000 0.444 324 D N 0.903 121.352 120.400 0.082 0.000 3.010 324 D HA 0.029 4.669 4.640 -0.000 0.000 0.347 324 D C 0.282 176.628 176.300 0.077 0.000 1.340 324 D CA -0.084 53.976 54.000 0.100 0.000 0.858 324 D CB 1.078 41.923 40.800 0.076 0.000 1.111 324 D HN 0.154 nan 8.370 nan 0.000 0.482 325 E N 0.628 120.874 120.200 0.077 0.000 2.114 325 E HA -0.168 4.182 4.350 -0.000 0.000 0.199 325 E C 1.994 178.599 176.600 0.007 0.000 1.008 325 E CA 1.083 57.469 56.400 -0.024 0.000 0.810 325 E CB -0.003 29.655 29.700 -0.070 0.000 0.739 325 E HN 0.422 nan 8.360 nan 0.000 0.456 326 G N 1.004 109.859 108.800 0.091 0.000 2.430 326 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.216 326 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.216 326 G C 1.717 176.700 174.900 0.139 0.000 1.146 326 G CA 1.475 46.645 45.100 0.117 0.000 0.793 326 G HN 0.407 nan 8.290 nan 0.000 0.537 327 T N 0.401 115.010 114.554 0.091 0.000 2.649 327 T HA -0.209 4.141 4.350 -0.000 0.000 0.268 327 T C 2.545 177.229 174.700 -0.027 0.000 1.036 327 T CA 2.178 64.326 62.100 0.081 0.000 1.157 327 T CB -0.727 68.147 68.868 0.010 0.000 0.861 327 T HN 0.436 nan 8.240 nan 0.000 0.445 328 A N 1.071 123.785 122.820 -0.176 0.000 1.986 328 A HA 0.051 4.371 4.320 -0.000 0.000 0.220 328 A C 1.984 179.421 177.584 -0.245 0.000 1.171 328 A CA 1.611 53.402 52.037 -0.410 0.000 0.640 328 A CB -1.116 17.518 19.000 -0.610 0.000 0.811 328 A HN 0.617 nan 8.150 nan 0.000 0.451 329 F N -0.348 119.612 119.950 0.017 0.000 2.710 329 F HA 0.143 4.670 4.527 -0.000 0.000 0.298 329 F C 1.800 177.803 175.800 0.339 0.000 1.137 329 F CA 0.254 58.364 58.000 0.182 0.000 1.444 329 F CB -0.324 38.776 39.000 0.167 0.000 1.111 329 F HN 0.087 nan 8.300 nan 0.000 0.580 330 L N -0.032 121.375 121.223 0.307 0.000 2.083 330 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 330 L C 2.194 179.173 176.870 0.182 0.000 1.083 330 L CA 1.000 55.881 54.840 0.068 0.000 0.752 330 L CB -0.824 40.965 42.059 -0.449 0.000 0.899 330 L HN 0.158 nan 8.230 nan 0.000 0.433 331 V N -5.083 115.023 119.914 0.321 0.000 3.630 331 V HA -0.100 4.020 4.120 -0.000 0.000 0.273 331 V C 0.715 176.907 176.094 0.164 0.000 1.248 331 V CA 0.513 63.008 62.300 0.326 0.000 1.170 331 V CB -1.283 30.756 31.823 0.361 0.000 0.899 331 V HN 0.288 nan 8.190 nan 0.000 0.457 332 Y N 1.368 121.803 120.300 0.226 0.000 2.774 332 Y HA 0.725 5.275 4.550 -0.000 0.000 0.305 332 Y C 1.495 177.434 175.900 0.066 0.000 1.067 332 Y CA 0.101 58.288 58.100 0.145 0.000 1.304 332 Y CB 0.937 39.471 38.460 0.124 0.000 1.209 332 Y HN 0.337 nan 8.280 nan 0.000 0.543 333 G N -0.763 108.133 108.800 0.159 0.000 3.511 333 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.218 333 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.218 333 G C 0.144 175.079 174.900 0.059 0.000 1.001 333 G CA -0.297 44.833 45.100 0.051 0.000 0.877 333 G HN 0.374 nan 8.290 nan 0.000 0.450 334 A N 3.195 126.094 122.820 0.131 0.000 2.484 334 A HA 0.608 4.927 4.320 -0.000 0.000 0.268 334 A C -1.553 176.261 177.584 0.383 0.000 1.114 334 A CA -0.623 51.557 52.037 0.239 0.000 0.780 334 A CB -0.178 18.918 19.000 0.161 0.000 1.061 334 A HN 0.231 nan 8.150 nan 0.000 0.505 335 P HA 0.197 nan 4.420 nan 0.000 0.268 335 P C 0.915 178.339 177.300 0.207 0.000 1.205 335 P CA 1.353 64.577 63.100 0.208 0.000 0.771 335 P CB 1.025 32.802 31.700 0.128 0.000 0.858 336 G N 1.509 110.364 108.800 0.092 0.000 2.225 336 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.254 336 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.254 336 G C -0.165 174.606 174.900 -0.215 0.000 0.988 336 G CA -0.348 44.701 45.100 -0.085 0.000 0.625 336 G HN 0.436 nan 8.290 nan 0.000 0.527 337 F N 1.062 121.043 119.950 0.052 0.000 2.399 337 F HA 0.781 5.308 4.527 -0.000 0.000 0.328 337 F C 0.747 176.637 175.800 0.151 0.000 1.084 337 F CA 0.052 58.095 58.000 0.071 0.000 1.053 337 F CB 2.186 41.285 39.000 0.166 0.000 1.209 337 F HN 0.231 nan 8.300 nan 0.000 0.502 338 S N 0.521 116.472 115.700 0.419 0.000 2.556 338 S HA 0.215 4.685 4.470 -0.000 0.000 0.280 338 S C -0.096 174.780 174.600 0.459 0.000 1.141 338 S CA -0.917 57.495 58.200 0.353 0.000 0.883 338 S CB 1.095 64.409 63.200 0.191 0.000 1.103 338 S HN 0.757 nan 8.310 nan 0.000 0.453 339 K N 1.443 122.011 120.400 0.281 0.000 2.525 339 K HA 0.150 4.470 4.320 -0.000 0.000 0.192 339 K C -0.199 176.452 176.600 0.085 0.000 1.029 339 K CA 0.833 57.223 56.287 0.173 0.000 1.029 339 K CB -0.081 32.325 32.500 -0.156 0.000 0.814 339 K HN 0.427 nan 8.250 nan 0.000 0.503 340 D N 1.068 121.523 120.400 0.093 0.000 2.363 340 D HA 0.040 4.679 4.640 -0.000 0.000 0.214 340 D C -0.567 175.788 176.300 0.091 0.000 1.093 340 D CA 0.084 54.110 54.000 0.044 0.000 0.837 340 D CB 0.185 40.979 40.800 -0.010 0.000 0.948 340 D HN 0.483 nan 8.370 nan 0.000 0.507 341 N N -0.931 117.868 118.700 0.166 0.000 2.825 341 N HA 0.014 4.754 4.740 -0.000 0.000 0.253 341 N C 0.044 175.637 175.510 0.138 0.000 1.426 341 N CA -0.766 52.351 53.050 0.112 0.000 0.851 341 N CB 0.158 38.664 38.487 0.031 0.000 1.470 341 N HN -0.301 nan 8.380 nan 0.000 0.517 342 N N -0.851 117.868 118.700 0.032 0.000 2.635 342 N HA -0.065 4.675 4.740 -0.000 0.000 0.191 342 N C -0.641 174.573 175.510 -0.493 0.000 1.155 342 N CA 0.498 53.496 53.050 -0.087 0.000 0.927 342 N CB -0.324 38.140 38.487 -0.038 0.000 0.976 342 N HN 0.540 nan 8.380 nan 0.000 0.448 343 S N -0.633 114.797 115.700 -0.450 0.000 3.549 343 S HA -0.141 4.329 4.470 -0.000 0.000 0.366 343 S C -0.069 174.150 174.600 -0.634 0.000 1.012 343 S CA 0.198 58.006 58.200 -0.653 0.000 1.141 343 S CB -1.474 61.081 63.200 -1.074 0.000 0.910 343 S HN 0.411 nan 8.310 nan 0.000 0.471 344 I N 2.549 122.892 120.570 -0.378 0.000 2.471 344 I HA 0.145 4.315 4.170 -0.000 0.000 0.294 344 I C 0.927 176.889 176.117 -0.258 0.000 1.123 344 I CA 0.283 61.422 61.300 -0.270 0.000 1.336 344 I CB -0.874 37.029 38.000 -0.163 0.000 1.430 344 I HN 0.420 nan 8.210 nan 0.000 0.533 345 I N 3.901 124.309 120.570 -0.270 0.000 2.918 345 I HA 0.658 4.828 4.170 -0.000 0.000 0.316 345 I C 0.703 176.785 176.117 -0.059 0.000 1.001 345 I CA -0.617 60.560 61.300 -0.204 0.000 1.142 345 I CB 1.753 39.583 38.000 -0.283 0.000 1.356 345 I HN 0.498 nan 8.210 nan 0.000 0.524 346 T N -0.544 113.953 114.554 -0.096 0.000 2.923 346 T HA 0.354 4.704 4.350 -0.000 0.000 0.281 346 T C 0.916 175.334 174.700 -0.469 0.000 0.995 346 T CA -0.637 61.356 62.100 -0.177 0.000 0.985 346 T CB 1.679 70.475 68.868 -0.121 0.000 1.114 346 T HN 0.830 nan 8.240 nan 0.000 0.548 347 R N 0.172 120.168 120.500 -0.841 0.000 2.105 347 R HA -0.120 4.220 4.340 -0.000 0.000 0.239 347 R C 2.116 178.247 176.300 -0.283 0.000 1.135 347 R CA 1.553 57.013 56.100 -1.067 0.000 0.967 347 R CB -0.324 29.621 30.300 -0.591 0.000 0.861 347 R HN 0.610 nan 8.270 nan 0.000 0.442 348 K N 0.883 121.192 120.400 -0.151 0.000 2.097 348 K HA -0.125 4.195 4.320 -0.000 0.000 0.206 348 K C 1.675 178.293 176.600 0.031 0.000 1.049 348 K CA 1.801 58.074 56.287 -0.023 0.000 0.933 348 K CB 0.053 32.541 32.500 -0.020 0.000 0.717 348 K HN 0.301 nan 8.250 nan 0.000 0.442 349 E N -1.089 119.121 120.200 0.016 0.000 2.072 349 E HA -0.134 4.216 4.350 -0.000 0.000 0.190 349 E C 1.730 178.438 176.600 0.180 0.000 0.982 349 E CA 0.940 57.386 56.400 0.077 0.000 0.803 349 E CB -0.219 29.498 29.700 0.029 0.000 0.755 349 E HN 0.302 nan 8.360 nan 0.000 0.453 350 F N 2.238 122.209 119.950 0.035 0.000 2.095 350 F HA -0.270 4.257 4.527 -0.000 0.000 0.298 350 F C 2.152 178.047 175.800 0.158 0.000 1.104 350 F CA 1.761 59.856 58.000 0.159 0.000 1.232 350 F CB -0.081 39.018 39.000 0.164 0.000 0.987 350 F HN -0.054 nan 8.300 nan 0.000 0.475 351 Q N -0.255 119.756 119.800 0.351 0.000 2.124 351 Q HA -0.198 4.142 4.340 -0.000 0.000 0.202 351 Q C 2.076 178.147 176.000 0.117 0.000 0.977 351 Q CA 1.541 57.484 55.803 0.235 0.000 0.850 351 Q CB -0.283 28.573 28.738 0.198 0.000 0.901 351 Q HN 0.410 nan 8.270 nan 0.000 0.429 352 E N -0.011 120.252 120.200 0.105 0.000 2.150 352 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 352 E C 2.046 178.699 176.600 0.087 0.000 0.985 352 E CA 1.026 57.475 56.400 0.082 0.000 0.814 352 E CB -0.319 29.427 29.700 0.076 0.000 0.752 352 E HN 0.473 nan 8.360 nan 0.000 0.466 353 G N 1.241 110.104 108.800 0.105 0.000 2.418 353 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.217 353 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.217 353 G C 1.723 176.737 174.900 0.189 0.000 1.158 353 G CA 0.500 45.691 45.100 0.151 0.000 0.771 353 G HN 0.203 nan 8.290 nan 0.000 0.545 354 L N -0.088 121.188 121.223 0.089 0.000 2.083 354 L HA -0.068 4.272 4.340 -0.000 0.000 0.209 354 L C 2.983 180.029 176.870 0.294 0.000 1.083 354 L CA 0.980 55.963 54.840 0.239 0.000 0.752 354 L CB -0.330 41.776 42.059 0.078 0.000 0.899 354 L HN 0.117 nan 8.230 nan 0.000 0.433 355 K N 0.401 120.890 120.400 0.149 0.000 2.063 355 K HA -0.162 4.158 4.320 -0.000 0.000 0.208 355 K C 2.062 178.688 176.600 0.043 0.000 1.048 355 K CA 1.514 57.855 56.287 0.091 0.000 0.928 355 K CB -0.262 32.257 32.500 0.032 0.000 0.713 355 K HN 0.313 nan 8.250 nan 0.000 0.442 356 I N -0.322 120.240 120.570 -0.013 0.000 2.252 356 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 356 I C 1.812 177.730 176.117 -0.332 0.000 1.102 356 I CA 1.237 62.419 61.300 -0.197 0.000 1.385 356 I CB -0.130 37.677 38.000 -0.321 0.000 1.064 356 I HN -0.007 nan 8.210 nan 0.000 0.414 357 F N -0.681 119.229 119.950 -0.066 0.000 2.664 357 F HA 0.067 4.594 4.527 -0.000 0.000 0.296 357 F C 0.589 176.008 175.800 -0.635 0.000 1.125 357 F CA 0.545 58.342 58.000 -0.339 0.000 1.444 357 F CB 0.113 38.856 39.000 -0.428 0.000 1.114 357 F HN -0.119 nan 8.300 nan 0.000 0.576 358 F N 0.385 120.412 119.950 0.130 0.000 2.564 358 F HA 0.318 4.845 4.527 -0.000 0.000 0.329 358 F C -1.605 174.250 175.800 0.090 0.000 1.458 358 F CA -2.522 55.549 58.000 0.118 0.000 1.117 358 F CB -0.174 38.899 39.000 0.123 0.000 1.383 358 F HN -0.245 nan 8.300 nan 0.000 0.571 359 P HA -0.199 nan 4.420 nan 0.000 0.213 359 P C 1.632 179.004 177.300 0.120 0.000 1.176 359 P CA 2.028 65.189 63.100 0.102 0.000 0.919 359 P CB 0.201 31.961 31.700 0.101 0.000 0.791 360 G N -0.363 108.523 108.800 0.143 0.000 3.124 360 G HA2 0.180 4.140 3.960 -0.000 0.000 0.212 360 G HA3 0.180 4.140 3.960 -0.000 0.000 0.212 360 G C 0.458 175.429 174.900 0.118 0.000 1.181 360 G CA -0.137 45.039 45.100 0.125 0.000 0.803 360 G HN 0.187 nan 8.290 nan 0.000 0.529 361 V N 1.689 121.699 119.914 0.160 0.000 2.649 361 V HA 0.301 4.421 4.120 -0.000 0.000 0.292 361 V C 1.073 177.231 176.094 0.107 0.000 1.055 361 V CA -0.641 61.744 62.300 0.142 0.000 1.023 361 V CB 1.256 33.230 31.823 0.252 0.000 0.992 361 V HN 0.444 nan 8.190 nan 0.000 0.480 362 S N 2.748 118.495 115.700 0.078 0.000 2.580 362 S HA 0.049 4.519 4.470 -0.000 0.000 0.266 362 S C 0.980 175.651 174.600 0.119 0.000 1.354 362 S CA 0.047 58.304 58.200 0.096 0.000 1.008 362 S CB 0.659 63.927 63.200 0.114 0.000 0.898 362 S HN 0.751 nan 8.310 nan 0.000 0.555 363 E N 0.382 120.658 120.200 0.128 0.000 2.110 363 E HA -0.056 4.294 4.350 -0.000 0.000 0.193 363 E C 1.458 178.156 176.600 0.162 0.000 0.988 363 E CA 1.398 57.875 56.400 0.129 0.000 0.804 363 E CB -0.424 29.346 29.700 0.118 0.000 0.745 363 E HN 0.763 nan 8.360 nan 0.000 0.458 364 F N -0.217 119.771 119.950 0.063 0.000 2.186 364 F HA -0.027 4.499 4.527 -0.000 0.000 0.299 364 F C 1.988 177.864 175.800 0.126 0.000 1.090 364 F CA 1.724 59.773 58.000 0.082 0.000 1.307 364 F CB -0.488 38.548 39.000 0.061 0.000 1.019 364 F HN 0.089 nan 8.300 nan 0.000 0.489 365 G N 0.565 109.366 108.800 0.003 0.000 2.440 365 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.218 365 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.218 365 G C 1.647 176.565 174.900 0.031 0.000 1.154 365 G CA 1.040 46.105 45.100 -0.059 0.000 0.767 365 G HN 0.388 nan 8.290 nan 0.000 0.552 366 K N -0.017 120.404 120.400 0.035 0.000 2.155 366 K HA 0.038 4.358 4.320 -0.000 0.000 0.203 366 K C 2.298 178.922 176.600 0.040 0.000 1.052 366 K CA 1.018 57.319 56.287 0.023 0.000 0.948 366 K CB -0.006 32.532 32.500 0.063 0.000 0.728 366 K HN 0.242 nan 8.250 nan 0.000 0.448 367 E N 1.240 121.448 120.200 0.014 0.000 2.106 367 E HA -0.156 4.194 4.350 -0.000 0.000 0.192 367 E C 1.890 178.500 176.600 0.015 0.000 0.984 367 E CA 1.698 58.116 56.400 0.031 0.000 0.806 367 E CB -0.023 29.693 29.700 0.026 0.000 0.750 367 E HN 0.269 nan 8.360 nan 0.000 0.458 368 S N -0.189 115.455 115.700 -0.094 0.000 2.382 368 S HA -0.155 4.315 4.470 -0.000 0.000 0.228 368 S C 2.095 176.771 174.600 0.127 0.000 1.027 368 S CA 1.158 59.386 58.200 0.046 0.000 0.991 368 S CB -0.557 62.782 63.200 0.232 0.000 0.823 368 S HN 0.322 nan 8.310 nan 0.000 0.469 369 I N 0.927 121.560 120.570 0.105 0.000 2.163 369 I HA -0.120 4.050 4.170 -0.000 0.000 0.240 369 I C 2.559 178.744 176.117 0.114 0.000 1.081 369 I CA 1.179 62.472 61.300 -0.012 0.000 1.353 369 I CB -0.450 37.499 38.000 -0.085 0.000 1.054 369 I HN 0.288 nan 8.210 nan 0.000 0.407 370 L N 0.604 121.938 121.223 0.186 0.000 2.012 370 L HA -0.277 4.063 4.340 -0.000 0.000 0.210 370 L C 2.413 179.278 176.870 -0.009 0.000 1.073 370 L CA 1.886 56.838 54.840 0.187 0.000 0.748 370 L CB -0.709 41.472 42.059 0.204 0.000 0.891 370 L HN 0.176 nan 8.230 nan 0.000 0.431 371 F N -0.536 119.342 119.950 -0.119 0.000 2.095 371 F HA -0.305 4.222 4.527 -0.000 0.000 0.298 371 F C 2.563 178.188 175.800 -0.291 0.000 1.104 371 F CA 2.199 60.081 58.000 -0.196 0.000 1.232 371 F CB -0.426 38.482 39.000 -0.153 0.000 0.987 371 F HN 0.352 nan 8.300 nan 0.000 0.475 372 H N -1.674 117.178 119.070 -0.363 0.000 2.389 372 H HA -0.145 4.411 4.556 -0.000 0.000 0.299 372 H C 1.314 176.220 175.328 -0.703 0.000 1.081 372 H CA 2.252 57.907 56.048 -0.656 0.000 1.345 372 H CB -0.347 28.752 29.762 -1.107 0.000 1.393 372 H HN 0.400 nan 8.280 nan 0.000 0.520 373 Y N -0.568 119.501 120.300 -0.387 0.000 2.457 373 Y HA 0.097 4.647 4.550 -0.000 0.000 0.263 373 Y C 1.471 177.015 175.900 -0.593 0.000 1.164 373 Y CA 0.716 58.630 58.100 -0.310 0.000 1.274 373 Y CB 0.620 39.092 38.460 0.020 0.000 1.097 373 Y HN 0.327 nan 8.280 nan 0.000 0.523 374 T N -4.759 109.319 114.554 -0.792 0.000 3.182 374 T HA 0.118 4.468 4.350 -0.000 0.000 0.277 374 T C -0.011 173.685 174.700 -1.673 0.000 1.013 374 T CA -0.343 60.792 62.100 -1.609 0.000 0.900 374 T CB -0.268 67.886 68.868 -1.190 0.000 1.098 374 T HN -0.026 nan 8.240 nan 0.000 0.543 375 D N 2.009 121.788 120.400 -1.035 0.000 2.551 375 D HA 0.209 4.849 4.640 -0.000 0.000 0.223 375 D C -0.349 175.690 176.300 -0.435 0.000 1.144 375 D CA -0.546 53.020 54.000 -0.724 0.000 1.025 375 D CB -0.274 40.157 40.800 -0.615 0.000 1.085 375 D HN 0.481 nan 8.370 nan 0.000 0.506 376 W N 2.442 123.600 121.300 -0.237 0.000 2.409 376 W HA 0.054 4.714 4.660 -0.000 0.000 0.338 376 W C 0.553 176.982 176.519 -0.150 0.000 1.273 376 W CA -1.148 56.080 57.345 -0.196 0.000 1.299 376 W CB 0.371 29.715 29.460 -0.194 0.000 1.192 376 W HN -0.013 nan 8.180 nan 0.000 0.565 381 R N 3.353 123.698 120.500 -0.258 0.000 2.442 381 R HA 0.153 4.493 4.340 -0.000 0.000 0.291 381 R C -1.723 174.414 176.300 -0.271 0.000 1.069 381 R CA -0.667 55.290 56.100 -0.239 0.000 1.022 381 R CB 0.709 30.858 30.300 -0.252 0.000 0.976 381 R HN 0.365 nan 8.270 nan 0.000 0.443 382 P HA -0.170 nan 4.420 nan 0.000 0.223 382 P C 0.244 177.453 177.300 -0.151 0.000 1.151 382 P CA 1.274 64.289 63.100 -0.142 0.000 0.787 382 P CB 0.348 31.990 31.700 -0.096 0.000 0.788 383 E N -1.147 118.951 120.200 -0.170 0.000 2.465 383 E HA 0.051 4.401 4.350 -0.000 0.000 0.195 383 E C 0.995 177.480 176.600 -0.192 0.000 1.028 383 E CA -0.190 56.128 56.400 -0.138 0.000 0.899 383 E CB -0.777 28.878 29.700 -0.076 0.000 1.032 383 E HN 0.088 nan 8.360 nan 0.000 0.468 384 N N 1.296 119.732 118.700 -0.440 0.000 2.036 384 N HA -0.182 4.558 4.740 -0.000 0.000 0.195 384 N C 1.312 176.539 175.510 -0.472 0.000 1.037 384 N CA 1.447 54.002 53.050 -0.825 0.000 0.855 384 N CB -0.522 36.744 38.487 -2.036 0.000 1.033 384 N HN 0.280 nan 8.380 nan 0.000 0.423 385 Y N 1.176 121.381 120.300 -0.157 0.000 2.293 385 Y HA -0.007 4.542 4.550 -0.000 0.000 0.291 385 Y C 2.608 178.712 175.900 0.340 0.000 1.137 385 Y CA 0.831 59.039 58.100 0.181 0.000 1.202 385 Y CB -0.279 38.277 38.460 0.161 0.000 0.990 385 Y HN 0.056 nan 8.280 nan 0.000 0.537 386 R N 0.796 121.467 120.500 0.286 0.000 2.073 386 R HA -0.166 4.173 4.340 -0.000 0.000 0.234 386 R C 1.825 178.341 176.300 0.360 0.000 1.134 386 R CA 1.916 58.183 56.100 0.278 0.000 0.952 386 R CB -0.124 30.166 30.300 -0.018 0.000 0.850 386 R HN 0.413 nan 8.270 nan 0.000 0.433 387 E N -0.142 120.212 120.200 0.257 0.000 2.152 387 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 387 E C 1.923 178.723 176.600 0.333 0.000 0.983 387 E CA 0.902 57.467 56.400 0.274 0.000 0.818 387 E CB -0.032 29.782 29.700 0.191 0.000 0.758 387 E HN 0.437 nan 8.360 nan 0.000 0.467 388 A N 1.516 124.582 122.820 0.410 0.000 1.898 388 A HA -0.144 4.176 4.320 -0.000 0.000 0.216 388 A C 2.181 180.057 177.584 0.486 0.000 1.181 388 A CA 0.879 53.225 52.037 0.514 0.000 0.620 388 A CB -0.449 18.906 19.000 0.591 0.000 0.819 388 A HN 0.190 nan 8.150 nan 0.000 0.442 389 L N 0.092 121.662 121.223 0.578 0.000 2.093 389 L HA 0.011 4.351 4.340 -0.000 0.000 0.208 389 L C 2.405 179.300 176.870 0.043 0.000 1.085 389 L CA 2.115 57.095 54.840 0.232 0.000 0.755 389 L CB -1.000 41.195 42.059 0.227 0.000 0.904 389 L HN 0.311 nan 8.230 nan 0.000 0.435 390 G N -1.138 107.755 108.800 0.154 0.000 2.421 390 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.216 390 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.216 390 G C 1.296 176.245 174.900 0.080 0.000 1.171 390 G CA 0.861 46.025 45.100 0.107 0.000 0.775 390 G HN 0.410 nan 8.290 nan 0.000 0.543 391 D N 0.181 120.673 120.400 0.152 0.000 2.144 391 D HA -0.072 4.568 4.640 -0.000 0.000 0.200 391 D C 2.763 179.094 176.300 0.051 0.000 0.978 391 D CA 0.555 54.670 54.000 0.192 0.000 0.833 391 D CB -0.272 40.748 40.800 0.366 0.000 0.961 391 D HN 0.194 nan 8.370 nan 0.000 0.470 392 V N 0.907 120.703 119.914 -0.197 0.000 2.255 392 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 392 V C 2.713 178.699 176.094 -0.180 0.000 1.051 392 V CA 1.190 63.292 62.300 -0.329 0.000 1.018 392 V CB -0.487 31.160 31.823 -0.292 0.000 0.641 392 V HN 0.051 nan 8.190 nan 0.000 0.445 393 V N 0.694 120.451 119.914 -0.261 0.000 2.343 393 V HA -0.183 3.937 4.120 -0.000 0.000 0.247 393 V C 2.584 178.559 176.094 -0.199 0.000 1.051 393 V CA 2.216 64.281 62.300 -0.390 0.000 1.036 393 V CB -1.385 30.023 31.823 -0.692 0.000 0.654 393 V HN 0.625 nan 8.190 nan 0.000 0.451 394 G N -0.452 108.324 108.800 -0.041 0.000 2.404 394 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.215 394 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.215 394 G C 1.243 176.201 174.900 0.097 0.000 1.174 394 G CA 0.954 46.128 45.100 0.122 0.000 0.780 394 G HN 0.493 nan 8.290 nan 0.000 0.537 395 D N -0.522 119.913 120.400 0.058 0.000 2.097 395 D HA -0.115 4.525 4.640 -0.000 0.000 0.195 395 D C 1.983 178.086 176.300 -0.329 0.000 0.989 395 D CA 0.869 54.897 54.000 0.046 0.000 0.827 395 D CB -0.407 40.614 40.800 0.368 0.000 0.966 395 D HN 0.343 nan 8.370 nan 0.000 0.456 396 Y N 1.744 121.487 120.300 -0.929 0.000 2.163 396 Y HA -0.102 4.448 4.550 -0.000 0.000 0.288 396 Y C 1.776 177.282 175.900 -0.657 0.000 1.136 396 Y CA 1.455 58.792 58.100 -1.272 0.000 1.147 396 Y CB -0.239 37.275 38.460 -1.577 0.000 0.987 396 Y HN -0.091 nan 8.280 nan 0.000 0.509 397 N N -1.258 117.016 118.700 -0.710 0.000 2.376 397 N HA -0.024 4.716 4.740 -0.000 0.000 0.177 397 N C 0.828 175.774 175.510 -0.940 0.000 1.024 397 N CA 1.310 53.811 53.050 -0.916 0.000 0.893 397 N CB 0.044 37.931 38.487 -1.000 0.000 0.980 397 N HN 0.387 nan 8.380 nan 0.000 0.439 398 F N -0.215 119.645 119.950 -0.150 0.000 2.102 398 F HA 0.338 4.865 4.527 -0.000 0.000 0.254 398 F C 2.035 177.825 175.800 -0.017 0.000 0.975 398 F CA -0.449 57.526 58.000 -0.041 0.000 1.176 398 F CB -0.168 38.832 39.000 -0.000 0.000 1.358 398 F HN -0.232 nan 8.300 nan 0.000 0.728 399 I N 0.418 121.131 120.570 0.237 0.000 2.099 399 I HA -0.347 3.823 4.170 -0.000 0.000 0.239 399 I C 2.195 178.391 176.117 0.132 0.000 1.066 399 I CA 1.597 63.023 61.300 0.211 0.000 1.324 399 I CB -0.621 37.516 38.000 0.229 0.000 1.037 399 I HN 0.324 nan 8.210 nan 0.000 0.401 400 c N 0.653 119.303 118.600 0.084 0.000 2.429 400 c HA -0.062 4.508 4.570 -0.000 0.000 0.277 400 c C 0.293 174.399 174.090 0.027 0.000 1.262 400 c CA 0.803 57.184 56.329 0.085 0.000 1.733 400 c CB -1.913 40.696 42.510 0.166 0.000 2.010 400 c HN 0.380 nan 8.230 nan 0.000 0.483 401 P HA -0.038 nan 4.420 nan 0.000 0.217 401 P C 1.590 178.858 177.300 -0.053 0.000 1.150 401 P CA 2.149 65.177 63.100 -0.120 0.000 0.832 401 P CB -0.149 31.377 31.700 -0.290 0.000 0.787 402 A N -0.625 122.203 122.820 0.013 0.000 1.898 402 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 402 A C 2.185 179.891 177.584 0.204 0.000 1.181 402 A CA 1.359 53.456 52.037 0.100 0.000 0.620 402 A CB -1.626 17.476 19.000 0.171 0.000 0.819 402 A HN 0.102 nan 8.150 nan 0.000 0.442 403 L N -1.037 120.255 121.223 0.115 0.000 2.056 403 L HA -0.167 4.173 4.340 -0.000 0.000 0.207 403 L C 2.673 179.537 176.870 -0.010 0.000 1.078 403 L CA 1.620 56.415 54.840 -0.075 0.000 0.749 403 L CB -0.366 41.607 42.059 -0.143 0.000 0.901 403 L HN 0.389 nan 8.230 nan 0.000 0.433 404 E N 0.127 120.352 120.200 0.041 0.000 2.077 404 E HA -0.264 4.086 4.350 -0.000 0.000 0.193 404 E C 1.936 178.558 176.600 0.036 0.000 0.989 404 E CA 1.340 57.770 56.400 0.050 0.000 0.800 404 E CB -0.297 29.430 29.700 0.046 0.000 0.746 404 E HN 0.365 nan 8.360 nan 0.000 0.452 405 F N 0.534 120.414 119.950 -0.117 0.000 2.134 405 F HA -0.194 4.333 4.527 -0.000 0.000 0.299 405 F C 2.108 177.864 175.800 -0.073 0.000 1.097 405 F CA 2.025 59.927 58.000 -0.163 0.000 1.264 405 F CB -0.626 38.193 39.000 -0.301 0.000 1.001 405 F HN -0.017 nan 8.300 nan 0.000 0.479 406 T N 0.758 115.312 114.554 0.000 0.000 2.746 406 T HA -0.195 4.155 4.350 -0.000 0.000 0.267 406 T C 2.065 176.701 174.700 -0.106 0.000 1.039 406 T CA 1.453 63.460 62.100 -0.155 0.000 1.142 406 T CB -0.302 68.329 68.868 -0.394 0.000 0.866 406 T HN 0.178 nan 8.240 nan 0.000 0.444 407 K N 1.191 121.596 120.400 0.008 0.000 2.002 407 K HA -0.107 4.213 4.320 -0.000 0.000 0.209 407 K C 2.336 179.021 176.600 0.141 0.000 1.048 407 K CA 1.330 57.759 56.287 0.236 0.000 0.930 407 K CB -0.127 32.506 32.500 0.221 0.000 0.714 407 K HN 0.267 nan 8.250 nan 0.000 0.438 408 K N -0.412 120.022 120.400 0.056 0.000 2.097 408 K HA -0.161 4.159 4.320 -0.000 0.000 0.206 408 K C 2.131 178.809 176.600 0.129 0.000 1.049 408 K CA 1.334 57.673 56.287 0.087 0.000 0.933 408 K CB -0.269 32.259 32.500 0.046 0.000 0.717 408 K HN 0.121 nan 8.250 nan 0.000 0.442 409 F N 2.166 121.956 119.950 -0.267 0.000 2.113 409 F HA -0.238 4.289 4.527 -0.000 0.000 0.297 409 F C 2.591 178.463 175.800 0.120 0.000 1.103 409 F CA 1.839 59.666 58.000 -0.287 0.000 1.248 409 F CB -0.262 38.304 39.000 -0.724 0.000 0.999 409 F HN 0.013 nan 8.300 nan 0.000 0.475 410 S N -0.530 115.346 115.700 0.293 0.000 2.447 410 S HA -0.195 4.275 4.470 -0.000 0.000 0.233 410 S C 1.664 176.355 174.600 0.152 0.000 1.006 410 S CA 1.225 59.580 58.200 0.258 0.000 0.957 410 S CB -0.800 62.578 63.200 0.297 0.000 0.773 410 S HN 0.599 nan 8.310 nan 0.000 0.507 411 E N -0.050 120.224 120.200 0.124 0.000 2.331 411 E HA -0.104 4.246 4.350 -0.000 0.000 0.199 411 E C 0.228 176.692 176.600 -0.227 0.000 1.008 411 E CA 0.927 57.296 56.400 -0.052 0.000 0.843 411 E CB -0.170 29.470 29.700 -0.101 0.000 0.761 411 E HN 0.804 nan 8.360 nan 0.000 0.507 412 W N -0.096 121.190 121.300 -0.023 0.000 3.305 412 W HA 0.284 4.943 4.660 -0.000 0.000 0.392 412 W C 1.270 177.738 176.519 -0.085 0.000 1.121 412 W CA 0.455 57.753 57.345 -0.078 0.000 1.909 412 W CB 0.660 30.030 29.460 -0.150 0.000 1.065 412 W HN 0.106 nan 8.180 nan 0.000 0.714 413 G N 0.177 109.020 108.800 0.070 0.000 2.213 413 G HA2 -0.297 3.662 3.960 -0.000 0.000 0.236 413 G HA3 -0.297 3.662 3.960 -0.000 0.000 0.236 413 G C 0.218 175.166 174.900 0.081 0.000 0.991 413 G CA -0.316 44.817 45.100 0.055 0.000 0.629 413 G HN 0.327 nan 8.290 nan 0.000 0.517 414 N N 0.915 119.685 118.700 0.116 0.000 2.529 414 N HA 0.402 5.142 4.740 -0.000 0.000 0.278 414 N C 0.024 175.649 175.510 0.193 0.000 1.146 414 N CA -0.319 52.840 53.050 0.180 0.000 0.980 414 N CB 0.415 39.077 38.487 0.291 0.000 1.124 414 N HN 0.398 nan 8.380 nan 0.000 0.458 415 N N 0.582 119.375 118.700 0.155 0.000 2.492 415 N HA 0.300 5.040 4.740 -0.000 0.000 0.262 415 N C -0.992 174.525 175.510 0.012 0.000 1.202 415 N CA -0.147 52.920 53.050 0.028 0.000 0.926 415 N CB 0.544 39.069 38.487 0.063 0.000 1.078 415 N HN 0.474 nan 8.380 nan 0.000 0.454 416 A N 2.488 125.169 122.820 -0.231 0.000 2.475 416 A HA 0.720 5.040 4.320 -0.000 0.000 0.301 416 A C -1.536 175.749 177.584 -0.499 0.000 1.059 416 A CA -0.574 51.371 52.037 -0.154 0.000 0.710 416 A CB 0.889 19.933 19.000 0.072 0.000 1.288 416 A HN 0.559 nan 8.150 nan 0.000 0.408 417 F N 0.522 120.446 119.950 -0.044 0.000 2.540 417 F HA 0.687 5.214 4.527 -0.000 0.000 0.317 417 F C -0.667 175.255 175.800 0.203 0.000 1.104 417 F CA -0.555 57.387 58.000 -0.095 0.000 0.913 417 F CB 2.122 40.538 39.000 -0.972 0.000 1.170 417 F HN 0.528 nan 8.300 nan 0.000 0.450 418 F N 4.025 124.414 119.950 0.731 0.000 2.520 418 F HA 0.602 5.129 4.527 -0.000 0.000 0.322 418 F C -1.111 175.213 175.800 0.873 0.000 1.103 418 F CA -1.301 57.051 58.000 0.586 0.000 0.926 418 F CB 1.192 40.374 39.000 0.303 0.000 1.154 418 F HN 0.443 nan 8.300 nan 0.000 0.453 419 Y N 3.801 124.351 120.300 0.417 0.000 2.562 419 Y HA 0.675 5.225 4.550 -0.000 0.000 0.343 419 Y C -2.156 174.026 175.900 0.468 0.000 1.025 419 Y CA -1.755 56.601 58.100 0.427 0.000 1.082 419 Y CB 1.213 39.866 38.460 0.322 0.000 1.264 419 Y HN 0.565 nan 8.280 nan 0.000 0.478 420 Y N 3.982 124.611 120.300 0.550 0.000 2.426 420 Y HA 0.406 4.956 4.550 -0.000 0.000 0.325 420 Y C -1.831 174.347 175.900 0.463 0.000 0.989 420 Y CA -2.442 55.920 58.100 0.438 0.000 1.284 420 Y CB 0.585 39.310 38.460 0.442 0.000 1.104 420 Y HN 0.747 nan 8.280 nan 0.000 0.481 421 F N 6.636 126.686 119.950 0.168 0.000 2.438 421 F HA 0.251 4.778 4.527 -0.000 0.000 0.360 421 F C 0.588 176.267 175.800 -0.203 0.000 1.118 421 F CA -0.009 58.019 58.000 0.046 0.000 1.164 421 F CB 0.587 39.678 39.000 0.151 0.000 1.131 421 F HN 0.647 nan 8.300 nan 0.000 0.527 422 E N 3.357 123.206 120.200 -0.586 0.000 2.869 422 E HA 0.093 4.443 4.350 -0.000 0.000 0.207 422 E C -0.854 175.488 176.600 -0.430 0.000 0.986 422 E CA -0.461 55.676 56.400 -0.438 0.000 1.131 422 E CB -0.032 29.518 29.700 -0.250 0.000 1.098 422 E HN 0.624 nan 8.360 nan 0.000 0.459 423 H N 1.346 119.892 119.070 -0.872 0.000 2.476 423 H HA 0.347 4.903 4.556 -0.000 0.000 0.328 423 H C -0.857 174.303 175.328 -0.281 0.000 1.073 423 H CA -0.791 54.909 56.048 -0.580 0.000 1.229 423 H CB 1.164 30.476 29.762 -0.750 0.000 1.432 423 H HN 0.030 nan 8.280 nan 0.000 0.477 424 R N 4.408 124.444 120.500 -0.772 0.000 2.221 424 R HA 0.237 4.577 4.340 -0.000 0.000 0.327 424 R C -0.453 175.550 176.300 -0.496 0.000 1.033 424 R CA -0.465 55.381 56.100 -0.423 0.000 0.887 424 R CB 0.631 30.788 30.300 -0.239 0.000 1.057 424 R HN 0.704 nan 8.270 nan 0.000 0.455 425 S N 2.185 117.884 115.700 -0.002 0.000 2.563 425 S HA -0.084 4.386 4.470 -0.000 0.000 0.294 425 S C 1.442 176.131 174.600 0.148 0.000 1.279 425 S CA 0.353 58.747 58.200 0.323 0.000 1.069 425 S CB 0.565 64.058 63.200 0.488 0.000 0.828 425 S HN 0.793 nan 8.310 nan 0.000 0.497 426 S N 4.164 120.000 115.700 0.227 0.000 2.469 426 S HA -0.043 4.427 4.470 -0.000 0.000 0.238 426 S C 0.969 175.571 174.600 0.003 0.000 0.998 426 S CA 0.779 59.038 58.200 0.097 0.000 0.957 426 S CB -0.260 63.017 63.200 0.129 0.000 0.764 426 S HN 0.828 nan 8.310 nan 0.000 0.514 427 K N 0.819 121.202 120.400 -0.027 0.000 2.397 427 K HA 0.346 4.666 4.320 -0.000 0.000 0.202 427 K C -0.115 176.443 176.600 -0.071 0.000 1.022 427 K CA -0.366 55.851 56.287 -0.116 0.000 1.141 427 K CB 0.198 32.526 32.500 -0.287 0.000 0.857 427 K HN 0.285 nan 8.250 nan 0.000 0.514 428 L N 3.097 124.300 121.223 -0.034 0.000 2.534 428 L HA 0.039 4.379 4.340 -0.000 0.000 0.271 428 L C -1.594 175.226 176.870 -0.083 0.000 1.178 428 L CA -0.644 54.152 54.840 -0.074 0.000 0.907 428 L CB 0.840 42.844 42.059 -0.093 0.000 1.164 428 L HN 0.024 nan 8.230 nan 0.000 0.482 429 P HA -0.053 nan 4.420 nan 0.000 0.222 429 P C -0.453 176.801 177.300 -0.077 0.000 1.153 429 P CA 0.625 63.598 63.100 -0.211 0.000 0.798 429 P CB 0.159 31.512 31.700 -0.578 0.000 0.796 430 W N 1.930 123.216 121.300 -0.024 0.000 2.126 430 W HA 0.239 4.899 4.660 -0.000 0.000 0.346 430 W C -1.579 174.843 176.519 -0.161 0.000 1.279 430 W CA -1.953 55.360 57.345 -0.053 0.000 1.259 430 W CB -0.968 28.381 29.460 -0.185 0.000 1.133 430 W HN -0.124 nan 8.180 nan 0.000 0.592 431 P HA -0.063 nan 4.420 nan 0.000 0.270 431 P C 0.443 177.647 177.300 -0.159 0.000 1.223 431 P CA 0.244 63.295 63.100 -0.083 0.000 0.785 431 P CB 0.995 32.645 31.700 -0.083 0.000 0.923 432 E N 1.178 121.356 120.200 -0.036 0.000 2.160 432 E HA -0.146 4.204 4.350 -0.000 0.000 0.195 432 E C 1.779 178.403 176.600 0.039 0.000 0.991 432 E CA 1.345 57.746 56.400 0.001 0.000 0.810 432 E CB -0.458 29.277 29.700 0.058 0.000 0.742 432 E HN 0.709 nan 8.360 nan 0.000 0.466 433 W N -0.266 121.078 121.300 0.074 0.000 2.611 433 W HA -0.027 4.633 4.660 -0.000 0.000 0.251 433 W C 1.268 177.845 176.519 0.097 0.000 1.265 433 W CA 0.278 57.674 57.345 0.086 0.000 1.295 433 W CB -0.699 28.822 29.460 0.101 0.000 1.129 433 W HN -0.026 nan 8.180 nan 0.000 0.630 434 M N 1.234 120.541 119.600 -0.487 0.000 2.541 434 M HA 0.164 4.644 4.480 -0.000 0.000 0.252 434 M C 1.754 177.958 176.300 -0.160 0.000 1.125 434 M CA 1.177 56.181 55.300 -0.493 0.000 1.091 434 M CB -0.550 31.594 32.600 -0.759 0.000 1.420 434 M HN 0.111 nan 8.290 nan 0.000 0.486 435 G N 0.970 109.722 108.800 -0.081 0.000 2.614 435 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.303 435 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.303 435 G C -0.069 174.799 174.900 -0.054 0.000 1.270 435 G CA -0.129 44.951 45.100 -0.032 0.000 0.988 435 G HN 0.229 nan 8.290 nan 0.000 0.551 436 V N 2.113 122.016 119.914 -0.019 0.000 2.229 436 V HA 0.322 4.442 4.120 -0.000 0.000 0.245 436 V C 1.272 177.409 176.094 0.071 0.000 1.243 436 V CA 0.484 62.797 62.300 0.023 0.000 1.176 436 V CB -0.288 31.538 31.823 0.005 0.000 1.323 436 V HN 0.488 nan 8.190 nan 0.000 0.499 437 M N 2.259 121.887 119.600 0.047 0.000 2.240 437 M HA 0.164 4.643 4.480 -0.000 0.000 0.317 437 M C 0.668 177.075 176.300 0.179 0.000 1.087 437 M CA -0.137 55.200 55.300 0.060 0.000 1.176 437 M CB 0.073 32.634 32.600 -0.065 0.000 1.439 437 M HN 0.612 nan 8.290 nan 0.000 0.452 438 H N 0.540 119.575 119.070 -0.058 0.000 2.964 438 H HA 0.232 4.788 4.556 -0.000 0.000 0.328 438 H C 1.020 176.237 175.328 -0.185 0.000 1.030 438 H CA 1.541 57.476 56.048 -0.188 0.000 1.445 438 H CB 0.201 29.756 29.762 -0.345 0.000 1.449 438 H HN 0.742 nan 8.280 nan 0.000 0.581 439 G N 3.646 112.084 108.800 -0.604 0.000 2.176 439 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.253 439 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.253 439 G C 0.427 175.109 174.900 -0.364 0.000 0.979 439 G CA 0.499 45.214 45.100 -0.642 0.000 0.641 439 G HN 0.654 nan 8.290 nan 0.000 0.530 440 Y N 1.149 121.472 120.300 0.037 0.000 2.583 440 Y HA 0.311 4.861 4.550 -0.000 0.000 0.294 440 Y C 2.052 178.035 175.900 0.137 0.000 1.170 440 Y CA 0.642 58.855 58.100 0.189 0.000 1.265 440 Y CB 0.489 39.094 38.460 0.242 0.000 1.119 440 Y HN 0.473 nan 8.280 nan 0.000 0.522 441 E N -0.454 119.687 120.200 -0.099 0.000 2.447 441 E HA 0.004 4.353 4.350 -0.000 0.000 0.204 441 E C 1.542 178.053 176.600 -0.148 0.000 0.977 441 E CA 0.418 56.461 56.400 -0.594 0.000 0.950 441 E CB -0.425 28.469 29.700 -1.343 0.000 0.975 441 E HN 0.526 nan 8.360 nan 0.000 0.496 442 I N 2.873 123.447 120.570 0.008 0.000 2.151 442 I HA -0.332 3.837 4.170 -0.000 0.000 0.243 442 I C 2.633 178.829 176.117 0.133 0.000 1.080 442 I CA 2.309 63.686 61.300 0.128 0.000 1.339 442 I CB -0.457 37.679 38.000 0.227 0.000 1.039 442 I HN 0.233 nan 8.210 nan 0.000 0.409 443 E N 0.858 121.109 120.200 0.086 0.000 2.204 443 E HA -0.233 4.117 4.350 -0.000 0.000 0.195 443 E C 2.059 178.535 176.600 -0.207 0.000 0.990 443 E CA 1.438 57.807 56.400 -0.051 0.000 0.821 443 E CB -0.528 29.139 29.700 -0.055 0.000 0.750 443 E HN 0.430 nan 8.360 nan 0.000 0.477 444 F N 1.305 121.174 119.950 -0.135 0.000 2.206 444 F HA -0.064 4.463 4.527 -0.000 0.000 0.298 444 F C 2.399 178.013 175.800 -0.309 0.000 1.090 444 F CA 0.682 58.555 58.000 -0.212 0.000 1.323 444 F CB -0.265 38.649 39.000 -0.143 0.000 1.028 444 F HN -0.133 nan 8.300 nan 0.000 0.492 445 V N -0.980 118.814 119.914 -0.199 0.000 2.358 445 V HA -0.279 3.841 4.120 -0.000 0.000 0.246 445 V C 1.862 177.737 176.094 -0.365 0.000 1.047 445 V CA 1.614 63.639 62.300 -0.458 0.000 1.035 445 V CB -0.729 30.838 31.823 -0.426 0.000 0.658 445 V HN 0.199 nan 8.190 nan 0.000 0.452 446 F N 0.684 120.509 119.950 -0.209 0.000 2.811 446 F HA 0.342 4.869 4.527 -0.000 0.000 0.301 446 F C 1.848 177.573 175.800 -0.124 0.000 1.151 446 F CA 0.801 58.707 58.000 -0.157 0.000 1.412 446 F CB -0.400 38.478 39.000 -0.203 0.000 1.113 446 F HN 0.294 nan 8.300 nan 0.000 0.579 447 G N 0.277 109.005 108.800 -0.121 0.000 2.198 447 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.257 447 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.257 447 G C 0.930 175.525 174.900 -0.509 0.000 1.042 447 G CA 0.295 45.248 45.100 -0.245 0.000 0.791 447 G HN 0.305 nan 8.290 nan 0.000 0.502 448 L N 0.130 121.042 121.223 -0.519 0.000 2.083 448 L HA 0.069 4.409 4.340 -0.000 0.000 0.209 448 L C 0.441 176.886 176.870 -0.708 0.000 1.083 448 L CA 2.555 57.021 54.840 -0.624 0.000 0.752 448 L CB -0.917 40.942 42.059 -0.333 0.000 0.899 448 L HN 0.194 nan 8.230 nan 0.000 0.433 449 P HA -0.115 nan 4.420 nan 0.000 0.225 449 P C 1.829 178.834 177.300 -0.492 0.000 1.148 449 P CA 0.984 63.458 63.100 -1.044 0.000 0.779 449 P CB 0.031 31.020 31.700 -1.186 0.000 0.780 450 L N -0.917 120.046 121.223 -0.434 0.000 2.275 450 L HA -0.097 4.243 4.340 -0.000 0.000 0.215 450 L C 1.226 177.923 176.870 -0.289 0.000 1.119 450 L CA 0.708 55.346 54.840 -0.338 0.000 0.790 450 L CB -0.772 41.137 42.059 -0.249 0.000 0.919 450 L HN 0.016 nan 8.230 nan 0.000 0.443 451 E N 0.670 120.780 120.200 -0.149 0.000 2.070 451 E HA 0.032 4.382 4.350 -0.000 0.000 0.282 451 E C 0.995 177.609 176.600 0.023 0.000 1.104 451 E CA 0.016 56.455 56.400 0.065 0.000 0.876 451 E CB 0.572 30.287 29.700 0.025 0.000 1.055 451 E HN 0.069 nan 8.360 nan 0.000 0.401 452 R N 3.097 123.599 120.500 0.003 0.000 2.189 452 R HA -0.057 4.283 4.340 -0.000 0.000 0.223 452 R C 1.375 177.699 176.300 0.039 0.000 1.092 452 R CA 0.643 56.748 56.100 0.008 0.000 0.989 452 R CB 0.035 30.320 30.300 -0.024 0.000 0.876 452 R HN 0.369 nan 8.270 nan 0.000 0.457 453 R N 0.757 121.293 120.500 0.061 0.000 2.303 453 R HA -0.077 4.263 4.340 -0.000 0.000 0.225 453 R C -0.150 176.170 176.300 0.033 0.000 1.114 453 R CA 1.087 57.217 56.100 0.050 0.000 1.007 453 R CB -0.199 30.143 30.300 0.070 0.000 0.861 453 R HN 0.229 nan 8.270 nan 0.000 0.471 457 T N -2.000 112.671 114.554 0.194 0.000 2.726 457 T HA 0.173 4.523 4.350 -0.000 0.000 0.294 457 T C 1.025 175.770 174.700 0.076 0.000 1.013 457 T CA -0.201 61.964 62.100 0.109 0.000 0.996 457 T CB 1.010 69.942 68.868 0.108 0.000 1.016 457 T HN 0.707 nan 8.240 nan 0.000 0.529 458 K N 0.455 120.877 120.400 0.036 0.000 2.103 458 K HA 0.170 4.490 4.320 -0.000 0.000 0.204 458 K C 2.437 179.033 176.600 -0.006 0.000 1.052 458 K CA 1.385 57.675 56.287 0.004 0.000 0.945 458 K CB -1.065 31.433 32.500 -0.004 0.000 0.722 458 K HN 0.715 nan 8.250 nan 0.000 0.443 459 A N 0.935 123.757 122.820 0.004 0.000 1.933 459 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 459 A C 1.891 179.448 177.584 -0.045 0.000 1.175 459 A CA 1.870 53.892 52.037 -0.024 0.000 0.628 459 A CB -0.511 18.477 19.000 -0.020 0.000 0.814 459 A HN 0.497 nan 8.150 nan 0.000 0.444 460 E N -0.743 119.462 120.200 0.008 0.000 2.150 460 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 460 E C 2.032 178.636 176.600 0.007 0.000 0.985 460 E CA 0.990 57.438 56.400 0.078 0.000 0.814 460 E CB -0.118 29.739 29.700 0.262 0.000 0.752 460 E HN 0.843 nan 8.360 nan 0.000 0.466 461 E N 1.184 121.349 120.200 -0.059 0.000 2.051 461 E HA -0.198 4.152 4.350 -0.000 0.000 0.192 461 E C 2.088 178.629 176.600 -0.099 0.000 0.991 461 E CA 0.892 57.214 56.400 -0.130 0.000 0.799 461 E CB -0.015 29.616 29.700 -0.114 0.000 0.748 461 E HN 0.222 nan 8.360 nan 0.000 0.449 462 I N 0.806 121.337 120.570 -0.065 0.000 2.226 462 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 462 I C 2.589 178.680 176.117 -0.043 0.000 1.100 462 I CA 0.472 61.739 61.300 -0.055 0.000 1.374 462 I CB -0.248 37.725 38.000 -0.046 0.000 1.057 462 I HN 0.260 nan 8.210 nan 0.000 0.413 463 L N 0.265 121.466 121.223 -0.037 0.000 2.012 463 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 463 L C 2.618 179.510 176.870 0.037 0.000 1.073 463 L CA 2.091 56.913 54.840 -0.030 0.000 0.748 463 L CB -0.798 41.197 42.059 -0.106 0.000 0.891 463 L HN 0.149 nan 8.230 nan 0.000 0.431 464 S N -0.962 114.795 115.700 0.095 0.000 2.368 464 S HA -0.242 4.228 4.470 -0.000 0.000 0.225 464 S C 2.250 176.809 174.600 -0.068 0.000 1.030 464 S CA 1.345 59.564 58.200 0.032 0.000 0.999 464 S CB -0.361 62.740 63.200 -0.166 0.000 0.844 464 S HN 0.542 nan 8.310 nan 0.000 0.459 465 R N 1.142 121.599 120.500 -0.072 0.000 2.081 465 R HA 0.030 4.370 4.340 -0.000 0.000 0.235 465 R C 2.569 178.853 176.300 -0.026 0.000 1.131 465 R CA 2.113 58.176 56.100 -0.061 0.000 0.960 465 R CB -1.214 29.047 30.300 -0.065 0.000 0.856 465 R HN 0.389 nan 8.270 nan 0.000 0.436 466 S N -0.437 115.254 115.700 -0.014 0.000 2.368 466 S HA -0.059 4.411 4.470 -0.000 0.000 0.225 466 S C 1.896 176.520 174.600 0.041 0.000 1.030 466 S CA 1.445 59.658 58.200 0.021 0.000 0.999 466 S CB -0.259 62.950 63.200 0.016 0.000 0.844 466 S HN 0.398 nan 8.310 nan 0.000 0.459 467 I N 0.908 121.459 120.570 -0.031 0.000 2.226 467 I HA -0.129 4.041 4.170 -0.000 0.000 0.245 467 I C 2.284 178.323 176.117 -0.130 0.000 1.100 467 I CA 0.937 62.152 61.300 -0.142 0.000 1.374 467 I CB -0.475 37.292 38.000 -0.388 0.000 1.057 467 I HN 0.192 nan 8.210 nan 0.000 0.413 468 V N 1.185 121.019 119.914 -0.133 0.000 2.332 468 V HA -0.306 3.814 4.120 -0.000 0.000 0.248 468 V C 2.555 178.676 176.094 0.046 0.000 1.055 468 V CA 2.076 64.325 62.300 -0.085 0.000 1.038 468 V CB -0.632 31.144 31.823 -0.080 0.000 0.651 468 V HN 0.376 nan 8.190 nan 0.000 0.450 469 K N 0.626 121.065 120.400 0.066 0.000 2.025 469 K HA -0.137 4.183 4.320 -0.000 0.000 0.207 469 K C 2.213 178.916 176.600 0.171 0.000 1.049 469 K CA 1.576 57.925 56.287 0.102 0.000 0.933 469 K CB -0.383 32.170 32.500 0.088 0.000 0.714 469 K HN 0.342 nan 8.250 nan 0.000 0.438 470 R N -0.975 119.675 120.500 0.250 0.000 2.073 470 R HA -0.099 4.241 4.340 -0.000 0.000 0.234 470 R C 2.418 178.941 176.300 0.371 0.000 1.134 470 R CA 1.792 58.099 56.100 0.344 0.000 0.952 470 R CB -0.498 30.120 30.300 0.529 0.000 0.850 470 R HN 0.394 nan 8.270 nan 0.000 0.433 471 W N 0.391 121.696 121.300 0.009 0.000 2.358 471 W HA -0.160 4.500 4.660 -0.000 0.000 0.303 471 W C 2.361 178.849 176.519 -0.051 0.000 1.208 471 W CA 0.707 58.028 57.345 -0.040 0.000 1.274 471 W CB -0.094 29.295 29.460 -0.119 0.000 1.138 471 W HN 0.258 nan 8.180 nan 0.000 0.515 472 A N 0.586 123.504 122.820 0.162 0.000 1.873 472 A HA -0.216 4.103 4.320 -0.000 0.000 0.215 472 A C 1.721 179.265 177.584 -0.066 0.000 1.186 472 A CA 1.759 53.802 52.037 0.010 0.000 0.616 472 A CB -1.071 17.935 19.000 0.009 0.000 0.823 472 A HN 0.202 nan 8.150 nan 0.000 0.442 473 N N -0.972 117.740 118.700 0.020 0.000 2.166 473 N HA -0.135 4.605 4.740 -0.000 0.000 0.186 473 N C 1.358 176.835 175.510 -0.055 0.000 1.019 473 N CA 1.418 54.477 53.050 0.016 0.000 0.856 473 N CB -0.577 38.026 38.487 0.193 0.000 0.993 473 N HN 0.548 nan 8.380 nan 0.000 0.426 474 F N 1.455 121.299 119.950 -0.175 0.000 2.146 474 F HA -0.030 4.497 4.527 -0.000 0.000 0.298 474 F C 2.128 177.797 175.800 -0.218 0.000 1.096 474 F CA 1.246 59.097 58.000 -0.249 0.000 1.275 474 F CB -0.410 38.363 39.000 -0.379 0.000 1.008 474 F HN 0.022 nan 8.300 nan 0.000 0.480 475 A N 0.455 123.140 122.820 -0.225 0.000 1.877 475 A HA -0.191 4.129 4.320 -0.000 0.000 0.216 475 A C 2.242 179.594 177.584 -0.386 0.000 1.186 475 A CA 1.973 53.831 52.037 -0.299 0.000 0.620 475 A CB -0.645 18.249 19.000 -0.177 0.000 0.822 475 A HN 0.472 nan 8.150 nan 0.000 0.443 476 K N -1.864 118.232 120.400 -0.506 0.000 2.062 476 K HA -0.047 4.273 4.320 -0.000 0.000 0.205 476 K C 0.961 177.137 176.600 -0.708 0.000 1.051 476 K CA 1.640 57.477 56.287 -0.750 0.000 0.941 476 K CB -0.170 31.546 32.500 -1.308 0.000 0.719 476 K HN 0.739 nan 8.250 nan 0.000 0.440 477 Y N -1.302 118.913 120.300 -0.141 0.000 2.527 477 Y HA 0.294 4.844 4.550 -0.000 0.000 0.247 477 Y C 1.013 176.803 175.900 -0.183 0.000 1.138 477 Y CA -0.291 57.733 58.100 -0.126 0.000 1.228 477 Y CB 1.252 39.673 38.460 -0.066 0.000 1.252 477 Y HN 0.134 nan 8.280 nan 0.000 0.531 478 G N 1.618 110.236 108.800 -0.303 0.000 2.179 478 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.257 478 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.257 478 G C -0.339 174.512 174.900 -0.083 0.000 1.010 478 G CA 0.377 45.221 45.100 -0.427 0.000 0.736 478 G HN 0.363 nan 8.290 nan 0.000 0.513 479 N N -0.163 118.505 118.700 -0.053 0.000 2.558 479 N HA 0.392 5.132 4.740 -0.000 0.000 0.285 479 N C -2.436 172.961 175.510 -0.188 0.000 1.112 479 N CA -1.711 51.254 53.050 -0.142 0.000 0.857 479 N CB 2.265 40.765 38.487 0.021 0.000 1.376 479 N HN -0.014 nan 8.380 nan 0.000 0.526 480 P HA 0.026 nan 4.420 nan 0.000 0.261 480 P C -0.542 176.775 177.300 0.029 0.000 1.650 480 P CA 0.074 62.986 63.100 -0.314 0.000 0.846 480 P CB 0.082 31.238 31.700 -0.907 0.000 1.758 481 Q N 0.575 120.415 119.800 0.066 0.000 2.221 481 Q HA 0.307 4.647 4.340 -0.000 0.000 0.242 481 Q C 0.205 176.305 176.000 0.165 0.000 0.940 481 Q CA -0.197 55.701 55.803 0.158 0.000 0.896 481 Q CB 1.347 30.159 28.738 0.123 0.000 1.226 481 Q HN 0.129 nan 8.270 nan 0.000 0.463 482 E N 1.546 121.841 120.200 0.159 0.000 2.255 482 E HA 0.133 4.483 4.350 -0.000 0.000 0.245 482 E C -0.058 176.602 176.600 0.100 0.000 0.909 482 E CA -0.247 56.229 56.400 0.127 0.000 0.747 482 E CB 0.674 30.446 29.700 0.120 0.000 1.215 482 E HN 0.686 nan 8.360 nan 0.000 0.424 483 T N 0.732 115.338 114.554 0.086 0.000 3.129 483 T HA 0.051 4.401 4.350 -0.000 0.000 0.251 483 T C 1.041 175.771 174.700 0.050 0.000 1.117 483 T CA 0.548 62.687 62.100 0.066 0.000 1.034 483 T CB 0.219 69.118 68.868 0.052 0.000 0.968 483 T HN 0.329 nan 8.240 nan 0.000 0.526 484 Q N 0.718 120.547 119.800 0.049 0.000 2.390 484 Q HA 0.227 4.567 4.340 -0.000 0.000 0.216 484 Q C 0.493 176.511 176.000 0.031 0.000 0.916 484 Q CA 0.229 56.054 55.803 0.036 0.000 0.911 484 Q CB 0.251 29.009 28.738 0.034 0.000 1.035 484 Q HN 0.350 nan 8.270 nan 0.000 0.541 485 N N 1.589 120.309 118.700 0.034 0.000 2.758 485 N HA 0.080 4.820 4.740 -0.000 0.000 0.293 485 N C -0.473 175.053 175.510 0.027 0.000 1.273 485 N CA 0.521 53.586 53.050 0.026 0.000 1.022 485 N CB 0.219 38.718 38.487 0.020 0.000 1.334 485 N HN 0.266 nan 8.380 nan 0.000 0.519 486 Q N -1.178 118.641 119.800 0.031 0.000 2.431 486 Q HA -0.227 4.113 4.340 -0.000 0.000 0.344 486 Q C -0.061 175.960 176.000 0.035 0.000 1.384 486 Q CA 1.065 56.887 55.803 0.032 0.000 0.984 486 Q CB -2.844 25.908 28.738 0.023 0.000 1.204 486 Q HN 0.424 nan 8.270 nan 0.000 0.392 487 S N 0.442 116.170 115.700 0.047 0.000 2.672 487 S HA 0.665 5.135 4.470 -0.000 0.000 0.276 487 S C 0.658 175.296 174.600 0.063 0.000 1.207 487 S CA -0.058 58.173 58.200 0.052 0.000 1.002 487 S CB 1.635 64.876 63.200 0.067 0.000 0.998 487 S HN 0.763 nan 8.310 nan 0.000 0.542 488 T N 2.362 116.950 114.554 0.056 0.000 2.928 488 T HA 0.110 4.460 4.350 -0.000 0.000 0.305 488 T C 0.462 175.230 174.700 0.113 0.000 1.035 488 T CA 0.124 62.262 62.100 0.063 0.000 1.145 488 T CB 0.584 69.471 68.868 0.032 0.000 0.963 488 T HN 0.511 nan 8.240 nan 0.000 0.545 489 S N 2.464 118.245 115.700 0.134 0.000 2.545 489 S HA 0.201 4.671 4.470 -0.000 0.000 0.275 489 S C -0.623 174.158 174.600 0.302 0.000 1.299 489 S CA -0.784 57.538 58.200 0.203 0.000 1.048 489 S CB 0.140 63.444 63.200 0.173 0.000 0.938 489 S HN 0.641 nan 8.310 nan 0.000 0.496 490 W N 8.080 129.482 121.300 0.169 0.000 2.387 490 W HA 0.395 5.055 4.660 -0.000 0.000 0.310 490 W C -2.514 174.220 176.519 0.359 0.000 1.181 490 W CA -2.919 54.576 57.345 0.250 0.000 1.333 490 W CB 0.494 30.090 29.460 0.225 0.000 1.286 490 W HN 0.517 nan 8.180 nan 0.000 0.455 491 P HA 0.083 nan 4.420 nan 0.000 0.277 491 P C -0.421 177.166 177.300 0.478 0.000 1.240 491 P CA -0.137 63.254 63.100 0.486 0.000 0.798 491 P CB 1.852 33.738 31.700 0.309 0.000 0.979 492 V N 2.957 122.982 119.914 0.185 0.000 2.811 492 V HA 0.000 4.120 4.120 -0.000 0.000 0.302 492 V C 0.539 176.668 176.094 0.059 0.000 1.063 492 V CA 0.126 62.324 62.300 -0.170 0.000 1.088 492 V CB -0.352 31.361 31.823 -0.184 0.000 0.982 492 V HN 0.454 nan 8.190 nan 0.000 0.485 493 F N 5.636 125.531 119.950 -0.091 0.000 2.411 493 F HA 0.525 5.052 4.527 -0.000 0.000 0.355 493 F C 0.197 176.008 175.800 0.018 0.000 1.117 493 F CA -0.425 57.611 58.000 0.060 0.000 1.139 493 F CB 0.413 39.507 39.000 0.156 0.000 1.120 493 F HN 0.395 nan 8.300 nan 0.000 0.493 494 K N 3.665 123.937 120.400 -0.213 0.000 2.375 494 K HA 0.322 4.642 4.320 -0.000 0.000 0.249 494 K C 0.839 177.281 176.600 -0.263 0.000 0.942 494 K CA -0.814 55.413 56.287 -0.099 0.000 0.806 494 K CB 2.001 34.456 32.500 -0.075 0.000 1.227 494 K HN 0.556 nan 8.250 nan 0.000 0.430 495 S N 0.428 116.100 115.700 -0.047 0.000 2.402 495 S HA -0.175 4.295 4.470 -0.000 0.000 0.233 495 S C 1.416 175.957 174.600 -0.100 0.000 1.030 495 S CA 1.976 60.158 58.200 -0.029 0.000 1.003 495 S CB -0.162 63.053 63.200 0.025 0.000 0.813 495 S HN 0.676 nan 8.310 nan 0.000 0.477 496 T N 1.739 116.228 114.554 -0.108 0.000 2.684 496 T HA 0.001 4.351 4.350 -0.000 0.000 0.253 496 T C 1.754 176.379 174.700 -0.126 0.000 1.057 496 T CA 0.949 62.994 62.100 -0.092 0.000 1.162 496 T CB -0.376 68.452 68.868 -0.068 0.000 0.868 496 T HN 0.409 nan 8.240 nan 0.000 0.409 497 E N 0.981 121.092 120.200 -0.149 0.000 2.107 497 E HA -0.030 4.320 4.350 -0.000 0.000 0.191 497 E C 0.286 176.746 176.600 -0.234 0.000 0.982 497 E CA 0.285 56.596 56.400 -0.147 0.000 0.809 497 E CB -0.100 29.537 29.700 -0.106 0.000 0.756 497 E HN 0.439 nan 8.360 nan 0.000 0.459 498 Q N 0.414 119.923 119.800 -0.485 0.000 2.451 498 Q HA -0.208 4.132 4.340 -0.000 0.000 0.305 498 Q C -0.982 174.801 176.000 -0.362 0.000 1.345 498 Q CA 0.447 55.727 55.803 -0.873 0.000 0.854 498 Q CB -1.418 27.015 28.738 -0.508 0.000 1.162 498 Q HN 0.201 nan 8.270 nan 0.000 0.440 499 K N 0.910 121.195 120.400 -0.191 0.000 2.237 499 K HA 0.425 4.745 4.320 -0.000 0.000 0.270 499 K C -0.180 176.659 176.600 0.399 0.000 1.015 499 K CA -0.069 56.264 56.287 0.076 0.000 0.949 499 K CB 0.483 33.022 32.500 0.066 0.000 0.976 499 K HN 0.243 nan 8.250 nan 0.000 0.472 500 Y N -0.752 119.720 120.300 0.285 0.000 2.615 500 Y HA 0.619 5.169 4.550 -0.000 0.000 0.341 500 Y C -1.539 174.515 175.900 0.256 0.000 1.089 500 Y CA -1.724 56.649 58.100 0.455 0.000 1.049 500 Y CB 0.795 39.556 38.460 0.502 0.000 1.296 500 Y HN 0.330 nan 8.280 nan 0.000 0.470 501 L N 2.746 124.114 121.223 0.242 0.000 2.307 501 L HA 0.692 5.032 4.340 -0.000 0.000 0.284 501 L C -0.154 176.774 176.870 0.097 0.000 1.023 501 L CA -0.225 54.522 54.840 -0.155 0.000 0.810 501 L CB 1.745 43.264 42.059 -0.899 0.000 1.231 501 L HN 0.953 nan 8.230 nan 0.000 0.423 502 T N 3.298 117.896 114.554 0.073 0.000 2.845 502 T HA 0.615 4.965 4.350 -0.000 0.000 0.288 502 T C -0.234 174.491 174.700 0.041 0.000 0.980 502 T CA -0.635 61.588 62.100 0.205 0.000 1.071 502 T CB 0.647 69.643 68.868 0.213 0.000 0.941 502 T HN 0.513 nan 8.240 nan 0.000 0.487 503 L N 4.125 125.369 121.223 0.035 0.000 2.305 503 L HA 0.616 4.956 4.340 -0.000 0.000 0.284 503 L C -0.194 176.518 176.870 -0.263 0.000 1.013 503 L CA -0.747 54.039 54.840 -0.090 0.000 0.819 503 L CB 0.945 43.005 42.059 0.003 0.000 1.227 503 L HN 0.997 nan 8.230 nan 0.000 0.417 504 N N -0.808 117.757 118.700 -0.225 0.000 3.179 504 N HA 0.268 5.008 4.740 -0.000 0.000 0.250 504 N C 0.236 175.625 175.510 -0.202 0.000 1.507 504 N CA -0.266 52.635 53.050 -0.248 0.000 0.883 504 N CB 0.807 39.209 38.487 -0.142 0.000 1.435 504 N HN 0.294 nan 8.380 nan 0.000 0.532 505 T N -3.086 111.359 114.554 -0.183 0.000 2.937 505 T HA 0.089 4.439 4.350 -0.000 0.000 0.260 505 T C 0.910 175.569 174.700 -0.069 0.000 1.051 505 T CA 1.026 63.036 62.100 -0.150 0.000 1.141 505 T CB -0.492 68.284 68.868 -0.152 0.000 0.879 505 T HN 0.543 nan 8.240 nan 0.000 0.459 506 E N 2.203 122.380 120.200 -0.038 0.000 1.995 506 E HA -0.022 4.328 4.350 -0.000 0.000 0.207 506 E C 0.655 177.241 176.600 -0.023 0.000 1.016 506 E CA 1.350 57.739 56.400 -0.018 0.000 0.865 506 E CB -0.082 29.616 29.700 -0.005 0.000 0.797 506 E HN 0.658 nan 8.360 nan 0.000 0.491 507 S N -0.052 115.634 115.700 -0.023 0.000 2.566 507 S HA 0.241 4.711 4.470 -0.000 0.000 0.273 507 S C -0.442 174.144 174.600 -0.024 0.000 1.157 507 S CA -0.898 57.290 58.200 -0.020 0.000 0.938 507 S CB 1.611 64.806 63.200 -0.009 0.000 1.087 507 S HN 0.249 nan 8.310 nan 0.000 0.474 508 T N 1.778 116.314 114.554 -0.030 0.000 2.884 508 T HA 0.611 4.961 4.350 -0.000 0.000 0.298 508 T C -0.093 174.588 174.700 -0.033 0.000 0.998 508 T CA -0.397 61.680 62.100 -0.038 0.000 1.124 508 T CB 0.094 68.933 68.868 -0.048 0.000 0.931 508 T HN 0.811 nan 8.240 nan 0.000 0.531 509 R N 2.399 122.875 120.500 -0.041 0.000 2.867 509 R HA 0.608 4.948 4.340 -0.000 0.000 0.268 509 R C -0.756 175.483 176.300 -0.103 0.000 1.014 509 R CA -1.156 54.912 56.100 -0.053 0.000 0.946 509 R CB 1.471 31.747 30.300 -0.040 0.000 1.208 509 R HN 0.502 nan 8.270 nan 0.000 0.477 510 I N 2.802 123.309 120.570 -0.105 0.000 2.312 510 I HA 0.336 4.506 4.170 -0.000 0.000 0.290 510 I C -0.184 175.794 176.117 -0.231 0.000 1.008 510 I CA -0.255 60.959 61.300 -0.143 0.000 1.226 510 I CB 0.995 38.967 38.000 -0.047 0.000 1.371 510 I HN 0.490 nan 8.210 nan 0.000 0.468 511 M N 4.904 124.202 119.600 -0.504 0.000 2.796 511 M HA 0.565 5.045 4.480 -0.000 0.000 0.303 511 M C 0.142 176.138 176.300 -0.507 0.000 1.240 511 M CA -0.576 54.389 55.300 -0.558 0.000 0.831 511 M CB 2.259 34.406 32.600 -0.756 0.000 1.750 511 M HN 0.599 nan 8.290 nan 0.000 0.484 512 T N -2.315 112.158 114.554 -0.136 0.000 2.903 512 T HA 0.558 4.908 4.350 -0.000 0.000 0.299 512 T C -0.653 174.178 174.700 0.219 0.000 1.093 512 T CA -0.947 61.198 62.100 0.075 0.000 1.002 512 T CB 1.773 70.638 68.868 -0.005 0.000 1.127 512 T HN 0.652 nan 8.240 nan 0.000 0.488 513 K N 0.704 121.206 120.400 0.171 0.000 3.419 513 K HA -0.166 4.153 4.320 -0.000 0.000 0.272 513 K C -0.222 176.412 176.600 0.057 0.000 0.973 513 K CA -0.154 56.180 56.287 0.079 0.000 0.749 513 K CB -1.529 30.993 32.500 0.037 0.000 1.403 513 K HN 0.625 nan 8.250 nan 0.000 0.456 514 L N 1.803 122.986 121.223 -0.068 0.000 2.559 514 L HA -0.034 4.306 4.340 -0.000 0.000 0.274 514 L C 0.781 177.559 176.870 -0.153 0.000 1.205 514 L CA 0.749 55.402 54.840 -0.313 0.000 0.907 514 L CB 0.118 41.629 42.059 -0.912 0.000 1.153 514 L HN 0.397 nan 8.230 nan 0.000 0.490 515 R N 2.875 123.332 120.500 -0.071 0.000 3.516 515 R HA -0.283 4.057 4.340 -0.000 0.000 0.271 515 R C 1.253 177.596 176.300 0.073 0.000 1.098 515 R CA 0.769 56.892 56.100 0.037 0.000 0.732 515 R CB -2.481 27.871 30.300 0.088 0.000 1.152 515 R HN 0.907 nan 8.270 nan 0.000 0.455 516 A N 0.846 123.695 122.820 0.048 0.000 1.884 516 A HA -0.287 4.033 4.320 -0.000 0.000 0.219 516 A C 2.170 179.809 177.584 0.091 0.000 1.197 516 A CA 1.861 53.934 52.037 0.061 0.000 0.637 516 A CB -0.264 18.762 19.000 0.043 0.000 0.827 516 A HN 0.606 nan 8.150 nan 0.000 0.450 517 Q N -1.354 118.499 119.800 0.088 0.000 2.079 517 Q HA -0.222 4.118 4.340 -0.000 0.000 0.200 517 Q C 2.323 178.451 176.000 0.214 0.000 0.974 517 Q CA 1.677 57.551 55.803 0.120 0.000 0.840 517 Q CB -0.199 28.567 28.738 0.046 0.000 0.898 517 Q HN 0.789 nan 8.270 nan 0.000 0.430 518 Q N -0.209 119.729 119.800 0.231 0.000 2.119 518 Q HA -0.107 4.233 4.340 -0.000 0.000 0.201 518 Q C 2.083 178.310 176.000 0.378 0.000 0.972 518 Q CA 1.336 57.329 55.803 0.316 0.000 0.847 518 Q CB -0.245 28.731 28.738 0.397 0.000 0.903 518 Q HN 0.329 nan 8.270 nan 0.000 0.433 519 c N -0.159 118.633 118.600 0.320 0.000 2.464 519 c HA 0.042 4.612 4.570 -0.000 0.000 0.278 519 c C 2.428 176.660 174.090 0.238 0.000 1.375 519 c CA 0.082 56.607 56.329 0.326 0.000 1.761 519 c CB -0.621 42.018 42.510 0.214 0.000 1.944 519 c HN 0.452 nan 8.230 nan 0.000 0.509 520 R N -0.130 120.475 120.500 0.176 0.000 2.120 520 R HA -0.138 4.201 4.340 -0.000 0.000 0.234 520 R C 1.971 178.345 176.300 0.124 0.000 1.123 520 R CA 1.569 57.751 56.100 0.136 0.000 0.975 520 R CB -0.376 29.997 30.300 0.123 0.000 0.866 520 R HN 0.616 nan 8.270 nan 0.000 0.446 521 F N -0.677 119.206 119.950 -0.111 0.000 2.098 521 F HA -0.155 4.372 4.527 -0.000 0.000 0.294 521 F C 1.382 177.081 175.800 -0.167 0.000 1.107 521 F CA 1.372 59.188 58.000 -0.308 0.000 1.234 521 F CB -0.393 37.966 39.000 -1.069 0.000 1.002 521 F HN -0.007 nan 8.300 nan 0.000 0.472 522 W N 0.247 121.540 121.300 -0.011 0.000 2.436 522 W HA -0.079 4.581 4.660 -0.000 0.000 0.284 522 W C 2.424 178.959 176.519 0.027 0.000 1.225 522 W CA 1.430 58.758 57.345 -0.029 0.000 1.271 522 W CB -0.720 28.848 29.460 0.179 0.000 1.114 522 W HN -0.132 nan 8.180 nan 0.000 0.559 523 T N -1.403 113.300 114.554 0.249 0.000 3.009 523 T HA -0.037 4.313 4.350 -0.000 0.000 0.258 523 T C 1.710 176.472 174.700 0.105 0.000 1.063 523 T CA 1.451 63.653 62.100 0.169 0.000 1.139 523 T CB -0.097 68.861 68.868 0.149 0.000 0.890 523 T HN -0.050 nan 8.240 nan 0.000 0.471 524 S N 0.369 116.120 115.700 0.085 0.000 2.527 524 S HA 0.291 4.761 4.470 -0.000 0.000 0.225 524 S C 1.457 176.105 174.600 0.080 0.000 1.046 524 S CA -0.207 58.042 58.200 0.080 0.000 0.929 524 S CB -0.289 62.969 63.200 0.097 0.000 0.851 524 S HN 0.481 nan 8.310 nan 0.000 0.565 525 F N 1.600 121.481 119.950 -0.114 0.000 2.049 525 F HA 0.017 4.544 4.527 -0.000 0.000 0.288 525 F C 2.033 177.720 175.800 -0.188 0.000 1.141 525 F CA 1.123 59.032 58.000 -0.152 0.000 1.165 525 F CB -0.449 38.438 39.000 -0.188 0.000 1.012 525 F HN 0.162 nan 8.300 nan 0.000 0.475 526 F N 2.088 121.393 119.950 -1.076 0.000 2.111 526 F HA -0.183 4.344 4.527 -0.000 0.000 0.300 526 F C -1.037 174.474 175.800 -0.482 0.000 1.088 526 F CA 1.819 59.212 58.000 -1.013 0.000 1.243 526 F CB -1.893 36.627 39.000 -0.800 0.000 0.996 526 F HN -0.007 nan 8.300 nan 0.000 0.483 527 P HA -0.153 nan 4.420 nan 0.000 0.229 527 P C 0.866 178.019 177.300 -0.244 0.000 1.150 527 P CA 1.636 64.642 63.100 -0.157 0.000 0.765 527 P CB -0.078 31.614 31.700 -0.013 0.000 0.783 528 K N -0.728 119.467 120.400 -0.340 0.000 2.128 528 K HA 0.035 4.355 4.320 -0.000 0.000 0.202 528 K C 1.181 177.610 176.600 -0.285 0.000 1.050 528 K CA 0.361 56.500 56.287 -0.247 0.000 0.966 528 K CB -0.656 31.746 32.500 -0.164 0.000 0.759 528 K HN 0.061 nan 8.250 nan 0.000 0.454 529 V N 0.000 119.634 119.914 -0.467 0.000 2.409 529 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 529 V CA 0.000 62.097 62.300 -0.339 0.000 1.235 529 V CB 0.000 31.540 31.823 -0.472 0.000 1.184 529 V HN 0.000 nan 8.190 nan 0.000 0.556