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 1nfg_1_B DATA FIRST_RESID 1 DATA SEQUENCE MDIIIKNGTI VTADGISRAD LGIKDGKITQ IGGALGPAER TIDAAGRYVF DATA SEQUENCE PGGIDVHTHV ETVSFNTQSA DTFATATVAA ACGGTTTIVD FCQQDRGHSL DATA SEQUENCE AEAVAKWDGM AGGKSAIDYG YHIIVLDPTD SVIEELEVLP DLGITSFXVF DATA SEQUENCE MAYRGMNMID DVTLLKTLDK AVKTGSLVMV HAENGDAADY LRDKFVAEGK DATA SEQUENCE TAPIYHALSR PPRVEAEATA RALALAEIVN APIYIVHVTC EESLEEVMRA DATA SEQUENCE KSRGVRALAE TCTHYLYLTK EDLERPDFEG AKYVFTPPAR AKKDHDVLWN DATA SEQUENCE ALRNGVFETV SSDHCSWLFK GHKDRGRNDF RAIPNGAPGV EERLMMVYQG DATA SEQUENCE VNEGRISLTQ FVELVATRPA KVFGMFPQKG TIAVGSDADI VLWDPEAEMV DATA SEQUENCE IEQTAMHNAM DYSSYEGHKV KGVPKTVLLR GKVIVDEGSY VGEPTDGKFL DATA SEQUENCE KRRKYKQ 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.296 176.300 -0.006 0.000 1.140 1 M CA 0.000 55.297 55.300 -0.005 0.000 0.988 1 M CB 0.000 32.597 32.600 -0.005 0.000 1.302 2 D N 3.047 123.443 120.400 -0.006 0.000 2.117 2 D HA 0.157 4.797 4.640 -0.000 0.000 0.198 2 D C 0.342 176.638 176.300 -0.007 0.000 0.982 2 D CA 1.519 55.515 54.000 -0.007 0.000 0.828 2 D CB 0.423 41.219 40.800 -0.007 0.000 0.967 2 D HN 0.522 nan 8.370 nan 0.000 0.464 3 I N -0.018 120.549 120.570 -0.005 0.000 2.802 3 I HA 0.324 4.494 4.170 -0.000 0.000 0.298 3 I C -1.054 175.061 176.117 -0.003 0.000 1.176 3 I CA -0.695 60.602 61.300 -0.005 0.000 1.025 3 I CB 3.116 41.114 38.000 -0.004 0.000 1.243 3 I HN -0.297 nan 8.210 nan 0.000 0.424 4 I N 5.690 126.258 120.570 -0.003 0.000 2.499 4 I HA 0.443 4.613 4.170 -0.000 0.000 0.288 4 I C -0.866 175.251 176.117 -0.001 0.000 1.048 4 I CA -0.469 60.830 61.300 -0.001 0.000 1.062 4 I CB 2.372 40.370 38.000 -0.003 0.000 1.238 4 I HN 0.299 nan 8.210 nan 0.000 0.426 5 I N 7.137 127.708 120.570 0.002 0.000 2.354 5 I HA 0.312 4.482 4.170 -0.000 0.000 0.286 5 I C -0.209 175.909 176.117 0.001 0.000 1.007 5 I CA -0.532 60.769 61.300 0.002 0.000 1.167 5 I CB 1.132 39.138 38.000 0.009 0.000 1.320 5 I HN 0.546 nan 8.210 nan 0.000 0.458 6 K N 4.859 125.257 120.400 -0.003 0.000 2.281 6 K HA 0.569 4.889 4.320 -0.000 0.000 0.242 6 K C 0.038 176.633 176.600 -0.008 0.000 0.971 6 K CA -0.721 55.564 56.287 -0.004 0.000 0.834 6 K CB 1.237 33.734 32.500 -0.005 0.000 1.181 6 K HN 0.441 nan 8.250 nan 0.000 0.435 7 N N -1.321 117.374 118.700 -0.008 0.000 2.800 7 N HA -0.147 4.593 4.740 -0.000 0.000 0.250 7 N C -0.229 175.269 175.510 -0.019 0.000 1.078 7 N CA 1.436 54.478 53.050 -0.013 0.000 0.804 7 N CB -1.592 36.884 38.487 -0.018 0.000 1.135 7 N HN 0.902 nan 8.380 nan 0.000 0.565 8 G N -1.123 107.670 108.800 -0.012 0.000 2.509 8 G HA2 0.624 4.584 3.960 -0.000 0.000 0.328 8 G HA3 0.624 4.584 3.960 -0.000 0.000 0.328 8 G C -0.540 174.364 174.900 0.006 0.000 1.194 8 G CA -0.173 44.918 45.100 -0.016 0.000 0.967 8 G HN 0.019 nan 8.290 nan 0.000 0.488 9 T N 1.471 116.039 114.554 0.023 0.000 2.801 9 T HA 0.328 4.678 4.350 -0.000 0.000 0.306 9 T C 0.446 175.198 174.700 0.087 0.000 1.020 9 T CA -0.056 62.092 62.100 0.080 0.000 0.948 9 T CB 0.466 69.429 68.868 0.158 0.000 0.962 9 T HN 0.298 nan 8.240 nan 0.000 0.465 10 I N 3.690 124.297 120.570 0.062 0.000 2.505 10 I HA 0.137 4.307 4.170 -0.000 0.000 0.287 10 I C -0.085 176.078 176.117 0.077 0.000 1.104 10 I CA -0.203 61.133 61.300 0.060 0.000 1.387 10 I CB 0.455 38.489 38.000 0.057 0.000 1.404 10 I HN 0.250 nan 8.210 nan 0.000 0.528 11 V N 6.168 126.135 119.914 0.089 0.000 2.304 11 V HA 0.272 4.392 4.120 -0.000 0.000 0.278 11 V C 0.487 176.729 176.094 0.245 0.000 1.018 11 V CA -0.512 61.878 62.300 0.151 0.000 0.814 11 V CB 1.164 33.068 31.823 0.134 0.000 1.021 11 V HN 0.876 nan 8.190 nan 0.000 0.440 12 T N 1.773 116.419 114.554 0.153 0.000 2.922 12 T HA 0.675 5.025 4.350 -0.000 0.000 0.281 12 T C 1.385 176.142 174.700 0.094 0.000 1.005 12 T CA 0.046 62.223 62.100 0.129 0.000 0.982 12 T CB 1.921 70.850 68.868 0.102 0.000 1.158 12 T HN 0.516 nan 8.240 nan 0.000 0.566 13 A N -0.154 122.705 122.820 0.065 0.000 2.015 13 A HA 0.072 4.392 4.320 -0.000 0.000 0.219 13 A C 1.116 178.722 177.584 0.037 0.000 1.163 13 A CA 1.105 53.163 52.037 0.034 0.000 0.646 13 A CB -0.505 18.502 19.000 0.012 0.000 0.806 13 A HN 0.828 nan 8.150 nan 0.000 0.448 14 D N -0.818 119.611 120.400 0.049 0.000 2.957 14 D HA 0.441 5.081 4.640 -0.000 0.000 0.352 14 D C -0.042 176.286 176.300 0.046 0.000 1.352 14 D CA 0.627 54.651 54.000 0.041 0.000 0.831 14 D CB 0.420 41.242 40.800 0.036 0.000 1.147 14 D HN 0.382 nan 8.370 nan 0.000 0.467 15 G N 0.202 109.033 108.800 0.052 0.000 2.473 15 G HA2 0.455 4.414 3.960 -0.000 0.000 0.298 15 G HA3 0.455 4.414 3.960 -0.000 0.000 0.298 15 G C -1.464 173.472 174.900 0.060 0.000 1.575 15 G CA -0.636 44.495 45.100 0.052 0.000 0.846 15 G HN 0.082 nan 8.290 nan 0.000 0.585 16 I N 2.017 122.620 120.570 0.055 0.000 2.531 16 I HA 0.472 4.642 4.170 -0.000 0.000 0.283 16 I C -0.301 175.852 176.117 0.059 0.000 1.083 16 I CA -0.743 60.595 61.300 0.063 0.000 1.071 16 I CB 2.049 40.086 38.000 0.062 0.000 1.210 16 I HN 0.637 nan 8.210 nan 0.000 0.450 17 S N 4.903 120.639 115.700 0.060 0.000 2.546 17 S HA 0.561 5.031 4.470 -0.000 0.000 0.272 17 S C -0.739 173.890 174.600 0.048 0.000 1.140 17 S CA -1.105 57.124 58.200 0.049 0.000 0.920 17 S CB 2.268 65.492 63.200 0.039 0.000 1.083 17 S HN 0.515 nan 8.310 nan 0.000 0.476 18 R N 1.536 122.060 120.500 0.040 0.000 2.248 18 R HA 0.685 5.025 4.340 -0.000 0.000 0.337 18 R C -0.111 176.203 176.300 0.023 0.000 1.085 18 R CA 0.010 56.129 56.100 0.031 0.000 0.934 18 R CB 0.753 31.068 30.300 0.025 0.000 1.034 18 R HN 0.877 nan 8.270 nan 0.000 0.465 19 A N 2.928 125.761 122.820 0.022 0.000 2.599 19 A HA 0.429 4.749 4.320 -0.000 0.000 0.290 19 A C -1.542 176.050 177.584 0.014 0.000 1.101 19 A CA -0.981 51.066 52.037 0.017 0.000 0.674 19 A CB 1.608 20.620 19.000 0.019 0.000 1.277 19 A HN 0.480 nan 8.150 nan 0.000 0.419 20 D N 0.302 120.708 120.400 0.010 0.000 2.217 20 D HA 0.616 5.256 4.640 -0.000 0.000 0.248 20 D C -0.679 175.626 176.300 0.009 0.000 1.008 20 D CA 0.014 54.018 54.000 0.008 0.000 0.914 20 D CB 1.681 42.484 40.800 0.004 0.000 1.182 20 D HN 0.416 nan 8.370 nan 0.000 0.451 21 L N 0.251 121.480 121.223 0.009 0.000 2.334 21 L HA 0.629 4.969 4.340 -0.000 0.000 0.273 21 L C 0.599 177.472 176.870 0.005 0.000 1.013 21 L CA -0.781 54.065 54.840 0.010 0.000 0.816 21 L CB 2.036 44.104 42.059 0.014 0.000 1.278 21 L HN 0.376 nan 8.230 nan 0.000 0.431 22 G N 3.380 112.182 108.800 0.004 0.000 2.605 22 G HA2 0.632 4.592 3.960 -0.000 0.000 0.304 22 G HA3 0.632 4.592 3.960 -0.000 0.000 0.304 22 G C -0.892 174.008 174.900 -0.001 0.000 1.333 22 G CA -0.296 44.804 45.100 0.000 0.000 0.973 22 G HN 0.384 nan 8.290 nan 0.000 0.507 23 I N 1.699 122.269 120.570 -0.001 0.000 2.359 23 I HA 0.464 4.634 4.170 -0.000 0.000 0.294 23 I C -0.155 175.959 176.117 -0.005 0.000 0.987 23 I CA -0.851 60.447 61.300 -0.003 0.000 1.225 23 I CB 2.201 40.201 38.000 -0.001 0.000 1.366 23 I HN 0.270 nan 8.210 nan 0.000 0.466 24 K N 5.601 125.997 120.400 -0.008 0.000 2.637 24 K HA 0.293 4.613 4.320 -0.000 0.000 0.248 24 K C -1.189 175.404 176.600 -0.011 0.000 0.971 24 K CA -0.324 55.958 56.287 -0.009 0.000 0.858 24 K CB 0.709 33.204 32.500 -0.009 0.000 1.170 24 K HN 0.501 nan 8.250 nan 0.000 0.443 25 D N 3.982 124.376 120.400 -0.010 0.000 2.737 25 D HA -0.146 4.494 4.640 -0.000 0.000 0.243 25 D C 0.636 176.928 176.300 -0.014 0.000 1.109 25 D CA 1.842 55.835 54.000 -0.011 0.000 0.702 25 D CB -1.250 39.543 40.800 -0.012 0.000 1.068 25 D HN 1.079 nan 8.370 nan 0.000 0.432 26 G N -0.596 108.197 108.800 -0.012 0.000 2.189 26 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.267 26 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.267 26 G C 0.364 175.254 174.900 -0.016 0.000 0.975 26 G CA 1.159 46.251 45.100 -0.013 0.000 0.644 26 G HN 0.546 nan 8.290 nan 0.000 0.537 27 K N -0.667 119.723 120.400 -0.016 0.000 2.395 27 K HA 0.676 4.996 4.320 -0.000 0.000 0.247 27 K C -0.135 176.456 176.600 -0.014 0.000 0.973 27 K CA -1.142 55.133 56.287 -0.020 0.000 0.828 27 K CB 1.943 34.427 32.500 -0.026 0.000 1.272 27 K HN 0.086 nan 8.250 nan 0.000 0.439 28 I N 2.436 122.997 120.570 -0.015 0.000 2.322 28 I HA -0.007 4.163 4.170 -0.000 0.000 0.292 28 I C 1.329 177.438 176.117 -0.013 0.000 1.060 28 I CA 0.112 61.406 61.300 -0.010 0.000 1.309 28 I CB 0.978 38.975 38.000 -0.006 0.000 1.415 28 I HN 0.842 nan 8.210 nan 0.000 0.492 29 T N 1.704 116.252 114.554 -0.010 0.000 3.023 29 T HA 0.091 4.441 4.350 -0.000 0.000 0.249 29 T C 0.501 175.196 174.700 -0.008 0.000 1.050 29 T CA 0.058 62.152 62.100 -0.011 0.000 1.088 29 T CB 0.432 69.294 68.868 -0.010 0.000 0.946 29 T HN 0.593 nan 8.240 nan 0.000 0.480 30 Q N -0.026 119.771 119.800 -0.004 0.000 2.320 30 Q HA 0.607 4.947 4.340 -0.000 0.000 0.272 30 Q C -2.202 173.799 176.000 0.002 0.000 1.023 30 Q CA -0.862 54.940 55.803 -0.002 0.000 0.855 30 Q CB 2.107 30.844 28.738 -0.002 0.000 1.367 30 Q HN 0.446 nan 8.270 nan 0.000 0.406 31 I N 2.931 123.504 120.570 0.004 0.000 2.447 31 I HA 0.679 4.848 4.170 -0.000 0.000 0.287 31 I C 0.273 176.395 176.117 0.008 0.000 1.023 31 I CA -0.402 60.903 61.300 0.008 0.000 1.083 31 I CB 1.829 39.837 38.000 0.012 0.000 1.245 31 I HN 0.904 nan 8.210 nan 0.000 0.434 32 G N 3.694 112.499 108.800 0.008 0.000 2.787 32 G HA2 0.327 4.287 3.960 -0.000 0.000 0.685 32 G HA3 0.327 4.287 3.960 -0.000 0.000 0.685 32 G C 0.054 174.957 174.900 0.005 0.000 1.437 32 G CA -0.226 44.878 45.100 0.008 0.000 0.872 32 G HN 1.624 nan 8.290 nan 0.000 0.566 33 G N -0.787 108.015 108.800 0.004 0.000 2.615 33 G HA2 0.437 4.397 3.960 -0.000 0.000 0.218 33 G HA3 0.437 4.397 3.960 -0.000 0.000 0.218 33 G C 0.534 175.435 174.900 0.002 0.000 1.339 33 G CA 1.030 46.132 45.100 0.003 0.000 0.884 33 G HN 2.718 nan 8.290 nan 0.000 0.559 34 A N -0.448 122.373 122.820 0.001 0.000 2.350 34 A HA 0.681 5.001 4.320 -0.000 0.000 0.293 34 A C 1.439 179.022 177.584 -0.001 0.000 1.231 34 A CA 0.245 52.282 52.037 -0.000 0.000 0.883 34 A CB 0.233 19.233 19.000 -0.001 0.000 1.133 34 A HN 1.066 nan 8.150 nan 0.000 0.533 35 L N 2.923 124.146 121.223 -0.001 0.000 2.202 35 L HA 0.274 4.614 4.340 -0.000 0.000 0.205 35 L C 1.600 178.469 176.870 -0.002 0.000 1.083 35 L CA 1.093 55.932 54.840 -0.001 0.000 0.790 35 L CB -0.588 41.470 42.059 -0.001 0.000 0.942 35 L HN 1.073 nan 8.230 nan 0.000 0.452 36 G N -0.198 108.600 108.800 -0.002 0.000 2.587 36 G HA2 -0.166 3.793 3.960 -0.000 0.000 0.212 36 G HA3 -0.166 3.793 3.960 -0.000 0.000 0.212 36 G C -2.596 172.302 174.900 -0.003 0.000 1.327 36 G CA -0.800 44.298 45.100 -0.003 0.000 0.898 36 G HN 0.103 nan 8.290 nan 0.000 0.551 37 P HA 0.651 nan 4.420 nan 0.000 0.277 37 P C -0.322 176.975 177.300 -0.005 0.000 1.240 37 P CA 0.559 63.657 63.100 -0.004 0.000 0.798 37 P CB 1.484 33.181 31.700 -0.004 0.000 0.979 38 A N 0.985 123.802 122.820 -0.005 0.000 2.517 38 A HA 0.295 4.615 4.320 -0.000 0.000 0.297 38 A C 0.920 178.500 177.584 -0.007 0.000 1.050 38 A CA -0.498 51.535 52.037 -0.006 0.000 0.694 38 A CB 0.997 19.994 19.000 -0.005 0.000 1.277 38 A HN 0.440 nan 8.150 nan 0.000 0.400 39 E N 0.682 120.878 120.200 -0.007 0.000 2.086 39 E HA -0.207 4.143 4.350 -0.000 0.000 0.205 39 E C 0.805 177.399 176.600 -0.009 0.000 1.027 39 E CA 1.605 58.000 56.400 -0.008 0.000 0.830 39 E CB 0.118 29.812 29.700 -0.009 0.000 0.751 39 E HN 0.597 nan 8.360 nan 0.000 0.456 40 R N -0.699 119.795 120.500 -0.009 0.000 2.795 40 R HA 0.335 4.675 4.340 -0.000 0.000 0.275 40 R C -1.263 175.032 176.300 -0.009 0.000 0.981 40 R CA -0.235 55.858 56.100 -0.010 0.000 0.917 40 R CB 1.998 32.291 30.300 -0.013 0.000 1.202 40 R HN -0.160 nan 8.270 nan 0.000 0.469 41 T N 3.959 118.507 114.554 -0.010 0.000 2.881 41 T HA 0.482 4.832 4.350 -0.000 0.000 0.290 41 T C -0.537 174.157 174.700 -0.010 0.000 1.000 41 T CA -0.472 61.623 62.100 -0.009 0.000 0.978 41 T CB 0.929 69.792 68.868 -0.008 0.000 0.997 41 T HN 0.368 nan 8.240 nan 0.000 0.443 42 I N 2.384 122.949 120.570 -0.009 0.000 2.441 42 I HA 0.329 4.498 4.170 -0.000 0.000 0.295 42 I C -0.230 175.880 176.117 -0.012 0.000 0.994 42 I CA -0.796 60.497 61.300 -0.011 0.000 1.144 42 I CB 1.608 39.603 38.000 -0.009 0.000 1.314 42 I HN 0.470 nan 8.210 nan 0.000 0.445 43 D N 5.653 126.044 120.400 -0.016 0.000 2.428 43 D HA 0.314 4.954 4.640 -0.000 0.000 0.221 43 D C 0.386 176.672 176.300 -0.024 0.000 1.123 43 D CA -0.154 53.835 54.000 -0.019 0.000 0.869 43 D CB 1.593 42.381 40.800 -0.020 0.000 1.032 43 D HN 0.643 nan 8.370 nan 0.000 0.506 44 A N 3.217 126.023 122.820 -0.023 0.000 2.411 44 A HA 0.457 4.777 4.320 -0.000 0.000 0.251 44 A C 1.042 178.597 177.584 -0.047 0.000 1.317 44 A CA -0.164 51.854 52.037 -0.031 0.000 0.904 44 A CB -0.334 18.653 19.000 -0.021 0.000 0.993 44 A HN 0.589 nan 8.150 nan 0.000 0.504 45 A N -0.595 122.200 122.820 -0.043 0.000 2.567 45 A HA 0.401 4.721 4.320 -0.000 0.000 0.240 45 A C 1.679 179.219 177.584 -0.073 0.000 1.053 45 A CA 0.730 52.737 52.037 -0.050 0.000 0.755 45 A CB -0.650 18.326 19.000 -0.039 0.000 0.978 45 A HN 2.031 nan 8.150 nan 0.000 0.507 46 G N 2.079 110.825 108.800 -0.091 0.000 2.166 46 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.260 46 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.260 46 G C 0.310 175.092 174.900 -0.197 0.000 0.986 46 G CA 1.030 46.053 45.100 -0.129 0.000 0.683 46 G HN 1.013 nan 8.290 nan 0.000 0.527 47 R N -1.567 118.818 120.500 -0.191 0.000 2.854 47 R HA 0.619 4.959 4.340 -0.000 0.000 0.271 47 R C -0.902 175.261 176.300 -0.229 0.000 0.994 47 R CA -0.965 55.003 56.100 -0.220 0.000 0.945 47 R CB 1.107 31.343 30.300 -0.107 0.000 1.194 47 R HN 0.094 nan 8.270 nan 0.000 0.476 48 Y N 0.046 120.243 120.300 -0.171 0.000 2.320 48 Y HA 0.276 4.826 4.550 -0.000 0.000 0.324 48 Y C 0.300 175.971 175.900 -0.381 0.000 1.190 48 Y CA -0.763 57.093 58.100 -0.407 0.000 1.215 48 Y CB 1.411 39.309 38.460 -0.937 0.000 1.221 48 Y HN 0.139 nan 8.280 nan 0.000 0.486 49 V N 5.395 125.231 119.914 -0.130 0.000 2.257 49 V HA 0.248 4.368 4.120 -0.000 0.000 0.269 49 V C -0.669 175.440 176.094 0.026 0.000 1.040 49 V CA -0.732 61.552 62.300 -0.026 0.000 0.813 49 V CB -0.899 30.938 31.823 0.024 0.000 1.065 49 V HN 0.426 nan 8.190 nan 0.000 0.457 50 F N 4.955 125.007 119.950 0.169 0.000 2.378 50 F HA 0.607 5.134 4.527 -0.000 0.000 0.325 50 F C -1.921 173.937 175.800 0.096 0.000 1.097 50 F CA -2.914 55.159 58.000 0.122 0.000 1.079 50 F CB 0.773 39.860 39.000 0.144 0.000 1.240 50 F HN 0.244 nan 8.300 nan 0.000 0.519 51 P HA 0.180 nan 4.420 nan 0.000 0.274 51 P C -0.262 177.119 177.300 0.135 0.000 1.237 51 P CA -0.294 62.897 63.100 0.151 0.000 0.793 51 P CB 0.549 32.307 31.700 0.097 0.000 0.977 52 G N 1.406 110.266 108.800 0.101 0.000 2.441 52 G HA2 0.372 4.332 3.960 -0.000 0.000 0.243 52 G HA3 0.372 4.332 3.960 -0.000 0.000 0.243 52 G C 0.467 175.393 174.900 0.043 0.000 1.281 52 G CA -0.159 44.996 45.100 0.091 0.000 0.854 52 G HN 0.600 nan 8.290 nan 0.000 0.560 53 G N -0.168 108.658 108.800 0.042 0.000 2.484 53 G HA2 0.389 4.349 3.960 -0.000 0.000 0.235 53 G HA3 0.389 4.349 3.960 -0.000 0.000 0.235 53 G C -0.163 174.730 174.900 -0.011 0.000 1.282 53 G CA -0.369 44.722 45.100 -0.014 0.000 0.857 53 G HN 0.645 nan 8.290 nan 0.000 0.571 54 I N 1.596 122.148 120.570 -0.030 0.000 2.476 54 I HA 0.138 4.308 4.170 -0.000 0.000 0.281 54 I C -1.070 175.037 176.117 -0.016 0.000 1.040 54 I CA -0.662 60.628 61.300 -0.016 0.000 1.094 54 I CB 1.999 39.999 38.000 0.000 0.000 1.219 54 I HN 0.323 nan 8.210 nan 0.000 0.450 55 D N 6.328 126.716 120.400 -0.020 0.000 2.456 55 D HA 0.145 4.785 4.640 -0.000 0.000 0.219 55 D C 0.845 177.125 176.300 -0.033 0.000 1.126 55 D CA -0.253 53.742 54.000 -0.008 0.000 0.890 55 D CB 1.661 42.456 40.800 -0.007 0.000 1.025 55 D HN 0.381 nan 8.370 nan 0.000 0.511 56 V N 2.035 121.924 119.914 -0.041 0.000 3.602 56 V HA 0.186 4.306 4.120 -0.000 0.000 0.289 56 V C 0.297 176.347 176.094 -0.073 0.000 1.265 56 V CA 0.271 62.465 62.300 -0.177 0.000 1.202 56 V CB -1.090 30.470 31.823 -0.437 0.000 1.012 56 V HN 0.574 nan 8.190 nan 0.000 0.431 57 H N 0.911 119.953 119.070 -0.048 0.000 2.651 57 H HA 0.539 5.095 4.556 -0.000 0.000 0.252 57 H C -0.372 174.981 175.328 0.042 0.000 1.365 57 H CA 0.278 56.375 56.048 0.082 0.000 1.539 57 H CB 0.496 30.377 29.762 0.197 0.000 1.621 57 H HN 0.580 nan 8.280 nan 0.000 0.526 58 T N 0.127 114.769 114.554 0.147 0.000 2.907 58 T HA 0.305 4.655 4.350 -0.000 0.000 0.292 58 T C -0.449 174.225 174.700 -0.043 0.000 1.043 58 T CA -0.967 61.167 62.100 0.057 0.000 1.003 58 T CB 1.972 70.849 68.868 0.014 0.000 1.084 58 T HN 0.512 nan 8.240 nan 0.000 0.483 59 H N 1.808 121.064 119.070 0.310 0.000 2.439 59 H HA 0.330 4.886 4.556 -0.000 0.000 0.230 59 H C 1.186 176.565 175.328 0.086 0.000 1.420 59 H CA -0.537 55.665 56.048 0.257 0.000 1.305 59 H CB 0.321 30.222 29.762 0.230 0.000 1.667 59 H HN 0.439 nan 8.280 nan 0.000 0.515 60 V N 0.433 120.384 119.914 0.061 0.000 2.278 60 V HA -0.213 3.907 4.120 -0.000 0.000 0.251 60 V C 1.059 177.068 176.094 -0.142 0.000 1.062 60 V CA 1.846 64.062 62.300 -0.140 0.000 1.038 60 V CB 0.028 31.480 31.823 -0.618 0.000 0.646 60 V HN 0.489 nan 8.190 nan 0.000 0.447 61 E N -1.227 118.914 120.200 -0.098 0.000 2.265 61 E HA 0.474 4.824 4.350 -0.000 0.000 0.262 61 E C -1.056 175.530 176.600 -0.024 0.000 0.889 61 E CA -0.120 56.220 56.400 -0.100 0.000 0.789 61 E CB 1.870 31.496 29.700 -0.124 0.000 1.221 61 E HN 0.265 nan 8.360 nan 0.000 0.414 62 T N 1.555 116.077 114.554 -0.054 0.000 2.896 62 T HA 0.443 4.793 4.350 -0.000 0.000 0.297 62 T C -1.340 173.405 174.700 0.075 0.000 1.108 62 T CA -0.501 61.629 62.100 0.050 0.000 1.004 62 T CB 1.690 70.590 68.868 0.054 0.000 1.159 62 T HN 0.157 nan 8.240 nan 0.000 0.499 63 V N 2.309 122.317 119.914 0.157 0.000 2.380 63 V HA 0.598 4.718 4.120 -0.000 0.000 0.286 63 V C -0.342 175.865 176.094 0.188 0.000 1.015 63 V CA -0.662 61.737 62.300 0.165 0.000 0.834 63 V CB 1.436 33.309 31.823 0.085 0.000 1.009 63 V HN 0.846 nan 8.190 nan 0.000 0.428 64 S N 5.040 120.889 115.700 0.247 0.000 2.530 64 S HA 0.659 5.129 4.470 -0.000 0.000 0.322 64 S C -0.492 174.158 174.600 0.083 0.000 1.085 64 S CA -0.364 57.891 58.200 0.091 0.000 1.096 64 S CB 0.081 63.242 63.200 -0.064 0.000 0.988 64 S HN 1.012 nan 8.310 nan 0.000 0.466 65 F N 5.095 124.988 119.950 -0.095 0.000 2.807 65 F HA -0.252 4.275 4.527 -0.000 0.000 0.297 65 F C 0.662 176.432 175.800 -0.051 0.000 1.024 65 F CA 1.208 59.154 58.000 -0.089 0.000 1.008 65 F CB -1.617 37.301 39.000 -0.136 0.000 1.142 65 F HN 1.055 nan 8.300 nan 0.000 0.829 66 N N -0.632 117.972 118.700 -0.159 0.000 2.922 66 N HA -0.274 4.466 4.740 -0.000 0.000 0.224 66 N C 0.317 175.807 175.510 -0.033 0.000 0.833 66 N CA 2.130 55.090 53.050 -0.149 0.000 1.103 66 N CB -0.911 37.398 38.487 -0.295 0.000 1.000 66 N HN 0.824 nan 8.380 nan 0.000 0.621 67 T N 0.091 114.665 114.554 0.033 0.000 2.922 67 T HA 0.446 4.796 4.350 -0.000 0.000 0.285 67 T C -0.413 174.384 174.700 0.162 0.000 1.005 67 T CA -0.369 61.799 62.100 0.114 0.000 1.061 67 T CB 0.858 69.830 68.868 0.174 0.000 1.007 67 T HN 0.226 nan 8.240 nan 0.000 0.502 68 Q N 1.640 121.547 119.800 0.178 0.000 2.215 68 Q HA 0.491 4.831 4.340 -0.000 0.000 0.256 68 Q C 0.009 176.068 176.000 0.098 0.000 0.972 68 Q CA -0.989 54.899 55.803 0.141 0.000 0.889 68 Q CB 1.567 30.350 28.738 0.075 0.000 1.281 68 Q HN 0.833 nan 8.270 nan 0.000 0.456 69 S N -0.025 115.623 115.700 -0.087 0.000 2.576 69 S HA 0.265 4.735 4.470 -0.000 0.000 0.276 69 S C 0.936 175.445 174.600 -0.153 0.000 1.339 69 S CA -0.122 57.825 58.200 -0.421 0.000 1.039 69 S CB 1.282 64.080 63.200 -0.669 0.000 0.902 69 S HN 0.759 nan 8.310 nan 0.000 0.516 70 A N 1.738 124.505 122.820 -0.089 0.000 1.908 70 A HA -0.031 4.289 4.320 -0.000 0.000 0.218 70 A C 0.861 178.433 177.584 -0.020 0.000 1.181 70 A CA 1.211 53.283 52.037 0.058 0.000 0.627 70 A CB -0.669 18.395 19.000 0.107 0.000 0.818 70 A HN 0.845 nan 8.150 nan 0.000 0.445 71 D N -0.433 119.913 120.400 -0.089 0.000 2.283 71 D HA 0.463 5.103 4.640 -0.000 0.000 0.248 71 D C 0.460 176.716 176.300 -0.074 0.000 1.072 71 D CA 0.718 54.683 54.000 -0.059 0.000 0.929 71 D CB 1.384 42.173 40.800 -0.018 0.000 1.182 71 D HN 0.431 nan 8.370 nan 0.000 0.433 72 T N -2.044 112.479 114.554 -0.051 0.000 2.910 72 T HA 0.296 4.646 4.350 -0.000 0.000 0.287 72 T C 1.096 175.778 174.700 -0.030 0.000 1.050 72 T CA -0.686 61.392 62.100 -0.038 0.000 1.011 72 T CB 0.450 69.311 68.868 -0.012 0.000 1.195 72 T HN 0.138 nan 8.240 nan 0.000 0.540 73 F N 0.872 120.747 119.950 -0.126 0.000 2.202 73 F HA 0.055 4.582 4.527 -0.000 0.000 0.301 73 F C 2.641 178.380 175.800 -0.100 0.000 1.082 73 F CA 1.773 59.697 58.000 -0.128 0.000 1.313 73 F CB -0.601 38.280 39.000 -0.198 0.000 1.024 73 F HN 0.796 nan 8.300 nan 0.000 0.495 74 A N -0.642 122.242 122.820 0.107 0.000 1.874 74 A HA -0.129 4.190 4.320 -0.000 0.000 0.214 74 A C 2.245 179.810 177.584 -0.033 0.000 1.189 74 A CA 1.886 53.946 52.037 0.039 0.000 0.615 74 A CB -1.388 17.626 19.000 0.024 0.000 0.830 74 A HN 0.395 nan 8.150 nan 0.000 0.443 75 T N -1.807 112.724 114.554 -0.038 0.000 2.867 75 T HA 0.077 4.427 4.350 -0.000 0.000 0.268 75 T C 1.902 176.548 174.700 -0.090 0.000 1.057 75 T CA 1.620 63.684 62.100 -0.060 0.000 1.136 75 T CB -0.476 68.372 68.868 -0.034 0.000 0.874 75 T HN 0.487 nan 8.240 nan 0.000 0.466 76 A N 2.481 125.238 122.820 -0.104 0.000 1.854 76 A HA 0.004 4.324 4.320 -0.000 0.000 0.214 76 A C 2.779 180.249 177.584 -0.191 0.000 1.192 76 A CA 2.180 54.113 52.037 -0.172 0.000 0.611 76 A CB -1.517 17.359 19.000 -0.206 0.000 0.832 76 A HN 0.694 nan 8.150 nan 0.000 0.442 77 T N -2.065 112.405 114.554 -0.140 0.000 2.803 77 T HA -0.130 4.220 4.350 -0.000 0.000 0.269 77 T C 1.663 176.277 174.700 -0.143 0.000 1.052 77 T CA 1.577 63.623 62.100 -0.089 0.000 1.136 77 T CB -0.765 68.124 68.868 0.034 0.000 0.864 77 T HN 0.049 nan 8.240 nan 0.000 0.467 78 V N 1.938 121.713 119.914 -0.231 0.000 2.358 78 V HA -0.023 4.097 4.120 -0.000 0.000 0.246 78 V C 3.219 179.142 176.094 -0.285 0.000 1.047 78 V CA 1.512 63.546 62.300 -0.443 0.000 1.035 78 V CB -1.349 30.139 31.823 -0.558 0.000 0.658 78 V HN 0.680 nan 8.190 nan 0.000 0.452 79 A N -0.002 122.715 122.820 -0.172 0.000 1.902 79 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 79 A C 2.438 179.955 177.584 -0.111 0.000 1.181 79 A CA 2.003 53.983 52.037 -0.095 0.000 0.623 79 A CB -0.780 18.170 19.000 -0.083 0.000 0.818 79 A HN 0.557 nan 8.150 nan 0.000 0.443 80 A N 0.051 122.789 122.820 -0.138 0.000 1.883 80 A HA 0.073 4.393 4.320 -0.000 0.000 0.217 80 A C 2.541 180.098 177.584 -0.046 0.000 1.186 80 A CA 2.431 54.408 52.037 -0.099 0.000 0.624 80 A CB -1.154 17.787 19.000 -0.099 0.000 0.822 80 A HN 1.115 nan 8.150 nan 0.000 0.444 81 A N -1.054 121.738 122.820 -0.046 0.000 1.883 81 A HA -0.205 4.115 4.320 -0.000 0.000 0.217 81 A C 2.250 179.829 177.584 -0.010 0.000 1.186 81 A CA 1.740 53.784 52.037 0.011 0.000 0.624 81 A CB -1.368 17.677 19.000 0.075 0.000 0.822 81 A HN 0.642 nan 8.150 nan 0.000 0.444 82 C N -0.865 118.377 119.300 -0.096 0.000 2.422 82 C HA 0.096 4.556 4.460 -0.000 0.000 0.286 82 C C 2.482 177.417 174.990 -0.092 0.000 1.412 82 C CA 0.525 59.432 59.018 -0.185 0.000 1.786 82 C CB -1.459 25.954 27.740 -0.545 0.000 1.835 82 C HN 0.717 nan 8.230 nan 0.000 0.533 83 G N -1.245 107.539 108.800 -0.028 0.000 3.088 83 G HA2 0.413 4.373 3.960 -0.000 0.000 0.217 83 G HA3 0.413 4.373 3.960 -0.000 0.000 0.217 83 G C 1.181 176.149 174.900 0.112 0.000 1.159 83 G CA 0.789 45.908 45.100 0.031 0.000 0.760 83 G HN 0.786 nan 8.290 nan 0.000 0.550 84 G N -0.668 108.195 108.800 0.105 0.000 2.157 84 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.239 84 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.239 84 G C 0.230 175.219 174.900 0.150 0.000 0.982 84 G CA 0.314 45.529 45.100 0.193 0.000 0.650 84 G HN 0.562 nan 8.290 nan 0.000 0.527 85 T N 1.084 115.688 114.554 0.084 0.000 2.749 85 T HA 0.532 4.882 4.350 -0.000 0.000 0.287 85 T C 1.416 176.140 174.700 0.041 0.000 0.970 85 T CA 0.453 62.582 62.100 0.049 0.000 0.980 85 T CB 1.416 70.293 68.868 0.016 0.000 0.924 85 T HN 0.590 nan 8.240 nan 0.000 0.456 86 T N -0.335 114.245 114.554 0.043 0.000 3.022 86 T HA 0.212 4.562 4.350 -0.000 0.000 0.250 86 T C 0.732 175.450 174.700 0.029 0.000 1.060 86 T CA -0.044 62.082 62.100 0.043 0.000 1.013 86 T CB 0.319 69.215 68.868 0.046 0.000 0.982 86 T HN 0.468 nan 8.240 nan 0.000 0.508 87 T N 1.382 115.944 114.554 0.013 0.000 2.900 87 T HA 0.763 5.113 4.350 -0.000 0.000 0.295 87 T C -1.324 173.373 174.700 -0.006 0.000 1.044 87 T CA -0.561 61.537 62.100 -0.003 0.000 0.995 87 T CB 2.253 71.101 68.868 -0.034 0.000 1.072 87 T HN 0.257 nan 8.240 nan 0.000 0.473 88 I N 1.476 122.049 120.570 0.006 0.000 2.913 88 I HA 0.569 4.739 4.170 -0.000 0.000 0.302 88 I C -1.446 174.644 176.117 -0.045 0.000 1.246 88 I CA -0.960 60.333 61.300 -0.011 0.000 1.010 88 I CB 2.284 40.295 38.000 0.019 0.000 1.259 88 I HN 0.335 nan 8.210 nan 0.000 0.434 89 V N 4.104 123.923 119.914 -0.158 0.000 2.357 89 V HA 0.297 4.417 4.120 -0.000 0.000 0.281 89 V C -0.637 175.256 176.094 -0.334 0.000 1.015 89 V CA -0.582 61.505 62.300 -0.355 0.000 0.827 89 V CB 1.199 32.577 31.823 -0.742 0.000 1.018 89 V HN 0.629 nan 8.190 nan 0.000 0.432 90 D N 2.525 122.898 120.400 -0.045 0.000 2.329 90 D HA 0.435 5.075 4.640 -0.000 0.000 0.246 90 D C -0.606 175.678 176.300 -0.027 0.000 1.111 90 D CA -0.140 53.902 54.000 0.071 0.000 0.941 90 D CB 0.878 41.895 40.800 0.361 0.000 1.169 90 D HN 0.322 nan 8.370 nan 0.000 0.441 91 F N 2.183 122.252 119.950 0.198 0.000 2.368 91 F HA 0.183 4.710 4.527 -0.000 0.000 0.362 91 F C 0.379 176.024 175.800 -0.258 0.000 1.137 91 F CA -0.798 57.278 58.000 0.126 0.000 1.161 91 F CB 0.492 39.676 39.000 0.308 0.000 1.265 91 F HN 0.227 nan 8.300 nan 0.000 0.530 92 C N 5.959 124.917 119.300 -0.571 0.000 2.624 92 C HA 0.206 4.665 4.460 -0.000 0.000 0.397 92 C C 0.354 174.786 174.990 -0.931 0.000 1.331 92 C CA -0.401 57.609 59.018 -1.680 0.000 1.716 92 C CB -0.954 26.046 27.740 -1.233 0.000 2.452 92 C HN 0.812 nan 8.230 nan 0.000 0.586 93 Q N 4.498 123.635 119.800 -1.105 0.000 2.303 93 Q HA 0.252 4.592 4.340 -0.000 0.000 0.257 93 Q C -0.024 175.902 176.000 -0.124 0.000 0.941 93 Q CA -0.114 55.510 55.803 -0.299 0.000 0.931 93 Q CB 0.911 29.638 28.738 -0.018 0.000 1.215 93 Q HN 0.913 nan 8.270 nan 0.000 0.437 94 Q N 3.216 122.987 119.800 -0.048 0.000 2.394 94 Q HA 0.048 4.388 4.340 -0.000 0.000 0.248 94 Q C -0.976 175.062 176.000 0.063 0.000 0.992 94 Q CA 0.039 55.852 55.803 0.017 0.000 0.888 94 Q CB 0.830 29.580 28.738 0.021 0.000 1.257 94 Q HN 0.566 nan 8.270 nan 0.000 0.462 95 D N 3.016 123.483 120.400 0.111 0.000 2.192 95 D HA 0.163 4.803 4.640 -0.000 0.000 0.246 95 D C -0.425 175.969 176.300 0.158 0.000 1.042 95 D CA -0.411 53.677 54.000 0.148 0.000 0.847 95 D CB 1.103 42.015 40.800 0.187 0.000 1.186 95 D HN 0.486 nan 8.370 nan 0.000 0.461 96 R N 0.757 121.316 120.500 0.098 0.000 2.537 96 R HA 0.144 4.484 4.340 -0.000 0.000 0.281 96 R C 1.007 177.302 176.300 -0.009 0.000 0.988 96 R CA 1.220 57.346 56.100 0.043 0.000 1.077 96 R CB -0.036 30.279 30.300 0.024 0.000 0.932 96 R HN 0.755 nan 8.270 nan 0.000 0.409 97 G N 2.651 111.410 108.800 -0.068 0.000 2.199 97 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.254 97 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.254 97 G C -0.064 174.628 174.900 -0.347 0.000 0.982 97 G CA 0.185 45.162 45.100 -0.206 0.000 0.632 97 G HN 0.730 nan 8.290 nan 0.000 0.529 98 H N 0.519 119.594 119.070 0.009 0.000 2.676 98 H HA 0.685 5.240 4.556 -0.000 0.000 0.352 98 H C 0.824 176.155 175.328 0.006 0.000 1.193 98 H CA 0.176 56.230 56.048 0.010 0.000 1.243 98 H CB 1.618 31.391 29.762 0.018 0.000 1.751 98 H HN 0.446 nan 8.280 nan 0.000 0.567 99 S N 0.124 115.910 115.700 0.144 0.000 2.655 99 S HA 0.189 4.659 4.470 -0.000 0.000 0.265 99 S C 1.531 176.163 174.600 0.054 0.000 1.240 99 S CA -0.738 57.504 58.200 0.069 0.000 0.986 99 S CB 0.553 63.784 63.200 0.053 0.000 0.985 99 S HN 0.539 nan 8.310 nan 0.000 0.562 100 L N 0.587 121.821 121.223 0.019 0.000 2.072 100 L HA 0.014 4.354 4.340 -0.000 0.000 0.205 100 L C 3.105 179.983 176.870 0.013 0.000 1.079 100 L CA 1.333 56.174 54.840 0.001 0.000 0.752 100 L CB -1.247 40.794 42.059 -0.030 0.000 0.906 100 L HN 0.926 nan 8.230 nan 0.000 0.436 101 A N 0.230 123.062 122.820 0.020 0.000 1.892 101 A HA -0.263 4.057 4.320 -0.000 0.000 0.218 101 A C 2.151 179.753 177.584 0.031 0.000 1.188 101 A CA 1.902 53.955 52.037 0.027 0.000 0.631 101 A CB -0.591 18.425 19.000 0.025 0.000 0.822 101 A HN 0.446 nan 8.150 nan 0.000 0.447 102 E N -0.551 119.672 120.200 0.038 0.000 2.130 102 E HA -0.212 4.138 4.350 -0.000 0.000 0.196 102 E C 2.303 178.924 176.600 0.035 0.000 0.998 102 E CA 1.076 57.494 56.400 0.031 0.000 0.806 102 E CB -0.289 29.438 29.700 0.045 0.000 0.738 102 E HN 0.657 nan 8.360 nan 0.000 0.459 103 A N 0.767 123.615 122.820 0.046 0.000 1.873 103 A HA -0.115 4.205 4.320 -0.000 0.000 0.215 103 A C 2.507 180.144 177.584 0.088 0.000 1.186 103 A CA 1.052 53.131 52.037 0.070 0.000 0.616 103 A CB -0.573 18.426 19.000 -0.002 0.000 0.823 103 A HN 0.107 nan 8.150 nan 0.000 0.442 104 V N 0.105 120.034 119.914 0.024 0.000 2.295 104 V HA -0.272 3.848 4.120 -0.000 0.000 0.246 104 V C 3.076 179.216 176.094 0.077 0.000 1.049 104 V CA 1.997 64.312 62.300 0.025 0.000 1.024 104 V CB -1.363 30.495 31.823 0.059 0.000 0.648 104 V HN 0.610 nan 8.190 nan 0.000 0.447 105 A N -0.127 122.726 122.820 0.054 0.000 1.908 105 A HA -0.318 4.002 4.320 -0.000 0.000 0.218 105 A C 2.355 179.958 177.584 0.032 0.000 1.181 105 A CA 2.425 54.482 52.037 0.033 0.000 0.627 105 A CB -0.558 18.451 19.000 0.015 0.000 0.818 105 A HN 0.557 nan 8.150 nan 0.000 0.445 106 K N -1.508 118.929 120.400 0.062 0.000 2.097 106 K HA -0.181 4.139 4.320 -0.000 0.000 0.206 106 K C 2.003 178.595 176.600 -0.014 0.000 1.049 106 K CA 1.374 57.682 56.287 0.036 0.000 0.933 106 K CB -0.274 32.286 32.500 0.101 0.000 0.717 106 K HN 0.741 nan 8.250 nan 0.000 0.442 107 W N 1.851 123.047 121.300 -0.174 0.000 2.379 107 W HA -0.190 4.470 4.660 -0.000 0.000 0.307 107 W C 1.564 177.961 176.519 -0.203 0.000 1.200 107 W CA 1.114 58.304 57.345 -0.258 0.000 1.297 107 W CB -0.216 28.864 29.460 -0.634 0.000 1.140 107 W HN 0.236 nan 8.180 nan 0.000 0.507 108 D N -0.461 119.980 120.400 0.069 0.000 2.158 108 D HA -0.158 4.482 4.640 -0.000 0.000 0.197 108 D C 2.200 178.436 176.300 -0.106 0.000 0.995 108 D CA 1.849 55.869 54.000 0.033 0.000 0.846 108 D CB -0.974 39.846 40.800 0.034 0.000 0.941 108 D HN 0.188 nan 8.370 nan 0.000 0.456 109 G N 0.500 109.231 108.800 -0.115 0.000 2.440 109 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.218 109 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.218 109 G C 1.679 176.452 174.900 -0.212 0.000 1.154 109 G CA 0.642 45.660 45.100 -0.135 0.000 0.767 109 G HN 0.234 nan 8.290 nan 0.000 0.552 110 M N 0.341 119.742 119.600 -0.332 0.000 2.236 110 M HA 0.171 4.651 4.480 -0.000 0.000 0.266 110 M C 2.935 178.885 176.300 -0.585 0.000 1.070 110 M CA 1.234 56.295 55.300 -0.399 0.000 1.137 110 M CB 0.021 32.329 32.600 -0.487 0.000 1.378 110 M HN 0.308 nan 8.290 nan 0.000 0.426 111 A N 0.416 122.678 122.820 -0.929 0.000 1.871 111 A HA 0.250 4.570 4.320 -0.000 0.000 0.211 111 A C 1.564 178.856 177.584 -0.488 0.000 1.207 111 A CA 0.677 51.929 52.037 -1.308 0.000 0.620 111 A CB -1.321 16.494 19.000 -1.976 0.000 0.860 111 A HN 0.438 nan 8.150 nan 0.000 0.450 112 G N -0.678 107.991 108.800 -0.219 0.000 2.093 112 G HA2 0.384 4.344 3.960 -0.000 0.000 0.250 112 G HA3 0.384 4.344 3.960 -0.000 0.000 0.250 112 G C 1.242 176.126 174.900 -0.026 0.000 1.056 112 G CA 0.304 45.388 45.100 -0.026 0.000 0.916 112 G HN 1.756 nan 8.290 nan 0.000 0.421 113 G N 1.918 110.741 108.800 0.037 0.000 2.187 113 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.261 113 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.261 113 G C 0.897 175.813 174.900 0.026 0.000 1.000 113 G CA 1.077 46.197 45.100 0.035 0.000 0.718 113 G HN 0.893 nan 8.290 nan 0.000 0.519 114 K N -0.781 119.626 120.400 0.011 0.000 2.529 114 K HA 0.212 4.532 4.320 -0.000 0.000 0.215 114 K C 0.533 177.178 176.600 0.075 0.000 1.286 114 K CA 0.108 56.406 56.287 0.019 0.000 0.997 114 K CB 0.939 33.421 32.500 -0.031 0.000 1.063 114 K HN 0.197 nan 8.250 nan 0.000 0.590 115 S N 1.486 117.257 115.700 0.119 0.000 2.474 115 S HA 0.253 4.723 4.470 -0.000 0.000 0.276 115 S C 0.979 175.704 174.600 0.208 0.000 1.227 115 S CA -0.364 57.975 58.200 0.233 0.000 1.050 115 S CB 1.461 64.902 63.200 0.401 0.000 0.939 115 S HN 0.338 nan 8.310 nan 0.000 0.490 116 A N 3.731 126.642 122.820 0.152 0.000 2.015 116 A HA 0.132 4.452 4.320 -0.000 0.000 0.219 116 A C 0.888 178.576 177.584 0.174 0.000 1.163 116 A CA 0.786 52.917 52.037 0.157 0.000 0.646 116 A CB -0.569 18.442 19.000 0.019 0.000 0.806 116 A HN 0.857 nan 8.150 nan 0.000 0.448 117 I N -4.806 115.868 120.570 0.175 0.000 3.108 117 I HA 0.574 4.744 4.170 -0.000 0.000 0.312 117 I C -1.534 174.703 176.117 0.201 0.000 1.095 117 I CA -1.288 60.103 61.300 0.151 0.000 1.000 117 I CB 1.213 39.277 38.000 0.106 0.000 1.229 117 I HN -0.211 nan 8.210 nan 0.000 0.454 118 D N 1.659 122.112 120.400 0.087 0.000 2.368 118 D HA 0.387 5.027 4.640 -0.000 0.000 0.240 118 D C -1.098 175.228 176.300 0.043 0.000 1.169 118 D CA 1.034 55.013 54.000 -0.035 0.000 0.906 118 D CB 0.550 41.278 40.800 -0.120 0.000 1.187 118 D HN 0.583 nan 8.370 nan 0.000 0.435 119 Y N -2.309 117.971 120.300 -0.033 0.000 2.581 119 Y HA 0.685 5.235 4.550 -0.000 0.000 0.337 119 Y C -0.330 175.402 175.900 -0.280 0.000 1.108 119 Y CA -1.339 56.745 58.100 -0.028 0.000 1.033 119 Y CB 1.004 39.619 38.460 0.258 0.000 1.318 119 Y HN 0.376 nan 8.280 nan 0.000 0.459 120 G N 0.564 109.274 108.800 -0.150 0.000 2.816 120 G HA2 0.644 4.604 3.960 -0.000 0.000 0.288 120 G HA3 0.644 4.604 3.960 -0.000 0.000 0.288 120 G C -2.380 172.476 174.900 -0.072 0.000 1.334 120 G CA -1.083 43.741 45.100 -0.460 0.000 0.978 120 G HN 0.492 nan 8.290 nan 0.000 0.493 121 Y N -0.635 119.669 120.300 0.007 0.000 2.499 121 Y HA 0.521 5.071 4.550 -0.000 0.000 0.347 121 Y C 0.054 175.809 175.900 -0.241 0.000 0.987 121 Y CA -1.341 56.739 58.100 -0.034 0.000 1.044 121 Y CB 1.969 40.544 38.460 0.191 0.000 1.245 121 Y HN 0.365 nan 8.280 nan 0.000 0.461 122 H N 2.278 121.338 119.070 -0.016 0.000 2.529 122 H HA 0.432 4.988 4.556 -0.000 0.000 0.348 122 H C -0.989 174.377 175.328 0.064 0.000 1.152 122 H CA -0.813 55.188 56.048 -0.079 0.000 1.202 122 H CB 2.891 32.384 29.762 -0.448 0.000 1.562 122 H HN 0.526 nan 8.280 nan 0.000 0.515 123 I N 3.272 124.024 120.570 0.304 0.000 2.339 123 I HA 0.237 4.407 4.170 -0.000 0.000 0.290 123 I C -0.446 175.808 176.117 0.227 0.000 0.994 123 I CA -0.467 60.944 61.300 0.186 0.000 1.191 123 I CB 0.126 38.217 38.000 0.151 0.000 1.343 123 I HN 0.406 nan 8.210 nan 0.000 0.458 124 I N 7.945 128.615 120.570 0.167 0.000 2.371 124 I HA 0.236 4.406 4.170 -0.000 0.000 0.290 124 I C -0.553 175.636 176.117 0.120 0.000 1.028 124 I CA -0.668 60.756 61.300 0.207 0.000 1.345 124 I CB 1.122 39.255 38.000 0.221 0.000 1.407 124 I HN 0.200 nan 8.210 nan 0.000 0.501 125 V N 7.983 127.979 119.914 0.137 0.000 2.294 125 V HA 0.110 4.230 4.120 -0.000 0.000 0.272 125 V C 0.451 176.608 176.094 0.104 0.000 1.027 125 V CA -0.414 61.933 62.300 0.078 0.000 0.823 125 V CB 0.985 32.833 31.823 0.040 0.000 1.030 125 V HN 0.619 nan 8.190 nan 0.000 0.457 126 L N 0.764 122.030 121.223 0.073 0.000 2.906 126 L HA 0.656 4.996 4.340 -0.000 0.000 0.255 126 L C 0.315 177.210 176.870 0.042 0.000 1.166 126 L CA 0.406 55.285 54.840 0.064 0.000 0.977 126 L CB -0.020 42.051 42.059 0.020 0.000 1.313 126 L HN 0.475 nan 8.230 nan 0.000 0.549 127 D N 1.212 121.632 120.400 0.034 0.000 2.714 127 D HA 0.254 4.894 4.640 -0.000 0.000 0.264 127 D C -2.447 173.861 176.300 0.014 0.000 1.231 127 D CA -1.396 52.617 54.000 0.021 0.000 0.802 127 D CB 1.257 42.066 40.800 0.015 0.000 1.319 127 D HN 0.006 nan 8.370 nan 0.000 0.528 128 P HA -0.014 nan 4.420 nan 0.000 0.248 128 P C -0.030 177.272 177.300 0.004 0.000 1.553 128 P CA 0.121 63.228 63.100 0.012 0.000 0.901 128 P CB -0.610 31.105 31.700 0.024 0.000 1.816 129 T N 0.659 115.212 114.554 -0.002 0.000 2.900 129 T HA 0.000 4.350 4.350 -0.000 0.000 0.307 129 T C 1.215 175.911 174.700 -0.006 0.000 1.065 129 T CA 0.140 62.237 62.100 -0.005 0.000 1.105 129 T CB 0.486 69.348 68.868 -0.009 0.000 0.979 129 T HN 0.115 nan 8.240 nan 0.000 0.544 130 D N 1.255 121.653 120.400 -0.004 0.000 2.116 130 D HA -0.145 4.495 4.640 -0.000 0.000 0.193 130 D C 2.342 178.638 176.300 -0.007 0.000 0.998 130 D CA 1.949 55.948 54.000 -0.003 0.000 0.836 130 D CB -0.254 40.546 40.800 -0.000 0.000 0.951 130 D HN 0.579 nan 8.370 nan 0.000 0.449 131 S N -0.308 115.388 115.700 -0.008 0.000 2.368 131 S HA -0.124 4.346 4.470 -0.000 0.000 0.224 131 S C 2.239 176.829 174.600 -0.017 0.000 1.029 131 S CA 0.902 59.097 58.200 -0.008 0.000 0.988 131 S CB -0.783 62.414 63.200 -0.005 0.000 0.838 131 S HN 0.112 nan 8.310 nan 0.000 0.462 132 V N 2.465 122.368 119.914 -0.019 0.000 2.252 132 V HA -0.177 3.943 4.120 -0.000 0.000 0.249 132 V C 2.497 178.557 176.094 -0.058 0.000 1.056 132 V CA 2.106 64.387 62.300 -0.031 0.000 1.022 132 V CB -0.747 31.062 31.823 -0.023 0.000 0.641 132 V HN 0.505 nan 8.190 nan 0.000 0.445 133 I N -0.361 120.181 120.570 -0.048 0.000 2.361 133 I HA -0.218 3.952 4.170 -0.000 0.000 0.251 133 I C 2.500 178.581 176.117 -0.061 0.000 1.133 133 I CA 1.320 62.583 61.300 -0.062 0.000 1.413 133 I CB -0.248 37.736 38.000 -0.027 0.000 1.073 133 I HN 0.318 nan 8.210 nan 0.000 0.424 134 E N 0.928 121.106 120.200 -0.036 0.000 2.274 134 E HA -0.173 4.177 4.350 -0.000 0.000 0.194 134 E C 1.849 178.431 176.600 -0.031 0.000 0.996 134 E CA 0.849 57.236 56.400 -0.021 0.000 0.840 134 E CB -0.031 29.664 29.700 -0.008 0.000 0.772 134 E HN 0.415 nan 8.360 nan 0.000 0.491 135 E N -0.339 119.830 120.200 -0.052 0.000 2.268 135 E HA -0.094 4.256 4.350 -0.000 0.000 0.195 135 E C 1.635 178.180 176.600 -0.092 0.000 0.995 135 E CA 0.346 56.714 56.400 -0.054 0.000 0.836 135 E CB -0.030 29.637 29.700 -0.055 0.000 0.763 135 E HN 0.316 nan 8.360 nan 0.000 0.491 136 L N 1.116 122.231 121.223 -0.180 0.000 2.450 136 L HA -0.139 4.201 4.340 -0.000 0.000 0.224 136 L C 1.929 178.791 176.870 -0.014 0.000 1.149 136 L CA 0.680 55.331 54.840 -0.315 0.000 0.816 136 L CB -0.235 41.498 42.059 -0.544 0.000 0.932 136 L HN 0.076 nan 8.230 nan 0.000 0.449 137 E N -0.579 119.629 120.200 0.014 0.000 2.478 137 E HA -0.029 4.321 4.350 -0.000 0.000 0.194 137 E C 1.873 178.515 176.600 0.070 0.000 1.045 137 E CA 0.556 56.995 56.400 0.065 0.000 0.868 137 E CB 0.563 30.289 29.700 0.043 0.000 0.885 137 E HN 0.379 nan 8.360 nan 0.000 0.505 138 V N 0.172 120.118 119.914 0.053 0.000 2.743 138 V HA -0.091 4.029 4.120 -0.000 0.000 0.237 138 V C 2.053 178.200 176.094 0.088 0.000 1.113 138 V CA 0.245 62.582 62.300 0.060 0.000 1.141 138 V CB -0.188 31.658 31.823 0.037 0.000 0.873 138 V HN 0.093 nan 8.190 nan 0.000 0.486 139 L N 0.652 121.928 121.223 0.089 0.000 2.064 139 L HA -0.169 4.171 4.340 -0.000 0.000 0.216 139 L C -0.214 176.774 176.870 0.196 0.000 1.077 139 L CA 2.654 57.577 54.840 0.138 0.000 0.766 139 L CB -1.939 40.202 42.059 0.136 0.000 0.890 139 L HN 0.290 nan 8.230 nan 0.000 0.435 140 P HA -0.176 nan 4.420 nan 0.000 0.216 140 P C 1.009 178.396 177.300 0.144 0.000 1.157 140 P CA 1.619 64.841 63.100 0.204 0.000 0.880 140 P CB -0.060 31.760 31.700 0.200 0.000 0.791 141 D N -1.295 119.178 120.400 0.121 0.000 2.378 141 D HA -0.050 4.590 4.640 -0.000 0.000 0.222 141 D C 1.572 177.933 176.300 0.102 0.000 0.980 141 D CA 0.772 54.829 54.000 0.096 0.000 0.907 141 D CB -0.233 40.613 40.800 0.077 0.000 0.899 141 D HN 0.269 nan 8.370 nan 0.000 0.527 142 L N -1.017 120.282 121.223 0.126 0.000 2.567 142 L HA 0.206 4.546 4.340 -0.000 0.000 0.225 142 L C 1.463 178.461 176.870 0.214 0.000 1.119 142 L CA 0.355 55.280 54.840 0.141 0.000 0.871 142 L CB 0.186 42.322 42.059 0.128 0.000 1.036 142 L HN 0.063 nan 8.230 nan 0.000 0.459 143 G N 0.697 109.609 108.800 0.187 0.000 2.148 143 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.203 143 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.203 143 G C 0.067 175.078 174.900 0.185 0.000 0.993 143 G CA -0.579 44.621 45.100 0.168 0.000 0.661 143 G HN 0.124 nan 8.290 nan 0.000 0.518 144 I N 2.985 123.696 120.570 0.235 0.000 2.388 144 I HA 0.325 4.495 4.170 -0.000 0.000 0.281 144 I C 1.155 177.423 176.117 0.251 0.000 1.046 144 I CA 0.441 61.898 61.300 0.261 0.000 1.187 144 I CB 0.347 38.539 38.000 0.319 0.000 1.351 144 I HN 0.223 nan 8.210 nan 0.000 0.472 145 T N 0.110 114.755 114.554 0.151 0.000 3.215 145 T HA 0.231 4.581 4.350 -0.000 0.000 0.271 145 T C 0.412 175.044 174.700 -0.113 0.000 1.012 145 T CA -0.472 61.653 62.100 0.040 0.000 0.899 145 T CB -0.312 68.568 68.868 0.020 0.000 1.089 145 T HN 0.509 nan 8.240 nan 0.000 0.552 146 S N 0.829 116.538 115.700 0.016 0.000 2.736 146 S HA 0.756 5.226 4.470 -0.000 0.000 0.285 146 S C -0.937 173.794 174.600 0.219 0.000 1.163 146 S CA -0.892 57.296 58.200 -0.020 0.000 1.025 146 S CB 0.763 64.105 63.200 0.237 0.000 1.030 146 S HN 0.097 nan 8.310 nan 0.000 0.486 150 F N 1.691 121.692 119.950 0.084 0.000 2.469 150 F HA 0.753 5.280 4.527 -0.000 0.000 0.332 150 F C 1.089 176.937 175.800 0.080 0.000 1.103 150 F CA -0.894 57.160 58.000 0.090 0.000 0.979 150 F CB 2.232 41.270 39.000 0.063 0.000 1.137 150 F HN 0.507 nan 8.300 nan 0.000 0.463 151 M N 1.858 121.595 119.600 0.229 0.000 2.371 151 M HA 0.362 4.842 4.480 -0.000 0.000 0.246 151 M C 0.326 176.699 176.300 0.123 0.000 1.103 151 M CA 0.222 55.614 55.300 0.154 0.000 1.010 151 M CB 0.391 33.061 32.600 0.116 0.000 1.457 151 M HN 0.626 nan 8.290 nan 0.000 0.486 152 A N -1.481 121.398 122.820 0.097 0.000 2.443 152 A HA 0.698 5.018 4.320 -0.000 0.000 0.278 152 A C -1.109 176.445 177.584 -0.050 0.000 1.252 152 A CA -0.503 51.493 52.037 -0.069 0.000 0.816 152 A CB 0.616 19.466 19.000 -0.249 0.000 1.369 152 A HN 0.353 nan 8.150 nan 0.000 0.446 153 Y N -1.904 118.436 120.300 0.066 0.000 2.991 153 Y HA -0.090 4.460 4.550 -0.000 0.000 0.124 153 Y C 0.457 176.356 175.900 -0.002 0.000 2.010 153 Y CA 0.297 58.397 58.100 -0.000 0.000 1.007 153 Y CB -1.688 36.711 38.460 -0.101 0.000 1.603 153 Y HN 0.841 nan 8.280 nan 0.000 0.346 154 R N 1.599 122.188 120.500 0.149 0.000 2.640 154 R HA 0.419 4.759 4.340 -0.000 0.000 0.270 154 R C 1.288 177.631 176.300 0.071 0.000 1.024 154 R CA 1.235 57.391 56.100 0.094 0.000 1.085 154 R CB 0.144 30.489 30.300 0.075 0.000 0.963 154 R HN 1.114 nan 8.270 nan 0.000 0.426 155 G N 3.391 112.223 108.800 0.053 0.000 2.341 155 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.292 155 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.292 155 G C 0.206 175.120 174.900 0.024 0.000 1.021 155 G CA 0.913 46.035 45.100 0.036 0.000 0.905 155 G HN 0.641 nan 8.290 nan 0.000 0.508 156 M N -3.045 116.564 119.600 0.015 0.000 1.596 156 M HA 0.175 4.655 4.480 -0.000 0.000 0.175 156 M C 1.356 177.609 176.300 -0.078 0.000 1.277 156 M CA 0.955 56.233 55.300 -0.036 0.000 0.790 156 M CB 0.219 32.774 32.600 -0.075 0.000 1.619 156 M HN 0.091 nan 8.290 nan 0.000 0.610 157 N N -0.334 118.327 118.700 -0.064 0.000 2.325 157 N HA 0.293 5.033 4.740 -0.000 0.000 0.220 157 N C 0.100 175.654 175.510 0.073 0.000 1.176 157 N CA -0.101 52.874 53.050 -0.125 0.000 0.861 157 N CB 0.717 38.879 38.487 -0.542 0.000 1.230 157 N HN 0.204 nan 8.380 nan 0.000 0.479 158 M N 2.301 121.977 119.600 0.127 0.000 2.261 158 M HA 0.078 4.557 4.480 -0.000 0.000 0.350 158 M C -0.701 175.669 176.300 0.117 0.000 1.343 158 M CA 0.278 55.667 55.300 0.149 0.000 1.003 158 M CB 0.167 32.839 32.600 0.119 0.000 1.848 158 M HN 0.160 nan 8.290 nan 0.000 0.456 159 I N 1.832 122.479 120.570 0.129 0.000 3.170 159 I HA 0.756 4.926 4.170 -0.000 0.000 0.312 159 I C -0.968 175.199 176.117 0.084 0.000 1.085 159 I CA -0.833 60.526 61.300 0.098 0.000 0.999 159 I CB 1.697 39.761 38.000 0.106 0.000 1.233 159 I HN 0.693 nan 8.210 nan 0.000 0.467 160 D N -0.642 119.797 120.400 0.065 0.000 2.506 160 D HA 0.364 5.004 4.640 -0.000 0.000 0.254 160 D C 0.051 176.381 176.300 0.050 0.000 1.089 160 D CA -0.448 53.585 54.000 0.054 0.000 1.050 160 D CB 0.489 41.315 40.800 0.042 0.000 1.221 160 D HN 0.494 nan 8.370 nan 0.000 0.589 161 D N -0.592 119.832 120.400 0.041 0.000 2.149 161 D HA -0.124 4.516 4.640 -0.000 0.000 0.198 161 D C 2.112 178.433 176.300 0.035 0.000 0.990 161 D CA 0.812 54.834 54.000 0.036 0.000 0.839 161 D CB -0.284 40.533 40.800 0.027 0.000 0.948 161 D HN 0.228 nan 8.370 nan 0.000 0.460 162 V N 0.932 120.865 119.914 0.033 0.000 2.343 162 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 162 V C 2.479 178.594 176.094 0.035 0.000 1.051 162 V CA 1.958 64.276 62.300 0.030 0.000 1.036 162 V CB -0.852 30.986 31.823 0.026 0.000 0.654 162 V HN 0.234 nan 8.190 nan 0.000 0.451 163 T N 0.491 115.070 114.554 0.041 0.000 2.668 163 T HA -0.169 4.181 4.350 -0.000 0.000 0.262 163 T C 1.932 176.666 174.700 0.057 0.000 1.045 163 T CA 1.762 63.890 62.100 0.048 0.000 1.152 163 T CB -0.424 68.477 68.868 0.055 0.000 0.864 163 T HN 0.281 nan 8.240 nan 0.000 0.419 164 L N 1.103 122.363 121.223 0.061 0.000 2.043 164 L HA -0.058 4.282 4.340 -0.000 0.000 0.212 164 L C 2.171 179.076 176.870 0.059 0.000 1.075 164 L CA 1.625 56.504 54.840 0.065 0.000 0.752 164 L CB -0.950 41.144 42.059 0.058 0.000 0.891 164 L HN 0.267 nan 8.230 nan 0.000 0.432 165 L N -0.971 120.280 121.223 0.047 0.000 2.083 165 L HA -0.226 4.114 4.340 -0.000 0.000 0.209 165 L C 2.597 179.494 176.870 0.046 0.000 1.083 165 L CA 1.401 56.265 54.840 0.041 0.000 0.752 165 L CB -0.475 41.603 42.059 0.031 0.000 0.899 165 L HN 0.247 nan 8.230 nan 0.000 0.433 166 K N -0.876 119.552 120.400 0.047 0.000 2.097 166 K HA -0.103 4.217 4.320 -0.000 0.000 0.205 166 K C 2.076 178.717 176.600 0.068 0.000 1.050 166 K CA 1.658 57.973 56.287 0.048 0.000 0.938 166 K CB -0.142 32.380 32.500 0.036 0.000 0.718 166 K HN 0.277 nan 8.250 nan 0.000 0.442 167 T N 1.898 116.504 114.554 0.085 0.000 2.737 167 T HA -0.086 4.264 4.350 -0.000 0.000 0.265 167 T C 1.665 176.467 174.700 0.171 0.000 1.038 167 T CA 0.717 62.904 62.100 0.143 0.000 1.144 167 T CB -0.071 68.891 68.868 0.157 0.000 0.866 167 T HN -0.006 nan 8.240 nan 0.000 0.434 168 L N 1.884 123.172 121.223 0.108 0.000 2.079 168 L HA -0.094 4.246 4.340 -0.000 0.000 0.210 168 L C 2.385 179.292 176.870 0.062 0.000 1.081 168 L CA 1.654 56.537 54.840 0.072 0.000 0.752 168 L CB -1.224 40.860 42.059 0.042 0.000 0.896 168 L HN 0.359 nan 8.230 nan 0.000 0.433 169 D N -0.664 119.775 120.400 0.065 0.000 2.117 169 D HA -0.193 4.447 4.640 -0.000 0.000 0.198 169 D C 1.897 178.242 176.300 0.076 0.000 0.982 169 D CA 0.850 54.882 54.000 0.054 0.000 0.828 169 D CB 0.481 41.308 40.800 0.046 0.000 0.967 169 D HN 0.132 nan 8.370 nan 0.000 0.464 170 K N 0.711 121.181 120.400 0.116 0.000 2.097 170 K HA -0.035 4.285 4.320 -0.000 0.000 0.205 170 K C 2.064 178.803 176.600 0.232 0.000 1.050 170 K CA 0.825 57.209 56.287 0.161 0.000 0.938 170 K CB -0.543 32.053 32.500 0.161 0.000 0.718 170 K HN 0.139 nan 8.250 nan 0.000 0.442 171 A N 0.907 123.872 122.820 0.241 0.000 1.902 171 A HA -0.119 4.201 4.320 -0.000 0.000 0.217 171 A C 2.474 180.033 177.584 -0.042 0.000 1.181 171 A CA 1.556 53.627 52.037 0.056 0.000 0.623 171 A CB -0.623 18.326 19.000 -0.086 0.000 0.818 171 A HN 0.063 nan 8.150 nan 0.000 0.443 172 V N 0.053 119.953 119.914 -0.023 0.000 2.407 172 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 172 V C 2.420 178.504 176.094 -0.016 0.000 1.055 172 V CA 2.355 64.621 62.300 -0.056 0.000 1.049 172 V CB -0.592 31.213 31.823 -0.029 0.000 0.662 172 V HN 0.562 nan 8.190 nan 0.000 0.455 173 K N 0.243 120.661 120.400 0.030 0.000 2.155 173 K HA -0.093 4.227 4.320 -0.000 0.000 0.203 173 K C 1.897 178.532 176.600 0.059 0.000 1.052 173 K CA 1.733 58.048 56.287 0.047 0.000 0.948 173 K CB -0.270 32.265 32.500 0.058 0.000 0.728 173 K HN 0.667 nan 8.250 nan 0.000 0.448 174 T N -2.659 111.940 114.554 0.075 0.000 3.122 174 T HA 0.196 4.546 4.350 -0.000 0.000 0.250 174 T C 1.021 175.745 174.700 0.040 0.000 1.067 174 T CA 0.145 62.300 62.100 0.091 0.000 0.966 174 T CB 0.468 69.446 68.868 0.184 0.000 1.002 174 T HN 0.269 nan 8.240 nan 0.000 0.542 175 G N 1.000 109.785 108.800 -0.024 0.000 2.295 175 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.287 175 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.287 175 G C -0.009 174.792 174.900 -0.165 0.000 1.055 175 G CA 0.220 45.262 45.100 -0.096 0.000 0.922 175 G HN 0.706 nan 8.290 nan 0.000 0.503 176 S N -1.401 114.147 115.700 -0.252 0.000 2.739 176 S HA 0.816 5.286 4.470 -0.000 0.000 0.306 176 S C -0.344 174.000 174.600 -0.427 0.000 1.115 176 S CA -0.706 57.244 58.200 -0.417 0.000 0.985 176 S CB 2.049 64.724 63.200 -0.876 0.000 1.133 176 S HN 0.962 nan 8.310 nan 0.000 0.541 177 L N 1.940 122.906 121.223 -0.428 0.000 2.325 177 L HA 0.609 4.949 4.340 -0.000 0.000 0.281 177 L C -1.168 175.565 176.870 -0.228 0.000 1.004 177 L CA -0.460 54.214 54.840 -0.277 0.000 0.823 177 L CB 1.277 43.212 42.059 -0.208 0.000 1.236 177 L HN 0.410 nan 8.230 nan 0.000 0.415 178 V N 6.412 126.255 119.914 -0.119 0.000 2.498 178 V HA 0.385 4.505 4.120 -0.000 0.000 0.279 178 V C 0.457 176.585 176.094 0.056 0.000 1.048 178 V CA -0.107 62.193 62.300 -0.000 0.000 0.967 178 V CB 1.135 32.986 31.823 0.047 0.000 0.988 178 V HN 0.795 nan 8.190 nan 0.000 0.473 179 M N 5.203 124.850 119.600 0.079 0.000 2.508 179 M HA 0.723 5.203 4.480 -0.000 0.000 0.327 179 M C -0.891 175.422 176.300 0.022 0.000 1.160 179 M CA -0.767 54.593 55.300 0.100 0.000 0.980 179 M CB 2.279 34.912 32.600 0.055 0.000 1.693 179 M HN 0.463 nan 8.290 nan 0.000 0.452 180 V N 1.481 121.385 119.914 -0.018 0.000 2.851 180 V HA 0.371 4.491 4.120 -0.000 0.000 0.307 180 V C -1.755 174.247 176.094 -0.154 0.000 1.129 180 V CA -0.495 61.748 62.300 -0.094 0.000 0.932 180 V CB 2.164 33.975 31.823 -0.020 0.000 1.024 180 V HN 0.942 nan 8.190 nan 0.000 0.426 181 H N 5.797 124.654 119.070 -0.355 0.000 2.846 181 H HA 0.726 5.282 4.556 -0.000 0.000 0.278 181 H C 0.137 175.442 175.328 -0.039 0.000 1.117 181 H CA 0.378 56.295 56.048 -0.218 0.000 1.406 181 H CB 1.186 30.693 29.762 -0.426 0.000 1.445 181 H HN 0.970 nan 8.280 nan 0.000 0.469 182 A N 5.614 128.404 122.820 -0.050 0.000 2.478 182 A HA 0.340 4.660 4.320 -0.000 0.000 0.327 182 A C -0.419 177.153 177.584 -0.021 0.000 1.431 182 A CA -0.478 51.556 52.037 -0.004 0.000 1.014 182 A CB 0.069 19.056 19.000 -0.022 0.000 1.143 182 A HN 0.894 nan 8.150 nan 0.000 0.532 183 E N 1.282 121.518 120.200 0.060 0.000 2.343 183 E HA 0.145 4.495 4.350 -0.000 0.000 0.278 183 E C -1.225 175.407 176.600 0.052 0.000 0.910 183 E CA -0.851 55.571 56.400 0.038 0.000 0.757 183 E CB 1.690 31.426 29.700 0.060 0.000 1.218 183 E HN 0.621 nan 8.360 nan 0.000 0.435 184 N N 1.848 120.567 118.700 0.032 0.000 2.439 184 N HA 0.057 4.797 4.740 -0.000 0.000 0.243 184 N C 0.759 176.293 175.510 0.041 0.000 1.088 184 N CA 0.224 53.294 53.050 0.034 0.000 0.940 184 N CB 1.134 39.634 38.487 0.021 0.000 1.180 184 N HN 0.760 nan 8.380 nan 0.000 0.505 185 G N 3.088 111.913 108.800 0.043 0.000 2.440 185 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.218 185 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.218 185 G C 1.017 175.956 174.900 0.066 0.000 1.154 185 G CA 0.630 45.756 45.100 0.043 0.000 0.767 185 G HN 0.578 nan 8.290 nan 0.000 0.552 186 D N 1.115 121.552 120.400 0.061 0.000 2.117 186 D HA -0.061 4.579 4.640 -0.000 0.000 0.197 186 D C 2.857 179.212 176.300 0.091 0.000 0.987 186 D CA 1.253 55.296 54.000 0.070 0.000 0.829 186 D CB -0.520 40.308 40.800 0.046 0.000 0.961 186 D HN 0.321 nan 8.370 nan 0.000 0.460 187 A N 1.414 124.273 122.820 0.064 0.000 1.883 187 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 187 A C 2.372 180.043 177.584 0.146 0.000 1.186 187 A CA 2.455 54.536 52.037 0.073 0.000 0.624 187 A CB -0.773 18.247 19.000 0.032 0.000 0.822 187 A HN 0.251 nan 8.150 nan 0.000 0.444 188 A N 0.013 122.904 122.820 0.118 0.000 1.858 188 A HA -0.215 4.105 4.320 -0.000 0.000 0.216 188 A C 1.825 179.513 177.584 0.173 0.000 1.190 188 A CA 1.902 54.023 52.037 0.140 0.000 0.617 188 A CB -0.718 18.347 19.000 0.108 0.000 0.827 188 A HN 0.483 nan 8.150 nan 0.000 0.443 189 D N -1.500 118.991 120.400 0.151 0.000 2.116 189 D HA -0.211 4.429 4.640 -0.000 0.000 0.193 189 D C 1.692 178.077 176.300 0.141 0.000 0.998 189 D CA 1.879 55.962 54.000 0.139 0.000 0.836 189 D CB -0.565 40.302 40.800 0.112 0.000 0.951 189 D HN 0.629 nan 8.370 nan 0.000 0.449 190 Y N 1.451 121.774 120.300 0.038 0.000 2.081 190 Y HA -0.229 4.321 4.550 -0.000 0.000 0.280 190 Y C 2.285 178.182 175.900 -0.006 0.000 1.163 190 Y CA 1.559 59.665 58.100 0.009 0.000 1.135 190 Y CB -0.469 37.987 38.460 -0.006 0.000 0.970 190 Y HN -0.069 nan 8.280 nan 0.000 0.498 191 L N -0.259 121.013 121.223 0.082 0.000 2.109 191 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 191 L C 2.611 179.518 176.870 0.061 0.000 1.086 191 L CA 1.279 56.079 54.840 -0.067 0.000 0.760 191 L CB -0.516 41.614 42.059 0.117 0.000 0.910 191 L HN 0.162 nan 8.230 nan 0.000 0.437 192 R N 0.192 120.838 120.500 0.244 0.000 2.080 192 R HA -0.167 4.173 4.340 -0.000 0.000 0.236 192 R C 1.903 178.365 176.300 0.270 0.000 1.137 192 R CA 1.735 58.095 56.100 0.433 0.000 0.943 192 R CB -0.568 29.933 30.300 0.336 0.000 0.846 192 R HN 0.371 nan 8.270 nan 0.000 0.431 193 D N 0.580 121.019 120.400 0.065 0.000 2.144 193 D HA -0.151 4.489 4.640 -0.000 0.000 0.199 193 D C 1.726 177.977 176.300 -0.083 0.000 0.984 193 D CA 1.063 55.050 54.000 -0.021 0.000 0.834 193 D CB -0.146 40.620 40.800 -0.057 0.000 0.955 193 D HN 0.187 nan 8.370 nan 0.000 0.465 194 K N -0.233 120.029 120.400 -0.229 0.000 2.063 194 K HA -0.150 4.170 4.320 -0.000 0.000 0.208 194 K C 2.049 178.527 176.600 -0.203 0.000 1.048 194 K CA 0.907 56.992 56.287 -0.336 0.000 0.928 194 K CB -0.132 31.991 32.500 -0.627 0.000 0.713 194 K HN -0.049 nan 8.250 nan 0.000 0.442 195 F N 0.499 120.410 119.950 -0.065 0.000 2.102 195 F HA -0.174 4.353 4.527 -0.000 0.000 0.298 195 F C 2.245 178.000 175.800 -0.075 0.000 1.105 195 F CA 0.870 58.818 58.000 -0.086 0.000 1.239 195 F CB -0.703 38.288 39.000 -0.015 0.000 0.991 195 F HN -0.177 nan 8.300 nan 0.000 0.474 196 V N -0.132 119.912 119.914 0.216 0.000 2.407 196 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 196 V C 2.578 178.678 176.094 0.010 0.000 1.055 196 V CA 1.658 64.007 62.300 0.081 0.000 1.049 196 V CB -1.447 30.371 31.823 -0.009 0.000 0.662 196 V HN 0.352 nan 8.190 nan 0.000 0.455 197 A N -0.351 122.461 122.820 -0.014 0.000 1.972 197 A HA -0.231 4.089 4.320 -0.000 0.000 0.219 197 A C 2.030 179.595 177.584 -0.033 0.000 1.169 197 A CA 1.737 53.751 52.037 -0.038 0.000 0.635 197 A CB -0.423 18.538 19.000 -0.065 0.000 0.810 197 A HN 0.633 nan 8.150 nan 0.000 0.446 198 E N -1.431 118.752 120.200 -0.029 0.000 2.494 198 E HA 0.278 4.628 4.350 -0.000 0.000 0.193 198 E C 1.064 177.650 176.600 -0.025 0.000 1.074 198 E CA 0.250 56.634 56.400 -0.026 0.000 0.867 198 E CB -0.170 29.517 29.700 -0.022 0.000 0.924 198 E HN 0.731 nan 8.360 nan 0.000 0.502 199 G N 2.025 110.812 108.800 -0.022 0.000 2.162 199 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.260 199 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.260 199 G C 0.065 174.939 174.900 -0.043 0.000 0.976 199 G CA 0.019 45.107 45.100 -0.021 0.000 0.655 199 G HN 0.185 nan 8.290 nan 0.000 0.533 200 K N 1.037 121.364 120.400 -0.122 0.000 2.273 200 K HA 0.446 4.766 4.320 -0.000 0.000 0.287 200 K C 1.260 177.790 176.600 -0.116 0.000 1.089 200 K CA 0.463 56.518 56.287 -0.388 0.000 0.909 200 K CB 0.651 32.470 32.500 -1.135 0.000 1.123 200 K HN 0.358 nan 8.250 nan 0.000 0.473 201 T N -1.628 113.005 114.554 0.133 0.000 3.043 201 T HA 0.212 4.562 4.350 -0.000 0.000 0.272 201 T C 0.799 175.801 174.700 0.503 0.000 0.990 201 T CA -0.447 61.882 62.100 0.381 0.000 0.897 201 T CB 0.432 69.405 68.868 0.174 0.000 1.111 201 T HN 0.386 nan 8.240 nan 0.000 0.529 202 A N 2.671 125.755 122.820 0.441 0.000 2.429 202 A HA 0.505 4.825 4.320 -0.000 0.000 0.242 202 A C -0.983 176.733 177.584 0.220 0.000 1.088 202 A CA -1.099 51.123 52.037 0.309 0.000 0.784 202 A CB -0.015 19.102 19.000 0.195 0.000 1.038 202 A HN 0.152 nan 8.150 nan 0.000 0.501 203 P HA -0.190 nan 4.420 nan 0.000 0.216 203 P C 1.187 178.387 177.300 -0.166 0.000 1.150 203 P CA 1.418 64.533 63.100 0.024 0.000 0.843 203 P CB -0.177 31.493 31.700 -0.049 0.000 0.787 204 I N -2.695 117.690 120.570 -0.309 0.000 2.248 204 I HA -0.291 3.879 4.170 -0.000 0.000 0.248 204 I C 1.797 177.465 176.117 -0.749 0.000 1.107 204 I CA 1.657 62.649 61.300 -0.512 0.000 1.373 204 I CB -1.141 36.459 38.000 -0.665 0.000 1.055 204 I HN -0.024 nan 8.210 nan 0.000 0.418 205 Y N -0.007 119.891 120.300 -0.670 0.000 2.574 205 Y HA -0.201 4.349 4.550 -0.000 0.000 0.294 205 Y C 2.580 177.761 175.900 -1.198 0.000 1.142 205 Y CA 1.298 58.692 58.100 -1.177 0.000 1.314 205 Y CB -0.997 36.558 38.460 -1.508 0.000 0.991 205 Y HN 0.291 nan 8.280 nan 0.000 0.555 206 H N -0.232 118.363 119.070 -0.791 0.000 2.357 206 H HA -0.058 4.498 4.556 -0.000 0.000 0.301 206 H C 2.146 177.369 175.328 -0.175 0.000 1.082 206 H CA 1.441 57.304 56.048 -0.307 0.000 1.342 206 H CB -0.065 29.665 29.762 -0.054 0.000 1.389 206 H HN 0.179 nan 8.280 nan 0.000 0.511 207 A N 0.743 123.363 122.820 -0.332 0.000 1.854 207 A HA -0.004 4.316 4.320 -0.000 0.000 0.214 207 A C 2.495 179.959 177.584 -0.200 0.000 1.192 207 A CA 1.249 53.119 52.037 -0.279 0.000 0.611 207 A CB -0.845 18.037 19.000 -0.197 0.000 0.832 207 A HN 0.446 nan 8.150 nan 0.000 0.442 208 L N 0.934 122.015 121.223 -0.236 0.000 2.191 208 L HA -0.166 4.174 4.340 -0.000 0.000 0.212 208 L C 2.719 179.717 176.870 0.212 0.000 1.103 208 L CA 1.493 56.297 54.840 -0.059 0.000 0.769 208 L CB -0.586 41.362 42.059 -0.185 0.000 0.908 208 L HN 0.594 nan 8.230 nan 0.000 0.438 209 S N 0.486 116.276 115.700 0.150 0.000 2.515 209 S HA -0.081 4.389 4.470 -0.000 0.000 0.231 209 S C 1.059 175.764 174.600 0.175 0.000 0.987 209 S CA -0.047 58.367 58.200 0.357 0.000 0.936 209 S CB -0.163 63.261 63.200 0.373 0.000 0.766 209 S HN 0.603 nan 8.310 nan 0.000 0.528 210 R N 0.633 121.160 120.500 0.045 0.000 2.655 210 R HA 0.404 4.744 4.340 -0.000 0.000 0.261 210 R C -3.349 172.944 176.300 -0.012 0.000 1.624 210 R CA -1.551 54.557 56.100 0.013 0.000 1.655 210 R CB 0.337 30.618 30.300 -0.031 0.000 1.356 210 R HN 0.211 nan 8.270 nan 0.000 0.684 211 P HA 0.194 nan 4.420 nan 0.000 0.273 211 P C -2.003 175.294 177.300 -0.004 0.000 1.250 211 P CA -1.132 61.973 63.100 0.009 0.000 0.793 211 P CB 0.919 32.640 31.700 0.035 0.000 1.011 212 P HA -0.208 nan 4.420 nan 0.000 0.219 212 P C 1.766 179.056 177.300 -0.017 0.000 1.153 212 P CA 1.837 64.925 63.100 -0.020 0.000 0.865 212 P CB -0.148 31.542 31.700 -0.017 0.000 0.788 213 R N -0.356 120.140 120.500 -0.007 0.000 2.105 213 R HA -0.107 4.233 4.340 -0.000 0.000 0.239 213 R C 1.965 178.262 176.300 -0.007 0.000 1.135 213 R CA 1.307 57.403 56.100 -0.006 0.000 0.967 213 R CB -1.382 28.917 30.300 -0.001 0.000 0.861 213 R HN 0.014 nan 8.270 nan 0.000 0.442 214 V N 0.536 120.450 119.914 -0.000 0.000 2.332 214 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 214 V C 2.283 178.371 176.094 -0.009 0.000 1.055 214 V CA 2.315 64.617 62.300 0.004 0.000 1.038 214 V CB -0.532 31.301 31.823 0.016 0.000 0.651 214 V HN 0.494 nan 8.190 nan 0.000 0.450 215 E N -0.014 120.170 120.200 -0.026 0.000 2.028 215 E HA -0.167 4.183 4.350 -0.000 0.000 0.190 215 E C 2.301 178.880 176.600 -0.034 0.000 0.984 215 E CA 1.144 57.517 56.400 -0.045 0.000 0.800 215 E CB -0.248 29.407 29.700 -0.076 0.000 0.758 215 E HN 0.521 nan 8.360 nan 0.000 0.448 216 A N 1.887 124.689 122.820 -0.029 0.000 1.873 216 A HA -0.283 4.037 4.320 -0.000 0.000 0.218 216 A C 2.178 179.751 177.584 -0.018 0.000 1.193 216 A CA 1.955 53.977 52.037 -0.024 0.000 0.629 216 A CB -0.853 18.134 19.000 -0.020 0.000 0.826 216 A HN 0.386 nan 8.150 nan 0.000 0.447 217 E N 0.338 120.530 120.200 -0.014 0.000 2.033 217 E HA -0.223 4.127 4.350 -0.000 0.000 0.199 217 E C 2.284 178.881 176.600 -0.006 0.000 1.011 217 E CA 1.777 58.171 56.400 -0.010 0.000 0.815 217 E CB -0.593 29.102 29.700 -0.009 0.000 0.755 217 E HN 0.457 nan 8.360 nan 0.000 0.451 218 A N 0.294 123.112 122.820 -0.002 0.000 1.892 218 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 218 A C 2.527 180.110 177.584 -0.001 0.000 1.188 218 A CA 2.603 54.644 52.037 0.006 0.000 0.631 218 A CB -1.175 17.835 19.000 0.015 0.000 0.822 218 A HN 0.422 nan 8.150 nan 0.000 0.447 219 T N 0.348 114.895 114.554 -0.012 0.000 2.652 219 T HA -0.108 4.242 4.350 -0.000 0.000 0.267 219 T C 2.242 176.934 174.700 -0.014 0.000 1.039 219 T CA 1.996 64.085 62.100 -0.018 0.000 1.153 219 T CB -0.600 68.253 68.868 -0.026 0.000 0.863 219 T HN 0.653 nan 8.240 nan 0.000 0.428 220 A N 1.493 124.305 122.820 -0.014 0.000 1.908 220 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 220 A C 2.278 179.857 177.584 -0.007 0.000 1.181 220 A CA 2.181 54.210 52.037 -0.012 0.000 0.627 220 A CB -0.658 18.334 19.000 -0.013 0.000 0.818 220 A HN 0.459 nan 8.150 nan 0.000 0.445 221 R N -0.377 120.121 120.500 -0.003 0.000 2.083 221 R HA -0.106 4.234 4.340 -0.000 0.000 0.237 221 R C 2.319 178.623 176.300 0.005 0.000 1.137 221 R CA 1.737 57.839 56.100 0.002 0.000 0.951 221 R CB -0.525 29.779 30.300 0.007 0.000 0.851 221 R HN 0.421 nan 8.270 nan 0.000 0.434 222 A N 0.954 123.778 122.820 0.006 0.000 1.865 222 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 222 A C 2.236 179.822 177.584 0.003 0.000 1.191 222 A CA 1.668 53.711 52.037 0.009 0.000 0.623 222 A CB -0.754 18.250 19.000 0.007 0.000 0.826 222 A HN 0.384 nan 8.150 nan 0.000 0.444 223 L N -0.851 120.369 121.223 -0.005 0.000 2.083 223 L HA -0.211 4.129 4.340 -0.000 0.000 0.209 223 L C 3.074 179.940 176.870 -0.007 0.000 1.083 223 L CA 1.037 55.872 54.840 -0.009 0.000 0.752 223 L CB -0.575 41.474 42.059 -0.016 0.000 0.899 223 L HN 0.457 nan 8.230 nan 0.000 0.433 224 A N -0.182 122.635 122.820 -0.004 0.000 1.902 224 A HA -0.167 4.153 4.320 -0.000 0.000 0.217 224 A C 2.144 179.728 177.584 0.001 0.000 1.181 224 A CA 1.344 53.379 52.037 -0.003 0.000 0.623 224 A CB -0.527 18.472 19.000 -0.002 0.000 0.818 224 A HN 0.238 nan 8.150 nan 0.000 0.443 225 L N -0.361 120.865 121.223 0.005 0.000 2.046 225 L HA -0.106 4.234 4.340 -0.000 0.000 0.208 225 L C 2.969 179.844 176.870 0.008 0.000 1.077 225 L CA 1.817 56.663 54.840 0.010 0.000 0.747 225 L CB -1.357 40.712 42.059 0.017 0.000 0.896 225 L HN 0.418 nan 8.230 nan 0.000 0.432 226 A N -1.049 121.774 122.820 0.005 0.000 1.902 226 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 226 A C 2.349 179.931 177.584 -0.004 0.000 1.181 226 A CA 1.741 53.778 52.037 0.000 0.000 0.623 226 A CB -0.538 18.459 19.000 -0.004 0.000 0.818 226 A HN 0.494 nan 8.150 nan 0.000 0.443 227 E N -0.369 119.828 120.200 -0.004 0.000 2.077 227 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 227 E C 1.852 178.452 176.600 -0.001 0.000 0.989 227 E CA 1.269 57.666 56.400 -0.005 0.000 0.800 227 E CB -0.125 29.572 29.700 -0.006 0.000 0.746 227 E HN 0.517 nan 8.360 nan 0.000 0.452 228 I N 0.781 121.351 120.570 0.001 0.000 2.179 228 I HA -0.214 3.956 4.170 -0.000 0.000 0.242 228 I C 2.435 178.555 176.117 0.005 0.000 1.088 228 I CA 0.942 62.245 61.300 0.004 0.000 1.357 228 I CB -0.985 37.019 38.000 0.006 0.000 1.051 228 I HN 0.098 nan 8.210 nan 0.000 0.409 229 V N 0.367 120.285 119.914 0.006 0.000 2.809 229 V HA -0.123 3.997 4.120 -0.000 0.000 0.256 229 V C 1.056 177.151 176.094 0.002 0.000 1.080 229 V CA 0.901 63.205 62.300 0.007 0.000 1.102 229 V CB -1.180 30.650 31.823 0.011 0.000 0.705 229 V HN 0.695 nan 8.190 nan 0.000 0.475 230 N N -0.162 118.537 118.700 -0.002 0.000 2.753 230 N HA -0.165 4.575 4.740 -0.000 0.000 0.252 230 N C -0.401 175.100 175.510 -0.016 0.000 1.071 230 N CA 0.214 53.261 53.050 -0.005 0.000 0.690 230 N CB -0.875 37.612 38.487 0.001 0.000 0.906 230 N HN 0.568 nan 8.380 nan 0.000 0.552 231 A N 1.139 123.944 122.820 -0.024 0.000 2.469 231 A HA 0.824 5.144 4.320 -0.000 0.000 0.299 231 A C -2.690 174.861 177.584 -0.054 0.000 1.098 231 A CA -1.107 50.901 52.037 -0.049 0.000 0.737 231 A CB 1.740 20.715 19.000 -0.042 0.000 1.312 231 A HN 0.224 nan 8.150 nan 0.000 0.414 232 P HA 0.523 nan 4.420 nan 0.000 0.278 232 P C -0.826 176.443 177.300 -0.052 0.000 1.238 232 P CA 0.037 63.092 63.100 -0.076 0.000 0.794 232 P CB 1.420 33.043 31.700 -0.128 0.000 0.955 233 I N 2.129 122.690 120.570 -0.015 0.000 2.894 233 I HA 0.435 4.605 4.170 -0.000 0.000 0.302 233 I C -1.865 174.301 176.117 0.080 0.000 1.188 233 I CA -1.344 59.970 61.300 0.023 0.000 1.014 233 I CB 2.456 40.464 38.000 0.013 0.000 1.242 233 I HN 0.245 nan 8.210 nan 0.000 0.430 234 Y N 7.212 127.487 120.300 -0.041 0.000 2.326 234 Y HA 0.574 5.124 4.550 -0.000 0.000 0.329 234 Y C -1.249 174.636 175.900 -0.025 0.000 0.973 234 Y CA -0.729 57.357 58.100 -0.023 0.000 1.162 234 Y CB 1.165 39.627 38.460 0.004 0.000 1.147 234 Y HN 0.381 nan 8.280 nan 0.000 0.456 235 I N 7.676 128.128 120.570 -0.198 0.000 2.312 235 I HA 0.193 4.363 4.170 -0.000 0.000 0.291 235 I C -0.023 175.938 176.117 -0.260 0.000 1.031 235 I CA -0.497 60.708 61.300 -0.159 0.000 1.293 235 I CB 0.775 38.703 38.000 -0.120 0.000 1.403 235 I HN 0.470 nan 8.210 nan 0.000 0.484 236 V N 4.435 124.245 119.914 -0.174 0.000 3.003 236 V HA 0.325 4.445 4.120 -0.000 0.000 0.305 236 V C 0.179 176.040 176.094 -0.390 0.000 1.078 236 V CA -0.674 61.497 62.300 -0.215 0.000 1.083 236 V CB 0.368 32.016 31.823 -0.291 0.000 1.039 236 V HN 1.030 nan 8.190 nan 0.000 0.481 237 H N 0.312 119.400 119.070 0.030 0.000 2.252 237 H HA -0.127 4.429 4.556 -0.000 0.000 0.314 237 H C -0.519 174.606 175.328 -0.338 0.000 0.918 237 H CA 0.360 56.325 56.048 -0.139 0.000 1.042 237 H CB -2.651 27.119 29.762 0.013 0.000 1.604 237 H HN 0.668 nan 8.280 nan 0.000 0.331 238 V N 2.737 122.522 119.914 -0.216 0.000 2.470 238 V HA 0.204 4.324 4.120 -0.000 0.000 0.276 238 V C 1.656 177.536 176.094 -0.356 0.000 1.040 238 V CA 0.721 62.905 62.300 -0.193 0.000 1.008 238 V CB 1.208 33.009 31.823 -0.037 0.000 0.990 238 V HN 1.015 nan 8.190 nan 0.000 0.477 239 T N -0.066 114.253 114.554 -0.393 0.000 3.003 239 T HA 0.175 4.525 4.350 -0.000 0.000 0.261 239 T C 0.345 174.932 174.700 -0.187 0.000 1.003 239 T CA 0.400 62.189 62.100 -0.519 0.000 0.917 239 T CB 0.020 68.343 68.868 -0.908 0.000 1.084 239 T HN 0.801 nan 8.240 nan 0.000 0.522 240 C N -0.867 118.373 119.300 -0.099 0.000 3.323 240 C HA 0.693 5.153 4.460 -0.000 0.000 0.324 240 C C 1.440 176.427 174.990 -0.004 0.000 1.428 240 C CA -0.575 58.424 59.018 -0.031 0.000 1.368 240 C CB 1.397 29.116 27.740 -0.036 0.000 1.731 240 C HN 0.381 nan 8.230 nan 0.000 0.455 241 E N 1.021 121.223 120.200 0.003 0.000 2.085 241 E HA -0.233 4.117 4.350 -0.000 0.000 0.194 241 E C 1.903 178.499 176.600 -0.007 0.000 0.994 241 E CA 2.376 58.778 56.400 0.003 0.000 0.801 241 E CB -0.005 29.696 29.700 0.002 0.000 0.743 241 E HN 0.801 nan 8.360 nan 0.000 0.453 242 E N 0.678 120.870 120.200 -0.013 0.000 2.072 242 E HA -0.180 4.170 4.350 -0.000 0.000 0.191 242 E C 2.276 178.864 176.600 -0.019 0.000 0.985 242 E CA 1.538 57.928 56.400 -0.016 0.000 0.801 242 E CB -0.541 29.149 29.700 -0.016 0.000 0.750 242 E HN 0.346 nan 8.360 nan 0.000 0.452 243 S N 1.437 117.123 115.700 -0.023 0.000 2.387 243 S HA -0.090 4.380 4.470 -0.000 0.000 0.226 243 S C 2.121 176.714 174.600 -0.011 0.000 1.026 243 S CA 0.774 58.960 58.200 -0.024 0.000 0.972 243 S CB -0.516 62.659 63.200 -0.041 0.000 0.814 243 S HN 0.187 nan 8.310 nan 0.000 0.477 244 L N 2.284 123.510 121.223 0.005 0.000 2.083 244 L HA 0.019 4.359 4.340 -0.000 0.000 0.209 244 L C 2.481 179.333 176.870 -0.030 0.000 1.083 244 L CA 2.178 57.026 54.840 0.013 0.000 0.752 244 L CB -1.124 40.955 42.059 0.032 0.000 0.899 244 L HN 0.497 nan 8.230 nan 0.000 0.433 245 E N -0.819 119.365 120.200 -0.028 0.000 2.118 245 E HA -0.243 4.107 4.350 -0.000 0.000 0.195 245 E C 1.888 178.467 176.600 -0.035 0.000 0.992 245 E CA 1.347 57.727 56.400 -0.035 0.000 0.804 245 E CB 0.043 29.727 29.700 -0.026 0.000 0.741 245 E HN 0.549 nan 8.360 nan 0.000 0.458 246 E N 0.085 120.268 120.200 -0.029 0.000 2.106 246 E HA -0.136 4.214 4.350 -0.000 0.000 0.192 246 E C 2.285 178.865 176.600 -0.033 0.000 0.984 246 E CA 0.755 57.138 56.400 -0.028 0.000 0.806 246 E CB -0.203 29.483 29.700 -0.023 0.000 0.750 246 E HN 0.207 nan 8.360 nan 0.000 0.458 247 V N 1.254 121.146 119.914 -0.036 0.000 2.295 247 V HA -0.278 3.842 4.120 -0.000 0.000 0.246 247 V C 2.416 178.474 176.094 -0.061 0.000 1.049 247 V CA 1.770 64.042 62.300 -0.045 0.000 1.024 247 V CB -0.427 31.371 31.823 -0.041 0.000 0.648 247 V HN 0.189 nan 8.190 nan 0.000 0.447 248 M N -0.324 119.233 119.600 -0.071 0.000 2.108 248 M HA -0.146 4.334 4.480 -0.000 0.000 0.261 248 M C 2.215 178.481 176.300 -0.056 0.000 1.066 248 M CA 1.808 57.062 55.300 -0.077 0.000 1.107 248 M CB -0.685 31.866 32.600 -0.082 0.000 1.356 248 M HN 0.185 nan 8.290 nan 0.000 0.406 249 R N -0.952 119.521 120.500 -0.045 0.000 2.081 249 R HA -0.069 4.271 4.340 -0.000 0.000 0.235 249 R C 2.202 178.482 176.300 -0.033 0.000 1.131 249 R CA 1.408 57.487 56.100 -0.035 0.000 0.960 249 R CB -0.792 29.490 30.300 -0.029 0.000 0.856 249 R HN 0.437 nan 8.270 nan 0.000 0.436 250 A N 1.742 124.542 122.820 -0.034 0.000 1.877 250 A HA -0.205 4.115 4.320 -0.000 0.000 0.216 250 A C 1.942 179.506 177.584 -0.033 0.000 1.186 250 A CA 1.473 53.492 52.037 -0.030 0.000 0.620 250 A CB -0.322 18.660 19.000 -0.031 0.000 0.822 250 A HN 0.203 nan 8.150 nan 0.000 0.443 251 K N -0.078 120.296 120.400 -0.043 0.000 2.063 251 K HA -0.111 4.209 4.320 -0.000 0.000 0.208 251 K C 2.302 178.879 176.600 -0.038 0.000 1.048 251 K CA 1.605 57.865 56.287 -0.045 0.000 0.928 251 K CB -0.222 32.242 32.500 -0.061 0.000 0.713 251 K HN 0.426 nan 8.250 nan 0.000 0.442 252 S N 0.647 116.324 115.700 -0.038 0.000 2.402 252 S HA -0.061 4.409 4.470 -0.000 0.000 0.229 252 S C 1.560 176.145 174.600 -0.025 0.000 1.021 252 S CA 0.930 59.111 58.200 -0.032 0.000 0.974 252 S CB -0.068 63.113 63.200 -0.032 0.000 0.800 252 S HN 0.281 nan 8.310 nan 0.000 0.484 253 R N 0.372 120.858 120.500 -0.024 0.000 2.307 253 R HA 0.096 4.436 4.340 -0.000 0.000 0.199 253 R C 1.530 177.820 176.300 -0.017 0.000 1.000 253 R CA 0.658 56.747 56.100 -0.019 0.000 1.023 253 R CB -0.151 30.138 30.300 -0.017 0.000 0.908 253 R HN 0.495 nan 8.270 nan 0.000 0.473 254 G N 0.512 109.300 108.800 -0.019 0.000 2.179 254 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.220 254 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.220 254 G C 0.169 175.060 174.900 -0.015 0.000 0.990 254 G CA -0.178 44.912 45.100 -0.016 0.000 0.646 254 G HN 0.119 nan 8.290 nan 0.000 0.517 255 V N 1.391 121.294 119.914 -0.018 0.000 2.572 255 V HA 0.227 4.347 4.120 -0.000 0.000 0.291 255 V C 1.410 177.491 176.094 -0.021 0.000 1.039 255 V CA 0.028 62.317 62.300 -0.018 0.000 1.055 255 V CB 1.002 32.813 31.823 -0.020 0.000 0.969 255 V HN 0.367 nan 8.190 nan 0.000 0.482 256 R N 3.668 124.157 120.500 -0.019 0.000 3.688 256 R HA 0.378 4.718 4.340 -0.000 0.000 0.194 256 R C 0.215 176.500 176.300 -0.026 0.000 1.677 256 R CA -0.027 56.061 56.100 -0.020 0.000 1.351 256 R CB -0.009 30.281 30.300 -0.016 0.000 1.338 256 R HN 0.787 nan 8.270 nan 0.000 0.731 257 A N 3.194 125.995 122.820 -0.031 0.000 2.290 257 A HA 0.565 4.885 4.320 -0.000 0.000 0.310 257 A C -0.235 177.319 177.584 -0.050 0.000 1.202 257 A CA -0.583 51.432 52.037 -0.037 0.000 0.837 257 A CB 0.636 19.611 19.000 -0.041 0.000 1.139 257 A HN 0.480 nan 8.150 nan 0.000 0.509 258 L N 1.235 122.422 121.223 -0.060 0.000 2.323 258 L HA 0.927 5.267 4.340 -0.000 0.000 0.265 258 L C 0.234 176.955 176.870 -0.248 0.000 1.012 258 L CA -0.703 54.077 54.840 -0.101 0.000 0.820 258 L CB 2.105 44.158 42.059 -0.011 0.000 1.334 258 L HN 0.841 nan 8.230 nan 0.000 0.427 259 A N 1.225 123.884 122.820 -0.268 0.000 2.602 259 A HA 0.837 5.157 4.320 -0.000 0.000 0.290 259 A C -1.552 175.915 177.584 -0.196 0.000 1.114 259 A CA -0.483 51.379 52.037 -0.292 0.000 0.683 259 A CB 2.252 21.283 19.000 0.051 0.000 1.281 259 A HN 0.834 nan 8.150 nan 0.000 0.416 260 E N -0.903 119.096 120.200 -0.336 0.000 2.460 260 E HA 0.839 5.189 4.350 -0.000 0.000 0.277 260 E C -0.857 175.277 176.600 -0.776 0.000 1.010 260 E CA -0.825 55.331 56.400 -0.406 0.000 0.838 260 E CB 1.824 31.460 29.700 -0.107 0.000 1.448 260 E HN 0.515 nan 8.360 nan 0.000 0.462 261 T N -0.882 113.249 114.554 -0.704 0.000 2.804 261 T HA 0.628 4.978 4.350 -0.000 0.000 0.290 261 T C -1.021 173.543 174.700 -0.226 0.000 1.099 261 T CA -0.637 61.120 62.100 -0.573 0.000 1.011 261 T CB 1.244 69.655 68.868 -0.761 0.000 1.291 261 T HN 0.664 nan 8.240 nan 0.000 0.523 262 C N 1.324 120.569 119.300 -0.093 0.000 2.626 262 C HA 0.491 4.951 4.460 -0.000 0.000 0.310 262 C C 2.134 176.987 174.990 -0.229 0.000 1.191 262 C CA -0.607 58.344 59.018 -0.110 0.000 1.517 262 C CB 1.100 28.797 27.740 -0.072 0.000 2.102 262 C HN 1.090 nan 8.230 nan 0.000 0.479 263 T N 1.855 116.366 114.554 -0.072 0.000 2.616 263 T HA -0.327 4.023 4.350 -0.000 0.000 0.261 263 T C 1.719 176.485 174.700 0.109 0.000 1.105 263 T CA 2.736 64.860 62.100 0.040 0.000 1.159 263 T CB -0.598 68.333 68.868 0.105 0.000 0.856 263 T HN 0.934 nan 8.240 nan 0.000 0.449 264 H N -0.196 118.861 119.070 -0.023 0.000 2.489 264 H HA -0.068 4.488 4.556 -0.000 0.000 0.293 264 H C 1.640 176.867 175.328 -0.168 0.000 1.066 264 H CA 1.169 57.161 56.048 -0.093 0.000 1.305 264 H CB -0.983 28.457 29.762 -0.538 0.000 1.386 264 H HN 0.487 nan 8.280 nan 0.000 0.551 265 Y N 0.869 120.962 120.300 -0.345 0.000 2.578 265 Y HA 0.168 4.718 4.550 -0.000 0.000 0.297 265 Y C 2.039 177.828 175.900 -0.185 0.000 1.176 265 Y CA 0.152 58.140 58.100 -0.187 0.000 1.315 265 Y CB 0.151 38.437 38.460 -0.289 0.000 1.031 265 Y HN 0.144 nan 8.280 nan 0.000 0.524 266 L N -2.420 118.649 121.223 -0.257 0.000 2.766 266 L HA 0.111 4.451 4.340 -0.000 0.000 0.242 266 L C 0.366 176.611 176.870 -1.041 0.000 1.136 266 L CA 0.318 54.752 54.840 -0.676 0.000 0.933 266 L CB 0.194 41.704 42.059 -0.915 0.000 1.241 266 L HN 0.139 nan 8.230 nan 0.000 0.522 267 Y N -1.252 118.807 120.300 -0.401 0.000 2.524 267 Y HA 0.315 4.865 4.550 -0.000 0.000 0.276 267 Y C 0.670 176.656 175.900 0.143 0.000 1.155 267 Y CA -0.575 57.455 58.100 -0.118 0.000 1.165 267 Y CB 0.722 39.325 38.460 0.238 0.000 1.306 267 Y HN -0.164 nan 8.280 nan 0.000 0.522 268 L N 0.933 122.390 121.223 0.391 0.000 2.352 268 L HA 0.653 4.993 4.340 -0.000 0.000 0.269 268 L C 0.165 177.313 176.870 0.463 0.000 1.034 268 L CA -0.657 54.430 54.840 0.412 0.000 0.806 268 L CB 1.652 43.972 42.059 0.435 0.000 1.244 268 L HN 0.052 nan 8.230 nan 0.000 0.447 269 T N -3.293 111.408 114.554 0.244 0.000 2.906 269 T HA 0.270 4.620 4.350 -0.000 0.000 0.295 269 T C 0.496 175.218 174.700 0.037 0.000 1.075 269 T CA -0.913 61.269 62.100 0.136 0.000 1.005 269 T CB 1.880 70.775 68.868 0.044 0.000 1.136 269 T HN 0.739 nan 8.240 nan 0.000 0.498 270 K N 0.343 120.747 120.400 0.006 0.000 2.281 270 K HA -0.164 4.156 4.320 -0.000 0.000 0.203 270 K C 1.192 177.733 176.600 -0.098 0.000 1.046 270 K CA 1.625 57.878 56.287 -0.056 0.000 0.938 270 K CB -0.266 32.192 32.500 -0.071 0.000 0.737 270 K HN 0.528 nan 8.250 nan 0.000 0.458 271 E N 1.527 121.676 120.200 -0.084 0.000 2.265 271 E HA -0.132 4.218 4.350 -0.000 0.000 0.196 271 E C 1.345 177.865 176.600 -0.133 0.000 0.996 271 E CA 1.080 57.421 56.400 -0.099 0.000 0.832 271 E CB -0.164 29.493 29.700 -0.071 0.000 0.756 271 E HN 0.379 nan 8.360 nan 0.000 0.491 272 D N -0.345 119.945 120.400 -0.183 0.000 2.218 272 D HA -0.110 4.530 4.640 -0.000 0.000 0.204 272 D C 1.170 177.321 176.300 -0.248 0.000 0.976 272 D CA 0.627 54.412 54.000 -0.359 0.000 0.853 272 D CB 0.106 40.493 40.800 -0.689 0.000 0.939 272 D HN 0.183 nan 8.370 nan 0.000 0.481 273 L N 0.773 121.910 121.223 -0.145 0.000 2.622 273 L HA -0.024 4.316 4.340 -0.000 0.000 0.233 273 L C 1.729 178.539 176.870 -0.100 0.000 1.156 273 L CA 0.954 55.741 54.840 -0.088 0.000 0.866 273 L CB -0.212 41.775 42.059 -0.121 0.000 0.980 273 L HN -0.056 nan 8.230 nan 0.000 0.448 274 E N -0.823 119.313 120.200 -0.107 0.000 2.481 274 E HA 0.112 4.462 4.350 -0.000 0.000 0.198 274 E C 0.386 176.955 176.600 -0.051 0.000 1.027 274 E CA -0.270 56.078 56.400 -0.087 0.000 0.900 274 E CB 0.375 30.016 29.700 -0.099 0.000 0.993 274 E HN 0.366 nan 8.360 nan 0.000 0.482 275 R N 2.953 123.422 120.500 -0.052 0.000 2.583 275 R HA 0.012 4.352 4.340 -0.000 0.000 0.274 275 R C -2.086 174.220 176.300 0.010 0.000 0.998 275 R CA -0.759 55.326 56.100 -0.026 0.000 1.081 275 R CB -0.206 30.083 30.300 -0.019 0.000 0.940 275 R HN 0.043 nan 8.270 nan 0.000 0.413 276 P HA -0.113 nan 4.420 nan 0.000 0.271 276 P C -0.765 176.590 177.300 0.092 0.000 1.233 276 P CA 0.018 63.149 63.100 0.052 0.000 0.789 276 P CB 0.456 32.180 31.700 0.039 0.000 0.951 277 D N -0.160 120.315 120.400 0.125 0.000 2.723 277 D HA -0.245 4.395 4.640 -0.000 0.000 0.236 277 D C 0.331 176.831 176.300 0.334 0.000 1.138 277 D CA 0.765 54.874 54.000 0.182 0.000 0.676 277 D CB -1.894 38.993 40.800 0.145 0.000 1.069 277 D HN 0.560 nan 8.370 nan 0.000 0.430 278 F N -0.867 119.150 119.950 0.112 0.000 2.973 278 F HA -0.349 4.178 4.527 -0.000 0.000 0.299 278 F C 1.344 177.307 175.800 0.271 0.000 0.737 278 F CA 1.700 59.797 58.000 0.161 0.000 1.151 278 F CB -0.631 38.444 39.000 0.125 0.000 1.440 278 F HN 0.121 nan 8.300 nan 0.000 0.367 279 E N 0.063 120.332 120.200 0.116 0.000 2.110 279 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 279 E C 2.467 178.966 176.600 -0.168 0.000 0.988 279 E CA 1.134 57.453 56.400 -0.134 0.000 0.804 279 E CB -0.768 28.883 29.700 -0.081 0.000 0.745 279 E HN 0.641 nan 8.360 nan 0.000 0.458 280 G N 1.293 110.055 108.800 -0.064 0.000 2.499 280 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.221 280 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.221 280 G C 1.693 176.503 174.900 -0.149 0.000 1.109 280 G CA 1.089 46.188 45.100 -0.001 0.000 0.749 280 G HN 0.372 nan 8.290 nan 0.000 0.568 281 A N 0.857 123.412 122.820 -0.442 0.000 1.978 281 A HA -0.041 4.279 4.320 -0.000 0.000 0.220 281 A C 2.280 179.647 177.584 -0.360 0.000 1.170 281 A CA 1.873 53.571 52.037 -0.564 0.000 0.636 281 A CB -0.331 17.889 19.000 -1.300 0.000 0.810 281 A HN 0.416 nan 8.150 nan 0.000 0.448 282 K N -1.467 118.619 120.400 -0.523 0.000 2.152 282 K HA -0.157 4.163 4.320 -0.000 0.000 0.206 282 K C 0.669 176.891 176.600 -0.631 0.000 1.048 282 K CA 1.538 57.342 56.287 -0.805 0.000 0.933 282 K CB -0.281 31.315 32.500 -1.506 0.000 0.721 282 K HN 0.704 nan 8.250 nan 0.000 0.447 283 Y N 0.029 120.240 120.300 -0.149 0.000 2.495 283 Y HA 0.093 4.643 4.550 -0.000 0.000 0.293 283 Y C 0.242 175.830 175.900 -0.521 0.000 1.186 283 Y CA -0.380 57.617 58.100 -0.173 0.000 1.266 283 Y CB 0.318 38.679 38.460 -0.167 0.000 1.101 283 Y HN -0.285 nan 8.280 nan 0.000 0.517 284 V N 3.922 123.689 119.914 -0.246 0.000 2.276 284 V HA 0.100 4.220 4.120 -0.000 0.000 0.249 284 V C -0.386 175.622 176.094 -0.142 0.000 1.160 284 V CA -0.323 61.791 62.300 -0.309 0.000 1.042 284 V CB -1.693 29.925 31.823 -0.342 0.000 1.224 284 V HN 0.205 nan 8.190 nan 0.000 0.496 285 F N 1.397 121.462 119.950 0.192 0.000 2.640 285 F HA 0.907 5.434 4.527 -0.000 0.000 0.324 285 F C -0.115 175.967 175.800 0.470 0.000 1.077 285 F CA -1.270 56.888 58.000 0.264 0.000 0.965 285 F CB 1.506 40.596 39.000 0.151 0.000 1.351 285 F HN -0.010 nan 8.300 nan 0.000 0.487 286 T N 1.559 116.565 114.554 0.752 0.000 2.861 286 T HA 0.534 4.884 4.350 -0.000 0.000 0.287 286 T C -2.791 172.115 174.700 0.343 0.000 1.003 286 T CA -1.263 61.190 62.100 0.588 0.000 0.977 286 T CB 2.121 71.368 68.868 0.631 0.000 0.996 286 T HN 0.308 nan 8.240 nan 0.000 0.448 287 P HA 0.248 nan 4.420 nan 0.000 0.271 287 P C -2.555 174.951 177.300 0.344 0.000 1.244 287 P CA -1.170 61.972 63.100 0.070 0.000 0.793 287 P CB -0.277 31.312 31.700 -0.185 0.000 0.984 288 P HA 0.080 nan 4.420 nan 0.000 0.269 288 P C -0.722 176.769 177.300 0.319 0.000 1.215 288 P CA 0.064 63.242 63.100 0.130 0.000 0.780 288 P CB 0.170 31.819 31.700 -0.086 0.000 0.898 289 A N 2.898 125.872 122.820 0.256 0.000 2.511 289 A HA 0.140 4.460 4.320 -0.000 0.000 0.242 289 A C 0.885 178.606 177.584 0.228 0.000 1.069 289 A CA 0.222 52.511 52.037 0.419 0.000 0.763 289 A CB -0.097 19.065 19.000 0.269 0.000 1.001 289 A HN 0.374 nan 8.150 nan 0.000 0.498 290 R N 1.078 121.728 120.500 0.250 0.000 1.734 290 R HA 0.746 5.086 4.340 -0.000 0.000 0.117 290 R C 0.473 176.783 176.300 0.018 0.000 1.243 290 R CA 0.330 56.491 56.100 0.100 0.000 1.776 290 R CB -0.727 29.623 30.300 0.083 0.000 1.324 290 R HN 0.866 nan 8.270 nan 0.000 0.640 291 A N 0.088 122.869 122.820 -0.066 0.000 2.387 291 A HA 0.436 4.756 4.320 -0.000 0.000 0.303 291 A C 0.583 177.928 177.584 -0.398 0.000 1.145 291 A CA -0.526 51.415 52.037 -0.161 0.000 0.801 291 A CB 1.376 20.319 19.000 -0.095 0.000 1.342 291 A HN 0.415 nan 8.150 nan 0.000 0.440 292 K N 0.065 120.225 120.400 -0.400 0.000 2.103 292 K HA -0.206 4.114 4.320 -0.000 0.000 0.207 292 K C 1.696 178.175 176.600 -0.201 0.000 1.048 292 K CA 2.104 58.114 56.287 -0.462 0.000 0.930 292 K CB -0.219 32.200 32.500 -0.136 0.000 0.716 292 K HN 0.719 nan 8.250 nan 0.000 0.444 293 K N 0.996 121.331 120.400 -0.108 0.000 2.209 293 K HA -0.123 4.197 4.320 -0.000 0.000 0.204 293 K C 1.242 177.844 176.600 0.003 0.000 1.048 293 K CA 1.802 58.073 56.287 -0.026 0.000 0.940 293 K CB -0.048 32.440 32.500 -0.020 0.000 0.729 293 K HN 0.071 nan 8.250 nan 0.000 0.451 294 D N 0.695 121.074 120.400 -0.034 0.000 2.183 294 D HA -0.089 4.551 4.640 -0.000 0.000 0.203 294 D C 1.677 178.060 176.300 0.139 0.000 0.969 294 D CA 1.006 55.026 54.000 0.034 0.000 0.842 294 D CB -0.172 40.642 40.800 0.024 0.000 0.957 294 D HN 0.534 nan 8.370 nan 0.000 0.484 295 H N 0.927 120.044 119.070 0.079 0.000 2.321 295 H HA -0.091 4.465 4.556 -0.000 0.000 0.300 295 H C 1.586 177.040 175.328 0.209 0.000 1.087 295 H CA 0.812 56.923 56.048 0.104 0.000 1.319 295 H CB 0.317 30.171 29.762 0.154 0.000 1.379 295 H HN 0.057 nan 8.280 nan 0.000 0.501 296 D N 0.486 121.069 120.400 0.305 0.000 2.097 296 D HA -0.124 4.516 4.640 -0.000 0.000 0.195 296 D C 2.381 178.800 176.300 0.198 0.000 0.989 296 D CA 0.682 54.830 54.000 0.246 0.000 0.827 296 D CB -0.490 40.392 40.800 0.136 0.000 0.966 296 D HN 0.142 nan 8.370 nan 0.000 0.456 297 V N 1.405 121.400 119.914 0.135 0.000 2.282 297 V HA -0.249 3.871 4.120 -0.000 0.000 0.249 297 V C 2.699 178.862 176.094 0.115 0.000 1.057 297 V CA 1.358 63.715 62.300 0.094 0.000 1.032 297 V CB -0.534 31.326 31.823 0.063 0.000 0.645 297 V HN 0.179 nan 8.190 nan 0.000 0.447 298 L N -2.043 119.261 121.223 0.135 0.000 2.017 298 L HA -0.194 4.145 4.340 -0.000 0.000 0.208 298 L C 2.426 179.379 176.870 0.138 0.000 1.073 298 L CA 2.063 56.994 54.840 0.152 0.000 0.745 298 L CB -0.581 41.487 42.059 0.015 0.000 0.894 298 L HN 0.370 nan 8.230 nan 0.000 0.432 299 W N 0.476 121.828 121.300 0.086 0.000 2.338 299 W HA -0.195 4.465 4.660 -0.000 0.000 0.304 299 W C 2.617 179.156 176.519 0.033 0.000 1.212 299 W CA 0.653 58.025 57.345 0.046 0.000 1.264 299 W CB -0.318 29.144 29.460 0.004 0.000 1.142 299 W HN 0.190 nan 8.180 nan 0.000 0.512 300 N N 0.210 119.061 118.700 0.253 0.000 2.120 300 N HA -0.146 4.594 4.740 -0.000 0.000 0.188 300 N C 1.727 177.274 175.510 0.061 0.000 1.024 300 N CA 1.835 54.961 53.050 0.126 0.000 0.852 300 N CB -1.082 37.451 38.487 0.076 0.000 1.003 300 N HN 0.129 nan 8.380 nan 0.000 0.424 301 A N 1.103 123.937 122.820 0.023 0.000 1.933 301 A HA -0.088 4.231 4.320 -0.000 0.000 0.218 301 A C 2.125 179.653 177.584 -0.094 0.000 1.175 301 A CA 0.923 52.879 52.037 -0.134 0.000 0.628 301 A CB -0.510 18.295 19.000 -0.325 0.000 0.814 301 A HN 0.101 nan 8.150 nan 0.000 0.444 302 L N -0.261 121.013 121.223 0.085 0.000 1.994 302 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 302 L C 2.522 179.453 176.870 0.102 0.000 1.071 302 L CA 2.190 57.119 54.840 0.148 0.000 0.745 302 L CB -1.230 40.963 42.059 0.224 0.000 0.892 302 L HN 0.507 nan 8.230 nan 0.000 0.431 303 R N -0.403 120.172 120.500 0.126 0.000 2.159 303 R HA -0.150 4.190 4.340 -0.000 0.000 0.237 303 R C 1.479 177.795 176.300 0.027 0.000 1.131 303 R CA 1.279 57.427 56.100 0.081 0.000 0.982 303 R CB -0.042 30.305 30.300 0.078 0.000 0.868 303 R HN 0.456 nan 8.270 nan 0.000 0.453 304 N N -0.428 118.271 118.700 -0.001 0.000 2.398 304 N HA 0.011 4.751 4.740 -0.000 0.000 0.188 304 N C 0.472 175.950 175.510 -0.053 0.000 1.122 304 N CA 0.998 54.028 53.050 -0.034 0.000 0.866 304 N CB 1.004 39.458 38.487 -0.055 0.000 0.970 304 N HN 0.455 nan 8.380 nan 0.000 0.462 305 G N 0.583 109.357 108.800 -0.043 0.000 2.176 305 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.252 305 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.252 305 G C 0.995 175.836 174.900 -0.098 0.000 1.024 305 G CA 0.463 45.534 45.100 -0.048 0.000 0.755 305 G HN 0.206 nan 8.290 nan 0.000 0.507 306 V N -0.558 119.241 119.914 -0.193 0.000 2.283 306 V HA 0.150 4.270 4.120 -0.000 0.000 0.243 306 V C 1.679 177.597 176.094 -0.294 0.000 1.039 306 V CA 1.591 63.693 62.300 -0.330 0.000 1.016 306 V CB -0.510 30.957 31.823 -0.593 0.000 0.650 306 V HN 0.315 nan 8.190 nan 0.000 0.449 307 F N 0.661 120.570 119.950 -0.069 0.000 2.382 307 F HA 0.298 4.825 4.527 -0.000 0.000 0.331 307 F C 1.528 177.292 175.800 -0.059 0.000 1.121 307 F CA -0.810 57.140 58.000 -0.084 0.000 1.183 307 F CB 0.232 39.179 39.000 -0.087 0.000 1.207 307 F HN -0.009 nan 8.300 nan 0.000 0.555 308 E N -0.136 120.173 120.200 0.182 0.000 2.371 308 E HA 0.028 4.378 4.350 -0.000 0.000 0.194 308 E C 0.750 177.431 176.600 0.136 0.000 1.012 308 E CA 0.580 57.056 56.400 0.127 0.000 0.860 308 E CB 0.227 30.030 29.700 0.172 0.000 0.811 308 E HN 0.646 nan 8.360 nan 0.000 0.502 309 T N -1.474 113.160 114.554 0.134 0.000 2.652 309 T HA 0.242 4.592 4.350 -0.000 0.000 0.303 309 T C -1.949 172.755 174.700 0.006 0.000 1.738 309 T CA -0.610 61.539 62.100 0.081 0.000 0.969 309 T CB 0.987 69.942 68.868 0.144 0.000 1.778 309 T HN -0.249 nan 8.240 nan 0.000 0.494 310 V N 3.513 123.412 119.914 -0.024 0.000 2.340 310 V HA 0.556 4.676 4.120 -0.000 0.000 0.277 310 V C 0.539 176.623 176.094 -0.017 0.000 1.017 310 V CA -0.406 61.849 62.300 -0.075 0.000 0.820 310 V CB 0.691 32.453 31.823 -0.102 0.000 1.028 310 V HN 0.999 nan 8.190 nan 0.000 0.436 311 S N 3.079 118.795 115.700 0.027 0.000 2.694 311 S HA 0.484 4.954 4.470 -0.000 0.000 0.278 311 S C 1.168 175.798 174.600 0.050 0.000 1.152 311 S CA 0.122 58.366 58.200 0.073 0.000 1.010 311 S CB 1.674 64.984 63.200 0.185 0.000 1.104 311 S HN 0.786 nan 8.310 nan 0.000 0.547 312 S N -1.117 114.621 115.700 0.063 0.000 2.527 312 S HA 0.146 4.615 4.470 -0.000 0.000 0.227 312 S C 0.297 174.926 174.600 0.048 0.000 1.059 312 S CA 0.728 58.977 58.200 0.081 0.000 0.919 312 S CB -0.733 62.525 63.200 0.096 0.000 0.805 312 S HN 0.879 nan 8.310 nan 0.000 0.500 313 D N 1.421 121.762 120.400 -0.098 0.000 2.699 313 D HA -0.235 4.405 4.640 -0.000 0.000 0.239 313 D C -0.276 176.073 176.300 0.081 0.000 1.136 313 D CA 0.644 54.535 54.000 -0.182 0.000 0.668 313 D CB -2.432 38.231 40.800 -0.228 0.000 1.060 313 D HN 0.817 nan 8.370 nan 0.000 0.429 314 H N -0.081 118.995 119.070 0.011 0.000 3.046 314 H HA 0.383 4.939 4.556 -0.000 0.000 0.303 314 H C -0.233 175.107 175.328 0.020 0.000 1.002 314 H CA 0.657 56.693 56.048 -0.021 0.000 1.460 314 H CB 0.215 29.948 29.762 -0.047 0.000 1.493 314 H HN 0.259 nan 8.280 nan 0.000 0.559 315 C N 3.184 122.127 119.300 -0.595 0.000 2.971 315 C HA 0.567 5.027 4.460 -0.000 0.000 0.310 315 C C -0.675 173.820 174.990 -0.825 0.000 1.285 315 C CA -0.690 57.992 59.018 -0.560 0.000 1.593 315 C CB 1.681 29.250 27.740 -0.285 0.000 2.076 315 C HN 0.958 nan 8.230 nan 0.000 0.472 316 S N -0.052 115.107 115.700 -0.901 0.000 2.389 316 S HA 0.436 4.906 4.470 -0.000 0.000 0.201 316 S C -1.489 172.741 174.600 -0.617 0.000 1.422 316 S CA -0.407 57.409 58.200 -0.641 0.000 1.216 316 S CB -0.215 62.733 63.200 -0.419 0.000 1.130 316 S HN 0.786 nan 8.310 nan 0.000 0.465 317 W N 3.054 124.362 121.300 0.014 0.000 2.338 317 W HA 0.492 5.152 4.660 -0.000 0.000 0.315 317 W C -0.103 176.644 176.519 0.381 0.000 1.005 317 W CA -1.175 56.252 57.345 0.137 0.000 1.380 317 W CB 0.814 30.325 29.460 0.085 0.000 1.235 317 W HN 0.389 nan 8.180 nan 0.000 0.409 318 L N 3.715 125.421 121.223 0.805 0.000 2.653 318 L HA -0.209 4.131 4.340 -0.000 0.000 0.288 318 L C 1.670 178.800 176.870 0.432 0.000 1.243 318 L CA 0.003 55.121 54.840 0.463 0.000 0.906 318 L CB 0.103 42.263 42.059 0.169 0.000 1.154 318 L HN 0.547 nan 8.230 nan 0.000 0.498 319 F N 3.306 123.426 119.950 0.283 0.000 2.134 319 F HA -0.186 4.341 4.527 -0.000 0.000 0.299 319 F C 2.198 178.057 175.800 0.098 0.000 1.097 319 F CA 1.859 59.911 58.000 0.086 0.000 1.264 319 F CB -0.113 38.818 39.000 -0.114 0.000 1.001 319 F HN 0.515 nan 8.300 nan 0.000 0.479 320 K N -0.419 119.964 120.400 -0.029 0.000 2.020 320 K HA 0.068 4.388 4.320 -0.000 0.000 0.206 320 K C 2.435 178.945 176.600 -0.150 0.000 1.038 320 K CA 1.024 57.211 56.287 -0.166 0.000 0.947 320 K CB -0.971 31.497 32.500 -0.053 0.000 0.744 320 K HN 0.275 nan 8.250 nan 0.000 0.442 321 G N 0.598 109.299 108.800 -0.164 0.000 2.446 321 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 321 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 321 G C 1.263 175.941 174.900 -0.370 0.000 1.168 321 G CA 1.122 46.023 45.100 -0.331 0.000 0.771 321 G HN 0.371 nan 8.290 nan 0.000 0.551 322 H N -0.172 118.965 119.070 0.111 0.000 2.422 322 H HA 0.182 4.738 4.556 -0.000 0.000 0.303 322 H C 2.444 177.794 175.328 0.037 0.000 1.033 322 H CA 0.606 56.712 56.048 0.098 0.000 1.335 322 H CB -0.085 29.832 29.762 0.259 0.000 1.458 322 H HN 0.130 nan 8.280 nan 0.000 0.556 323 K N 1.330 121.854 120.400 0.207 0.000 2.152 323 K HA -0.126 4.194 4.320 -0.000 0.000 0.206 323 K C 1.493 178.223 176.600 0.217 0.000 1.048 323 K CA 0.615 57.002 56.287 0.167 0.000 0.933 323 K CB -0.280 32.323 32.500 0.172 0.000 0.721 323 K HN 0.324 nan 8.250 nan 0.000 0.447 324 D N 1.293 121.730 120.400 0.062 0.000 2.149 324 D HA -0.181 4.459 4.640 -0.000 0.000 0.194 324 D C 0.875 177.114 176.300 -0.101 0.000 1.001 324 D CA 0.925 54.876 54.000 -0.081 0.000 0.849 324 D CB -0.053 40.650 40.800 -0.162 0.000 0.939 324 D HN 0.386 nan 8.370 nan 0.000 0.449 325 R N -0.178 120.295 120.500 -0.044 0.000 4.559 325 R HA 0.264 4.604 4.340 -0.000 0.000 0.177 325 R C 0.711 176.981 176.300 -0.051 0.000 1.875 325 R CA 0.458 56.521 56.100 -0.062 0.000 1.509 325 R CB -0.453 29.821 30.300 -0.042 0.000 1.395 325 R HN 0.030 nan 8.270 nan 0.000 0.830 326 G N 1.397 110.170 108.800 -0.045 0.000 4.660 326 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.217 326 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.217 326 G C 0.709 175.627 174.900 0.030 0.000 0.646 326 G CA -0.664 44.456 45.100 0.033 0.000 0.852 326 G HN 0.350 nan 8.290 nan 0.000 0.640 327 R N 0.545 120.838 120.500 -0.344 0.000 2.341 327 R HA 0.050 4.390 4.340 -0.000 0.000 0.213 327 R C 0.751 176.921 176.300 -0.217 0.000 1.082 327 R CA 0.856 56.548 56.100 -0.680 0.000 1.017 327 R CB 0.076 29.863 30.300 -0.854 0.000 0.860 327 R HN 0.199 nan 8.270 nan 0.000 0.473 328 N N -0.122 118.515 118.700 -0.105 0.000 2.143 328 N HA 0.013 4.753 4.740 -0.000 0.000 0.229 328 N C -0.985 174.516 175.510 -0.015 0.000 1.294 328 N CA 0.117 53.140 53.050 -0.045 0.000 0.883 328 N CB 1.259 39.702 38.487 -0.073 0.000 1.148 328 N HN 0.011 nan 8.380 nan 0.000 0.511 329 D N 0.212 120.611 120.400 -0.002 0.000 2.296 329 D HA 0.009 4.649 4.640 -0.000 0.000 0.224 329 D C 0.718 176.965 176.300 -0.089 0.000 1.324 329 D CA -0.556 53.392 54.000 -0.087 0.000 0.940 329 D CB -0.116 40.581 40.800 -0.170 0.000 1.492 329 D HN -0.060 nan 8.370 nan 0.000 0.531 330 F N 2.812 122.815 119.950 0.088 0.000 2.225 330 F HA -0.116 4.411 4.527 -0.000 0.000 0.302 330 F C 1.719 177.547 175.800 0.047 0.000 1.068 330 F CA 0.930 58.984 58.000 0.091 0.000 1.327 330 F CB -0.478 38.600 39.000 0.131 0.000 1.043 330 F HN 0.168 nan 8.300 nan 0.000 0.506 331 R N 0.867 120.941 120.500 -0.710 0.000 2.115 331 R HA 0.029 4.369 4.340 -0.000 0.000 0.230 331 R C 2.394 178.558 176.300 -0.227 0.000 1.111 331 R CA 1.019 56.870 56.100 -0.415 0.000 0.976 331 R CB -0.623 29.357 30.300 -0.533 0.000 0.870 331 R HN 0.481 nan 8.270 nan 0.000 0.445 332 A N 1.010 123.695 122.820 -0.226 0.000 2.169 332 A HA 0.084 4.404 4.320 -0.000 0.000 0.212 332 A C 0.948 178.425 177.584 -0.179 0.000 1.153 332 A CA 0.069 51.974 52.037 -0.220 0.000 0.756 332 A CB -0.092 18.792 19.000 -0.194 0.000 0.813 332 A HN 0.104 nan 8.150 nan 0.000 0.471 333 I N 2.880 123.388 120.570 -0.102 0.000 2.581 333 I HA 0.087 4.257 4.170 -0.000 0.000 0.285 333 I C -1.997 173.994 176.117 -0.209 0.000 1.129 333 I CA -1.628 59.619 61.300 -0.088 0.000 1.397 333 I CB 0.656 38.642 38.000 -0.024 0.000 1.399 333 I HN 0.136 nan 8.210 nan 0.000 0.537 334 P HA 0.001 nan 4.420 nan 0.000 0.267 334 P C -0.842 176.228 177.300 -0.382 0.000 1.209 334 P CA 0.124 62.852 63.100 -0.619 0.000 0.763 334 P CB 0.278 31.201 31.700 -1.293 0.000 0.816 335 N N 1.635 120.226 118.700 -0.182 0.000 2.513 335 N HA 0.438 5.178 4.740 -0.000 0.000 0.268 335 N C 0.461 176.194 175.510 0.372 0.000 1.180 335 N CA 0.174 53.277 53.050 0.089 0.000 0.948 335 N CB 0.419 39.026 38.487 0.199 0.000 1.083 335 N HN 0.658 nan 8.380 nan 0.000 0.455 336 G N -0.205 108.840 108.800 0.410 0.000 2.348 336 G HA2 0.369 4.329 3.960 -0.000 0.000 0.606 336 G HA3 0.369 4.329 3.960 -0.000 0.000 0.606 336 G C -1.858 173.209 174.900 0.279 0.000 1.466 336 G CA -0.483 44.854 45.100 0.394 0.000 0.950 336 G HN 0.733 nan 8.290 nan 0.000 0.657 337 A N 2.203 125.047 122.820 0.040 0.000 2.539 337 A HA 1.013 5.333 4.320 -0.000 0.000 0.296 337 A C -2.884 174.501 177.584 -0.332 0.000 1.073 337 A CA -1.319 50.654 52.037 -0.106 0.000 0.700 337 A CB 2.649 21.594 19.000 -0.092 0.000 1.296 337 A HN 0.822 nan 8.150 nan 0.000 0.405 338 P HA 0.518 nan 4.420 nan 0.000 0.279 338 P C 0.383 177.655 177.300 -0.047 0.000 1.252 338 P CA 0.315 63.195 63.100 -0.366 0.000 0.811 338 P CB 1.681 33.162 31.700 -0.366 0.000 1.035 339 G N -0.115 108.885 108.800 0.333 0.000 4.589 339 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.218 339 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.218 339 G C 0.728 175.719 174.900 0.153 0.000 0.678 339 G CA 0.200 45.452 45.100 0.253 0.000 0.859 339 G HN 0.400 nan 8.290 nan 0.000 0.650 340 V N 0.603 120.541 119.914 0.040 0.000 2.469 340 V HA -0.090 4.030 4.120 -0.000 0.000 0.251 340 V C 2.263 178.294 176.094 -0.105 0.000 1.064 340 V CA 3.161 65.356 62.300 -0.176 0.000 1.066 340 V CB 0.409 31.899 31.823 -0.555 0.000 0.667 340 V HN 0.556 nan 8.190 nan 0.000 0.461 341 E N -0.654 119.499 120.200 -0.078 0.000 2.086 341 E HA -0.184 4.166 4.350 -0.000 0.000 0.190 341 E C 2.013 178.628 176.600 0.025 0.000 0.975 341 E CA 1.085 57.473 56.400 -0.019 0.000 0.813 341 E CB 0.052 29.756 29.700 0.008 0.000 0.768 341 E HN 0.720 nan 8.360 nan 0.000 0.457 342 E N 0.388 120.604 120.200 0.027 0.000 2.358 342 E HA -0.085 4.265 4.350 -0.000 0.000 0.195 342 E C 1.723 178.285 176.600 -0.064 0.000 1.010 342 E CA 0.167 56.550 56.400 -0.028 0.000 0.856 342 E CB -0.072 29.579 29.700 -0.080 0.000 0.795 342 E HN 0.128 nan 8.360 nan 0.000 0.504 343 R N 0.903 121.394 120.500 -0.015 0.000 2.168 343 R HA -0.246 4.094 4.340 -0.000 0.000 0.242 343 R C 1.945 178.304 176.300 0.098 0.000 1.123 343 R CA 1.867 57.973 56.100 0.010 0.000 0.928 343 R CB -0.521 29.797 30.300 0.029 0.000 0.873 343 R HN 0.212 nan 8.270 nan 0.000 0.434 344 L N 0.037 121.373 121.223 0.188 0.000 1.989 344 L HA -0.268 4.072 4.340 -0.000 0.000 0.211 344 L C 2.794 179.998 176.870 0.557 0.000 1.071 344 L CA 1.931 56.996 54.840 0.376 0.000 0.749 344 L CB -0.616 41.733 42.059 0.484 0.000 0.890 344 L HN 0.459 nan 8.230 nan 0.000 0.431 345 M N -1.233 118.687 119.600 0.533 0.000 2.082 345 M HA -0.272 4.208 4.480 -0.000 0.000 0.258 345 M C 2.437 178.933 176.300 0.327 0.000 1.069 345 M CA 1.737 57.340 55.300 0.505 0.000 1.102 345 M CB -0.308 32.436 32.600 0.240 0.000 1.336 345 M HN 0.246 nan 8.290 nan 0.000 0.404 346 M N -0.460 119.198 119.600 0.097 0.000 2.086 346 M HA -0.140 4.340 4.480 -0.000 0.000 0.261 346 M C 2.254 178.736 176.300 0.304 0.000 1.067 346 M CA 1.475 56.749 55.300 -0.043 0.000 1.116 346 M CB -1.219 31.101 32.600 -0.467 0.000 1.348 346 M HN 0.154 nan 8.290 nan 0.000 0.407 347 V N -0.842 119.286 119.914 0.357 0.000 2.427 347 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 347 V C 2.258 178.664 176.094 0.520 0.000 1.051 347 V CA 1.509 64.103 62.300 0.490 0.000 1.048 347 V CB -1.056 30.983 31.823 0.360 0.000 0.666 347 V HN 0.358 nan 8.190 nan 0.000 0.456 348 Y N 1.164 121.634 120.300 0.284 0.000 2.274 348 Y HA -0.227 4.323 4.550 -0.000 0.000 0.290 348 Y C 2.577 178.451 175.900 -0.043 0.000 1.145 348 Y CA 1.447 59.401 58.100 -0.244 0.000 1.203 348 Y CB -0.105 38.043 38.460 -0.519 0.000 0.984 348 Y HN 0.256 nan 8.280 nan 0.000 0.533 349 Q N -0.347 119.532 119.800 0.130 0.000 2.291 349 Q HA -0.105 4.235 4.340 -0.000 0.000 0.206 349 Q C 2.442 178.382 176.000 -0.099 0.000 0.976 349 Q CA 1.164 57.002 55.803 0.058 0.000 0.875 349 Q CB -0.974 27.894 28.738 0.216 0.000 0.927 349 Q HN 0.648 nan 8.270 nan 0.000 0.450 350 G N 0.703 109.457 108.800 -0.078 0.000 2.443 350 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.219 350 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.219 350 G C 1.527 176.216 174.900 -0.351 0.000 1.131 350 G CA 0.952 45.809 45.100 -0.405 0.000 0.775 350 G HN 0.391 nan 8.290 nan 0.000 0.547 351 V N -0.506 119.186 119.914 -0.371 0.000 2.591 351 V HA 0.006 4.126 4.120 -0.000 0.000 0.249 351 V C 1.929 177.811 176.094 -0.353 0.000 1.053 351 V CA 2.072 64.140 62.300 -0.386 0.000 1.068 351 V CB -0.693 30.790 31.823 -0.567 0.000 0.689 351 V HN 0.393 nan 8.190 nan 0.000 0.462 352 N N 0.551 119.019 118.700 -0.387 0.000 2.223 352 N HA -0.112 4.628 4.740 -0.000 0.000 0.185 352 N C 1.252 176.669 175.510 -0.155 0.000 1.016 352 N CA 1.555 54.475 53.050 -0.216 0.000 0.863 352 N CB -0.083 38.326 38.487 -0.131 0.000 0.983 352 N HN 0.674 nan 8.380 nan 0.000 0.429 353 E N -0.345 119.736 120.200 -0.198 0.000 2.437 353 E HA 0.147 4.497 4.350 -0.000 0.000 0.195 353 E C 0.776 177.257 176.600 -0.199 0.000 1.029 353 E CA -0.161 56.128 56.400 -0.184 0.000 0.948 353 E CB 0.583 30.155 29.700 -0.214 0.000 1.082 353 E HN 0.359 nan 8.360 nan 0.000 0.456 354 G N 2.110 110.801 108.800 -0.182 0.000 2.196 354 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.268 354 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.268 354 G C 1.266 176.063 174.900 -0.171 0.000 0.975 354 G CA 0.633 45.645 45.100 -0.147 0.000 0.648 354 G HN 0.225 nan 8.290 nan 0.000 0.538 355 R N -0.858 119.469 120.500 -0.288 0.000 2.081 355 R HA 0.133 4.473 4.340 -0.000 0.000 0.235 355 R C 1.008 177.227 176.300 -0.136 0.000 1.131 355 R CA 1.459 57.353 56.100 -0.343 0.000 0.960 355 R CB -0.170 29.588 30.300 -0.904 0.000 0.856 355 R HN 0.570 nan 8.270 nan 0.000 0.436 356 I N -0.808 119.693 120.570 -0.116 0.000 2.865 356 I HA 0.078 4.248 4.170 -0.000 0.000 0.302 356 I C -0.281 175.820 176.117 -0.026 0.000 1.140 356 I CA -0.718 60.596 61.300 0.022 0.000 1.021 356 I CB 2.081 40.195 38.000 0.190 0.000 1.233 356 I HN 0.027 nan 8.210 nan 0.000 0.427 357 S N 4.944 120.646 115.700 0.004 0.000 2.645 357 S HA 0.235 4.705 4.470 -0.000 0.000 0.266 357 S C 0.996 175.588 174.600 -0.012 0.000 1.258 357 S CA -0.289 57.902 58.200 -0.016 0.000 0.990 357 S CB 0.909 64.109 63.200 0.000 0.000 0.967 357 S HN 0.733 nan 8.310 nan 0.000 0.556 358 L N 1.513 122.716 121.223 -0.034 0.000 2.083 358 L HA 0.014 4.354 4.340 -0.000 0.000 0.209 358 L C 2.576 179.471 176.870 0.042 0.000 1.083 358 L CA 2.243 57.062 54.840 -0.034 0.000 0.752 358 L CB -1.281 40.745 42.059 -0.054 0.000 0.899 358 L HN 0.967 nan 8.230 nan 0.000 0.433 359 T N -1.227 113.347 114.554 0.034 0.000 2.904 359 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 359 T C 1.807 176.526 174.700 0.032 0.000 1.059 359 T CA 1.362 63.487 62.100 0.041 0.000 1.137 359 T CB -0.006 68.880 68.868 0.031 0.000 0.879 359 T HN 0.499 nan 8.240 nan 0.000 0.467 360 Q N -0.454 119.369 119.800 0.039 0.000 2.172 360 Q HA -0.014 4.326 4.340 -0.000 0.000 0.200 360 Q C 1.909 177.929 176.000 0.033 0.000 0.964 360 Q CA 0.959 56.782 55.803 0.034 0.000 0.855 360 Q CB -0.242 28.527 28.738 0.053 0.000 0.918 360 Q HN 0.560 nan 8.270 nan 0.000 0.444 361 F N 1.054 120.940 119.950 -0.106 0.000 2.065 361 F HA -0.284 4.243 4.527 -0.000 0.000 0.298 361 F C 1.910 177.576 175.800 -0.223 0.000 1.112 361 F CA 1.446 59.347 58.000 -0.164 0.000 1.212 361 F CB -0.420 38.425 39.000 -0.257 0.000 0.975 361 F HN -0.197 nan 8.300 nan 0.000 0.476 362 V N 0.877 120.599 119.914 -0.320 0.000 2.343 362 V HA -0.304 3.816 4.120 -0.000 0.000 0.247 362 V C 2.443 178.385 176.094 -0.252 0.000 1.051 362 V CA 2.185 64.248 62.300 -0.395 0.000 1.036 362 V CB -0.913 30.821 31.823 -0.147 0.000 0.654 362 V HN 0.527 nan 8.190 nan 0.000 0.451 363 E N 0.332 120.449 120.200 -0.138 0.000 2.049 363 E HA -0.248 4.102 4.350 -0.000 0.000 0.198 363 E C 2.205 178.742 176.600 -0.105 0.000 1.007 363 E CA 1.861 58.208 56.400 -0.089 0.000 0.809 363 E CB -0.177 29.494 29.700 -0.049 0.000 0.749 363 E HN 0.585 nan 8.360 nan 0.000 0.450 364 L N 0.265 121.414 121.223 -0.123 0.000 2.072 364 L HA -0.109 4.231 4.340 -0.000 0.000 0.205 364 L C 2.608 179.381 176.870 -0.162 0.000 1.079 364 L CA 0.539 55.319 54.840 -0.099 0.000 0.752 364 L CB -0.214 41.809 42.059 -0.060 0.000 0.906 364 L HN 0.090 nan 8.230 nan 0.000 0.436 365 V N -0.826 118.880 119.914 -0.347 0.000 2.809 365 V HA -0.090 4.030 4.120 -0.000 0.000 0.256 365 V C 1.748 177.688 176.094 -0.257 0.000 1.080 365 V CA 1.629 63.686 62.300 -0.406 0.000 1.102 365 V CB 0.268 31.539 31.823 -0.921 0.000 0.705 365 V HN 0.536 nan 8.190 nan 0.000 0.475 366 A N -2.197 120.503 122.820 -0.201 0.000 1.535 366 A HA 0.067 4.387 4.320 -0.000 0.000 0.215 366 A C 1.927 179.500 177.584 -0.019 0.000 1.813 366 A CA 0.823 52.805 52.037 -0.093 0.000 1.373 366 A CB -0.188 18.753 19.000 -0.098 0.000 1.304 366 A HN 0.276 nan 8.150 nan 0.000 0.391 367 T N 0.184 114.723 114.554 -0.025 0.000 2.737 367 T HA -0.102 4.248 4.350 -0.000 0.000 0.265 367 T C 2.023 176.704 174.700 -0.030 0.000 1.038 367 T CA 1.669 63.784 62.100 0.026 0.000 1.144 367 T CB -0.221 68.661 68.868 0.023 0.000 0.866 367 T HN 0.411 nan 8.240 nan 0.000 0.434 368 R N 0.866 121.335 120.500 -0.051 0.000 2.075 368 R HA -0.049 4.291 4.340 -0.000 0.000 0.232 368 R C -0.768 175.530 176.300 -0.004 0.000 1.126 368 R CA 1.150 57.213 56.100 -0.061 0.000 0.963 368 R CB -0.848 29.431 30.300 -0.035 0.000 0.858 368 R HN 0.313 nan 8.270 nan 0.000 0.435 369 P HA -0.111 nan 4.420 nan 0.000 0.215 369 P C 0.835 178.260 177.300 0.209 0.000 1.157 369 P CA 1.940 65.162 63.100 0.203 0.000 0.868 369 P CB -0.070 31.735 31.700 0.176 0.000 0.788 370 A N -0.077 122.822 122.820 0.133 0.000 1.908 370 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 370 A C 2.118 179.781 177.584 0.131 0.000 1.181 370 A CA 2.019 54.146 52.037 0.151 0.000 0.627 370 A CB -1.171 17.939 19.000 0.183 0.000 0.818 370 A HN 0.137 nan 8.150 nan 0.000 0.445 371 K N -0.614 119.790 120.400 0.006 0.000 2.002 371 K HA -0.086 4.234 4.320 -0.000 0.000 0.209 371 K C 1.953 178.492 176.600 -0.101 0.000 1.048 371 K CA 1.536 57.746 56.287 -0.128 0.000 0.930 371 K CB -0.498 31.784 32.500 -0.364 0.000 0.714 371 K HN 0.297 nan 8.250 nan 0.000 0.438 372 V N 0.813 120.631 119.914 -0.159 0.000 2.255 372 V HA -0.222 3.898 4.120 -0.000 0.000 0.247 372 V C 1.584 177.397 176.094 -0.468 0.000 1.051 372 V CA 1.683 63.772 62.300 -0.351 0.000 1.018 372 V CB -0.480 31.026 31.823 -0.528 0.000 0.641 372 V HN 0.191 nan 8.190 nan 0.000 0.445 373 F N 0.965 120.893 119.950 -0.037 0.000 2.696 373 F HA 0.467 4.993 4.527 -0.000 0.000 0.296 373 F C 1.606 177.380 175.800 -0.043 0.000 1.181 373 F CA 0.237 58.203 58.000 -0.057 0.000 1.411 373 F CB -0.827 38.130 39.000 -0.072 0.000 1.014 373 F HN 0.242 nan 8.300 nan 0.000 0.512 374 G N 1.144 109.984 108.800 0.067 0.000 2.371 374 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.299 374 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.299 374 G C 0.532 175.467 174.900 0.059 0.000 1.014 374 G CA 0.510 45.649 45.100 0.064 0.000 1.097 374 G HN 0.507 nan 8.290 nan 0.000 0.512 375 M N -1.287 118.367 119.600 0.090 0.000 2.327 375 M HA 0.348 4.828 4.480 -0.000 0.000 0.365 375 M C 0.344 176.698 176.300 0.091 0.000 0.992 375 M CA -0.268 55.061 55.300 0.047 0.000 0.985 375 M CB 0.837 33.448 32.600 0.019 0.000 1.673 375 M HN 0.272 nan 8.290 nan 0.000 0.586 376 F N 3.691 123.629 119.950 -0.020 0.000 2.399 376 F HA 0.494 5.021 4.527 -0.000 0.000 0.334 376 F C -1.736 174.052 175.800 -0.021 0.000 1.097 376 F CA -1.685 56.305 58.000 -0.018 0.000 1.076 376 F CB 1.263 40.255 39.000 -0.014 0.000 1.162 376 F HN -0.102 nan 8.300 nan 0.000 0.495 377 P HA -0.005 nan 4.420 nan 0.000 0.262 377 P C 0.742 177.789 177.300 -0.423 0.000 1.304 377 P CA 0.330 62.784 63.100 -1.076 0.000 0.859 377 P CB 0.318 31.251 31.700 -1.279 0.000 1.310 378 Q N 0.592 120.254 119.800 -0.229 0.000 2.112 378 Q HA -0.119 4.221 4.340 -0.000 0.000 0.206 378 Q C 0.289 176.226 176.000 -0.105 0.000 0.987 378 Q CA 1.230 56.950 55.803 -0.139 0.000 0.858 378 Q CB 0.200 28.878 28.738 -0.100 0.000 0.905 378 Q HN 0.130 nan 8.270 nan 0.000 0.420 379 K N -2.251 118.106 120.400 -0.072 0.000 2.306 379 K HA 0.459 4.779 4.320 -0.000 0.000 0.236 379 K C 0.294 176.920 176.600 0.042 0.000 1.013 379 K CA 0.120 56.395 56.287 -0.020 0.000 0.857 379 K CB 1.691 34.184 32.500 -0.012 0.000 1.214 379 K HN 0.252 nan 8.250 nan 0.000 0.449 380 G N 0.042 108.883 108.800 0.068 0.000 2.784 380 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.204 380 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.204 380 G C 0.410 175.382 174.900 0.121 0.000 1.300 380 G CA 0.393 45.576 45.100 0.138 0.000 0.863 380 G HN 0.794 nan 8.290 nan 0.000 0.541 381 T N -1.261 113.357 114.554 0.107 0.000 2.708 381 T HA 0.786 5.136 4.350 -0.000 0.000 0.256 381 T C -0.106 174.629 174.700 0.058 0.000 0.946 381 T CA -0.307 61.852 62.100 0.098 0.000 1.039 381 T CB 1.877 70.825 68.868 0.132 0.000 1.557 381 T HN 0.733 nan 8.240 nan 0.000 0.576 382 I N 1.218 121.824 120.570 0.059 0.000 2.542 382 I HA 0.642 4.812 4.170 -0.000 0.000 0.278 382 I C -0.374 175.759 176.117 0.027 0.000 1.069 382 I CA -0.667 60.660 61.300 0.045 0.000 1.100 382 I CB 0.936 38.979 38.000 0.071 0.000 1.204 382 I HN 0.981 nan 8.210 nan 0.000 0.470 383 A N 4.683 127.501 122.820 -0.003 0.000 2.569 383 A HA 0.773 5.093 4.320 -0.000 0.000 0.290 383 A C -0.957 176.611 177.584 -0.027 0.000 1.136 383 A CA -0.565 51.464 52.037 -0.014 0.000 0.710 383 A CB 1.647 20.627 19.000 -0.033 0.000 1.303 383 A HN 0.160 nan 8.150 nan 0.000 0.413 384 V N 1.264 121.163 119.914 -0.025 0.000 2.479 384 V HA 0.461 4.581 4.120 -0.000 0.000 0.281 384 V C 1.397 177.464 176.094 -0.045 0.000 1.031 384 V CA 2.019 64.302 62.300 -0.028 0.000 1.038 384 V CB 0.082 31.893 31.823 -0.020 0.000 0.981 384 V HN 2.141 nan 8.190 nan 0.000 0.478 385 G N 3.879 112.651 108.800 -0.046 0.000 2.253 385 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.209 385 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.209 385 G C 0.384 175.240 174.900 -0.073 0.000 0.997 385 G CA 0.036 45.100 45.100 -0.060 0.000 0.640 385 G HN 0.678 nan 8.290 nan 0.000 0.496 386 S N 1.477 117.133 115.700 -0.072 0.000 2.585 386 S HA 0.460 4.930 4.470 -0.000 0.000 0.273 386 S C 0.053 174.622 174.600 -0.050 0.000 1.339 386 S CA -0.346 57.809 58.200 -0.075 0.000 1.028 386 S CB 0.993 64.157 63.200 -0.060 0.000 0.906 386 S HN 0.346 nan 8.310 nan 0.000 0.528 387 D N 1.374 121.744 120.400 -0.050 0.000 2.399 387 D HA 0.287 4.926 4.640 -0.000 0.000 0.241 387 D C 0.150 176.440 176.300 -0.018 0.000 1.133 387 D CA 0.043 54.021 54.000 -0.035 0.000 0.890 387 D CB 0.497 41.274 40.800 -0.039 0.000 1.201 387 D HN 0.572 nan 8.370 nan 0.000 0.432 388 A N 2.226 125.040 122.820 -0.009 0.000 3.077 388 A HA 0.112 4.432 4.320 -0.000 0.000 0.255 388 A C -0.517 177.077 177.584 0.016 0.000 1.728 388 A CA -0.387 51.652 52.037 0.005 0.000 1.383 388 A CB -0.466 18.536 19.000 0.004 0.000 1.097 388 A HN 0.249 nan 8.150 nan 0.000 0.634 389 D N 1.061 121.473 120.400 0.021 0.000 2.380 389 D HA 0.546 5.186 4.640 -0.000 0.000 0.230 389 D C -0.181 176.155 176.300 0.061 0.000 1.154 389 D CA 0.517 54.538 54.000 0.035 0.000 0.859 389 D CB 0.748 41.564 40.800 0.026 0.000 1.045 389 D HN 0.415 nan 8.370 nan 0.000 0.495 390 I N 1.085 121.699 120.570 0.074 0.000 2.828 390 I HA 0.443 4.613 4.170 -0.000 0.000 0.302 390 I C -0.744 175.455 176.117 0.138 0.000 1.101 390 I CA -1.201 60.163 61.300 0.106 0.000 1.031 390 I CB 2.567 40.616 38.000 0.082 0.000 1.231 390 I HN -0.092 nan 8.210 nan 0.000 0.427 391 V N 5.586 125.625 119.914 0.208 0.000 2.531 391 V HA 0.404 4.524 4.120 -0.000 0.000 0.301 391 V C -0.342 175.914 176.094 0.271 0.000 1.034 391 V CA -0.562 61.899 62.300 0.268 0.000 0.865 391 V CB 1.963 34.044 31.823 0.429 0.000 0.995 391 V HN 0.429 nan 8.190 nan 0.000 0.424 392 L N 4.572 125.901 121.223 0.177 0.000 2.259 392 L HA 0.394 4.734 4.340 -0.000 0.000 0.288 392 L C -0.475 176.479 176.870 0.139 0.000 1.051 392 L CA -0.092 54.818 54.840 0.116 0.000 0.824 392 L CB 0.795 42.878 42.059 0.039 0.000 1.206 392 L HN 0.628 nan 8.230 nan 0.000 0.429 393 W N 4.574 125.851 121.300 -0.037 0.000 2.390 393 W HA 0.164 4.824 4.660 -0.000 0.000 0.312 393 W C -0.391 176.063 176.519 -0.109 0.000 1.123 393 W CA -0.191 57.137 57.345 -0.028 0.000 1.202 393 W CB 1.776 31.280 29.460 0.073 0.000 1.251 393 W HN 0.441 nan 8.180 nan 0.000 0.511 394 D N 7.855 128.130 120.400 -0.208 0.000 2.467 394 D HA 0.149 4.789 4.640 -0.000 0.000 0.220 394 D C -1.218 175.061 176.300 -0.036 0.000 1.103 394 D CA -2.158 51.759 54.000 -0.139 0.000 0.886 394 D CB 1.608 42.300 40.800 -0.180 0.000 1.025 394 D HN 0.109 nan 8.370 nan 0.000 0.514 395 P HA -0.108 nan 4.420 nan 0.000 0.222 395 P C 0.624 178.036 177.300 0.185 0.000 1.147 395 P CA 0.810 64.080 63.100 0.283 0.000 0.790 395 P CB 0.734 32.575 31.700 0.236 0.000 0.780 396 E N -0.132 120.103 120.200 0.057 0.000 2.340 396 E HA 0.152 4.502 4.350 -0.000 0.000 0.194 396 E C 1.105 177.721 176.600 0.027 0.000 0.996 396 E CA -0.049 56.378 56.400 0.045 0.000 0.869 396 E CB -0.518 29.185 29.700 0.006 0.000 0.835 396 E HN 0.154 nan 8.360 nan 0.000 0.493 397 A N 1.975 124.788 122.820 -0.011 0.000 2.548 397 A HA 0.018 4.338 4.320 -0.000 0.000 0.247 397 A C 0.080 177.663 177.584 -0.002 0.000 1.067 397 A CA 0.413 52.429 52.037 -0.035 0.000 0.757 397 A CB -0.083 18.857 19.000 -0.101 0.000 0.996 397 A HN -0.027 nan 8.150 nan 0.000 0.504 398 E N 1.201 121.405 120.200 0.006 0.000 2.202 398 E HA 0.692 5.042 4.350 -0.000 0.000 0.272 398 E C -0.331 176.278 176.600 0.015 0.000 0.951 398 E CA -0.483 55.933 56.400 0.026 0.000 0.813 398 E CB 1.798 31.518 29.700 0.032 0.000 1.151 398 E HN 0.779 nan 8.360 nan 0.000 0.398 399 M N 1.442 121.058 119.600 0.028 0.000 2.605 399 M HA 0.299 4.779 4.480 -0.000 0.000 0.281 399 M C -2.151 174.175 176.300 0.045 0.000 1.166 399 M CA -0.692 54.623 55.300 0.024 0.000 0.875 399 M CB 1.748 34.351 32.600 0.005 0.000 1.732 399 M HN 0.339 nan 8.290 nan 0.000 0.504 400 V N 4.028 123.969 119.914 0.045 0.000 2.394 400 V HA 0.434 4.554 4.120 -0.000 0.000 0.282 400 V C 0.112 176.246 176.094 0.067 0.000 1.031 400 V CA -0.592 61.747 62.300 0.064 0.000 0.881 400 V CB 1.547 33.404 31.823 0.056 0.000 0.982 400 V HN 0.703 nan 8.190 nan 0.000 0.451 401 I N 5.278 125.905 120.570 0.095 0.000 2.505 401 I HA 0.208 4.378 4.170 -0.000 0.000 0.287 401 I C 0.307 176.476 176.117 0.087 0.000 1.104 401 I CA 0.389 61.742 61.300 0.089 0.000 1.387 401 I CB 0.211 38.276 38.000 0.109 0.000 1.404 401 I HN 0.693 nan 8.210 nan 0.000 0.528 402 E N 4.930 125.164 120.200 0.055 0.000 2.256 402 E HA 0.148 4.498 4.350 -0.000 0.000 0.268 402 E C -0.040 176.572 176.600 0.021 0.000 0.877 402 E CA -0.675 55.752 56.400 0.044 0.000 0.757 402 E CB 2.125 31.843 29.700 0.031 0.000 1.183 402 E HN 0.374 nan 8.360 nan 0.000 0.418 403 Q N 1.384 121.198 119.800 0.024 0.000 2.181 403 Q HA -0.164 4.176 4.340 -0.000 0.000 0.205 403 Q C 1.807 177.790 176.000 -0.028 0.000 0.980 403 Q CA 2.558 58.360 55.803 -0.001 0.000 0.862 403 Q CB -0.406 28.342 28.738 0.017 0.000 0.905 403 Q HN 0.777 nan 8.270 nan 0.000 0.429 404 T N -3.155 111.389 114.554 -0.017 0.000 2.977 404 T HA -0.001 4.349 4.350 -0.000 0.000 0.271 404 T C 1.473 176.126 174.700 -0.079 0.000 1.105 404 T CA 1.059 63.139 62.100 -0.034 0.000 1.116 404 T CB -0.237 68.624 68.868 -0.012 0.000 0.878 404 T HN 0.282 nan 8.240 nan 0.000 0.509 405 A N 0.208 122.976 122.820 -0.086 0.000 2.348 405 A HA 0.524 4.844 4.320 -0.000 0.000 0.224 405 A C 1.053 178.469 177.584 -0.279 0.000 1.227 405 A CA -0.394 51.560 52.037 -0.138 0.000 0.885 405 A CB -0.132 18.838 19.000 -0.050 0.000 0.933 405 A HN 0.350 nan 8.150 nan 0.000 0.506 406 M N -0.339 119.133 119.600 -0.214 0.000 2.114 406 M HA 0.246 4.726 4.480 -0.000 0.000 0.293 406 M C 0.078 176.120 176.300 -0.430 0.000 1.201 406 M CA 0.288 55.476 55.300 -0.186 0.000 1.107 406 M CB -0.483 32.092 32.600 -0.042 0.000 1.405 406 M HN 0.354 nan 8.290 nan 0.000 0.486 407 H N -1.105 117.947 119.070 -0.029 0.000 2.510 407 H HA 0.239 4.795 4.556 -0.000 0.000 0.266 407 H C -0.105 175.185 175.328 -0.064 0.000 1.146 407 H CA -0.659 55.364 56.048 -0.043 0.000 0.993 407 H CB -0.100 29.630 29.762 -0.053 0.000 1.727 407 H HN 0.498 nan 8.280 nan 0.000 0.590 408 N N -0.066 118.641 118.700 0.012 0.000 2.879 408 N HA 0.357 5.097 4.740 -0.000 0.000 0.329 408 N C 0.545 176.049 175.510 -0.011 0.000 1.337 408 N CA -0.416 52.630 53.050 -0.007 0.000 0.844 408 N CB 0.755 39.240 38.487 -0.002 0.000 1.236 408 N HN 0.007 nan 8.380 nan 0.000 0.601 409 A N -0.703 122.113 122.820 -0.007 0.000 2.415 409 A HA 0.277 4.597 4.320 -0.000 0.000 0.248 409 A C 0.527 178.116 177.584 0.009 0.000 1.299 409 A CA -0.254 51.784 52.037 0.002 0.000 0.899 409 A CB -0.436 18.568 19.000 0.006 0.000 0.997 409 A HN 0.491 nan 8.150 nan 0.000 0.506 410 M N 0.965 120.556 119.600 -0.014 0.000 2.227 410 M HA 0.150 4.630 4.480 -0.000 0.000 0.316 410 M C 0.461 176.772 176.300 0.018 0.000 1.144 410 M CA -0.290 54.995 55.300 -0.024 0.000 1.121 410 M CB 0.665 33.174 32.600 -0.152 0.000 1.440 410 M HN 0.470 nan 8.290 nan 0.000 0.473 411 D N 0.096 120.558 120.400 0.104 0.000 2.342 411 D HA 0.079 4.719 4.640 -0.000 0.000 0.221 411 D C -0.459 175.991 176.300 0.251 0.000 1.101 411 D CA 0.191 54.295 54.000 0.174 0.000 0.837 411 D CB -0.252 40.684 40.800 0.227 0.000 0.938 411 D HN 0.566 nan 8.370 nan 0.000 0.508 412 Y N -2.315 117.991 120.300 0.009 0.000 2.702 412 Y HA 0.553 5.103 4.550 -0.000 0.000 0.336 412 Y C -1.750 174.114 175.900 -0.060 0.000 1.203 412 Y CA -1.444 56.629 58.100 -0.046 0.000 1.072 412 Y CB 0.839 39.224 38.460 -0.124 0.000 1.327 412 Y HN -0.166 nan 8.280 nan 0.000 0.456 413 S N 0.355 116.031 115.700 -0.040 0.000 2.513 413 S HA 0.504 4.974 4.470 -0.000 0.000 0.299 413 S C 0.022 174.582 174.600 -0.066 0.000 1.087 413 S CA -0.148 57.974 58.200 -0.130 0.000 1.012 413 S CB 1.520 64.720 63.200 0.000 0.000 1.044 413 S HN 0.779 nan 8.310 nan 0.000 0.485 414 S N 2.810 118.339 115.700 -0.284 0.000 2.481 414 S HA 0.029 4.499 4.470 -0.000 0.000 0.231 414 S C -0.015 174.196 174.600 -0.648 0.000 0.996 414 S CA 0.854 58.783 58.200 -0.452 0.000 0.942 414 S CB -0.306 62.423 63.200 -0.786 0.000 0.768 414 S HN 0.801 nan 8.310 nan 0.000 0.520 415 Y N 1.043 121.318 120.300 -0.042 0.000 2.720 415 Y HA 0.452 5.002 4.550 -0.000 0.000 0.268 415 Y C 0.273 176.190 175.900 0.028 0.000 1.142 415 Y CA -1.383 56.578 58.100 -0.231 0.000 1.193 415 Y CB -0.253 37.944 38.460 -0.439 0.000 1.176 415 Y HN 0.025 nan 8.280 nan 0.000 0.542 416 E N 1.025 121.329 120.200 0.173 0.000 2.480 416 E HA 0.333 4.683 4.350 -0.000 0.000 0.258 416 E C 1.345 178.092 176.600 0.244 0.000 0.984 416 E CA 1.344 57.851 56.400 0.178 0.000 0.930 416 E CB 0.162 29.941 29.700 0.132 0.000 0.936 416 E HN 0.608 nan 8.360 nan 0.000 0.466 417 G N 4.319 113.238 108.800 0.198 0.000 2.234 417 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.235 417 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.235 417 G C -0.012 174.993 174.900 0.175 0.000 0.997 417 G CA 0.202 45.399 45.100 0.161 0.000 0.623 417 G HN 0.725 nan 8.290 nan 0.000 0.514 418 H N 1.663 120.787 119.070 0.090 0.000 2.886 418 H HA 0.270 4.826 4.556 -0.000 0.000 0.329 418 H C 0.313 175.675 175.328 0.057 0.000 1.044 418 H CA 0.344 56.438 56.048 0.076 0.000 1.456 418 H CB 0.589 30.393 29.762 0.069 0.000 1.464 418 H HN 0.231 nan 8.280 nan 0.000 0.573 419 K N 3.143 123.619 120.400 0.127 0.000 2.227 419 K HA 0.293 4.613 4.320 -0.000 0.000 0.280 419 K C -0.220 176.447 176.600 0.112 0.000 1.041 419 K CA -0.522 55.822 56.287 0.096 0.000 0.905 419 K CB 1.454 33.990 32.500 0.061 0.000 1.068 419 K HN 0.343 nan 8.250 nan 0.000 0.470 420 V N -0.503 119.474 119.914 0.105 0.000 3.001 420 V HA 0.573 4.693 4.120 -0.000 0.000 0.314 420 V C -0.909 175.262 176.094 0.128 0.000 1.099 420 V CA -1.043 61.334 62.300 0.128 0.000 0.989 420 V CB 1.903 33.803 31.823 0.129 0.000 1.040 420 V HN 0.743 nan 8.190 nan 0.000 0.434 421 K N 1.747 122.261 120.400 0.189 0.000 2.535 421 K HA 0.685 5.005 4.320 -0.000 0.000 0.253 421 K C -0.335 176.482 176.600 0.362 0.000 0.953 421 K CA 0.239 56.648 56.287 0.203 0.000 0.863 421 K CB 1.163 33.770 32.500 0.179 0.000 1.111 421 K HN 2.087 nan 8.250 nan 0.000 0.431 422 G N 1.985 110.927 108.800 0.236 0.000 3.199 422 G HA2 -0.028 3.931 3.960 -0.000 0.000 0.680 422 G HA3 -0.028 3.931 3.960 -0.000 0.000 0.680 422 G C -1.509 173.265 174.900 -0.211 0.000 1.197 422 G CA -0.731 44.523 45.100 0.257 0.000 1.143 422 G HN 0.417 nan 8.290 nan 0.000 0.492 423 V N 4.081 123.531 119.914 -0.775 0.000 2.823 423 V HA 0.725 4.845 4.120 -0.000 0.000 0.312 423 V C -2.121 173.162 176.094 -1.352 0.000 1.072 423 V CA -1.939 59.800 62.300 -0.935 0.000 0.937 423 V CB 2.726 34.303 31.823 -0.409 0.000 1.013 423 V HN 0.567 nan 8.190 nan 0.000 0.430 424 P HA 0.320 nan 4.420 nan 0.000 0.276 424 P C -0.110 176.985 177.300 -0.340 0.000 1.235 424 P CA -0.224 62.483 63.100 -0.656 0.000 0.772 424 P CB 0.993 32.512 31.700 -0.301 0.000 0.871 425 K N 0.748 121.025 120.400 -0.206 0.000 2.266 425 K HA 0.163 4.483 4.320 -0.000 0.000 0.209 425 K C 0.739 177.297 176.600 -0.069 0.000 1.065 425 K CA 1.242 57.449 56.287 -0.133 0.000 0.946 425 K CB -0.214 32.213 32.500 -0.121 0.000 1.069 425 K HN 0.564 nan 8.250 nan 0.000 0.472 426 T N -0.881 113.654 114.554 -0.032 0.000 2.893 426 T HA 0.641 4.991 4.350 -0.000 0.000 0.293 426 T C -0.593 174.121 174.700 0.022 0.000 1.027 426 T CA -0.764 61.328 62.100 -0.013 0.000 0.988 426 T CB 1.927 70.786 68.868 -0.016 0.000 1.043 426 T HN -0.203 nan 8.240 nan 0.000 0.461 427 V N 3.294 123.223 119.914 0.025 0.000 2.680 427 V HA 0.679 4.799 4.120 -0.000 0.000 0.309 427 V C -0.920 175.197 176.094 0.039 0.000 1.052 427 V CA -0.916 61.416 62.300 0.053 0.000 0.908 427 V CB 1.603 33.466 31.823 0.066 0.000 1.001 427 V HN 0.858 nan 8.190 nan 0.000 0.431 428 L N 4.651 125.903 121.223 0.048 0.000 2.365 428 L HA 0.629 4.969 4.340 -0.000 0.000 0.273 428 L C -0.736 176.157 176.870 0.039 0.000 1.000 428 L CA -0.344 54.516 54.840 0.033 0.000 0.819 428 L CB 1.717 43.792 42.059 0.027 0.000 1.284 428 L HN 0.551 nan 8.230 nan 0.000 0.418 429 L N 4.050 125.291 121.223 0.031 0.000 2.316 429 L HA 0.541 4.881 4.340 -0.000 0.000 0.280 429 L C 0.422 177.300 176.870 0.014 0.000 1.006 429 L CA -0.010 54.848 54.840 0.030 0.000 0.836 429 L CB 0.455 42.541 42.059 0.044 0.000 1.221 429 L HN 0.572 nan 8.230 nan 0.000 0.418 430 R N 4.483 124.986 120.500 0.005 0.000 3.322 430 R HA -0.237 4.103 4.340 -0.000 0.000 0.253 430 R C 1.081 177.380 176.300 -0.003 0.000 0.987 430 R CA 0.817 56.914 56.100 -0.005 0.000 0.666 430 R CB -1.595 28.697 30.300 -0.013 0.000 1.072 430 R HN 1.279 nan 8.270 nan 0.000 0.447 431 G N -0.524 108.277 108.800 0.002 0.000 2.299 431 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.237 431 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.237 431 G C 0.125 175.024 174.900 -0.002 0.000 1.027 431 G CA 0.520 45.620 45.100 -0.001 0.000 0.619 431 G HN 0.429 nan 8.290 nan 0.000 0.513 432 K N 1.112 121.511 120.400 -0.002 0.000 2.205 432 K HA 0.559 4.879 4.320 -0.000 0.000 0.279 432 K C 0.264 176.858 176.600 -0.011 0.000 1.027 432 K CA -0.551 55.731 56.287 -0.009 0.000 0.932 432 K CB 1.124 33.618 32.500 -0.009 0.000 1.032 432 K HN 0.037 nan 8.250 nan 0.000 0.466 433 V N 7.483 127.383 119.914 -0.025 0.000 2.439 433 V HA 0.033 4.153 4.120 -0.000 0.000 0.271 433 V C 1.119 177.175 176.094 -0.064 0.000 1.040 433 V CA 0.087 62.368 62.300 -0.032 0.000 1.002 433 V CB 0.334 32.135 31.823 -0.038 0.000 1.000 433 V HN 0.794 nan 8.190 nan 0.000 0.477 434 I N 2.970 123.509 120.570 -0.051 0.000 4.035 434 I HA 0.374 4.544 4.170 -0.000 0.000 0.321 434 I C 0.073 176.104 176.117 -0.144 0.000 1.289 434 I CA 0.310 61.544 61.300 -0.110 0.000 1.236 434 I CB 0.820 38.839 38.000 0.032 0.000 1.076 434 I HN 0.320 nan 8.210 nan 0.000 0.418 435 V N 2.394 122.279 119.914 -0.049 0.000 2.569 435 V HA 0.447 4.567 4.120 -0.000 0.000 0.301 435 V C -1.477 174.592 176.094 -0.043 0.000 1.044 435 V CA -0.455 61.827 62.300 -0.031 0.000 0.874 435 V CB 1.919 33.752 31.823 0.016 0.000 1.002 435 V HN 0.141 nan 8.190 nan 0.000 0.424 436 D N 3.842 124.209 120.400 -0.054 0.000 2.408 436 D HA 0.291 4.931 4.640 -0.000 0.000 0.243 436 D C 0.328 176.606 176.300 -0.037 0.000 1.075 436 D CA -0.250 53.723 54.000 -0.045 0.000 0.832 436 D CB 1.539 42.309 40.800 -0.051 0.000 1.162 436 D HN 0.598 nan 8.370 nan 0.000 0.515 437 E N 2.401 122.578 120.200 -0.037 0.000 2.257 437 E HA -0.253 4.097 4.350 -0.000 0.000 0.224 437 E C 0.931 177.510 176.600 -0.034 0.000 1.286 437 E CA 1.250 57.627 56.400 -0.039 0.000 0.716 437 E CB -1.443 28.238 29.700 -0.032 0.000 1.159 437 E HN 0.968 nan 8.360 nan 0.000 0.367 438 G N -1.490 107.286 108.800 -0.040 0.000 2.194 438 G HA2 -0.291 3.668 3.960 -0.000 0.000 0.236 438 G HA3 -0.291 3.668 3.960 -0.000 0.000 0.236 438 G C 0.267 175.167 174.900 0.000 0.000 0.987 438 G CA 0.239 45.323 45.100 -0.027 0.000 0.635 438 G HN 0.379 nan 8.290 nan 0.000 0.520 439 S N 0.188 115.888 115.700 -0.000 0.000 2.437 439 S HA 0.553 5.023 4.470 -0.000 0.000 0.305 439 S C -0.464 174.145 174.600 0.015 0.000 1.109 439 S CA -0.588 57.630 58.200 0.030 0.000 1.099 439 S CB 1.485 64.698 63.200 0.022 0.000 1.004 439 S HN 0.545 nan 8.310 nan 0.000 0.475 440 Y N 4.069 124.336 120.300 -0.055 0.000 2.544 440 Y HA 0.268 4.818 4.550 -0.000 0.000 0.330 440 Y C 0.734 176.623 175.900 -0.017 0.000 1.136 440 Y CA -0.132 57.936 58.100 -0.054 0.000 1.417 440 Y CB 0.363 38.796 38.460 -0.045 0.000 1.229 440 Y HN 0.422 nan 8.280 nan 0.000 0.532 441 V N 3.950 123.410 119.914 -0.757 0.000 3.017 441 V HA 0.611 4.731 4.120 -0.000 0.000 0.354 441 V C 0.523 176.240 176.094 -0.630 0.000 1.389 441 V CA 0.246 62.228 62.300 -0.531 0.000 1.163 441 V CB -0.218 31.455 31.823 -0.250 0.000 1.178 441 V HN 0.898 nan 8.190 nan 0.000 0.547 442 G N 0.161 108.216 108.800 -1.242 0.000 2.642 442 G HA2 0.716 4.676 3.960 -0.000 0.000 0.291 442 G HA3 0.716 4.676 3.960 -0.000 0.000 0.291 442 G C -0.896 173.904 174.900 -0.166 0.000 1.345 442 G CA -0.547 44.219 45.100 -0.557 0.000 1.043 442 G HN 0.320 nan 8.290 nan 0.000 0.528 443 E N 0.171 120.413 120.200 0.071 0.000 2.238 443 E HA 0.230 4.580 4.350 -0.000 0.000 0.267 443 E C -1.951 174.759 176.600 0.183 0.000 0.887 443 E CA -1.701 54.774 56.400 0.125 0.000 0.769 443 E CB 2.999 32.734 29.700 0.059 0.000 1.187 443 E HN 0.192 nan 8.360 nan 0.000 0.416 444 P HA -0.112 nan 4.420 nan 0.000 0.236 444 P C 0.969 178.333 177.300 0.107 0.000 1.172 444 P CA 1.032 64.210 63.100 0.129 0.000 0.759 444 P CB 0.265 32.020 31.700 0.090 0.000 0.843 445 T N -1.689 112.922 114.554 0.095 0.000 3.086 445 T HA 0.049 4.399 4.350 -0.000 0.000 0.250 445 T C 1.185 175.934 174.700 0.081 0.000 1.074 445 T CA 0.190 62.337 62.100 0.077 0.000 0.988 445 T CB -0.380 68.519 68.868 0.053 0.000 0.988 445 T HN -0.096 nan 8.240 nan 0.000 0.530 446 D N 1.485 121.944 120.400 0.097 0.000 2.117 446 D HA 0.052 4.692 4.640 -0.000 0.000 0.198 446 D C 1.344 177.697 176.300 0.088 0.000 0.982 446 D CA 0.602 54.653 54.000 0.084 0.000 0.828 446 D CB -0.700 40.157 40.800 0.094 0.000 0.967 446 D HN 0.506 nan 8.370 nan 0.000 0.464 447 G N 1.150 110.033 108.800 0.138 0.000 2.380 447 G HA2 0.213 4.173 3.960 -0.000 0.000 0.242 447 G HA3 0.213 4.173 3.960 -0.000 0.000 0.242 447 G C 0.120 175.087 174.900 0.113 0.000 1.298 447 G CA -0.078 45.119 45.100 0.162 0.000 0.878 447 G HN -0.144 nan 8.290 nan 0.000 0.542 448 K N 1.088 121.436 120.400 -0.087 0.000 2.385 448 K HA 0.373 4.693 4.320 -0.000 0.000 0.248 448 K C -0.782 175.398 176.600 -0.699 0.000 0.955 448 K CA -1.085 55.066 56.287 -0.226 0.000 0.816 448 K CB 2.177 34.602 32.500 -0.125 0.000 1.250 448 K HN 0.413 nan 8.250 nan 0.000 0.434 449 F N 1.657 121.106 119.950 -0.835 0.000 2.459 449 F HA 0.297 4.824 4.527 -0.000 0.000 0.346 449 F C -0.433 175.058 175.800 -0.515 0.000 1.128 449 F CA -0.296 57.126 58.000 -0.964 0.000 1.268 449 F CB 0.474 39.187 39.000 -0.478 0.000 1.161 449 F HN 0.283 nan 8.300 nan 0.000 0.583 450 L N 6.004 126.324 121.223 -1.505 0.000 2.319 450 L HA 0.362 4.702 4.340 -0.000 0.000 0.281 450 L C -0.508 175.737 176.870 -1.043 0.000 1.005 450 L CA -0.802 53.471 54.840 -0.946 0.000 0.828 450 L CB 1.552 43.240 42.059 -0.619 0.000 1.227 450 L HN 0.535 nan 8.230 nan 0.000 0.415 451 K N 4.682 124.805 120.400 -0.461 0.000 2.278 451 K HA 0.278 4.598 4.320 -0.000 0.000 0.289 451 K C -0.279 176.227 176.600 -0.156 0.000 1.080 451 K CA -0.311 55.877 56.287 -0.165 0.000 0.934 451 K CB 0.482 33.000 32.500 0.030 0.000 1.093 451 K HN 0.461 nan 8.250 nan 0.000 0.459 452 R N 2.024 122.431 120.500 -0.155 0.000 2.582 452 R HA 0.199 4.539 4.340 -0.000 0.000 0.271 452 R C 0.450 176.745 176.300 -0.009 0.000 1.078 452 R CA -0.527 55.523 56.100 -0.084 0.000 1.127 452 R CB 0.752 31.004 30.300 -0.079 0.000 1.038 452 R HN 0.422 nan 8.270 nan 0.000 0.500 453 R N 1.358 121.863 120.500 0.008 0.000 2.637 453 R HA 0.083 4.423 4.340 -0.000 0.000 0.269 453 R C 0.404 176.729 176.300 0.042 0.000 1.089 453 R CA -0.031 56.087 56.100 0.030 0.000 1.177 453 R CB 0.734 31.054 30.300 0.033 0.000 1.091 453 R HN 0.469 nan 8.270 nan 0.000 0.540 454 K N 0.904 121.337 120.400 0.055 0.000 3.018 454 K HA -0.075 4.245 4.320 -0.000 0.000 0.341 454 K C -0.322 176.332 176.600 0.089 0.000 1.018 454 K CA -0.103 56.220 56.287 0.060 0.000 1.146 454 K CB -0.198 32.352 32.500 0.084 0.000 1.160 454 K HN 0.486 nan 8.250 nan 0.000 0.471 455 Y N 2.248 122.522 120.300 -0.043 0.000 3.059 455 Y HA -0.304 4.246 4.550 -0.000 0.000 0.220 455 Y C -0.699 175.153 175.900 -0.079 0.000 1.145 455 Y CA 0.758 58.825 58.100 -0.055 0.000 0.774 455 Y CB -1.065 37.373 38.460 -0.036 0.000 1.170 455 Y HN 0.183 nan 8.280 nan 0.000 0.373 456 K N 3.571 123.934 120.400 -0.062 0.000 2.118 456 K HA 0.539 4.859 4.320 -0.000 0.000 0.264 456 K C -0.001 176.531 176.600 -0.114 0.000 1.000 456 K CA -0.639 55.587 56.287 -0.102 0.000 0.929 456 K CB 1.725 34.090 32.500 -0.226 0.000 1.021 456 K HN 0.643 nan 8.250 nan 0.000 0.463 457 Q N 0.000 119.748 119.800 -0.086 0.000 2.315 457 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 457 Q CA 0.000 55.775 55.803 -0.046 0.000 1.022 457 Q CB 0.000 28.776 28.738 0.064 0.000 1.108 457 Q HN 0.000 nan 8.270 nan 0.000 0.481