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 2j6l_1_G DATA FIRST_RESID 4 DATA SEQUENCE TLLINQPQYA WLKELGLREE NEGVYNGSWG GRGEVITTYC PANNEPIARV DATA SEQUENCE RQASVADYEE TVKKAREAWK IWADIPAPKR GEIVRQIGDA LREKIQVLGS DATA SEQUENCE LVSLEMGKIL VEGVGEVQEY VDICDYAVGL SRMIGGPILP SERSGHALIE DATA SEQUENCE QWNPVGLVGI ITAFNFPVAV YGWNNAIAMI CGNVCLWKGA PTTSLISVAV DATA SEQUENCE TKIIAKVLED NKLPGAICSL TCGGADIGTA MAKDERVNLL SFTGSTQVGK DATA SEQUENCE QVGLMVQERF GRSLLELGGN NAIIAFEDAD LSLVVPSALF AAVGTAGQRC DATA SEQUENCE TTARRLFIHE SIHDEVVNRL KKAYAQIRVG NPWDPNVLYG PLHTKQAVSM DATA SEQUENCE FLGAVEEAKK EGGTVVYGGK VMDRPGNYVE PTIVTGLGHD ASIAHTETFA DATA SEQUENCE PILYVFKFQN EEEVFAWNNE VKQGLSSSIF TKDLGRIFRW LGPKGSDCGI DATA SEQUENCE VNVNIPTSGA EIGGAFGGEK HTGGGRESGS DAWKQYMRRS TCTINYS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.662 174.700 -0.063 0.000 1.109 4 T CA 0.000 62.080 62.100 -0.034 0.000 1.349 4 T CB 0.000 68.855 68.868 -0.022 0.000 0.612 5 L N 3.287 124.454 121.223 -0.093 0.000 2.453 5 L HA 0.265 4.605 4.340 -0.000 0.000 0.272 5 L C 2.110 178.894 176.870 -0.142 0.000 1.182 5 L CA -0.790 53.963 54.840 -0.146 0.000 0.858 5 L CB 0.292 42.257 42.059 -0.157 0.000 1.120 5 L HN 0.685 nan 8.230 nan 0.000 0.474 6 L N 3.205 124.301 121.223 -0.211 0.000 2.081 6 L HA -0.256 4.084 4.340 -0.000 0.000 0.212 6 L C 2.225 178.977 176.870 -0.196 0.000 1.080 6 L CA 1.512 56.199 54.840 -0.254 0.000 0.754 6 L CB -0.303 41.380 42.059 -0.627 0.000 0.893 6 L HN 0.695 nan 8.230 nan 0.000 0.433 7 I N 0.216 120.636 120.570 -0.250 0.000 2.700 7 I HA -0.245 3.925 4.170 -0.000 0.000 0.261 7 I C 1.563 177.592 176.117 -0.147 0.000 1.219 7 I CA 0.999 62.161 61.300 -0.231 0.000 1.463 7 I CB -0.097 37.756 38.000 -0.245 0.000 1.092 7 I HN 0.325 nan 8.210 nan 0.000 0.452 8 N N 0.823 119.460 118.700 -0.106 0.000 2.280 8 N HA 0.067 4.807 4.740 -0.000 0.000 0.192 8 N C -0.317 175.168 175.510 -0.041 0.000 1.109 8 N CA 0.229 53.235 53.050 -0.073 0.000 0.855 8 N CB 0.236 38.682 38.487 -0.067 0.000 0.974 8 N HN 0.508 nan 8.380 nan 0.000 0.482 9 Q N 0.324 120.119 119.800 -0.009 0.000 2.257 9 Q HA 0.249 4.589 4.340 -0.000 0.000 0.255 9 Q C -1.689 174.300 176.000 -0.018 0.000 0.920 9 Q CA -1.791 54.025 55.803 0.021 0.000 0.927 9 Q CB 1.525 30.331 28.738 0.114 0.000 1.229 9 Q HN -0.029 nan 8.270 nan 0.000 0.433 10 P HA -0.282 nan 4.420 nan 0.000 0.217 10 P C 1.014 178.262 177.300 -0.088 0.000 1.148 10 P CA 1.413 64.480 63.100 -0.054 0.000 0.828 10 P CB 0.156 31.833 31.700 -0.038 0.000 0.783 11 Q N -1.889 117.817 119.800 -0.157 0.000 2.437 11 Q HA -0.154 4.186 4.340 -0.000 0.000 0.210 11 Q C 0.449 176.202 176.000 -0.412 0.000 0.972 11 Q CA 1.306 56.943 55.803 -0.277 0.000 0.903 11 Q CB -0.640 27.863 28.738 -0.391 0.000 0.967 11 Q HN 0.309 nan 8.270 nan 0.000 0.486 12 Y N -0.439 119.765 120.300 -0.160 0.000 2.681 12 Y HA 0.507 5.057 4.550 -0.000 0.000 0.267 12 Y C 1.749 177.230 175.900 -0.699 0.000 1.166 12 Y CA -0.290 57.493 58.100 -0.528 0.000 1.209 12 Y CB 0.350 38.494 38.460 -0.527 0.000 1.161 12 Y HN 0.218 nan 8.280 nan 0.000 0.534 13 A N 0.965 123.645 122.820 -0.235 0.000 2.070 13 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 13 A C 1.885 179.388 177.584 -0.135 0.000 1.159 13 A CA 1.316 53.256 52.037 -0.161 0.000 0.656 13 A CB -0.999 17.969 19.000 -0.052 0.000 0.800 13 A HN 0.810 nan 8.150 nan 0.000 0.453 14 W N -0.235 121.052 121.300 -0.022 0.000 2.387 14 W HA -0.132 4.528 4.660 -0.000 0.000 0.272 14 W C 1.086 177.587 176.519 -0.029 0.000 1.224 14 W CA 0.720 58.049 57.345 -0.026 0.000 1.210 14 W CB -1.094 28.349 29.460 -0.029 0.000 1.125 14 W HN 0.256 nan 8.180 nan 0.000 0.572 15 L N 1.579 122.471 121.223 -0.551 0.000 2.127 15 L HA -0.195 4.145 4.340 -0.000 0.000 0.211 15 L C 2.645 179.418 176.870 -0.162 0.000 1.089 15 L CA 1.658 56.233 54.840 -0.442 0.000 0.757 15 L CB -0.632 41.028 42.059 -0.666 0.000 0.899 15 L HN -0.083 nan 8.230 nan 0.000 0.434 16 K N -0.057 120.260 120.400 -0.138 0.000 2.362 16 K HA -0.150 4.169 4.320 -0.000 0.000 0.200 16 K C 1.718 178.297 176.600 -0.037 0.000 1.046 16 K CA 0.860 57.092 56.287 -0.092 0.000 0.952 16 K CB -0.077 32.372 32.500 -0.085 0.000 0.753 16 K HN 0.421 nan 8.250 nan 0.000 0.466 17 E N 0.759 120.972 120.200 0.022 0.000 2.265 17 E HA -0.122 4.228 4.350 -0.000 0.000 0.196 17 E C 1.267 177.884 176.600 0.029 0.000 0.996 17 E CA 0.670 57.096 56.400 0.044 0.000 0.832 17 E CB 0.005 29.764 29.700 0.097 0.000 0.756 17 E HN 0.279 nan 8.360 nan 0.000 0.491 18 L N -0.425 120.813 121.223 0.024 0.000 2.611 18 L HA 0.189 4.529 4.340 -0.000 0.000 0.229 18 L C 1.222 178.060 176.870 -0.053 0.000 1.137 18 L CA 0.156 55.000 54.840 0.007 0.000 0.901 18 L CB 0.258 42.340 42.059 0.038 0.000 1.098 18 L HN 0.224 nan 8.230 nan 0.000 0.456 19 G N 0.386 109.140 108.800 -0.077 0.000 2.148 19 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.254 19 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.254 19 G C 0.193 174.992 174.900 -0.168 0.000 0.981 19 G CA -0.093 44.930 45.100 -0.128 0.000 0.670 19 G HN 0.238 nan 8.290 nan 0.000 0.528 20 L N 0.071 121.207 121.223 -0.146 0.000 2.399 20 L HA 0.750 5.090 4.340 -0.000 0.000 0.266 20 L C 1.131 177.904 176.870 -0.162 0.000 1.114 20 L CA -0.662 54.079 54.840 -0.165 0.000 0.804 20 L CB 1.040 43.004 42.059 -0.159 0.000 1.146 20 L HN 0.574 nan 8.230 nan 0.000 0.451 21 R N 0.461 120.864 120.500 -0.161 0.000 2.962 21 R HA 0.313 4.653 4.340 -0.000 0.000 0.256 21 R C 0.529 176.744 176.300 -0.141 0.000 1.199 21 R CA -0.809 55.205 56.100 -0.144 0.000 1.012 21 R CB 0.852 31.074 30.300 -0.130 0.000 1.289 21 R HN 0.569 nan 8.270 nan 0.000 0.462 22 E N 0.305 120.430 120.200 -0.123 0.000 2.085 22 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 22 E C -0.287 176.245 176.600 -0.114 0.000 0.994 22 E CA 1.456 57.785 56.400 -0.120 0.000 0.801 22 E CB 0.239 29.880 29.700 -0.099 0.000 0.743 22 E HN 0.507 nan 8.360 nan 0.000 0.453 23 E N 0.119 120.258 120.200 -0.100 0.000 2.224 23 E HA 0.252 4.602 4.350 -0.000 0.000 0.265 23 E C -1.486 175.059 176.600 -0.091 0.000 0.878 23 E CA -0.766 55.581 56.400 -0.087 0.000 0.759 23 E CB 1.035 30.696 29.700 -0.066 0.000 1.164 23 E HN 0.110 nan 8.360 nan 0.000 0.414 24 N N 3.088 121.736 118.700 -0.087 0.000 2.269 24 N HA 0.215 4.955 4.740 -0.000 0.000 0.304 24 N C -1.195 174.291 175.510 -0.040 0.000 1.072 24 N CA -0.729 52.261 53.050 -0.100 0.000 0.802 24 N CB 1.779 40.192 38.487 -0.123 0.000 1.348 24 N HN 0.444 nan 8.380 nan 0.000 0.484 25 E N 0.082 120.271 120.200 -0.019 0.000 2.324 25 E HA 0.242 4.592 4.350 -0.000 0.000 0.271 25 E C 0.941 177.692 176.600 0.251 0.000 1.028 25 E CA -0.002 56.479 56.400 0.136 0.000 0.890 25 E CB 0.554 30.407 29.700 0.254 0.000 1.004 25 E HN 0.761 nan 8.360 nan 0.000 0.431 26 G N 2.045 110.959 108.800 0.190 0.000 3.393 26 G HA2 0.192 4.152 3.960 -0.000 0.000 0.255 26 G HA3 0.192 4.152 3.960 -0.000 0.000 0.255 26 G C -0.346 174.633 174.900 0.132 0.000 1.097 26 G CA -0.175 45.017 45.100 0.153 0.000 0.780 26 G HN 0.318 nan 8.290 nan 0.000 0.540 27 V N 0.594 120.609 119.914 0.169 0.000 2.487 27 V HA 0.539 4.659 4.120 -0.000 0.000 0.298 27 V C -1.370 174.699 176.094 -0.041 0.000 1.028 27 V CA -1.050 61.283 62.300 0.056 0.000 0.860 27 V CB 1.534 33.379 31.823 0.038 0.000 0.991 27 V HN 0.244 nan 8.190 nan 0.000 0.427 28 Y N 5.212 125.278 120.300 -0.391 0.000 2.386 28 Y HA 0.605 5.155 4.550 -0.000 0.000 0.334 28 Y C 0.003 175.657 175.900 -0.411 0.000 1.002 28 Y CA -1.091 56.562 58.100 -0.745 0.000 1.068 28 Y CB 2.035 39.669 38.460 -1.376 0.000 1.203 28 Y HN 0.745 nan 8.280 nan 0.000 0.443 29 N N 2.636 120.713 118.700 -1.039 0.000 2.471 29 N HA 0.373 5.113 4.740 -0.000 0.000 0.270 29 N C 0.494 175.534 175.510 -0.784 0.000 1.490 29 N CA 0.122 52.724 53.050 -0.746 0.000 0.850 29 N CB 1.022 39.289 38.487 -0.367 0.000 1.411 29 N HN 0.979 nan 8.380 nan 0.000 0.488 30 G N -0.419 107.567 108.800 -1.357 0.000 2.339 30 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.209 30 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.209 30 G C -0.034 174.647 174.900 -0.364 0.000 1.015 30 G CA 0.166 44.876 45.100 -0.650 0.000 0.635 30 G HN 1.082 nan 8.290 nan 0.000 0.499 31 S N -1.133 114.330 115.700 -0.395 0.000 2.661 31 S HA 0.760 5.230 4.470 -0.000 0.000 0.285 31 S C -1.150 173.393 174.600 -0.095 0.000 1.138 31 S CA -0.881 57.284 58.200 -0.059 0.000 0.855 31 S CB 1.787 65.012 63.200 0.041 0.000 1.136 31 S HN 0.566 nan 8.310 nan 0.000 0.484 32 W N -0.157 121.225 121.300 0.138 0.000 2.496 32 W HA 0.740 5.400 4.660 -0.000 0.000 0.327 32 W C 0.724 177.281 176.519 0.063 0.000 1.086 32 W CA 0.370 57.802 57.345 0.145 0.000 1.222 32 W CB 1.869 31.411 29.460 0.136 0.000 1.304 32 W HN 1.214 nan 8.180 nan 0.000 0.547 33 G N -0.204 108.769 108.800 0.289 0.000 2.588 33 G HA2 0.590 4.550 3.960 -0.000 0.000 0.281 33 G HA3 0.590 4.550 3.960 -0.000 0.000 0.281 33 G C -0.626 174.360 174.900 0.143 0.000 1.223 33 G CA -0.157 45.044 45.100 0.169 0.000 0.871 33 G HN 1.140 nan 8.290 nan 0.000 0.492 34 G N -0.945 107.907 108.800 0.087 0.000 2.588 34 G HA2 0.274 4.234 3.960 -0.000 0.000 0.239 34 G HA3 0.274 4.234 3.960 -0.000 0.000 0.239 34 G C -0.197 174.731 174.900 0.047 0.000 1.275 34 G CA -0.260 44.880 45.100 0.067 0.000 1.181 34 G HN 0.636 nan 8.290 nan 0.000 0.595 35 R N 0.658 121.182 120.500 0.039 0.000 2.472 35 R HA 0.282 4.622 4.340 -0.000 0.000 0.279 35 R C 1.696 178.011 176.300 0.025 0.000 0.953 35 R CA 0.331 56.449 56.100 0.030 0.000 1.088 35 R CB 1.024 31.341 30.300 0.028 0.000 1.197 35 R HN 0.613 nan 8.270 nan 0.000 0.536 36 G N 0.533 109.349 108.800 0.026 0.000 2.494 36 G HA2 0.067 4.027 3.960 -0.000 0.000 0.270 36 G HA3 0.067 4.027 3.960 -0.000 0.000 0.270 36 G C -0.206 174.702 174.900 0.014 0.000 1.423 36 G CA -0.539 44.573 45.100 0.020 0.000 1.055 36 G HN 0.000 nan 8.290 nan 0.000 0.536 37 E N -0.490 119.716 120.200 0.009 0.000 2.384 37 E HA 0.159 4.509 4.350 -0.000 0.000 0.266 37 E C -0.018 176.584 176.600 0.003 0.000 1.012 37 E CA -0.142 56.261 56.400 0.005 0.000 0.901 37 E CB 1.518 31.221 29.700 0.004 0.000 0.967 37 E HN 0.050 nan 8.360 nan 0.000 0.435 38 V N 4.976 124.889 119.914 -0.000 0.000 2.455 38 V HA 0.153 4.273 4.120 -0.000 0.000 0.273 38 V C 0.720 176.809 176.094 -0.007 0.000 1.045 38 V CA -0.142 62.154 62.300 -0.007 0.000 0.976 38 V CB 0.475 32.291 31.823 -0.013 0.000 0.993 38 V HN 0.528 nan 8.190 nan 0.000 0.475 39 I N 4.369 124.932 120.570 -0.012 0.000 2.437 39 I HA 0.452 4.622 4.170 -0.000 0.000 0.298 39 I C 0.154 176.253 176.117 -0.030 0.000 0.984 39 I CA 0.004 61.301 61.300 -0.006 0.000 1.214 39 I CB 1.877 39.876 38.000 -0.002 0.000 1.365 39 I HN 0.588 nan 8.210 nan 0.000 0.469 40 T N 4.782 119.325 114.554 -0.019 0.000 2.771 40 T HA 0.342 4.692 4.350 -0.000 0.000 0.281 40 T C -0.123 174.512 174.700 -0.109 0.000 0.982 40 T CA -0.497 61.530 62.100 -0.121 0.000 0.978 40 T CB 1.089 69.852 68.868 -0.175 0.000 0.930 40 T HN 0.713 nan 8.240 nan 0.000 0.447 41 T N 1.209 115.650 114.554 -0.187 0.000 2.928 41 T HA 0.671 5.021 4.350 -0.000 0.000 0.284 41 T C -0.847 173.669 174.700 -0.306 0.000 1.008 41 T CA -0.638 61.401 62.100 -0.101 0.000 1.057 41 T CB 0.583 69.417 68.868 -0.056 0.000 1.018 41 T HN 0.466 nan 8.240 nan 0.000 0.493 42 Y N -0.190 120.047 120.300 -0.105 0.000 2.509 42 Y HA 0.531 5.081 4.550 -0.000 0.000 0.341 42 Y C 0.621 176.457 175.900 -0.107 0.000 1.038 42 Y CA -1.266 56.768 58.100 -0.110 0.000 1.089 42 Y CB 1.598 39.991 38.460 -0.112 0.000 1.241 42 Y HN 0.980 nan 8.280 nan 0.000 0.468 43 C N 6.016 125.345 119.300 0.049 0.000 2.373 43 C HA 0.289 4.749 4.460 -0.000 0.000 0.354 43 C C -1.036 173.999 174.990 0.074 0.000 1.249 43 C CA -2.102 56.944 59.018 0.047 0.000 1.784 43 C CB -0.162 27.586 27.740 0.014 0.000 2.408 43 C HN 0.660 nan 8.230 nan 0.000 0.542 44 P HA -0.026 nan 4.420 nan 0.000 0.230 44 P C 1.134 178.422 177.300 -0.020 0.000 1.158 44 P CA 1.450 64.523 63.100 -0.045 0.000 0.769 44 P CB 0.070 31.701 31.700 -0.115 0.000 0.807 45 A N 1.164 124.045 122.820 0.101 0.000 2.067 45 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 45 A C 1.546 179.279 177.584 0.249 0.000 1.156 45 A CA 1.556 53.702 52.037 0.182 0.000 0.683 45 A CB -0.830 18.322 19.000 0.253 0.000 0.808 45 A HN 0.383 nan 8.150 nan 0.000 0.455 46 N N -3.270 115.549 118.700 0.199 0.000 2.036 46 N HA 0.041 4.781 4.740 -0.000 0.000 0.228 46 N C -0.122 175.461 175.510 0.121 0.000 1.368 46 N CA 0.331 53.484 53.050 0.171 0.000 0.846 46 N CB -1.071 37.538 38.487 0.204 0.000 1.145 46 N HN 0.349 nan 8.380 nan 0.000 0.502 47 N N 0.161 118.922 118.700 0.102 0.000 2.714 47 N HA -0.200 4.540 4.740 -0.000 0.000 0.250 47 N C -1.364 174.258 175.510 0.187 0.000 1.117 47 N CA 0.963 54.067 53.050 0.090 0.000 0.719 47 N CB -0.854 37.646 38.487 0.022 0.000 1.081 47 N HN 0.565 nan 8.380 nan 0.000 0.557 48 E N 0.657 120.957 120.200 0.166 0.000 2.231 48 E HA 0.265 4.615 4.350 -0.000 0.000 0.277 48 E C -2.353 174.250 176.600 0.005 0.000 0.999 48 E CA -1.952 54.517 56.400 0.115 0.000 0.827 48 E CB 1.119 30.840 29.700 0.035 0.000 1.101 48 E HN 0.066 nan 8.360 nan 0.000 0.393 49 P HA 0.066 nan 4.420 nan 0.000 0.276 49 P C 0.059 177.107 177.300 -0.421 0.000 1.235 49 P CA 0.288 62.983 63.100 -0.675 0.000 0.772 49 P CB 0.954 32.291 31.700 -0.605 0.000 0.871 50 I N 1.825 122.133 120.570 -0.437 0.000 2.499 50 I HA 0.196 4.366 4.170 -0.000 0.000 0.243 50 I C 1.236 177.167 176.117 -0.309 0.000 1.085 50 I CA 0.944 62.029 61.300 -0.358 0.000 1.422 50 I CB -0.135 37.672 38.000 -0.322 0.000 1.165 50 I HN 0.420 nan 8.210 nan 0.000 0.440 51 A N -0.048 122.602 122.820 -0.283 0.000 2.511 51 A HA 0.691 5.011 4.320 -0.000 0.000 0.293 51 A C -1.139 176.328 177.584 -0.195 0.000 1.098 51 A CA -0.698 51.206 52.037 -0.222 0.000 0.643 51 A CB 1.072 19.951 19.000 -0.203 0.000 1.302 51 A HN 0.040 nan 8.150 nan 0.000 0.446 52 R N -0.500 119.911 120.500 -0.149 0.000 2.778 52 R HA 0.724 5.064 4.340 -0.000 0.000 0.277 52 R C -1.511 174.735 176.300 -0.089 0.000 0.977 52 R CA -0.748 55.284 56.100 -0.114 0.000 0.950 52 R CB 2.175 32.419 30.300 -0.093 0.000 1.165 52 R HN 0.445 nan 8.270 nan 0.000 0.474 53 V N 2.584 122.458 119.914 -0.066 0.000 2.638 53 V HA 0.381 4.501 4.120 -0.000 0.000 0.306 53 V C -0.326 175.755 176.094 -0.021 0.000 1.052 53 V CA -0.987 61.287 62.300 -0.044 0.000 0.885 53 V CB 1.996 33.792 31.823 -0.046 0.000 0.999 53 V HN 0.662 nan 8.190 nan 0.000 0.424 54 R N 3.559 124.057 120.500 -0.003 0.000 2.210 54 R HA 0.394 4.734 4.340 -0.000 0.000 0.338 54 R C -0.026 176.289 176.300 0.025 0.000 1.062 54 R CA -0.260 55.847 56.100 0.012 0.000 0.902 54 R CB 0.690 31.003 30.300 0.023 0.000 1.050 54 R HN 0.679 nan 8.270 nan 0.000 0.461 55 Q N 1.093 120.902 119.800 0.015 0.000 2.407 55 Q HA 0.369 4.709 4.340 -0.000 0.000 0.214 55 Q C -0.036 175.982 176.000 0.030 0.000 1.043 55 Q CA -0.638 55.175 55.803 0.015 0.000 0.983 55 Q CB 0.770 29.510 28.738 0.004 0.000 1.211 55 Q HN 0.644 nan 8.270 nan 0.000 0.564 56 A N 1.142 123.983 122.820 0.035 0.000 2.450 56 A HA 0.305 4.625 4.320 -0.000 0.000 0.255 56 A C 0.131 177.745 177.584 0.049 0.000 1.096 56 A CA -0.322 51.748 52.037 0.055 0.000 0.778 56 A CB 0.012 19.062 19.000 0.084 0.000 1.031 56 A HN 0.653 nan 8.150 nan 0.000 0.494 57 S N 2.010 117.741 115.700 0.052 0.000 2.624 57 S HA 0.287 4.757 4.470 -0.000 0.000 0.263 57 S C 1.208 175.855 174.600 0.078 0.000 1.287 57 S CA -0.132 58.097 58.200 0.049 0.000 0.990 57 S CB 0.797 64.022 63.200 0.040 0.000 0.950 57 S HN 0.702 nan 8.310 nan 0.000 0.561 58 V N 1.501 121.454 119.914 0.064 0.000 2.324 58 V HA -0.234 3.886 4.120 -0.000 0.000 0.250 58 V C 2.965 179.138 176.094 0.132 0.000 1.060 58 V CA 2.525 64.883 62.300 0.097 0.000 1.042 58 V CB -1.805 30.053 31.823 0.058 0.000 0.650 58 V HN 1.008 nan 8.190 nan 0.000 0.450 59 A N -0.437 122.431 122.820 0.080 0.000 1.930 59 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 59 A C 1.999 179.613 177.584 0.051 0.000 1.175 59 A CA 1.815 53.887 52.037 0.059 0.000 0.627 59 A CB -0.554 18.468 19.000 0.036 0.000 0.815 59 A HN 0.554 nan 8.150 nan 0.000 0.443 60 D N -1.342 119.094 120.400 0.061 0.000 2.104 60 D HA -0.186 4.454 4.640 -0.000 0.000 0.194 60 D C 1.694 178.022 176.300 0.047 0.000 0.994 60 D CA 1.728 55.755 54.000 0.045 0.000 0.830 60 D CB -0.580 40.254 40.800 0.055 0.000 0.959 60 D HN 0.591 nan 8.370 nan 0.000 0.452 61 Y N 2.140 122.439 120.300 -0.002 0.000 2.081 61 Y HA -0.244 4.306 4.550 -0.000 0.000 0.280 61 Y C 2.170 178.071 175.900 0.001 0.000 1.163 61 Y CA 1.758 59.859 58.100 0.002 0.000 1.135 61 Y CB -0.041 38.425 38.460 0.010 0.000 0.970 61 Y HN -0.137 nan 8.280 nan 0.000 0.498 62 E N 0.141 120.309 120.200 -0.053 0.000 2.058 62 E HA -0.253 4.097 4.350 -0.000 0.000 0.194 62 E C 2.122 178.635 176.600 -0.146 0.000 0.997 62 E CA 1.614 57.950 56.400 -0.107 0.000 0.801 62 E CB -0.385 29.331 29.700 0.026 0.000 0.746 62 E HN 0.549 nan 8.360 nan 0.000 0.450 63 E N 0.414 120.558 120.200 -0.094 0.000 2.077 63 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 63 E C 1.969 178.492 176.600 -0.130 0.000 0.989 63 E CA 1.751 58.098 56.400 -0.088 0.000 0.800 63 E CB -0.287 29.378 29.700 -0.058 0.000 0.746 63 E HN 0.111 nan 8.360 nan 0.000 0.452 64 T N -0.157 114.297 114.554 -0.168 0.000 2.777 64 T HA -0.094 4.256 4.350 -0.000 0.000 0.266 64 T C 1.908 176.483 174.700 -0.208 0.000 1.040 64 T CA 1.287 63.276 62.100 -0.184 0.000 1.141 64 T CB -0.346 68.427 68.868 -0.157 0.000 0.868 64 T HN 0.010 nan 8.240 nan 0.000 0.444 65 V N 1.665 121.385 119.914 -0.324 0.000 2.287 65 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 65 V C 2.472 178.481 176.094 -0.142 0.000 1.053 65 V CA 1.682 63.819 62.300 -0.271 0.000 1.027 65 V CB -0.531 31.054 31.823 -0.397 0.000 0.646 65 V HN 0.479 nan 8.190 nan 0.000 0.447 66 K N -0.080 120.244 120.400 -0.127 0.000 2.032 66 K HA -0.208 4.112 4.320 -0.000 0.000 0.209 66 K C 2.272 178.844 176.600 -0.046 0.000 1.048 66 K CA 1.574 57.821 56.287 -0.067 0.000 0.927 66 K CB -0.258 32.208 32.500 -0.058 0.000 0.712 66 K HN 0.412 nan 8.250 nan 0.000 0.441 67 K N 0.302 120.659 120.400 -0.071 0.000 2.097 67 K HA -0.098 4.222 4.320 -0.000 0.000 0.206 67 K C 2.258 178.833 176.600 -0.042 0.000 1.049 67 K CA 1.172 57.419 56.287 -0.067 0.000 0.933 67 K CB -0.128 32.303 32.500 -0.115 0.000 0.717 67 K HN 0.139 nan 8.250 nan 0.000 0.442 68 A N 1.740 124.531 122.820 -0.048 0.000 1.902 68 A HA -0.163 4.157 4.320 -0.000 0.000 0.217 68 A C 2.089 179.722 177.584 0.082 0.000 1.181 68 A CA 1.228 53.265 52.037 -0.000 0.000 0.623 68 A CB -0.359 18.634 19.000 -0.013 0.000 0.818 68 A HN 0.219 nan 8.150 nan 0.000 0.443 69 R N -0.469 120.066 120.500 0.059 0.000 2.115 69 R HA -0.096 4.244 4.340 -0.000 0.000 0.230 69 R C 2.085 178.498 176.300 0.188 0.000 1.111 69 R CA 1.383 57.553 56.100 0.116 0.000 0.976 69 R CB -0.269 30.050 30.300 0.033 0.000 0.870 69 R HN 0.675 nan 8.270 nan 0.000 0.445 70 E N 0.631 120.896 120.200 0.109 0.000 2.051 70 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 70 E C 2.055 178.730 176.600 0.126 0.000 0.991 70 E CA 1.241 57.703 56.400 0.104 0.000 0.799 70 E CB -0.097 29.629 29.700 0.044 0.000 0.748 70 E HN 0.353 nan 8.360 nan 0.000 0.449 71 A N 0.584 123.469 122.820 0.109 0.000 1.978 71 A HA -0.204 4.116 4.320 -0.000 0.000 0.220 71 A C 1.832 179.532 177.584 0.193 0.000 1.170 71 A CA 1.304 53.403 52.037 0.103 0.000 0.636 71 A CB -0.965 18.059 19.000 0.040 0.000 0.810 71 A HN 0.553 nan 8.150 nan 0.000 0.448 72 W N 1.101 122.460 121.300 0.098 0.000 2.374 72 W HA -0.146 4.514 4.660 -0.000 0.000 0.288 72 W C 1.929 178.544 176.519 0.160 0.000 1.218 72 W CA 1.902 59.350 57.345 0.172 0.000 1.245 72 W CB 0.016 29.557 29.460 0.135 0.000 1.126 72 W HN 0.265 nan 8.180 nan 0.000 0.545 73 K N -0.166 120.310 120.400 0.126 0.000 2.103 73 K HA -0.196 4.124 4.320 -0.000 0.000 0.207 73 K C 1.848 178.348 176.600 -0.166 0.000 1.048 73 K CA 1.911 58.157 56.287 -0.069 0.000 0.930 73 K CB -0.481 32.068 32.500 0.082 0.000 0.716 73 K HN 0.308 nan 8.250 nan 0.000 0.444 74 I N -0.274 120.267 120.570 -0.048 0.000 2.235 74 I HA -0.218 3.952 4.170 -0.000 0.000 0.241 74 I C 2.406 178.516 176.117 -0.010 0.000 1.085 74 I CA 0.850 62.141 61.300 -0.015 0.000 1.378 74 I CB -0.288 37.746 38.000 0.057 0.000 1.076 74 I HN 0.371 nan 8.210 nan 0.000 0.415 75 W N 2.096 123.273 121.300 -0.205 0.000 2.358 75 W HA -0.234 4.426 4.660 -0.000 0.000 0.303 75 W C 2.417 178.766 176.519 -0.284 0.000 1.208 75 W CA 1.383 58.619 57.345 -0.182 0.000 1.274 75 W CB 0.089 29.495 29.460 -0.091 0.000 1.138 75 W HN 0.132 nan 8.180 nan 0.000 0.515 76 A N 0.187 122.678 122.820 -0.549 0.000 2.067 76 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 76 A C 1.362 178.666 177.584 -0.466 0.000 1.158 76 A CA 1.883 53.509 52.037 -0.686 0.000 0.661 76 A CB -0.752 17.482 19.000 -1.276 0.000 0.801 76 A HN 0.215 nan 8.150 nan 0.000 0.452 77 D N -0.515 119.660 120.400 -0.375 0.000 2.347 77 D HA 0.136 4.776 4.640 -0.000 0.000 0.213 77 D C 0.345 176.510 176.300 -0.225 0.000 0.985 77 D CA 0.239 54.090 54.000 -0.249 0.000 0.879 77 D CB -0.010 40.682 40.800 -0.179 0.000 0.919 77 D HN 0.443 nan 8.370 nan 0.000 0.526 78 I N 2.104 122.496 120.570 -0.297 0.000 2.416 78 I HA 0.131 4.301 4.170 -0.000 0.000 0.288 78 I C -2.047 173.878 176.117 -0.320 0.000 1.051 78 I CA -1.939 59.188 61.300 -0.287 0.000 1.375 78 I CB 0.975 38.769 38.000 -0.342 0.000 1.407 78 I HN -0.330 nan 8.210 nan 0.000 0.516 79 P HA -0.061 nan 4.420 nan 0.000 0.265 79 P C 0.379 177.536 177.300 -0.239 0.000 1.187 79 P CA 0.132 63.115 63.100 -0.195 0.000 0.766 79 P CB 0.777 32.395 31.700 -0.137 0.000 0.820 80 A N 6.081 128.770 122.820 -0.219 0.000 1.917 80 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 80 A C -0.461 177.009 177.584 -0.190 0.000 1.182 80 A CA 1.936 53.835 52.037 -0.229 0.000 0.633 80 A CB -2.405 16.477 19.000 -0.197 0.000 0.819 80 A HN 0.494 nan 8.150 nan 0.000 0.448 81 P HA -0.126 nan 4.420 nan 0.000 0.218 81 P C 1.120 178.360 177.300 -0.100 0.000 1.149 81 P CA 1.406 64.435 63.100 -0.119 0.000 0.817 81 P CB -0.038 31.602 31.700 -0.101 0.000 0.785 82 K N -0.501 119.829 120.400 -0.116 0.000 2.155 82 K HA -0.004 4.316 4.320 -0.000 0.000 0.203 82 K C 2.198 178.744 176.600 -0.089 0.000 1.052 82 K CA 0.837 57.070 56.287 -0.090 0.000 0.948 82 K CB -0.171 32.273 32.500 -0.093 0.000 0.728 82 K HN 0.091 nan 8.250 nan 0.000 0.448 83 R N 0.244 120.618 120.500 -0.209 0.000 2.081 83 R HA -0.092 4.248 4.340 -0.000 0.000 0.235 83 R C 2.481 178.803 176.300 0.038 0.000 1.131 83 R CA 1.375 57.357 56.100 -0.196 0.000 0.960 83 R CB -0.562 29.415 30.300 -0.538 0.000 0.856 83 R HN 0.286 nan 8.270 nan 0.000 0.436 84 G N 1.362 110.142 108.800 -0.034 0.000 2.442 84 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.219 84 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.219 84 G C 1.343 176.255 174.900 0.021 0.000 1.141 84 G CA 0.993 46.087 45.100 -0.009 0.000 0.763 84 G HN 0.308 nan 8.290 nan 0.000 0.554 85 E N 0.669 120.878 120.200 0.015 0.000 2.110 85 E HA -0.116 4.234 4.350 -0.000 0.000 0.193 85 E C 2.387 179.023 176.600 0.059 0.000 0.988 85 E CA 0.678 57.093 56.400 0.025 0.000 0.804 85 E CB -0.284 29.424 29.700 0.013 0.000 0.745 85 E HN 0.327 nan 8.360 nan 0.000 0.458 86 I N 0.345 120.982 120.570 0.111 0.000 2.226 86 I HA -0.195 3.975 4.170 -0.000 0.000 0.245 86 I C 2.350 178.532 176.117 0.109 0.000 1.100 86 I CA 0.769 62.154 61.300 0.142 0.000 1.374 86 I CB -1.259 36.904 38.000 0.272 0.000 1.057 86 I HN 0.081 nan 8.210 nan 0.000 0.413 87 V N 1.066 121.054 119.914 0.124 0.000 2.407 87 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 87 V C 2.773 178.894 176.094 0.044 0.000 1.055 87 V CA 1.742 64.095 62.300 0.089 0.000 1.049 87 V CB -0.838 31.047 31.823 0.103 0.000 0.662 87 V HN 0.404 nan 8.190 nan 0.000 0.455 88 R N -0.058 120.463 120.500 0.036 0.000 2.083 88 R HA -0.228 4.112 4.340 -0.000 0.000 0.237 88 R C 2.381 178.685 176.300 0.006 0.000 1.137 88 R CA 2.062 58.172 56.100 0.017 0.000 0.951 88 R CB -0.227 30.081 30.300 0.012 0.000 0.851 88 R HN 0.593 nan 8.270 nan 0.000 0.434 89 Q N 0.009 119.818 119.800 0.015 0.000 2.170 89 Q HA -0.134 4.206 4.340 -0.000 0.000 0.203 89 Q C 2.212 178.205 176.000 -0.013 0.000 0.976 89 Q CA 1.519 57.326 55.803 0.007 0.000 0.858 89 Q CB -0.055 28.696 28.738 0.021 0.000 0.907 89 Q HN 0.455 nan 8.270 nan 0.000 0.433 90 I N 0.326 120.884 120.570 -0.019 0.000 2.179 90 I HA -0.223 3.947 4.170 -0.000 0.000 0.242 90 I C 2.357 178.388 176.117 -0.142 0.000 1.088 90 I CA 1.197 62.455 61.300 -0.070 0.000 1.357 90 I CB -0.685 37.281 38.000 -0.058 0.000 1.051 90 I HN 0.279 nan 8.210 nan 0.000 0.409 91 G N 0.529 109.261 108.800 -0.114 0.000 2.446 91 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.217 91 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.217 91 G C 1.275 176.127 174.900 -0.081 0.000 1.168 91 G CA 1.112 46.142 45.100 -0.117 0.000 0.771 91 G HN 0.282 nan 8.290 nan 0.000 0.551 92 D N 0.805 121.177 120.400 -0.046 0.000 2.144 92 D HA -0.010 4.630 4.640 -0.000 0.000 0.199 92 D C 2.770 179.049 176.300 -0.035 0.000 0.984 92 D CA 1.152 55.134 54.000 -0.031 0.000 0.834 92 D CB -0.342 40.449 40.800 -0.015 0.000 0.955 92 D HN 0.319 nan 8.370 nan 0.000 0.465 93 A N 0.245 123.038 122.820 -0.045 0.000 1.968 93 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 93 A C 2.341 179.897 177.584 -0.047 0.000 1.169 93 A CA 0.613 52.628 52.037 -0.036 0.000 0.638 93 A CB -0.567 18.415 19.000 -0.029 0.000 0.812 93 A HN 0.190 nan 8.150 nan 0.000 0.446 94 L N -1.024 120.144 121.223 -0.092 0.000 2.056 94 L HA -0.163 4.177 4.340 -0.000 0.000 0.207 94 L C 2.820 179.661 176.870 -0.049 0.000 1.078 94 L CA 1.277 56.059 54.840 -0.097 0.000 0.749 94 L CB -0.450 41.481 42.059 -0.212 0.000 0.901 94 L HN 0.333 nan 8.230 nan 0.000 0.433 95 R N 0.144 120.617 120.500 -0.045 0.000 2.091 95 R HA -0.210 4.130 4.340 -0.000 0.000 0.238 95 R C 2.136 178.429 176.300 -0.012 0.000 1.136 95 R CA 1.688 57.776 56.100 -0.020 0.000 0.959 95 R CB -0.304 29.987 30.300 -0.016 0.000 0.856 95 R HN 0.448 nan 8.270 nan 0.000 0.437 96 E N 0.058 120.251 120.200 -0.013 0.000 2.204 96 E HA -0.110 4.240 4.350 -0.000 0.000 0.194 96 E C 1.041 177.641 176.600 -0.000 0.000 0.989 96 E CA 0.799 57.196 56.400 -0.005 0.000 0.824 96 E CB 0.267 29.964 29.700 -0.005 0.000 0.756 96 E HN 0.077 nan 8.360 nan 0.000 0.477 97 K N 0.247 120.648 120.400 0.001 0.000 2.440 97 K HA 0.161 4.481 4.320 -0.000 0.000 0.206 97 K C 1.457 178.065 176.600 0.013 0.000 1.025 97 K CA -0.099 56.196 56.287 0.013 0.000 1.135 97 K CB 0.463 32.976 32.500 0.023 0.000 0.856 97 K HN 0.179 nan 8.250 nan 0.000 0.502 98 I N 1.162 121.735 120.570 0.005 0.000 2.208 98 I HA -0.329 3.841 4.170 -0.000 0.000 0.245 98 I C 1.952 178.068 176.117 -0.002 0.000 1.097 98 I CA 1.496 62.801 61.300 0.008 0.000 1.363 98 I CB 0.381 38.385 38.000 0.007 0.000 1.051 98 I HN 0.163 nan 8.210 nan 0.000 0.413 99 Q N -0.261 119.527 119.800 -0.020 0.000 2.046 99 Q HA -0.174 4.166 4.340 -0.000 0.000 0.200 99 Q C 2.320 178.263 176.000 -0.096 0.000 0.975 99 Q CA 1.774 57.544 55.803 -0.056 0.000 0.836 99 Q CB -0.776 27.923 28.738 -0.066 0.000 0.896 99 Q HN 0.514 nan 8.270 nan 0.000 0.428 100 V N 0.809 120.689 119.914 -0.058 0.000 2.548 100 V HA -0.163 3.957 4.120 -0.000 0.000 0.249 100 V C 2.156 178.281 176.094 0.051 0.000 1.055 100 V CA 0.955 63.233 62.300 -0.038 0.000 1.065 100 V CB -0.286 31.596 31.823 0.097 0.000 0.681 100 V HN 0.230 nan 8.190 nan 0.000 0.462 101 L N 1.236 122.494 121.223 0.058 0.000 2.056 101 L HA 0.137 4.477 4.340 -0.000 0.000 0.207 101 L C 2.405 179.317 176.870 0.070 0.000 1.078 101 L CA 2.477 57.370 54.840 0.088 0.000 0.749 101 L CB -1.383 40.726 42.059 0.083 0.000 0.901 101 L HN 0.311 nan 8.230 nan 0.000 0.433 102 G N -1.521 107.296 108.800 0.029 0.000 2.440 102 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.218 102 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.218 102 G C 1.614 176.516 174.900 0.003 0.000 1.154 102 G CA 0.975 46.087 45.100 0.021 0.000 0.767 102 G HN 0.470 nan 8.290 nan 0.000 0.552 103 S N 0.148 115.790 115.700 -0.096 0.000 2.370 103 S HA -0.125 4.345 4.470 -0.000 0.000 0.226 103 S C 2.155 176.779 174.600 0.040 0.000 1.033 103 S CA 1.222 59.283 58.200 -0.232 0.000 1.011 103 S CB -0.266 62.418 63.200 -0.860 0.000 0.852 103 S HN 0.284 nan 8.310 nan 0.000 0.457 104 L N 1.783 123.131 121.223 0.209 0.000 2.093 104 L HA 0.004 4.344 4.340 -0.000 0.000 0.208 104 L C 2.107 179.073 176.870 0.160 0.000 1.085 104 L CA 1.467 56.482 54.840 0.290 0.000 0.755 104 L CB -0.676 41.527 42.059 0.241 0.000 0.904 104 L HN 0.121 nan 8.230 nan 0.000 0.435 105 V N -0.897 119.088 119.914 0.118 0.000 2.343 105 V HA -0.261 3.859 4.120 -0.000 0.000 0.247 105 V C 2.582 178.741 176.094 0.107 0.000 1.051 105 V CA 1.878 64.232 62.300 0.090 0.000 1.036 105 V CB -0.813 31.045 31.823 0.058 0.000 0.654 105 V HN 0.502 nan 8.190 nan 0.000 0.451 106 S N -0.115 115.666 115.700 0.134 0.000 2.382 106 S HA -0.168 4.302 4.470 -0.000 0.000 0.228 106 S C 1.828 176.606 174.600 0.296 0.000 1.027 106 S CA 1.747 60.073 58.200 0.211 0.000 0.991 106 S CB -0.334 63.033 63.200 0.278 0.000 0.823 106 S HN 0.441 nan 8.310 nan 0.000 0.469 107 L N 1.420 122.771 121.223 0.214 0.000 2.023 107 L HA 0.068 4.408 4.340 -0.000 0.000 0.205 107 L C 2.288 179.221 176.870 0.106 0.000 1.073 107 L CA 1.839 56.743 54.840 0.108 0.000 0.745 107 L CB -0.457 41.590 42.059 -0.020 0.000 0.900 107 L HN 0.250 nan 8.230 nan 0.000 0.435 108 E N -1.396 118.860 120.200 0.093 0.000 2.122 108 E HA -0.162 4.188 4.350 -0.000 0.000 0.190 108 E C 2.106 178.828 176.600 0.203 0.000 0.977 108 E CA 0.689 57.144 56.400 0.093 0.000 0.820 108 E CB 0.017 29.752 29.700 0.059 0.000 0.770 108 E HN 0.417 nan 8.360 nan 0.000 0.462 109 M N -0.834 118.881 119.600 0.193 0.000 2.325 109 M HA 0.075 4.555 4.480 -0.000 0.000 0.265 109 M C 1.305 177.751 176.300 0.245 0.000 1.094 109 M CA 2.008 57.440 55.300 0.219 0.000 1.161 109 M CB 0.500 33.131 32.600 0.052 0.000 1.358 109 M HN 0.296 nan 8.290 nan 0.000 0.446 110 G N 1.815 110.707 108.800 0.153 0.000 2.184 110 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.206 110 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.206 110 G C 0.145 175.048 174.900 0.006 0.000 0.995 110 G CA 0.464 45.622 45.100 0.097 0.000 0.651 110 G HN 0.615 nan 8.290 nan 0.000 0.511 111 K N 1.288 121.684 120.400 -0.008 0.000 2.219 111 K HA 0.592 4.912 4.320 -0.000 0.000 0.258 111 K C 1.305 177.907 176.600 0.003 0.000 1.008 111 K CA -0.303 55.951 56.287 -0.055 0.000 0.928 111 K CB 1.103 33.535 32.500 -0.113 0.000 0.983 111 K HN 0.810 nan 8.250 nan 0.000 0.484 112 I N -0.128 120.437 120.570 -0.009 0.000 2.938 112 I HA -0.074 4.096 4.170 -0.000 0.000 0.285 112 I C 1.197 177.347 176.117 0.056 0.000 1.182 112 I CA -0.706 60.611 61.300 0.029 0.000 1.388 112 I CB 0.359 38.373 38.000 0.024 0.000 1.390 112 I HN 0.715 nan 8.210 nan 0.000 0.600 113 L N 4.731 125.999 121.223 0.076 0.000 2.042 113 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 113 L C 2.209 179.109 176.870 0.050 0.000 1.076 113 L CA 1.932 56.816 54.840 0.072 0.000 0.749 113 L CB -0.517 41.588 42.059 0.076 0.000 0.893 113 L HN 0.718 nan 8.230 nan 0.000 0.432 114 V N -0.511 119.433 119.914 0.051 0.000 2.469 114 V HA -0.288 3.832 4.120 -0.000 0.000 0.251 114 V C 2.374 178.508 176.094 0.066 0.000 1.064 114 V CA 2.204 64.536 62.300 0.053 0.000 1.066 114 V CB -0.313 31.544 31.823 0.056 0.000 0.667 114 V HN 0.634 nan 8.190 nan 0.000 0.461 115 E N -0.312 119.929 120.200 0.067 0.000 2.112 115 E HA -0.041 4.309 4.350 -0.000 0.000 0.190 115 E C 2.163 178.791 176.600 0.046 0.000 0.979 115 E CA 0.913 57.354 56.400 0.070 0.000 0.814 115 E CB -0.431 29.297 29.700 0.046 0.000 0.762 115 E HN 0.696 nan 8.360 nan 0.000 0.460 116 G N 1.415 110.236 108.800 0.035 0.000 2.433 116 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.216 116 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.216 116 G C 1.771 176.700 174.900 0.047 0.000 1.186 116 G CA 0.751 45.872 45.100 0.034 0.000 0.779 116 G HN 0.104 nan 8.290 nan 0.000 0.543 117 V N 1.650 121.590 119.914 0.043 0.000 2.343 117 V HA -0.095 4.025 4.120 -0.000 0.000 0.247 117 V C 3.160 179.289 176.094 0.059 0.000 1.051 117 V CA 2.050 64.375 62.300 0.041 0.000 1.036 117 V CB -1.103 30.736 31.823 0.026 0.000 0.654 117 V HN 0.452 nan 8.190 nan 0.000 0.451 118 G N -1.057 107.786 108.800 0.071 0.000 2.442 118 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.219 118 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.219 118 G C 1.540 176.509 174.900 0.114 0.000 1.141 118 G CA 0.966 46.122 45.100 0.092 0.000 0.763 118 G HN 0.570 nan 8.290 nan 0.000 0.554 119 E N -0.142 120.126 120.200 0.114 0.000 2.072 119 E HA -0.086 4.263 4.350 -0.000 0.000 0.191 119 E C 2.709 179.378 176.600 0.115 0.000 0.985 119 E CA 0.903 57.380 56.400 0.127 0.000 0.801 119 E CB -0.015 29.748 29.700 0.105 0.000 0.750 119 E HN 0.274 nan 8.360 nan 0.000 0.452 120 V N 1.083 121.062 119.914 0.108 0.000 2.332 120 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 120 V C 2.501 178.663 176.094 0.113 0.000 1.055 120 V CA 2.092 64.464 62.300 0.120 0.000 1.038 120 V CB -0.650 31.223 31.823 0.083 0.000 0.651 120 V HN 0.281 nan 8.190 nan 0.000 0.450 121 Q N 0.540 120.395 119.800 0.091 0.000 2.135 121 Q HA -0.254 4.086 4.340 -0.000 0.000 0.204 121 Q C 2.111 178.180 176.000 0.115 0.000 0.981 121 Q CA 2.264 58.117 55.803 0.084 0.000 0.856 121 Q CB -0.352 28.428 28.738 0.069 0.000 0.902 121 Q HN 0.754 nan 8.270 nan 0.000 0.425 122 E N -1.440 118.844 120.200 0.141 0.000 2.110 122 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 122 E C 1.618 178.359 176.600 0.235 0.000 0.988 122 E CA 1.131 57.640 56.400 0.182 0.000 0.804 122 E CB -0.391 29.427 29.700 0.195 0.000 0.745 122 E HN 0.504 nan 8.360 nan 0.000 0.458 123 Y N 0.709 121.026 120.300 0.028 0.000 2.145 123 Y HA -0.157 4.393 4.550 -0.000 0.000 0.286 123 Y C 2.129 178.053 175.900 0.040 0.000 1.145 123 Y CA 1.171 59.275 58.100 0.007 0.000 1.148 123 Y CB -0.711 37.729 38.460 -0.033 0.000 0.981 123 Y HN -0.036 nan 8.280 nan 0.000 0.507 124 V N 0.821 120.804 119.914 0.115 0.000 2.282 124 V HA -0.331 3.789 4.120 -0.000 0.000 0.249 124 V C 2.214 178.361 176.094 0.087 0.000 1.057 124 V CA 2.318 64.633 62.300 0.026 0.000 1.032 124 V CB -0.667 31.163 31.823 0.012 0.000 0.645 124 V HN 0.308 nan 8.190 nan 0.000 0.447 125 D N -0.527 119.944 120.400 0.118 0.000 2.117 125 D HA -0.132 4.508 4.640 -0.000 0.000 0.197 125 D C 1.929 178.317 176.300 0.147 0.000 0.987 125 D CA 1.210 55.277 54.000 0.111 0.000 0.829 125 D CB -0.236 40.618 40.800 0.091 0.000 0.961 125 D HN 0.435 nan 8.370 nan 0.000 0.460 126 I N 0.516 121.202 120.570 0.194 0.000 2.394 126 I HA -0.199 3.971 4.170 -0.000 0.000 0.251 126 I C 2.032 178.293 176.117 0.239 0.000 1.136 126 I CA 0.751 62.183 61.300 0.220 0.000 1.425 126 I CB -0.094 38.070 38.000 0.273 0.000 1.079 126 I HN -0.010 nan 8.210 nan 0.000 0.425 127 C N 0.612 120.042 119.300 0.216 0.000 2.398 127 C HA -0.195 4.265 4.460 -0.000 0.000 0.276 127 C C 2.411 177.468 174.990 0.112 0.000 1.222 127 C CA 1.247 60.351 59.018 0.143 0.000 1.746 127 C CB -1.238 26.540 27.740 0.063 0.000 2.039 127 C HN 0.523 nan 8.230 nan 0.000 0.470 128 D N -0.949 119.517 120.400 0.111 0.000 2.144 128 D HA -0.131 4.509 4.640 -0.000 0.000 0.199 128 D C 1.719 178.090 176.300 0.118 0.000 0.984 128 D CA 1.231 55.285 54.000 0.090 0.000 0.834 128 D CB -0.542 40.306 40.800 0.080 0.000 0.955 128 D HN 0.668 nan 8.370 nan 0.000 0.465 129 Y N 1.555 121.866 120.300 0.018 0.000 2.181 129 Y HA -0.145 4.405 4.550 -0.000 0.000 0.288 129 Y C 2.234 178.126 175.900 -0.013 0.000 1.146 129 Y CA 1.682 59.784 58.100 0.004 0.000 1.164 129 Y CB -0.280 38.187 38.460 0.011 0.000 0.982 129 Y HN -0.056 nan 8.280 nan 0.000 0.515 130 A N -0.797 122.076 122.820 0.088 0.000 2.015 130 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 130 A C 2.279 179.808 177.584 -0.092 0.000 1.163 130 A CA 1.583 53.602 52.037 -0.031 0.000 0.646 130 A CB -1.204 17.831 19.000 0.059 0.000 0.806 130 A HN 0.344 nan 8.150 nan 0.000 0.448 131 V N -0.094 119.791 119.914 -0.048 0.000 2.332 131 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 131 V C 2.784 178.810 176.094 -0.113 0.000 1.055 131 V CA 2.072 64.336 62.300 -0.060 0.000 1.038 131 V CB -1.377 30.430 31.823 -0.026 0.000 0.651 131 V HN 0.595 nan 8.190 nan 0.000 0.450 132 G N -0.533 108.178 108.800 -0.148 0.000 2.394 132 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.215 132 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.215 132 G C 1.531 176.279 174.900 -0.253 0.000 1.165 132 G CA 0.767 45.757 45.100 -0.183 0.000 0.784 132 G HN 0.407 nan 8.290 nan 0.000 0.535 133 L N 2.138 123.149 121.223 -0.353 0.000 2.131 133 L HA -0.054 4.286 4.340 -0.000 0.000 0.210 133 L C 3.036 179.694 176.870 -0.353 0.000 1.092 133 L CA 2.148 56.743 54.840 -0.408 0.000 0.759 133 L CB -0.571 41.201 42.059 -0.479 0.000 0.903 133 L HN 0.360 nan 8.230 nan 0.000 0.435 134 S N -1.208 114.336 115.700 -0.259 0.000 2.469 134 S HA -0.162 4.308 4.470 -0.000 0.000 0.238 134 S C 1.894 176.367 174.600 -0.211 0.000 0.998 134 S CA 0.724 58.789 58.200 -0.225 0.000 0.957 134 S CB -0.474 62.633 63.200 -0.155 0.000 0.764 134 S HN 0.566 nan 8.310 nan 0.000 0.514 135 R N -0.415 119.966 120.500 -0.198 0.000 2.393 135 R HA 0.413 4.753 4.340 -0.000 0.000 0.244 135 R C 1.151 177.343 176.300 -0.180 0.000 0.920 135 R CA 0.264 56.266 56.100 -0.165 0.000 1.076 135 R CB 0.014 30.238 30.300 -0.126 0.000 1.119 135 R HN 0.514 nan 8.270 nan 0.000 0.524 136 M N 0.034 119.484 119.600 -0.251 0.000 2.279 136 M HA 0.207 4.687 4.480 -0.000 0.000 0.278 136 M C 0.537 176.623 176.300 -0.356 0.000 1.142 136 M CA -0.072 55.075 55.300 -0.254 0.000 1.119 136 M CB 0.516 32.969 32.600 -0.245 0.000 1.741 136 M HN -0.015 nan 8.290 nan 0.000 0.601 137 I N 0.807 121.032 120.570 -0.574 0.000 2.775 137 I HA 0.535 4.704 4.170 -0.000 0.000 0.290 137 I C 0.397 176.206 176.117 -0.513 0.000 1.203 137 I CA 0.229 60.937 61.300 -0.986 0.000 1.433 137 I CB -0.181 37.050 38.000 -1.281 0.000 1.354 137 I HN 0.278 nan 8.210 nan 0.000 0.579 138 G N 3.185 111.752 108.800 -0.389 0.000 2.352 138 G HA2 0.484 4.444 3.960 -0.000 0.000 0.283 138 G HA3 0.484 4.444 3.960 -0.000 0.000 0.283 138 G C -0.951 174.145 174.900 0.328 0.000 1.308 138 G CA -0.389 44.771 45.100 0.100 0.000 0.892 138 G HN 1.104 nan 8.290 nan 0.000 0.504 139 G N -0.542 108.522 108.800 0.439 0.000 2.733 139 G HA2 0.866 4.826 3.960 -0.000 0.000 0.288 139 G HA3 0.866 4.826 3.960 -0.000 0.000 0.288 139 G C -2.887 172.165 174.900 0.252 0.000 1.373 139 G CA -0.917 44.469 45.100 0.477 0.000 0.895 139 G HN 0.652 nan 8.290 nan 0.000 0.479 140 P HA 0.283 nan 4.420 nan 0.000 0.275 140 P C -0.549 176.813 177.300 0.103 0.000 1.227 140 P CA -0.325 62.852 63.100 0.129 0.000 0.781 140 P CB 1.867 33.634 31.700 0.113 0.000 0.906 141 I N 3.395 124.012 120.570 0.077 0.000 2.337 141 I HA 0.180 4.350 4.170 -0.000 0.000 0.291 141 I C -0.441 175.710 176.117 0.058 0.000 1.046 141 I CA -0.636 60.702 61.300 0.062 0.000 1.324 141 I CB 0.067 38.097 38.000 0.049 0.000 1.409 141 I HN 0.187 nan 8.210 nan 0.000 0.494 142 L N 9.012 130.269 121.223 0.057 0.000 2.334 142 L HA 0.599 4.939 4.340 -0.000 0.000 0.272 142 L C -2.231 174.669 176.870 0.050 0.000 1.020 142 L CA -1.924 52.946 54.840 0.050 0.000 0.812 142 L CB 1.538 43.625 42.059 0.046 0.000 1.264 142 L HN 0.475 nan 8.230 nan 0.000 0.439 143 P HA 0.098 nan 4.420 nan 0.000 0.286 143 P C -0.553 176.768 177.300 0.036 0.000 1.321 143 P CA -0.252 62.874 63.100 0.044 0.000 0.790 143 P CB 1.429 33.150 31.700 0.034 0.000 0.897 144 S N 2.166 117.894 115.700 0.047 0.000 2.564 144 S HA 0.018 4.488 4.470 -0.000 0.000 0.278 144 S C 1.470 176.069 174.600 -0.002 0.000 1.333 144 S CA -0.392 57.821 58.200 0.023 0.000 1.048 144 S CB 0.327 63.552 63.200 0.041 0.000 0.900 144 S HN 0.538 nan 8.310 nan 0.000 0.505 145 E N 3.481 123.662 120.200 -0.031 0.000 2.418 145 E HA -0.058 4.292 4.350 -0.000 0.000 0.197 145 E C 0.043 176.599 176.600 -0.074 0.000 1.026 145 E CA 0.558 56.932 56.400 -0.043 0.000 0.862 145 E CB 0.039 29.710 29.700 -0.048 0.000 0.799 145 E HN 0.489 nan 8.360 nan 0.000 0.518 146 R N 1.651 122.075 120.500 -0.127 0.000 2.229 146 R HA 0.291 4.631 4.340 -0.000 0.000 0.328 146 R C -0.544 175.707 176.300 -0.082 0.000 1.009 146 R CA -0.449 55.513 56.100 -0.230 0.000 0.864 146 R CB 1.597 31.505 30.300 -0.653 0.000 1.085 146 R HN -0.032 nan 8.270 nan 0.000 0.453 147 S N 1.391 117.076 115.700 -0.026 0.000 2.558 147 S HA 0.134 4.604 4.470 -0.000 0.000 0.291 147 S C 1.310 175.958 174.600 0.079 0.000 1.306 147 S CA 0.833 59.050 58.200 0.030 0.000 1.056 147 S CB 0.852 64.060 63.200 0.014 0.000 0.836 147 S HN 0.973 nan 8.310 nan 0.000 0.504 148 G N 1.810 110.578 108.800 -0.054 0.000 2.153 148 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.252 148 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.252 148 G C -0.336 173.940 174.900 -1.041 0.000 0.994 148 G CA 0.329 45.110 45.100 -0.532 0.000 0.698 148 G HN 0.814 nan 8.290 nan 0.000 0.521 149 H N -0.291 118.482 119.070 -0.496 0.000 2.637 149 H HA 0.763 5.319 4.556 -0.000 0.000 0.363 149 H C 0.377 175.781 175.328 0.127 0.000 1.131 149 H CA 0.171 56.081 56.048 -0.230 0.000 1.183 149 H CB 1.832 31.528 29.762 -0.110 0.000 1.637 149 H HN 0.563 nan 8.280 nan 0.000 0.531 150 A N 2.048 125.082 122.820 0.357 0.000 2.306 150 A HA 0.623 4.943 4.320 -0.000 0.000 0.330 150 A C -1.176 176.506 177.584 0.164 0.000 1.146 150 A CA -0.534 51.660 52.037 0.263 0.000 0.827 150 A CB 0.609 19.741 19.000 0.219 0.000 1.178 150 A HN 0.487 nan 8.150 nan 0.000 0.490 151 L N 3.036 124.327 121.223 0.114 0.000 2.404 151 L HA 0.724 5.064 4.340 -0.000 0.000 0.272 151 L C -0.791 176.116 176.870 0.062 0.000 0.980 151 L CA -0.363 54.523 54.840 0.076 0.000 0.836 151 L CB 1.238 43.332 42.059 0.058 0.000 1.238 151 L HN 0.665 nan 8.230 nan 0.000 0.408 152 I N 0.895 121.495 120.570 0.049 0.000 2.582 152 I HA 0.597 4.767 4.170 -0.000 0.000 0.292 152 I C -0.884 175.250 176.117 0.028 0.000 1.066 152 I CA -0.652 60.676 61.300 0.047 0.000 1.053 152 I CB 2.138 40.166 38.000 0.048 0.000 1.241 152 I HN 0.724 nan 8.210 nan 0.000 0.421 153 E N 5.838 126.066 120.200 0.046 0.000 2.081 153 E HA 0.255 4.605 4.350 -0.000 0.000 0.281 153 E C -0.970 175.649 176.600 0.032 0.000 0.986 153 E CA -0.576 55.828 56.400 0.007 0.000 0.796 153 E CB 0.941 30.680 29.700 0.064 0.000 1.085 153 E HN 0.571 nan 8.360 nan 0.000 0.398 154 Q N 3.266 123.027 119.800 -0.066 0.000 2.226 154 Q HA 0.297 4.637 4.340 -0.000 0.000 0.256 154 Q C -1.138 174.769 176.000 -0.155 0.000 0.962 154 Q CA -0.342 55.462 55.803 0.003 0.000 0.887 154 Q CB 1.502 30.245 28.738 0.009 0.000 1.282 154 Q HN 0.526 nan 8.270 nan 0.000 0.449 155 W N 1.184 122.560 121.300 0.127 0.000 2.739 155 W HA 0.426 5.086 4.660 -0.000 0.000 0.331 155 W C -0.009 176.598 176.519 0.147 0.000 1.049 155 W CA -0.424 57.029 57.345 0.180 0.000 1.234 155 W CB 1.405 31.059 29.460 0.323 0.000 1.404 155 W HN 0.367 nan 8.180 nan 0.000 0.477 156 N N 2.817 121.729 118.700 0.353 0.000 2.321 156 N HA 0.457 5.197 4.740 -0.000 0.000 0.290 156 N C -2.812 172.896 175.510 0.330 0.000 1.212 156 N CA -1.727 51.491 53.050 0.279 0.000 0.767 156 N CB 2.367 40.976 38.487 0.204 0.000 1.494 156 N HN -0.065 nan 8.380 nan 0.000 0.479 157 P HA -0.015 nan 4.420 nan 0.000 0.269 157 P C 1.227 178.707 177.300 0.299 0.000 1.209 157 P CA -0.162 63.174 63.100 0.393 0.000 0.776 157 P CB 0.661 32.707 31.700 0.576 0.000 0.876 158 V N -0.377 119.672 119.914 0.224 0.000 2.719 158 V HA 0.218 4.338 4.120 -0.000 0.000 0.252 158 V C 1.262 177.295 176.094 -0.101 0.000 1.065 158 V CA 1.715 64.066 62.300 0.085 0.000 1.086 158 V CB -1.435 30.446 31.823 0.097 0.000 0.700 158 V HN 0.847 nan 8.190 nan 0.000 0.467 159 G N 0.665 109.368 108.800 -0.161 0.000 2.344 159 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.215 159 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.215 159 G C -0.629 174.104 174.900 -0.278 0.000 1.293 159 G CA -0.100 44.586 45.100 -0.690 0.000 1.305 159 G HN 0.832 nan 8.290 nan 0.000 0.484 160 L N 2.032 123.151 121.223 -0.173 0.000 2.272 160 L HA 0.787 5.127 4.340 -0.000 0.000 0.289 160 L C -0.075 176.833 176.870 0.064 0.000 1.032 160 L CA -0.865 53.969 54.840 -0.010 0.000 0.810 160 L CB 1.635 43.680 42.059 -0.023 0.000 1.205 160 L HN 0.540 nan 8.230 nan 0.000 0.422 161 V N 5.753 125.747 119.914 0.134 0.000 2.318 161 V HA 0.533 4.653 4.120 -0.000 0.000 0.271 161 V C 0.940 177.140 176.094 0.177 0.000 1.030 161 V CA -0.377 62.026 62.300 0.172 0.000 0.844 161 V CB 0.746 32.723 31.823 0.255 0.000 1.015 161 V HN 0.940 nan 8.190 nan 0.000 0.460 162 G N 5.350 114.253 108.800 0.170 0.000 2.403 162 G HA2 0.591 4.551 3.960 -0.000 0.000 0.259 162 G HA3 0.591 4.551 3.960 -0.000 0.000 0.259 162 G C -0.569 174.466 174.900 0.225 0.000 1.244 162 G CA -0.275 44.948 45.100 0.205 0.000 0.849 162 G HN 0.660 nan 8.290 nan 0.000 0.532 163 I N 2.572 123.307 120.570 0.274 0.000 2.439 163 I HA 0.306 4.476 4.170 -0.000 0.000 0.283 163 I C -0.456 175.871 176.117 0.351 0.000 1.023 163 I CA -0.422 61.043 61.300 0.275 0.000 1.100 163 I CB 1.857 39.999 38.000 0.237 0.000 1.238 163 I HN 0.223 nan 8.210 nan 0.000 0.445 164 I N 5.819 126.538 120.570 0.248 0.000 2.354 164 I HA 0.404 4.574 4.170 -0.000 0.000 0.292 164 I C 0.216 176.337 176.117 0.007 0.000 0.989 164 I CA -0.270 61.136 61.300 0.176 0.000 1.188 164 I CB 1.985 40.104 38.000 0.198 0.000 1.342 164 I HN 0.569 nan 8.210 nan 0.000 0.457 165 T N 2.626 117.236 114.554 0.093 0.000 2.924 165 T HA 0.826 5.176 4.350 -0.000 0.000 0.291 165 T C -0.186 174.497 174.700 -0.028 0.000 1.045 165 T CA -0.827 61.300 62.100 0.045 0.000 1.015 165 T CB 1.992 71.025 68.868 0.275 0.000 1.103 165 T HN 0.570 nan 8.240 nan 0.000 0.496 166 A N 1.282 124.054 122.820 -0.081 0.000 2.272 166 A HA 0.615 4.935 4.320 -0.000 0.000 0.275 166 A C 0.870 178.426 177.584 -0.047 0.000 1.096 166 A CA -0.754 51.228 52.037 -0.091 0.000 0.822 166 A CB -0.229 18.655 19.000 -0.193 0.000 1.088 166 A HN 1.155 nan 8.150 nan 0.000 0.495 167 F N 0.693 120.606 119.950 -0.061 0.000 2.325 167 F HA -0.084 4.443 4.527 -0.000 0.000 0.299 167 F C 1.645 177.322 175.800 -0.204 0.000 1.090 167 F CA 1.316 59.221 58.000 -0.159 0.000 1.392 167 F CB -0.462 38.365 39.000 -0.289 0.000 1.053 167 F HN 0.529 nan 8.300 nan 0.000 0.521 168 N N 0.067 118.235 118.700 -0.887 0.000 2.415 168 N HA -0.073 4.667 4.740 -0.000 0.000 0.176 168 N C -0.255 174.897 175.510 -0.597 0.000 1.042 168 N CA 0.476 53.053 53.050 -0.789 0.000 0.902 168 N CB -0.635 37.388 38.487 -0.773 0.000 0.986 168 N HN 0.373 nan 8.380 nan 0.000 0.447 169 F N 1.332 121.141 119.950 -0.235 0.000 2.531 169 F HA 0.436 4.963 4.527 -0.000 0.000 0.333 169 F C -1.730 173.982 175.800 -0.146 0.000 1.292 169 F CA -2.015 55.871 58.000 -0.190 0.000 1.184 169 F CB 1.902 40.743 39.000 -0.264 0.000 1.426 169 F HN -0.089 nan 8.300 nan 0.000 0.559 170 P HA -0.017 nan 4.420 nan 0.000 0.241 170 P C 1.067 178.486 177.300 0.199 0.000 1.191 170 P CA 0.875 64.038 63.100 0.107 0.000 0.771 170 P CB 0.821 32.565 31.700 0.075 0.000 0.929 171 V N 0.090 120.065 119.914 0.102 0.000 2.743 171 V HA 0.145 4.265 4.120 -0.000 0.000 0.237 171 V C 2.691 178.694 176.094 -0.151 0.000 1.113 171 V CA 1.354 63.712 62.300 0.098 0.000 1.141 171 V CB -1.274 30.640 31.823 0.151 0.000 0.873 171 V HN -0.008 nan 8.190 nan 0.000 0.486 172 A N 0.206 122.874 122.820 -0.254 0.000 1.902 172 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 172 A C 2.321 179.125 177.584 -1.299 0.000 1.181 172 A CA 2.058 53.681 52.037 -0.690 0.000 0.623 172 A CB -0.621 18.017 19.000 -0.602 0.000 0.818 172 A HN 0.290 nan 8.150 nan 0.000 0.443 173 V N -1.316 118.012 119.914 -0.977 0.000 2.295 173 V HA -0.285 3.835 4.120 -0.000 0.000 0.246 173 V C 2.343 178.127 176.094 -0.517 0.000 1.049 173 V CA 2.141 63.944 62.300 -0.828 0.000 1.024 173 V CB -1.078 30.531 31.823 -0.356 0.000 0.648 173 V HN 0.712 nan 8.190 nan 0.000 0.447 174 Y N 1.991 121.939 120.300 -0.588 0.000 2.114 174 Y HA -0.234 4.316 4.550 -0.000 0.000 0.282 174 Y C 2.339 177.736 175.900 -0.839 0.000 1.165 174 Y CA 1.879 59.498 58.100 -0.801 0.000 1.148 174 Y CB -1.014 36.609 38.460 -1.395 0.000 0.972 174 Y HN 0.193 nan 8.280 nan 0.000 0.504 175 G N -0.215 107.850 108.800 -1.226 0.000 2.476 175 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.218 175 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.218 175 G C 1.352 175.772 174.900 -0.800 0.000 1.164 175 G CA 1.060 45.059 45.100 -1.834 0.000 0.768 175 G HN 0.543 nan 8.290 nan 0.000 0.560 176 W N 1.237 122.226 121.300 -0.518 0.000 2.358 176 W HA -0.011 4.649 4.660 -0.000 0.000 0.303 176 W C 2.426 178.762 176.519 -0.306 0.000 1.208 176 W CA 0.709 57.873 57.345 -0.303 0.000 1.274 176 W CB -1.072 28.261 29.460 -0.211 0.000 1.138 176 W HN 0.239 nan 8.180 nan 0.000 0.515 177 N N 0.163 118.784 118.700 -0.132 0.000 2.171 177 N HA -0.167 4.573 4.740 -0.000 0.000 0.184 177 N C 1.616 176.917 175.510 -0.349 0.000 1.021 177 N CA 1.167 54.130 53.050 -0.144 0.000 0.854 177 N CB -0.847 37.606 38.487 -0.056 0.000 0.994 177 N HN 0.294 nan 8.380 nan 0.000 0.426 178 N N 1.664 120.001 118.700 -0.605 0.000 2.058 178 N HA -0.130 4.610 4.740 -0.000 0.000 0.191 178 N C 1.722 177.096 175.510 -0.228 0.000 1.037 178 N CA 1.494 54.216 53.050 -0.546 0.000 0.848 178 N CB -0.024 37.874 38.487 -0.982 0.000 1.021 178 N HN 0.091 nan 8.380 nan 0.000 0.422 179 A N 1.724 124.455 122.820 -0.148 0.000 1.883 179 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 179 A C 2.289 179.851 177.584 -0.038 0.000 1.186 179 A CA 1.160 53.205 52.037 0.013 0.000 0.624 179 A CB -0.525 18.547 19.000 0.119 0.000 0.822 179 A HN 0.363 nan 8.150 nan 0.000 0.444 180 I N -0.138 120.348 120.570 -0.141 0.000 2.202 180 I HA -0.192 3.978 4.170 -0.000 0.000 0.242 180 I C 2.969 178.905 176.117 -0.302 0.000 1.091 180 I CA 1.398 62.561 61.300 -0.229 0.000 1.368 180 I CB -1.720 36.071 38.000 -0.348 0.000 1.058 180 I HN 0.357 nan 8.210 nan 0.000 0.410 181 A N 0.806 123.373 122.820 -0.421 0.000 1.908 181 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 181 A C 2.350 180.009 177.584 0.126 0.000 1.181 181 A CA 1.532 53.491 52.037 -0.130 0.000 0.627 181 A CB -0.452 18.551 19.000 0.005 0.000 0.818 181 A HN 0.272 nan 8.150 nan 0.000 0.445 182 M N -0.100 119.583 119.600 0.138 0.000 2.086 182 M HA -0.115 4.365 4.480 -0.000 0.000 0.261 182 M C 2.351 178.862 176.300 0.353 0.000 1.067 182 M CA 1.831 57.360 55.300 0.381 0.000 1.116 182 M CB -1.196 31.583 32.600 0.298 0.000 1.348 182 M HN 0.715 nan 8.290 nan 0.000 0.407 183 I N -2.344 118.307 120.570 0.136 0.000 2.493 183 I HA -0.190 3.980 4.170 -0.000 0.000 0.254 183 I C 1.982 178.077 176.117 -0.036 0.000 1.160 183 I CA 1.147 62.453 61.300 0.010 0.000 1.445 183 I CB -0.888 37.076 38.000 -0.060 0.000 1.086 183 I HN 0.097 nan 8.210 nan 0.000 0.433 184 C N 2.347 121.673 119.300 0.044 0.000 2.539 184 C HA 0.393 4.853 4.460 -0.000 0.000 0.271 184 C C 1.914 176.993 174.990 0.148 0.000 1.412 184 C CA 0.499 59.574 59.018 0.096 0.000 1.729 184 C CB -1.634 26.232 27.740 0.211 0.000 1.739 184 C HN 0.927 nan 8.230 nan 0.000 0.570 185 G N 1.512 110.379 108.800 0.111 0.000 2.132 185 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.234 185 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.234 185 G C -0.269 174.920 174.900 0.481 0.000 0.989 185 G CA -0.189 44.933 45.100 0.035 0.000 0.676 185 G HN 0.548 nan 8.290 nan 0.000 0.522 186 N N -0.157 118.900 118.700 0.595 0.000 2.489 186 N HA 0.601 5.341 4.740 -0.000 0.000 0.284 186 N C 0.590 176.470 175.510 0.618 0.000 1.158 186 N CA 0.242 53.671 53.050 0.632 0.000 0.965 186 N CB 2.309 41.039 38.487 0.406 0.000 1.195 186 N HN 0.664 nan 8.380 nan 0.000 0.506 187 V N -1.827 118.381 119.914 0.490 0.000 2.837 187 V HA 0.645 4.765 4.120 -0.000 0.000 0.310 187 V C 0.022 176.214 176.094 0.163 0.000 1.059 187 V CA -0.646 61.780 62.300 0.211 0.000 1.004 187 V CB 1.112 33.060 31.823 0.209 0.000 1.045 187 V HN 0.622 nan 8.190 nan 0.000 0.465 188 C N 3.622 122.986 119.300 0.107 0.000 2.561 188 C HA 0.833 5.293 4.460 -0.000 0.000 0.319 188 C C -0.485 174.609 174.990 0.174 0.000 1.198 188 C CA -0.482 58.628 59.018 0.153 0.000 1.665 188 C CB 0.942 28.773 27.740 0.153 0.000 2.258 188 C HN 0.977 nan 8.230 nan 0.000 0.493 189 L N 2.978 124.331 121.223 0.216 0.000 2.404 189 L HA 0.666 5.006 4.340 -0.000 0.000 0.272 189 L C -1.482 175.597 176.870 0.348 0.000 0.980 189 L CA -0.139 54.841 54.840 0.232 0.000 0.836 189 L CB 0.859 43.016 42.059 0.162 0.000 1.238 189 L HN 0.821 nan 8.230 nan 0.000 0.408 190 W N 6.240 127.612 121.300 0.119 0.000 2.478 190 W HA 0.524 5.184 4.660 -0.000 0.000 0.318 190 W C -0.862 175.682 176.519 0.043 0.000 1.062 190 W CA -1.078 56.315 57.345 0.081 0.000 1.210 190 W CB 1.210 30.586 29.460 -0.140 0.000 1.325 190 W HN 0.601 nan 8.180 nan 0.000 0.496 191 K N 5.142 125.713 120.400 0.285 0.000 2.521 191 K HA 0.468 4.788 4.320 -0.000 0.000 0.248 191 K C 0.238 176.795 176.600 -0.072 0.000 0.978 191 K CA -0.372 55.917 56.287 0.002 0.000 0.947 191 K CB 0.448 33.002 32.500 0.090 0.000 1.165 191 K HN 0.714 nan 8.250 nan 0.000 0.445 192 G N 1.710 110.221 108.800 -0.482 0.000 2.621 192 G HA2 0.427 4.387 3.960 -0.000 0.000 0.271 192 G HA3 0.427 4.387 3.960 -0.000 0.000 0.271 192 G C -0.495 174.340 174.900 -0.107 0.000 1.236 192 G CA -0.614 44.304 45.100 -0.303 0.000 0.958 192 G HN 0.694 nan 8.290 nan 0.000 0.512 193 A N 0.457 123.271 122.820 -0.011 0.000 2.520 193 A HA 0.431 4.751 4.320 -0.000 0.000 0.245 193 A C -0.937 176.660 177.584 0.021 0.000 1.072 193 A CA -0.636 51.430 52.037 0.048 0.000 0.761 193 A CB 0.352 19.436 19.000 0.139 0.000 1.004 193 A HN 0.393 nan 8.150 nan 0.000 0.499 194 P HA -0.150 nan 4.420 nan 0.000 0.218 194 P C 1.444 178.766 177.300 0.037 0.000 1.148 194 P CA 2.078 65.186 63.100 0.013 0.000 0.822 194 P CB -0.038 31.675 31.700 0.020 0.000 0.784 195 T N -5.146 109.466 114.554 0.097 0.000 3.160 195 T HA 0.004 4.354 4.350 -0.000 0.000 0.257 195 T C 0.956 175.768 174.700 0.187 0.000 1.147 195 T CA 1.101 63.284 62.100 0.139 0.000 1.064 195 T CB -1.169 67.822 68.868 0.205 0.000 0.949 195 T HN 0.186 nan 8.240 nan 0.000 0.526 196 T N -2.160 112.465 114.554 0.118 0.000 3.380 196 T HA 0.387 4.737 4.350 -0.000 0.000 0.289 196 T C 1.387 176.070 174.700 -0.029 0.000 1.012 196 T CA -0.388 61.755 62.100 0.073 0.000 0.944 196 T CB 0.049 68.968 68.868 0.086 0.000 1.172 196 T HN 0.114 nan 8.240 nan 0.000 0.502 197 S N 1.480 117.150 115.700 -0.049 0.000 2.383 197 S HA -0.002 4.468 4.470 -0.000 0.000 0.229 197 S C 1.819 176.355 174.600 -0.108 0.000 1.030 197 S CA 1.074 59.208 58.200 -0.110 0.000 1.002 197 S CB -0.410 62.742 63.200 -0.080 0.000 0.829 197 S HN 0.528 nan 8.310 nan 0.000 0.467 198 L N 0.805 121.984 121.223 -0.072 0.000 2.046 198 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 198 L C 2.195 179.039 176.870 -0.043 0.000 1.077 198 L CA 1.105 55.903 54.840 -0.069 0.000 0.747 198 L CB -0.632 41.379 42.059 -0.081 0.000 0.896 198 L HN 0.290 nan 8.230 nan 0.000 0.432 199 I N -0.608 119.952 120.570 -0.017 0.000 2.163 199 I HA -0.307 3.863 4.170 -0.000 0.000 0.243 199 I C 2.631 178.754 176.117 0.011 0.000 1.085 199 I CA 1.369 62.689 61.300 0.033 0.000 1.347 199 I CB -0.305 37.737 38.000 0.071 0.000 1.044 199 I HN 0.179 nan 8.210 nan 0.000 0.408 200 S N 0.252 115.845 115.700 -0.178 0.000 2.370 200 S HA -0.147 4.323 4.470 -0.000 0.000 0.226 200 S C 2.108 176.571 174.600 -0.228 0.000 1.033 200 S CA 1.288 59.157 58.200 -0.551 0.000 1.011 200 S CB -0.408 62.157 63.200 -1.057 0.000 0.852 200 S HN 0.230 nan 8.310 nan 0.000 0.457 201 V N 1.992 121.843 119.914 -0.106 0.000 2.295 201 V HA -0.203 3.917 4.120 -0.000 0.000 0.246 201 V C 2.676 178.819 176.094 0.081 0.000 1.049 201 V CA 1.721 64.048 62.300 0.046 0.000 1.024 201 V CB -1.217 30.607 31.823 0.001 0.000 0.648 201 V HN 0.548 nan 8.190 nan 0.000 0.447 202 A N -0.294 122.549 122.820 0.038 0.000 1.877 202 A HA -0.167 4.153 4.320 -0.000 0.000 0.216 202 A C 2.383 180.039 177.584 0.120 0.000 1.186 202 A CA 2.118 54.187 52.037 0.053 0.000 0.620 202 A CB -0.736 18.296 19.000 0.054 0.000 0.822 202 A HN 0.331 nan 8.150 nan 0.000 0.443 203 V N -0.189 119.840 119.914 0.192 0.000 2.343 203 V HA -0.233 3.887 4.120 -0.000 0.000 0.247 203 V C 2.737 178.995 176.094 0.274 0.000 1.051 203 V CA 2.473 64.942 62.300 0.280 0.000 1.036 203 V CB -1.272 30.826 31.823 0.457 0.000 0.654 203 V HN 0.616 nan 8.190 nan 0.000 0.451 204 T N -0.405 114.320 114.554 0.284 0.000 2.746 204 T HA -0.207 4.143 4.350 -0.000 0.000 0.267 204 T C 1.923 176.731 174.700 0.179 0.000 1.039 204 T CA 1.489 63.730 62.100 0.234 0.000 1.142 204 T CB -0.224 68.771 68.868 0.212 0.000 0.866 204 T HN 0.485 nan 8.240 nan 0.000 0.444 205 K N 0.617 121.160 120.400 0.239 0.000 2.063 205 K HA -0.028 4.292 4.320 -0.000 0.000 0.208 205 K C 2.175 178.816 176.600 0.069 0.000 1.048 205 K CA 1.211 57.587 56.287 0.149 0.000 0.928 205 K CB -0.358 32.136 32.500 -0.010 0.000 0.713 205 K HN 0.342 nan 8.250 nan 0.000 0.442 206 I N 0.870 121.483 120.570 0.072 0.000 2.179 206 I HA -0.295 3.875 4.170 -0.000 0.000 0.242 206 I C 2.253 178.394 176.117 0.041 0.000 1.088 206 I CA 1.365 62.693 61.300 0.046 0.000 1.357 206 I CB -0.265 37.761 38.000 0.044 0.000 1.051 206 I HN 0.113 nan 8.210 nan 0.000 0.409 207 I N 0.677 121.288 120.570 0.069 0.000 2.252 207 I HA -0.264 3.906 4.170 -0.000 0.000 0.245 207 I C 2.820 178.957 176.117 0.032 0.000 1.102 207 I CA 1.241 62.581 61.300 0.067 0.000 1.385 207 I CB -0.523 37.561 38.000 0.139 0.000 1.064 207 I HN 0.176 nan 8.210 nan 0.000 0.414 208 A N 0.851 123.654 122.820 -0.029 0.000 1.917 208 A HA -0.302 4.018 4.320 -0.000 0.000 0.219 208 A C 2.385 179.981 177.584 0.020 0.000 1.182 208 A CA 2.178 54.157 52.037 -0.097 0.000 0.633 208 A CB -0.612 18.090 19.000 -0.497 0.000 0.819 208 A HN 0.373 nan 8.150 nan 0.000 0.448 209 K N -0.405 120.011 120.400 0.027 0.000 2.057 209 K HA -0.107 4.213 4.320 -0.000 0.000 0.207 209 K C 1.816 178.441 176.600 0.041 0.000 1.049 209 K CA 1.628 57.941 56.287 0.042 0.000 0.931 209 K CB -0.279 32.239 32.500 0.030 0.000 0.714 209 K HN 0.253 nan 8.250 nan 0.000 0.440 210 V N 1.724 121.658 119.914 0.033 0.000 2.295 210 V HA -0.271 3.849 4.120 -0.000 0.000 0.246 210 V C 2.344 178.463 176.094 0.041 0.000 1.049 210 V CA 1.692 64.011 62.300 0.032 0.000 1.024 210 V CB -0.410 31.427 31.823 0.024 0.000 0.648 210 V HN 0.324 nan 8.190 nan 0.000 0.447 211 L N -0.336 120.911 121.223 0.041 0.000 2.012 211 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 211 L C 2.631 179.536 176.870 0.060 0.000 1.073 211 L CA 1.916 56.780 54.840 0.039 0.000 0.748 211 L CB -0.693 41.386 42.059 0.033 0.000 0.891 211 L HN 0.383 nan 8.230 nan 0.000 0.431 212 E N -0.040 120.208 120.200 0.079 0.000 2.058 212 E HA -0.239 4.111 4.350 -0.000 0.000 0.194 212 E C 1.795 178.432 176.600 0.062 0.000 0.997 212 E CA 1.417 57.867 56.400 0.083 0.000 0.801 212 E CB -0.105 29.659 29.700 0.107 0.000 0.746 212 E HN 0.434 nan 8.360 nan 0.000 0.450 213 D N 0.402 120.834 120.400 0.053 0.000 2.182 213 D HA -0.103 4.537 4.640 -0.000 0.000 0.201 213 D C 1.192 177.518 176.300 0.043 0.000 0.986 213 D CA 0.769 54.795 54.000 0.043 0.000 0.847 213 D CB -0.216 40.606 40.800 0.036 0.000 0.942 213 D HN 0.124 nan 8.370 nan 0.000 0.467 214 N N 0.601 119.331 118.700 0.049 0.000 2.322 214 N HA -0.000 4.740 4.740 -0.000 0.000 0.194 214 N C -0.192 175.353 175.510 0.057 0.000 1.126 214 N CA 0.081 53.164 53.050 0.055 0.000 0.845 214 N CB 0.492 39.020 38.487 0.069 0.000 0.976 214 N HN 0.180 nan 8.380 nan 0.000 0.475 215 K N 0.423 120.854 120.400 0.052 0.000 3.096 215 K HA -0.164 4.156 4.320 -0.000 0.000 0.266 215 K C -0.759 175.874 176.600 0.055 0.000 1.043 215 K CA 0.525 56.841 56.287 0.049 0.000 0.758 215 K CB -1.533 30.991 32.500 0.041 0.000 1.260 215 K HN 0.260 nan 8.250 nan 0.000 0.481 216 L N 0.761 122.019 121.223 0.058 0.000 2.342 216 L HA 0.481 4.821 4.340 -0.000 0.000 0.271 216 L C -1.897 174.989 176.870 0.028 0.000 1.008 216 L CA -2.438 52.437 54.840 0.058 0.000 0.818 216 L CB 1.320 43.423 42.059 0.074 0.000 1.296 216 L HN -0.129 nan 8.230 nan 0.000 0.427 217 P HA 0.007 nan 4.420 nan 0.000 0.267 217 P C 0.682 177.954 177.300 -0.047 0.000 1.209 217 P CA -0.014 63.075 63.100 -0.019 0.000 0.763 217 P CB 0.996 32.683 31.700 -0.021 0.000 0.816 218 G N 3.497 112.277 108.800 -0.034 0.000 2.462 218 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.220 218 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.220 218 G C 1.448 176.289 174.900 -0.099 0.000 1.121 218 G CA 0.714 45.829 45.100 0.025 0.000 0.758 218 G HN 0.597 nan 8.290 nan 0.000 0.559 219 A N 0.392 123.088 122.820 -0.206 0.000 2.216 219 A HA 0.189 4.509 4.320 -0.000 0.000 0.214 219 A C 2.201 179.727 177.584 -0.098 0.000 1.160 219 A CA 0.565 52.492 52.037 -0.183 0.000 0.725 219 A CB -0.299 18.604 19.000 -0.161 0.000 0.784 219 A HN 0.410 nan 8.150 nan 0.000 0.472 220 I N -0.995 119.492 120.570 -0.137 0.000 2.315 220 I HA -0.273 3.897 4.170 -0.000 0.000 0.251 220 I C 0.374 176.404 176.117 -0.145 0.000 1.125 220 I CA 0.711 61.858 61.300 -0.255 0.000 1.392 220 I CB -0.169 37.476 38.000 -0.592 0.000 1.065 220 I HN 0.316 nan 8.210 nan 0.000 0.424 221 C N 0.973 120.256 119.300 -0.028 0.000 3.169 221 C HA 0.370 4.829 4.460 -0.000 0.000 0.232 221 C C 0.682 175.779 174.990 0.179 0.000 1.316 221 C CA -0.893 58.192 59.018 0.112 0.000 1.545 221 C CB -0.897 26.931 27.740 0.148 0.000 1.785 221 C HN 0.176 nan 8.230 nan 0.000 0.454 222 S N 1.427 117.194 115.700 0.113 0.000 2.592 222 S HA 0.601 5.071 4.470 -0.000 0.000 0.271 222 S C -0.381 174.306 174.600 0.144 0.000 1.326 222 S CA -0.263 57.975 58.200 0.064 0.000 1.024 222 S CB 1.044 64.232 63.200 -0.021 0.000 0.921 222 S HN 0.580 nan 8.310 nan 0.000 0.527 223 L N 2.638 123.906 121.223 0.074 0.000 2.385 223 L HA 0.621 4.961 4.340 -0.000 0.000 0.273 223 L C -0.463 176.417 176.870 0.016 0.000 0.990 223 L CA -0.069 54.806 54.840 0.059 0.000 0.821 223 L CB 1.883 43.946 42.059 0.006 0.000 1.279 223 L HN 0.748 nan 8.230 nan 0.000 0.412 224 T N 1.067 115.641 114.554 0.034 0.000 3.068 224 T HA 0.367 4.717 4.350 -0.000 0.000 0.364 224 T C -0.113 174.586 174.700 -0.002 0.000 1.161 224 T CA -0.472 61.656 62.100 0.048 0.000 1.155 224 T CB -0.223 68.736 68.868 0.152 0.000 1.060 224 T HN 0.620 nan 8.240 nan 0.000 0.513 225 C N 2.978 122.250 119.300 -0.047 0.000 2.634 225 C HA 0.747 5.207 4.460 -0.000 0.000 0.418 225 C C 1.492 176.462 174.990 -0.033 0.000 1.373 225 C CA 0.731 59.698 59.018 -0.085 0.000 1.756 225 C CB -0.826 26.863 27.740 -0.084 0.000 2.589 225 C HN 1.257 nan 8.230 nan 0.000 0.602 226 G N 1.976 110.753 108.800 -0.038 0.000 2.340 226 G HA2 0.608 4.568 3.960 -0.000 0.000 0.299 226 G HA3 0.608 4.568 3.960 -0.000 0.000 0.299 226 G C -0.460 174.434 174.900 -0.010 0.000 1.291 226 G CA 0.125 45.215 45.100 -0.016 0.000 0.841 226 G HN 0.966 nan 8.290 nan 0.000 0.500 227 G N -1.304 107.495 108.800 -0.002 0.000 3.019 227 G HA2 0.643 4.603 3.960 -0.000 0.000 0.152 227 G HA3 0.643 4.603 3.960 -0.000 0.000 0.152 227 G C 1.547 176.458 174.900 0.018 0.000 1.320 227 G CA 0.882 45.990 45.100 0.013 0.000 1.013 227 G HN 1.599 nan 8.290 nan 0.000 0.593 228 A N -0.260 122.574 122.820 0.023 0.000 1.940 228 A HA -0.048 4.272 4.320 -0.000 0.000 0.219 228 A C 1.961 179.539 177.584 -0.009 0.000 1.176 228 A CA 2.438 54.489 52.037 0.023 0.000 0.631 228 A CB -0.640 18.372 19.000 0.021 0.000 0.814 228 A HN 0.443 nan 8.150 nan 0.000 0.446 229 D N 0.101 120.487 120.400 -0.025 0.000 2.092 229 D HA -0.141 4.499 4.640 -0.000 0.000 0.193 229 D C 1.870 178.107 176.300 -0.105 0.000 0.994 229 D CA 1.140 55.108 54.000 -0.054 0.000 0.828 229 D CB -0.268 40.505 40.800 -0.045 0.000 0.963 229 D HN 0.347 nan 8.370 nan 0.000 0.450 230 I N 0.770 121.279 120.570 -0.102 0.000 2.315 230 I HA -0.111 4.059 4.170 -0.000 0.000 0.248 230 I C 2.467 178.488 176.117 -0.159 0.000 1.117 230 I CA 1.085 62.277 61.300 -0.181 0.000 1.404 230 I CB -1.386 36.564 38.000 -0.084 0.000 1.071 230 I HN -0.004 nan 8.210 nan 0.000 0.419 231 G N 0.397 109.173 108.800 -0.041 0.000 2.418 231 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.217 231 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.217 231 G C 1.673 176.566 174.900 -0.011 0.000 1.158 231 G CA 1.305 46.422 45.100 0.029 0.000 0.771 231 G HN 0.310 nan 8.290 nan 0.000 0.545 232 T N 1.721 116.247 114.554 -0.046 0.000 2.746 232 T HA 0.015 4.365 4.350 -0.000 0.000 0.267 232 T C 2.830 177.474 174.700 -0.094 0.000 1.039 232 T CA 1.482 63.545 62.100 -0.062 0.000 1.142 232 T CB -0.406 68.428 68.868 -0.058 0.000 0.866 232 T HN 0.373 nan 8.240 nan 0.000 0.444 233 A N 1.540 124.253 122.820 -0.179 0.000 1.917 233 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 233 A C 2.330 179.810 177.584 -0.174 0.000 1.182 233 A CA 1.858 53.737 52.037 -0.264 0.000 0.633 233 A CB -0.754 17.885 19.000 -0.602 0.000 0.819 233 A HN 0.489 nan 8.150 nan 0.000 0.448 234 M N -0.638 118.876 119.600 -0.144 0.000 2.117 234 M HA -0.114 4.366 4.480 -0.000 0.000 0.262 234 M C 2.461 178.801 176.300 0.066 0.000 1.065 234 M CA 1.413 56.757 55.300 0.073 0.000 1.114 234 M CB -0.366 32.312 32.600 0.131 0.000 1.361 234 M HN 0.459 nan 8.290 nan 0.000 0.408 235 A N 0.387 123.219 122.820 0.020 0.000 2.015 235 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 235 A C 2.009 179.590 177.584 -0.005 0.000 1.163 235 A CA 1.439 53.478 52.037 0.003 0.000 0.646 235 A CB -0.391 18.586 19.000 -0.037 0.000 0.806 235 A HN 0.453 nan 8.150 nan 0.000 0.448 236 K N -0.397 119.999 120.400 -0.006 0.000 2.393 236 K HA 0.031 4.351 4.320 -0.000 0.000 0.193 236 K C -0.365 176.252 176.600 0.028 0.000 1.026 236 K CA 0.033 56.319 56.287 -0.002 0.000 1.064 236 K CB 0.246 32.737 32.500 -0.016 0.000 0.833 236 K HN 0.266 nan 8.250 nan 0.000 0.521 237 D N 2.050 122.488 120.400 0.062 0.000 2.365 237 D HA 0.020 4.660 4.640 -0.000 0.000 0.237 237 D C 0.488 176.831 176.300 0.072 0.000 1.190 237 D CA 0.128 54.188 54.000 0.100 0.000 0.867 237 D CB 0.891 41.810 40.800 0.199 0.000 1.050 237 D HN 0.058 nan 8.370 nan 0.000 0.491 238 E N 2.407 122.639 120.200 0.053 0.000 2.267 238 E HA -0.183 4.167 4.350 -0.000 0.000 0.197 238 E C 1.298 177.915 176.600 0.027 0.000 0.998 238 E CA 0.704 57.128 56.400 0.039 0.000 0.830 238 E CB 0.279 30.001 29.700 0.035 0.000 0.751 238 E HN 0.441 nan 8.360 nan 0.000 0.491 239 R N 0.349 120.867 120.500 0.030 0.000 2.276 239 R HA 0.023 4.363 4.340 -0.000 0.000 0.203 239 R C 0.319 176.620 176.300 0.002 0.000 1.017 239 R CA 0.160 56.261 56.100 0.002 0.000 1.010 239 R CB 0.345 30.642 30.300 -0.006 0.000 0.900 239 R HN -0.087 nan 8.270 nan 0.000 0.469 240 V N 2.467 122.406 119.914 0.042 0.000 2.322 240 V HA 0.051 4.171 4.120 -0.000 0.000 0.258 240 V C 0.326 176.443 176.094 0.039 0.000 1.074 240 V CA -0.158 62.176 62.300 0.057 0.000 0.909 240 V CB 0.889 32.779 31.823 0.111 0.000 1.090 240 V HN 0.265 nan 8.190 nan 0.000 0.486 241 N N 3.289 121.995 118.700 0.011 0.000 2.188 241 N HA -0.009 4.731 4.740 -0.000 0.000 0.184 241 N C 0.182 175.709 175.510 0.029 0.000 1.018 241 N CA 0.730 53.782 53.050 0.003 0.000 0.858 241 N CB 0.152 38.615 38.487 -0.040 0.000 0.989 241 N HN 0.527 nan 8.380 nan 0.000 0.426 242 L N 0.287 121.538 121.223 0.047 0.000 2.410 242 L HA 0.538 4.878 4.340 -0.000 0.000 0.270 242 L C -1.827 175.088 176.870 0.074 0.000 0.983 242 L CA -1.007 53.860 54.840 0.045 0.000 0.822 242 L CB 1.655 43.732 42.059 0.031 0.000 1.285 242 L HN -0.109 nan 8.230 nan 0.000 0.409 243 L N 4.000 125.266 121.223 0.072 0.000 2.294 243 L HA 0.598 4.937 4.340 -0.000 0.000 0.283 243 L C -0.390 176.554 176.870 0.123 0.000 1.015 243 L CA 0.227 55.136 54.840 0.115 0.000 0.831 243 L CB 1.450 43.578 42.059 0.115 0.000 1.217 243 L HN 0.727 nan 8.230 nan 0.000 0.420 244 S N 5.431 121.222 115.700 0.151 0.000 2.430 244 S HA 0.525 4.995 4.470 -0.000 0.000 0.289 244 S C -0.886 173.849 174.600 0.225 0.000 1.143 244 S CA -0.360 57.935 58.200 0.158 0.000 1.067 244 S CB -0.063 63.233 63.200 0.160 0.000 0.964 244 S HN 0.447 nan 8.310 nan 0.000 0.485 245 F N 4.363 124.363 119.950 0.083 0.000 2.477 245 F HA 0.532 5.059 4.527 -0.000 0.000 0.335 245 F C -0.363 175.492 175.800 0.091 0.000 1.130 245 F CA -0.256 57.797 58.000 0.087 0.000 0.948 245 F CB 1.829 40.864 39.000 0.059 0.000 1.154 245 F HN 0.422 nan 8.300 nan 0.000 0.439 246 T N 4.842 119.078 114.554 -0.530 0.000 2.786 246 T HA 0.804 5.154 4.350 -0.000 0.000 0.283 246 T C -0.101 174.191 174.700 -0.680 0.000 0.992 246 T CA -0.314 61.581 62.100 -0.342 0.000 0.954 246 T CB 1.172 69.976 68.868 -0.106 0.000 0.934 246 T HN 1.072 nan 8.240 nan 0.000 0.440 247 G N 1.703 110.315 108.800 -0.313 0.000 2.336 247 G HA2 0.443 4.403 3.960 -0.000 0.000 0.286 247 G HA3 0.443 4.403 3.960 -0.000 0.000 0.286 247 G C -0.570 174.420 174.900 0.150 0.000 1.269 247 G CA -0.435 44.574 45.100 -0.152 0.000 0.873 247 G HN 0.881 nan 8.290 nan 0.000 0.494 248 S N -0.674 115.134 115.700 0.179 0.000 2.579 248 S HA 0.378 4.848 4.470 -0.000 0.000 0.275 248 S C 1.407 176.117 174.600 0.183 0.000 1.345 248 S CA 1.061 59.337 58.200 0.128 0.000 1.031 248 S CB 1.228 64.485 63.200 0.095 0.000 0.892 248 S HN 0.845 nan 8.310 nan 0.000 0.529 249 T N 1.339 115.967 114.554 0.124 0.000 2.746 249 T HA -0.193 4.157 4.350 -0.000 0.000 0.267 249 T C 1.877 176.598 174.700 0.036 0.000 1.039 249 T CA 1.841 63.997 62.100 0.092 0.000 1.142 249 T CB -0.511 68.427 68.868 0.117 0.000 0.866 249 T HN 0.799 nan 8.240 nan 0.000 0.444 250 Q N 0.408 120.238 119.800 0.049 0.000 2.061 250 Q HA -0.138 4.202 4.340 -0.000 0.000 0.204 250 Q C 2.309 178.294 176.000 -0.024 0.000 0.984 250 Q CA 1.616 57.429 55.803 0.017 0.000 0.846 250 Q CB -0.201 28.561 28.738 0.039 0.000 0.902 250 Q HN 0.382 nan 8.270 nan 0.000 0.421 251 V N 0.257 120.171 119.914 0.000 0.000 2.379 251 V HA -0.145 3.975 4.120 -0.000 0.000 0.245 251 V C 2.354 178.244 176.094 -0.340 0.000 1.044 251 V CA 1.716 63.970 62.300 -0.076 0.000 1.036 251 V CB -1.164 30.714 31.823 0.093 0.000 0.664 251 V HN 0.629 nan 8.190 nan 0.000 0.453 252 G N -0.152 108.445 108.800 -0.338 0.000 2.469 252 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.219 252 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.219 252 G C 1.632 176.339 174.900 -0.323 0.000 1.150 252 G CA 1.252 46.043 45.100 -0.516 0.000 0.763 252 G HN 0.495 nan 8.290 nan 0.000 0.561 253 K N -0.327 119.957 120.400 -0.195 0.000 2.063 253 K HA -0.168 4.152 4.320 -0.000 0.000 0.208 253 K C 2.618 179.114 176.600 -0.173 0.000 1.048 253 K CA 1.483 57.669 56.287 -0.168 0.000 0.928 253 K CB -0.091 32.323 32.500 -0.142 0.000 0.713 253 K HN 0.197 nan 8.250 nan 0.000 0.442 254 Q N 0.259 119.950 119.800 -0.182 0.000 2.079 254 Q HA -0.096 4.244 4.340 -0.000 0.000 0.200 254 Q C 2.293 178.180 176.000 -0.189 0.000 0.974 254 Q CA 1.100 56.808 55.803 -0.159 0.000 0.840 254 Q CB -0.414 28.247 28.738 -0.128 0.000 0.898 254 Q HN 0.189 nan 8.270 nan 0.000 0.430 255 V N 0.794 120.533 119.914 -0.293 0.000 2.287 255 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 255 V C 2.327 178.303 176.094 -0.196 0.000 1.053 255 V CA 2.100 64.224 62.300 -0.293 0.000 1.027 255 V CB -1.264 30.225 31.823 -0.558 0.000 0.646 255 V HN 0.469 nan 8.190 nan 0.000 0.447 256 G N -0.593 108.088 108.800 -0.199 0.000 2.422 256 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.218 256 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.218 256 G C 1.594 176.422 174.900 -0.120 0.000 1.146 256 G CA 0.902 45.922 45.100 -0.133 0.000 0.769 256 G HN 0.469 nan 8.290 nan 0.000 0.547 257 L N -0.260 120.887 121.223 -0.127 0.000 2.056 257 L HA -0.006 4.334 4.340 -0.000 0.000 0.207 257 L C 3.094 179.895 176.870 -0.116 0.000 1.078 257 L CA 0.912 55.682 54.840 -0.117 0.000 0.749 257 L CB -0.303 41.692 42.059 -0.106 0.000 0.901 257 L HN 0.222 nan 8.230 nan 0.000 0.433 258 M N -1.092 118.443 119.600 -0.108 0.000 2.117 258 M HA -0.189 4.291 4.480 -0.000 0.000 0.262 258 M C 2.286 178.533 176.300 -0.088 0.000 1.065 258 M CA 1.399 56.644 55.300 -0.091 0.000 1.114 258 M CB -0.406 32.147 32.600 -0.079 0.000 1.361 258 M HN 0.074 nan 8.290 nan 0.000 0.408 259 V N 0.086 119.949 119.914 -0.084 0.000 2.358 259 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 259 V C 2.336 178.368 176.094 -0.104 0.000 1.047 259 V CA 2.004 64.265 62.300 -0.066 0.000 1.035 259 V CB -0.765 31.033 31.823 -0.042 0.000 0.658 259 V HN 0.456 nan 8.190 nan 0.000 0.452 260 Q N 0.890 120.605 119.800 -0.141 0.000 2.124 260 Q HA -0.256 4.084 4.340 -0.000 0.000 0.202 260 Q C 2.043 177.813 176.000 -0.385 0.000 0.977 260 Q CA 2.248 57.913 55.803 -0.230 0.000 0.850 260 Q CB -0.440 28.184 28.738 -0.191 0.000 0.901 260 Q HN 0.678 nan 8.270 nan 0.000 0.429 261 E N 0.580 120.621 120.200 -0.265 0.000 2.171 261 E HA -0.229 4.121 4.350 -0.000 0.000 0.197 261 E C 1.294 177.737 176.600 -0.263 0.000 0.997 261 E CA 1.857 58.102 56.400 -0.258 0.000 0.810 261 E CB -0.158 29.455 29.700 -0.145 0.000 0.738 261 E HN 0.588 nan 8.360 nan 0.000 0.467 262 R N -1.239 119.155 120.500 -0.178 0.000 2.427 262 R HA 0.182 4.522 4.340 -0.000 0.000 0.262 262 R C -0.212 176.124 176.300 0.060 0.000 0.943 262 R CA 0.135 56.207 56.100 -0.047 0.000 1.081 262 R CB -0.445 29.852 30.300 -0.004 0.000 1.166 262 R HN -0.029 nan 8.270 nan 0.000 0.534 263 F N 0.699 120.642 119.950 -0.012 0.000 3.090 263 F HA -0.221 4.306 4.527 -0.000 0.000 0.282 263 F C 0.948 176.742 175.800 -0.011 0.000 0.923 263 F CA 0.942 58.935 58.000 -0.013 0.000 0.977 263 F CB -1.668 37.325 39.000 -0.012 0.000 0.954 263 F HN 0.409 nan 8.300 nan 0.000 0.695 264 G N 0.210 109.063 108.800 0.089 0.000 2.563 264 G HA2 0.627 4.587 3.960 -0.000 0.000 0.283 264 G HA3 0.627 4.587 3.960 -0.000 0.000 0.283 264 G C -0.051 174.879 174.900 0.051 0.000 1.309 264 G CA -0.991 44.147 45.100 0.063 0.000 1.022 264 G HN 0.209 nan 8.290 nan 0.000 0.501 265 R N -0.319 120.202 120.500 0.035 0.000 2.460 265 R HA 0.510 4.850 4.340 -0.000 0.000 0.303 265 R C -0.452 175.852 176.300 0.008 0.000 0.968 265 R CA -0.406 55.706 56.100 0.020 0.000 0.889 265 R CB 1.746 32.055 30.300 0.015 0.000 1.123 265 R HN 0.624 nan 8.270 nan 0.000 0.455 266 S N 2.341 118.039 115.700 -0.004 0.000 2.566 266 S HA 0.577 5.047 4.470 -0.000 0.000 0.298 266 S C -0.564 174.029 174.600 -0.011 0.000 1.083 266 S CA -0.965 57.237 58.200 0.003 0.000 0.978 266 S CB 1.819 65.017 63.200 -0.002 0.000 1.073 266 S HN 0.580 nan 8.310 nan 0.000 0.491 267 L N 2.783 124.012 121.223 0.009 0.000 2.377 267 L HA 0.561 4.901 4.340 -0.000 0.000 0.270 267 L C -1.852 175.069 176.870 0.084 0.000 0.991 267 L CA -0.822 54.018 54.840 -0.000 0.000 0.851 267 L CB 0.706 42.721 42.059 -0.073 0.000 1.218 267 L HN 0.735 nan 8.230 nan 0.000 0.420 268 L N 4.751 126.023 121.223 0.082 0.000 2.296 268 L HA 0.541 4.881 4.340 -0.000 0.000 0.286 268 L C -0.357 176.593 176.870 0.133 0.000 1.023 268 L CA -0.548 54.380 54.840 0.146 0.000 0.812 268 L CB 1.637 43.751 42.059 0.091 0.000 1.223 268 L HN 0.512 nan 8.230 nan 0.000 0.421 269 E N 5.700 126.012 120.200 0.188 0.000 2.437 269 E HA 0.446 4.796 4.350 -0.000 0.000 0.238 269 E C -0.617 176.085 176.600 0.169 0.000 0.969 269 E CA -0.139 56.357 56.400 0.159 0.000 0.759 269 E CB 1.945 31.760 29.700 0.190 0.000 1.283 269 E HN 0.531 nan 8.360 nan 0.000 0.416 270 L N -0.303 121.008 121.223 0.148 0.000 2.755 270 L HA 0.643 4.983 4.340 -0.000 0.000 0.243 270 L C 1.179 178.126 176.870 0.128 0.000 1.579 270 L CA -1.213 53.722 54.840 0.158 0.000 1.669 270 L CB 0.039 42.191 42.059 0.155 0.000 2.294 270 L HN 0.333 nan 8.230 nan 0.000 0.588 271 G N -1.206 107.671 108.800 0.128 0.000 2.572 271 G HA2 0.498 4.458 3.960 -0.000 0.000 0.261 271 G HA3 0.498 4.458 3.960 -0.000 0.000 0.261 271 G C -0.546 174.441 174.900 0.146 0.000 1.197 271 G CA 0.066 45.246 45.100 0.134 0.000 0.870 271 G HN 0.681 nan 8.290 nan 0.000 0.548 272 G N -0.942 107.970 108.800 0.186 0.000 2.533 272 G HA2 0.445 4.405 3.960 -0.000 0.000 0.304 272 G HA3 0.445 4.405 3.960 -0.000 0.000 0.304 272 G C -0.896 174.116 174.900 0.188 0.000 1.263 272 G CA -0.600 44.603 45.100 0.171 0.000 0.964 272 G HN 0.622 nan 8.290 nan 0.000 0.479 273 N N 0.467 119.262 118.700 0.158 0.000 2.697 273 N HA 0.077 4.817 4.740 -0.000 0.000 0.253 273 N C -0.957 174.663 175.510 0.183 0.000 1.604 273 N CA -0.546 52.609 53.050 0.176 0.000 0.772 273 N CB 0.184 38.753 38.487 0.136 0.000 1.267 273 N HN 0.425 nan 8.380 nan 0.000 0.510 274 N N 0.592 119.409 118.700 0.195 0.000 2.488 274 N HA 0.365 5.105 4.740 -0.000 0.000 0.274 274 N C -0.379 175.282 175.510 0.252 0.000 1.111 274 N CA -0.140 53.030 53.050 0.199 0.000 0.974 274 N CB 1.796 40.391 38.487 0.181 0.000 1.089 274 N HN 0.387 nan 8.380 nan 0.000 0.465 275 A N 2.764 125.762 122.820 0.297 0.000 2.305 275 A HA 0.606 4.926 4.320 -0.000 0.000 0.322 275 A C 0.122 177.923 177.584 0.362 0.000 1.187 275 A CA -0.652 51.622 52.037 0.395 0.000 0.825 275 A CB 0.466 19.789 19.000 0.538 0.000 1.164 275 A HN 0.675 nan 8.150 nan 0.000 0.498 276 I N 2.351 123.134 120.570 0.356 0.000 2.412 276 I HA 0.373 4.543 4.170 -0.000 0.000 0.296 276 I C -0.670 175.659 176.117 0.352 0.000 0.987 276 I CA -0.258 61.247 61.300 0.342 0.000 1.180 276 I CB 1.571 39.744 38.000 0.287 0.000 1.340 276 I HN 0.481 nan 8.210 nan 0.000 0.455 277 I N 5.624 126.351 120.570 0.262 0.000 2.410 277 I HA 0.471 4.641 4.170 -0.000 0.000 0.286 277 I C -0.060 176.173 176.117 0.193 0.000 1.009 277 I CA -0.485 60.892 61.300 0.128 0.000 1.111 277 I CB 1.806 39.674 38.000 -0.221 0.000 1.262 277 I HN 0.576 nan 8.210 nan 0.000 0.443 278 A N 7.062 130.026 122.820 0.240 0.000 2.256 278 A HA 0.686 5.006 4.320 -0.000 0.000 0.317 278 A C -0.662 177.088 177.584 0.277 0.000 1.318 278 A CA -0.302 51.897 52.037 0.271 0.000 0.894 278 A CB 0.048 19.139 19.000 0.150 0.000 1.165 278 A HN 0.532 nan 8.150 nan 0.000 0.525 279 F N 0.467 120.625 119.950 0.345 0.000 2.403 279 F HA 0.203 4.730 4.527 -0.000 0.000 0.320 279 F C 1.780 177.622 175.800 0.070 0.000 1.176 279 F CA 0.274 58.438 58.000 0.274 0.000 1.206 279 F CB 0.873 39.977 39.000 0.174 0.000 1.235 279 F HN 0.822 nan 8.300 nan 0.000 0.565 280 E N 0.626 120.847 120.200 0.035 0.000 2.209 280 E HA -0.250 4.100 4.350 -0.000 0.000 0.196 280 E C 1.279 177.892 176.600 0.021 0.000 0.993 280 E CA 1.571 57.917 56.400 -0.089 0.000 0.819 280 E CB -0.108 29.367 29.700 -0.374 0.000 0.745 280 E HN 0.697 nan 8.360 nan 0.000 0.477 281 D N 0.032 120.472 120.400 0.067 0.000 2.328 281 D HA 0.038 4.678 4.640 -0.000 0.000 0.226 281 D C 0.213 176.573 176.300 0.099 0.000 1.066 281 D CA 0.202 54.239 54.000 0.060 0.000 0.861 281 D CB -0.145 40.674 40.800 0.031 0.000 0.912 281 D HN 0.168 nan 8.370 nan 0.000 0.521 282 A N 0.595 123.508 122.820 0.154 0.000 2.466 282 A HA 0.130 4.450 4.320 -0.000 0.000 0.238 282 A C 0.215 177.879 177.584 0.133 0.000 1.074 282 A CA -0.253 51.897 52.037 0.189 0.000 0.774 282 A CB 0.216 19.366 19.000 0.250 0.000 1.015 282 A HN 0.127 nan 8.150 nan 0.000 0.498 283 D N 1.948 122.437 120.400 0.149 0.000 2.344 283 D HA 0.184 4.824 4.640 -0.000 0.000 0.253 283 D C 1.009 177.362 176.300 0.088 0.000 1.255 283 D CA 0.013 54.079 54.000 0.109 0.000 0.894 283 D CB 0.234 41.103 40.800 0.116 0.000 1.067 283 D HN 0.433 nan 8.370 nan 0.000 0.492 284 L N 2.841 124.092 121.223 0.047 0.000 2.201 284 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 284 L C 2.365 179.234 176.870 -0.001 0.000 1.105 284 L CA 0.937 55.782 54.840 0.008 0.000 0.775 284 L CB -0.509 41.552 42.059 0.003 0.000 0.913 284 L HN 0.402 nan 8.230 nan 0.000 0.440 285 S N -0.140 115.572 115.700 0.020 0.000 2.474 285 S HA -0.153 4.317 4.470 -0.000 0.000 0.235 285 S C 1.775 176.394 174.600 0.032 0.000 0.997 285 S CA 0.744 58.957 58.200 0.021 0.000 0.949 285 S CB -0.172 63.043 63.200 0.026 0.000 0.766 285 S HN 0.333 nan 8.310 nan 0.000 0.517 286 L N 0.942 122.199 121.223 0.057 0.000 2.200 286 L HA 0.326 4.666 4.340 -0.000 0.000 0.200 286 L C 2.431 179.297 176.870 -0.006 0.000 1.072 286 L CA 0.898 55.800 54.840 0.103 0.000 0.787 286 L CB -0.522 41.672 42.059 0.224 0.000 0.957 286 L HN 0.158 nan 8.230 nan 0.000 0.459 287 V N -0.777 119.038 119.914 -0.166 0.000 2.282 287 V HA -0.315 3.805 4.120 -0.000 0.000 0.249 287 V C 2.444 178.361 176.094 -0.295 0.000 1.057 287 V CA 1.957 63.939 62.300 -0.530 0.000 1.032 287 V CB -0.687 30.912 31.823 -0.374 0.000 0.645 287 V HN 0.303 nan 8.190 nan 0.000 0.447 288 V N 0.701 120.533 119.914 -0.136 0.000 2.244 288 V HA -0.126 3.994 4.120 -0.000 0.000 0.244 288 V C 0.248 176.328 176.094 -0.023 0.000 1.042 288 V CA 2.558 64.813 62.300 -0.076 0.000 1.006 288 V CB -1.910 29.884 31.823 -0.049 0.000 0.641 288 V HN 0.535 nan 8.190 nan 0.000 0.446 289 P HA -0.067 nan 4.420 nan 0.000 0.218 289 P C 1.862 179.219 177.300 0.095 0.000 1.149 289 P CA 1.457 64.585 63.100 0.047 0.000 0.817 289 P CB -0.063 31.660 31.700 0.038 0.000 0.785 290 S N 0.334 116.078 115.700 0.072 0.000 2.356 290 S HA -0.108 4.362 4.470 -0.000 0.000 0.223 290 S C 2.194 176.884 174.600 0.150 0.000 1.032 290 S CA 1.490 59.785 58.200 0.157 0.000 1.005 290 S CB -1.018 62.310 63.200 0.212 0.000 0.867 290 S HN 0.195 nan 8.310 nan 0.000 0.449 291 A N 1.341 124.172 122.820 0.018 0.000 1.898 291 A HA -0.012 4.308 4.320 -0.000 0.000 0.216 291 A C 2.116 179.762 177.584 0.104 0.000 1.181 291 A CA 1.297 53.359 52.037 0.043 0.000 0.620 291 A CB -0.760 18.220 19.000 -0.033 0.000 0.819 291 A HN 0.404 nan 8.150 nan 0.000 0.442 292 L N -1.340 119.952 121.223 0.116 0.000 1.990 292 L HA -0.177 4.163 4.340 -0.000 0.000 0.213 292 L C 2.224 179.146 176.870 0.086 0.000 1.072 292 L CA 2.631 57.539 54.840 0.112 0.000 0.755 292 L CB -0.787 41.327 42.059 0.091 0.000 0.889 292 L HN 0.434 nan 8.230 nan 0.000 0.432 293 F N 0.217 120.179 119.950 0.021 0.000 2.113 293 F HA -0.111 4.416 4.527 -0.000 0.000 0.297 293 F C 2.279 178.111 175.800 0.054 0.000 1.103 293 F CA 1.546 59.566 58.000 0.033 0.000 1.248 293 F CB -0.747 38.286 39.000 0.054 0.000 0.999 293 F HN 0.154 nan 8.300 nan 0.000 0.475 294 A N 0.115 122.971 122.820 0.061 0.000 1.930 294 A HA 0.025 4.345 4.320 -0.000 0.000 0.217 294 A C 2.337 179.882 177.584 -0.065 0.000 1.175 294 A CA 1.674 53.703 52.037 -0.012 0.000 0.627 294 A CB -1.414 17.684 19.000 0.163 0.000 0.815 294 A HN 0.498 nan 8.150 nan 0.000 0.443 295 A N -1.110 121.697 122.820 -0.021 0.000 1.903 295 A HA 0.207 4.527 4.320 -0.000 0.000 0.213 295 A C 1.934 179.477 177.584 -0.068 0.000 1.185 295 A CA 1.644 53.679 52.037 -0.003 0.000 0.628 295 A CB -0.322 18.731 19.000 0.088 0.000 0.830 295 A HN 0.429 nan 8.150 nan 0.000 0.446 296 V N -0.357 119.477 119.914 -0.133 0.000 3.621 296 V HA 0.180 4.300 4.120 -0.000 0.000 0.263 296 V C 1.527 177.551 176.094 -0.115 0.000 1.272 296 V CA 0.238 62.455 62.300 -0.138 0.000 1.080 296 V CB -0.450 31.178 31.823 -0.326 0.000 0.816 296 V HN 0.510 nan 8.190 nan 0.000 0.451 297 G N 0.378 109.012 108.800 -0.276 0.000 2.414 297 G HA2 0.287 4.247 3.960 -0.000 0.000 0.236 297 G HA3 0.287 4.247 3.960 -0.000 0.000 0.236 297 G C 0.756 175.504 174.900 -0.254 0.000 1.293 297 G CA 0.986 45.862 45.100 -0.372 0.000 0.869 297 G HN 0.461 nan 8.290 nan 0.000 0.556 298 T N -0.058 114.383 114.554 -0.189 0.000 4.331 298 T HA -0.156 4.194 4.350 -0.000 0.000 0.323 298 T C 1.440 176.009 174.700 -0.219 0.000 0.836 298 T CA 1.524 63.508 62.100 -0.194 0.000 1.985 298 T CB -1.954 66.794 68.868 -0.199 0.000 1.919 298 T HN 2.611 nan 8.240 nan 0.000 0.905 299 A N -0.946 121.733 122.820 -0.234 0.000 2.748 299 A HA 0.158 4.478 4.320 -0.000 0.000 0.297 299 A C 2.220 179.718 177.584 -0.143 0.000 1.508 299 A CA 1.580 53.472 52.037 -0.242 0.000 0.799 299 A CB -1.976 16.717 19.000 -0.512 0.000 1.011 299 A HN 2.692 nan 8.150 nan 0.000 0.500 300 G N -2.278 106.433 108.800 -0.147 0.000 2.143 300 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.248 300 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.248 300 G C 0.218 174.889 174.900 -0.382 0.000 0.991 300 G CA 0.890 45.884 45.100 -0.177 0.000 0.689 300 G HN 1.322 nan 8.290 nan 0.000 0.522 301 Q N -0.559 118.996 119.800 -0.408 0.000 2.186 301 Q HA 0.241 4.581 4.340 -0.000 0.000 0.241 301 Q C 0.995 176.750 176.000 -0.407 0.000 0.849 301 Q CA -0.282 55.112 55.803 -0.683 0.000 1.053 301 Q CB 0.634 29.249 28.738 -0.204 0.000 1.146 301 Q HN 0.530 nan 8.270 nan 0.000 0.475 302 R N -0.053 120.332 120.500 -0.190 0.000 2.457 302 R HA 0.163 4.503 4.340 -0.000 0.000 0.284 302 R C 1.289 177.759 176.300 0.284 0.000 1.024 302 R CA -0.263 55.964 56.100 0.211 0.000 1.025 302 R CB 0.812 31.260 30.300 0.248 0.000 1.063 302 R HN 0.337 nan 8.270 nan 0.000 0.493 303 C N -1.099 118.473 119.300 0.455 0.000 2.422 303 C HA -0.092 4.368 4.460 -0.000 0.000 0.279 303 C C 2.110 177.282 174.990 0.302 0.000 1.305 303 C CA 0.815 60.087 59.018 0.423 0.000 1.757 303 C CB -1.357 26.587 27.740 0.340 0.000 1.962 303 C HN 0.891 nan 8.230 nan 0.000 0.499 304 T N -2.267 112.447 114.554 0.267 0.000 3.169 304 T HA 0.103 4.453 4.350 -0.000 0.000 0.250 304 T C 0.463 175.262 174.700 0.165 0.000 1.111 304 T CA 0.246 62.476 62.100 0.216 0.000 1.010 304 T CB -0.823 68.193 68.868 0.247 0.000 0.984 304 T HN 0.510 nan 8.240 nan 0.000 0.537 305 T N 3.435 118.063 114.554 0.124 0.000 2.933 305 T HA 0.390 4.740 4.350 -0.000 0.000 0.306 305 T C 0.622 175.382 174.700 0.100 0.000 1.045 305 T CA 0.005 62.138 62.100 0.055 0.000 1.143 305 T CB 0.223 69.069 68.868 -0.037 0.000 1.003 305 T HN 0.585 nan 8.240 nan 0.000 0.540 306 A N 4.019 126.897 122.820 0.096 0.000 2.444 306 A HA 0.250 4.570 4.320 -0.000 0.000 0.273 306 A C 1.227 178.881 177.584 0.116 0.000 1.136 306 A CA -0.277 51.841 52.037 0.134 0.000 0.799 306 A CB 0.149 19.234 19.000 0.142 0.000 1.081 306 A HN 0.944 nan 8.150 nan 0.000 0.509 307 R N 1.449 122.047 120.500 0.163 0.000 2.344 307 R HA 0.128 4.468 4.340 -0.000 0.000 0.209 307 R C -0.112 176.335 176.300 0.245 0.000 0.886 307 R CA 0.317 56.523 56.100 0.177 0.000 1.040 307 R CB 0.534 30.978 30.300 0.240 0.000 1.114 307 R HN 0.687 nan 8.270 nan 0.000 0.547 308 R N 1.193 121.851 120.500 0.263 0.000 2.513 308 R HA 0.348 4.688 4.340 -0.000 0.000 0.301 308 R C -1.583 174.830 176.300 0.188 0.000 0.968 308 R CA -0.837 55.435 56.100 0.287 0.000 0.872 308 R CB 2.219 32.762 30.300 0.405 0.000 1.177 308 R HN -0.146 nan 8.270 nan 0.000 0.444 309 L N 4.111 125.358 121.223 0.039 0.000 2.345 309 L HA 0.497 4.837 4.340 -0.000 0.000 0.274 309 L C -1.611 175.306 176.870 0.077 0.000 0.999 309 L CA -0.363 54.526 54.840 0.081 0.000 0.849 309 L CB 0.750 42.815 42.059 0.010 0.000 1.220 309 L HN 0.446 nan 8.230 nan 0.000 0.422 310 F N 6.069 126.220 119.950 0.334 0.000 2.410 310 F HA 0.590 5.117 4.527 -0.000 0.000 0.349 310 F C 0.189 176.246 175.800 0.429 0.000 1.117 310 F CA -0.308 57.949 58.000 0.428 0.000 1.104 310 F CB 1.027 40.182 39.000 0.259 0.000 1.122 310 F HN 0.261 nan 8.300 nan 0.000 0.483 311 I N 2.843 123.791 120.570 0.631 0.000 2.545 311 I HA 0.223 4.393 4.170 -0.000 0.000 0.292 311 I C -0.059 176.156 176.117 0.162 0.000 1.040 311 I CA -0.952 60.588 61.300 0.400 0.000 1.068 311 I CB 1.653 39.772 38.000 0.197 0.000 1.251 311 I HN 0.559 nan 8.210 nan 0.000 0.424 312 H N 5.714 124.602 119.070 -0.304 0.000 2.972 312 H HA 0.026 4.582 4.556 -0.000 0.000 0.343 312 H C 0.698 175.861 175.328 -0.276 0.000 1.054 312 H CA 0.914 56.490 56.048 -0.786 0.000 1.412 312 H CB 1.153 30.540 29.762 -0.625 0.000 1.385 312 H HN 0.726 nan 8.280 nan 0.000 0.600 313 E N 2.007 121.728 120.200 -0.798 0.000 2.147 313 E HA -0.238 4.112 4.350 -0.000 0.000 0.199 313 E C 2.121 178.646 176.600 -0.125 0.000 1.005 313 E CA 1.860 58.036 56.400 -0.373 0.000 0.810 313 E CB 0.117 29.579 29.700 -0.397 0.000 0.736 313 E HN 0.723 nan 8.360 nan 0.000 0.460 314 S N 0.948 116.650 115.700 0.003 0.000 2.399 314 S HA -0.144 4.326 4.470 -0.000 0.000 0.231 314 S C 1.997 176.658 174.600 0.101 0.000 1.022 314 S CA 1.323 59.600 58.200 0.129 0.000 0.983 314 S CB -0.504 62.844 63.200 0.247 0.000 0.803 314 S HN 0.473 nan 8.310 nan 0.000 0.480 315 I N -2.459 118.179 120.570 0.113 0.000 4.082 315 I HA 0.337 4.507 4.170 -0.000 0.000 0.337 315 I C 2.133 178.292 176.117 0.070 0.000 1.352 315 I CA -0.289 61.058 61.300 0.077 0.000 1.097 315 I CB -0.514 37.528 38.000 0.070 0.000 1.048 315 I HN 0.137 nan 8.210 nan 0.000 0.393 316 H N 3.005 122.069 119.070 -0.008 0.000 2.265 316 H HA -0.225 4.331 4.556 -0.000 0.000 0.293 316 H C 1.148 176.463 175.328 -0.022 0.000 1.089 316 H CA 2.775 58.815 56.048 -0.013 0.000 1.244 316 H CB 0.070 29.819 29.762 -0.021 0.000 1.355 316 H HN 0.362 nan 8.280 nan 0.000 0.485 317 D N 0.235 120.705 120.400 0.118 0.000 2.144 317 D HA -0.127 4.513 4.640 -0.000 0.000 0.200 317 D C 2.253 178.526 176.300 -0.045 0.000 0.978 317 D CA 1.027 55.051 54.000 0.040 0.000 0.833 317 D CB -0.366 40.488 40.800 0.090 0.000 0.961 317 D HN 0.619 nan 8.370 nan 0.000 0.470 318 E N 0.518 120.703 120.200 -0.025 0.000 2.051 318 E HA -0.143 4.207 4.350 -0.000 0.000 0.192 318 E C 2.055 178.613 176.600 -0.071 0.000 0.991 318 E CA 0.883 57.262 56.400 -0.035 0.000 0.799 318 E CB 0.141 29.833 29.700 -0.012 0.000 0.748 318 E HN -0.013 nan 8.360 nan 0.000 0.449 319 V N 0.637 120.496 119.914 -0.091 0.000 2.287 319 V HA -0.253 3.867 4.120 -0.000 0.000 0.248 319 V C 2.459 178.449 176.094 -0.174 0.000 1.053 319 V CA 1.528 63.756 62.300 -0.120 0.000 1.027 319 V CB -0.346 31.407 31.823 -0.117 0.000 0.646 319 V HN 0.224 nan 8.190 nan 0.000 0.447 320 V N 0.581 120.346 119.914 -0.248 0.000 2.343 320 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 320 V C 2.357 178.336 176.094 -0.192 0.000 1.051 320 V CA 2.128 64.266 62.300 -0.271 0.000 1.036 320 V CB -0.888 30.727 31.823 -0.347 0.000 0.654 320 V HN 0.561 nan 8.190 nan 0.000 0.451 321 N N 0.424 119.043 118.700 -0.134 0.000 2.069 321 N HA -0.157 4.583 4.740 -0.000 0.000 0.191 321 N C 1.985 177.440 175.510 -0.092 0.000 1.031 321 N CA 1.507 54.502 53.050 -0.091 0.000 0.852 321 N CB -0.375 38.078 38.487 -0.056 0.000 1.018 321 N HN 0.476 nan 8.380 nan 0.000 0.423 322 R N 0.411 120.858 120.500 -0.089 0.000 2.096 322 R HA 0.044 4.384 4.340 -0.000 0.000 0.235 322 R C 2.298 178.542 176.300 -0.094 0.000 1.127 322 R CA 0.629 56.684 56.100 -0.075 0.000 0.968 322 R CB -0.317 29.948 30.300 -0.059 0.000 0.861 322 R HN 0.212 nan 8.270 nan 0.000 0.440 323 L N 0.752 121.888 121.223 -0.145 0.000 2.056 323 L HA -0.192 4.148 4.340 -0.000 0.000 0.207 323 L C 2.227 178.907 176.870 -0.316 0.000 1.078 323 L CA 1.508 56.230 54.840 -0.196 0.000 0.749 323 L CB -0.274 41.611 42.059 -0.291 0.000 0.901 323 L HN 0.132 nan 8.230 nan 0.000 0.433 324 K N -0.306 119.896 120.400 -0.330 0.000 2.063 324 K HA -0.248 4.072 4.320 -0.000 0.000 0.208 324 K C 2.381 178.861 176.600 -0.199 0.000 1.048 324 K CA 1.838 57.935 56.287 -0.316 0.000 0.928 324 K CB -0.239 32.190 32.500 -0.119 0.000 0.713 324 K HN 0.008 nan 8.250 nan 0.000 0.442 325 K N 0.804 121.142 120.400 -0.104 0.000 2.057 325 K HA -0.092 4.228 4.320 -0.000 0.000 0.207 325 K C 2.158 178.729 176.600 -0.049 0.000 1.049 325 K CA 1.290 57.548 56.287 -0.049 0.000 0.931 325 K CB -0.612 31.869 32.500 -0.032 0.000 0.714 325 K HN 0.349 nan 8.250 nan 0.000 0.440 326 A N -0.638 122.157 122.820 -0.041 0.000 1.902 326 A HA -0.040 4.280 4.320 -0.000 0.000 0.217 326 A C 2.205 179.782 177.584 -0.012 0.000 1.181 326 A CA 1.767 53.801 52.037 -0.005 0.000 0.623 326 A CB -0.853 18.168 19.000 0.034 0.000 0.818 326 A HN 0.623 nan 8.150 nan 0.000 0.443 327 Y N -0.030 120.056 120.300 -0.358 0.000 2.165 327 Y HA -0.122 4.428 4.550 -0.000 0.000 0.286 327 Y C 2.888 178.526 175.900 -0.436 0.000 1.155 327 Y CA 0.494 58.263 58.100 -0.552 0.000 1.164 327 Y CB -0.856 36.947 38.460 -1.094 0.000 0.978 327 Y HN 0.330 nan 8.280 nan 0.000 0.513 328 A N -0.434 122.290 122.820 -0.161 0.000 2.125 328 A HA -0.195 4.125 4.320 -0.000 0.000 0.219 328 A C 1.925 179.523 177.584 0.024 0.000 1.156 328 A CA 1.413 53.494 52.037 0.072 0.000 0.671 328 A CB -0.527 18.562 19.000 0.148 0.000 0.794 328 A HN 0.579 nan 8.150 nan 0.000 0.459 329 Q N -0.688 119.099 119.800 -0.022 0.000 2.360 329 Q HA 0.253 4.593 4.340 -0.000 0.000 0.202 329 Q C -0.321 175.658 176.000 -0.036 0.000 0.915 329 Q CA -0.241 55.550 55.803 -0.020 0.000 0.943 329 Q CB 0.163 28.891 28.738 -0.016 0.000 1.064 329 Q HN 0.645 nan 8.270 nan 0.000 0.511 330 I N 2.332 122.857 120.570 -0.075 0.000 2.598 330 I HA -0.035 4.135 4.170 -0.000 0.000 0.284 330 I C 0.280 176.369 176.117 -0.047 0.000 1.140 330 I CA 0.290 61.533 61.300 -0.094 0.000 1.420 330 I CB 0.396 38.260 38.000 -0.227 0.000 1.387 330 I HN -0.044 nan 8.210 nan 0.000 0.553 331 R N 5.713 126.208 120.500 -0.008 0.000 2.216 331 R HA 0.429 4.769 4.340 -0.000 0.000 0.332 331 R C -0.845 175.485 176.300 0.050 0.000 1.056 331 R CA -0.507 55.598 56.100 0.008 0.000 0.901 331 R CB 0.943 31.246 30.300 0.004 0.000 1.039 331 R HN 0.379 nan 8.270 nan 0.000 0.456 332 V N 2.158 122.098 119.914 0.043 0.000 2.612 332 V HA 0.818 4.938 4.120 -0.000 0.000 0.301 332 V C 0.802 176.885 176.094 -0.018 0.000 1.046 332 V CA -0.372 61.988 62.300 0.100 0.000 0.946 332 V CB 1.713 33.588 31.823 0.088 0.000 1.003 332 V HN 1.036 nan 8.190 nan 0.000 0.459 333 G N 2.327 111.116 108.800 -0.018 0.000 2.321 333 G HA2 0.175 4.135 3.960 -0.000 0.000 0.296 333 G HA3 0.175 4.135 3.960 -0.000 0.000 0.296 333 G C -1.472 173.360 174.900 -0.113 0.000 1.287 333 G CA -0.986 44.039 45.100 -0.126 0.000 0.846 333 G HN 0.479 nan 8.290 nan 0.000 0.508 334 N N 1.749 120.265 118.700 -0.308 0.000 2.454 334 N HA 0.215 4.955 4.740 -0.000 0.000 0.260 334 N C -1.347 173.762 175.510 -0.667 0.000 1.218 334 N CA -1.063 51.582 53.050 -0.676 0.000 0.904 334 N CB 1.769 39.479 38.487 -1.295 0.000 1.065 334 N HN 0.202 nan 8.380 nan 0.000 0.462 335 P HA -0.067 nan 4.420 nan 0.000 0.230 335 P C 0.665 177.953 177.300 -0.019 0.000 1.158 335 P CA 0.961 63.979 63.100 -0.136 0.000 0.769 335 P CB -0.067 31.638 31.700 0.008 0.000 0.807 336 W N -0.979 120.356 121.300 0.059 0.000 3.290 336 W HA 0.369 5.029 4.660 -0.000 0.000 0.287 336 W C -0.384 176.146 176.519 0.019 0.000 1.288 336 W CA -0.540 56.823 57.345 0.029 0.000 1.725 336 W CB -0.845 28.641 29.460 0.043 0.000 1.103 336 W HN -0.286 nan 8.180 nan 0.000 0.670 337 D N 2.772 123.027 120.400 -0.240 0.000 2.283 337 D HA 0.196 4.836 4.640 -0.000 0.000 0.248 337 D C -1.971 174.299 176.300 -0.051 0.000 1.072 337 D CA -2.020 51.899 54.000 -0.136 0.000 0.929 337 D CB 0.861 41.515 40.800 -0.243 0.000 1.182 337 D HN -0.181 nan 8.370 nan 0.000 0.433 338 P HA 0.096 nan 4.420 nan 0.000 0.271 338 P C -0.473 176.818 177.300 -0.016 0.000 1.218 338 P CA 0.009 63.105 63.100 -0.006 0.000 0.780 338 P CB 0.576 32.277 31.700 0.001 0.000 0.901 339 N N -1.893 116.804 118.700 -0.005 0.000 2.955 339 N HA -0.150 4.590 4.740 -0.000 0.000 0.230 339 N C -0.268 175.240 175.510 -0.003 0.000 0.891 339 N CA 0.628 53.676 53.050 -0.003 0.000 1.002 339 N CB -1.675 36.807 38.487 -0.007 0.000 1.063 339 N HN 0.177 nan 8.380 nan 0.000 0.601 340 V N 1.588 121.494 119.914 -0.013 0.000 2.555 340 V HA 0.120 4.240 4.120 -0.000 0.000 0.286 340 V C 1.318 177.427 176.094 0.025 0.000 1.044 340 V CA 0.359 62.656 62.300 -0.006 0.000 1.026 340 V CB 1.269 33.063 31.823 -0.048 0.000 0.981 340 V HN 0.209 nan 8.190 nan 0.000 0.480 341 L N 4.673 125.930 121.223 0.058 0.000 2.766 341 L HA 0.367 4.707 4.340 -0.000 0.000 0.242 341 L C -0.357 176.598 176.870 0.141 0.000 1.136 341 L CA 0.181 55.071 54.840 0.084 0.000 0.933 341 L CB 0.334 42.438 42.059 0.075 0.000 1.241 341 L HN 0.649 nan 8.230 nan 0.000 0.522 342 Y N 0.239 120.532 120.300 -0.011 0.000 2.330 342 Y HA 0.611 5.161 4.550 -0.000 0.000 0.324 342 Y C 0.109 176.045 175.900 0.061 0.000 1.093 342 Y CA -0.967 57.128 58.100 -0.007 0.000 1.103 342 Y CB 1.312 39.759 38.460 -0.021 0.000 1.183 342 Y HN -0.081 nan 8.280 nan 0.000 0.433 343 G N 4.991 113.564 108.800 -0.379 0.000 2.828 343 G HA2 0.646 4.606 3.960 -0.000 0.000 0.244 343 G HA3 0.646 4.606 3.960 -0.000 0.000 0.244 343 G C -2.969 171.463 174.900 -0.779 0.000 1.365 343 G CA -1.846 43.067 45.100 -0.311 0.000 1.041 343 G HN 0.382 nan 8.290 nan 0.000 0.560 344 P HA 0.326 nan 4.420 nan 0.000 0.278 344 P C -0.027 176.947 177.300 -0.543 0.000 1.258 344 P CA -0.483 61.961 63.100 -1.094 0.000 0.811 344 P CB 1.270 32.380 31.700 -0.983 0.000 1.063 345 L N 0.839 121.822 121.223 -0.400 0.000 2.472 345 L HA 0.069 4.409 4.340 -0.000 0.000 0.260 345 L C 2.222 179.008 176.870 -0.140 0.000 1.209 345 L CA -0.178 54.544 54.840 -0.197 0.000 0.817 345 L CB -0.335 41.642 42.059 -0.136 0.000 1.106 345 L HN 0.568 nan 8.230 nan 0.000 0.479 346 H N 0.031 118.989 119.070 -0.186 0.000 2.428 346 H HA -0.030 4.526 4.556 -0.000 0.000 0.296 346 H C 0.522 175.689 175.328 -0.268 0.000 1.062 346 H CA 1.179 57.070 56.048 -0.261 0.000 1.350 346 H CB 0.292 29.725 29.762 -0.548 0.000 1.403 346 H HN 0.727 nan 8.280 nan 0.000 0.533 347 T N -3.321 111.051 114.554 -0.304 0.000 2.896 347 T HA 0.293 4.643 4.350 -0.000 0.000 0.297 347 T C 0.742 175.342 174.700 -0.166 0.000 1.108 347 T CA -0.977 60.947 62.100 -0.294 0.000 1.004 347 T CB 2.148 70.854 68.868 -0.270 0.000 1.159 347 T HN 0.117 nan 8.240 nan 0.000 0.499 348 K N 0.065 120.374 120.400 -0.152 0.000 2.103 348 K HA -0.186 4.134 4.320 -0.000 0.000 0.207 348 K C 2.219 178.790 176.600 -0.048 0.000 1.048 348 K CA 1.651 57.882 56.287 -0.093 0.000 0.930 348 K CB -0.181 32.258 32.500 -0.102 0.000 0.716 348 K HN 0.615 nan 8.250 nan 0.000 0.444 349 Q N 0.899 120.667 119.800 -0.052 0.000 2.124 349 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 349 Q C 1.844 177.865 176.000 0.035 0.000 0.977 349 Q CA 1.803 57.601 55.803 -0.007 0.000 0.850 349 Q CB -0.227 28.502 28.738 -0.014 0.000 0.901 349 Q HN 0.309 nan 8.270 nan 0.000 0.429 350 A N -0.615 122.219 122.820 0.025 0.000 1.933 350 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 350 A C 2.235 179.889 177.584 0.116 0.000 1.175 350 A CA 1.609 53.698 52.037 0.088 0.000 0.628 350 A CB -0.786 18.253 19.000 0.066 0.000 0.814 350 A HN 0.278 nan 8.150 nan 0.000 0.444 351 V N -0.160 119.791 119.914 0.062 0.000 2.343 351 V HA -0.229 3.891 4.120 -0.000 0.000 0.247 351 V C 2.766 178.972 176.094 0.187 0.000 1.051 351 V CA 2.346 64.705 62.300 0.097 0.000 1.036 351 V CB -0.902 30.938 31.823 0.029 0.000 0.654 351 V HN 0.556 nan 8.190 nan 0.000 0.451 352 S N -0.472 115.299 115.700 0.119 0.000 2.368 352 S HA -0.161 4.309 4.470 -0.000 0.000 0.225 352 S C 2.005 176.682 174.600 0.129 0.000 1.030 352 S CA 1.507 59.772 58.200 0.109 0.000 0.999 352 S CB -0.315 62.923 63.200 0.064 0.000 0.844 352 S HN 0.378 nan 8.310 nan 0.000 0.459 353 M N 0.485 120.171 119.600 0.144 0.000 2.117 353 M HA -0.019 4.461 4.480 -0.000 0.000 0.262 353 M C 1.974 178.385 176.300 0.184 0.000 1.065 353 M CA 1.235 56.625 55.300 0.151 0.000 1.114 353 M CB -1.432 31.266 32.600 0.165 0.000 1.361 353 M HN 0.395 nan 8.290 nan 0.000 0.408 354 F N 1.531 121.532 119.950 0.085 0.000 2.065 354 F HA -0.241 4.286 4.527 -0.000 0.000 0.298 354 F C 2.066 177.910 175.800 0.074 0.000 1.112 354 F CA 1.714 59.764 58.000 0.084 0.000 1.212 354 F CB -0.492 38.552 39.000 0.074 0.000 0.975 354 F HN 0.009 nan 8.300 nan 0.000 0.476 355 L N 0.240 121.513 121.223 0.083 0.000 2.042 355 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 355 L C 2.833 179.656 176.870 -0.077 0.000 1.076 355 L CA 1.387 56.198 54.840 -0.048 0.000 0.749 355 L CB -1.586 40.533 42.059 0.100 0.000 0.893 355 L HN 0.423 nan 8.230 nan 0.000 0.432 356 G N -0.614 108.181 108.800 -0.009 0.000 2.418 356 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 356 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 356 G C 1.767 176.657 174.900 -0.016 0.000 1.158 356 G CA 0.782 45.882 45.100 0.000 0.000 0.771 356 G HN 0.471 nan 8.290 nan 0.000 0.545 357 A N 0.137 122.946 122.820 -0.017 0.000 1.902 357 A HA 0.083 4.403 4.320 -0.000 0.000 0.217 357 A C 2.607 180.175 177.584 -0.027 0.000 1.181 357 A CA 1.795 53.843 52.037 0.019 0.000 0.623 357 A CB -0.677 18.370 19.000 0.079 0.000 0.818 357 A HN 0.251 nan 8.150 nan 0.000 0.443 358 V N 0.029 119.833 119.914 -0.183 0.000 2.332 358 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 358 V C 2.627 178.667 176.094 -0.090 0.000 1.055 358 V CA 2.512 64.693 62.300 -0.199 0.000 1.038 358 V CB -0.686 30.896 31.823 -0.402 0.000 0.651 358 V HN 0.707 nan 8.190 nan 0.000 0.450 359 E N 0.368 120.522 120.200 -0.078 0.000 2.072 359 E HA -0.227 4.123 4.350 -0.000 0.000 0.191 359 E C 2.091 178.678 176.600 -0.021 0.000 0.985 359 E CA 1.484 57.859 56.400 -0.041 0.000 0.801 359 E CB -0.260 29.422 29.700 -0.030 0.000 0.750 359 E HN 0.586 nan 8.360 nan 0.000 0.452 360 E N 0.054 120.246 120.200 -0.013 0.000 2.110 360 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 360 E C 1.806 178.403 176.600 -0.006 0.000 0.988 360 E CA 1.457 57.853 56.400 -0.007 0.000 0.804 360 E CB -0.544 29.156 29.700 0.000 0.000 0.745 360 E HN 0.296 nan 8.360 nan 0.000 0.458 361 A N 0.738 123.569 122.820 0.019 0.000 1.908 361 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 361 A C 2.086 179.679 177.584 0.015 0.000 1.181 361 A CA 2.040 54.103 52.037 0.043 0.000 0.627 361 A CB -0.480 18.608 19.000 0.148 0.000 0.818 361 A HN 0.240 nan 8.150 nan 0.000 0.445 362 K N -0.268 120.133 120.400 0.002 0.000 2.097 362 K HA -0.081 4.239 4.320 -0.000 0.000 0.205 362 K C 2.041 178.634 176.600 -0.012 0.000 1.050 362 K CA 1.445 57.727 56.287 -0.008 0.000 0.938 362 K CB -0.129 32.362 32.500 -0.015 0.000 0.718 362 K HN 0.410 nan 8.250 nan 0.000 0.442 363 K N 1.031 121.422 120.400 -0.015 0.000 2.148 363 K HA -0.136 4.184 4.320 -0.000 0.000 0.204 363 K C 1.383 177.969 176.600 -0.023 0.000 1.050 363 K CA 1.173 57.449 56.287 -0.018 0.000 0.942 363 K CB 0.057 32.546 32.500 -0.018 0.000 0.724 363 K HN 0.235 nan 8.250 nan 0.000 0.446 364 E N -0.436 119.748 120.200 -0.027 0.000 2.494 364 E HA 0.016 4.366 4.350 -0.000 0.000 0.193 364 E C 0.590 177.171 176.600 -0.032 0.000 1.074 364 E CA 0.217 56.594 56.400 -0.038 0.000 0.867 364 E CB 0.431 30.098 29.700 -0.055 0.000 0.924 364 E HN 0.500 nan 8.360 nan 0.000 0.502 365 G N 0.821 109.608 108.800 -0.021 0.000 2.163 365 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.213 365 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.213 365 G C 0.467 175.363 174.900 -0.007 0.000 0.991 365 G CA -0.414 44.676 45.100 -0.016 0.000 0.653 365 G HN 0.458 nan 8.290 nan 0.000 0.518 366 G N -0.495 108.305 108.800 -0.000 0.000 2.539 366 G HA2 0.560 4.520 3.960 -0.000 0.000 0.258 366 G HA3 0.560 4.520 3.960 -0.000 0.000 0.258 366 G C -0.161 174.740 174.900 0.001 0.000 1.202 366 G CA 0.630 45.736 45.100 0.009 0.000 0.851 366 G HN 0.542 nan 8.290 nan 0.000 0.556 367 T N 0.623 115.176 114.554 -0.002 0.000 2.792 367 T HA 0.332 4.682 4.350 -0.000 0.000 0.280 367 T C 0.099 174.791 174.700 -0.014 0.000 0.990 367 T CA -0.320 61.775 62.100 -0.008 0.000 0.960 367 T CB 1.658 70.521 68.868 -0.007 0.000 0.939 367 T HN 0.298 nan 8.240 nan 0.000 0.439 368 V N 4.999 124.902 119.914 -0.018 0.000 2.415 368 V HA 0.061 4.181 4.120 -0.000 0.000 0.267 368 V C 1.530 177.611 176.094 -0.022 0.000 1.042 368 V CA 0.080 62.367 62.300 -0.022 0.000 1.000 368 V CB 0.436 32.242 31.823 -0.027 0.000 1.015 368 V HN 0.888 nan 8.190 nan 0.000 0.478 369 V N 2.667 122.569 119.914 -0.019 0.000 3.590 369 V HA 0.356 4.476 4.120 -0.000 0.000 0.265 369 V C 0.153 176.270 176.094 0.040 0.000 1.239 369 V CA 0.416 62.710 62.300 -0.010 0.000 1.117 369 V CB -0.585 31.221 31.823 -0.029 0.000 0.818 369 V HN 0.652 nan 8.190 nan 0.000 0.451 370 Y N -0.100 120.147 120.300 -0.088 0.000 2.482 370 Y HA 0.631 5.181 4.550 -0.000 0.000 0.334 370 Y C 0.348 176.252 175.900 0.006 0.000 1.091 370 Y CA 0.213 58.278 58.100 -0.058 0.000 1.027 370 Y CB 1.374 39.758 38.460 -0.126 0.000 1.306 370 Y HN 0.586 nan 8.280 nan 0.000 0.446 371 G N 2.543 111.117 108.800 -0.377 0.000 2.499 371 G HA2 0.278 4.238 3.960 -0.000 0.000 0.232 371 G HA3 0.278 4.238 3.960 -0.000 0.000 0.232 371 G C 0.704 175.620 174.900 0.026 0.000 1.251 371 G CA 0.605 45.654 45.100 -0.084 0.000 0.917 371 G HN 2.153 nan 8.290 nan 0.000 0.580 372 G N -1.698 107.227 108.800 0.208 0.000 2.179 372 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.220 372 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.220 372 G C 0.214 175.248 174.900 0.224 0.000 0.990 372 G CA 1.598 46.783 45.100 0.142 0.000 0.646 372 G HN 1.166 nan 8.290 nan 0.000 0.517 373 K N -0.220 120.360 120.400 0.300 0.000 2.350 373 K HA 0.711 5.031 4.320 -0.000 0.000 0.241 373 K C 0.030 176.782 176.600 0.254 0.000 0.994 373 K CA -0.971 55.463 56.287 0.245 0.000 0.839 373 K CB 2.841 35.398 32.500 0.096 0.000 1.244 373 K HN 0.023 nan 8.250 nan 0.000 0.443 374 V N 2.572 122.600 119.914 0.190 0.000 2.686 374 V HA 0.143 4.263 4.120 -0.000 0.000 0.295 374 V C 0.364 176.500 176.094 0.069 0.000 1.055 374 V CA -0.226 62.134 62.300 0.101 0.000 1.050 374 V CB 0.780 32.662 31.823 0.098 0.000 0.984 374 V HN 0.647 nan 8.190 nan 0.000 0.482 375 M N 3.071 122.710 119.600 0.064 0.000 2.233 375 M HA 0.194 4.674 4.480 -0.000 0.000 0.350 375 M C 0.086 176.405 176.300 0.031 0.000 1.176 375 M CA -0.220 55.107 55.300 0.045 0.000 1.150 375 M CB 0.313 32.947 32.600 0.057 0.000 1.530 375 M HN 0.586 nan 8.290 nan 0.000 0.459 376 D N 4.747 125.150 120.400 0.003 0.000 2.551 376 D HA 0.199 4.839 4.640 -0.000 0.000 0.223 376 D C -0.653 175.633 176.300 -0.024 0.000 1.144 376 D CA 0.037 54.036 54.000 -0.003 0.000 1.025 376 D CB 0.134 40.930 40.800 -0.006 0.000 1.085 376 D HN 0.572 nan 8.370 nan 0.000 0.506 377 R N 0.913 121.403 120.500 -0.018 0.000 2.728 377 R HA 0.509 4.849 4.340 -0.000 0.000 0.274 377 R C -3.049 173.258 176.300 0.012 0.000 1.032 377 R CA -1.512 54.559 56.100 -0.048 0.000 0.866 377 R CB -0.367 29.832 30.300 -0.169 0.000 1.263 377 R HN -0.088 nan 8.270 nan 0.000 0.475 378 P HA 0.274 nan 4.420 nan 0.000 0.268 378 P C 0.155 177.574 177.300 0.198 0.000 1.208 378 P CA 1.417 64.567 63.100 0.083 0.000 0.777 378 P CB 0.510 32.253 31.700 0.072 0.000 0.875 379 G N 2.046 110.953 108.800 0.179 0.000 2.728 379 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.294 379 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.294 379 G C -0.456 174.519 174.900 0.125 0.000 1.342 379 G CA -0.739 44.472 45.100 0.184 0.000 0.866 379 G HN 0.536 nan 8.290 nan 0.000 0.534 380 N N 0.548 119.201 118.700 -0.078 0.000 3.052 380 N HA 0.281 5.021 4.740 -0.000 0.000 0.302 380 N C -0.622 174.766 175.510 -0.202 0.000 1.332 380 N CA 0.226 53.199 53.050 -0.129 0.000 1.129 380 N CB -0.060 38.319 38.487 -0.180 0.000 1.436 380 N HN 0.428 nan 8.380 nan 0.000 0.536 381 Y N -0.008 120.254 120.300 -0.065 0.000 2.308 381 Y HA 0.342 4.892 4.550 -0.000 0.000 0.329 381 Y C 0.927 176.776 175.900 -0.085 0.000 1.111 381 Y CA -0.910 57.155 58.100 -0.058 0.000 1.179 381 Y CB 1.192 39.649 38.460 -0.005 0.000 1.201 381 Y HN -0.041 nan 8.280 nan 0.000 0.483 382 V N -0.498 119.415 119.914 -0.001 0.000 2.962 382 V HA 0.559 4.679 4.120 -0.000 0.000 0.313 382 V C -0.693 175.363 176.094 -0.063 0.000 1.099 382 V CA -1.419 60.741 62.300 -0.233 0.000 0.971 382 V CB 1.943 33.174 31.823 -0.986 0.000 1.028 382 V HN 0.738 nan 8.190 nan 0.000 0.430 383 E N 4.122 124.292 120.200 -0.050 0.000 2.344 383 E HA 0.309 4.659 4.350 -0.000 0.000 0.270 383 E C -2.452 174.207 176.600 0.099 0.000 1.021 383 E CA -1.601 54.829 56.400 0.050 0.000 0.887 383 E CB 0.770 30.527 29.700 0.095 0.000 0.997 383 E HN 0.655 nan 8.360 nan 0.000 0.429 384 P HA 0.009 nan 4.420 nan 0.000 0.271 384 P C -0.747 176.814 177.300 0.434 0.000 1.216 384 P CA -0.093 63.071 63.100 0.107 0.000 0.776 384 P CB 0.889 32.405 31.700 -0.307 0.000 0.881 385 T N 3.383 118.194 114.554 0.428 0.000 2.893 385 T HA 0.620 4.970 4.350 -0.000 0.000 0.293 385 T C -0.050 174.744 174.700 0.158 0.000 1.027 385 T CA -0.348 61.953 62.100 0.335 0.000 0.988 385 T CB 0.815 69.854 68.868 0.285 0.000 1.043 385 T HN 0.212 nan 8.240 nan 0.000 0.461 386 I N 2.252 122.844 120.570 0.036 0.000 2.436 386 I HA 0.570 4.740 4.170 -0.000 0.000 0.289 386 I C -0.878 175.177 176.117 -0.104 0.000 1.010 386 I CA -1.101 60.121 61.300 -0.129 0.000 1.098 386 I CB 2.069 39.894 38.000 -0.292 0.000 1.266 386 I HN 0.243 nan 8.210 nan 0.000 0.434 387 V N 4.427 124.257 119.914 -0.140 0.000 2.444 387 V HA 0.459 4.579 4.120 -0.000 0.000 0.294 387 V C 0.229 176.266 176.094 -0.095 0.000 1.022 387 V CA -0.499 61.757 62.300 -0.075 0.000 0.850 387 V CB 1.891 33.722 31.823 0.013 0.000 0.992 387 V HN 0.888 nan 8.190 nan 0.000 0.426 388 T N 0.596 115.114 114.554 -0.060 0.000 2.936 388 T HA 0.723 5.073 4.350 -0.000 0.000 0.282 388 T C 1.047 175.733 174.700 -0.023 0.000 1.003 388 T CA 0.209 62.286 62.100 -0.039 0.000 1.005 388 T CB 1.696 70.585 68.868 0.037 0.000 1.097 388 T HN 1.759 nan 8.240 nan 0.000 0.532 389 G N 0.109 108.901 108.800 -0.013 0.000 2.225 389 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.254 389 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.254 389 G C 0.044 174.956 174.900 0.021 0.000 0.988 389 G CA 0.088 45.189 45.100 0.001 0.000 0.625 389 G HN 0.862 nan 8.290 nan 0.000 0.527 390 L N 1.206 122.448 121.223 0.030 0.000 2.464 390 L HA 0.524 4.864 4.340 -0.000 0.000 0.264 390 L C 1.593 178.575 176.870 0.186 0.000 1.199 390 L CA 0.039 54.932 54.840 0.088 0.000 0.818 390 L CB 0.494 42.622 42.059 0.116 0.000 1.102 390 L HN 0.243 nan 8.230 nan 0.000 0.473 391 G N -1.050 107.781 108.800 0.051 0.000 2.467 391 G HA2 0.126 4.086 3.960 -0.000 0.000 0.257 391 G HA3 0.126 4.086 3.960 -0.000 0.000 0.257 391 G C 0.669 175.468 174.900 -0.168 0.000 1.227 391 G CA -0.189 44.856 45.100 -0.091 0.000 0.835 391 G HN 0.965 nan 8.290 nan 0.000 0.556 392 H N -0.384 118.426 119.070 -0.433 0.000 2.489 392 H HA -0.094 4.462 4.556 -0.000 0.000 0.293 392 H C 1.177 176.263 175.328 -0.404 0.000 1.066 392 H CA 1.530 57.055 56.048 -0.872 0.000 1.305 392 H CB 0.212 29.352 29.762 -1.038 0.000 1.386 392 H HN 0.456 nan 8.280 nan 0.000 0.551 393 D N 0.685 120.598 120.400 -0.810 0.000 2.342 393 D HA 0.207 4.847 4.640 -0.000 0.000 0.221 393 D C 0.540 176.524 176.300 -0.527 0.000 1.101 393 D CA 0.056 53.695 54.000 -0.601 0.000 0.837 393 D CB -0.482 39.935 40.800 -0.638 0.000 0.938 393 D HN 0.591 nan 8.370 nan 0.000 0.508 394 A N 0.953 123.577 122.820 -0.327 0.000 2.546 394 A HA 0.281 4.601 4.320 -0.000 0.000 0.243 394 A C 1.698 179.136 177.584 -0.243 0.000 1.063 394 A CA 0.348 52.245 52.037 -0.232 0.000 0.757 394 A CB 0.306 19.224 19.000 -0.136 0.000 0.991 394 A HN 0.283 nan 8.150 nan 0.000 0.503 395 S N 2.596 118.170 115.700 -0.210 0.000 2.402 395 S HA -0.176 4.294 4.470 -0.000 0.000 0.229 395 S C 1.649 176.208 174.600 -0.068 0.000 1.021 395 S CA 1.394 59.501 58.200 -0.156 0.000 0.974 395 S CB -0.447 62.687 63.200 -0.111 0.000 0.800 395 S HN 0.791 nan 8.310 nan 0.000 0.484 396 I N 2.503 123.009 120.570 -0.106 0.000 2.394 396 I HA 0.119 4.289 4.170 -0.000 0.000 0.251 396 I C 2.444 178.428 176.117 -0.222 0.000 1.136 396 I CA 0.663 61.897 61.300 -0.110 0.000 1.425 396 I CB -0.904 37.031 38.000 -0.108 0.000 1.079 396 I HN 0.366 nan 8.210 nan 0.000 0.425 397 A N -1.295 121.335 122.820 -0.318 0.000 2.066 397 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 397 A C 2.111 179.751 177.584 0.093 0.000 1.157 397 A CA 1.142 52.990 52.037 -0.314 0.000 0.670 397 A CB -0.988 17.951 19.000 -0.101 0.000 0.804 397 A HN 0.620 nan 8.150 nan 0.000 0.453 398 H N -0.774 118.261 119.070 -0.059 0.000 2.548 398 H HA 0.049 4.605 4.556 -0.000 0.000 0.265 398 H C -0.118 175.234 175.328 0.041 0.000 0.969 398 H CA 0.528 56.579 56.048 0.005 0.000 1.155 398 H CB 0.332 30.081 29.762 -0.021 0.000 1.394 398 H HN 0.336 nan 8.280 nan 0.000 0.570 399 T N 0.939 115.586 114.554 0.155 0.000 2.875 399 T HA 0.056 4.406 4.350 -0.000 0.000 0.284 399 T C 0.205 175.020 174.700 0.192 0.000 0.995 399 T CA -0.615 61.574 62.100 0.149 0.000 1.060 399 T CB 2.367 71.309 68.868 0.123 0.000 0.967 399 T HN 0.262 nan 8.240 nan 0.000 0.476 400 E N 2.361 122.681 120.200 0.200 0.000 2.070 400 E HA 0.166 4.516 4.350 -0.000 0.000 0.282 400 E C -0.778 175.990 176.600 0.279 0.000 1.104 400 E CA -0.280 56.273 56.400 0.255 0.000 0.876 400 E CB 0.311 30.163 29.700 0.254 0.000 1.055 400 E HN 0.469 nan 8.360 nan 0.000 0.401 401 T N 5.375 120.115 114.554 0.310 0.000 2.758 401 T HA 0.191 4.541 4.350 -0.000 0.000 0.285 401 T C -0.459 174.457 174.700 0.361 0.000 0.981 401 T CA -0.448 61.839 62.100 0.312 0.000 0.965 401 T CB 0.237 69.269 68.868 0.273 0.000 0.927 401 T HN 0.324 nan 8.240 nan 0.000 0.448 402 F N 4.088 124.157 119.950 0.198 0.000 2.640 402 F HA 0.565 5.092 4.527 -0.000 0.000 0.354 402 F C 0.549 176.470 175.800 0.201 0.000 1.213 402 F CA -0.744 57.377 58.000 0.201 0.000 1.314 402 F CB -0.860 38.279 39.000 0.232 0.000 1.679 402 F HN 0.705 nan 8.300 nan 0.000 0.622 403 A N 3.085 125.973 122.820 0.113 0.000 2.610 403 A HA 0.673 4.993 4.320 -0.000 0.000 0.291 403 A C -2.859 174.790 177.584 0.109 0.000 1.086 403 A CA -1.271 50.850 52.037 0.140 0.000 0.677 403 A CB 1.310 20.520 19.000 0.351 0.000 1.278 403 A HN 0.079 nan 8.150 nan 0.000 0.414 404 P HA 0.423 nan 4.420 nan 0.000 0.238 404 P C -1.097 176.314 177.300 0.184 0.000 1.794 404 P CA 0.422 63.587 63.100 0.110 0.000 1.088 404 P CB -0.556 31.211 31.700 0.113 0.000 1.923 405 I N 3.452 124.067 120.570 0.076 0.000 2.418 405 I HA 0.308 4.478 4.170 -0.000 0.000 0.287 405 I C -0.233 175.672 176.117 -0.352 0.000 1.008 405 I CA -1.127 60.100 61.300 -0.122 0.000 1.104 405 I CB 2.334 40.192 38.000 -0.237 0.000 1.264 405 I HN 0.033 nan 8.210 nan 0.000 0.438 406 L N 8.088 129.117 121.223 -0.324 0.000 2.298 406 L HA 0.483 4.823 4.340 -0.000 0.000 0.284 406 L C -1.268 175.338 176.870 -0.439 0.000 1.013 406 L CA -0.220 54.451 54.840 -0.283 0.000 0.824 406 L CB 0.485 42.493 42.059 -0.086 0.000 1.221 406 L HN 0.267 nan 8.230 nan 0.000 0.418 407 Y N 4.467 124.691 120.300 -0.126 0.000 2.350 407 Y HA 0.521 5.071 4.550 -0.000 0.000 0.340 407 Y C 0.140 175.613 175.900 -0.712 0.000 1.006 407 Y CA -0.669 57.210 58.100 -0.369 0.000 1.166 407 Y CB 1.202 39.514 38.460 -0.247 0.000 1.168 407 Y HN 0.275 nan 8.280 nan 0.000 0.502 408 V N 5.308 124.840 119.914 -0.638 0.000 2.435 408 V HA 0.471 4.591 4.120 -0.000 0.000 0.290 408 V C -0.633 175.035 176.094 -0.710 0.000 1.030 408 V CA -0.999 60.976 62.300 -0.542 0.000 0.881 408 V CB 0.839 32.516 31.823 -0.243 0.000 0.983 408 V HN 0.462 nan 8.190 nan 0.000 0.445 409 F N 2.133 122.097 119.950 0.023 0.000 2.563 409 F HA 0.600 5.127 4.527 -0.000 0.000 0.316 409 F C 0.307 176.290 175.800 0.306 0.000 1.076 409 F CA -1.081 56.976 58.000 0.094 0.000 0.921 409 F CB 1.758 40.727 39.000 -0.052 0.000 1.209 409 F HN 0.258 nan 8.300 nan 0.000 0.462 410 K N 1.937 122.582 120.400 0.409 0.000 2.118 410 K HA 0.650 4.970 4.320 -0.000 0.000 0.264 410 K C -1.074 175.876 176.600 0.583 0.000 1.000 410 K CA -0.489 55.986 56.287 0.314 0.000 0.929 410 K CB 1.219 33.715 32.500 -0.006 0.000 1.021 410 K HN 0.598 nan 8.250 nan 0.000 0.463 411 F N -1.662 118.432 119.950 0.240 0.000 2.685 411 F HA 0.326 4.853 4.527 -0.000 0.000 0.315 411 F C 0.358 176.111 175.800 -0.077 0.000 1.126 411 F CA -0.843 57.269 58.000 0.186 0.000 0.950 411 F CB 1.366 40.437 39.000 0.118 0.000 1.360 411 F HN 0.381 nan 8.300 nan 0.000 0.469 412 Q N 0.565 120.354 119.800 -0.019 0.000 2.514 412 Q HA 0.174 4.514 4.340 -0.000 0.000 0.208 412 Q C -0.546 175.565 176.000 0.185 0.000 0.938 412 Q CA 0.434 56.172 55.803 -0.108 0.000 0.892 412 Q CB 0.322 29.049 28.738 -0.019 0.000 1.050 412 Q HN 0.807 nan 8.270 nan 0.000 0.595 413 N N -0.747 118.087 118.700 0.223 0.000 2.402 413 N HA 0.073 4.812 4.740 -0.000 0.000 0.294 413 N C 0.095 175.672 175.510 0.112 0.000 1.203 413 N CA -0.512 52.646 53.050 0.180 0.000 0.838 413 N CB 1.122 39.627 38.487 0.030 0.000 1.306 413 N HN -0.012 nan 8.380 nan 0.000 0.510 414 E N -0.056 120.170 120.200 0.043 0.000 2.072 414 E HA -0.227 4.123 4.350 -0.000 0.000 0.191 414 E C 0.581 176.830 176.600 -0.585 0.000 0.985 414 E CA 1.246 57.516 56.400 -0.217 0.000 0.801 414 E CB 0.078 29.566 29.700 -0.354 0.000 0.750 414 E HN 0.689 nan 8.360 nan 0.000 0.452 415 E N 1.038 121.003 120.200 -0.391 0.000 2.051 415 E HA -0.236 4.114 4.350 -0.000 0.000 0.192 415 E C 1.989 178.369 176.600 -0.365 0.000 0.991 415 E CA 1.770 57.973 56.400 -0.327 0.000 0.799 415 E CB -0.208 29.378 29.700 -0.189 0.000 0.748 415 E HN 0.536 nan 8.360 nan 0.000 0.449 416 E N 0.583 120.497 120.200 -0.477 0.000 2.110 416 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 416 E C 2.167 177.928 176.600 -1.398 0.000 0.988 416 E CA 1.313 57.191 56.400 -0.869 0.000 0.804 416 E CB -0.368 28.780 29.700 -0.921 0.000 0.745 416 E HN 0.162 nan 8.360 nan 0.000 0.458 417 V N 0.089 119.362 119.914 -1.068 0.000 2.548 417 V HA -0.151 3.969 4.120 -0.000 0.000 0.249 417 V C 1.785 177.592 176.094 -0.478 0.000 1.055 417 V CA 1.147 62.821 62.300 -1.043 0.000 1.065 417 V CB -0.549 30.467 31.823 -1.345 0.000 0.681 417 V HN 0.223 nan 8.190 nan 0.000 0.462 418 F N 1.077 120.786 119.950 -0.402 0.000 2.146 418 F HA -0.025 4.502 4.527 -0.000 0.000 0.298 418 F C 2.535 178.251 175.800 -0.141 0.000 1.096 418 F CA 1.012 58.949 58.000 -0.105 0.000 1.275 418 F CB -1.621 37.400 39.000 0.034 0.000 1.008 418 F HN 0.243 nan 8.300 nan 0.000 0.480 419 A N -0.372 122.425 122.820 -0.040 0.000 1.908 419 A HA -0.204 4.116 4.320 -0.000 0.000 0.218 419 A C 2.057 179.670 177.584 0.049 0.000 1.181 419 A CA 1.600 53.617 52.037 -0.033 0.000 0.627 419 A CB -1.245 17.708 19.000 -0.077 0.000 0.818 419 A HN 0.448 nan 8.150 nan 0.000 0.445 420 W N -0.083 121.064 121.300 -0.255 0.000 2.436 420 W HA -0.047 4.613 4.660 -0.000 0.000 0.284 420 W C 2.028 178.389 176.519 -0.264 0.000 1.225 420 W CA 0.499 57.637 57.345 -0.344 0.000 1.271 420 W CB -1.460 27.617 29.460 -0.638 0.000 1.114 420 W HN 0.580 nan 8.180 nan 0.000 0.559 421 N N 1.028 119.666 118.700 -0.103 0.000 2.061 421 N HA -0.211 4.529 4.740 -0.000 0.000 0.193 421 N C 1.260 176.797 175.510 0.046 0.000 1.030 421 N CA 2.017 55.082 53.050 0.024 0.000 0.856 421 N CB -0.418 38.136 38.487 0.113 0.000 1.023 421 N HN -0.129 nan 8.380 nan 0.000 0.424 422 N N 0.089 118.805 118.700 0.027 0.000 2.463 422 N HA -0.065 4.675 4.740 -0.000 0.000 0.181 422 N C 0.948 176.462 175.510 0.007 0.000 1.078 422 N CA 0.587 53.637 53.050 -0.001 0.000 0.902 422 N CB -0.142 38.341 38.487 -0.007 0.000 0.970 422 N HN 0.683 nan 8.380 nan 0.000 0.451 423 E N 0.343 120.568 120.200 0.041 0.000 2.347 423 E HA -0.053 4.297 4.350 -0.000 0.000 0.196 423 E C 0.856 177.442 176.600 -0.024 0.000 1.008 423 E CA 0.205 56.644 56.400 0.066 0.000 0.852 423 E CB -0.105 29.711 29.700 0.192 0.000 0.783 423 E HN 0.109 nan 8.360 nan 0.000 0.505 424 V N -0.962 118.856 119.914 -0.161 0.000 3.385 424 V HA 0.124 4.244 4.120 -0.000 0.000 0.301 424 V C 1.019 177.019 176.094 -0.157 0.000 1.082 424 V CA -0.715 61.427 62.300 -0.264 0.000 1.085 424 V CB 1.421 33.060 31.823 -0.306 0.000 1.152 424 V HN -0.073 nan 8.190 nan 0.000 0.465 425 K N -0.320 119.961 120.400 -0.199 0.000 2.314 425 K HA 0.140 4.460 4.320 -0.000 0.000 0.198 425 K C 0.817 177.275 176.600 -0.236 0.000 1.045 425 K CA 0.553 56.608 56.287 -0.386 0.000 0.988 425 K CB -0.140 31.880 32.500 -0.799 0.000 0.783 425 K HN 0.839 nan 8.250 nan 0.000 0.484 426 Q N -0.425 119.323 119.800 -0.086 0.000 2.417 426 Q HA 0.375 4.715 4.340 -0.000 0.000 0.241 426 Q C 0.706 176.705 176.000 -0.003 0.000 1.008 426 Q CA 0.346 56.157 55.803 0.014 0.000 0.901 426 Q CB 0.778 29.551 28.738 0.058 0.000 1.259 426 Q HN 0.253 nan 8.270 nan 0.000 0.489 427 G N 0.306 109.111 108.800 0.008 0.000 5.252 427 G HA2 0.219 4.179 3.960 -0.000 0.000 0.214 427 G HA3 0.219 4.179 3.960 -0.000 0.000 0.214 427 G C -0.426 174.443 174.900 -0.051 0.000 0.817 427 G CA -0.208 44.875 45.100 -0.028 0.000 0.715 427 G HN 0.418 nan 8.290 nan 0.000 0.480 428 L N 0.195 121.402 121.223 -0.028 0.000 2.121 428 L HA 0.603 4.943 4.340 -0.000 0.000 0.200 428 L C 1.001 177.819 176.870 -0.088 0.000 1.132 428 L CA 1.307 56.105 54.840 -0.071 0.000 0.782 428 L CB -0.017 42.032 42.059 -0.016 0.000 0.940 428 L HN 0.173 nan 8.230 nan 0.000 0.458 429 S N -1.505 114.191 115.700 -0.007 0.000 2.634 429 S HA 0.801 5.271 4.470 -0.000 0.000 0.296 429 S C -1.008 173.647 174.600 0.092 0.000 1.104 429 S CA -0.005 58.209 58.200 0.024 0.000 0.920 429 S CB 1.216 64.459 63.200 0.071 0.000 1.111 429 S HN 0.669 nan 8.310 nan 0.000 0.493 430 S N 1.022 116.806 115.700 0.140 0.000 2.543 430 S HA 0.749 5.219 4.470 -0.000 0.000 0.274 430 S C -1.439 173.398 174.600 0.396 0.000 1.149 430 S CA -0.714 57.655 58.200 0.282 0.000 0.866 430 S CB 1.285 64.625 63.200 0.234 0.000 1.111 430 S HN 0.617 nan 8.310 nan 0.000 0.457 431 S N 1.317 117.275 115.700 0.430 0.000 2.536 431 S HA 0.708 5.178 4.470 -0.000 0.000 0.271 431 S C -0.678 173.954 174.600 0.053 0.000 1.134 431 S CA -0.892 57.482 58.200 0.290 0.000 0.897 431 S CB 1.144 64.506 63.200 0.270 0.000 1.094 431 S HN 1.077 nan 8.310 nan 0.000 0.473 432 I N -0.820 119.578 120.570 -0.287 0.000 2.603 432 I HA 0.735 4.905 4.170 -0.000 0.000 0.300 432 I C -1.581 174.421 176.117 -0.191 0.000 1.017 432 I CA -0.916 60.208 61.300 -0.294 0.000 1.098 432 I CB 1.303 38.878 38.000 -0.708 0.000 1.279 432 I HN 0.463 nan 8.210 nan 0.000 0.437 433 F N 3.435 123.428 119.950 0.073 0.000 2.402 433 F HA 0.688 5.215 4.527 -0.000 0.000 0.355 433 F C 0.405 176.308 175.800 0.172 0.000 1.123 433 F CA -0.373 57.689 58.000 0.102 0.000 1.021 433 F CB 1.961 41.026 39.000 0.109 0.000 1.160 433 F HN 0.681 nan 8.300 nan 0.000 0.451 434 T N 1.904 116.550 114.554 0.153 0.000 2.770 434 T HA 0.252 4.601 4.350 -0.000 0.000 0.323 434 T C -0.157 174.551 174.700 0.012 0.000 1.683 434 T CA -0.742 61.409 62.100 0.086 0.000 1.024 434 T CB 1.535 70.355 68.868 -0.079 0.000 1.557 434 T HN 0.663 nan 8.240 nan 0.000 0.494 435 K N 0.541 120.944 120.400 0.004 0.000 2.358 435 K HA 0.178 4.498 4.320 -0.000 0.000 0.200 435 K C -0.018 176.569 176.600 -0.021 0.000 1.030 435 K CA -0.340 55.946 56.287 -0.002 0.000 1.097 435 K CB 0.450 32.960 32.500 0.017 0.000 0.862 435 K HN 0.450 nan 8.250 nan 0.000 0.534 436 D N 1.872 122.237 120.400 -0.059 0.000 2.336 436 D HA -0.026 4.614 4.640 -0.000 0.000 0.249 436 D C 0.956 177.242 176.300 -0.023 0.000 1.213 436 D CA -0.104 53.860 54.000 -0.059 0.000 0.870 436 D CB 1.206 41.932 40.800 -0.124 0.000 1.076 436 D HN -0.074 nan 8.370 nan 0.000 0.483 437 L N 5.459 126.702 121.223 0.032 0.000 2.012 437 L HA -0.050 4.290 4.340 -0.000 0.000 0.210 437 L C 2.189 179.177 176.870 0.196 0.000 1.073 437 L CA 2.478 57.391 54.840 0.122 0.000 0.748 437 L CB -0.758 41.371 42.059 0.117 0.000 0.891 437 L HN 0.588 nan 8.230 nan 0.000 0.431 438 G N -1.197 107.668 108.800 0.109 0.000 2.408 438 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.217 438 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.217 438 G C 1.796 176.769 174.900 0.122 0.000 1.150 438 G CA 0.722 45.893 45.100 0.119 0.000 0.776 438 G HN 0.424 nan 8.290 nan 0.000 0.542 439 R N 0.012 120.528 120.500 0.028 0.000 2.081 439 R HA 0.022 4.362 4.340 -0.000 0.000 0.235 439 R C 2.504 178.862 176.300 0.097 0.000 1.131 439 R CA 1.129 57.224 56.100 -0.008 0.000 0.960 439 R CB -0.324 29.828 30.300 -0.246 0.000 0.856 439 R HN 0.418 nan 8.270 nan 0.000 0.436 440 I N 0.015 120.604 120.570 0.032 0.000 2.142 440 I HA -0.294 3.876 4.170 -0.000 0.000 0.240 440 I C 1.795 177.893 176.117 -0.033 0.000 1.078 440 I CA 1.472 62.756 61.300 -0.026 0.000 1.343 440 I CB -0.262 37.654 38.000 -0.139 0.000 1.046 440 I HN 0.140 nan 8.210 nan 0.000 0.405 441 F N 0.694 120.692 119.950 0.081 0.000 2.234 441 F HA -0.098 4.429 4.527 -0.000 0.000 0.299 441 F C 2.616 178.472 175.800 0.093 0.000 1.087 441 F CA 1.103 59.144 58.000 0.068 0.000 1.340 441 F CB -0.415 38.605 39.000 0.034 0.000 1.031 441 F HN -0.112 nan 8.300 nan 0.000 0.500 442 R N -0.589 120.084 120.500 0.288 0.000 2.096 442 R HA -0.231 4.109 4.340 -0.000 0.000 0.235 442 R C 2.260 178.747 176.300 0.311 0.000 1.127 442 R CA 1.546 57.817 56.100 0.285 0.000 0.968 442 R CB -0.897 29.582 30.300 0.298 0.000 0.861 442 R HN 0.506 nan 8.270 nan 0.000 0.440 443 W N 1.573 122.905 121.300 0.053 0.000 2.342 443 W HA -0.163 4.497 4.660 -0.000 0.000 0.297 443 W C 1.035 177.411 176.519 -0.238 0.000 1.213 443 W CA 1.106 58.281 57.345 -0.284 0.000 1.251 443 W CB 0.024 29.310 29.460 -0.290 0.000 1.136 443 W HN 0.098 nan 8.180 nan 0.000 0.526 444 L N 0.407 121.568 121.223 -0.103 0.000 2.554 444 L HA 0.151 4.491 4.340 -0.000 0.000 0.226 444 L C 1.511 178.306 176.870 -0.125 0.000 1.137 444 L CA 0.364 55.083 54.840 -0.203 0.000 0.863 444 L CB -1.015 40.959 42.059 -0.140 0.000 0.985 444 L HN -0.127 nan 8.230 nan 0.000 0.451 445 G N -0.199 108.573 108.800 -0.046 0.000 2.583 445 G HA2 0.297 4.257 3.960 -0.000 0.000 0.280 445 G HA3 0.297 4.257 3.960 -0.000 0.000 0.280 445 G C -1.790 173.083 174.900 -0.045 0.000 1.376 445 G CA -0.570 44.525 45.100 -0.008 0.000 1.043 445 G HN -0.122 nan 8.290 nan 0.000 0.538 446 P HA 0.051 nan 4.420 nan 0.000 0.229 446 P C 0.700 177.990 177.300 -0.017 0.000 1.160 446 P CA 0.838 63.921 63.100 -0.029 0.000 0.777 446 P CB 0.363 32.057 31.700 -0.011 0.000 0.814 447 K N -0.168 120.246 120.400 0.022 0.000 2.437 447 K HA 0.301 4.621 4.320 -0.000 0.000 0.205 447 K C 1.256 177.929 176.600 0.122 0.000 1.026 447 K CA -0.017 56.310 56.287 0.067 0.000 1.153 447 K CB 0.557 33.114 32.500 0.094 0.000 0.863 447 K HN 0.105 nan 8.250 nan 0.000 0.502 448 G N 0.653 109.441 108.800 -0.020 0.000 2.773 448 G HA2 0.069 4.029 3.960 -0.000 0.000 0.186 448 G HA3 0.069 4.029 3.960 -0.000 0.000 0.186 448 G C -0.425 174.194 174.900 -0.469 0.000 1.411 448 G CA -0.358 44.604 45.100 -0.229 0.000 1.054 448 G HN 0.124 nan 8.290 nan 0.000 0.579 449 S N -0.018 115.085 115.700 -0.995 0.000 2.560 449 S HA 0.125 4.595 4.470 -0.000 0.000 0.284 449 S C 0.787 175.063 174.600 -0.540 0.000 1.327 449 S CA 0.383 57.982 58.200 -1.003 0.000 1.055 449 S CB 0.668 62.854 63.200 -1.689 0.000 0.868 449 S HN 0.569 nan 8.310 nan 0.000 0.506 450 D N 2.384 122.579 120.400 -0.343 0.000 2.342 450 D HA 0.144 4.784 4.640 -0.000 0.000 0.221 450 D C 0.267 176.448 176.300 -0.197 0.000 1.101 450 D CA -0.269 53.599 54.000 -0.219 0.000 0.837 450 D CB -0.851 39.870 40.800 -0.132 0.000 0.938 450 D HN 0.283 nan 8.370 nan 0.000 0.508 451 C N -0.280 118.870 119.300 -0.250 0.000 2.422 451 C HA 0.676 5.136 4.460 -0.000 0.000 0.364 451 C C 2.212 177.080 174.990 -0.203 0.000 1.251 451 C CA -0.210 58.693 59.018 -0.192 0.000 2.441 451 C CB 1.094 28.735 27.740 -0.165 0.000 2.393 451 C HN 0.459 nan 8.230 nan 0.000 0.606 452 G N 0.505 109.195 108.800 -0.184 0.000 2.511 452 G HA2 0.115 4.075 3.960 -0.000 0.000 0.217 452 G HA3 0.115 4.075 3.960 -0.000 0.000 0.217 452 G C 0.374 175.145 174.900 -0.215 0.000 1.133 452 G CA 0.755 45.733 45.100 -0.203 0.000 0.792 452 G HN 0.584 nan 8.290 nan 0.000 0.539 453 I N 1.342 121.794 120.570 -0.198 0.000 2.418 453 I HA 0.381 4.551 4.170 -0.000 0.000 0.287 453 I C -1.019 175.022 176.117 -0.125 0.000 1.008 453 I CA -1.103 60.108 61.300 -0.149 0.000 1.104 453 I CB 1.687 39.619 38.000 -0.113 0.000 1.264 453 I HN -0.288 nan 8.210 nan 0.000 0.438 454 V N 6.562 126.392 119.914 -0.139 0.000 2.340 454 V HA 0.418 4.538 4.120 -0.000 0.000 0.277 454 V C -0.208 175.885 176.094 -0.002 0.000 1.017 454 V CA -0.617 61.569 62.300 -0.190 0.000 0.820 454 V CB 1.398 32.944 31.823 -0.462 0.000 1.028 454 V HN 0.640 nan 8.190 nan 0.000 0.436 455 N N 2.548 121.362 118.700 0.190 0.000 2.443 455 N HA 0.774 5.514 4.740 -0.000 0.000 0.293 455 N C -0.893 174.700 175.510 0.139 0.000 1.159 455 N CA -0.444 52.686 53.050 0.133 0.000 0.904 455 N CB 2.519 41.058 38.487 0.088 0.000 1.214 455 N HN 0.325 nan 8.380 nan 0.000 0.513 456 V N 2.134 122.017 119.914 -0.052 0.000 2.569 456 V HA 0.319 4.439 4.120 -0.000 0.000 0.301 456 V C -0.158 175.721 176.094 -0.358 0.000 1.044 456 V CA -0.810 61.369 62.300 -0.201 0.000 0.874 456 V CB 1.337 33.083 31.823 -0.129 0.000 1.002 456 V HN 0.708 nan 8.190 nan 0.000 0.424 457 N N 2.332 120.575 118.700 -0.762 0.000 2.741 457 N HA -0.197 4.543 4.740 -0.000 0.000 0.251 457 N C -0.548 174.640 175.510 -0.536 0.000 1.112 457 N CA 1.444 53.951 53.050 -0.904 0.000 0.750 457 N CB -0.604 37.699 38.487 -0.308 0.000 1.119 457 N HN 0.780 nan 8.380 nan 0.000 0.561 458 I N -0.754 119.541 120.570 -0.460 0.000 2.752 458 I HA 0.455 4.625 4.170 -0.000 0.000 0.295 458 I C -2.462 173.730 176.117 0.125 0.000 1.219 458 I CA -1.926 59.363 61.300 -0.018 0.000 1.030 458 I CB 2.909 40.911 38.000 0.003 0.000 1.259 458 I HN -0.261 nan 8.210 nan 0.000 0.423 459 P HA 0.199 nan 4.420 nan 0.000 0.302 459 P C 0.453 177.921 177.300 0.280 0.000 1.307 459 P CA 0.097 63.434 63.100 0.395 0.000 0.754 459 P CB 0.317 32.269 31.700 0.420 0.000 1.298 460 T N -3.882 110.834 114.554 0.270 0.000 2.995 460 T HA -0.079 4.271 4.350 -0.000 0.000 0.269 460 T C 1.555 176.381 174.700 0.211 0.000 1.091 460 T CA 1.430 63.663 62.100 0.222 0.000 1.128 460 T CB -1.354 67.641 68.868 0.211 0.000 0.891 460 T HN 0.453 nan 8.240 nan 0.000 0.492 461 S N 0.804 116.647 115.700 0.238 0.000 2.631 461 S HA 0.332 4.802 4.470 -0.000 0.000 0.217 461 S C 1.229 175.984 174.600 0.259 0.000 0.958 461 S CA -0.351 57.999 58.200 0.250 0.000 0.920 461 S CB -0.368 62.977 63.200 0.241 0.000 0.776 461 S HN 0.667 nan 8.310 nan 0.000 0.517 462 G N 1.115 110.049 108.800 0.222 0.000 2.396 462 G HA2 0.568 4.528 3.960 -0.000 0.000 0.292 462 G HA3 0.568 4.528 3.960 -0.000 0.000 0.292 462 G C -0.286 174.691 174.900 0.128 0.000 1.106 462 G CA 0.080 45.276 45.100 0.161 0.000 1.055 462 G HN 0.720 nan 8.290 nan 0.000 0.424 463 A N 3.026 125.913 122.820 0.111 0.000 2.612 463 A HA 0.901 5.221 4.320 -0.000 0.000 0.293 463 A C -0.564 177.026 177.584 0.010 0.000 1.075 463 A CA -0.865 51.219 52.037 0.079 0.000 0.680 463 A CB 1.675 20.787 19.000 0.186 0.000 1.279 463 A HN 0.854 nan 8.150 nan 0.000 0.411 464 E N -0.000 120.172 120.200 -0.047 0.000 2.433 464 E HA 0.515 4.865 4.350 -0.000 0.000 0.278 464 E C 0.312 176.798 176.600 -0.191 0.000 0.976 464 E CA -0.446 55.901 56.400 -0.089 0.000 0.793 464 E CB 1.266 30.932 29.700 -0.057 0.000 1.311 464 E HN 0.823 nan 8.360 nan 0.000 0.460 465 I N -1.439 118.992 120.570 -0.231 0.000 2.614 465 I HA 0.076 4.246 4.170 -0.000 0.000 0.258 465 I C 1.661 177.474 176.117 -0.508 0.000 1.189 465 I CA 1.422 62.485 61.300 -0.395 0.000 1.462 465 I CB -0.306 37.477 38.000 -0.360 0.000 1.092 465 I HN 0.611 nan 8.210 nan 0.000 0.442 466 G N 1.133 109.713 108.800 -0.367 0.000 2.471 466 G HA2 0.122 4.082 3.960 -0.000 0.000 0.219 466 G HA3 0.122 4.082 3.960 -0.000 0.000 0.219 466 G C 0.851 175.652 174.900 -0.166 0.000 1.125 466 G CA 0.481 45.399 45.100 -0.303 0.000 0.775 466 G HN 0.592 nan 8.290 nan 0.000 0.548 467 G N -0.741 107.965 108.800 -0.156 0.000 2.437 467 G HA2 0.588 4.548 3.960 -0.000 0.000 0.319 467 G HA3 0.588 4.548 3.960 -0.000 0.000 0.319 467 G C -0.132 174.699 174.900 -0.115 0.000 1.158 467 G CA 0.057 45.097 45.100 -0.099 0.000 0.899 467 G HN 0.450 nan 8.290 nan 0.000 0.502 468 A N 0.225 122.998 122.820 -0.078 0.000 2.477 468 A HA 0.522 4.842 4.320 -0.000 0.000 0.246 468 A C -0.907 176.632 177.584 -0.076 0.000 1.078 468 A CA -0.160 51.831 52.037 -0.077 0.000 0.770 468 A CB 0.129 19.087 19.000 -0.070 0.000 1.011 468 A HN 0.768 nan 8.150 nan 0.000 0.494 469 F N 2.485 122.289 119.950 -0.244 0.000 2.449 469 F HA 0.643 5.170 4.527 -0.000 0.000 0.342 469 F C 0.448 176.151 175.800 -0.162 0.000 1.127 469 F CA 0.803 58.646 58.000 -0.262 0.000 0.975 469 F CB 1.395 40.101 39.000 -0.491 0.000 1.146 469 F HN 1.013 nan 8.300 nan 0.000 0.444 470 G N 2.630 110.954 108.800 -0.793 0.000 2.327 470 G HA2 0.467 4.427 3.960 -0.000 0.000 0.291 470 G HA3 0.467 4.427 3.960 -0.000 0.000 0.291 470 G C -1.469 173.185 174.900 -0.410 0.000 1.290 470 G CA -0.183 44.606 45.100 -0.518 0.000 0.857 470 G HN 1.087 nan 8.290 nan 0.000 0.520 471 G N -1.543 107.120 108.800 -0.228 0.000 3.022 471 G HA2 0.716 4.676 3.960 -0.000 0.000 0.284 471 G HA3 0.716 4.676 3.960 -0.000 0.000 0.284 471 G C -1.282 173.561 174.900 -0.095 0.000 1.375 471 G CA -0.371 44.630 45.100 -0.164 0.000 0.902 471 G HN 0.545 nan 8.290 nan 0.000 0.538 472 E N -0.272 119.885 120.200 -0.072 0.000 2.396 472 E HA 0.465 4.815 4.350 -0.000 0.000 0.251 472 E C 0.063 176.665 176.600 0.003 0.000 0.949 472 E CA -0.573 55.801 56.400 -0.043 0.000 0.834 472 E CB 1.627 31.288 29.700 -0.064 0.000 1.309 472 E HN 0.638 nan 8.360 nan 0.000 0.405 473 K N -0.371 120.045 120.400 0.026 0.000 1.844 473 K HA -0.280 4.040 4.320 -0.000 0.000 0.160 473 K C 1.265 177.979 176.600 0.190 0.000 1.448 473 K CA 1.511 57.856 56.287 0.097 0.000 0.446 473 K CB -1.149 31.379 32.500 0.046 0.000 0.635 473 K HN 0.645 nan 8.250 nan 0.000 0.848 474 H N 0.752 119.824 119.070 0.004 0.000 2.563 474 H HA -0.006 4.550 4.556 -0.000 0.000 0.272 474 H C 1.361 176.704 175.328 0.025 0.000 1.005 474 H CA 0.985 57.043 56.048 0.016 0.000 1.171 474 H CB -0.004 29.774 29.762 0.027 0.000 1.351 474 H HN 0.380 nan 8.280 nan 0.000 0.602 475 T N -0.943 113.689 114.554 0.130 0.000 3.055 475 T HA 0.022 4.372 4.350 -0.000 0.000 0.265 475 T C 1.844 176.578 174.700 0.056 0.000 1.111 475 T CA 0.910 63.057 62.100 0.079 0.000 1.118 475 T CB 0.139 69.026 68.868 0.031 0.000 0.909 475 T HN 0.721 nan 8.240 nan 0.000 0.501 476 G N 0.210 109.034 108.800 0.040 0.000 2.232 476 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.226 476 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.226 476 G C 1.064 175.967 174.900 0.004 0.000 0.996 476 G CA 0.237 45.349 45.100 0.021 0.000 0.626 476 G HN 1.217 nan 8.290 nan 0.000 0.509 477 G N -0.720 108.074 108.800 -0.011 0.000 2.217 477 G HA2 0.188 4.148 3.960 -0.000 0.000 0.246 477 G HA3 0.188 4.148 3.960 -0.000 0.000 0.246 477 G C 1.558 176.436 174.900 -0.036 0.000 0.990 477 G CA 1.090 46.172 45.100 -0.030 0.000 0.627 477 G HN 2.157 nan 8.290 nan 0.000 0.522 478 G N -0.194 108.596 108.800 -0.016 0.000 2.594 478 G HA2 0.527 4.487 3.960 -0.000 0.000 0.243 478 G HA3 0.527 4.487 3.960 -0.000 0.000 0.243 478 G C -0.026 174.859 174.900 -0.025 0.000 1.229 478 G CA -0.181 44.909 45.100 -0.016 0.000 0.843 478 G HN 0.401 nan 8.290 nan 0.000 0.578 479 R N 0.285 120.773 120.500 -0.020 0.000 2.744 479 R HA 0.457 4.797 4.340 -0.000 0.000 0.279 479 R C -0.610 175.733 176.300 0.071 0.000 0.977 479 R CA -0.639 55.458 56.100 -0.005 0.000 0.906 479 R CB 2.330 32.602 30.300 -0.046 0.000 1.197 479 R HN 0.727 nan 8.270 nan 0.000 0.463 480 E N -0.026 120.227 120.200 0.088 0.000 2.359 480 E HA 0.463 4.812 4.350 -0.000 0.000 0.266 480 E C -0.184 176.369 176.600 -0.079 0.000 0.920 480 E CA -0.729 55.734 56.400 0.104 0.000 0.788 480 E CB 2.180 31.982 29.700 0.171 0.000 1.279 480 E HN 0.603 nan 8.360 nan 0.000 0.438 481 S N -0.675 114.969 115.700 -0.094 0.000 4.156 481 S HA -0.197 4.273 4.470 -0.000 0.000 0.621 481 S C 0.786 175.346 174.600 -0.066 0.000 1.870 481 S CA 1.037 59.096 58.200 -0.236 0.000 4.247 481 S CB -1.656 61.147 63.200 -0.663 0.000 0.203 481 S HN 0.842 nan 8.310 nan 0.000 0.460 482 G N 0.231 108.944 108.800 -0.144 0.000 2.543 482 G HA2 0.571 4.531 3.960 -0.000 0.000 0.267 482 G HA3 0.571 4.531 3.960 -0.000 0.000 0.267 482 G C 0.578 175.533 174.900 0.091 0.000 1.406 482 G CA 0.937 46.023 45.100 -0.023 0.000 1.048 482 G HN 1.943 nan 8.290 nan 0.000 0.548 483 S N -0.703 115.077 115.700 0.134 0.000 3.711 483 S HA -0.325 4.145 4.470 -0.000 0.000 0.625 483 S C 1.016 175.698 174.600 0.136 0.000 2.458 483 S CA 2.222 60.486 58.200 0.107 0.000 4.059 483 S CB -1.401 61.809 63.200 0.016 0.000 0.257 483 S HN 1.312 nan 8.310 nan 0.000 0.974 484 D N 1.464 121.846 120.400 -0.030 0.000 2.460 484 D HA 0.579 5.219 4.640 -0.000 0.000 0.229 484 D C 1.219 177.251 176.300 -0.447 0.000 1.170 484 D CA 0.841 54.654 54.000 -0.312 0.000 0.827 484 D CB -0.487 40.063 40.800 -0.416 0.000 0.973 484 D HN 0.736 nan 8.370 nan 0.000 0.496 485 A N 1.192 123.940 122.820 -0.121 0.000 1.986 485 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 485 A C 1.973 179.597 177.584 0.067 0.000 1.171 485 A CA 1.364 53.386 52.037 -0.025 0.000 0.640 485 A CB -1.439 17.617 19.000 0.093 0.000 0.811 485 A HN 0.674 nan 8.150 nan 0.000 0.451 486 W N 0.392 121.758 121.300 0.110 0.000 2.341 486 W HA -0.207 4.453 4.660 -0.000 0.000 0.283 486 W C 1.199 177.788 176.519 0.117 0.000 1.215 486 W CA 1.287 58.715 57.345 0.139 0.000 1.211 486 W CB -0.763 28.681 29.460 -0.026 0.000 1.131 486 W HN 0.298 nan 8.180 nan 0.000 0.552 487 K N 0.977 120.880 120.400 -0.827 0.000 2.209 487 K HA -0.170 4.150 4.320 -0.000 0.000 0.204 487 K C 2.162 178.693 176.600 -0.116 0.000 1.048 487 K CA 1.800 57.576 56.287 -0.852 0.000 0.940 487 K CB -0.326 31.430 32.500 -1.239 0.000 0.729 487 K HN 0.291 nan 8.250 nan 0.000 0.451 488 Q N -0.600 119.147 119.800 -0.089 0.000 2.364 488 Q HA -0.125 4.215 4.340 -0.000 0.000 0.207 488 Q C 0.624 176.534 176.000 -0.150 0.000 0.970 488 Q CA 1.138 56.859 55.803 -0.136 0.000 0.888 488 Q CB 0.085 28.646 28.738 -0.295 0.000 0.951 488 Q HN 0.460 nan 8.270 nan 0.000 0.469 489 Y N -0.878 119.505 120.300 0.138 0.000 2.468 489 Y HA 0.271 4.821 4.550 -0.000 0.000 0.268 489 Y C 0.478 176.527 175.900 0.248 0.000 1.177 489 Y CA -0.141 58.070 58.100 0.184 0.000 1.265 489 Y CB 0.448 39.025 38.460 0.195 0.000 1.103 489 Y HN 0.003 nan 8.280 nan 0.000 0.522 490 M N 0.221 120.068 119.600 0.412 0.000 2.631 490 M HA 0.430 4.910 4.480 -0.000 0.000 0.288 490 M C -0.850 175.721 176.300 0.451 0.000 1.260 490 M CA -1.001 54.595 55.300 0.494 0.000 0.842 490 M CB 2.997 36.027 32.600 0.717 0.000 1.743 490 M HN -0.022 nan 8.290 nan 0.000 0.461 491 R N 1.048 121.748 120.500 0.334 0.000 2.338 491 R HA 0.596 4.936 4.340 -0.000 0.000 0.317 491 R C -0.743 175.487 176.300 -0.116 0.000 0.968 491 R CA -0.843 55.327 56.100 0.116 0.000 0.849 491 R CB 1.743 32.078 30.300 0.058 0.000 1.128 491 R HN 0.644 nan 8.270 nan 0.000 0.448 492 R N 2.261 122.447 120.500 -0.523 0.000 2.340 492 R HA 0.131 4.471 4.340 -0.000 0.000 0.300 492 R C -0.825 175.187 176.300 -0.480 0.000 1.069 492 R CA -0.047 55.444 56.100 -1.014 0.000 0.984 492 R CB 0.928 30.539 30.300 -1.149 0.000 1.003 492 R HN 0.952 nan 8.270 nan 0.000 0.459 493 S N 1.716 117.165 115.700 -0.419 0.000 2.513 493 S HA 0.404 4.874 4.470 -0.000 0.000 0.299 493 S C -0.721 173.761 174.600 -0.196 0.000 1.087 493 S CA -0.807 57.257 58.200 -0.227 0.000 1.012 493 S CB 2.200 65.323 63.200 -0.127 0.000 1.044 493 S HN 0.481 nan 8.310 nan 0.000 0.485 494 T N 2.169 116.648 114.554 -0.126 0.000 2.770 494 T HA 0.491 4.841 4.350 -0.000 0.000 0.297 494 T C -0.714 173.962 174.700 -0.041 0.000 0.997 494 T CA -0.425 61.629 62.100 -0.077 0.000 0.949 494 T CB -0.181 68.648 68.868 -0.065 0.000 0.941 494 T HN 0.804 nan 8.240 nan 0.000 0.457 495 C N 3.770 123.059 119.300 -0.018 0.000 2.301 495 C HA 0.613 5.073 4.460 -0.000 0.000 0.323 495 C C 0.713 175.721 174.990 0.030 0.000 1.265 495 C CA -0.936 58.083 59.018 0.003 0.000 1.503 495 C CB 0.278 28.020 27.740 0.005 0.000 2.195 495 C HN 0.811 nan 8.230 nan 0.000 0.477 496 T N 4.380 118.958 114.554 0.040 0.000 2.771 496 T HA 0.567 4.917 4.350 -0.000 0.000 0.281 496 T C -0.248 174.505 174.700 0.088 0.000 0.982 496 T CA -0.033 62.114 62.100 0.078 0.000 0.978 496 T CB 0.461 69.378 68.868 0.082 0.000 0.930 496 T HN 0.486 nan 8.240 nan 0.000 0.447 497 I N 3.815 124.450 120.570 0.107 0.000 2.420 497 I HA 0.282 4.452 4.170 -0.000 0.000 0.282 497 I C 0.013 176.122 176.117 -0.013 0.000 1.019 497 I CA -0.934 60.409 61.300 0.072 0.000 1.130 497 I CB 1.224 39.287 38.000 0.106 0.000 1.262 497 I HN 0.442 nan 8.210 nan 0.000 0.454 498 N N 6.089 124.682 118.700 -0.178 0.000 2.402 498 N HA 0.011 4.751 4.740 -0.000 0.000 0.252 498 N C 0.157 175.474 175.510 -0.321 0.000 1.118 498 N CA -0.092 52.595 53.050 -0.605 0.000 0.945 498 N CB 0.355 38.511 38.487 -0.550 0.000 1.147 498 N HN 0.495 nan 8.380 nan 0.000 0.495 499 Y N 0.960 121.113 120.300 -0.246 0.000 2.458 499 Y HA 0.518 5.068 4.550 -0.000 0.000 0.256 499 Y C 0.209 176.043 175.900 -0.110 0.000 1.159 499 Y CA -0.845 57.179 58.100 -0.127 0.000 1.261 499 Y CB -0.198 38.215 38.460 -0.078 0.000 1.119 499 Y HN 0.114 nan 8.280 nan 0.000 0.524 500 S N 0.000 115.514 115.700 -0.310 0.000 2.498 500 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 500 S CA 0.000 58.095 58.200 -0.175 0.000 1.107 500 S CB 0.000 63.029 63.200 -0.285 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517