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 1iwa_1_E DATA FIRST_RESID 6 DATA SEQUENCE TRIKNSRYES GVIPYAMGYW NPDYQVKDTD VLALFRVTPQ PGVDPIEAAA DATA SEQUENCE AVAGESSTAT WTVVWTDLLT AADLYRAKAY KVDQVPNNPE QYFAYIAYEL DATA SEQUENCE DLFEEGSIAN LTASIIGNVF GFKAVKALRL EDMRLPLAYL KTFQGPATGV DATA SEQUENCE ILERERLDKF GRPLLGCTTK PKLGLSGKNY GRVVYEALKG GLDFVKDDEN DATA SEQUENCE INSQPFMRWR ERYLFTMEAV NKASAATGEV KGHYLNVTAA TMEEMYARAN DATA SEQUENCE FAKELGSVII MIDXLVIGYT AIQTMAKWAR DNDMILHLHR AGNSTYSRQK DATA SEQUENCE NHGMNFRVIC KWMRMAGVDH IHAGTVVGKL EGDPIITRGF YKTLLLPKLE DATA SEQUENCE RNLQEGLFFD MEWASLRKVM PVASGGIHAG QMHQLIHYLG EDVVLQFGGG DATA SEQUENCE TIGHPDGIQA GATANRVALE AMILARNENR DYLTEGPEIL REAAKTCGAL DATA SEQUENCE RTALDLWKDI TFNYTSTDTS DFV 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 6 T HA 0.000 nan 4.350 nan 0.000 0.228 6 T C 0.000 174.668 174.700 -0.054 0.000 1.109 6 T CA 0.000 62.076 62.100 -0.040 0.000 1.349 6 T CB 0.000 68.850 68.868 -0.030 0.000 0.612 7 R N 2.267 122.723 120.500 -0.074 0.000 2.629 7 R HA 0.429 4.769 4.340 0.001 0.000 0.386 7 R C 0.216 176.440 176.300 -0.126 0.000 1.071 7 R CA -0.626 55.412 56.100 -0.103 0.000 1.104 7 R CB -0.439 29.784 30.300 -0.127 0.000 1.370 7 R HN 0.669 nan 8.270 nan 0.000 0.574 8 I N 1.484 122.000 120.570 -0.090 0.000 3.079 8 I HA 0.110 4.281 4.170 0.001 0.000 0.295 8 I C 0.225 176.306 176.117 -0.061 0.000 1.094 8 I CA -0.305 60.948 61.300 -0.079 0.000 1.295 8 I CB 0.576 38.550 38.000 -0.044 0.000 1.443 8 I HN -0.157 nan 8.210 nan 0.000 0.607 9 K N 2.371 122.750 120.400 -0.035 0.000 2.258 9 K HA 0.353 4.673 4.320 0.001 0.000 0.236 9 K C -0.360 176.246 176.600 0.009 0.000 1.008 9 K CA -0.714 55.570 56.287 -0.005 0.000 0.869 9 K CB 0.720 33.241 32.500 0.034 0.000 1.171 9 K HN 0.434 nan 8.250 nan 0.000 0.447 10 N N 1.125 119.834 118.700 0.015 0.000 2.727 10 N HA 0.217 4.958 4.740 0.001 0.000 0.252 10 N C -1.488 174.031 175.510 0.015 0.000 1.283 10 N CA 0.040 53.096 53.050 0.009 0.000 0.782 10 N CB 0.333 38.820 38.487 0.001 0.000 1.199 10 N HN 0.713 nan 8.380 nan 0.000 0.520 11 S N 1.718 117.427 115.700 0.014 0.000 3.102 11 S HA 0.144 4.615 4.470 0.001 0.000 0.292 11 S C 0.638 175.203 174.600 -0.060 0.000 1.249 11 S CA -0.511 57.690 58.200 0.001 0.000 1.397 11 S CB 1.021 64.251 63.200 0.051 0.000 1.421 11 S HN 0.276 nan 8.310 nan 0.000 0.410 12 R N 0.637 121.058 120.500 -0.133 0.000 2.193 12 R HA 0.153 4.494 4.340 0.001 0.000 0.229 12 R C 0.402 176.306 176.300 -0.660 0.000 1.110 12 R CA 1.678 57.531 56.100 -0.413 0.000 0.988 12 R CB -0.938 29.025 30.300 -0.561 0.000 0.871 12 R HN 0.710 nan 8.270 nan 0.000 0.458 13 Y N 0.025 120.336 120.300 0.018 0.000 2.751 13 Y HA 0.363 4.913 4.550 0.001 0.000 0.289 13 Y C -0.257 175.673 175.900 0.049 0.000 1.110 13 Y CA -0.730 57.398 58.100 0.048 0.000 1.251 13 Y CB 0.086 38.603 38.460 0.095 0.000 1.178 13 Y HN 0.082 nan 8.280 nan 0.000 0.540 14 E N 0.844 121.081 120.200 0.062 0.000 2.331 14 E HA 0.258 4.609 4.350 0.001 0.000 0.272 14 E C -0.131 176.486 176.600 0.027 0.000 1.036 14 E CA -0.276 56.151 56.400 0.044 0.000 0.864 14 E CB 0.809 30.513 29.700 0.006 0.000 1.035 14 E HN 0.147 nan 8.360 nan 0.000 0.408 15 S N 1.360 117.081 115.700 0.036 0.000 2.563 15 S HA 0.463 4.933 4.470 0.001 0.000 0.284 15 S C 0.163 174.748 174.600 -0.026 0.000 1.331 15 S CA 0.397 58.604 58.200 0.012 0.000 1.047 15 S CB 0.886 64.100 63.200 0.023 0.000 0.859 15 S HN 0.824 nan 8.310 nan 0.000 0.514 16 G N 0.364 109.124 108.800 -0.068 0.000 2.340 16 G HA2 0.163 4.124 3.960 0.001 0.000 0.527 16 G HA3 0.163 4.124 3.960 0.001 0.000 0.527 16 G C -1.491 173.342 174.900 -0.112 0.000 1.381 16 G CA -0.984 44.074 45.100 -0.069 0.000 1.001 16 G HN 0.706 nan 8.290 nan 0.000 0.626 17 V N 1.242 121.112 119.914 -0.072 0.000 2.481 17 V HA 0.763 4.884 4.120 0.001 0.000 0.286 17 V C 0.784 176.836 176.094 -0.071 0.000 1.042 17 V CA -0.072 62.182 62.300 -0.075 0.000 0.928 17 V CB 1.069 32.909 31.823 0.029 0.000 0.986 17 V HN 1.077 nan 8.190 nan 0.000 0.462 18 I N 2.830 123.333 120.570 -0.111 0.000 2.722 18 I HA 0.652 4.823 4.170 0.001 0.000 0.295 18 I C -2.739 173.301 176.117 -0.128 0.000 1.161 18 I CA -2.483 58.760 61.300 -0.095 0.000 1.032 18 I CB 2.609 40.552 38.000 -0.095 0.000 1.244 18 I HN 0.397 nan 8.210 nan 0.000 0.421 19 P HA -0.031 nan 4.420 nan 0.000 0.265 19 P C -0.065 177.229 177.300 -0.009 0.000 1.187 19 P CA 0.389 63.469 63.100 -0.034 0.000 0.766 19 P CB 0.507 32.220 31.700 0.020 0.000 0.820 20 Y N 2.282 122.650 120.300 0.113 0.000 2.114 20 Y HA -0.187 4.363 4.550 0.001 0.000 0.282 20 Y C 2.546 178.567 175.900 0.203 0.000 1.165 20 Y CA 2.042 60.252 58.100 0.183 0.000 1.148 20 Y CB -1.422 37.114 38.460 0.127 0.000 0.972 20 Y HN 0.432 nan 8.280 nan 0.000 0.504 21 A N 0.496 123.489 122.820 0.289 0.000 2.004 21 A HA -0.096 4.225 4.320 0.001 0.000 0.212 21 A C 1.424 179.133 177.584 0.209 0.000 1.442 21 A CA 0.686 52.871 52.037 0.247 0.000 1.450 21 A CB -1.733 17.310 19.000 0.072 0.000 0.749 21 A HN 0.624 nan 8.150 nan 0.000 0.591 22 M N -2.513 117.094 119.600 0.013 0.000 2.705 22 M HA -0.386 4.094 4.480 0.001 0.000 0.136 22 M C 1.360 177.461 176.300 -0.331 0.000 0.701 22 M CA 1.514 56.751 55.300 -0.106 0.000 0.456 22 M CB -1.609 31.018 32.600 0.046 0.000 1.700 22 M HN 1.385 nan 8.290 nan 0.000 0.404 23 G N -2.224 106.434 108.800 -0.237 0.000 2.179 23 G HA2 -0.266 3.695 3.960 0.001 0.000 0.220 23 G HA3 -0.266 3.695 3.960 0.001 0.000 0.220 23 G C 0.093 174.785 174.900 -0.346 0.000 0.990 23 G CA 0.174 45.090 45.100 -0.307 0.000 0.646 23 G HN 0.519 nan 8.290 nan 0.000 0.517 24 Y N -0.598 119.755 120.300 0.087 0.000 2.511 24 Y HA 0.346 4.897 4.550 0.001 0.000 0.279 24 Y C 1.368 177.363 175.900 0.158 0.000 1.157 24 Y CA -0.174 57.971 58.100 0.074 0.000 1.300 24 Y CB 0.331 38.843 38.460 0.086 0.000 1.052 24 Y HN 0.462 nan 8.280 nan 0.000 0.529 25 W N 2.055 123.407 121.300 0.086 0.000 2.411 25 W HA 0.410 5.070 4.660 0.001 0.000 0.317 25 W C -1.162 175.392 176.519 0.059 0.000 1.030 25 W CA -0.806 56.584 57.345 0.075 0.000 1.239 25 W CB 1.318 30.821 29.460 0.072 0.000 1.304 25 W HN -0.094 nan 8.180 nan 0.000 0.437 26 N N 8.297 126.575 118.700 -0.703 0.000 2.751 26 N HA 0.172 4.913 4.740 0.001 0.000 0.238 26 N C -1.955 173.186 175.510 -0.615 0.000 1.351 26 N CA -1.617 51.075 53.050 -0.596 0.000 0.751 26 N CB 1.405 39.766 38.487 -0.210 0.000 1.342 26 N HN 0.158 nan 8.380 nan 0.000 0.540 27 P HA 0.052 nan 4.420 nan 0.000 0.236 27 P C -0.410 176.795 177.300 -0.159 0.000 1.172 27 P CA 0.787 63.579 63.100 -0.513 0.000 0.759 27 P CB 0.496 31.957 31.700 -0.399 0.000 0.843 28 D N -2.209 118.108 120.400 -0.137 0.000 2.433 28 D HA 0.031 4.671 4.640 0.001 0.000 0.211 28 D C 0.351 176.619 176.300 -0.053 0.000 1.114 28 D CA -0.475 53.484 54.000 -0.068 0.000 0.837 28 D CB -0.424 40.337 40.800 -0.065 0.000 0.984 28 D HN 0.156 nan 8.370 nan 0.000 0.505 29 Y N 2.596 122.810 120.300 -0.143 0.000 2.610 29 Y HA 0.040 4.591 4.550 0.001 0.000 0.332 29 Y C 0.224 176.010 175.900 -0.189 0.000 1.201 29 Y CA 0.097 58.105 58.100 -0.153 0.000 1.465 29 Y CB 0.489 38.858 38.460 -0.152 0.000 1.283 29 Y HN -0.221 nan 8.280 nan 0.000 0.563 30 Q N 6.020 125.206 119.800 -1.023 0.000 2.390 30 Q HA 0.261 4.601 4.340 0.001 0.000 0.249 30 Q C -0.433 174.898 176.000 -1.115 0.000 0.996 30 Q CA -0.467 54.854 55.803 -0.802 0.000 0.899 30 Q CB 1.026 29.476 28.738 -0.481 0.000 1.216 30 Q HN 0.587 nan 8.270 nan 0.000 0.465 31 V N 3.249 122.728 119.914 -0.726 0.000 2.788 31 V HA -0.062 4.059 4.120 0.001 0.000 0.307 31 V C 0.626 176.565 176.094 -0.258 0.000 1.069 31 V CA 0.491 62.550 62.300 -0.403 0.000 1.173 31 V CB 0.210 31.859 31.823 -0.290 0.000 0.925 31 V HN 0.553 nan 8.190 nan 0.000 0.492 32 K N 2.826 123.163 120.400 -0.106 0.000 2.207 32 K HA 0.350 4.670 4.320 0.001 0.000 0.255 32 K C 0.178 176.758 176.600 -0.033 0.000 0.941 32 K CA -0.831 55.417 56.287 -0.064 0.000 0.825 32 K CB 1.422 33.916 32.500 -0.010 0.000 1.119 32 K HN 0.489 nan 8.250 nan 0.000 0.430 33 D N 0.845 121.224 120.400 -0.034 0.000 2.315 33 D HA -0.142 4.498 4.640 0.001 0.000 0.211 33 D C 1.439 177.733 176.300 -0.009 0.000 0.977 33 D CA 1.598 55.583 54.000 -0.025 0.000 0.894 33 D CB -0.033 40.755 40.800 -0.019 0.000 0.910 33 D HN 0.693 nan 8.370 nan 0.000 0.490 34 T N -2.686 111.873 114.554 0.010 0.000 3.086 34 T HA 0.035 4.385 4.350 0.001 0.000 0.250 34 T C 0.526 175.251 174.700 0.042 0.000 1.074 34 T CA -0.481 61.638 62.100 0.033 0.000 0.988 34 T CB 0.416 69.313 68.868 0.049 0.000 0.988 34 T HN -0.190 nan 8.240 nan 0.000 0.530 35 D N 1.575 121.999 120.400 0.041 0.000 2.339 35 D HA 0.347 4.988 4.640 0.001 0.000 0.245 35 D C -0.353 175.957 176.300 0.017 0.000 1.115 35 D CA -0.337 53.709 54.000 0.077 0.000 0.917 35 D CB 1.790 42.660 40.800 0.116 0.000 1.192 35 D HN 0.026 nan 8.370 nan 0.000 0.428 36 V N 2.597 122.550 119.914 0.065 0.000 2.407 36 V HA 0.279 4.400 4.120 0.001 0.000 0.278 36 V C 0.215 176.349 176.094 0.067 0.000 1.037 36 V CA -0.534 61.721 62.300 -0.075 0.000 0.900 36 V CB 0.976 32.616 31.823 -0.306 0.000 0.983 36 V HN 0.248 nan 8.190 nan 0.000 0.459 37 L N 4.696 125.843 121.223 -0.127 0.000 2.334 37 L HA 0.909 5.249 4.340 0.001 0.000 0.276 37 L C 0.045 176.857 176.870 -0.096 0.000 1.014 37 L CA -0.526 54.250 54.840 -0.107 0.000 0.815 37 L CB 1.854 43.571 42.059 -0.570 0.000 1.268 37 L HN 0.685 nan 8.230 nan 0.000 0.428 38 A N 3.618 126.560 122.820 0.203 0.000 2.435 38 A HA 0.758 5.078 4.320 0.001 0.000 0.304 38 A C -1.443 176.205 177.584 0.107 0.000 1.064 38 A CA -0.476 51.617 52.037 0.092 0.000 0.727 38 A CB 2.092 21.102 19.000 0.016 0.000 1.284 38 A HN 0.566 nan 8.150 nan 0.000 0.415 39 L N 2.648 123.761 121.223 -0.183 0.000 2.342 39 L HA 0.652 4.992 4.340 0.001 0.000 0.276 39 L C -1.966 174.624 176.870 -0.466 0.000 0.997 39 L CA -0.224 54.335 54.840 -0.468 0.000 0.838 39 L CB 0.491 41.968 42.059 -0.970 0.000 1.224 39 L HN 0.678 nan 8.230 nan 0.000 0.416 40 F N 4.022 123.879 119.950 -0.155 0.000 2.422 40 F HA 0.509 5.037 4.527 0.001 0.000 0.333 40 F C 0.770 176.576 175.800 0.009 0.000 1.095 40 F CA -0.523 57.435 58.000 -0.069 0.000 1.038 40 F CB 1.408 40.364 39.000 -0.073 0.000 1.156 40 F HN 0.385 nan 8.300 nan 0.000 0.483 41 R N 3.116 123.775 120.500 0.264 0.000 2.215 41 R HA 0.556 4.897 4.340 0.001 0.000 0.337 41 R C -1.759 174.606 176.300 0.108 0.000 1.010 41 R CA -0.284 55.932 56.100 0.194 0.000 0.871 41 R CB 0.554 30.976 30.300 0.204 0.000 1.134 41 R HN 0.541 nan 8.270 nan 0.000 0.477 42 V N 3.898 123.857 119.914 0.075 0.000 2.439 42 V HA 0.284 4.404 4.120 0.001 0.000 0.282 42 V C 0.094 176.232 176.094 0.074 0.000 1.039 42 V CA -0.368 61.953 62.300 0.035 0.000 0.913 42 V CB 1.861 33.681 31.823 -0.006 0.000 0.983 42 V HN 0.730 nan 8.190 nan 0.000 0.460 43 T N 7.178 121.765 114.554 0.056 0.000 3.155 43 T HA 0.319 4.670 4.350 0.001 0.000 0.384 43 T C -2.536 172.195 174.700 0.053 0.000 1.351 43 T CA -0.985 61.162 62.100 0.078 0.000 1.198 43 T CB 1.100 70.012 68.868 0.073 0.000 1.106 43 T HN 0.505 nan 8.240 nan 0.000 0.564 44 P HA 0.097 nan 4.420 nan 0.000 0.272 44 P C -0.193 177.116 177.300 0.015 0.000 1.223 44 P CA -0.515 62.584 63.100 -0.001 0.000 0.784 44 P CB 0.827 32.489 31.700 -0.062 0.000 0.923 45 Q N 1.912 121.715 119.800 0.006 0.000 2.392 45 Q HA 0.136 4.476 4.340 0.001 0.000 0.262 45 Q C -1.751 174.250 176.000 0.001 0.000 1.003 45 Q CA -1.158 54.647 55.803 0.003 0.000 0.888 45 Q CB -0.422 28.312 28.738 -0.008 0.000 1.260 45 Q HN 0.400 nan 8.270 nan 0.000 0.435 46 P HA -0.033 nan 4.420 nan 0.000 0.267 46 P C 0.466 177.763 177.300 -0.004 0.000 1.205 46 P CA 0.796 63.899 63.100 0.005 0.000 0.765 46 P CB 0.559 32.263 31.700 0.006 0.000 0.828 47 G N 1.556 110.352 108.800 -0.007 0.000 2.213 47 G HA2 -0.183 3.778 3.960 0.001 0.000 0.226 47 G HA3 -0.183 3.778 3.960 0.001 0.000 0.226 47 G C -0.177 174.710 174.900 -0.021 0.000 0.992 47 G CA -0.169 44.924 45.100 -0.012 0.000 0.632 47 G HN 0.536 nan 8.290 nan 0.000 0.511 48 V N 2.504 122.402 119.914 -0.027 0.000 2.370 48 V HA 0.404 4.525 4.120 0.001 0.000 0.279 48 V C 0.364 176.408 176.094 -0.082 0.000 1.029 48 V CA -0.903 61.373 62.300 -0.039 0.000 0.870 48 V CB 1.705 33.513 31.823 -0.025 0.000 0.984 48 V HN 0.390 nan 8.190 nan 0.000 0.451 49 D N 8.332 128.674 120.400 -0.095 0.000 2.487 49 D HA 0.025 4.665 4.640 0.001 0.000 0.243 49 D C -1.144 175.009 176.300 -0.246 0.000 1.154 49 D CA -1.106 52.799 54.000 -0.157 0.000 0.876 49 D CB 1.936 42.652 40.800 -0.141 0.000 1.161 49 D HN 0.269 nan 8.370 nan 0.000 0.478 50 P HA -0.194 nan 4.420 nan 0.000 0.216 50 P C 1.898 178.925 177.300 -0.456 0.000 1.154 50 P CA 1.031 63.783 63.100 -0.579 0.000 0.865 50 P CB 0.272 31.238 31.700 -1.223 0.000 0.789 51 I N -0.414 119.868 120.570 -0.480 0.000 2.286 51 I HA -0.220 3.951 4.170 0.001 0.000 0.248 51 I C 2.691 178.556 176.117 -0.421 0.000 1.115 51 I CA 1.452 62.379 61.300 -0.623 0.000 1.392 51 I CB -0.531 36.922 38.000 -0.912 0.000 1.065 51 I HN -0.009 nan 8.210 nan 0.000 0.418 52 E N 1.516 121.553 120.200 -0.271 0.000 2.047 52 E HA -0.179 4.172 4.350 0.001 0.000 0.191 52 E C 2.123 178.675 176.600 -0.080 0.000 0.987 52 E CA 1.732 58.069 56.400 -0.106 0.000 0.799 52 E CB -0.193 29.480 29.700 -0.045 0.000 0.752 52 E HN 0.388 nan 8.360 nan 0.000 0.449 53 A N 0.935 123.676 122.820 -0.131 0.000 1.902 53 A HA -0.065 4.256 4.320 0.001 0.000 0.217 53 A C 2.472 179.942 177.584 -0.191 0.000 1.181 53 A CA 2.301 54.259 52.037 -0.132 0.000 0.623 53 A CB -1.127 17.792 19.000 -0.135 0.000 0.818 53 A HN 0.387 nan 8.150 nan 0.000 0.443 54 A N -0.153 122.558 122.820 -0.180 0.000 1.908 54 A HA 0.122 4.442 4.320 0.001 0.000 0.218 54 A C 2.495 180.023 177.584 -0.092 0.000 1.181 54 A CA 2.218 54.182 52.037 -0.122 0.000 0.627 54 A CB -1.016 17.945 19.000 -0.065 0.000 0.818 54 A HN 1.116 nan 8.150 nan 0.000 0.445 55 A N -0.410 122.381 122.820 -0.048 0.000 1.969 55 A HA 0.226 4.547 4.320 0.001 0.000 0.218 55 A C 2.426 179.891 177.584 -0.197 0.000 1.169 55 A CA 1.834 53.904 52.037 0.054 0.000 0.635 55 A CB -0.806 18.314 19.000 0.200 0.000 0.810 55 A HN 1.012 nan 8.150 nan 0.000 0.445 56 A N -0.568 122.006 122.820 -0.410 0.000 1.930 56 A HA 0.059 4.379 4.320 0.001 0.000 0.217 56 A C 2.173 179.177 177.584 -0.967 0.000 1.175 56 A CA 1.623 53.043 52.037 -1.029 0.000 0.627 56 A CB -0.718 17.822 19.000 -0.766 0.000 0.815 56 A HN 0.347 nan 8.150 nan 0.000 0.443 57 V N -0.184 119.341 119.914 -0.649 0.000 2.358 57 V HA -0.197 3.923 4.120 0.001 0.000 0.246 57 V C 3.029 178.850 176.094 -0.456 0.000 1.047 57 V CA 1.776 63.697 62.300 -0.631 0.000 1.035 57 V CB -1.161 30.270 31.823 -0.652 0.000 0.658 57 V HN 0.595 nan 8.190 nan 0.000 0.452 58 A N 0.574 123.199 122.820 -0.325 0.000 1.877 58 A HA -0.072 4.248 4.320 0.001 0.000 0.216 58 A C 2.396 179.744 177.584 -0.394 0.000 1.186 58 A CA 2.028 53.928 52.037 -0.228 0.000 0.620 58 A CB -1.202 17.753 19.000 -0.075 0.000 0.822 58 A HN 0.507 nan 8.150 nan 0.000 0.443 59 G N -0.806 107.549 108.800 -0.741 0.000 2.404 59 G HA2 -0.141 3.820 3.960 0.001 0.000 0.214 59 G HA3 -0.141 3.820 3.960 0.001 0.000 0.214 59 G C 1.326 175.817 174.900 -0.681 0.000 1.189 59 G CA 0.794 45.086 45.100 -1.346 0.000 0.789 59 G HN 0.415 nan 8.290 nan 0.000 0.533 60 E N 0.972 120.805 120.200 -0.611 0.000 2.333 60 E HA -0.088 4.263 4.350 0.001 0.000 0.198 60 E C 2.475 178.941 176.600 -0.222 0.000 1.007 60 E CA 1.094 57.258 56.400 -0.394 0.000 0.845 60 E CB -0.072 29.265 29.700 -0.606 0.000 0.766 60 E HN 0.562 nan 8.360 nan 0.000 0.507 61 S N -1.117 114.474 115.700 -0.182 0.000 2.582 61 S HA 0.161 4.631 4.470 0.001 0.000 0.234 61 S C 1.241 175.929 174.600 0.147 0.000 0.961 61 S CA 0.344 58.559 58.200 0.026 0.000 0.953 61 S CB 0.279 63.560 63.200 0.135 0.000 0.800 61 S HN 0.136 nan 8.310 nan 0.000 0.471 62 S N 1.058 116.771 115.700 0.022 0.000 4.567 62 S HA 0.195 4.665 4.470 0.001 0.000 0.167 62 S C 1.216 175.826 174.600 0.017 0.000 1.007 62 S CA 0.581 58.818 58.200 0.062 0.000 1.212 62 S CB -0.102 63.144 63.200 0.076 0.000 1.741 62 S HN 0.647 nan 8.310 nan 0.000 0.689 63 T N -0.555 114.025 114.554 0.043 0.000 3.130 63 T HA 0.680 5.030 4.350 0.001 0.000 0.288 63 T C 0.451 175.221 174.700 0.116 0.000 0.936 63 T CA 0.388 62.541 62.100 0.089 0.000 0.897 63 T CB 0.260 69.231 68.868 0.170 0.000 1.178 63 T HN 0.761 nan 8.240 nan 0.000 0.543 64 A N 0.959 123.799 122.820 0.033 0.000 2.259 64 A HA 0.824 5.145 4.320 0.001 0.000 0.278 64 A C 0.306 177.956 177.584 0.111 0.000 1.107 64 A CA -0.286 51.807 52.037 0.093 0.000 0.828 64 A CB 0.887 19.823 19.000 -0.107 0.000 1.111 64 A HN 0.439 nan 8.150 nan 0.000 0.498 65 T N -1.816 112.844 114.554 0.177 0.000 2.739 65 T HA 0.416 4.767 4.350 0.001 0.000 0.303 65 T C 0.316 175.141 174.700 0.208 0.000 1.389 65 T CA 0.072 62.294 62.100 0.203 0.000 1.001 65 T CB 0.483 69.393 68.868 0.069 0.000 1.436 65 T HN 0.983 nan 8.240 nan 0.000 0.500 66 W N 1.304 122.701 121.300 0.163 0.000 2.465 66 W HA 0.222 4.882 4.660 0.000 0.000 0.268 66 W C 0.362 176.858 176.519 -0.038 0.000 1.242 66 W CA 0.841 58.237 57.345 0.084 0.000 1.248 66 W CB -1.199 28.330 29.460 0.115 0.000 1.118 66 W HN 0.588 nan 8.180 nan 0.000 0.587 67 T N 0.629 114.675 114.554 -0.847 0.000 2.906 67 T HA 0.457 4.807 4.350 0.001 0.000 0.295 67 T C -0.522 173.914 174.700 -0.439 0.000 1.075 67 T CA -0.529 61.105 62.100 -0.777 0.000 1.005 67 T CB 2.152 70.188 68.868 -1.386 0.000 1.136 67 T HN -0.224 nan 8.240 nan 0.000 0.498 68 V N 3.732 123.480 119.914 -0.277 0.000 2.637 68 V HA 0.411 4.531 4.120 0.001 0.000 0.296 68 V C 0.268 176.316 176.094 -0.076 0.000 1.046 68 V CA -0.150 62.069 62.300 -0.135 0.000 1.066 68 V CB 0.888 32.651 31.823 -0.099 0.000 0.968 68 V HN 0.717 nan 8.190 nan 0.000 0.483 69 V N 3.445 123.359 119.914 -0.001 0.000 2.483 69 V HA 0.405 4.526 4.120 0.001 0.000 0.297 69 V C 0.609 176.743 176.094 0.067 0.000 1.027 69 V CA -0.895 61.385 62.300 -0.032 0.000 0.855 69 V CB 1.555 33.286 31.823 -0.153 0.000 0.995 69 V HN 1.021 nan 8.190 nan 0.000 0.424 70 W N 3.148 124.497 121.300 0.081 0.000 2.611 70 W HA -0.085 4.575 4.660 0.000 0.000 0.251 70 W C 1.250 177.724 176.519 -0.075 0.000 1.265 70 W CA 1.136 58.498 57.345 0.029 0.000 1.295 70 W CB -1.492 27.971 29.460 0.006 0.000 1.129 70 W HN 0.763 nan 8.180 nan 0.000 0.630 71 T N -1.194 112.877 114.554 -0.805 0.000 2.977 71 T HA -0.223 4.128 4.350 0.001 0.000 0.271 71 T C 1.101 175.628 174.700 -0.289 0.000 1.105 71 T CA 1.590 63.235 62.100 -0.759 0.000 1.116 71 T CB -0.554 67.875 68.868 -0.732 0.000 0.878 71 T HN -0.089 nan 8.240 nan 0.000 0.509 72 D N 1.287 121.587 120.400 -0.165 0.000 2.158 72 D HA -0.047 4.594 4.640 0.001 0.000 0.197 72 D C 1.742 177.950 176.300 -0.154 0.000 0.995 72 D CA 0.497 54.461 54.000 -0.061 0.000 0.846 72 D CB -0.341 40.545 40.800 0.143 0.000 0.941 72 D HN 0.236 nan 8.370 nan 0.000 0.456 73 L N 0.120 121.166 121.223 -0.295 0.000 2.450 73 L HA -0.060 4.280 4.340 0.001 0.000 0.224 73 L C 1.870 178.692 176.870 -0.081 0.000 1.149 73 L CA 0.939 55.622 54.840 -0.261 0.000 0.816 73 L CB -0.768 41.142 42.059 -0.248 0.000 0.932 73 L HN 0.166 nan 8.230 nan 0.000 0.449 74 L N -1.412 119.783 121.223 -0.046 0.000 2.592 74 L HA 0.073 4.414 4.340 0.001 0.000 0.227 74 L C 0.862 177.738 176.870 0.010 0.000 1.127 74 L CA 0.081 54.919 54.840 -0.004 0.000 0.884 74 L CB -0.441 41.611 42.059 -0.011 0.000 1.065 74 L HN 0.334 nan 8.230 nan 0.000 0.457 75 T N -4.357 110.209 114.554 0.019 0.000 2.864 75 T HA 0.620 4.971 4.350 0.001 0.000 0.289 75 T C -0.002 174.710 174.700 0.021 0.000 1.082 75 T CA -0.462 61.701 62.100 0.106 0.000 1.009 75 T CB 2.202 71.219 68.868 0.248 0.000 1.234 75 T HN -0.079 nan 8.240 nan 0.000 0.526 76 A N 0.623 123.397 122.820 -0.076 0.000 3.077 76 A HA 0.645 4.965 4.320 0.001 0.000 0.255 76 A C 1.854 179.156 177.584 -0.470 0.000 1.728 76 A CA 0.086 51.917 52.037 -0.343 0.000 1.383 76 A CB -1.530 17.158 19.000 -0.520 0.000 1.097 76 A HN 1.280 nan 8.150 nan 0.000 0.634 77 A N 0.720 123.460 122.820 -0.134 0.000 1.927 77 A HA -0.257 4.064 4.320 0.001 0.000 0.220 77 A C 1.669 179.201 177.584 -0.086 0.000 1.185 77 A CA 2.264 54.291 52.037 -0.017 0.000 0.639 77 A CB -0.542 18.493 19.000 0.057 0.000 0.820 77 A HN 0.593 nan 8.150 nan 0.000 0.451 78 D N -0.933 119.397 120.400 -0.117 0.000 2.221 78 D HA -0.117 4.523 4.640 0.001 0.000 0.204 78 D C 1.705 177.923 176.300 -0.137 0.000 0.982 78 D CA 0.874 54.808 54.000 -0.110 0.000 0.857 78 D CB -0.015 40.734 40.800 -0.085 0.000 0.934 78 D HN 0.378 nan 8.370 nan 0.000 0.475 79 L N -0.638 120.441 121.223 -0.239 0.000 2.249 79 L HA -0.071 4.269 4.340 0.001 0.000 0.207 79 L C 1.240 178.035 176.870 -0.125 0.000 1.090 79 L CA 0.900 55.603 54.840 -0.227 0.000 0.802 79 L CB -0.122 41.725 42.059 -0.353 0.000 0.947 79 L HN 0.114 nan 8.230 nan 0.000 0.453 80 Y N 0.585 120.868 120.300 -0.028 0.000 2.286 80 Y HA 0.053 4.603 4.550 0.001 0.000 0.293 80 Y C 1.188 177.082 175.900 -0.009 0.000 1.124 80 Y CA -0.276 57.807 58.100 -0.027 0.000 1.178 80 Y CB -0.652 37.795 38.460 -0.023 0.000 1.010 80 Y HN 0.023 nan 8.280 nan 0.000 0.536 81 R N 1.271 121.860 120.500 0.147 0.000 2.502 81 R HA 0.268 4.609 4.340 0.001 0.000 0.292 81 R C 0.306 176.639 176.300 0.056 0.000 0.998 81 R CA 0.130 56.334 56.100 0.173 0.000 1.056 81 R CB 0.183 30.437 30.300 -0.076 0.000 0.939 81 R HN 0.136 nan 8.270 nan 0.000 0.411 82 A N 4.229 127.088 122.820 0.065 0.000 2.332 82 A HA 0.275 4.595 4.320 0.001 0.000 0.258 82 A C -0.229 177.283 177.584 -0.120 0.000 1.087 82 A CA -0.436 51.471 52.037 -0.218 0.000 0.802 82 A CB 0.516 19.131 19.000 -0.642 0.000 1.042 82 A HN 0.670 nan 8.150 nan 0.000 0.489 83 K N 0.949 121.202 120.400 -0.245 0.000 2.471 83 K HA 0.638 4.958 4.320 0.001 0.000 0.252 83 K C -0.885 175.754 176.600 0.064 0.000 0.938 83 K CA -0.380 55.839 56.287 -0.112 0.000 0.796 83 K CB 1.873 34.193 32.500 -0.300 0.000 1.161 83 K HN 0.684 nan 8.250 nan 0.000 0.425 84 A N 3.108 126.029 122.820 0.169 0.000 2.354 84 A HA 0.354 4.674 4.320 0.001 0.000 0.281 84 A C -0.051 177.645 177.584 0.187 0.000 1.174 84 A CA -0.459 51.734 52.037 0.260 0.000 0.828 84 A CB -0.425 18.820 19.000 0.408 0.000 1.099 84 A HN 0.848 nan 8.150 nan 0.000 0.516 85 Y N 0.710 121.070 120.300 0.101 0.000 2.445 85 Y HA 0.525 5.076 4.550 0.001 0.000 0.247 85 Y C 0.342 176.245 175.900 0.005 0.000 1.129 85 Y CA -0.361 57.687 58.100 -0.085 0.000 1.251 85 Y CB 0.219 38.713 38.460 0.057 0.000 1.176 85 Y HN 0.470 nan 8.280 nan 0.000 0.522 86 K N 1.112 121.469 120.400 -0.071 0.000 2.589 86 K HA 0.590 4.910 4.320 0.001 0.000 0.253 86 K C -2.312 174.479 176.600 0.319 0.000 0.974 86 K CA -0.609 55.741 56.287 0.105 0.000 0.835 86 K CB 2.312 34.697 32.500 -0.192 0.000 1.272 86 K HN -0.051 nan 8.250 nan 0.000 0.444 87 V N 3.951 124.100 119.914 0.390 0.000 2.409 87 V HA 0.399 4.520 4.120 0.001 0.000 0.290 87 V C -1.166 175.124 176.094 0.327 0.000 1.017 87 V CA -0.812 61.687 62.300 0.331 0.000 0.841 87 V CB 1.678 33.601 31.823 0.166 0.000 1.003 87 V HN 0.746 nan 8.190 nan 0.000 0.426 88 D N 2.972 123.604 120.400 0.386 0.000 2.498 88 D HA 0.311 4.952 4.640 0.001 0.000 0.247 88 D C -0.269 176.200 176.300 0.283 0.000 1.070 88 D CA -0.414 53.795 54.000 0.348 0.000 0.842 88 D CB 2.346 43.375 40.800 0.383 0.000 1.361 88 D HN 0.528 nan 8.370 nan 0.000 0.484 89 Q N 0.788 120.665 119.800 0.128 0.000 2.392 89 Q HA 0.181 4.521 4.340 0.001 0.000 0.262 89 Q C -0.550 175.315 176.000 -0.225 0.000 1.003 89 Q CA -0.335 55.288 55.803 -0.300 0.000 0.888 89 Q CB 0.922 29.445 28.738 -0.359 0.000 1.260 89 Q HN 0.226 nan 8.270 nan 0.000 0.435 90 V N 6.779 126.413 119.914 -0.466 0.000 2.508 90 V HA 0.002 4.122 4.120 0.001 0.000 0.281 90 V C -1.504 174.432 176.094 -0.264 0.000 1.041 90 V CA -0.994 61.047 62.300 -0.432 0.000 1.016 90 V CB 0.726 32.162 31.823 -0.645 0.000 0.984 90 V HN 0.906 nan 8.190 nan 0.000 0.478 91 P HA -0.247 nan 4.420 nan 0.000 0.218 91 P C 0.424 177.614 177.300 -0.184 0.000 1.018 91 P CA 1.996 64.943 63.100 -0.254 0.000 1.016 91 P CB 0.018 31.426 31.700 -0.488 0.000 0.748 92 N N -1.854 116.740 118.700 -0.177 0.000 2.458 92 N HA 0.156 4.897 4.740 0.001 0.000 0.274 92 N C -0.554 174.882 175.510 -0.123 0.000 1.242 92 N CA -0.088 52.886 53.050 -0.126 0.000 0.904 92 N CB -0.237 38.191 38.487 -0.098 0.000 1.206 92 N HN 0.047 nan 8.380 nan 0.000 0.510 93 N N 0.301 118.902 118.700 -0.166 0.000 2.629 93 N HA 0.170 4.911 4.740 0.001 0.000 0.277 93 N C -2.387 172.979 175.510 -0.239 0.000 1.188 93 N CA -1.548 51.401 53.050 -0.167 0.000 0.835 93 N CB 1.858 40.249 38.487 -0.160 0.000 1.420 93 N HN -0.067 nan 8.380 nan 0.000 0.542 94 P HA -0.011 nan 4.420 nan 0.000 0.230 94 P C 0.314 177.486 177.300 -0.213 0.000 1.158 94 P CA 0.894 63.858 63.100 -0.228 0.000 0.769 94 P CB 0.644 32.281 31.700 -0.104 0.000 0.807 95 E N -0.580 119.539 120.200 -0.135 0.000 2.442 95 E HA 0.012 4.363 4.350 0.001 0.000 0.195 95 E C 0.673 177.266 176.600 -0.012 0.000 1.030 95 E CA 0.265 56.656 56.400 -0.016 0.000 0.869 95 E CB 0.167 29.864 29.700 -0.004 0.000 0.857 95 E HN 0.516 nan 8.360 nan 0.000 0.505 96 Q N -0.188 119.476 119.800 -0.227 0.000 2.301 96 Q HA 0.494 4.835 4.340 0.001 0.000 0.267 96 Q C -1.269 174.414 176.000 -0.528 0.000 1.035 96 Q CA -0.632 55.041 55.803 -0.217 0.000 0.856 96 Q CB 1.754 30.339 28.738 -0.255 0.000 1.337 96 Q HN -0.000 nan 8.270 nan 0.000 0.450 97 Y N -0.068 120.091 120.300 -0.236 0.000 2.513 97 Y HA 0.414 4.965 4.550 0.001 0.000 0.340 97 Y C -1.119 174.672 175.900 -0.182 0.000 1.055 97 Y CA -0.956 57.029 58.100 -0.192 0.000 1.020 97 Y CB 1.283 39.703 38.460 -0.067 0.000 1.301 97 Y HN 0.498 nan 8.280 nan 0.000 0.453 98 F N 2.104 122.170 119.950 0.194 0.000 2.405 98 F HA 0.686 5.213 4.527 0.001 0.000 0.355 98 F C 0.318 176.185 175.800 0.111 0.000 1.121 98 F CA -1.076 56.966 58.000 0.071 0.000 1.112 98 F CB 1.014 40.054 39.000 0.068 0.000 1.126 98 F HN 0.512 nan 8.300 nan 0.000 0.481 99 A N 4.355 127.311 122.820 0.227 0.000 2.303 99 A HA 0.680 5.000 4.320 0.001 0.000 0.320 99 A C -1.686 175.950 177.584 0.086 0.000 1.192 99 A CA -0.525 51.638 52.037 0.210 0.000 0.821 99 A CB 0.239 19.344 19.000 0.174 0.000 1.188 99 A HN 0.569 nan 8.150 nan 0.000 0.492 100 Y N 2.006 122.263 120.300 -0.071 0.000 2.326 100 Y HA 0.573 5.123 4.550 0.001 0.000 0.337 100 Y C 0.186 175.952 175.900 -0.223 0.000 1.023 100 Y CA -0.333 57.638 58.100 -0.214 0.000 1.143 100 Y CB 1.134 39.201 38.460 -0.656 0.000 1.183 100 Y HN 0.476 nan 8.280 nan 0.000 0.485 101 I N 2.913 123.664 120.570 0.302 0.000 2.545 101 I HA 0.701 4.871 4.170 0.001 0.000 0.292 101 I C -0.512 175.866 176.117 0.436 0.000 1.040 101 I CA -1.127 60.369 61.300 0.327 0.000 1.068 101 I CB 1.959 40.111 38.000 0.253 0.000 1.251 101 I HN 0.628 nan 8.210 nan 0.000 0.424 102 A N 5.650 128.623 122.820 0.256 0.000 2.317 102 A HA 0.818 5.139 4.320 0.001 0.000 0.327 102 A C -1.614 175.911 177.584 -0.099 0.000 1.178 102 A CA -0.296 51.846 52.037 0.175 0.000 0.817 102 A CB 0.633 19.698 19.000 0.108 0.000 1.189 102 A HN 0.569 nan 8.150 nan 0.000 0.489 103 Y N 0.472 120.855 120.300 0.138 0.000 2.391 103 Y HA 0.465 5.015 4.550 0.001 0.000 0.341 103 Y C 0.314 176.319 175.900 0.174 0.000 0.965 103 Y CA -0.972 57.229 58.100 0.168 0.000 1.067 103 Y CB 1.624 40.299 38.460 0.357 0.000 1.199 103 Y HN 0.840 nan 8.280 nan 0.000 0.450 104 E N 2.791 123.125 120.200 0.222 0.000 2.413 104 E HA 0.007 4.358 4.350 0.001 0.000 0.263 104 E C 0.709 177.432 176.600 0.205 0.000 1.015 104 E CA 0.152 56.659 56.400 0.178 0.000 0.916 104 E CB 0.692 30.478 29.700 0.143 0.000 0.947 104 E HN 0.841 nan 8.360 nan 0.000 0.440 105 L N 3.391 124.724 121.223 0.183 0.000 2.043 105 L HA -0.227 4.114 4.340 0.001 0.000 0.212 105 L C 0.775 177.740 176.870 0.159 0.000 1.075 105 L CA 1.998 56.948 54.840 0.183 0.000 0.752 105 L CB -0.246 41.887 42.059 0.123 0.000 0.891 105 L HN 0.659 nan 8.230 nan 0.000 0.432 106 D N -0.190 120.273 120.400 0.105 0.000 2.351 106 D HA -0.151 4.489 4.640 0.001 0.000 0.216 106 D C 2.199 178.447 176.300 -0.086 0.000 0.968 106 D CA 0.691 54.727 54.000 0.060 0.000 0.899 106 D CB -0.042 40.839 40.800 0.134 0.000 0.907 106 D HN 0.396 nan 8.370 nan 0.000 0.514 107 L N -0.657 120.418 121.223 -0.248 0.000 2.291 107 L HA -0.030 4.310 4.340 0.001 0.000 0.214 107 L C 0.339 176.775 176.870 -0.723 0.000 1.120 107 L CA 0.465 54.950 54.840 -0.591 0.000 0.799 107 L CB -0.093 41.444 42.059 -0.869 0.000 0.925 107 L HN -0.099 nan 8.230 nan 0.000 0.446 108 F N -0.593 119.312 119.950 -0.074 0.000 2.458 108 F HA 0.306 4.833 4.527 0.001 0.000 0.330 108 F C 0.607 176.429 175.800 0.037 0.000 1.082 108 F CA -1.216 56.752 58.000 -0.052 0.000 0.995 108 F CB 0.815 39.704 39.000 -0.185 0.000 1.170 108 F HN -0.195 nan 8.300 nan 0.000 0.478 109 E N 1.428 121.775 120.200 0.245 0.000 2.289 109 E HA 0.169 4.519 4.350 0.001 0.000 0.278 109 E C -0.910 175.821 176.600 0.218 0.000 1.032 109 E CA -0.612 55.881 56.400 0.155 0.000 0.854 109 E CB 0.585 30.331 29.700 0.077 0.000 1.046 109 E HN 0.514 nan 8.360 nan 0.000 0.409 110 E N 2.581 122.863 120.200 0.137 0.000 2.414 110 E HA 0.203 4.553 4.350 0.001 0.000 0.263 110 E C 0.870 177.309 176.600 -0.268 0.000 1.000 110 E CA 1.172 57.599 56.400 0.044 0.000 0.914 110 E CB 0.589 30.296 29.700 0.011 0.000 0.948 110 E HN 0.806 nan 8.360 nan 0.000 0.444 111 G N 2.400 110.708 108.800 -0.821 0.000 2.203 111 G HA2 -0.331 3.630 3.960 0.001 0.000 0.263 111 G HA3 -0.331 3.630 3.960 0.001 0.000 0.263 111 G C 0.200 174.547 174.900 -0.922 0.000 1.012 111 G CA 0.631 44.790 45.100 -1.568 0.000 0.749 111 G HN 0.508 nan 8.290 nan 0.000 0.512 112 S N -0.254 115.227 115.700 -0.364 0.000 2.594 112 S HA 0.603 5.073 4.470 0.001 0.000 0.322 112 S C 1.553 176.207 174.600 0.090 0.000 1.085 112 S CA -0.886 57.280 58.200 -0.056 0.000 1.116 112 S CB 0.327 63.519 63.200 -0.012 0.000 0.979 112 S HN 0.164 nan 8.310 nan 0.000 0.465 113 I N 4.213 124.807 120.570 0.040 0.000 2.394 113 I HA -0.061 4.110 4.170 0.001 0.000 0.251 113 I C 2.589 178.540 176.117 -0.278 0.000 1.136 113 I CA 1.349 62.518 61.300 -0.217 0.000 1.425 113 I CB -1.678 36.108 38.000 -0.356 0.000 1.079 113 I HN 0.758 nan 8.210 nan 0.000 0.425 114 A N 0.802 123.575 122.820 -0.078 0.000 1.902 114 A HA -0.233 4.087 4.320 0.001 0.000 0.217 114 A C 2.223 179.792 177.584 -0.024 0.000 1.181 114 A CA 1.857 53.889 52.037 -0.008 0.000 0.623 114 A CB -0.866 18.158 19.000 0.039 0.000 0.818 114 A HN 0.516 nan 8.150 nan 0.000 0.443 115 N N -0.280 118.425 118.700 0.008 0.000 2.216 115 N HA -0.131 4.610 4.740 0.001 0.000 0.183 115 N C 1.793 177.359 175.510 0.093 0.000 1.017 115 N CA 1.492 54.576 53.050 0.056 0.000 0.861 115 N CB -0.153 38.393 38.487 0.098 0.000 0.986 115 N HN 0.363 nan 8.380 nan 0.000 0.428 116 L N 1.540 122.788 121.223 0.043 0.000 2.017 116 L HA -0.123 4.218 4.340 0.001 0.000 0.208 116 L C 2.563 179.347 176.870 -0.144 0.000 1.073 116 L CA 2.315 57.135 54.840 -0.033 0.000 0.745 116 L CB -1.282 40.643 42.059 -0.224 0.000 0.894 116 L HN 0.292 nan 8.230 nan 0.000 0.432 117 T N -2.920 111.440 114.554 -0.323 0.000 2.867 117 T HA -0.048 4.302 4.350 0.001 0.000 0.268 117 T C 1.930 176.596 174.700 -0.056 0.000 1.057 117 T CA 0.866 62.792 62.100 -0.291 0.000 1.136 117 T CB -0.922 67.695 68.868 -0.418 0.000 0.874 117 T HN 0.379 nan 8.240 nan 0.000 0.466 118 A N 1.610 124.416 122.820 -0.022 0.000 1.908 118 A HA -0.061 4.259 4.320 0.001 0.000 0.218 118 A C 2.673 180.286 177.584 0.049 0.000 1.181 118 A CA 2.099 54.149 52.037 0.022 0.000 0.627 118 A CB -1.049 17.963 19.000 0.020 0.000 0.818 118 A HN 0.538 nan 8.150 nan 0.000 0.445 119 S N -0.407 115.331 115.700 0.064 0.000 2.336 119 S HA -0.010 4.461 4.470 0.001 0.000 0.216 119 S C 1.854 176.524 174.600 0.117 0.000 1.032 119 S CA 1.064 59.314 58.200 0.084 0.000 0.973 119 S CB -0.319 62.945 63.200 0.106 0.000 0.888 119 S HN 0.453 nan 8.310 nan 0.000 0.455 120 I N 2.301 122.932 120.570 0.102 0.000 2.208 120 I HA -0.125 4.045 4.170 0.001 0.000 0.245 120 I C 1.937 178.284 176.117 0.382 0.000 1.097 120 I CA 1.614 63.025 61.300 0.185 0.000 1.363 120 I CB -1.175 36.892 38.000 0.111 0.000 1.051 120 I HN 0.417 nan 8.210 nan 0.000 0.413 121 I N -2.967 117.784 120.570 0.301 0.000 3.936 121 I HA 0.429 4.599 4.170 0.001 0.000 0.330 121 I C 1.836 178.106 176.117 0.254 0.000 1.509 121 I CA 0.055 61.592 61.300 0.395 0.000 1.126 121 I CB -0.029 38.084 38.000 0.189 0.000 1.115 121 I HN -0.049 nan 8.210 nan 0.000 0.424 122 G N 2.447 111.352 108.800 0.175 0.000 2.587 122 G HA2 -0.228 3.733 3.960 0.001 0.000 0.217 122 G HA3 -0.228 3.733 3.960 0.001 0.000 0.217 122 G C 1.240 176.222 174.900 0.137 0.000 1.240 122 G CA 1.459 46.631 45.100 0.119 0.000 0.794 122 G HN 0.474 nan 8.290 nan 0.000 0.580 123 N N -0.447 118.332 118.700 0.132 0.000 2.419 123 N HA -0.014 4.727 4.740 0.001 0.000 0.216 123 N C 2.357 177.945 175.510 0.131 0.000 1.118 123 N CA 0.918 54.047 53.050 0.132 0.000 0.850 123 N CB 0.255 38.801 38.487 0.099 0.000 1.292 123 N HN 0.271 nan 8.380 nan 0.000 0.467 124 V N -0.440 119.481 119.914 0.012 0.000 2.511 124 V HA -0.211 3.909 4.120 0.001 0.000 0.257 124 V C 1.607 177.604 176.094 -0.160 0.000 1.088 124 V CA 1.568 63.744 62.300 -0.206 0.000 1.098 124 V CB -1.341 30.216 31.823 -0.443 0.000 0.674 124 V HN 0.010 nan 8.190 nan 0.000 0.470 125 F N 1.932 121.903 119.950 0.035 0.000 2.748 125 F HA 0.404 4.931 4.527 0.001 0.000 0.299 125 F C 2.175 178.090 175.800 0.191 0.000 1.154 125 F CA 0.906 58.984 58.000 0.129 0.000 1.446 125 F CB -0.259 38.831 39.000 0.150 0.000 1.112 125 F HN 0.352 nan 8.300 nan 0.000 0.584 126 G N -1.606 107.364 108.800 0.284 0.000 3.519 126 G HA2 0.049 4.010 3.960 0.001 0.000 0.269 126 G HA3 0.049 4.010 3.960 0.001 0.000 0.269 126 G C -0.215 174.801 174.900 0.193 0.000 1.028 126 G CA -0.136 45.091 45.100 0.211 0.000 0.809 126 G HN 0.052 nan 8.290 nan 0.000 0.521 127 F N 2.081 122.030 119.950 -0.002 0.000 2.506 127 F HA 0.295 4.823 4.527 0.001 0.000 0.371 127 F C 1.688 177.471 175.800 -0.028 0.000 1.078 127 F CA -0.456 57.522 58.000 -0.037 0.000 1.195 127 F CB 1.024 39.963 39.000 -0.102 0.000 1.099 127 F HN -0.039 nan 8.300 nan 0.000 0.548 128 K N 3.627 123.870 120.400 -0.261 0.000 2.044 128 K HA -0.243 4.078 4.320 0.001 0.000 0.210 128 K C 2.134 178.656 176.600 -0.131 0.000 1.049 128 K CA 1.658 57.832 56.287 -0.188 0.000 0.927 128 K CB -0.261 32.093 32.500 -0.243 0.000 0.713 128 K HN 0.763 nan 8.250 nan 0.000 0.443 129 A N 0.964 123.662 122.820 -0.202 0.000 1.986 129 A HA -0.095 4.225 4.320 0.001 0.000 0.220 129 A C 1.068 178.684 177.584 0.053 0.000 1.171 129 A CA 1.071 53.090 52.037 -0.029 0.000 0.640 129 A CB -0.110 18.933 19.000 0.072 0.000 0.811 129 A HN 0.083 nan 8.150 nan 0.000 0.451 130 V N 0.825 120.804 119.914 0.109 0.000 2.318 130 V HA 0.114 4.235 4.120 0.001 0.000 0.271 130 V C 1.279 177.407 176.094 0.057 0.000 1.030 130 V CA -0.215 62.122 62.300 0.062 0.000 0.844 130 V CB 1.005 32.842 31.823 0.023 0.000 1.015 130 V HN 0.591 nan 8.190 nan 0.000 0.460 131 K N 3.873 124.298 120.400 0.042 0.000 2.020 131 K HA -0.069 4.252 4.320 0.001 0.000 0.212 131 K C 0.715 177.362 176.600 0.078 0.000 1.050 131 K CA 1.757 58.070 56.287 0.043 0.000 0.929 131 K CB 0.121 32.642 32.500 0.035 0.000 0.714 131 K HN 0.787 nan 8.250 nan 0.000 0.443 132 A N 0.035 122.930 122.820 0.124 0.000 2.556 132 A HA 0.666 4.986 4.320 0.001 0.000 0.294 132 A C -1.834 175.886 177.584 0.226 0.000 1.091 132 A CA -0.772 51.427 52.037 0.271 0.000 0.704 132 A CB 1.819 20.949 19.000 0.216 0.000 1.300 132 A HN 0.170 nan 8.150 nan 0.000 0.406 133 L N 0.496 121.895 121.223 0.293 0.000 2.592 133 L HA 0.725 5.065 4.340 0.001 0.000 0.258 133 L C -0.885 175.963 176.870 -0.037 0.000 0.926 133 L CA -0.084 54.723 54.840 -0.054 0.000 0.885 133 L CB 1.905 43.716 42.059 -0.414 0.000 1.380 133 L HN 0.865 nan 8.230 nan 0.000 0.415 134 R N 4.211 124.806 120.500 0.158 0.000 2.533 134 R HA 0.565 4.905 4.340 0.001 0.000 0.288 134 R C -1.866 174.629 176.300 0.324 0.000 1.039 134 R CA -0.887 55.390 56.100 0.294 0.000 0.909 134 R CB 1.726 32.144 30.300 0.198 0.000 1.195 134 R HN 0.690 nan 8.270 nan 0.000 0.438 135 L N 4.870 126.296 121.223 0.338 0.000 2.342 135 L HA 0.209 4.549 4.340 0.001 0.000 0.285 135 L C 0.796 177.605 176.870 -0.102 0.000 1.095 135 L CA 0.572 55.385 54.840 -0.045 0.000 0.843 135 L CB 0.946 42.976 42.059 -0.048 0.000 1.201 135 L HN 0.716 nan 8.230 nan 0.000 0.445 136 E N 2.221 122.311 120.200 -0.183 0.000 2.102 136 E HA 0.057 4.408 4.350 0.001 0.000 0.190 136 E C -0.112 176.394 176.600 -0.158 0.000 0.971 136 E CA 0.586 56.898 56.400 -0.147 0.000 0.821 136 E CB 0.361 29.897 29.700 -0.273 0.000 0.777 136 E HN 0.705 nan 8.360 nan 0.000 0.460 137 D N -1.442 118.810 120.400 -0.247 0.000 2.639 137 D HA 0.380 5.021 4.640 0.001 0.000 0.271 137 D C -1.277 175.008 176.300 -0.024 0.000 1.254 137 D CA -0.440 53.501 54.000 -0.098 0.000 0.810 137 D CB 1.518 42.333 40.800 0.025 0.000 1.351 137 D HN -0.216 nan 8.370 nan 0.000 0.427 138 M N 1.181 120.810 119.600 0.049 0.000 2.433 138 M HA 0.342 4.822 4.480 0.001 0.000 0.290 138 M C -0.961 175.267 176.300 -0.119 0.000 1.173 138 M CA -0.824 54.457 55.300 -0.033 0.000 0.905 138 M CB 2.764 35.282 32.600 -0.135 0.000 1.692 138 M HN 0.152 nan 8.290 nan 0.000 0.462 139 R N 3.519 123.741 120.500 -0.464 0.000 2.275 139 R HA 0.550 4.891 4.340 0.001 0.000 0.326 139 R C -1.843 174.239 176.300 -0.363 0.000 0.973 139 R CA -0.371 55.407 56.100 -0.536 0.000 0.854 139 R CB 0.114 29.794 30.300 -1.034 0.000 1.156 139 R HN 0.737 nan 8.270 nan 0.000 0.487 140 L N 7.211 128.252 121.223 -0.303 0.000 2.260 140 L HA 0.394 4.734 4.340 0.001 0.000 0.289 140 L C -1.654 175.117 176.870 -0.165 0.000 1.057 140 L CA -1.856 52.857 54.840 -0.212 0.000 0.811 140 L CB 1.375 43.295 42.059 -0.231 0.000 1.184 140 L HN 0.328 nan 8.230 nan 0.000 0.429 141 P HA -0.067 nan 4.420 nan 0.000 0.267 141 P C 0.692 177.999 177.300 0.012 0.000 1.200 141 P CA -0.437 62.644 63.100 -0.033 0.000 0.772 141 P CB 1.320 33.022 31.700 0.003 0.000 0.855 142 L N 3.793 125.014 121.223 -0.003 0.000 2.043 142 L HA -0.208 4.133 4.340 0.001 0.000 0.212 142 L C 2.604 179.515 176.870 0.068 0.000 1.075 142 L CA 2.567 57.417 54.840 0.018 0.000 0.752 142 L CB -1.750 40.317 42.059 0.015 0.000 0.891 142 L HN 0.522 nan 8.230 nan 0.000 0.432 143 A N -2.485 120.387 122.820 0.087 0.000 2.121 143 A HA -0.241 4.080 4.320 0.001 0.000 0.218 143 A C 2.137 179.842 177.584 0.202 0.000 1.154 143 A CA 1.409 53.517 52.037 0.118 0.000 0.679 143 A CB -0.792 18.269 19.000 0.103 0.000 0.795 143 A HN 0.567 nan 8.150 nan 0.000 0.458 144 Y N -0.569 119.765 120.300 0.056 0.000 2.347 144 Y HA 0.092 4.642 4.550 0.001 0.000 0.294 144 Y C 1.741 177.764 175.900 0.205 0.000 1.117 144 Y CA 0.497 58.663 58.100 0.110 0.000 1.184 144 Y CB -0.199 38.275 38.460 0.025 0.000 1.047 144 Y HN 0.168 nan 8.280 nan 0.000 0.546 145 L N 0.858 122.132 121.223 0.084 0.000 2.083 145 L HA -0.194 4.147 4.340 0.001 0.000 0.209 145 L C 2.068 179.025 176.870 0.144 0.000 1.083 145 L CA 1.602 56.455 54.840 0.022 0.000 0.752 145 L CB -0.990 41.069 42.059 -0.001 0.000 0.899 145 L HN 0.092 nan 8.230 nan 0.000 0.433 146 K N -0.623 119.849 120.400 0.120 0.000 2.442 146 K HA -0.038 4.282 4.320 0.001 0.000 0.198 146 K C 1.678 178.325 176.600 0.078 0.000 1.042 146 K CA 1.266 57.612 56.287 0.098 0.000 0.958 146 K CB -0.540 32.006 32.500 0.076 0.000 0.766 146 K HN 0.551 nan 8.250 nan 0.000 0.474 147 T N -2.091 112.512 114.554 0.081 0.000 3.144 147 T HA 0.160 4.510 4.350 0.001 0.000 0.249 147 T C 0.391 174.938 174.700 -0.254 0.000 1.089 147 T CA -0.290 61.765 62.100 -0.074 0.000 0.989 147 T CB -0.241 68.550 68.868 -0.128 0.000 0.992 147 T HN -0.194 nan 8.240 nan 0.000 0.540 148 F N 1.070 120.945 119.950 -0.125 0.000 2.507 148 F HA 0.504 5.032 4.527 0.001 0.000 0.327 148 F C 1.508 177.278 175.800 -0.050 0.000 1.068 148 F CA -1.403 56.532 58.000 -0.109 0.000 0.965 148 F CB 2.006 40.923 39.000 -0.139 0.000 1.192 148 F HN -0.123 nan 8.300 nan 0.000 0.476 149 Q N 1.818 121.686 119.800 0.113 0.000 2.096 149 Q HA 0.242 4.582 4.340 0.001 0.000 0.197 149 Q C 0.817 176.858 176.000 0.068 0.000 0.964 149 Q CA 1.110 56.950 55.803 0.062 0.000 0.838 149 Q CB -0.036 28.720 28.738 0.030 0.000 0.906 149 Q HN 0.991 nan 8.270 nan 0.000 0.444 150 G N 0.705 109.558 108.800 0.088 0.000 2.796 150 G HA2 -0.206 3.754 3.960 0.001 0.000 0.571 150 G HA3 -0.206 3.754 3.960 0.001 0.000 0.571 150 G C -2.566 172.328 174.900 -0.011 0.000 1.370 150 G CA -0.519 44.597 45.100 0.026 0.000 0.856 150 G HN 0.271 nan 8.290 nan 0.000 0.538 151 P HA 0.207 nan 4.420 nan 0.000 0.259 151 P C 1.090 178.370 177.300 -0.032 0.000 1.155 151 P CA 1.236 64.303 63.100 -0.055 0.000 0.759 151 P CB 0.387 32.037 31.700 -0.083 0.000 0.753 152 A N 3.893 126.697 122.820 -0.026 0.000 1.902 152 A HA -0.156 4.164 4.320 0.001 0.000 0.217 152 A C 1.745 179.311 177.584 -0.030 0.000 1.181 152 A CA 2.342 54.366 52.037 -0.023 0.000 0.623 152 A CB -1.066 17.924 19.000 -0.017 0.000 0.818 152 A HN 0.512 nan 8.150 nan 0.000 0.443 153 T N -2.251 112.284 114.554 -0.033 0.000 3.156 153 T HA 0.487 4.838 4.350 0.001 0.000 0.236 153 T C 0.932 175.624 174.700 -0.013 0.000 0.978 153 T CA 0.897 62.983 62.100 -0.023 0.000 1.240 153 T CB -0.174 68.680 68.868 -0.024 0.000 0.951 153 T HN 1.704 nan 8.240 nan 0.000 0.420 154 G N 0.696 109.487 108.800 -0.015 0.000 2.719 154 G HA2 -0.108 3.853 3.960 0.001 0.000 0.686 154 G HA3 -0.108 3.853 3.960 0.001 0.000 0.686 154 G C 0.618 175.527 174.900 0.014 0.000 1.201 154 G CA -0.508 44.582 45.100 -0.016 0.000 0.768 154 G HN 0.233 nan 8.290 nan 0.000 0.629 155 V N 2.728 122.648 119.914 0.010 0.000 2.278 155 V HA -0.282 3.839 4.120 0.001 0.000 0.251 155 V C 2.946 179.070 176.094 0.050 0.000 1.062 155 V CA 2.347 64.665 62.300 0.031 0.000 1.038 155 V CB -0.728 31.099 31.823 0.008 0.000 0.646 155 V HN 0.713 nan 8.190 nan 0.000 0.447 156 I N -0.609 119.989 120.570 0.046 0.000 2.113 156 I HA -0.214 3.956 4.170 0.001 0.000 0.238 156 I C 2.397 178.569 176.117 0.091 0.000 1.070 156 I CA 1.747 63.093 61.300 0.078 0.000 1.332 156 I CB -1.338 36.697 38.000 0.058 0.000 1.044 156 I HN 0.339 nan 8.210 nan 0.000 0.402 157 L N 1.057 122.316 121.223 0.060 0.000 2.131 157 L HA -0.191 4.149 4.340 0.001 0.000 0.210 157 L C 2.510 179.413 176.870 0.055 0.000 1.092 157 L CA 1.799 56.673 54.840 0.057 0.000 0.759 157 L CB -0.828 41.250 42.059 0.031 0.000 0.903 157 L HN 0.333 nan 8.230 nan 0.000 0.435 158 E N -0.567 119.666 120.200 0.053 0.000 2.077 158 E HA -0.247 4.103 4.350 0.001 0.000 0.193 158 E C 2.220 178.838 176.600 0.030 0.000 0.989 158 E CA 1.207 57.646 56.400 0.064 0.000 0.800 158 E CB -0.045 29.720 29.700 0.109 0.000 0.746 158 E HN 0.528 nan 8.360 nan 0.000 0.452 159 R N 0.192 120.689 120.500 -0.004 0.000 2.115 159 R HA -0.058 4.282 4.340 0.001 0.000 0.226 159 R C 2.172 178.331 176.300 -0.235 0.000 1.100 159 R CA 1.223 57.209 56.100 -0.190 0.000 0.980 159 R CB -0.111 30.089 30.300 -0.167 0.000 0.875 159 R HN 0.286 nan 8.270 nan 0.000 0.445 160 E N 0.434 120.678 120.200 0.073 0.000 2.274 160 E HA -0.080 4.271 4.350 0.001 0.000 0.194 160 E C 1.917 178.566 176.600 0.083 0.000 0.996 160 E CA 0.523 57.042 56.400 0.198 0.000 0.840 160 E CB 0.158 29.980 29.700 0.204 0.000 0.772 160 E HN 0.282 nan 8.360 nan 0.000 0.491 161 R N 0.129 120.647 120.500 0.031 0.000 2.127 161 R HA 0.059 4.399 4.340 0.001 0.000 0.217 161 R C 2.136 178.435 176.300 -0.000 0.000 1.074 161 R CA 0.571 56.688 56.100 0.028 0.000 0.991 161 R CB 0.061 30.384 30.300 0.037 0.000 0.895 161 R HN 0.189 nan 8.270 nan 0.000 0.450 162 L N 0.198 121.386 121.223 -0.058 0.000 2.477 162 L HA 0.062 4.403 4.340 0.001 0.000 0.220 162 L C 0.185 176.957 176.870 -0.165 0.000 1.106 162 L CA 0.095 54.873 54.840 -0.102 0.000 0.851 162 L CB -0.161 41.819 42.059 -0.133 0.000 0.994 162 L HN 0.139 nan 8.230 nan 0.000 0.462 163 D N 1.585 121.845 120.400 -0.234 0.000 2.746 163 D HA -0.186 4.454 4.640 0.001 0.000 0.236 163 D C -0.228 175.832 176.300 -0.399 0.000 1.129 163 D CA 0.833 54.722 54.000 -0.186 0.000 0.691 163 D CB -0.706 40.106 40.800 0.021 0.000 1.077 163 D HN 0.303 nan 8.370 nan 0.000 0.432 164 K N 0.699 120.585 120.400 -0.857 0.000 2.545 164 K HA 0.556 4.877 4.320 0.001 0.000 0.252 164 K C -0.527 175.557 176.600 -0.861 0.000 0.948 164 K CA -0.609 55.321 56.287 -0.595 0.000 0.827 164 K CB 1.170 33.471 32.500 -0.331 0.000 1.128 164 K HN -0.031 nan 8.250 nan 0.000 0.429 165 F N -0.758 119.193 119.950 0.001 0.000 2.664 165 F HA 0.438 4.965 4.527 0.001 0.000 0.329 165 F C 1.325 177.127 175.800 0.004 0.000 1.090 165 F CA -0.891 57.113 58.000 0.006 0.000 0.978 165 F CB 1.567 40.571 39.000 0.007 0.000 1.378 165 F HN 0.669 nan 8.300 nan 0.000 0.495 166 G N 1.126 110.060 108.800 0.223 0.000 2.212 166 G HA2 -0.272 3.689 3.960 0.001 0.000 0.267 166 G HA3 -0.272 3.689 3.960 0.001 0.000 0.267 166 G C -0.150 174.790 174.900 0.067 0.000 1.002 166 G CA 0.816 45.987 45.100 0.118 0.000 0.729 166 G HN 0.943 nan 8.290 nan 0.000 0.517 167 R N -1.980 118.552 120.500 0.053 0.000 2.629 167 R HA 0.616 4.956 4.340 0.001 0.000 0.266 167 R C -3.411 172.902 176.300 0.021 0.000 1.051 167 R CA -2.000 54.115 56.100 0.026 0.000 0.895 167 R CB 0.725 31.034 30.300 0.014 0.000 1.246 167 R HN 0.011 nan 8.270 nan 0.000 0.459 168 P HA 0.067 nan 4.420 nan 0.000 0.270 168 P C -0.595 176.720 177.300 0.025 0.000 1.223 168 P CA -0.242 62.880 63.100 0.036 0.000 0.785 168 P CB 0.503 32.237 31.700 0.057 0.000 0.923 169 L N 1.253 122.493 121.223 0.028 0.000 2.379 169 L HA 0.429 4.769 4.340 0.001 0.000 0.269 169 L C 0.134 177.044 176.870 0.065 0.000 1.084 169 L CA -0.698 54.153 54.840 0.018 0.000 0.802 169 L CB 0.334 42.430 42.059 0.063 0.000 1.175 169 L HN 0.160 nan 8.230 nan 0.000 0.448 170 L N 1.057 122.310 121.223 0.051 0.000 2.329 170 L HA 0.756 5.096 4.340 0.001 0.000 0.279 170 L C 0.234 177.184 176.870 0.133 0.000 1.014 170 L CA -0.321 54.594 54.840 0.125 0.000 0.814 170 L CB 1.791 43.923 42.059 0.122 0.000 1.257 170 L HN 0.703 nan 8.230 nan 0.000 0.424 171 G N 0.631 109.526 108.800 0.157 0.000 2.798 171 G HA2 0.649 4.609 3.960 0.001 0.000 0.286 171 G HA3 0.649 4.609 3.960 0.001 0.000 0.286 171 G C -1.933 173.020 174.900 0.087 0.000 1.389 171 G CA -0.535 44.629 45.100 0.108 0.000 0.894 171 G HN 0.741 nan 8.290 nan 0.000 0.488 172 C N -0.198 119.104 119.300 0.004 0.000 3.146 172 C HA 0.682 5.142 4.460 0.001 0.000 0.405 172 C C -0.300 174.674 174.990 -0.027 0.000 1.012 172 C CA -0.446 58.591 59.018 0.032 0.000 1.217 172 C CB 0.607 28.393 27.740 0.077 0.000 1.599 172 C HN 0.839 nan 8.230 nan 0.000 0.567 173 T N 5.137 119.692 114.554 0.001 0.000 2.780 173 T HA 0.370 4.720 4.350 0.001 0.000 0.294 173 T C 0.516 175.228 174.700 0.020 0.000 0.949 173 T CA 0.388 62.495 62.100 0.013 0.000 1.074 173 T CB 0.903 69.807 68.868 0.059 0.000 0.910 173 T HN 0.878 nan 8.240 nan 0.000 0.501 174 T N 5.944 120.507 114.554 0.014 0.000 2.933 174 T HA 0.126 4.477 4.350 0.001 0.000 0.306 174 T C 0.265 174.945 174.700 -0.033 0.000 1.045 174 T CA 0.039 62.084 62.100 -0.091 0.000 1.143 174 T CB 0.143 68.798 68.868 -0.355 0.000 1.003 174 T HN 0.299 nan 8.240 nan 0.000 0.540 175 K N 3.188 123.558 120.400 -0.050 0.000 2.469 175 K HA 0.436 4.757 4.320 0.001 0.000 0.254 175 K C -2.401 174.185 176.600 -0.024 0.000 0.939 175 K CA -2.084 54.197 56.287 -0.009 0.000 0.812 175 K CB 1.646 34.156 32.500 0.017 0.000 1.301 175 K HN 0.357 nan 8.250 nan 0.000 0.433 176 P HA 0.101 nan 4.420 nan 0.000 0.270 176 P C 0.311 177.622 177.300 0.017 0.000 1.227 176 P CA -0.134 62.964 63.100 -0.004 0.000 0.788 176 P CB 0.974 32.659 31.700 -0.026 0.000 0.926 177 K N -0.199 120.216 120.400 0.025 0.000 2.020 177 K HA -0.076 4.245 4.320 0.001 0.000 0.212 177 K C 0.967 177.619 176.600 0.087 0.000 1.050 177 K CA 1.252 57.575 56.287 0.060 0.000 0.929 177 K CB -0.281 32.242 32.500 0.040 0.000 0.714 177 K HN 0.385 nan 8.250 nan 0.000 0.443 178 L N -2.625 118.592 121.223 -0.009 0.000 2.256 178 L HA 0.412 4.753 4.340 0.001 0.000 0.261 178 L C 1.082 177.704 176.870 -0.414 0.000 1.022 178 L CA -0.298 54.456 54.840 -0.143 0.000 0.828 178 L CB 1.899 43.859 42.059 -0.164 0.000 1.374 178 L HN 0.453 nan 8.230 nan 0.000 0.436 179 G N 0.054 108.178 108.800 -1.127 0.000 2.345 179 G HA2 -0.222 3.738 3.960 0.001 0.000 0.218 179 G HA3 -0.222 3.738 3.960 0.001 0.000 0.218 179 G C 0.094 174.831 174.900 -0.271 0.000 1.058 179 G CA -0.326 44.275 45.100 -0.831 0.000 0.632 179 G HN 0.315 nan 8.290 nan 0.000 0.508 180 L N 2.311 123.526 121.223 -0.013 0.000 2.467 180 L HA 0.467 4.807 4.340 0.001 0.000 0.270 180 L C 1.533 178.582 176.870 0.299 0.000 1.205 180 L CA 0.345 55.279 54.840 0.157 0.000 0.828 180 L CB 1.020 43.202 42.059 0.205 0.000 1.101 180 L HN 0.606 nan 8.230 nan 0.000 0.479 181 S N 0.720 116.538 115.700 0.195 0.000 2.693 181 S HA 0.305 4.776 4.470 0.001 0.000 0.276 181 S C 1.085 175.753 174.600 0.113 0.000 1.192 181 S CA -0.311 57.981 58.200 0.152 0.000 0.994 181 S CB 1.521 64.749 63.200 0.048 0.000 1.012 181 S HN 0.764 nan 8.310 nan 0.000 0.550 182 G N 1.008 109.829 108.800 0.034 0.000 2.440 182 G HA2 -0.259 3.702 3.960 0.001 0.000 0.218 182 G HA3 -0.259 3.702 3.960 0.001 0.000 0.218 182 G C 1.320 176.025 174.900 -0.326 0.000 1.154 182 G CA 1.223 46.327 45.100 0.007 0.000 0.767 182 G HN 0.753 nan 8.290 nan 0.000 0.552 183 K N 1.281 121.220 120.400 -0.768 0.000 2.002 183 K HA -0.063 4.258 4.320 0.001 0.000 0.209 183 K C 2.121 178.484 176.600 -0.396 0.000 1.048 183 K CA 1.603 57.219 56.287 -1.118 0.000 0.930 183 K CB -0.417 31.603 32.500 -0.800 0.000 0.714 183 K HN 0.219 nan 8.250 nan 0.000 0.438 184 N N -0.538 118.057 118.700 -0.176 0.000 2.459 184 N HA -0.129 4.611 4.740 0.001 0.000 0.181 184 N C 1.448 176.960 175.510 0.003 0.000 1.046 184 N CA 0.723 53.738 53.050 -0.059 0.000 0.904 184 N CB -0.176 38.297 38.487 -0.023 0.000 0.964 184 N HN 0.284 nan 8.380 nan 0.000 0.444 185 Y N 1.420 121.680 120.300 -0.067 0.000 2.220 185 Y HA -0.017 4.534 4.550 0.001 0.000 0.291 185 Y C 2.456 178.346 175.900 -0.016 0.000 1.129 185 Y CA 1.492 59.588 58.100 -0.006 0.000 1.161 185 Y CB -0.420 38.061 38.460 0.035 0.000 0.997 185 Y HN 0.032 nan 8.280 nan 0.000 0.522 186 G N -0.173 108.721 108.800 0.158 0.000 2.448 186 G HA2 -0.218 3.742 3.960 0.001 0.000 0.219 186 G HA3 -0.218 3.742 3.960 0.001 0.000 0.219 186 G C 1.832 176.790 174.900 0.097 0.000 1.127 186 G CA 0.395 45.574 45.100 0.131 0.000 0.766 186 G HN 0.151 nan 8.290 nan 0.000 0.552 187 R N 0.238 120.771 120.500 0.056 0.000 2.070 187 R HA -0.052 4.288 4.340 0.001 0.000 0.233 187 R C 2.742 179.091 176.300 0.081 0.000 1.137 187 R CA 1.334 57.481 56.100 0.078 0.000 0.945 187 R CB -0.918 29.400 30.300 0.031 0.000 0.845 187 R HN 0.310 nan 8.270 nan 0.000 0.430 188 V N 0.581 120.492 119.914 -0.005 0.000 2.295 188 V HA -0.225 3.896 4.120 0.001 0.000 0.246 188 V C 2.603 178.692 176.094 -0.008 0.000 1.049 188 V CA 1.665 63.941 62.300 -0.041 0.000 1.024 188 V CB -0.513 31.220 31.823 -0.150 0.000 0.648 188 V HN 0.076 nan 8.190 nan 0.000 0.447 189 V N -0.696 119.217 119.914 -0.001 0.000 2.287 189 V HA -0.326 3.794 4.120 0.001 0.000 0.248 189 V C 2.214 178.375 176.094 0.110 0.000 1.053 189 V CA 2.674 65.004 62.300 0.049 0.000 1.027 189 V CB -0.887 30.930 31.823 -0.011 0.000 0.646 189 V HN 0.652 nan 8.190 nan 0.000 0.447 190 Y N 1.335 121.639 120.300 0.006 0.000 2.114 190 Y HA -0.183 4.367 4.550 0.001 0.000 0.284 190 Y C 2.653 178.557 175.900 0.006 0.000 1.143 190 Y CA 1.893 60.001 58.100 0.014 0.000 1.135 190 Y CB -0.366 38.106 38.460 0.020 0.000 0.980 190 Y HN 0.234 nan 8.280 nan 0.000 0.499 191 E N 0.546 120.681 120.200 -0.108 0.000 2.070 191 E HA -0.258 4.093 4.350 0.001 0.000 0.197 191 E C 2.410 178.902 176.600 -0.179 0.000 1.004 191 E CA 1.433 57.706 56.400 -0.212 0.000 0.805 191 E CB -0.938 28.725 29.700 -0.062 0.000 0.744 191 E HN 0.581 nan 8.360 nan 0.000 0.451 192 A N 1.103 123.871 122.820 -0.086 0.000 1.898 192 A HA -0.089 4.231 4.320 0.001 0.000 0.216 192 A C 2.432 179.976 177.584 -0.066 0.000 1.181 192 A CA 0.938 52.941 52.037 -0.057 0.000 0.620 192 A CB -0.623 18.372 19.000 -0.008 0.000 0.819 192 A HN 0.157 nan 8.150 nan 0.000 0.442 193 L N -0.596 120.593 121.223 -0.056 0.000 2.056 193 L HA -0.172 4.169 4.340 0.001 0.000 0.207 193 L C 2.652 179.459 176.870 -0.104 0.000 1.078 193 L CA 1.916 56.729 54.840 -0.045 0.000 0.749 193 L CB -0.417 41.654 42.059 0.020 0.000 0.901 193 L HN 0.484 nan 8.230 nan 0.000 0.433 194 K N 0.405 120.678 120.400 -0.211 0.000 2.211 194 K HA -0.111 4.209 4.320 0.001 0.000 0.203 194 K C 1.838 178.332 176.600 -0.177 0.000 1.050 194 K CA 1.202 57.343 56.287 -0.243 0.000 0.945 194 K CB -0.108 32.093 32.500 -0.498 0.000 0.732 194 K HN 0.315 nan 8.250 nan 0.000 0.451 195 G N -0.714 107.987 108.800 -0.165 0.000 2.650 195 G HA2 0.065 4.025 3.960 0.001 0.000 0.214 195 G HA3 0.065 4.025 3.960 0.001 0.000 0.214 195 G C 0.885 175.727 174.900 -0.097 0.000 1.136 195 G CA 0.620 45.643 45.100 -0.128 0.000 0.789 195 G HN 0.536 nan 8.290 nan 0.000 0.536 196 G N -0.779 107.971 108.800 -0.084 0.000 3.033 196 G HA2 -0.139 3.821 3.960 0.001 0.000 0.208 196 G HA3 -0.139 3.821 3.960 0.001 0.000 0.208 196 G C 0.395 175.261 174.900 -0.058 0.000 1.006 196 G CA -0.320 44.740 45.100 -0.068 0.000 0.808 196 G HN 0.282 nan 8.290 nan 0.000 0.499 197 L N 1.612 122.807 121.223 -0.046 0.000 2.483 197 L HA 0.264 4.605 4.340 0.001 0.000 0.275 197 L C 0.940 177.762 176.870 -0.080 0.000 1.220 197 L CA 0.011 54.834 54.840 -0.027 0.000 0.833 197 L CB 0.435 42.499 42.059 0.009 0.000 1.102 197 L HN 0.085 nan 8.230 nan 0.000 0.490 198 D N 0.757 121.072 120.400 -0.141 0.000 2.277 198 D HA 0.121 4.762 4.640 0.001 0.000 0.209 198 D C -0.126 175.891 176.300 -0.472 0.000 0.970 198 D CA 1.148 54.928 54.000 -0.366 0.000 0.874 198 D CB 0.516 40.994 40.800 -0.537 0.000 0.982 198 D HN 0.137 nan 8.370 nan 0.000 0.504 199 F N -0.220 119.736 119.950 0.010 0.000 2.629 199 F HA 0.467 4.995 4.527 0.001 0.000 0.316 199 F C -0.065 175.657 175.800 -0.130 0.000 1.081 199 F CA -1.131 56.843 58.000 -0.045 0.000 0.954 199 F CB 1.759 40.717 39.000 -0.071 0.000 1.337 199 F HN -0.442 nan 8.300 nan 0.000 0.474 200 V N 0.939 120.881 119.914 0.047 0.000 3.078 200 V HA 0.681 4.802 4.120 0.001 0.000 0.311 200 V C -1.266 174.565 176.094 -0.439 0.000 1.138 200 V CA -1.219 61.075 62.300 -0.010 0.000 1.007 200 V CB 2.728 34.729 31.823 0.296 0.000 1.045 200 V HN 0.763 nan 8.190 nan 0.000 0.432 201 K N 0.235 120.371 120.400 -0.440 0.000 2.527 201 K HA 0.631 4.952 4.320 0.001 0.000 0.260 201 K C -1.684 174.852 176.600 -0.106 0.000 0.937 201 K CA -0.967 54.927 56.287 -0.655 0.000 0.826 201 K CB 2.257 34.268 32.500 -0.815 0.000 1.359 201 K HN 0.418 nan 8.250 nan 0.000 0.434 202 D N 1.344 121.754 120.400 0.016 0.000 2.361 202 D HA 0.047 4.688 4.640 0.001 0.000 0.239 202 D C -0.378 176.042 176.300 0.201 0.000 1.200 202 D CA 0.306 54.497 54.000 0.318 0.000 0.915 202 D CB 0.731 41.675 40.800 0.240 0.000 1.170 202 D HN 0.494 nan 8.370 nan 0.000 0.444 203 D N -0.131 120.399 120.400 0.217 0.000 2.383 203 D HA -0.034 4.607 4.640 0.001 0.000 0.248 203 D C 1.380 177.702 176.300 0.036 0.000 1.170 203 D CA -0.297 53.777 54.000 0.123 0.000 0.977 203 D CB 0.748 41.616 40.800 0.114 0.000 1.120 203 D HN 0.399 nan 8.370 nan 0.000 0.481 204 E N 1.032 121.151 120.200 -0.136 0.000 2.118 204 E HA -0.262 4.088 4.350 0.001 0.000 0.195 204 E C 0.604 177.120 176.600 -0.140 0.000 0.992 204 E CA 1.129 57.330 56.400 -0.331 0.000 0.804 204 E CB -0.396 28.767 29.700 -0.895 0.000 0.741 204 E HN 0.481 nan 8.360 nan 0.000 0.458 205 N N 0.960 119.624 118.700 -0.059 0.000 2.270 205 N HA 0.034 4.774 4.740 0.001 0.000 0.198 205 N C 0.169 175.728 175.510 0.082 0.000 1.117 205 N CA -0.092 52.961 53.050 0.005 0.000 0.845 205 N CB 0.186 38.683 38.487 0.017 0.000 0.980 205 N HN 0.106 nan 8.380 nan 0.000 0.486 206 I N 1.883 122.517 120.570 0.106 0.000 2.281 206 I HA 0.181 4.351 4.170 0.001 0.000 0.293 206 I C 0.214 176.385 176.117 0.090 0.000 1.085 206 I CA -0.003 61.388 61.300 0.153 0.000 1.257 206 I CB -0.156 37.964 38.000 0.201 0.000 1.430 206 I HN 0.164 nan 8.210 nan 0.000 0.489 207 N N 3.319 122.050 118.700 0.051 0.000 3.189 207 N HA 0.163 4.903 4.740 0.001 0.000 0.204 207 N C -0.202 175.321 175.510 0.022 0.000 1.231 207 N CA -0.263 52.796 53.050 0.014 0.000 1.130 207 N CB 0.641 39.105 38.487 -0.037 0.000 1.393 207 N HN 0.383 nan 8.380 nan 0.000 0.540 208 S N 0.164 115.844 115.700 -0.034 0.000 2.626 208 S HA 0.403 4.874 4.470 0.001 0.000 0.275 208 S C -1.947 172.566 174.600 -0.145 0.000 1.175 208 S CA -0.435 57.748 58.200 -0.030 0.000 0.982 208 S CB 1.160 64.430 63.200 0.117 0.000 1.093 208 S HN 0.267 nan 8.310 nan 0.000 0.472 209 Q N 3.210 122.809 119.800 -0.335 0.000 2.615 209 Q HA 0.498 4.839 4.340 0.001 0.000 0.298 209 Q C -2.196 173.551 176.000 -0.422 0.000 1.023 209 Q CA -1.700 53.855 55.803 -0.413 0.000 0.768 209 Q CB 1.206 29.572 28.738 -0.620 0.000 1.500 209 Q HN 0.268 nan 8.270 nan 0.000 0.441 210 P HA -0.173 nan 4.420 nan 0.000 0.217 210 P C 0.436 177.704 177.300 -0.052 0.000 1.148 210 P CA 1.346 64.390 63.100 -0.093 0.000 0.828 210 P CB 0.076 31.783 31.700 0.012 0.000 0.783 211 F N -2.827 117.142 119.950 0.031 0.000 2.743 211 F HA 0.378 4.906 4.527 0.001 0.000 0.297 211 F C 0.792 176.613 175.800 0.036 0.000 1.131 211 F CA -0.189 57.831 58.000 0.033 0.000 1.426 211 F CB -0.389 38.634 39.000 0.038 0.000 1.116 211 F HN -0.198 nan 8.300 nan 0.000 0.583 212 M N 1.321 120.713 119.600 -0.348 0.000 2.396 212 M HA 0.304 4.784 4.480 0.001 0.000 0.222 212 M C -1.545 174.629 176.300 -0.210 0.000 0.972 212 M CA -0.507 54.700 55.300 -0.154 0.000 0.887 212 M CB 1.002 33.629 32.600 0.045 0.000 2.378 212 M HN -0.172 nan 8.290 nan 0.000 0.446 213 R N 3.509 123.948 120.500 -0.103 0.000 2.531 213 R HA 0.298 4.639 4.340 0.001 0.000 0.273 213 R C 1.078 177.364 176.300 -0.024 0.000 1.070 213 R CA -0.177 55.882 56.100 -0.069 0.000 1.112 213 R CB 0.467 30.706 30.300 -0.102 0.000 1.049 213 R HN 0.955 nan 8.270 nan 0.000 0.508 214 W N 3.576 124.802 121.300 -0.124 0.000 2.363 214 W HA -0.164 4.496 4.660 0.001 0.000 0.296 214 W C 0.978 177.413 176.519 -0.139 0.000 1.212 214 W CA 0.728 57.998 57.345 -0.126 0.000 1.260 214 W CB -0.574 28.750 29.460 -0.228 0.000 1.131 214 W HN 0.464 nan 8.180 nan 0.000 0.530 215 R N 1.068 120.973 120.500 -0.992 0.000 2.096 215 R HA -0.153 4.187 4.340 0.001 0.000 0.235 215 R C 2.139 178.373 176.300 -0.109 0.000 1.127 215 R CA 2.245 57.887 56.100 -0.763 0.000 0.968 215 R CB -0.423 29.248 30.300 -1.047 0.000 0.861 215 R HN 0.212 nan 8.270 nan 0.000 0.440 216 E N 0.320 120.485 120.200 -0.059 0.000 2.085 216 E HA -0.200 4.150 4.350 0.001 0.000 0.194 216 E C 1.984 178.783 176.600 0.331 0.000 0.994 216 E CA 1.143 57.647 56.400 0.173 0.000 0.801 216 E CB -0.125 29.697 29.700 0.203 0.000 0.743 216 E HN 0.209 nan 8.360 nan 0.000 0.453 217 R N -0.493 120.158 120.500 0.251 0.000 2.096 217 R HA -0.168 4.173 4.340 0.001 0.000 0.235 217 R C 1.772 178.286 176.300 0.357 0.000 1.127 217 R CA 1.221 57.472 56.100 0.252 0.000 0.968 217 R CB -0.145 30.222 30.300 0.111 0.000 0.861 217 R HN 0.197 nan 8.270 nan 0.000 0.440 218 Y N 0.235 120.622 120.300 0.144 0.000 2.163 218 Y HA -0.193 4.357 4.550 0.001 0.000 0.288 218 Y C 2.083 177.987 175.900 0.007 0.000 1.136 218 Y CA 0.757 58.921 58.100 0.106 0.000 1.147 218 Y CB -0.583 37.974 38.460 0.162 0.000 0.987 218 Y HN 0.043 nan 8.280 nan 0.000 0.509 219 L N -1.179 120.150 121.223 0.175 0.000 1.989 219 L HA -0.227 4.114 4.340 0.001 0.000 0.211 219 L C 2.304 179.136 176.870 -0.064 0.000 1.071 219 L CA 1.723 56.549 54.840 -0.023 0.000 0.749 219 L CB -1.692 40.299 42.059 -0.114 0.000 0.890 219 L HN 0.149 nan 8.230 nan 0.000 0.431 220 F N -0.481 119.500 119.950 0.051 0.000 2.134 220 F HA -0.210 4.318 4.527 0.001 0.000 0.299 220 F C 2.524 178.335 175.800 0.018 0.000 1.097 220 F CA 1.643 59.664 58.000 0.034 0.000 1.264 220 F CB -0.794 38.238 39.000 0.054 0.000 1.001 220 F HN 0.053 nan 8.300 nan 0.000 0.479 221 T N -0.038 114.636 114.554 0.199 0.000 2.746 221 T HA -0.184 4.166 4.350 0.001 0.000 0.267 221 T C 2.054 176.774 174.700 0.034 0.000 1.039 221 T CA 1.185 63.316 62.100 0.051 0.000 1.142 221 T CB -0.158 68.661 68.868 -0.081 0.000 0.866 221 T HN 0.032 nan 8.240 nan 0.000 0.444 222 M N 1.000 120.615 119.600 0.024 0.000 2.213 222 M HA -0.017 4.463 4.480 0.001 0.000 0.263 222 M C 2.254 178.563 176.300 0.015 0.000 1.062 222 M CA 1.239 56.545 55.300 0.010 0.000 1.105 222 M CB -1.033 31.546 32.600 -0.035 0.000 1.385 222 M HN 0.243 nan 8.290 nan 0.000 0.417 223 E N 0.715 120.920 120.200 0.009 0.000 2.047 223 E HA -0.076 4.274 4.350 0.001 0.000 0.191 223 E C 1.920 178.526 176.600 0.009 0.000 0.987 223 E CA 1.925 58.322 56.400 -0.005 0.000 0.799 223 E CB -0.256 29.433 29.700 -0.018 0.000 0.752 223 E HN 0.344 nan 8.360 nan 0.000 0.449 224 A N 0.260 123.109 122.820 0.047 0.000 1.902 224 A HA -0.106 4.215 4.320 0.001 0.000 0.217 224 A C 2.512 180.191 177.584 0.159 0.000 1.181 224 A CA 1.632 53.721 52.037 0.088 0.000 0.623 224 A CB -0.769 18.315 19.000 0.140 0.000 0.818 224 A HN 0.201 nan 8.150 nan 0.000 0.443 225 V N 1.127 121.112 119.914 0.118 0.000 2.295 225 V HA -0.264 3.857 4.120 0.001 0.000 0.246 225 V C 2.239 178.399 176.094 0.109 0.000 1.049 225 V CA 2.099 64.475 62.300 0.127 0.000 1.024 225 V CB -0.932 30.963 31.823 0.121 0.000 0.648 225 V HN 0.567 nan 8.190 nan 0.000 0.447 226 N N 0.051 118.797 118.700 0.076 0.000 2.244 226 N HA -0.127 4.613 4.740 0.001 0.000 0.183 226 N C 1.841 177.394 175.510 0.072 0.000 1.016 226 N CA 1.099 54.185 53.050 0.059 0.000 0.866 226 N CB -0.175 38.331 38.487 0.032 0.000 0.980 226 N HN 0.535 nan 8.380 nan 0.000 0.430 227 K N 1.054 121.504 120.400 0.082 0.000 2.025 227 K HA 0.013 4.333 4.320 0.001 0.000 0.207 227 K C 2.148 178.898 176.600 0.249 0.000 1.049 227 K CA 1.071 57.424 56.287 0.110 0.000 0.933 227 K CB -0.135 32.335 32.500 -0.049 0.000 0.714 227 K HN 0.075 nan 8.250 nan 0.000 0.438 228 A N 1.167 124.176 122.820 0.316 0.000 1.883 228 A HA -0.239 4.081 4.320 0.001 0.000 0.217 228 A C 2.250 179.893 177.584 0.099 0.000 1.186 228 A CA 2.317 54.474 52.037 0.201 0.000 0.624 228 A CB -0.887 18.195 19.000 0.136 0.000 0.822 228 A HN 0.336 nan 8.150 nan 0.000 0.444 229 S N -0.310 115.443 115.700 0.087 0.000 2.359 229 S HA -0.103 4.368 4.470 0.001 0.000 0.224 229 S C 2.149 176.778 174.600 0.048 0.000 1.035 229 S CA 1.827 60.058 58.200 0.052 0.000 1.018 229 S CB -0.541 62.689 63.200 0.049 0.000 0.876 229 S HN 0.939 nan 8.310 nan 0.000 0.448 230 A N 0.603 123.461 122.820 0.063 0.000 2.015 230 A HA 0.345 4.666 4.320 0.001 0.000 0.219 230 A C 2.194 179.812 177.584 0.057 0.000 1.163 230 A CA 1.573 53.642 52.037 0.053 0.000 0.646 230 A CB -0.879 18.153 19.000 0.052 0.000 0.806 230 A HN 0.806 nan 8.150 nan 0.000 0.448 231 A N -1.019 121.849 122.820 0.079 0.000 2.275 231 A HA 0.259 4.580 4.320 0.001 0.000 0.212 231 A C 1.820 179.420 177.584 0.025 0.000 1.201 231 A CA 1.635 53.712 52.037 0.068 0.000 0.843 231 A CB -0.359 18.710 19.000 0.115 0.000 0.873 231 A HN 0.715 nan 8.150 nan 0.000 0.492 232 T N -6.917 107.647 114.554 0.018 0.000 2.992 232 T HA 0.410 4.760 4.350 0.001 0.000 0.255 232 T C 1.392 176.091 174.700 -0.001 0.000 0.938 232 T CA 1.076 63.174 62.100 -0.003 0.000 0.895 232 T CB 0.141 68.997 68.868 -0.020 0.000 1.221 232 T HN 1.586 nan 8.240 nan 0.000 0.512 233 G N 1.435 110.239 108.800 0.007 0.000 2.159 233 G HA2 -0.212 3.749 3.960 0.001 0.000 0.256 233 G HA3 -0.212 3.749 3.960 0.001 0.000 0.256 233 G C -0.249 174.651 174.900 -0.000 0.000 0.977 233 G CA 0.340 45.444 45.100 0.007 0.000 0.652 233 G HN 0.701 nan 8.290 nan 0.000 0.531 234 E N -0.939 119.256 120.200 -0.008 0.000 2.232 234 E HA 0.579 4.930 4.350 0.001 0.000 0.264 234 E C -0.188 176.402 176.600 -0.017 0.000 0.973 234 E CA -1.014 55.371 56.400 -0.024 0.000 0.849 234 E CB 2.296 31.967 29.700 -0.047 0.000 1.198 234 E HN 0.039 nan 8.360 nan 0.000 0.407 235 V N 3.196 123.092 119.914 -0.031 0.000 2.408 235 V HA 0.133 4.253 4.120 0.001 0.000 0.267 235 V C 0.065 176.139 176.094 -0.032 0.000 1.047 235 V CA -0.131 62.161 62.300 -0.014 0.000 0.937 235 V CB 0.395 32.210 31.823 -0.013 0.000 0.999 235 V HN 0.460 nan 8.190 nan 0.000 0.472 236 K N 3.150 123.555 120.400 0.009 0.000 2.238 236 K HA 0.876 5.196 4.320 0.001 0.000 0.239 236 K C 0.090 176.762 176.600 0.120 0.000 0.987 236 K CA -0.513 55.785 56.287 0.018 0.000 0.857 236 K CB 2.377 34.901 32.500 0.039 0.000 1.154 236 K HN 0.804 nan 8.250 nan 0.000 0.439 237 G N 0.002 108.935 108.800 0.222 0.000 2.673 237 G HA2 0.391 4.351 3.960 0.001 0.000 0.292 237 G HA3 0.391 4.351 3.960 0.001 0.000 0.292 237 G C -2.122 173.068 174.900 0.483 0.000 1.450 237 G CA -0.470 44.861 45.100 0.385 0.000 0.837 237 G HN 0.616 nan 8.290 nan 0.000 0.505 238 H N 0.010 119.237 119.070 0.260 0.000 2.689 238 H HA 0.581 5.137 4.556 0.001 0.000 0.346 238 H C -1.078 174.365 175.328 0.192 0.000 1.037 238 H CA -0.817 55.339 56.048 0.179 0.000 1.234 238 H CB 0.995 30.834 29.762 0.129 0.000 1.572 238 H HN 0.370 nan 8.280 nan 0.000 0.524 239 Y N 5.541 125.537 120.300 -0.506 0.000 2.730 239 Y HA 0.097 4.648 4.550 0.001 0.000 0.354 239 Y C 0.159 175.872 175.900 -0.313 0.000 1.139 239 Y CA -0.513 57.359 58.100 -0.379 0.000 1.516 239 Y CB -0.637 37.600 38.460 -0.371 0.000 1.204 239 Y HN 0.465 nan 8.280 nan 0.000 0.520 240 L N 4.210 125.422 121.223 -0.018 0.000 2.315 240 L HA 0.184 4.525 4.340 0.001 0.000 0.283 240 L C 0.728 177.595 176.870 -0.005 0.000 1.089 240 L CA -0.019 54.755 54.840 -0.110 0.000 0.833 240 L CB 0.337 42.079 42.059 -0.528 0.000 1.170 240 L HN 0.597 nan 8.230 nan 0.000 0.442 241 N N 2.202 120.957 118.700 0.090 0.000 2.420 241 N HA 0.110 4.851 4.740 0.001 0.000 0.262 241 N C 0.848 176.429 175.510 0.118 0.000 1.144 241 N CA -0.438 52.673 53.050 0.102 0.000 0.952 241 N CB 1.074 39.623 38.487 0.102 0.000 1.081 241 N HN 0.520 nan 8.380 nan 0.000 0.480 242 V N 0.639 120.571 119.914 0.031 0.000 3.647 242 V HA 0.143 4.263 4.120 0.001 0.000 0.279 242 V C 0.688 176.684 176.094 -0.163 0.000 1.314 242 V CA -0.166 62.094 62.300 -0.067 0.000 1.125 242 V CB -0.415 31.330 31.823 -0.131 0.000 0.907 242 V HN 0.450 nan 8.190 nan 0.000 0.434 243 T N 3.035 117.526 114.554 -0.105 0.000 2.891 243 T HA 0.494 4.844 4.350 0.001 0.000 0.296 243 T C 0.181 174.784 174.700 -0.161 0.000 1.025 243 T CA 1.201 63.229 62.100 -0.119 0.000 1.149 243 T CB 0.446 69.270 68.868 -0.073 0.000 1.007 243 T HN 1.131 nan 8.240 nan 0.000 0.528 244 A N 2.012 124.728 122.820 -0.174 0.000 2.557 244 A HA 0.831 5.152 4.320 0.001 0.000 0.292 244 A C 1.049 178.546 177.584 -0.144 0.000 1.139 244 A CA -0.204 51.723 52.037 -0.184 0.000 0.665 244 A CB 0.253 19.097 19.000 -0.260 0.000 1.285 244 A HN 0.773 nan 8.150 nan 0.000 0.433 245 A N -0.328 122.416 122.820 -0.126 0.000 1.873 245 A HA 0.328 4.649 4.320 0.001 0.000 0.215 245 A C 1.398 178.923 177.584 -0.098 0.000 1.186 245 A CA 2.518 54.497 52.037 -0.097 0.000 0.616 245 A CB -0.899 18.054 19.000 -0.078 0.000 0.823 245 A HN 2.000 nan 8.150 nan 0.000 0.442 246 T N -5.375 109.114 114.554 -0.108 0.000 2.942 246 T HA 0.509 4.859 4.350 0.001 0.000 0.289 246 T C 0.647 175.267 174.700 -0.134 0.000 1.044 246 T CA -0.065 61.976 62.100 -0.098 0.000 1.023 246 T CB 1.324 70.150 68.868 -0.069 0.000 1.123 246 T HN 0.029 nan 8.240 nan 0.000 0.512 247 M N 0.528 120.054 119.600 -0.123 0.000 2.175 247 M HA 0.067 4.547 4.480 0.001 0.000 0.264 247 M C 1.846 178.061 176.300 -0.142 0.000 1.063 247 M CA 1.670 56.852 55.300 -0.197 0.000 1.119 247 M CB -1.000 31.517 32.600 -0.140 0.000 1.377 247 M HN 0.805 nan 8.290 nan 0.000 0.415 248 E N -0.111 120.081 120.200 -0.013 0.000 2.058 248 E HA -0.227 4.123 4.350 0.001 0.000 0.194 248 E C 1.984 178.574 176.600 -0.018 0.000 0.997 248 E CA 1.590 58.027 56.400 0.062 0.000 0.801 248 E CB -0.360 29.358 29.700 0.030 0.000 0.746 248 E HN 0.495 nan 8.360 nan 0.000 0.450 249 E N 0.067 120.205 120.200 -0.102 0.000 2.110 249 E HA -0.097 4.253 4.350 0.001 0.000 0.193 249 E C 1.840 178.266 176.600 -0.290 0.000 0.988 249 E CA 1.172 57.461 56.400 -0.186 0.000 0.804 249 E CB -0.094 29.490 29.700 -0.193 0.000 0.745 249 E HN 0.269 nan 8.360 nan 0.000 0.458 250 M N -0.980 118.447 119.600 -0.288 0.000 2.175 250 M HA -0.139 4.341 4.480 0.001 0.000 0.264 250 M C 1.672 177.748 176.300 -0.373 0.000 1.063 250 M CA 1.104 56.186 55.300 -0.365 0.000 1.119 250 M CB -0.315 32.052 32.600 -0.388 0.000 1.377 250 M HN 0.157 nan 8.290 nan 0.000 0.415 251 Y N 0.424 120.546 120.300 -0.298 0.000 2.181 251 Y HA -0.157 4.394 4.550 0.001 0.000 0.288 251 Y C 2.688 178.432 175.900 -0.260 0.000 1.146 251 Y CA 1.359 59.259 58.100 -0.332 0.000 1.164 251 Y CB -1.079 37.269 38.460 -0.187 0.000 0.982 251 Y HN 0.220 nan 8.280 nan 0.000 0.515 252 A N 0.123 122.928 122.820 -0.025 0.000 1.940 252 A HA -0.217 4.103 4.320 0.001 0.000 0.219 252 A C 2.322 179.884 177.584 -0.036 0.000 1.176 252 A CA 1.849 53.883 52.037 -0.006 0.000 0.631 252 A CB -0.508 18.481 19.000 -0.018 0.000 0.814 252 A HN 0.433 nan 8.150 nan 0.000 0.446 253 R N -0.754 119.526 120.500 -0.367 0.000 2.090 253 R HA 0.058 4.398 4.340 0.001 0.000 0.228 253 R C 2.496 178.838 176.300 0.070 0.000 1.110 253 R CA 1.016 56.864 56.100 -0.419 0.000 0.973 253 R CB -0.402 29.410 30.300 -0.815 0.000 0.869 253 R HN 0.491 nan 8.270 nan 0.000 0.440 254 A N 1.516 124.224 122.820 -0.186 0.000 1.898 254 A HA -0.178 4.142 4.320 0.001 0.000 0.216 254 A C 1.722 179.251 177.584 -0.092 0.000 1.181 254 A CA 1.559 53.365 52.037 -0.384 0.000 0.620 254 A CB -0.636 17.644 19.000 -1.200 0.000 0.819 254 A HN 0.372 nan 8.150 nan 0.000 0.442 255 N N -1.576 117.151 118.700 0.044 0.000 2.166 255 N HA -0.127 4.613 4.740 0.001 0.000 0.186 255 N C 1.501 177.269 175.510 0.430 0.000 1.019 255 N CA 1.335 54.593 53.050 0.346 0.000 0.856 255 N CB -0.227 38.425 38.487 0.273 0.000 0.993 255 N HN 0.469 nan 8.380 nan 0.000 0.426 256 F N 1.893 122.010 119.950 0.278 0.000 2.186 256 F HA 0.045 4.572 4.527 0.001 0.000 0.299 256 F C 2.210 178.237 175.800 0.379 0.000 1.090 256 F CA 0.778 58.973 58.000 0.325 0.000 1.307 256 F CB -0.647 38.600 39.000 0.412 0.000 1.019 256 F HN -0.038 nan 8.300 nan 0.000 0.489 257 A N 0.283 123.369 122.820 0.444 0.000 1.933 257 A HA -0.223 4.097 4.320 0.001 0.000 0.218 257 A C 2.414 180.104 177.584 0.177 0.000 1.175 257 A CA 1.794 53.971 52.037 0.233 0.000 0.628 257 A CB -0.801 18.330 19.000 0.219 0.000 0.814 257 A HN 0.388 nan 8.150 nan 0.000 0.444 258 K N -0.007 120.575 120.400 0.303 0.000 2.025 258 K HA -0.184 4.137 4.320 0.001 0.000 0.207 258 K C 1.859 178.558 176.600 0.164 0.000 1.049 258 K CA 1.712 58.166 56.287 0.279 0.000 0.933 258 K CB -0.274 32.480 32.500 0.423 0.000 0.714 258 K HN 0.638 nan 8.250 nan 0.000 0.438 259 E N 0.732 121.039 120.200 0.178 0.000 2.070 259 E HA -0.197 4.153 4.350 0.001 0.000 0.197 259 E C 1.952 178.571 176.600 0.031 0.000 1.004 259 E CA 1.403 57.877 56.400 0.125 0.000 0.805 259 E CB -0.159 29.662 29.700 0.201 0.000 0.744 259 E HN 0.334 nan 8.360 nan 0.000 0.451 260 L N -0.331 120.853 121.223 -0.065 0.000 2.622 260 L HA 0.058 4.399 4.340 0.001 0.000 0.233 260 L C 1.362 178.213 176.870 -0.031 0.000 1.156 260 L CA 0.458 55.234 54.840 -0.107 0.000 0.866 260 L CB -0.353 41.555 42.059 -0.252 0.000 0.980 260 L HN 0.343 nan 8.230 nan 0.000 0.448 261 G N 0.023 108.831 108.800 0.014 0.000 2.137 261 G HA2 -0.283 3.678 3.960 0.001 0.000 0.237 261 G HA3 -0.283 3.678 3.960 0.001 0.000 0.237 261 G C 0.347 175.274 174.900 0.045 0.000 1.002 261 G CA 0.401 45.520 45.100 0.032 0.000 0.702 261 G HN 0.332 nan 8.290 nan 0.000 0.515 262 S N -1.220 114.510 115.700 0.051 0.000 2.562 262 S HA 0.353 4.823 4.470 0.001 0.000 0.281 262 S C 1.527 176.178 174.600 0.086 0.000 1.333 262 S CA 0.413 58.655 58.200 0.069 0.000 1.052 262 S CB 1.532 64.765 63.200 0.054 0.000 0.884 262 S HN 1.188 nan 8.310 nan 0.000 0.506 263 V N 5.851 125.827 119.914 0.104 0.000 3.406 263 V HA 0.454 4.574 4.120 0.001 0.000 0.263 263 V C 0.435 176.577 176.094 0.080 0.000 1.172 263 V CA 0.863 63.224 62.300 0.103 0.000 1.140 263 V CB -0.729 31.182 31.823 0.147 0.000 0.784 263 V HN 0.751 nan 8.190 nan 0.000 0.467 264 I N -0.290 120.320 120.570 0.067 0.000 3.066 264 I HA 0.469 4.639 4.170 0.001 0.000 0.307 264 I C -1.580 174.522 176.117 -0.026 0.000 1.366 264 I CA -0.975 60.306 61.300 -0.033 0.000 0.972 264 I CB 2.342 40.249 38.000 -0.154 0.000 1.307 264 I HN 0.152 nan 8.210 nan 0.000 0.470 265 I N 2.484 122.999 120.570 -0.093 0.000 3.181 265 I HA 0.636 4.807 4.170 0.001 0.000 0.311 265 I C -1.547 174.502 176.117 -0.112 0.000 1.287 265 I CA -0.953 60.316 61.300 -0.052 0.000 0.958 265 I CB 2.299 40.310 38.000 0.019 0.000 1.294 265 I HN 0.724 nan 8.210 nan 0.000 0.467 266 M N 2.952 122.537 119.600 -0.024 0.000 2.631 266 M HA 0.825 5.306 4.480 0.001 0.000 0.288 266 M C -1.621 174.700 176.300 0.035 0.000 1.260 266 M CA -0.770 54.548 55.300 0.031 0.000 0.842 266 M CB 2.883 35.605 32.600 0.204 0.000 1.743 266 M HN 0.741 nan 8.290 nan 0.000 0.461 267 I N -1.554 119.040 120.570 0.040 0.000 2.894 267 I HA 0.675 4.845 4.170 0.001 0.000 0.302 267 I C -1.559 174.586 176.117 0.047 0.000 1.188 267 I CA -0.834 60.472 61.300 0.010 0.000 1.014 267 I CB 2.294 40.277 38.000 -0.029 0.000 1.242 267 I HN 0.580 nan 8.210 nan 0.000 0.430 271 V N 2.163 122.083 119.914 0.010 0.000 3.026 271 V HA -0.164 3.956 4.120 0.001 0.000 0.265 271 V C 2.279 178.339 176.094 -0.056 0.000 1.121 271 V CA 2.063 64.349 62.300 -0.025 0.000 1.142 271 V CB -0.486 31.322 31.823 -0.024 0.000 0.730 271 V HN 0.545 nan 8.190 nan 0.000 0.503 272 I N -1.654 118.883 120.570 -0.056 0.000 2.761 272 I HA 0.420 4.591 4.170 0.001 0.000 0.261 272 I C 0.997 177.058 176.117 -0.092 0.000 1.198 272 I CA 0.881 62.136 61.300 -0.076 0.000 1.482 272 I CB -0.509 37.443 38.000 -0.080 0.000 1.100 272 I HN 0.290 nan 8.210 nan 0.000 0.445 273 G N 0.060 108.793 108.800 -0.112 0.000 2.617 273 G HA2 -0.198 3.762 3.960 0.001 0.000 0.686 273 G HA3 -0.198 3.762 3.960 0.001 0.000 0.686 273 G C -0.362 174.492 174.900 -0.077 0.000 1.214 273 G CA -0.204 44.784 45.100 -0.187 0.000 0.796 273 G HN 0.110 nan 8.290 nan 0.000 0.654 274 Y N 0.650 120.938 120.300 -0.019 0.000 2.151 274 Y HA -0.132 4.418 4.550 0.001 0.000 0.284 274 Y C 3.327 179.210 175.900 -0.029 0.000 1.166 274 Y CA 2.422 60.507 58.100 -0.024 0.000 1.163 274 Y CB -1.171 37.252 38.460 -0.062 0.000 0.974 274 Y HN 0.644 nan 8.280 nan 0.000 0.511 275 T N -0.029 114.591 114.554 0.110 0.000 2.708 275 T HA -0.164 4.186 4.350 0.001 0.000 0.266 275 T C 2.253 176.959 174.700 0.009 0.000 1.037 275 T CA 1.473 63.600 62.100 0.046 0.000 1.146 275 T CB -0.661 68.216 68.868 0.015 0.000 0.865 275 T HN 0.428 nan 8.240 nan 0.000 0.435 276 A N 1.050 123.856 122.820 -0.022 0.000 1.898 276 A HA 0.018 4.339 4.320 0.001 0.000 0.216 276 A C 2.299 179.854 177.584 -0.048 0.000 1.181 276 A CA 1.049 53.043 52.037 -0.072 0.000 0.620 276 A CB -0.781 18.157 19.000 -0.103 0.000 0.819 276 A HN 0.502 nan 8.150 nan 0.000 0.442 277 I N -0.553 120.019 120.570 0.005 0.000 2.127 277 I HA -0.346 3.824 4.170 0.001 0.000 0.241 277 I C 2.820 178.961 176.117 0.040 0.000 1.075 277 I CA 1.740 63.059 61.300 0.032 0.000 1.334 277 I CB -0.434 37.624 38.000 0.096 0.000 1.040 277 I HN 0.450 nan 8.210 nan 0.000 0.405 278 Q N -0.188 119.646 119.800 0.055 0.000 2.170 278 Q HA -0.169 4.172 4.340 0.001 0.000 0.203 278 Q C 2.179 178.207 176.000 0.048 0.000 0.976 278 Q CA 1.911 57.746 55.803 0.053 0.000 0.858 278 Q CB -0.102 28.665 28.738 0.048 0.000 0.907 278 Q HN 0.533 nan 8.270 nan 0.000 0.433 279 T N 0.508 115.079 114.554 0.028 0.000 2.812 279 T HA -0.080 4.271 4.350 0.001 0.000 0.264 279 T C 1.729 176.477 174.700 0.080 0.000 1.042 279 T CA 0.810 62.936 62.100 0.043 0.000 1.140 279 T CB 0.015 68.867 68.868 -0.027 0.000 0.870 279 T HN 0.149 nan 8.240 nan 0.000 0.445 280 M N 1.207 120.817 119.600 0.017 0.000 2.175 280 M HA 0.162 4.642 4.480 0.001 0.000 0.264 280 M C 2.761 179.165 176.300 0.172 0.000 1.063 280 M CA 0.906 56.247 55.300 0.068 0.000 1.119 280 M CB -1.498 31.082 32.600 -0.034 0.000 1.377 280 M HN 0.297 nan 8.290 nan 0.000 0.415 281 A N -0.031 122.850 122.820 0.102 0.000 1.902 281 A HA -0.182 4.139 4.320 0.001 0.000 0.217 281 A C 2.357 180.002 177.584 0.102 0.000 1.181 281 A CA 1.641 53.730 52.037 0.086 0.000 0.623 281 A CB -0.552 18.482 19.000 0.056 0.000 0.818 281 A HN 0.327 nan 8.150 nan 0.000 0.443 282 K N -1.312 119.159 120.400 0.117 0.000 2.057 282 K HA -0.189 4.131 4.320 0.001 0.000 0.206 282 K C 1.831 178.519 176.600 0.145 0.000 1.050 282 K CA 1.583 57.933 56.287 0.105 0.000 0.935 282 K CB -0.439 32.125 32.500 0.106 0.000 0.715 282 K HN 0.673 nan 8.250 nan 0.000 0.439 283 W N 1.458 122.801 121.300 0.072 0.000 2.355 283 W HA -0.222 4.439 4.660 0.001 0.000 0.309 283 W C 2.056 178.609 176.519 0.058 0.000 1.206 283 W CA 2.802 60.211 57.345 0.107 0.000 1.284 283 W CB -0.499 29.073 29.460 0.186 0.000 1.145 283 W HN 0.157 nan 8.180 nan 0.000 0.502 284 A N 0.684 123.643 122.820 0.231 0.000 1.892 284 A HA -0.281 4.039 4.320 0.001 0.000 0.218 284 A C 1.956 179.452 177.584 -0.147 0.000 1.188 284 A CA 2.454 54.504 52.037 0.023 0.000 0.631 284 A CB -1.030 18.045 19.000 0.125 0.000 0.822 284 A HN 0.345 nan 8.150 nan 0.000 0.447 285 R N 0.376 120.829 120.500 -0.079 0.000 2.091 285 R HA -0.132 4.208 4.340 0.001 0.000 0.238 285 R C 0.986 177.200 176.300 -0.144 0.000 1.136 285 R CA 2.135 58.182 56.100 -0.087 0.000 0.959 285 R CB -0.696 29.579 30.300 -0.042 0.000 0.856 285 R HN 0.472 nan 8.270 nan 0.000 0.437 286 D N -0.387 119.893 120.400 -0.200 0.000 2.347 286 D HA -0.010 4.631 4.640 0.001 0.000 0.215 286 D C 0.098 176.190 176.300 -0.347 0.000 0.976 286 D CA 0.739 54.599 54.000 -0.233 0.000 0.884 286 D CB 0.050 40.724 40.800 -0.209 0.000 0.915 286 D HN 0.302 nan 8.370 nan 0.000 0.526 287 N N 1.175 119.564 118.700 -0.518 0.000 2.365 287 N HA -0.012 4.729 4.740 0.001 0.000 0.257 287 N C -0.847 174.448 175.510 -0.357 0.000 1.287 287 N CA -0.068 52.640 53.050 -0.570 0.000 0.882 287 N CB 1.011 38.782 38.487 -1.194 0.000 1.250 287 N HN 0.014 nan 8.380 nan 0.000 0.507 288 D N 1.035 121.299 120.400 -0.226 0.000 2.720 288 D HA -0.227 4.414 4.640 0.001 0.000 0.229 288 D C -0.088 176.155 176.300 -0.094 0.000 1.198 288 D CA 0.844 54.770 54.000 -0.124 0.000 0.639 288 D CB -0.757 39.993 40.800 -0.083 0.000 1.003 288 D HN 0.316 nan 8.370 nan 0.000 0.411 289 M N 0.375 119.912 119.600 -0.106 0.000 2.393 289 M HA 0.432 4.913 4.480 0.001 0.000 0.316 289 M C -0.780 175.506 176.300 -0.022 0.000 1.087 289 M CA -0.657 54.631 55.300 -0.021 0.000 0.937 289 M CB 1.703 34.347 32.600 0.073 0.000 1.668 289 M HN 0.040 nan 8.290 nan 0.000 0.438 290 I N 4.711 125.253 120.570 -0.048 0.000 2.441 290 I HA 0.183 4.353 4.170 0.001 0.000 0.287 290 I C -0.770 175.226 176.117 -0.202 0.000 1.049 290 I CA -0.550 60.662 61.300 -0.146 0.000 1.381 290 I CB 0.708 38.580 38.000 -0.214 0.000 1.409 290 I HN 0.524 nan 8.210 nan 0.000 0.523 291 L N 8.000 129.097 121.223 -0.210 0.000 2.283 291 L HA 0.334 4.674 4.340 0.001 0.000 0.281 291 L C -0.372 176.319 176.870 -0.298 0.000 1.033 291 L CA -0.254 54.479 54.840 -0.179 0.000 0.848 291 L CB 0.345 42.369 42.059 -0.058 0.000 1.226 291 L HN 0.479 nan 8.230 nan 0.000 0.429 292 H N 3.999 122.767 119.070 -0.503 0.000 2.548 292 H HA 0.550 5.107 4.556 0.001 0.000 0.331 292 H C -1.198 174.027 175.328 -0.173 0.000 1.093 292 H CA -0.332 55.416 56.048 -0.499 0.000 1.367 292 H CB 1.279 30.494 29.762 -0.911 0.000 1.455 292 H HN 0.629 nan 8.280 nan 0.000 0.519 293 L N 6.055 126.901 121.223 -0.628 0.000 2.313 293 L HA 0.255 4.595 4.340 0.001 0.000 0.283 293 L C -1.279 175.439 176.870 -0.254 0.000 1.013 293 L CA -0.580 54.081 54.840 -0.299 0.000 0.816 293 L CB 0.976 42.958 42.059 -0.128 0.000 1.236 293 L HN 0.780 nan 8.230 nan 0.000 0.419 294 H N 4.459 123.495 119.070 -0.057 0.000 2.552 294 H HA 0.285 4.842 4.556 0.001 0.000 0.311 294 H C 0.141 175.450 175.328 -0.031 0.000 1.071 294 H CA -0.578 55.499 56.048 0.049 0.000 1.307 294 H CB 1.065 30.864 29.762 0.060 0.000 1.416 294 H HN 0.796 nan 8.280 nan 0.000 0.464 295 R N 3.471 123.858 120.500 -0.189 0.000 2.858 295 R HA 0.270 4.611 4.340 0.001 0.000 0.228 295 R C 0.342 176.648 176.300 0.010 0.000 1.471 295 R CA 0.090 56.169 56.100 -0.035 0.000 1.342 295 R CB -0.678 29.578 30.300 -0.073 0.000 1.152 295 R HN 0.419 nan 8.270 nan 0.000 0.521 296 A N 0.962 123.945 122.820 0.271 0.000 2.591 296 A HA 0.313 4.634 4.320 0.001 0.000 0.244 296 A C 1.686 179.292 177.584 0.037 0.000 1.031 296 A CA 0.732 52.877 52.037 0.181 0.000 0.767 296 A CB -0.649 18.406 19.000 0.092 0.000 0.942 296 A HN 0.894 nan 8.150 nan 0.000 0.514 297 G N 2.326 111.111 108.800 -0.025 0.000 2.184 297 G HA2 -0.401 3.560 3.960 0.001 0.000 0.264 297 G HA3 -0.401 3.560 3.960 0.001 0.000 0.264 297 G C 0.978 175.767 174.900 -0.185 0.000 0.975 297 G CA 1.246 46.305 45.100 -0.068 0.000 0.642 297 G HN 1.220 nan 8.290 nan 0.000 0.536 298 N N 0.906 119.471 118.700 -0.226 0.000 2.104 298 N HA -0.067 4.674 4.740 0.001 0.000 0.190 298 N C 2.161 177.195 175.510 -0.793 0.000 1.024 298 N CA 2.265 55.023 53.050 -0.486 0.000 0.853 298 N CB -0.356 38.007 38.487 -0.206 0.000 1.008 298 N HN 0.348 nan 8.380 nan 0.000 0.424 299 S N -1.348 114.087 115.700 -0.441 0.000 2.547 299 S HA -0.068 4.402 4.470 0.001 0.000 0.235 299 S C 1.596 176.021 174.600 -0.292 0.000 0.980 299 S CA 0.841 58.841 58.200 -0.334 0.000 0.941 299 S CB -0.475 62.595 63.200 -0.217 0.000 0.763 299 S HN 0.442 nan 8.310 nan 0.000 0.532 300 T N 0.957 115.305 114.554 -0.343 0.000 3.007 300 T HA -0.079 4.271 4.350 0.001 0.000 0.270 300 T C 0.941 175.608 174.700 -0.055 0.000 1.107 300 T CA 1.072 63.077 62.100 -0.158 0.000 1.118 300 T CB -0.131 68.689 68.868 -0.080 0.000 0.889 300 T HN 0.816 nan 8.240 nan 0.000 0.506 301 Y N -1.943 118.376 120.300 0.033 0.000 2.729 301 Y HA 0.459 5.009 4.550 0.001 0.000 0.266 301 Y C 1.683 177.614 175.900 0.052 0.000 1.064 301 Y CA -0.060 58.068 58.100 0.047 0.000 1.251 301 Y CB -0.255 38.217 38.460 0.019 0.000 1.379 301 Y HN 0.130 nan 8.280 nan 0.000 0.569 302 S N -0.863 114.807 115.700 -0.050 0.000 2.523 302 S HA 0.225 4.695 4.470 0.001 0.000 0.217 302 S C 1.690 176.325 174.600 0.057 0.000 0.996 302 S CA 0.067 58.319 58.200 0.086 0.000 0.921 302 S CB 0.234 63.452 63.200 0.031 0.000 0.829 302 S HN 0.230 nan 8.310 nan 0.000 0.495 303 R N 1.887 122.391 120.500 0.007 0.000 2.055 303 R HA 0.182 4.522 4.340 0.001 0.000 0.228 303 R C 0.512 176.852 176.300 0.065 0.000 1.143 303 R CA 1.436 57.546 56.100 0.017 0.000 0.945 303 R CB -0.645 29.643 30.300 -0.020 0.000 0.841 303 R HN 0.324 nan 8.270 nan 0.000 0.429 304 Q N 0.837 120.689 119.800 0.087 0.000 2.373 304 Q HA 0.009 4.350 4.340 0.001 0.000 0.255 304 Q C 0.258 176.338 176.000 0.134 0.000 0.980 304 Q CA 0.360 56.226 55.803 0.106 0.000 0.882 304 Q CB 0.988 29.797 28.738 0.118 0.000 1.249 304 Q HN 0.246 nan 8.270 nan 0.000 0.438 305 K N 1.816 122.290 120.400 0.122 0.000 2.426 305 K HA -0.040 4.280 4.320 0.001 0.000 0.193 305 K C 0.949 177.634 176.600 0.142 0.000 1.028 305 K CA 0.552 56.920 56.287 0.135 0.000 1.047 305 K CB 0.425 32.992 32.500 0.113 0.000 0.821 305 K HN 0.548 nan 8.250 nan 0.000 0.513 306 N N -1.014 117.775 118.700 0.149 0.000 2.415 306 N HA -0.080 4.661 4.740 0.001 0.000 0.174 306 N C -0.113 175.544 175.510 0.245 0.000 1.048 306 N CA 0.438 53.584 53.050 0.159 0.000 0.895 306 N CB 0.136 38.702 38.487 0.132 0.000 1.036 306 N HN 0.129 nan 8.380 nan 0.000 0.449 307 H N -1.375 117.792 119.070 0.160 0.000 2.961 307 H HA 0.590 5.146 4.556 0.001 0.000 0.371 307 H C 0.229 175.705 175.328 0.246 0.000 1.190 307 H CA 0.574 56.755 56.048 0.222 0.000 1.138 307 H CB 1.769 31.646 29.762 0.191 0.000 1.816 307 H HN 0.357 nan 8.280 nan 0.000 0.551 308 G N 1.617 110.379 108.800 -0.064 0.000 2.384 308 G HA2 -0.079 3.882 3.960 0.001 0.000 0.200 308 G HA3 -0.079 3.882 3.960 0.001 0.000 0.200 308 G C -1.302 173.643 174.900 0.076 0.000 1.205 308 G CA -0.282 44.859 45.100 0.068 0.000 1.116 308 G HN 0.637 nan 8.290 nan 0.000 0.547 309 M N 1.043 120.725 119.600 0.137 0.000 2.393 309 M HA 0.369 4.850 4.480 0.001 0.000 0.299 309 M C -0.338 176.057 176.300 0.158 0.000 1.103 309 M CA -0.780 54.562 55.300 0.069 0.000 0.910 309 M CB 2.220 34.740 32.600 -0.133 0.000 1.659 309 M HN 0.601 nan 8.290 nan 0.000 0.445 310 N N 1.442 120.187 118.700 0.075 0.000 2.514 310 N HA 0.090 4.830 4.740 0.001 0.000 0.277 310 N C 0.309 175.844 175.510 0.041 0.000 1.126 310 N CA 0.096 53.221 53.050 0.125 0.000 0.978 310 N CB 0.920 39.493 38.487 0.144 0.000 1.106 310 N HN 0.670 nan 8.380 nan 0.000 0.461 311 F N 4.905 124.769 119.950 -0.144 0.000 2.236 311 F HA -0.189 4.338 4.527 0.001 0.000 0.302 311 F C 2.400 177.887 175.800 -0.522 0.000 1.073 311 F CA 1.526 59.279 58.000 -0.410 0.000 1.336 311 F CB -0.005 38.548 39.000 -0.746 0.000 1.040 311 F HN 0.700 nan 8.300 nan 0.000 0.507 312 R N -0.322 119.963 120.500 -0.358 0.000 2.127 312 R HA -0.124 4.217 4.340 0.001 0.000 0.238 312 R C 1.736 177.819 176.300 -0.362 0.000 1.134 312 R CA 1.971 57.955 56.100 -0.194 0.000 0.975 312 R CB -1.200 29.252 30.300 0.253 0.000 0.865 312 R HN 0.281 nan 8.270 nan 0.000 0.447 313 V N 1.509 121.153 119.914 -0.450 0.000 2.379 313 V HA -0.169 3.951 4.120 0.001 0.000 0.245 313 V C 2.469 177.931 176.094 -1.053 0.000 1.044 313 V CA 1.167 63.023 62.300 -0.740 0.000 1.036 313 V CB -0.317 31.007 31.823 -0.832 0.000 0.664 313 V HN 0.277 nan 8.190 nan 0.000 0.453 314 I N -0.224 119.838 120.570 -0.846 0.000 2.286 314 I HA -0.236 3.934 4.170 0.001 0.000 0.248 314 I C 2.595 178.372 176.117 -0.566 0.000 1.115 314 I CA 1.377 62.312 61.300 -0.609 0.000 1.392 314 I CB -1.602 36.194 38.000 -0.340 0.000 1.065 314 I HN 0.372 nan 8.210 nan 0.000 0.418 315 C N 0.883 119.708 119.300 -0.790 0.000 2.429 315 C HA -0.144 4.317 4.460 0.001 0.000 0.277 315 C C 2.797 177.654 174.990 -0.221 0.000 1.262 315 C CA 0.614 59.300 59.018 -0.554 0.000 1.733 315 C CB -0.855 26.568 27.740 -0.528 0.000 2.010 315 C HN 0.472 nan 8.230 nan 0.000 0.483 316 K N -0.480 119.802 120.400 -0.197 0.000 2.057 316 K HA -0.150 4.171 4.320 0.001 0.000 0.207 316 K C 1.977 178.643 176.600 0.110 0.000 1.049 316 K CA 1.493 57.817 56.287 0.062 0.000 0.931 316 K CB -0.209 32.207 32.500 -0.141 0.000 0.714 316 K HN 0.540 nan 8.250 nan 0.000 0.440 317 W N 0.638 121.832 121.300 -0.177 0.000 2.381 317 W HA -0.059 4.602 4.660 0.001 0.000 0.301 317 W C 1.952 178.359 176.519 -0.185 0.000 1.205 317 W CA 0.567 57.761 57.345 -0.250 0.000 1.285 317 W CB -0.645 28.602 29.460 -0.355 0.000 1.133 317 W HN 0.066 nan 8.180 nan 0.000 0.521 318 M N -0.329 119.317 119.600 0.077 0.000 2.319 318 M HA -0.066 4.415 4.480 0.001 0.000 0.265 318 M C 1.994 178.282 176.300 -0.019 0.000 1.068 318 M CA 1.050 56.365 55.300 0.025 0.000 1.118 318 M CB -1.201 31.396 32.600 -0.005 0.000 1.395 318 M HN -0.016 nan 8.290 nan 0.000 0.435 319 R N 0.032 120.506 120.500 -0.043 0.000 2.073 319 R HA 0.010 4.351 4.340 0.001 0.000 0.229 319 R C 2.029 178.295 176.300 -0.057 0.000 1.120 319 R CA 1.142 57.159 56.100 -0.139 0.000 0.967 319 R CB -0.152 29.950 30.300 -0.331 0.000 0.862 319 R HN 0.362 nan 8.270 nan 0.000 0.436 320 M N -0.407 119.219 119.600 0.043 0.000 2.099 320 M HA -0.090 4.390 4.480 0.001 0.000 0.262 320 M C 2.462 178.836 176.300 0.123 0.000 1.067 320 M CA 1.797 57.106 55.300 0.015 0.000 1.124 320 M CB -0.353 32.042 32.600 -0.343 0.000 1.353 320 M HN 0.128 nan 8.290 nan 0.000 0.410 321 A N 0.152 123.028 122.820 0.093 0.000 1.948 321 A HA -0.001 4.320 4.320 0.001 0.000 0.220 321 A C 1.777 179.411 177.584 0.082 0.000 1.177 321 A CA 1.762 53.867 52.037 0.114 0.000 0.636 321 A CB -1.133 17.912 19.000 0.074 0.000 0.815 321 A HN 0.753 nan 8.150 nan 0.000 0.449 322 G N -2.470 106.353 108.800 0.038 0.000 2.181 322 G HA2 -0.016 3.944 3.960 0.001 0.000 0.152 322 G HA3 -0.016 3.944 3.960 0.001 0.000 0.152 322 G C -0.034 174.860 174.900 -0.009 0.000 1.026 322 G CA -0.029 45.078 45.100 0.013 0.000 0.699 322 G HN 0.818 nan 8.290 nan 0.000 0.497 323 V N 0.215 120.113 119.914 -0.026 0.000 2.834 323 V HA 0.421 4.541 4.120 0.001 0.000 0.301 323 V C 1.036 177.089 176.094 -0.069 0.000 1.066 323 V CA 0.279 62.551 62.300 -0.047 0.000 1.052 323 V CB 1.526 33.321 31.823 -0.045 0.000 1.021 323 V HN 0.305 nan 8.190 nan 0.000 0.480 324 D N 0.484 120.829 120.400 -0.091 0.000 2.324 324 D HA 0.159 4.799 4.640 0.001 0.000 0.212 324 D C 0.424 176.776 176.300 0.087 0.000 0.984 324 D CA 0.851 54.814 54.000 -0.061 0.000 0.885 324 D CB 0.330 41.040 40.800 -0.149 0.000 0.996 324 D HN 0.683 nan 8.370 nan 0.000 0.505 325 H N -0.879 118.093 119.070 -0.163 0.000 2.865 325 H HA 0.667 5.223 4.556 0.001 0.000 0.372 325 H C -0.865 174.300 175.328 -0.271 0.000 1.173 325 H CA -0.892 55.051 56.048 -0.174 0.000 1.147 325 H CB 3.245 32.985 29.762 -0.037 0.000 1.805 325 H HN -0.171 nan 8.280 nan 0.000 0.553 326 I N 1.308 121.810 120.570 -0.112 0.000 2.735 326 I HA 0.036 4.206 4.170 0.001 0.000 0.287 326 I C -0.940 175.131 176.117 -0.076 0.000 1.452 326 I CA -0.491 60.746 61.300 -0.106 0.000 1.061 326 I CB 1.535 39.523 38.000 -0.021 0.000 1.383 326 I HN 0.726 nan 8.210 nan 0.000 0.425 327 H N 6.926 125.937 119.070 -0.099 0.000 3.226 327 H HA 0.113 4.669 4.556 0.001 0.000 0.260 327 H C 0.591 175.862 175.328 -0.094 0.000 0.967 327 H CA 0.700 56.677 56.048 -0.118 0.000 1.435 327 H CB 0.948 30.559 29.762 -0.250 0.000 1.533 327 H HN 0.659 nan 8.280 nan 0.000 0.525 328 A N 3.528 126.355 122.820 0.011 0.000 2.387 328 A HA 0.366 4.687 4.320 0.001 0.000 0.234 328 A C 1.345 179.063 177.584 0.222 0.000 1.253 328 A CA 0.319 52.439 52.037 0.139 0.000 0.894 328 A CB 0.245 19.166 19.000 -0.133 0.000 0.963 328 A HN 0.943 nan 8.150 nan 0.000 0.508 329 G N -0.687 108.165 108.800 0.087 0.000 2.814 329 G HA2 0.142 4.102 3.960 0.001 0.000 0.677 329 G HA3 0.142 4.102 3.960 0.001 0.000 0.677 329 G C 0.040 175.031 174.900 0.152 0.000 1.429 329 G CA 0.041 45.191 45.100 0.083 0.000 0.868 329 G HN 1.604 nan 8.290 nan 0.000 0.553 330 T N -3.254 111.326 114.554 0.043 0.000 2.841 330 T HA 0.786 5.137 4.350 0.001 0.000 0.276 330 T C 1.100 175.777 174.700 -0.039 0.000 1.003 330 T CA 0.496 62.604 62.100 0.013 0.000 0.995 330 T CB 1.906 70.758 68.868 -0.026 0.000 1.260 330 T HN 1.315 nan 8.240 nan 0.000 0.581 331 V N 0.211 120.085 119.914 -0.067 0.000 2.911 331 V HA 0.116 4.237 4.120 0.001 0.000 0.237 331 V C 2.349 178.412 176.094 -0.052 0.000 1.156 331 V CA 0.788 63.003 62.300 -0.143 0.000 1.180 331 V CB 0.500 32.082 31.823 -0.402 0.000 0.932 331 V HN 0.868 nan 8.190 nan 0.000 0.483 332 V N -0.502 119.426 119.914 0.024 0.000 3.646 332 V HA 0.486 4.606 4.120 0.001 0.000 0.277 332 V C 1.027 177.209 176.094 0.146 0.000 1.274 332 V CA 0.543 62.902 62.300 0.099 0.000 1.164 332 V CB -0.977 30.917 31.823 0.119 0.000 0.926 332 V HN 0.283 nan 8.190 nan 0.000 0.442 333 G N 1.532 110.353 108.800 0.035 0.000 2.516 333 G HA2 0.258 4.219 3.960 0.001 0.000 0.276 333 G HA3 0.258 4.219 3.960 0.001 0.000 0.276 333 G C 0.672 175.336 174.900 -0.393 0.000 1.390 333 G CA -0.049 45.013 45.100 -0.064 0.000 1.050 333 G HN 0.587 nan 8.290 nan 0.000 0.519 334 K N -1.323 118.580 120.400 -0.829 0.000 2.444 334 K HA 0.216 4.537 4.320 0.001 0.000 0.193 334 K C -0.003 176.272 176.600 -0.542 0.000 1.024 334 K CA -0.042 55.490 56.287 -1.259 0.000 1.077 334 K CB 0.033 31.804 32.500 -1.216 0.000 0.833 334 K HN 0.046 nan 8.250 nan 0.000 0.517 335 L N 2.199 123.221 121.223 -0.334 0.000 2.334 335 L HA 0.316 4.657 4.340 0.001 0.000 0.273 335 L C -0.086 176.697 176.870 -0.144 0.000 1.013 335 L CA -1.042 53.668 54.840 -0.217 0.000 0.816 335 L CB 1.283 43.231 42.059 -0.186 0.000 1.278 335 L HN 0.163 nan 8.230 nan 0.000 0.431 336 E N 1.354 121.484 120.200 -0.117 0.000 2.653 336 E HA 0.308 4.659 4.350 0.001 0.000 0.264 336 E C 0.067 176.642 176.600 -0.043 0.000 0.949 336 E CA 0.874 57.236 56.400 -0.064 0.000 0.953 336 E CB 0.349 30.016 29.700 -0.055 0.000 0.925 336 E HN 0.724 nan 8.360 nan 0.000 0.475 337 G N 4.119 112.903 108.800 -0.026 0.000 3.288 337 G HA2 0.108 4.068 3.960 0.001 0.000 0.285 337 G HA3 0.108 4.068 3.960 0.001 0.000 0.285 337 G C -1.316 173.533 174.900 -0.084 0.000 3.680 337 G CA -0.559 44.523 45.100 -0.030 0.000 0.508 337 G HN 0.648 nan 8.290 nan 0.000 0.300 338 D N 3.283 123.634 120.400 -0.082 0.000 2.425 338 D HA 0.306 4.947 4.640 0.001 0.000 0.247 338 D C 0.076 176.247 176.300 -0.216 0.000 1.147 338 D CA -1.296 52.629 54.000 -0.124 0.000 0.879 338 D CB 1.918 42.667 40.800 -0.085 0.000 1.179 338 D HN 0.149 nan 8.370 nan 0.000 0.456 339 P HA -0.219 nan 4.420 nan 0.000 0.214 339 P C 1.541 178.676 177.300 -0.274 0.000 1.163 339 P CA 1.408 64.271 63.100 -0.394 0.000 0.889 339 P CB 0.173 31.578 31.700 -0.492 0.000 0.790 340 I N -0.928 119.527 120.570 -0.192 0.000 2.353 340 I HA -0.158 4.012 4.170 0.001 0.000 0.248 340 I C 2.520 178.503 176.117 -0.224 0.000 1.119 340 I CA 0.891 62.096 61.300 -0.159 0.000 1.417 340 I CB -0.496 37.446 38.000 -0.097 0.000 1.078 340 I HN -0.159 nan 8.210 nan 0.000 0.421 341 I N 0.727 121.135 120.570 -0.269 0.000 2.315 341 I HA -0.208 3.962 4.170 0.001 0.000 0.248 341 I C 2.565 178.175 176.117 -0.845 0.000 1.117 341 I CA 1.676 62.720 61.300 -0.426 0.000 1.404 341 I CB -1.636 36.179 38.000 -0.309 0.000 1.071 341 I HN 0.228 nan 8.210 nan 0.000 0.419 342 T N 0.660 114.843 114.554 -0.618 0.000 2.746 342 T HA -0.187 4.163 4.350 0.001 0.000 0.267 342 T C 2.055 176.596 174.700 -0.264 0.000 1.039 342 T CA 1.124 62.927 62.100 -0.495 0.000 1.142 342 T CB -0.273 68.459 68.868 -0.226 0.000 0.866 342 T HN 0.287 nan 8.240 nan 0.000 0.444 343 R N 0.850 121.194 120.500 -0.260 0.000 2.105 343 R HA -0.098 4.243 4.340 0.001 0.000 0.239 343 R C 2.632 178.919 176.300 -0.021 0.000 1.135 343 R CA 1.634 57.648 56.100 -0.142 0.000 0.967 343 R CB -0.744 29.477 30.300 -0.132 0.000 0.861 343 R HN 0.463 nan 8.270 nan 0.000 0.442 344 G N 0.221 108.951 108.800 -0.118 0.000 2.418 344 G HA2 -0.234 3.726 3.960 0.001 0.000 0.217 344 G HA3 -0.234 3.726 3.960 0.001 0.000 0.217 344 G C 1.406 176.429 174.900 0.205 0.000 1.158 344 G CA 0.640 45.735 45.100 -0.008 0.000 0.771 344 G HN 0.343 nan 8.290 nan 0.000 0.545 345 F N -0.556 119.502 119.950 0.180 0.000 2.069 345 F HA -0.121 4.407 4.527 0.001 0.000 0.298 345 F C 2.623 178.534 175.800 0.184 0.000 1.113 345 F CA 0.783 58.899 58.000 0.194 0.000 1.214 345 F CB -0.417 38.783 39.000 0.333 0.000 0.978 345 F HN 0.038 nan 8.300 nan 0.000 0.474 346 Y N 0.900 121.339 120.300 0.231 0.000 2.165 346 Y HA -0.229 4.322 4.550 0.001 0.000 0.286 346 Y C 2.292 178.240 175.900 0.080 0.000 1.155 346 Y CA 1.209 59.382 58.100 0.121 0.000 1.164 346 Y CB -0.806 37.699 38.460 0.075 0.000 0.978 346 Y HN -0.034 nan 8.280 nan 0.000 0.513 347 K N -0.800 119.746 120.400 0.244 0.000 2.057 347 K HA -0.153 4.168 4.320 0.001 0.000 0.207 347 K C 2.006 178.706 176.600 0.167 0.000 1.049 347 K CA 1.912 58.297 56.287 0.162 0.000 0.931 347 K CB -0.508 32.069 32.500 0.128 0.000 0.714 347 K HN 0.243 nan 8.250 nan 0.000 0.440 348 T N 1.988 116.665 114.554 0.205 0.000 2.759 348 T HA -0.117 4.234 4.350 0.001 0.000 0.269 348 T C 1.836 176.617 174.700 0.134 0.000 1.042 348 T CA 1.125 63.390 62.100 0.275 0.000 1.140 348 T CB -0.118 68.889 68.868 0.233 0.000 0.864 348 T HN 0.122 nan 8.240 nan 0.000 0.455 349 L N -0.282 120.936 121.223 -0.009 0.000 2.162 349 L HA 0.064 4.405 4.340 0.001 0.000 0.205 349 L C 2.093 178.823 176.870 -0.233 0.000 1.086 349 L CA 0.495 55.227 54.840 -0.179 0.000 0.778 349 L CB -0.236 41.723 42.059 -0.166 0.000 0.928 349 L HN 0.202 nan 8.230 nan 0.000 0.446 350 L N -0.968 120.187 121.223 -0.113 0.000 2.286 350 L HA 0.160 4.501 4.340 0.001 0.000 0.203 350 L C 0.816 177.641 176.870 -0.076 0.000 1.068 350 L CA 0.545 55.331 54.840 -0.090 0.000 0.811 350 L CB -0.625 41.431 42.059 -0.004 0.000 0.989 350 L HN 0.071 nan 8.230 nan 0.000 0.467 351 L N 1.991 123.211 121.223 -0.005 0.000 2.461 351 L HA 0.093 4.434 4.340 0.001 0.000 0.272 351 L C -1.214 175.703 176.870 0.079 0.000 1.197 351 L CA -0.421 54.453 54.840 0.056 0.000 0.836 351 L CB -0.187 41.945 42.059 0.121 0.000 1.105 351 L HN 0.028 nan 8.230 nan 0.000 0.477 352 P HA 0.009 nan 4.420 nan 0.000 0.257 352 P C -0.485 176.966 177.300 0.253 0.000 1.281 352 P CA 0.253 63.446 63.100 0.155 0.000 0.826 352 P CB 0.421 32.174 31.700 0.088 0.000 1.237 353 K N 0.380 120.933 120.400 0.255 0.000 2.575 353 K HA 0.254 4.574 4.320 0.001 0.000 0.271 353 K C -1.748 174.944 176.600 0.153 0.000 1.013 353 K CA -0.653 55.744 56.287 0.183 0.000 0.939 353 K CB 1.047 33.610 32.500 0.105 0.000 1.328 353 K HN -0.271 nan 8.250 nan 0.000 0.450 354 L N 3.379 124.675 121.223 0.121 0.000 2.326 354 L HA 0.410 4.750 4.340 0.001 0.000 0.278 354 L C 0.122 177.023 176.870 0.051 0.000 1.092 354 L CA 0.136 55.033 54.840 0.094 0.000 0.810 354 L CB 1.209 43.316 42.059 0.080 0.000 1.153 354 L HN 0.601 nan 8.230 nan 0.000 0.439 355 E N 2.939 123.163 120.200 0.041 0.000 2.158 355 E HA 0.264 4.615 4.350 0.001 0.000 0.271 355 E C -0.356 176.239 176.600 -0.009 0.000 0.911 355 E CA -0.949 55.461 56.400 0.018 0.000 0.767 355 E CB 1.906 31.613 29.700 0.011 0.000 1.120 355 E HN 0.353 nan 8.360 nan 0.000 0.405 356 R N 2.901 123.391 120.500 -0.017 0.000 2.500 356 R HA -0.100 4.241 4.340 0.001 0.000 0.281 356 R C -0.294 175.930 176.300 -0.127 0.000 0.953 356 R CA 0.706 56.761 56.100 -0.075 0.000 1.108 356 R CB 0.221 30.480 30.300 -0.069 0.000 0.901 356 R HN 0.408 nan 8.270 nan 0.000 0.410 357 N N 5.716 124.292 118.700 -0.205 0.000 2.793 357 N HA 0.022 4.762 4.740 0.001 0.000 0.251 357 N C 0.561 175.868 175.510 -0.339 0.000 1.308 357 N CA -0.388 52.535 53.050 -0.213 0.000 0.781 357 N CB 0.763 39.172 38.487 -0.130 0.000 1.439 357 N HN 0.463 nan 8.380 nan 0.000 0.562 358 L N 1.870 122.821 121.223 -0.455 0.000 2.089 358 L HA -0.206 4.134 4.340 0.001 0.000 0.213 358 L C 2.050 178.728 176.870 -0.319 0.000 1.079 358 L CA 1.817 56.266 54.840 -0.651 0.000 0.758 358 L CB -0.904 40.670 42.059 -0.807 0.000 0.891 358 L HN 0.630 nan 8.230 nan 0.000 0.433 359 Q N -0.452 119.253 119.800 -0.158 0.000 2.167 359 Q HA -0.173 4.167 4.340 0.001 0.000 0.202 359 Q C 1.825 177.774 176.000 -0.085 0.000 0.970 359 Q CA 1.122 56.891 55.803 -0.057 0.000 0.855 359 Q CB -0.028 28.688 28.738 -0.036 0.000 0.911 359 Q HN 0.629 nan 8.270 nan 0.000 0.438 360 E N -0.669 119.452 120.200 -0.131 0.000 2.385 360 E HA 0.035 4.385 4.350 0.001 0.000 0.194 360 E C 0.855 177.384 176.600 -0.118 0.000 1.013 360 E CA 0.381 56.705 56.400 -0.127 0.000 0.866 360 E CB 0.468 30.102 29.700 -0.110 0.000 0.832 360 E HN 0.496 nan 8.360 nan 0.000 0.500 361 G N 1.062 109.752 108.800 -0.184 0.000 2.159 361 G HA2 -0.222 3.738 3.960 0.001 0.000 0.227 361 G HA3 -0.222 3.738 3.960 0.001 0.000 0.227 361 G C -0.174 174.655 174.900 -0.118 0.000 0.986 361 G CA -0.352 44.669 45.100 -0.132 0.000 0.651 361 G HN 0.050 nan 8.290 nan 0.000 0.523 362 L N 1.269 122.365 121.223 -0.212 0.000 2.282 362 L HA 0.607 4.948 4.340 0.001 0.000 0.287 362 L C 1.093 177.797 176.870 -0.277 0.000 1.075 362 L CA -0.272 54.505 54.840 -0.105 0.000 0.839 362 L CB 0.166 42.193 42.059 -0.052 0.000 1.219 362 L HN 0.079 nan 8.230 nan 0.000 0.434 363 F N 2.074 121.822 119.950 -0.337 0.000 2.743 363 F HA 0.189 4.717 4.527 0.001 0.000 0.297 363 F C 0.425 175.896 175.800 -0.548 0.000 1.131 363 F CA 0.047 57.723 58.000 -0.541 0.000 1.426 363 F CB -0.164 38.318 39.000 -0.865 0.000 1.116 363 F HN 0.156 nan 8.300 nan 0.000 0.583 364 F N -0.369 119.648 119.950 0.112 0.000 2.551 364 F HA 0.370 4.897 4.527 0.001 0.000 0.316 364 F C -0.014 175.788 175.800 0.003 0.000 1.089 364 F CA -1.859 56.183 58.000 0.070 0.000 0.915 364 F CB 0.754 39.784 39.000 0.049 0.000 1.186 364 F HN -0.361 nan 8.300 nan 0.000 0.456 365 D N 2.436 122.965 120.400 0.215 0.000 2.341 365 D HA 0.423 5.063 4.640 0.001 0.000 0.245 365 D C -0.546 175.786 176.300 0.053 0.000 1.106 365 D CA 0.254 54.310 54.000 0.092 0.000 0.905 365 D CB 1.371 42.211 40.800 0.066 0.000 1.202 365 D HN 0.473 nan 8.370 nan 0.000 0.426 366 M N 1.551 121.140 119.600 -0.019 0.000 2.255 366 M HA 0.118 4.599 4.480 0.001 0.000 0.275 366 M C -1.455 174.747 176.300 -0.163 0.000 1.050 366 M CA -0.663 54.556 55.300 -0.135 0.000 0.978 366 M CB 1.790 34.238 32.600 -0.254 0.000 1.761 366 M HN 0.069 nan 8.290 nan 0.000 0.479 367 E N 2.800 122.920 120.200 -0.134 0.000 2.338 367 E HA 0.045 4.396 4.350 0.001 0.000 0.272 367 E C -0.495 176.039 176.600 -0.111 0.000 1.029 367 E CA 0.318 56.684 56.400 -0.056 0.000 0.872 367 E CB 0.876 30.565 29.700 -0.018 0.000 1.015 367 E HN 0.798 nan 8.360 nan 0.000 0.417 368 W N 1.126 122.423 121.300 -0.004 0.000 3.353 368 W HA 0.187 4.847 4.660 0.001 0.000 0.304 368 W C 0.976 177.488 176.519 -0.013 0.000 1.273 368 W CA 0.506 57.841 57.345 -0.016 0.000 1.773 368 W CB 0.288 29.738 29.460 -0.017 0.000 1.095 368 W HN 0.782 nan 8.180 nan 0.000 0.676 369 A N 0.227 123.161 122.820 0.190 0.000 2.799 369 A HA -0.330 3.991 4.320 0.001 0.000 0.287 369 A C 1.323 178.989 177.584 0.138 0.000 1.484 369 A CA 1.157 53.276 52.037 0.135 0.000 0.813 369 A CB -1.911 17.156 19.000 0.112 0.000 1.009 369 A HN 0.640 nan 8.150 nan 0.000 0.545 370 S N -3.405 112.381 115.700 0.143 0.000 3.127 370 S HA -0.222 4.249 4.470 0.001 0.000 0.281 370 S C 0.450 175.091 174.600 0.069 0.000 1.293 370 S CA 1.176 59.431 58.200 0.092 0.000 1.156 370 S CB -1.915 61.323 63.200 0.064 0.000 1.389 370 S HN 1.208 nan 8.310 nan 0.000 0.672 371 L N 1.739 123.025 121.223 0.104 0.000 2.485 371 L HA 0.132 4.473 4.340 0.001 0.000 0.275 371 L C 1.360 178.183 176.870 -0.078 0.000 1.207 371 L CA 0.235 55.096 54.840 0.035 0.000 0.855 371 L CB 0.188 42.299 42.059 0.087 0.000 1.114 371 L HN 0.259 nan 8.230 nan 0.000 0.485 372 R N 2.013 122.464 120.500 -0.081 0.000 2.811 372 R HA 0.066 4.406 4.340 0.001 0.000 0.265 372 R C -0.248 175.933 176.300 -0.199 0.000 1.026 372 R CA -0.072 55.965 56.100 -0.104 0.000 1.142 372 R CB 0.324 30.585 30.300 -0.065 0.000 1.027 372 R HN 0.482 nan 8.270 nan 0.000 0.465 373 K N 0.826 121.127 120.400 -0.165 0.000 2.174 373 K HA 0.237 4.558 4.320 0.001 0.000 0.275 373 K C -0.565 175.937 176.600 -0.164 0.000 1.015 373 K CA -0.523 55.643 56.287 -0.203 0.000 0.933 373 K CB 1.307 33.730 32.500 -0.128 0.000 1.025 373 K HN 0.155 nan 8.250 nan 0.000 0.463 374 V N 3.283 123.074 119.914 -0.204 0.000 2.539 374 V HA 0.184 4.304 4.120 0.001 0.000 0.292 374 V C -0.158 175.864 176.094 -0.120 0.000 1.045 374 V CA -0.810 61.403 62.300 -0.144 0.000 0.945 374 V CB 1.421 33.138 31.823 -0.178 0.000 0.993 374 V HN 0.714 nan 8.190 nan 0.000 0.464 375 M N 9.416 128.978 119.600 -0.063 0.000 2.135 375 M HA 0.400 4.880 4.480 0.001 0.000 0.345 375 M C -2.387 173.786 176.300 -0.211 0.000 1.340 375 M CA -1.959 53.268 55.300 -0.121 0.000 1.162 375 M CB 0.798 33.321 32.600 -0.129 0.000 1.570 375 M HN 0.336 nan 8.290 nan 0.000 0.454 376 P HA 0.120 nan 4.420 nan 0.000 0.272 376 P C -1.181 175.939 177.300 -0.299 0.000 1.223 376 P CA -0.251 62.607 63.100 -0.402 0.000 0.784 376 P CB 0.754 31.904 31.700 -0.917 0.000 0.923 377 V N 1.554 121.314 119.914 -0.257 0.000 2.531 377 V HA 0.528 4.648 4.120 0.001 0.000 0.301 377 V C 0.158 176.172 176.094 -0.134 0.000 1.034 377 V CA -0.830 61.341 62.300 -0.215 0.000 0.865 377 V CB 1.595 33.224 31.823 -0.323 0.000 0.995 377 V HN 0.714 nan 8.190 nan 0.000 0.424 378 A N 3.562 126.345 122.820 -0.062 0.000 2.260 378 A HA 0.866 5.186 4.320 0.001 0.000 0.314 378 A C -0.077 177.444 177.584 -0.104 0.000 1.257 378 A CA -0.297 51.727 52.037 -0.022 0.000 0.871 378 A CB 1.175 20.184 19.000 0.016 0.000 1.166 378 A HN 0.873 nan 8.150 nan 0.000 0.522 379 S N 1.446 117.114 115.700 -0.052 0.000 2.533 379 S HA 0.734 5.204 4.470 0.001 0.000 0.271 379 S C -0.502 174.068 174.600 -0.050 0.000 1.143 379 S CA 0.404 58.574 58.200 -0.050 0.000 0.891 379 S CB 1.349 64.606 63.200 0.096 0.000 1.105 379 S HN 2.582 nan 8.310 nan 0.000 0.468 380 G N 1.696 110.444 108.800 -0.086 0.000 2.730 380 G HA2 0.445 4.405 3.960 0.001 0.000 0.644 380 G HA3 0.445 4.405 3.960 0.001 0.000 0.644 380 G C 0.902 175.711 174.900 -0.153 0.000 1.168 380 G CA 0.380 45.414 45.100 -0.110 0.000 1.240 380 G HN 2.137 nan 8.290 nan 0.000 0.551 381 G N 0.109 108.855 108.800 -0.090 0.000 2.153 381 G HA2 -0.081 3.879 3.960 0.001 0.000 0.252 381 G HA3 -0.081 3.879 3.960 0.001 0.000 0.252 381 G C 0.711 175.702 174.900 0.152 0.000 0.994 381 G CA 0.981 46.097 45.100 0.027 0.000 0.698 381 G HN 2.301 nan 8.290 nan 0.000 0.521 382 I N -1.695 118.883 120.570 0.013 0.000 2.566 382 I HA 0.924 5.094 4.170 0.001 0.000 0.303 382 I C 0.188 176.436 176.117 0.220 0.000 0.983 382 I CA -1.175 60.125 61.300 0.001 0.000 1.235 382 I CB 1.457 39.363 38.000 -0.157 0.000 1.386 382 I HN 0.353 nan 8.210 nan 0.000 0.494 383 H N 2.347 121.631 119.070 0.356 0.000 3.017 383 H HA 0.774 5.331 4.556 0.001 0.000 0.346 383 H C -0.947 174.564 175.328 0.305 0.000 1.286 383 H CA -0.985 55.243 56.048 0.299 0.000 1.120 383 H CB 0.731 30.466 29.762 -0.044 0.000 1.860 383 H HN 0.920 nan 8.280 nan 0.000 0.542 384 A N 0.347 123.321 122.820 0.256 0.000 2.540 384 A HA 0.466 4.787 4.320 0.001 0.000 0.239 384 A C 1.518 179.339 177.584 0.394 0.000 1.061 384 A CA 0.913 53.057 52.037 0.178 0.000 0.758 384 A CB -1.240 17.784 19.000 0.040 0.000 0.991 384 A HN 1.932 nan 8.150 nan 0.000 0.502 385 G N 1.025 110.003 108.800 0.297 0.000 2.336 385 G HA2 -0.178 3.783 3.960 0.001 0.000 0.194 385 G HA3 -0.178 3.783 3.960 0.001 0.000 0.194 385 G C 0.556 175.672 174.900 0.360 0.000 0.999 385 G CA 0.430 45.715 45.100 0.308 0.000 0.669 385 G HN 0.711 nan 8.290 nan 0.000 0.482 386 Q N -0.658 119.319 119.800 0.295 0.000 2.217 386 Q HA 0.384 4.725 4.340 0.001 0.000 0.217 386 Q C 2.160 178.344 176.000 0.307 0.000 0.844 386 Q CA 0.126 56.068 55.803 0.232 0.000 0.957 386 Q CB 0.244 28.978 28.738 -0.006 0.000 1.127 386 Q HN 0.389 nan 8.270 nan 0.000 0.503 387 M N 1.423 121.237 119.600 0.357 0.000 2.103 387 M HA -0.281 4.200 4.480 0.001 0.000 0.255 387 M C 1.905 178.388 176.300 0.305 0.000 1.074 387 M CA 2.342 57.815 55.300 0.288 0.000 1.090 387 M CB -0.475 32.247 32.600 0.203 0.000 1.325 387 M HN 0.471 nan 8.290 nan 0.000 0.403 388 H N -2.358 116.785 119.070 0.122 0.000 2.353 388 H HA -0.179 4.377 4.556 0.001 0.000 0.298 388 H C 1.764 177.212 175.328 0.200 0.000 1.103 388 H CA 1.529 57.699 56.048 0.204 0.000 1.293 388 H CB -0.751 29.122 29.762 0.186 0.000 1.372 388 H HN 0.596 nan 8.280 nan 0.000 0.501 389 Q N 0.891 120.559 119.800 -0.220 0.000 2.123 389 Q HA 0.001 4.341 4.340 0.001 0.000 0.199 389 Q C 2.573 178.591 176.000 0.031 0.000 0.966 389 Q CA 1.001 56.654 55.803 -0.249 0.000 0.845 389 Q CB 0.089 28.662 28.738 -0.274 0.000 0.907 389 Q HN 0.487 nan 8.270 nan 0.000 0.439 390 L N 0.490 121.778 121.223 0.109 0.000 2.012 390 L HA -0.212 4.129 4.340 0.001 0.000 0.210 390 L C 2.320 179.265 176.870 0.125 0.000 1.073 390 L CA 0.850 55.773 54.840 0.137 0.000 0.748 390 L CB -0.499 41.644 42.059 0.140 0.000 0.891 390 L HN 0.289 nan 8.230 nan 0.000 0.431 391 I N -0.794 119.852 120.570 0.126 0.000 2.202 391 I HA -0.309 3.861 4.170 0.001 0.000 0.242 391 I C 2.568 178.780 176.117 0.158 0.000 1.091 391 I CA 1.551 62.904 61.300 0.089 0.000 1.368 391 I CB -1.619 36.342 38.000 -0.065 0.000 1.058 391 I HN 0.432 nan 8.210 nan 0.000 0.410 392 H N 0.635 119.805 119.070 0.168 0.000 2.289 392 H HA -0.264 4.293 4.556 0.001 0.000 0.296 392 H C 2.315 177.622 175.328 -0.035 0.000 1.091 392 H CA 2.452 58.530 56.048 0.050 0.000 1.274 392 H CB -0.092 29.536 29.762 -0.224 0.000 1.364 392 H HN 0.215 nan 8.280 nan 0.000 0.490 393 Y N 0.436 120.694 120.300 -0.071 0.000 2.206 393 Y HA -0.028 4.523 4.550 0.001 0.000 0.292 393 Y C 2.980 178.703 175.900 -0.293 0.000 1.123 393 Y CA 0.749 58.727 58.100 -0.205 0.000 1.142 393 Y CB -0.362 38.046 38.460 -0.087 0.000 1.006 393 Y HN 0.118 nan 8.280 nan 0.000 0.518 394 L N -1.364 119.833 121.223 -0.044 0.000 2.270 394 L HA 0.263 4.604 4.340 0.001 0.000 0.210 394 L C 1.291 178.142 176.870 -0.032 0.000 1.104 394 L CA 0.552 55.278 54.840 -0.190 0.000 0.804 394 L CB -0.952 41.108 42.059 0.003 0.000 0.937 394 L HN 0.356 nan 8.230 nan 0.000 0.450 395 G N 0.722 109.532 108.800 0.015 0.000 2.725 395 G HA2 -0.299 3.662 3.960 0.001 0.000 0.220 395 G HA3 -0.299 3.662 3.960 0.001 0.000 0.220 395 G C 0.301 175.244 174.900 0.072 0.000 1.357 395 G CA 0.226 45.356 45.100 0.050 0.000 0.866 395 G HN 0.249 nan 8.290 nan 0.000 0.548 396 E N -0.524 119.716 120.200 0.067 0.000 2.051 396 E HA -0.037 4.313 4.350 0.001 0.000 0.189 396 E C 0.218 176.858 176.600 0.067 0.000 0.979 396 E CA 0.914 57.349 56.400 0.058 0.000 0.803 396 E CB 0.010 29.742 29.700 0.052 0.000 0.761 396 E HN 0.427 nan 8.360 nan 0.000 0.451 397 D N 1.513 121.961 120.400 0.080 0.000 2.453 397 D HA 0.168 4.808 4.640 0.001 0.000 0.223 397 D C -0.718 175.622 176.300 0.067 0.000 1.183 397 D CA 0.198 54.234 54.000 0.061 0.000 0.933 397 D CB 1.217 42.046 40.800 0.048 0.000 1.038 397 D HN -0.036 nan 8.370 nan 0.000 0.513 398 V N 1.590 121.532 119.914 0.046 0.000 3.236 398 V HA 0.256 4.376 4.120 0.001 0.000 0.287 398 V C -1.603 174.488 176.094 -0.005 0.000 1.491 398 V CA -0.712 61.607 62.300 0.032 0.000 1.037 398 V CB 2.490 34.420 31.823 0.180 0.000 1.160 398 V HN 0.059 nan 8.190 nan 0.000 0.453 399 V N 6.048 125.927 119.914 -0.058 0.000 2.328 399 V HA 0.479 4.599 4.120 0.001 0.000 0.278 399 V C -0.423 175.649 176.094 -0.035 0.000 1.021 399 V CA -0.558 61.726 62.300 -0.028 0.000 0.838 399 V CB 1.199 32.985 31.823 -0.061 0.000 0.999 399 V HN 0.628 nan 8.190 nan 0.000 0.447 400 L N 5.799 127.011 121.223 -0.018 0.000 2.278 400 L HA 0.398 4.738 4.340 0.001 0.000 0.287 400 L C 0.372 177.109 176.870 -0.220 0.000 1.072 400 L CA 0.464 55.213 54.840 -0.151 0.000 0.819 400 L CB 0.806 42.828 42.059 -0.063 0.000 1.176 400 L HN 0.643 nan 8.230 nan 0.000 0.435 401 Q N 4.275 123.876 119.800 -0.332 0.000 2.368 401 Q HA 0.421 4.761 4.340 0.001 0.000 0.263 401 Q C -1.332 174.463 176.000 -0.341 0.000 1.009 401 Q CA -0.276 55.399 55.803 -0.213 0.000 0.818 401 Q CB 1.298 29.981 28.738 -0.091 0.000 1.239 401 Q HN 0.352 nan 8.270 nan 0.000 0.464 402 F N 1.046 120.998 119.950 0.003 0.000 2.361 402 F HA 0.371 4.898 4.527 0.001 0.000 0.364 402 F C 1.067 176.856 175.800 -0.020 0.000 1.117 402 F CA -0.570 57.420 58.000 -0.017 0.000 1.071 402 F CB 1.255 40.247 39.000 -0.013 0.000 1.188 402 F HN 0.653 nan 8.300 nan 0.000 0.464 403 G N 1.854 110.716 108.800 0.103 0.000 2.558 403 G HA2 0.100 4.061 3.960 0.001 0.000 0.218 403 G HA3 0.100 4.061 3.960 0.001 0.000 0.218 403 G C 1.701 176.640 174.900 0.065 0.000 1.567 403 G CA 0.408 45.549 45.100 0.069 0.000 0.950 403 G HN 0.771 nan 8.290 nan 0.000 0.517 404 G N 0.441 109.262 108.800 0.035 0.000 2.498 404 G HA2 0.147 4.107 3.960 0.001 0.000 0.219 404 G HA3 0.147 4.107 3.960 0.001 0.000 0.219 404 G C 1.537 176.420 174.900 -0.029 0.000 1.119 404 G CA 1.201 46.325 45.100 0.040 0.000 0.766 404 G HN 0.718 nan 8.290 nan 0.000 0.552 405 G N -0.766 107.957 108.800 -0.127 0.000 2.776 405 G HA2 0.196 4.156 3.960 0.001 0.000 0.209 405 G HA3 0.196 4.156 3.960 0.001 0.000 0.209 405 G C 1.203 176.085 174.900 -0.029 0.000 1.145 405 G CA 1.416 46.298 45.100 -0.364 0.000 0.791 405 G HN 0.388 nan 8.290 nan 0.000 0.530 406 T N -0.065 114.563 114.554 0.123 0.000 3.321 406 T HA 0.120 4.471 4.350 0.001 0.000 0.251 406 T C 2.175 176.993 174.700 0.197 0.000 0.999 406 T CA -0.188 62.010 62.100 0.162 0.000 1.186 406 T CB -0.023 68.911 68.868 0.110 0.000 1.163 406 T HN 0.117 nan 8.240 nan 0.000 0.399 407 I N 2.011 122.665 120.570 0.141 0.000 2.850 407 I HA -0.016 4.154 4.170 0.001 0.000 0.266 407 I C 2.336 178.559 176.117 0.177 0.000 1.257 407 I CA 1.051 62.423 61.300 0.120 0.000 1.465 407 I CB -0.329 37.711 38.000 0.067 0.000 1.091 407 I HN 0.323 nan 8.210 nan 0.000 0.467 408 G N -0.770 108.198 108.800 0.279 0.000 2.880 408 G HA2 -0.105 3.855 3.960 0.001 0.000 0.209 408 G HA3 -0.105 3.855 3.960 0.001 0.000 0.209 408 G C 0.692 175.803 174.900 0.351 0.000 1.157 408 G CA -0.171 45.145 45.100 0.359 0.000 0.779 408 G HN 0.336 nan 8.290 nan 0.000 0.539 409 H N 1.942 121.163 119.070 0.252 0.000 2.928 409 H HA 0.075 4.632 4.556 0.001 0.000 0.338 409 H C -1.072 174.251 175.328 -0.008 0.000 1.047 409 H CA -1.137 54.951 56.048 0.066 0.000 1.435 409 H CB 1.987 31.797 29.762 0.081 0.000 1.428 409 H HN 0.045 nan 8.280 nan 0.000 0.590 410 P HA -0.068 nan 4.420 nan 0.000 0.226 410 P C 0.127 177.495 177.300 0.113 0.000 1.153 410 P CA 0.736 63.818 63.100 -0.031 0.000 0.777 410 P CB 0.540 32.130 31.700 -0.184 0.000 0.794 411 D N -0.187 120.437 120.400 0.374 0.000 2.342 411 D HA 0.320 4.961 4.640 0.001 0.000 0.221 411 D C 1.182 177.528 176.300 0.077 0.000 1.101 411 D CA 0.563 54.676 54.000 0.189 0.000 0.837 411 D CB 0.363 41.276 40.800 0.188 0.000 0.938 411 D HN 0.197 nan 8.370 nan 0.000 0.508 412 G N 0.185 109.045 108.800 0.099 0.000 2.497 412 G HA2 -0.183 3.777 3.960 0.001 0.000 0.686 412 G HA3 -0.183 3.777 3.960 0.001 0.000 0.686 412 G C 0.674 175.573 174.900 -0.002 0.000 1.288 412 G CA -0.646 44.471 45.100 0.028 0.000 0.899 412 G HN 0.098 nan 8.290 nan 0.000 0.608 413 I N 0.321 120.888 120.570 -0.005 0.000 2.315 413 I HA -0.171 3.999 4.170 0.001 0.000 0.248 413 I C 2.933 179.009 176.117 -0.069 0.000 1.117 413 I CA 1.652 62.944 61.300 -0.013 0.000 1.404 413 I CB -0.282 37.714 38.000 -0.007 0.000 1.071 413 I HN 0.635 nan 8.210 nan 0.000 0.419 414 Q N 0.752 120.493 119.800 -0.098 0.000 2.124 414 Q HA -0.197 4.144 4.340 0.001 0.000 0.202 414 Q C 2.513 178.410 176.000 -0.172 0.000 0.977 414 Q CA 1.735 57.459 55.803 -0.133 0.000 0.850 414 Q CB -0.197 28.461 28.738 -0.135 0.000 0.901 414 Q HN 0.589 nan 8.270 nan 0.000 0.429 415 A N 0.848 123.526 122.820 -0.237 0.000 1.865 415 A HA -0.145 4.175 4.320 0.001 0.000 0.217 415 A C 2.287 179.536 177.584 -0.560 0.000 1.191 415 A CA 1.801 53.573 52.037 -0.441 0.000 0.623 415 A CB -1.255 17.373 19.000 -0.621 0.000 0.826 415 A HN 0.494 nan 8.150 nan 0.000 0.444 416 G N -0.695 107.840 108.800 -0.443 0.000 2.422 416 G HA2 0.013 3.974 3.960 0.001 0.000 0.218 416 G HA3 0.013 3.974 3.960 0.001 0.000 0.218 416 G C 1.742 176.600 174.900 -0.070 0.000 1.146 416 G CA 1.524 46.559 45.100 -0.109 0.000 0.769 416 G HN 0.818 nan 8.290 nan 0.000 0.547 417 A N 0.419 123.187 122.820 -0.087 0.000 1.883 417 A HA -0.050 4.270 4.320 0.001 0.000 0.217 417 A C 2.539 180.067 177.584 -0.093 0.000 1.186 417 A CA 2.535 54.528 52.037 -0.074 0.000 0.624 417 A CB -1.071 17.886 19.000 -0.071 0.000 0.822 417 A HN 0.294 nan 8.150 nan 0.000 0.444 418 T N 0.372 114.859 114.554 -0.113 0.000 2.720 418 T HA -0.051 4.300 4.350 0.001 0.000 0.268 418 T C 2.226 176.876 174.700 -0.084 0.000 1.037 418 T CA 1.687 63.728 62.100 -0.098 0.000 1.144 418 T CB -0.544 68.260 68.868 -0.108 0.000 0.864 418 T HN 0.628 nan 8.240 nan 0.000 0.444 419 A N 2.722 125.491 122.820 -0.085 0.000 1.892 419 A HA -0.224 4.097 4.320 0.001 0.000 0.218 419 A C 2.261 179.800 177.584 -0.074 0.000 1.188 419 A CA 1.788 53.800 52.037 -0.041 0.000 0.631 419 A CB -0.688 18.337 19.000 0.041 0.000 0.822 419 A HN 0.447 nan 8.150 nan 0.000 0.447 420 N N -0.651 117.960 118.700 -0.148 0.000 2.142 420 N HA -0.160 4.580 4.740 0.001 0.000 0.186 420 N C 1.870 177.309 175.510 -0.118 0.000 1.023 420 N CA 1.609 54.501 53.050 -0.264 0.000 0.852 420 N CB -0.458 37.728 38.487 -0.503 0.000 0.998 420 N HN 0.499 nan 8.380 nan 0.000 0.424 421 R N 1.430 121.884 120.500 -0.077 0.000 2.073 421 R HA 0.004 4.345 4.340 0.001 0.000 0.234 421 R C 2.017 178.298 176.300 -0.032 0.000 1.134 421 R CA 1.035 57.111 56.100 -0.040 0.000 0.952 421 R CB -0.814 29.459 30.300 -0.045 0.000 0.850 421 R HN -0.003 nan 8.270 nan 0.000 0.433 422 V N 0.870 120.761 119.914 -0.038 0.000 2.295 422 V HA -0.195 3.926 4.120 0.001 0.000 0.246 422 V C 2.384 178.466 176.094 -0.019 0.000 1.049 422 V CA 1.943 64.227 62.300 -0.027 0.000 1.024 422 V CB -1.037 30.770 31.823 -0.027 0.000 0.648 422 V HN 0.550 nan 8.190 nan 0.000 0.447 423 A N 0.001 122.809 122.820 -0.021 0.000 1.892 423 A HA -0.250 4.071 4.320 0.001 0.000 0.218 423 A C 2.188 179.775 177.584 0.005 0.000 1.188 423 A CA 2.370 54.404 52.037 -0.005 0.000 0.631 423 A CB -0.694 18.304 19.000 -0.003 0.000 0.822 423 A HN 0.473 nan 8.150 nan 0.000 0.447 424 L N 0.015 121.244 121.223 0.010 0.000 1.956 424 L HA -0.212 4.128 4.340 0.001 0.000 0.216 424 L C 2.214 179.082 176.870 -0.003 0.000 1.073 424 L CA 2.765 57.621 54.840 0.026 0.000 0.762 424 L CB -0.873 41.213 42.059 0.046 0.000 0.889 424 L HN 0.542 nan 8.230 nan 0.000 0.433 425 E N -0.543 119.652 120.200 -0.008 0.000 2.160 425 E HA -0.238 4.113 4.350 0.001 0.000 0.195 425 E C 2.099 178.687 176.600 -0.020 0.000 0.991 425 E CA 1.110 57.501 56.400 -0.014 0.000 0.810 425 E CB -0.309 29.384 29.700 -0.012 0.000 0.742 425 E HN 0.707 nan 8.360 nan 0.000 0.466 426 A N 0.651 123.460 122.820 -0.018 0.000 1.930 426 A HA -0.162 4.159 4.320 0.001 0.000 0.217 426 A C 2.049 179.614 177.584 -0.031 0.000 1.175 426 A CA 1.185 53.211 52.037 -0.018 0.000 0.627 426 A CB -0.274 18.718 19.000 -0.013 0.000 0.815 426 A HN 0.160 nan 8.150 nan 0.000 0.443 427 M N 0.015 119.589 119.600 -0.045 0.000 2.200 427 M HA -0.019 4.462 4.480 0.001 0.000 0.265 427 M C 1.825 178.011 176.300 -0.190 0.000 1.066 427 M CA 1.574 56.816 55.300 -0.096 0.000 1.127 427 M CB -0.580 31.973 32.600 -0.079 0.000 1.379 427 M HN 0.538 nan 8.290 nan 0.000 0.420 428 I N -1.599 118.888 120.570 -0.138 0.000 2.761 428 I HA -0.065 4.106 4.170 0.001 0.000 0.261 428 I C 1.784 177.853 176.117 -0.081 0.000 1.198 428 I CA 1.116 62.330 61.300 -0.143 0.000 1.482 428 I CB -0.573 37.378 38.000 -0.081 0.000 1.100 428 I HN 0.297 nan 8.210 nan 0.000 0.445 429 L N 1.293 122.486 121.223 -0.050 0.000 2.027 429 L HA -0.039 4.301 4.340 0.001 0.000 0.206 429 L C 2.563 179.426 176.870 -0.011 0.000 1.074 429 L CA 2.229 57.057 54.840 -0.020 0.000 0.745 429 L CB -1.034 41.018 42.059 -0.012 0.000 0.898 429 L HN 0.432 nan 8.230 nan 0.000 0.433 430 A N 0.035 122.846 122.820 -0.015 0.000 1.969 430 A HA -0.225 4.095 4.320 0.001 0.000 0.218 430 A C 2.434 180.053 177.584 0.057 0.000 1.169 430 A CA 1.408 53.461 52.037 0.025 0.000 0.635 430 A CB -0.584 18.442 19.000 0.043 0.000 0.810 430 A HN 0.489 nan 8.150 nan 0.000 0.445 431 R N -0.058 120.429 120.500 -0.021 0.000 2.070 431 R HA -0.176 4.164 4.340 0.001 0.000 0.232 431 R C 1.699 178.045 176.300 0.076 0.000 1.138 431 R CA 1.896 58.016 56.100 0.034 0.000 0.936 431 R CB -0.437 29.733 30.300 -0.217 0.000 0.839 431 R HN 0.478 nan 8.270 nan 0.000 0.429 432 N N 1.167 119.883 118.700 0.025 0.000 2.192 432 N HA -0.169 4.571 4.740 0.001 0.000 0.188 432 N C 1.015 176.550 175.510 0.041 0.000 1.013 432 N CA 1.385 54.454 53.050 0.033 0.000 0.863 432 N CB -0.169 38.328 38.487 0.017 0.000 0.990 432 N HN 0.444 nan 8.380 nan 0.000 0.430 433 E N 0.276 120.503 120.200 0.044 0.000 2.511 433 E HA -0.018 4.332 4.350 0.001 0.000 0.196 433 E C -0.078 176.554 176.600 0.053 0.000 1.066 433 E CA -0.135 56.290 56.400 0.042 0.000 0.871 433 E CB -0.145 29.577 29.700 0.037 0.000 0.863 433 E HN 0.240 nan 8.360 nan 0.000 0.520 434 N N 1.289 120.033 118.700 0.074 0.000 2.776 434 N HA -0.176 4.565 4.740 0.001 0.000 0.250 434 N C -1.031 174.525 175.510 0.077 0.000 1.112 434 N CA 0.608 53.704 53.050 0.075 0.000 0.733 434 N CB -0.841 37.675 38.487 0.048 0.000 1.097 434 N HN 0.194 nan 8.380 nan 0.000 0.558 435 R N 0.590 121.155 120.500 0.109 0.000 2.410 435 R HA 0.135 4.475 4.340 0.001 0.000 0.288 435 R C 0.198 176.554 176.300 0.095 0.000 1.051 435 R CA -0.597 55.560 56.100 0.094 0.000 1.021 435 R CB 0.546 30.906 30.300 0.101 0.000 1.032 435 R HN 0.067 nan 8.270 nan 0.000 0.481 436 D N 3.359 123.766 120.400 0.013 0.000 2.662 436 D HA -0.083 4.557 4.640 0.001 0.000 0.228 436 D C 0.901 177.147 176.300 -0.090 0.000 1.093 436 D CA -0.102 53.844 54.000 -0.089 0.000 1.075 436 D CB -0.091 40.660 40.800 -0.081 0.000 1.122 436 D HN 0.546 nan 8.370 nan 0.000 0.475 437 Y N 0.464 120.777 120.300 0.020 0.000 2.465 437 Y HA -0.092 4.459 4.550 0.001 0.000 0.289 437 Y C 1.719 177.650 175.900 0.052 0.000 1.150 437 Y CA 0.423 58.543 58.100 0.032 0.000 1.293 437 Y CB -0.431 38.056 38.460 0.045 0.000 0.977 437 Y HN 0.278 nan 8.280 nan 0.000 0.556 438 L N -0.141 120.833 121.223 -0.415 0.000 2.109 438 L HA -0.142 4.198 4.340 0.001 0.000 0.207 438 L C 1.863 178.695 176.870 -0.064 0.000 1.086 438 L CA 2.009 56.691 54.840 -0.264 0.000 0.760 438 L CB -0.434 41.294 42.059 -0.553 0.000 0.910 438 L HN 0.371 nan 8.230 nan 0.000 0.437 439 T N -0.704 113.795 114.554 -0.092 0.000 2.852 439 T HA -0.117 4.234 4.350 0.001 0.000 0.256 439 T C 1.463 176.170 174.700 0.011 0.000 1.038 439 T CA 0.981 63.059 62.100 -0.037 0.000 1.141 439 T CB -0.034 68.800 68.868 -0.057 0.000 0.869 439 T HN 0.349 nan 8.240 nan 0.000 0.439 440 E N 0.773 120.981 120.200 0.014 0.000 2.511 440 E HA 0.115 4.465 4.350 0.001 0.000 0.196 440 E C 2.188 178.796 176.600 0.013 0.000 1.066 440 E CA 0.069 56.481 56.400 0.019 0.000 0.871 440 E CB -0.211 29.506 29.700 0.029 0.000 0.863 440 E HN 0.485 nan 8.360 nan 0.000 0.520 441 G N 2.838 111.663 108.800 0.042 0.000 2.681 441 G HA2 -0.278 3.683 3.960 0.001 0.000 0.220 441 G HA3 -0.278 3.683 3.960 0.001 0.000 0.220 441 G C -0.803 173.893 174.900 -0.341 0.000 1.210 441 G CA 0.856 45.888 45.100 -0.113 0.000 0.783 441 G HN 0.270 nan 8.290 nan 0.000 0.609 442 P HA -0.054 nan 4.420 nan 0.000 0.217 442 P C 1.854 179.090 177.300 -0.107 0.000 1.148 442 P CA 1.216 64.189 63.100 -0.213 0.000 0.828 442 P CB 0.091 31.738 31.700 -0.089 0.000 0.783 443 E N -0.631 119.527 120.200 -0.070 0.000 2.046 443 E HA -0.075 4.276 4.350 0.001 0.000 0.190 443 E C 2.094 178.674 176.600 -0.033 0.000 0.982 443 E CA 0.849 57.226 56.400 -0.038 0.000 0.800 443 E CB -0.710 28.979 29.700 -0.020 0.000 0.756 443 E HN 0.274 nan 8.360 nan 0.000 0.449 444 I N 1.132 121.683 120.570 -0.031 0.000 2.194 444 I HA -0.319 3.851 4.170 0.001 0.000 0.246 444 I C 2.460 178.561 176.117 -0.026 0.000 1.093 444 I CA 1.048 62.338 61.300 -0.017 0.000 1.355 444 I CB -0.337 37.666 38.000 0.003 0.000 1.046 444 I HN 0.074 nan 8.210 nan 0.000 0.413 445 L N -0.137 121.056 121.223 -0.049 0.000 2.056 445 L HA -0.174 4.167 4.340 0.001 0.000 0.207 445 L C 2.751 179.607 176.870 -0.024 0.000 1.078 445 L CA 1.209 56.028 54.840 -0.036 0.000 0.749 445 L CB -0.498 41.531 42.059 -0.051 0.000 0.901 445 L HN 0.102 nan 8.230 nan 0.000 0.433 446 R N -0.031 120.452 120.500 -0.029 0.000 2.096 446 R HA -0.207 4.134 4.340 0.001 0.000 0.235 446 R C 2.209 178.500 176.300 -0.016 0.000 1.127 446 R CA 1.377 57.464 56.100 -0.021 0.000 0.968 446 R CB -0.124 30.163 30.300 -0.022 0.000 0.861 446 R HN 0.221 nan 8.270 nan 0.000 0.440 447 E N 0.081 120.272 120.200 -0.015 0.000 2.017 447 E HA -0.120 4.230 4.350 0.001 0.000 0.193 447 E C 1.766 178.360 176.600 -0.010 0.000 0.997 447 E CA 1.760 58.154 56.400 -0.011 0.000 0.804 447 E CB -0.336 29.359 29.700 -0.009 0.000 0.757 447 E HN 0.316 nan 8.360 nan 0.000 0.448 448 A N 0.661 123.475 122.820 -0.010 0.000 1.986 448 A HA -0.128 4.193 4.320 0.001 0.000 0.220 448 A C 2.330 179.908 177.584 -0.009 0.000 1.171 448 A CA 2.034 54.065 52.037 -0.010 0.000 0.640 448 A CB -0.960 18.034 19.000 -0.010 0.000 0.811 448 A HN 0.383 nan 8.150 nan 0.000 0.451 449 A N -0.584 122.230 122.820 -0.009 0.000 2.172 449 A HA -0.045 4.275 4.320 0.001 0.000 0.216 449 A C 1.925 179.503 177.584 -0.010 0.000 1.154 449 A CA 1.358 53.391 52.037 -0.008 0.000 0.701 449 A CB -0.339 18.656 19.000 -0.008 0.000 0.789 449 A HN 0.566 nan 8.150 nan 0.000 0.465 450 K N -0.851 119.543 120.400 -0.010 0.000 2.288 450 K HA -0.038 4.283 4.320 0.001 0.000 0.201 450 K C 1.231 177.825 176.600 -0.010 0.000 1.048 450 K CA 1.506 57.786 56.287 -0.010 0.000 0.956 450 K CB 0.004 32.498 32.500 -0.010 0.000 0.746 450 K HN 0.457 nan 8.250 nan 0.000 0.461 451 T N -0.689 113.859 114.554 -0.010 0.000 3.015 451 T HA 0.053 4.403 4.350 0.001 0.000 0.250 451 T C 0.332 175.024 174.700 -0.012 0.000 1.057 451 T CA 0.149 62.243 62.100 -0.011 0.000 1.066 451 T CB 0.321 69.183 68.868 -0.010 0.000 0.959 451 T HN 0.114 nan 8.240 nan 0.000 0.488 452 C N 2.190 121.483 119.300 -0.012 0.000 2.344 452 C HA 0.669 5.129 4.460 0.001 0.000 0.326 452 C C 2.032 177.018 174.990 -0.007 0.000 1.201 452 C CA -0.951 58.059 59.018 -0.014 0.000 1.410 452 C CB 0.010 27.739 27.740 -0.018 0.000 2.070 452 C HN 0.625 nan 8.230 nan 0.000 0.445 453 G N 3.124 111.921 108.800 -0.006 0.000 2.450 453 G HA2 -0.114 3.847 3.960 0.001 0.000 0.220 453 G HA3 -0.114 3.847 3.960 0.001 0.000 0.220 453 G C 1.674 176.592 174.900 0.030 0.000 1.130 453 G CA 1.221 46.324 45.100 0.004 0.000 0.760 453 G HN 1.040 nan 8.290 nan 0.000 0.557 454 A N 0.648 123.478 122.820 0.018 0.000 1.873 454 A HA -0.064 4.257 4.320 0.001 0.000 0.218 454 A C 2.365 180.020 177.584 0.119 0.000 1.193 454 A CA 1.877 53.936 52.037 0.037 0.000 0.629 454 A CB -0.546 18.400 19.000 -0.090 0.000 0.826 454 A HN 0.514 nan 8.150 nan 0.000 0.447 455 L N -0.305 120.945 121.223 0.046 0.000 2.093 455 L HA -0.091 4.250 4.340 0.001 0.000 0.208 455 L C 2.417 179.309 176.870 0.036 0.000 1.085 455 L CA 2.345 57.212 54.840 0.044 0.000 0.755 455 L CB -0.667 41.400 42.059 0.014 0.000 0.904 455 L HN 0.479 nan 8.230 nan 0.000 0.435 456 R N -1.197 119.314 120.500 0.018 0.000 2.080 456 R HA -0.171 4.170 4.340 0.001 0.000 0.236 456 R C 2.060 178.338 176.300 -0.038 0.000 1.137 456 R CA 2.180 58.275 56.100 -0.008 0.000 0.943 456 R CB -0.500 29.793 30.300 -0.013 0.000 0.846 456 R HN 0.407 nan 8.270 nan 0.000 0.431 457 T N 0.517 115.052 114.554 -0.031 0.000 2.708 457 T HA -0.132 4.219 4.350 0.001 0.000 0.266 457 T C 1.770 176.304 174.700 -0.277 0.000 1.037 457 T CA 1.447 63.459 62.100 -0.147 0.000 1.146 457 T CB -0.314 68.470 68.868 -0.140 0.000 0.865 457 T HN 0.479 nan 8.240 nan 0.000 0.435 458 A N 0.898 123.621 122.820 -0.162 0.000 2.019 458 A HA 0.066 4.386 4.320 0.001 0.000 0.219 458 A C 2.254 179.782 177.584 -0.093 0.000 1.164 458 A CA 1.007 52.940 52.037 -0.174 0.000 0.644 458 A CB -0.721 18.387 19.000 0.181 0.000 0.805 458 A HN 0.490 nan 8.150 nan 0.000 0.449 459 L N -0.669 120.528 121.223 -0.044 0.000 2.156 459 L HA -0.113 4.227 4.340 0.001 0.000 0.208 459 L C 1.460 178.288 176.870 -0.070 0.000 1.095 459 L CA 1.177 56.012 54.840 -0.009 0.000 0.770 459 L CB -0.377 41.684 42.059 0.003 0.000 0.914 459 L HN 0.339 nan 8.230 nan 0.000 0.439 460 D N -0.474 119.842 120.400 -0.139 0.000 2.333 460 D HA -0.044 4.597 4.640 0.001 0.000 0.208 460 D C 2.135 178.289 176.300 -0.243 0.000 0.984 460 D CA 0.422 54.330 54.000 -0.154 0.000 0.873 460 D CB 0.547 41.263 40.800 -0.139 0.000 0.935 460 D HN 0.282 nan 8.370 nan 0.000 0.521 461 L N -0.282 120.696 121.223 -0.410 0.000 1.993 461 L HA -0.050 4.291 4.340 0.001 0.000 0.206 461 L C 0.869 177.389 176.870 -0.584 0.000 1.074 461 L CA 1.005 55.443 54.840 -0.669 0.000 0.746 461 L CB 0.123 41.430 42.059 -1.252 0.000 0.896 461 L HN 0.077 nan 8.230 nan 0.000 0.435 462 W N 0.692 121.846 121.300 -0.244 0.000 3.086 462 W HA 0.168 4.828 4.660 0.001 0.000 0.436 462 W C 1.617 177.916 176.519 -0.366 0.000 0.939 462 W CA -0.430 56.677 57.345 -0.396 0.000 2.108 462 W CB -0.425 28.596 29.460 -0.732 0.000 1.093 462 W HN 0.305 nan 8.180 nan 0.000 0.783 463 K N 0.827 121.193 120.400 -0.057 0.000 2.147 463 K HA -0.172 4.148 4.320 0.001 0.000 0.205 463 K C 0.652 177.276 176.600 0.040 0.000 1.049 463 K CA 1.790 58.078 56.287 0.002 0.000 0.936 463 K CB 0.313 32.795 32.500 -0.030 0.000 0.722 463 K HN -0.089 nan 8.250 nan 0.000 0.446 464 D N 0.096 120.506 120.400 0.016 0.000 2.423 464 D HA 0.067 4.707 4.640 0.001 0.000 0.208 464 D C 0.180 176.494 176.300 0.024 0.000 1.068 464 D CA -0.074 53.939 54.000 0.022 0.000 0.860 464 D CB 0.292 41.090 40.800 -0.005 0.000 0.992 464 D HN 0.061 nan 8.370 nan 0.000 0.504 465 I N 1.860 122.450 120.570 0.034 0.000 2.828 465 I HA -0.025 4.146 4.170 0.001 0.000 0.292 465 I C 0.832 176.932 176.117 -0.029 0.000 1.206 465 I CA 0.999 62.288 61.300 -0.018 0.000 1.420 465 I CB -0.655 37.362 38.000 0.028 0.000 1.368 465 I HN -0.137 nan 8.210 nan 0.000 0.556 466 T N 6.935 121.349 114.554 -0.234 0.000 2.903 466 T HA 0.625 4.976 4.350 0.001 0.000 0.299 466 T C -1.000 173.469 174.700 -0.385 0.000 1.093 466 T CA -0.398 61.583 62.100 -0.197 0.000 1.002 466 T CB 0.870 69.702 68.868 -0.060 0.000 1.127 466 T HN 0.162 nan 8.240 nan 0.000 0.488 467 F N 3.352 123.363 119.950 0.102 0.000 2.564 467 F HA 0.468 4.996 4.527 0.001 0.000 0.361 467 F C 0.070 175.932 175.800 0.102 0.000 1.161 467 F CA -0.979 57.117 58.000 0.159 0.000 1.198 467 F CB 0.571 39.678 39.000 0.179 0.000 1.424 467 F HN 0.426 nan 8.300 nan 0.000 0.517 468 N N 2.346 121.062 118.700 0.025 0.000 2.546 468 N HA 0.432 5.172 4.740 0.001 0.000 0.238 468 N C -1.437 173.869 175.510 -0.340 0.000 0.984 468 N CA -0.375 52.627 53.050 -0.080 0.000 0.935 468 N CB 0.770 39.197 38.487 -0.100 0.000 1.122 468 N HN 0.255 nan 8.380 nan 0.000 0.510 469 Y N -0.503 119.840 120.300 0.072 0.000 2.553 469 Y HA 0.415 4.966 4.550 0.001 0.000 0.347 469 Y C 0.474 176.392 175.900 0.030 0.000 1.019 469 Y CA -1.057 57.073 58.100 0.050 0.000 1.032 469 Y CB 1.417 39.909 38.460 0.053 0.000 1.284 469 Y HN 0.165 nan 8.280 nan 0.000 0.466 470 T N 1.522 116.182 114.554 0.175 0.000 2.928 470 T HA 0.134 4.484 4.350 0.001 0.000 0.305 470 T C 0.174 174.929 174.700 0.091 0.000 1.035 470 T CA -0.168 61.992 62.100 0.100 0.000 1.145 470 T CB 0.265 69.178 68.868 0.076 0.000 0.963 470 T HN 0.552 nan 8.240 nan 0.000 0.545 471 S N 1.707 117.441 115.700 0.058 0.000 2.585 471 S HA 0.198 4.669 4.470 0.001 0.000 0.273 471 S C 1.805 176.431 174.600 0.042 0.000 1.339 471 S CA -0.529 57.697 58.200 0.042 0.000 1.028 471 S CB 1.034 64.248 63.200 0.022 0.000 0.906 471 S HN 0.934 nan 8.310 nan 0.000 0.528 472 T N -1.492 113.086 114.554 0.040 0.000 3.021 472 T HA 0.082 4.433 4.350 0.001 0.000 0.245 472 T C 0.271 175.007 174.700 0.059 0.000 1.028 472 T CA 0.225 62.351 62.100 0.044 0.000 1.139 472 T CB -0.211 68.679 68.868 0.036 0.000 0.884 472 T HN 0.490 nan 8.240 nan 0.000 0.457 473 D N 1.992 122.432 120.400 0.066 0.000 2.467 473 D HA 0.409 5.049 4.640 0.001 0.000 0.220 473 D C -0.760 175.585 176.300 0.073 0.000 1.103 473 D CA -0.087 53.969 54.000 0.093 0.000 0.886 473 D CB 0.683 41.560 40.800 0.128 0.000 1.025 473 D HN 0.201 nan 8.370 nan 0.000 0.514 474 T N 1.240 115.837 114.554 0.071 0.000 2.940 474 T HA 0.404 4.754 4.350 0.001 0.000 0.288 474 T C -0.166 174.578 174.700 0.073 0.000 1.045 474 T CA -0.723 61.407 62.100 0.050 0.000 1.018 474 T CB 1.557 70.446 68.868 0.035 0.000 1.151 474 T HN 0.218 nan 8.240 nan 0.000 0.529 475 S N -0.123 115.609 115.700 0.054 0.000 2.593 475 S HA 0.134 4.605 4.470 0.001 0.000 0.269 475 S C 0.297 174.949 174.600 0.087 0.000 1.334 475 S CA -0.338 57.913 58.200 0.085 0.000 1.015 475 S CB 0.167 63.398 63.200 0.051 0.000 0.912 475 S HN 0.650 nan 8.310 nan 0.000 0.541 476 D N 1.477 121.962 120.400 0.142 0.000 2.423 476 D HA 0.126 4.767 4.640 0.001 0.000 0.208 476 D C -0.463 175.653 176.300 -0.308 0.000 1.068 476 D CA 0.581 54.544 54.000 -0.062 0.000 0.860 476 D CB 0.232 41.013 40.800 -0.031 0.000 0.992 476 D HN 0.522 nan 8.370 nan 0.000 0.504 477 F N 1.723 121.684 119.950 0.017 0.000 2.627 477 F HA 0.188 4.715 4.527 0.001 0.000 0.329 477 F C 0.522 176.303 175.800 -0.030 0.000 1.378 477 F CA -0.904 57.090 58.000 -0.010 0.000 1.134 477 F CB 0.165 39.135 39.000 -0.049 0.000 1.229 477 F HN -0.332 nan 8.300 nan 0.000 0.537 478 V N 0.000 119.969 119.914 0.092 0.000 2.409 478 V HA 0.000 4.120 4.120 0.001 0.000 0.244 478 V CA 0.000 62.331 62.300 0.052 0.000 1.235 478 V CB 0.000 31.838 31.823 0.024 0.000 1.184 478 V HN 0.000 nan 8.190 nan 0.000 0.556