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 3npc_1_A DATA FIRST_RESID 7 DATA SEQUENCE DNQFYSVEVA DSTFTVLKRY QQLKPIGSGA QGIVCAAFDT VLGINVAVKK DATA SEQUENCE LSRPFQNQTH AKRAYRELVL LKCVNHKNII SLLNVFTPQK TLEEFQDVYL DATA SEQUENCE VMELMDANLC QVIHMELDHE RMSYLLYQML CGIKHLHSAG IIHRDLKPSN DATA SEQUENCE IVVKSDCTLK ILDFGLARTA CTNFMMTPYV VTRYYRAPEV ILGMGYAANV DATA SEQUENCE DIWSVGCIMG ELVKGCVIFQ GTDHIDQWNK VIEQLGTPSA EFMAALQPTV DATA SEQUENCE RNYVENRPKY PGIKFEELFP DWIFPSESER DKIKTSQARD LLSKMLVIDP DATA SEQUENCE DKRISVDEAL RHPYITVWYD PAEAEAPPPQ IYDAQLEERE HAIEEWKELI DATA SEQUENCE YKEVMDW 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 7 D HA 0.000 nan 4.640 nan 0.000 0.175 7 D C 0.000 176.354 176.300 0.091 0.000 2.045 7 D CA 0.000 54.070 54.000 0.117 0.000 0.868 7 D CB 0.000 40.891 40.800 0.152 0.000 0.688 8 N N -0.281 118.480 118.700 0.100 0.000 2.713 8 N HA -0.214 4.527 4.740 0.001 0.000 0.251 8 N C 0.157 175.686 175.510 0.031 0.000 1.117 8 N CA 1.637 54.729 53.050 0.069 0.000 0.770 8 N CB -0.823 37.686 38.487 0.036 0.000 1.137 8 N HN 0.479 nan 8.380 nan 0.000 0.566 9 Q N -1.817 118.003 119.800 0.033 0.000 2.376 9 Q HA 0.205 4.545 4.340 0.001 0.000 0.206 9 Q C -0.152 175.628 176.000 -0.366 0.000 0.921 9 Q CA 0.651 56.331 55.803 -0.205 0.000 0.911 9 Q CB 0.350 28.878 28.738 -0.349 0.000 1.032 9 Q HN 0.394 nan 8.270 nan 0.000 0.510 10 F N 0.210 120.176 119.950 0.027 0.000 2.492 10 F HA 0.431 4.958 4.527 0.001 0.000 0.327 10 F C -0.391 175.500 175.800 0.151 0.000 1.079 10 F CA -1.528 56.503 58.000 0.052 0.000 0.967 10 F CB 1.282 40.288 39.000 0.011 0.000 1.169 10 F HN -0.075 nan 8.300 nan 0.000 0.472 11 Y N -1.188 119.227 120.300 0.191 0.000 2.581 11 Y HA 0.825 5.376 4.550 0.001 0.000 0.345 11 Y C -1.171 174.826 175.900 0.161 0.000 1.036 11 Y CA -1.515 56.668 58.100 0.139 0.000 1.042 11 Y CB 1.353 39.862 38.460 0.082 0.000 1.289 11 Y HN 0.411 nan 8.280 nan 0.000 0.471 12 S N 1.573 117.279 115.700 0.010 0.000 2.537 12 S HA 0.760 5.230 4.470 0.001 0.000 0.301 12 S C -1.420 173.185 174.600 0.008 0.000 1.092 12 S CA -0.743 57.422 58.200 -0.059 0.000 1.048 12 S CB 1.705 64.934 63.200 0.047 0.000 1.053 12 S HN 0.841 nan 8.310 nan 0.000 0.501 13 V N 2.202 122.120 119.914 0.006 0.000 2.888 13 V HA 0.480 4.601 4.120 0.001 0.000 0.309 13 V C -0.918 175.238 176.094 0.103 0.000 1.114 13 V CA -0.862 61.492 62.300 0.089 0.000 0.940 13 V CB 2.007 33.896 31.823 0.111 0.000 1.021 13 V HN 0.970 nan 8.190 nan 0.000 0.426 14 E N 4.172 124.421 120.200 0.083 0.000 2.180 14 E HA 0.531 4.882 4.350 0.001 0.000 0.283 14 E C -1.486 175.140 176.600 0.043 0.000 1.061 14 E CA -0.227 56.214 56.400 0.069 0.000 0.861 14 E CB 1.159 30.885 29.700 0.044 0.000 1.056 14 E HN 0.585 nan 8.360 nan 0.000 0.407 15 V N 4.142 124.095 119.914 0.065 0.000 2.577 15 V HA 0.594 4.715 4.120 0.001 0.000 0.303 15 V C 0.554 176.663 176.094 0.024 0.000 1.042 15 V CA 0.012 62.303 62.300 -0.015 0.000 0.872 15 V CB 0.595 32.300 31.823 -0.198 0.000 0.998 15 V HN 1.088 nan 8.190 nan 0.000 0.423 16 A N 4.155 126.944 122.820 -0.051 0.000 5.585 16 A HA -0.226 4.094 4.320 0.001 0.000 0.295 16 A C 0.730 178.296 177.584 -0.030 0.000 1.985 16 A CA 1.422 53.421 52.037 -0.064 0.000 0.716 16 A CB -1.466 17.520 19.000 -0.024 0.000 1.237 16 A HN 0.812 nan 8.150 nan 0.000 0.371 17 D N 0.672 121.063 120.400 -0.015 0.000 2.587 17 D HA 0.512 5.153 4.640 0.001 0.000 0.233 17 D C 0.108 176.414 176.300 0.010 0.000 1.213 17 D CA 1.190 55.184 54.000 -0.010 0.000 0.827 17 D CB 0.399 41.185 40.800 -0.022 0.000 1.006 17 D HN 0.596 nan 8.370 nan 0.000 0.490 18 S N -1.380 114.347 115.700 0.045 0.000 2.794 18 S HA 0.628 5.099 4.470 0.001 0.000 0.299 18 S C -1.066 173.606 174.600 0.120 0.000 1.179 18 S CA -0.424 57.815 58.200 0.066 0.000 0.838 18 S CB 1.646 64.893 63.200 0.078 0.000 1.206 18 S HN -0.061 nan 8.310 nan 0.000 0.523 19 T N 2.095 116.723 114.554 0.125 0.000 2.841 19 T HA 0.544 4.895 4.350 0.001 0.000 0.285 19 T C -1.493 173.344 174.700 0.229 0.000 0.991 19 T CA -0.158 62.039 62.100 0.162 0.000 0.966 19 T CB 0.472 69.389 68.868 0.082 0.000 0.962 19 T HN 0.332 nan 8.240 nan 0.000 0.438 20 F N 2.668 122.664 119.950 0.078 0.000 2.371 20 F HA 0.363 4.890 4.527 0.001 0.000 0.363 20 F C 0.973 176.779 175.800 0.009 0.000 1.122 20 F CA -0.607 57.486 58.000 0.154 0.000 1.129 20 F CB 1.017 40.096 39.000 0.132 0.000 1.173 20 F HN 0.384 nan 8.300 nan 0.000 0.489 21 T N 4.870 119.486 114.554 0.103 0.000 2.781 21 T HA 0.579 4.929 4.350 0.001 0.000 0.305 21 T C -0.350 174.288 174.700 -0.103 0.000 1.001 21 T CA -0.533 61.554 62.100 -0.021 0.000 0.950 21 T CB 0.477 69.353 68.868 0.012 0.000 0.955 21 T HN 0.399 nan 8.240 nan 0.000 0.471 22 V N 1.546 121.455 119.914 -0.008 0.000 3.130 22 V HA 0.670 4.791 4.120 0.001 0.000 0.310 22 V C -0.321 175.814 176.094 0.068 0.000 1.158 22 V CA -1.639 60.753 62.300 0.153 0.000 1.029 22 V CB 1.362 33.325 31.823 0.234 0.000 1.057 22 V HN 0.712 nan 8.190 nan 0.000 0.436 23 L N 2.014 123.036 121.223 -0.334 0.000 2.525 23 L HA 0.193 4.533 4.340 0.001 0.000 0.278 23 L C 1.778 178.543 176.870 -0.175 0.000 1.218 23 L CA 0.139 54.605 54.840 -0.624 0.000 0.878 23 L CB 0.190 41.713 42.059 -0.893 0.000 1.127 23 L HN 0.804 nan 8.230 nan 0.000 0.492 24 K N 2.556 122.878 120.400 -0.130 0.000 2.286 24 K HA -0.220 4.101 4.320 0.001 0.000 0.203 24 K C 1.929 178.451 176.600 -0.131 0.000 1.045 24 K CA 1.538 57.818 56.287 -0.010 0.000 0.935 24 K CB -0.185 32.249 32.500 -0.110 0.000 0.737 24 K HN 0.590 nan 8.250 nan 0.000 0.460 25 R N 0.292 120.596 120.500 -0.327 0.000 2.159 25 R HA -0.139 4.201 4.340 0.001 0.000 0.237 25 R C -0.014 176.053 176.300 -0.387 0.000 1.131 25 R CA 1.035 56.873 56.100 -0.437 0.000 0.982 25 R CB -0.473 29.438 30.300 -0.649 0.000 0.868 25 R HN 0.065 nan 8.270 nan 0.000 0.453 26 Y N 1.495 121.825 120.300 0.051 0.000 2.383 26 Y HA 0.366 4.917 4.550 0.001 0.000 0.344 26 Y C 0.167 176.207 175.900 0.234 0.000 0.986 26 Y CA -0.888 57.287 58.100 0.124 0.000 1.175 26 Y CB 1.020 39.570 38.460 0.150 0.000 1.152 26 Y HN 0.041 nan 8.280 nan 0.000 0.511 27 Q N 1.096 121.098 119.800 0.337 0.000 2.416 27 Q HA 0.426 4.767 4.340 0.001 0.000 0.279 27 Q C -0.961 175.198 176.000 0.266 0.000 1.101 27 Q CA -0.815 55.154 55.803 0.277 0.000 0.830 27 Q CB 1.480 30.349 28.738 0.219 0.000 1.402 27 Q HN 0.610 nan 8.270 nan 0.000 0.445 28 Q N 0.672 120.590 119.800 0.196 0.000 2.460 28 Q HA -0.217 4.124 4.340 0.001 0.000 0.311 28 Q C -0.966 175.106 176.000 0.120 0.000 1.396 28 Q CA 0.044 55.929 55.803 0.136 0.000 0.838 28 Q CB -1.747 27.056 28.738 0.108 0.000 1.140 28 Q HN 0.362 nan 8.270 nan 0.000 0.415 29 L N 1.265 122.554 121.223 0.111 0.000 2.418 29 L HA 0.161 4.502 4.340 0.001 0.000 0.274 29 L C 0.516 177.371 176.870 -0.026 0.000 1.135 29 L CA 1.303 56.157 54.840 0.023 0.000 0.870 29 L CB 0.628 42.663 42.059 -0.040 0.000 1.154 29 L HN 0.068 nan 8.230 nan 0.000 0.462 30 K N 5.656 126.037 120.400 -0.031 0.000 2.463 30 K HA 0.430 4.751 4.320 0.001 0.000 0.255 30 K C -2.481 174.107 176.600 -0.021 0.000 0.942 30 K CA -1.752 54.526 56.287 -0.016 0.000 0.814 30 K CB 1.972 34.490 32.500 0.031 0.000 1.122 30 K HN 0.252 nan 8.250 nan 0.000 0.425 31 P HA 0.051 nan 4.420 nan 0.000 0.271 31 P C 0.051 177.495 177.300 0.241 0.000 1.220 31 P CA 0.110 63.235 63.100 0.042 0.000 0.768 31 P CB 0.452 32.136 31.700 -0.027 0.000 0.848 32 I N -0.107 120.608 120.570 0.242 0.000 4.439 32 I HA 0.540 4.711 4.170 0.001 0.000 0.331 32 I C 0.350 176.605 176.117 0.230 0.000 1.345 32 I CA -0.283 61.155 61.300 0.230 0.000 1.193 32 I CB 0.892 38.976 38.000 0.139 0.000 1.221 32 I HN 0.324 nan 8.210 nan 0.000 0.429 33 G N 0.526 109.516 108.800 0.315 0.000 2.752 33 G HA2 0.527 4.487 3.960 0.001 0.000 0.298 33 G HA3 0.527 4.487 3.960 0.001 0.000 0.298 33 G C -1.809 173.230 174.900 0.231 0.000 1.434 33 G CA -0.230 45.023 45.100 0.255 0.000 1.004 33 G HN 0.062 nan 8.290 nan 0.000 0.560 34 S N -0.377 115.398 115.700 0.124 0.000 2.556 34 S HA 0.956 5.426 4.470 0.001 0.000 0.271 34 S C 0.014 174.612 174.600 -0.003 0.000 1.135 34 S CA 0.351 58.612 58.200 0.102 0.000 0.858 34 S CB 1.781 65.073 63.200 0.153 0.000 1.114 34 S HN 2.100 nan 8.310 nan 0.000 0.468 35 G N 0.675 109.471 108.800 -0.006 0.000 2.548 35 G HA2 0.605 4.566 3.960 0.001 0.000 0.301 35 G HA3 0.605 4.566 3.960 0.001 0.000 0.301 35 G C 0.405 175.289 174.900 -0.027 0.000 1.349 35 G CA 0.074 45.146 45.100 -0.047 0.000 0.792 35 G HN 1.102 nan 8.290 nan 0.000 0.481 36 A N -0.787 122.010 122.820 -0.039 0.000 2.014 36 A HA 0.058 4.379 4.320 0.001 0.000 0.218 36 A C 2.090 179.683 177.584 0.015 0.000 1.163 36 A CA 2.235 54.271 52.037 -0.002 0.000 0.652 36 A CB -0.431 18.564 19.000 -0.008 0.000 0.808 36 A HN 0.842 nan 8.150 nan 0.000 0.449 37 Q N -1.596 118.157 119.800 -0.079 0.000 2.408 37 Q HA 0.417 4.758 4.340 0.001 0.000 0.205 37 Q C 0.563 176.529 176.000 -0.056 0.000 0.919 37 Q CA 0.687 56.421 55.803 -0.116 0.000 0.932 37 Q CB 0.155 28.780 28.738 -0.187 0.000 1.058 37 Q HN 0.480 nan 8.270 nan 0.000 0.517 38 G N 0.219 109.001 108.800 -0.030 0.000 2.387 38 G HA2 0.488 4.449 3.960 0.001 0.000 0.294 38 G HA3 0.488 4.449 3.960 0.001 0.000 0.294 38 G C -1.906 173.023 174.900 0.048 0.000 1.509 38 G CA -0.944 44.147 45.100 -0.016 0.000 0.806 38 G HN 0.135 nan 8.290 nan 0.000 0.546 39 I N 0.255 120.880 120.570 0.090 0.000 2.569 39 I HA 0.496 4.667 4.170 0.001 0.000 0.290 39 I C -0.565 175.733 176.117 0.302 0.000 1.088 39 I CA -1.147 60.280 61.300 0.212 0.000 1.047 39 I CB 2.491 40.666 38.000 0.290 0.000 1.237 39 I HN 0.269 nan 8.210 nan 0.000 0.421 40 V N 4.775 124.854 119.914 0.274 0.000 2.448 40 V HA 0.421 4.541 4.120 0.001 0.000 0.295 40 V C -0.409 175.761 176.094 0.127 0.000 1.025 40 V CA -0.502 61.928 62.300 0.217 0.000 0.859 40 V CB 1.637 33.579 31.823 0.199 0.000 0.988 40 V HN 0.797 nan 8.190 nan 0.000 0.431 41 C N 3.668 122.988 119.300 0.033 0.000 2.435 41 C HA 0.849 5.310 4.460 0.001 0.000 0.333 41 C C 0.849 175.830 174.990 -0.015 0.000 1.202 41 C CA -0.769 58.202 59.018 -0.079 0.000 1.830 41 C CB 1.283 28.824 27.740 -0.331 0.000 2.326 41 C HN 1.004 nan 8.230 nan 0.000 0.507 42 A N 1.989 124.813 122.820 0.006 0.000 2.354 42 A HA 0.789 5.110 4.320 0.001 0.000 0.269 42 A C 0.006 177.620 177.584 0.050 0.000 1.109 42 A CA 0.111 52.166 52.037 0.031 0.000 0.800 42 A CB 0.291 19.320 19.000 0.047 0.000 1.045 42 A HN 1.520 nan 8.150 nan 0.000 0.489 43 A N 1.062 123.936 122.820 0.090 0.000 2.606 43 A HA 0.659 4.980 4.320 0.001 0.000 0.293 43 A C -1.147 176.580 177.584 0.238 0.000 1.082 43 A CA -0.492 51.642 52.037 0.162 0.000 0.685 43 A CB 0.754 19.854 19.000 0.166 0.000 1.284 43 A HN 1.345 nan 8.150 nan 0.000 0.408 44 F N 1.612 121.636 119.950 0.123 0.000 2.405 44 F HA 0.444 4.971 4.527 0.001 0.000 0.355 44 F C -0.032 175.867 175.800 0.164 0.000 1.121 44 F CA -0.276 57.791 58.000 0.112 0.000 1.112 44 F CB 0.904 39.945 39.000 0.069 0.000 1.126 44 F HN 0.560 nan 8.300 nan 0.000 0.481 45 D N 4.642 124.772 120.400 -0.449 0.000 2.365 45 D HA 0.039 4.680 4.640 0.001 0.000 0.237 45 D C 1.305 177.111 176.300 -0.824 0.000 1.190 45 D CA 0.101 53.876 54.000 -0.374 0.000 0.867 45 D CB 1.357 42.094 40.800 -0.105 0.000 1.050 45 D HN 0.754 nan 8.370 nan 0.000 0.491 46 T N 0.359 114.592 114.554 -0.534 0.000 2.833 46 T HA -0.122 4.229 4.350 0.001 0.000 0.269 46 T C 1.879 176.440 174.700 -0.232 0.000 1.054 46 T CA 0.916 62.827 62.100 -0.313 0.000 1.135 46 T CB -0.180 68.668 68.868 -0.032 0.000 0.869 46 T HN 0.179 nan 8.240 nan 0.000 0.466 47 V N 0.931 120.697 119.914 -0.246 0.000 2.323 47 V HA 0.035 4.155 4.120 0.001 0.000 0.244 47 V C 2.586 178.596 176.094 -0.141 0.000 1.041 47 V CA 1.035 63.233 62.300 -0.170 0.000 1.025 47 V CB -0.623 31.092 31.823 -0.180 0.000 0.656 47 V HN 0.327 nan 8.190 nan 0.000 0.451 48 L N 0.673 121.796 121.223 -0.166 0.000 2.395 48 L HA 0.264 4.604 4.340 0.001 0.000 0.218 48 L C 1.836 178.632 176.870 -0.124 0.000 1.130 48 L CA 1.568 56.341 54.840 -0.112 0.000 0.826 48 L CB -1.178 40.837 42.059 -0.073 0.000 0.941 48 L HN 0.567 nan 8.230 nan 0.000 0.451 49 G N 0.375 109.028 108.800 -0.245 0.000 2.176 49 G HA2 -0.275 3.686 3.960 0.001 0.000 0.252 49 G HA3 -0.275 3.686 3.960 0.001 0.000 0.252 49 G C 0.363 175.222 174.900 -0.069 0.000 1.024 49 G CA 0.683 45.695 45.100 -0.147 0.000 0.755 49 G HN 0.502 nan 8.290 nan 0.000 0.507 50 I N -4.143 116.273 120.570 -0.257 0.000 2.934 50 I HA 0.658 4.829 4.170 0.001 0.000 0.306 50 I C -0.390 175.699 176.117 -0.047 0.000 1.110 50 I CA -1.718 59.564 61.300 -0.030 0.000 1.019 50 I CB 1.599 39.599 38.000 0.001 0.000 1.227 50 I HN -0.151 nan 8.210 nan 0.000 0.434 51 N N 2.798 121.590 118.700 0.154 0.000 2.492 51 N HA 0.451 5.192 4.740 0.001 0.000 0.260 51 N C -0.392 175.161 175.510 0.073 0.000 1.215 51 N CA -0.084 53.063 53.050 0.162 0.000 0.923 51 N CB 1.630 40.217 38.487 0.167 0.000 1.092 51 N HN 0.605 nan 8.380 nan 0.000 0.448 52 V N -1.888 118.067 119.914 0.069 0.000 3.141 52 V HA 0.950 5.071 4.120 0.001 0.000 0.312 52 V C -0.578 175.516 176.094 -0.000 0.000 1.157 52 V CA -1.293 61.022 62.300 0.024 0.000 1.041 52 V CB 1.570 33.406 31.823 0.022 0.000 1.071 52 V HN 0.630 nan 8.190 nan 0.000 0.441 53 A N 1.438 124.235 122.820 -0.040 0.000 2.303 53 A HA 0.845 5.166 4.320 0.001 0.000 0.320 53 A C -0.694 176.848 177.584 -0.071 0.000 1.192 53 A CA -0.649 51.358 52.037 -0.052 0.000 0.821 53 A CB 1.392 20.341 19.000 -0.084 0.000 1.188 53 A HN 1.386 nan 8.150 nan 0.000 0.492 54 V N 3.172 123.071 119.914 -0.025 0.000 2.357 54 V HA 0.349 4.469 4.120 0.001 0.000 0.284 54 V C 0.178 176.356 176.094 0.141 0.000 1.018 54 V CA -0.611 61.700 62.300 0.019 0.000 0.841 54 V CB 1.287 33.151 31.823 0.068 0.000 0.991 54 V HN 0.881 nan 8.190 nan 0.000 0.437 55 K N 4.803 125.224 120.400 0.034 0.000 2.253 55 K HA 0.369 4.690 4.320 0.001 0.000 0.277 55 K C -0.181 176.341 176.600 -0.130 0.000 1.053 55 K CA -0.576 55.722 56.287 0.018 0.000 0.892 55 K CB 0.772 33.248 32.500 -0.040 0.000 1.102 55 K HN 0.633 nan 8.250 nan 0.000 0.469 56 K N 6.054 126.334 120.400 -0.200 0.000 2.248 56 K HA 0.201 4.522 4.320 0.001 0.000 0.281 56 K C -0.887 175.442 176.600 -0.452 0.000 1.054 56 K CA -0.492 55.377 56.287 -0.697 0.000 0.903 56 K CB 0.538 32.310 32.500 -1.213 0.000 1.077 56 K HN 0.564 nan 8.250 nan 0.000 0.474 57 L N 3.662 124.604 121.223 -0.467 0.000 2.255 57 L HA 0.235 4.576 4.340 0.001 0.000 0.289 57 L C -0.158 176.486 176.870 -0.377 0.000 1.046 57 L CA -0.568 54.088 54.840 -0.307 0.000 0.816 57 L CB 1.589 43.526 42.059 -0.204 0.000 1.197 57 L HN 0.555 nan 8.230 nan 0.000 0.427 58 S N 3.040 118.544 115.700 -0.327 0.000 2.523 58 S HA 0.201 4.672 4.470 0.001 0.000 0.275 58 S C 0.161 174.517 174.600 -0.407 0.000 1.281 58 S CA -0.812 57.175 58.200 -0.354 0.000 1.050 58 S CB 0.651 63.684 63.200 -0.280 0.000 0.937 58 S HN 0.732 nan 8.310 nan 0.000 0.492 59 R N 1.580 121.760 120.500 -0.532 0.000 1.748 59 R HA -0.154 4.187 4.340 0.001 0.000 0.182 59 R C -2.137 173.626 176.300 -0.895 0.000 0.538 59 R CA 0.057 55.601 56.100 -0.926 0.000 0.416 59 R CB -1.458 28.210 30.300 -1.053 0.000 1.639 59 R HN 0.390 nan 8.270 nan 0.000 0.564 60 P HA -0.175 nan 4.420 nan 0.000 0.231 60 P C 0.602 177.794 177.300 -0.181 0.000 1.158 60 P CA 1.069 64.027 63.100 -0.238 0.000 0.763 60 P CB -0.104 31.557 31.700 -0.065 0.000 0.805 61 F N 0.005 119.894 119.950 -0.103 0.000 2.749 61 F HA 0.201 4.729 4.527 0.001 0.000 0.300 61 F C 2.336 178.086 175.800 -0.083 0.000 1.103 61 F CA -0.520 57.445 58.000 -0.059 0.000 1.342 61 F CB -1.620 37.392 39.000 0.020 0.000 1.098 61 F HN -0.112 nan 8.300 nan 0.000 0.586 62 Q N 2.528 122.083 119.800 -0.407 0.000 2.197 62 Q HA -0.263 4.078 4.340 0.001 0.000 0.211 62 Q C -0.286 175.634 176.000 -0.134 0.000 0.993 62 Q CA 1.907 57.535 55.803 -0.291 0.000 0.883 62 Q CB -0.962 27.494 28.738 -0.470 0.000 0.916 62 Q HN 0.721 nan 8.270 nan 0.000 0.418 63 N N -2.543 116.088 118.700 -0.115 0.000 2.853 63 N HA 0.079 4.819 4.740 0.001 0.000 0.258 63 N C -0.085 175.414 175.510 -0.017 0.000 1.444 63 N CA -0.741 52.297 53.050 -0.020 0.000 0.837 63 N CB 0.577 39.055 38.487 -0.014 0.000 1.489 63 N HN -0.202 nan 8.380 nan 0.000 0.529 64 Q N -0.378 119.427 119.800 0.009 0.000 2.124 64 Q HA -0.072 4.269 4.340 0.001 0.000 0.202 64 Q C 0.998 176.911 176.000 -0.146 0.000 0.977 64 Q CA 2.260 58.040 55.803 -0.040 0.000 0.850 64 Q CB -0.636 28.162 28.738 0.100 0.000 0.901 64 Q HN 0.813 nan 8.270 nan 0.000 0.429 65 T N 0.540 115.064 114.554 -0.049 0.000 2.737 65 T HA -0.120 4.230 4.350 0.001 0.000 0.265 65 T C 1.683 176.298 174.700 -0.141 0.000 1.038 65 T CA 1.058 63.112 62.100 -0.076 0.000 1.144 65 T CB -0.297 68.551 68.868 -0.034 0.000 0.866 65 T HN 0.409 nan 8.240 nan 0.000 0.434 66 H N 0.730 119.691 119.070 -0.181 0.000 2.353 66 H HA 0.038 4.595 4.556 0.001 0.000 0.300 66 H C 2.653 177.831 175.328 -0.250 0.000 1.090 66 H CA 1.322 57.256 56.048 -0.190 0.000 1.327 66 H CB -0.204 29.447 29.762 -0.186 0.000 1.383 66 H HN 0.380 nan 8.280 nan 0.000 0.508 67 A N 1.425 124.096 122.820 -0.248 0.000 1.877 67 A HA -0.176 4.145 4.320 0.001 0.000 0.216 67 A C 2.343 179.486 177.584 -0.734 0.000 1.186 67 A CA 1.538 53.281 52.037 -0.490 0.000 0.620 67 A CB -0.418 18.081 19.000 -0.835 0.000 0.822 67 A HN 0.246 nan 8.150 nan 0.000 0.443 68 K N -0.603 119.229 120.400 -0.947 0.000 2.097 68 K HA -0.127 4.193 4.320 0.001 0.000 0.206 68 K C 2.284 178.790 176.600 -0.158 0.000 1.049 68 K CA 1.348 57.253 56.287 -0.637 0.000 0.933 68 K CB -0.128 32.179 32.500 -0.322 0.000 0.717 68 K HN 0.440 nan 8.250 nan 0.000 0.442 69 R N -0.433 119.971 120.500 -0.161 0.000 2.093 69 R HA -0.010 4.331 4.340 0.001 0.000 0.224 69 R C 2.317 178.587 176.300 -0.050 0.000 1.101 69 R CA 0.970 57.017 56.100 -0.089 0.000 0.979 69 R CB -0.144 30.075 30.300 -0.135 0.000 0.877 69 R HN 0.164 nan 8.270 nan 0.000 0.441 70 A N 0.317 123.110 122.820 -0.044 0.000 1.898 70 A HA -0.215 4.105 4.320 0.001 0.000 0.216 70 A C 1.951 179.591 177.584 0.093 0.000 1.181 70 A CA 1.147 53.193 52.037 0.015 0.000 0.620 70 A CB -0.680 18.343 19.000 0.039 0.000 0.819 70 A HN 0.430 nan 8.150 nan 0.000 0.442 71 Y N 0.241 120.560 120.300 0.032 0.000 2.163 71 Y HA -0.170 4.380 4.550 0.001 0.000 0.288 71 Y C 2.534 178.520 175.900 0.144 0.000 1.136 71 Y CA 2.112 60.300 58.100 0.147 0.000 1.147 71 Y CB -0.346 38.299 38.460 0.308 0.000 0.987 71 Y HN 0.293 nan 8.280 nan 0.000 0.509 72 R N 0.462 121.033 120.500 0.119 0.000 2.091 72 R HA -0.236 4.104 4.340 0.001 0.000 0.238 72 R C 2.364 178.617 176.300 -0.077 0.000 1.136 72 R CA 1.983 58.107 56.100 0.040 0.000 0.959 72 R CB -0.382 29.973 30.300 0.092 0.000 0.856 72 R HN 0.573 nan 8.270 nan 0.000 0.437 73 E N 0.274 120.436 120.200 -0.063 0.000 2.051 73 E HA -0.207 4.144 4.350 0.001 0.000 0.192 73 E C 2.031 178.584 176.600 -0.079 0.000 0.991 73 E CA 1.357 57.710 56.400 -0.079 0.000 0.799 73 E CB -0.090 29.573 29.700 -0.062 0.000 0.748 73 E HN 0.378 nan 8.360 nan 0.000 0.449 74 L N 0.148 121.324 121.223 -0.078 0.000 2.083 74 L HA -0.183 4.158 4.340 0.001 0.000 0.209 74 L C 2.483 179.313 176.870 -0.066 0.000 1.083 74 L CA 0.739 55.543 54.840 -0.059 0.000 0.752 74 L CB -0.239 41.798 42.059 -0.037 0.000 0.899 74 L HN 0.120 nan 8.230 nan 0.000 0.433 75 V N -0.305 119.510 119.914 -0.165 0.000 2.379 75 V HA -0.229 3.892 4.120 0.001 0.000 0.245 75 V C 2.320 178.416 176.094 0.004 0.000 1.044 75 V CA 1.368 63.606 62.300 -0.102 0.000 1.036 75 V CB -0.237 31.472 31.823 -0.189 0.000 0.664 75 V HN 0.308 nan 8.190 nan 0.000 0.453 76 L N -0.611 120.558 121.223 -0.089 0.000 2.017 76 L HA -0.187 4.154 4.340 0.001 0.000 0.208 76 L C 2.337 179.182 176.870 -0.041 0.000 1.073 76 L CA 1.584 56.329 54.840 -0.157 0.000 0.745 76 L CB -0.518 41.366 42.059 -0.292 0.000 0.894 76 L HN 0.283 nan 8.230 nan 0.000 0.432 77 L N -0.254 120.959 121.223 -0.016 0.000 2.275 77 L HA -0.188 4.153 4.340 0.001 0.000 0.215 77 L C 2.569 179.504 176.870 0.109 0.000 1.119 77 L CA 0.923 55.789 54.840 0.043 0.000 0.790 77 L CB -0.424 41.656 42.059 0.035 0.000 0.919 77 L HN 0.260 nan 8.230 nan 0.000 0.443 78 K N -0.228 120.234 120.400 0.104 0.000 2.217 78 K HA -0.122 4.199 4.320 0.001 0.000 0.202 78 K C 1.867 178.525 176.600 0.096 0.000 1.051 78 K CA 1.131 57.488 56.287 0.116 0.000 0.952 78 K CB 0.001 32.559 32.500 0.096 0.000 0.736 78 K HN 0.348 nan 8.250 nan 0.000 0.453 79 C N 1.017 120.375 119.300 0.096 0.000 2.618 79 C HA 0.155 4.616 4.460 0.001 0.000 0.264 79 C C 0.811 175.874 174.990 0.122 0.000 1.334 79 C CA -0.653 58.425 59.018 0.100 0.000 1.731 79 C CB -0.827 26.982 27.740 0.115 0.000 1.852 79 C HN 0.307 nan 8.230 nan 0.000 0.566 80 V N 0.007 120.016 119.914 0.159 0.000 2.769 80 V HA 0.744 4.865 4.120 0.001 0.000 0.312 80 V C -0.719 175.521 176.094 0.245 0.000 1.058 80 V CA -0.464 62.011 62.300 0.292 0.000 0.952 80 V CB 1.831 33.798 31.823 0.240 0.000 1.019 80 V HN 0.148 nan 8.190 nan 0.000 0.445 81 N N 1.273 120.136 118.700 0.271 0.000 2.884 81 N HA 0.282 5.023 4.740 0.001 0.000 0.211 81 N C -1.314 174.096 175.510 -0.166 0.000 1.442 81 N CA -0.275 52.812 53.050 0.062 0.000 0.757 81 N CB 0.252 38.807 38.487 0.113 0.000 1.461 81 N HN 1.064 nan 8.380 nan 0.000 0.557 82 H N 0.847 119.701 119.070 -0.360 0.000 2.974 82 H HA 0.244 4.801 4.556 0.001 0.000 0.366 82 H C 0.337 175.527 175.328 -0.230 0.000 1.155 82 H CA -0.390 55.395 56.048 -0.440 0.000 1.186 82 H CB 1.770 31.046 29.762 -0.809 0.000 1.799 82 H HN 0.362 nan 8.280 nan 0.000 0.541 83 K N 1.931 122.099 120.400 -0.388 0.000 2.362 83 K HA -0.028 4.292 4.320 0.001 0.000 0.200 83 K C 0.119 176.696 176.600 -0.038 0.000 1.046 83 K CA 1.625 57.806 56.287 -0.177 0.000 0.952 83 K CB 0.112 32.484 32.500 -0.213 0.000 0.753 83 K HN 0.342 nan 8.250 nan 0.000 0.466 84 N N 0.447 119.244 118.700 0.162 0.000 2.251 84 N HA 0.179 4.920 4.740 0.001 0.000 0.217 84 N C -0.981 174.523 175.510 -0.010 0.000 1.124 84 N CA -0.247 52.832 53.050 0.048 0.000 0.843 84 N CB 0.533 39.017 38.487 -0.004 0.000 1.024 84 N HN 0.070 nan 8.380 nan 0.000 0.501 85 I N 0.854 121.432 120.570 0.013 0.000 2.730 85 I HA 0.284 4.455 4.170 0.001 0.000 0.298 85 I C 0.247 176.361 176.117 -0.005 0.000 1.089 85 I CA -1.300 59.995 61.300 -0.008 0.000 1.041 85 I CB 1.850 39.854 38.000 0.005 0.000 1.235 85 I HN 0.003 nan 8.210 nan 0.000 0.423 86 I N 3.467 124.032 120.570 -0.008 0.000 2.996 86 I HA -0.111 4.060 4.170 0.001 0.000 0.310 86 I C 0.150 176.274 176.117 0.012 0.000 1.225 86 I CA 1.134 62.427 61.300 -0.013 0.000 1.442 86 I CB 0.432 38.416 38.000 -0.027 0.000 1.334 86 I HN 0.615 nan 8.210 nan 0.000 0.550 87 S N 7.331 123.042 115.700 0.019 0.000 2.502 87 S HA 0.517 4.988 4.470 0.001 0.000 0.304 87 S C -0.664 173.982 174.600 0.076 0.000 1.097 87 S CA -0.870 57.366 58.200 0.060 0.000 1.045 87 S CB 1.086 64.318 63.200 0.053 0.000 1.019 87 S HN 0.533 nan 8.310 nan 0.000 0.481 88 L N 5.870 127.173 121.223 0.133 0.000 2.361 88 L HA 0.316 4.657 4.340 0.001 0.000 0.278 88 L C 1.144 178.141 176.870 0.212 0.000 1.113 88 L CA 0.481 55.375 54.840 0.091 0.000 0.849 88 L CB 0.499 42.556 42.059 -0.003 0.000 1.155 88 L HN 0.791 nan 8.230 nan 0.000 0.452 89 L N 2.708 123.993 121.223 0.103 0.000 2.313 89 L HA 0.083 4.424 4.340 0.001 0.000 0.214 89 L C 0.521 177.508 176.870 0.195 0.000 1.119 89 L CA 0.494 55.445 54.840 0.185 0.000 0.809 89 L CB -0.173 41.960 42.059 0.124 0.000 0.933 89 L HN 0.662 nan 8.230 nan 0.000 0.449 90 N N -1.221 117.382 118.700 -0.162 0.000 2.815 90 N HA 0.339 5.080 4.740 0.001 0.000 0.253 90 N C -1.767 173.337 175.510 -0.676 0.000 1.202 90 N CA -0.204 52.638 53.050 -0.347 0.000 0.925 90 N CB 2.491 41.091 38.487 0.188 0.000 1.622 90 N HN -0.324 nan 8.380 nan 0.000 0.497 91 V N 3.160 122.579 119.914 -0.825 0.000 2.623 91 V HA 0.736 4.857 4.120 0.001 0.000 0.304 91 V C -0.906 175.175 176.094 -0.022 0.000 1.054 91 V CA -0.661 61.302 62.300 -0.562 0.000 0.882 91 V CB 1.072 32.351 31.823 -0.906 0.000 1.002 91 V HN 0.591 nan 8.190 nan 0.000 0.424 92 F N 1.268 121.227 119.950 0.014 0.000 2.711 92 F HA 0.896 5.424 4.527 0.001 0.000 0.313 92 F C -0.683 175.268 175.800 0.252 0.000 1.141 92 F CA -0.849 57.241 58.000 0.150 0.000 0.941 92 F CB 2.076 41.205 39.000 0.216 0.000 1.349 92 F HN 0.388 nan 8.300 nan 0.000 0.464 93 T N 1.337 116.196 114.554 0.509 0.000 2.893 93 T HA 0.510 4.861 4.350 0.001 0.000 0.293 93 T C -2.325 172.567 174.700 0.321 0.000 1.027 93 T CA -1.937 60.440 62.100 0.462 0.000 0.988 93 T CB 1.916 71.069 68.868 0.475 0.000 1.043 93 T HN 0.577 nan 8.240 nan 0.000 0.461 94 P HA 0.105 nan 4.420 nan 0.000 0.236 94 P C -0.001 177.074 177.300 -0.374 0.000 1.177 94 P CA 0.268 62.897 63.100 -0.785 0.000 0.773 94 P CB 0.324 31.589 31.700 -0.725 0.000 0.878 95 Q N 0.175 119.982 119.800 0.012 0.000 2.293 95 Q HA 0.166 4.507 4.340 0.001 0.000 0.251 95 Q C 1.342 177.442 176.000 0.168 0.000 0.930 95 Q CA 0.158 56.028 55.803 0.111 0.000 0.893 95 Q CB 0.894 29.781 28.738 0.249 0.000 1.215 95 Q HN -0.129 nan 8.270 nan 0.000 0.425 96 K N 0.193 120.666 120.400 0.121 0.000 2.334 96 K HA 0.102 4.423 4.320 0.001 0.000 0.195 96 K C 0.580 177.280 176.600 0.167 0.000 1.045 96 K CA 0.582 56.950 56.287 0.135 0.000 1.004 96 K CB 0.441 32.993 32.500 0.087 0.000 0.837 96 K HN 0.834 nan 8.250 nan 0.000 0.510 97 T N -2.468 112.146 114.554 0.101 0.000 2.864 97 T HA 0.321 4.672 4.350 0.001 0.000 0.289 97 T C 0.924 175.429 174.700 -0.325 0.000 1.082 97 T CA -0.864 61.234 62.100 -0.004 0.000 1.009 97 T CB 1.247 70.101 68.868 -0.023 0.000 1.234 97 T HN -0.112 nan 8.240 nan 0.000 0.526 98 L N 1.092 121.960 121.223 -0.592 0.000 2.056 98 L HA 0.077 4.417 4.340 0.001 0.000 0.207 98 L C 2.663 179.335 176.870 -0.330 0.000 1.078 98 L CA 2.497 56.849 54.840 -0.815 0.000 0.749 98 L CB -1.142 40.568 42.059 -0.582 0.000 0.901 98 L HN 0.965 nan 8.230 nan 0.000 0.433 99 E N -0.089 119.995 120.200 -0.193 0.000 2.209 99 E HA -0.285 4.065 4.350 0.001 0.000 0.196 99 E C 1.621 178.176 176.600 -0.074 0.000 0.993 99 E CA 1.531 57.861 56.400 -0.116 0.000 0.819 99 E CB -0.469 29.186 29.700 -0.074 0.000 0.745 99 E HN 0.843 nan 8.360 nan 0.000 0.477 100 E N 0.118 120.290 120.200 -0.045 0.000 2.489 100 E HA 0.015 4.366 4.350 0.001 0.000 0.204 100 E C 0.082 176.726 176.600 0.073 0.000 1.006 100 E CA -0.717 55.689 56.400 0.009 0.000 0.936 100 E CB -0.230 29.480 29.700 0.017 0.000 1.002 100 E HN 0.187 nan 8.360 nan 0.000 0.488 101 F N 2.384 122.271 119.950 -0.105 0.000 2.623 101 F HA -0.042 4.485 4.527 0.001 0.000 0.386 101 F C 0.847 176.758 175.800 0.185 0.000 1.068 101 F CA 0.755 58.756 58.000 0.001 0.000 1.265 101 F CB 1.243 40.161 39.000 -0.136 0.000 1.026 101 F HN -0.019 nan 8.300 nan 0.000 0.568 102 Q N 1.850 121.453 119.800 -0.328 0.000 2.536 102 Q HA 0.206 4.546 4.340 0.001 0.000 0.212 102 Q C -1.073 174.626 176.000 -0.501 0.000 0.743 102 Q CA 0.377 56.011 55.803 -0.282 0.000 0.929 102 Q CB 0.541 29.218 28.738 -0.102 0.000 1.313 102 Q HN 0.675 nan 8.270 nan 0.000 0.524 103 D N -0.158 120.078 120.400 -0.272 0.000 2.340 103 D HA 0.492 5.133 4.640 0.001 0.000 0.240 103 D C -0.975 175.333 176.300 0.013 0.000 1.001 103 D CA -0.431 53.435 54.000 -0.223 0.000 0.888 103 D CB 2.438 43.114 40.800 -0.208 0.000 1.310 103 D HN -0.068 nan 8.370 nan 0.000 0.474 104 V N 1.660 121.470 119.914 -0.174 0.000 2.604 104 V HA 0.373 4.494 4.120 0.001 0.000 0.305 104 V C -1.155 174.666 176.094 -0.454 0.000 1.043 104 V CA -0.739 61.516 62.300 -0.075 0.000 0.888 104 V CB 1.257 33.099 31.823 0.032 0.000 0.995 104 V HN 0.409 nan 8.190 nan 0.000 0.429 105 Y N 4.371 124.398 120.300 -0.454 0.000 2.376 105 Y HA 0.715 5.266 4.550 0.001 0.000 0.340 105 Y C -0.160 175.378 175.900 -0.603 0.000 0.965 105 Y CA -0.769 56.938 58.100 -0.654 0.000 1.078 105 Y CB 1.791 39.535 38.460 -1.192 0.000 1.193 105 Y HN 0.413 nan 8.280 nan 0.000 0.452 106 L N 4.320 125.373 121.223 -0.284 0.000 2.341 106 L HA 0.786 5.127 4.340 0.001 0.000 0.278 106 L C -0.972 175.773 176.870 -0.208 0.000 1.005 106 L CA -1.170 53.510 54.840 -0.267 0.000 0.818 106 L CB 1.648 43.580 42.059 -0.211 0.000 1.259 106 L HN 0.283 nan 8.230 nan 0.000 0.418 107 V N 3.755 123.543 119.914 -0.211 0.000 2.495 107 V HA 0.614 4.735 4.120 0.001 0.000 0.298 107 V C 0.006 176.037 176.094 -0.105 0.000 1.031 107 V CA -0.511 61.694 62.300 -0.159 0.000 0.871 107 V CB 1.691 33.422 31.823 -0.152 0.000 0.988 107 V HN 0.896 nan 8.190 nan 0.000 0.432 108 M N 1.294 120.844 119.600 -0.083 0.000 2.667 108 M HA 0.713 5.194 4.480 0.001 0.000 0.286 108 M C -0.495 175.785 176.300 -0.033 0.000 1.270 108 M CA -0.694 54.576 55.300 -0.050 0.000 0.826 108 M CB 2.166 34.726 32.600 -0.068 0.000 1.743 108 M HN 0.562 nan 8.290 nan 0.000 0.460 109 E N 1.240 121.430 120.200 -0.017 0.000 2.376 109 E HA 0.193 4.544 4.350 0.001 0.000 0.266 109 E C -1.416 175.170 176.600 -0.022 0.000 1.009 109 E CA -0.484 55.911 56.400 -0.008 0.000 0.902 109 E CB 0.881 30.580 29.700 -0.002 0.000 0.972 109 E HN 0.656 nan 8.360 nan 0.000 0.439 110 L N 5.943 127.163 121.223 -0.006 0.000 2.369 110 L HA 0.114 4.455 4.340 0.001 0.000 0.279 110 L C -0.163 176.703 176.870 -0.006 0.000 1.108 110 L CA 0.273 55.108 54.840 -0.009 0.000 0.852 110 L CB 0.560 42.630 42.059 0.018 0.000 1.169 110 L HN 0.636 nan 8.230 nan 0.000 0.452 111 M N 2.679 122.264 119.600 -0.024 0.000 2.219 111 M HA 0.209 4.690 4.480 0.001 0.000 0.280 111 M C 0.652 176.947 176.300 -0.009 0.000 1.189 111 M CA -0.269 55.018 55.300 -0.020 0.000 1.010 111 M CB 0.391 32.968 32.600 -0.039 0.000 1.422 111 M HN 0.465 nan 8.290 nan 0.000 0.504 112 D N -0.045 120.351 120.400 -0.006 0.000 2.301 112 D HA 0.386 5.027 4.640 0.001 0.000 0.206 112 D C 0.131 176.432 176.300 0.002 0.000 0.979 112 D CA 0.581 54.583 54.000 0.003 0.000 0.874 112 D CB 0.544 41.348 40.800 0.006 0.000 0.968 112 D HN 0.579 nan 8.370 nan 0.000 0.510 113 A N 0.336 123.153 122.820 -0.006 0.000 2.567 113 A HA 0.479 4.800 4.320 0.001 0.000 0.291 113 A C -1.414 176.162 177.584 -0.013 0.000 1.048 113 A CA -0.895 51.140 52.037 -0.003 0.000 0.661 113 A CB 0.939 19.939 19.000 -0.000 0.000 1.288 113 A HN 0.097 nan 8.150 nan 0.000 0.424 114 N N -0.560 118.138 118.700 -0.004 0.000 2.483 114 N HA 0.503 5.244 4.740 0.001 0.000 0.285 114 N C 0.337 175.830 175.510 -0.029 0.000 1.210 114 N CA -0.754 52.286 53.050 -0.016 0.000 0.931 114 N CB 0.640 39.133 38.487 0.010 0.000 1.220 114 N HN 0.529 nan 8.380 nan 0.000 0.542 115 L N 0.478 121.669 121.223 -0.054 0.000 2.191 115 L HA -0.032 4.309 4.340 0.001 0.000 0.212 115 L C 1.712 178.547 176.870 -0.058 0.000 1.103 115 L CA 1.273 56.071 54.840 -0.070 0.000 0.769 115 L CB -0.626 41.371 42.059 -0.103 0.000 0.908 115 L HN 0.792 nan 8.230 nan 0.000 0.438 116 C N -0.820 118.457 119.300 -0.039 0.000 2.396 116 C HA -0.241 4.219 4.460 0.001 0.000 0.277 116 C C 2.523 177.528 174.990 0.025 0.000 1.231 116 C CA 1.098 60.113 59.018 -0.005 0.000 1.775 116 C CB -1.133 26.616 27.740 0.016 0.000 2.036 116 C HN 0.595 nan 8.230 nan 0.000 0.484 117 Q N -0.407 119.404 119.800 0.018 0.000 2.444 117 Q HA 0.049 4.389 4.340 0.001 0.000 0.206 117 Q C 1.878 177.890 176.000 0.019 0.000 0.948 117 Q CA 0.499 56.322 55.803 0.034 0.000 0.946 117 Q CB 0.127 28.880 28.738 0.024 0.000 1.027 117 Q HN 0.587 nan 8.270 nan 0.000 0.513 118 V N -0.209 119.696 119.914 -0.015 0.000 3.125 118 V HA -0.066 4.054 4.120 0.001 0.000 0.249 118 V C 1.805 177.854 176.094 -0.075 0.000 1.113 118 V CA 0.600 62.879 62.300 -0.035 0.000 1.106 118 V CB 0.012 31.806 31.823 -0.048 0.000 0.768 118 V HN 0.306 nan 8.190 nan 0.000 0.468 119 I N 0.368 120.854 120.570 -0.140 0.000 2.208 119 I HA -0.265 3.906 4.170 0.001 0.000 0.245 119 I C 1.691 177.566 176.117 -0.404 0.000 1.097 119 I CA 1.812 62.925 61.300 -0.313 0.000 1.363 119 I CB -0.312 37.416 38.000 -0.453 0.000 1.051 119 I HN 0.426 nan 8.210 nan 0.000 0.413 120 H N -0.460 118.593 119.070 -0.029 0.000 2.568 120 H HA 0.329 4.886 4.556 0.001 0.000 0.302 120 H C 0.030 175.346 175.328 -0.021 0.000 1.065 120 H CA -0.231 55.800 56.048 -0.029 0.000 1.140 120 H CB -0.154 29.594 29.762 -0.023 0.000 1.474 120 H HN 0.198 nan 8.280 nan 0.000 0.545 121 M N -0.002 119.612 119.600 0.025 0.000 2.444 121 M HA 0.169 4.649 4.480 0.001 0.000 0.319 121 M C 0.285 176.584 176.300 -0.002 0.000 1.183 121 M CA -0.427 54.884 55.300 0.018 0.000 1.032 121 M CB 1.596 34.201 32.600 0.008 0.000 1.569 121 M HN 0.169 nan 8.290 nan 0.000 0.468 122 E N 2.448 122.652 120.200 0.007 0.000 1.893 122 E HA 0.299 4.649 4.350 0.001 0.000 0.269 122 E C -1.427 175.172 176.600 -0.002 0.000 1.129 122 E CA -0.236 56.164 56.400 0.000 0.000 0.904 122 E CB 0.237 29.946 29.700 0.015 0.000 1.077 122 E HN 0.461 nan 8.360 nan 0.000 0.407 123 L N 3.932 125.143 121.223 -0.019 0.000 2.334 123 L HA 0.233 4.573 4.340 0.001 0.000 0.277 123 L C 0.417 177.282 176.870 -0.009 0.000 1.075 123 L CA -0.810 54.026 54.840 -0.006 0.000 0.804 123 L CB 0.849 42.903 42.059 -0.010 0.000 1.174 123 L HN 0.527 nan 8.230 nan 0.000 0.438 124 D N -0.764 119.653 120.400 0.028 0.000 2.432 124 D HA 0.081 4.722 4.640 0.001 0.000 0.258 124 D C 0.906 177.262 176.300 0.092 0.000 1.146 124 D CA -0.389 53.633 54.000 0.038 0.000 1.015 124 D CB 0.503 41.352 40.800 0.081 0.000 1.107 124 D HN 0.350 nan 8.370 nan 0.000 0.529 125 H N -0.286 118.899 119.070 0.192 0.000 2.387 125 H HA -0.089 4.468 4.556 0.001 0.000 0.299 125 H C 1.304 176.739 175.328 0.179 0.000 1.099 125 H CA 1.672 57.872 56.048 0.253 0.000 1.315 125 H CB 0.144 30.067 29.762 0.269 0.000 1.380 125 H HN 0.519 nan 8.280 nan 0.000 0.513 126 E N 0.408 120.789 120.200 0.301 0.000 2.051 126 E HA -0.100 4.250 4.350 0.001 0.000 0.192 126 E C 2.499 179.298 176.600 0.331 0.000 0.991 126 E CA 0.790 57.395 56.400 0.342 0.000 0.799 126 E CB -0.104 29.761 29.700 0.275 0.000 0.748 126 E HN 0.315 nan 8.360 nan 0.000 0.449 127 R N -0.280 120.342 120.500 0.203 0.000 2.066 127 R HA 0.016 4.356 4.340 0.001 0.000 0.232 127 R C 2.439 178.809 176.300 0.116 0.000 1.131 127 R CA 1.519 57.700 56.100 0.134 0.000 0.955 127 R CB -0.212 30.140 30.300 0.088 0.000 0.851 127 R HN 0.200 nan 8.270 nan 0.000 0.432 128 M N 0.197 119.884 119.600 0.145 0.000 2.086 128 M HA -0.180 4.301 4.480 0.001 0.000 0.261 128 M C 2.497 178.896 176.300 0.165 0.000 1.067 128 M CA 2.116 57.511 55.300 0.158 0.000 1.116 128 M CB -0.416 32.330 32.600 0.243 0.000 1.348 128 M HN 0.229 nan 8.290 nan 0.000 0.407 129 S N -0.329 115.449 115.700 0.129 0.000 2.399 129 S HA -0.192 4.279 4.470 0.001 0.000 0.231 129 S C 1.872 176.534 174.600 0.104 0.000 1.022 129 S CA 0.953 59.141 58.200 -0.019 0.000 0.983 129 S CB -0.860 62.110 63.200 -0.384 0.000 0.803 129 S HN 0.508 nan 8.310 nan 0.000 0.480 130 Y N 2.344 122.504 120.300 -0.233 0.000 2.220 130 Y HA 0.155 4.706 4.550 0.001 0.000 0.291 130 Y C 1.974 177.700 175.900 -0.291 0.000 1.129 130 Y CA 0.762 58.422 58.100 -0.734 0.000 1.161 130 Y CB -0.628 37.168 38.460 -1.107 0.000 0.997 130 Y HN 0.220 nan 8.280 nan 0.000 0.522 131 L N -0.882 120.195 121.223 -0.244 0.000 2.012 131 L HA -0.280 4.061 4.340 0.001 0.000 0.210 131 L C 2.545 179.305 176.870 -0.184 0.000 1.073 131 L CA 1.033 55.722 54.840 -0.252 0.000 0.748 131 L CB -0.807 41.178 42.059 -0.124 0.000 0.891 131 L HN 0.248 nan 8.230 nan 0.000 0.431 132 L N -0.911 120.279 121.223 -0.055 0.000 2.042 132 L HA -0.296 4.044 4.340 0.001 0.000 0.210 132 L C 2.653 179.533 176.870 0.016 0.000 1.076 132 L CA 2.072 56.917 54.840 0.009 0.000 0.749 132 L CB -0.877 41.257 42.059 0.126 0.000 0.893 132 L HN 0.330 nan 8.230 nan 0.000 0.432 133 Y N 1.119 121.372 120.300 -0.079 0.000 2.097 133 Y HA -0.314 4.237 4.550 0.001 0.000 0.282 133 Y C 2.755 178.577 175.900 -0.130 0.000 1.152 133 Y CA 1.977 60.052 58.100 -0.042 0.000 1.136 133 Y CB -0.406 38.064 38.460 0.017 0.000 0.975 133 Y HN 0.281 nan 8.280 nan 0.000 0.498 134 Q N -0.486 119.049 119.800 -0.442 0.000 2.084 134 Q HA -0.218 4.123 4.340 0.001 0.000 0.202 134 Q C 2.439 178.225 176.000 -0.357 0.000 0.978 134 Q CA 1.968 57.469 55.803 -0.504 0.000 0.844 134 Q CB -0.249 28.187 28.738 -0.504 0.000 0.898 134 Q HN 0.559 nan 8.270 nan 0.000 0.426 135 M N 0.328 119.767 119.600 -0.268 0.000 2.080 135 M HA -0.219 4.262 4.480 0.001 0.000 0.260 135 M C 2.166 178.339 176.300 -0.211 0.000 1.068 135 M CA 1.547 56.721 55.300 -0.210 0.000 1.109 135 M CB -0.298 32.208 32.600 -0.157 0.000 1.342 135 M HN 0.231 nan 8.290 nan 0.000 0.405 136 L N -0.934 120.177 121.223 -0.186 0.000 2.042 136 L HA -0.280 4.061 4.340 0.001 0.000 0.210 136 L C 2.621 179.351 176.870 -0.233 0.000 1.076 136 L CA 1.139 55.885 54.840 -0.156 0.000 0.749 136 L CB -0.753 41.275 42.059 -0.053 0.000 0.893 136 L HN 0.463 nan 8.230 nan 0.000 0.432 137 C N -0.021 119.062 119.300 -0.362 0.000 2.413 137 C HA -0.135 4.325 4.460 0.001 0.000 0.276 137 C C 2.934 177.630 174.990 -0.490 0.000 1.236 137 C CA 0.959 59.737 59.018 -0.400 0.000 1.735 137 C CB -1.584 25.884 27.740 -0.453 0.000 2.031 137 C HN 0.719 nan 8.230 nan 0.000 0.474 138 G N 0.338 108.873 108.800 -0.442 0.000 2.446 138 G HA2 -0.194 3.767 3.960 0.001 0.000 0.217 138 G HA3 -0.194 3.767 3.960 0.001 0.000 0.217 138 G C 1.453 176.178 174.900 -0.292 0.000 1.168 138 G CA 0.941 45.798 45.100 -0.404 0.000 0.771 138 G HN 0.535 nan 8.290 nan 0.000 0.551 139 I N 0.524 120.924 120.570 -0.284 0.000 2.226 139 I HA -0.126 4.045 4.170 0.001 0.000 0.245 139 I C 2.650 178.486 176.117 -0.468 0.000 1.100 139 I CA 1.520 62.593 61.300 -0.377 0.000 1.374 139 I CB -0.118 37.670 38.000 -0.353 0.000 1.057 139 I HN 0.154 nan 8.210 nan 0.000 0.413 140 K N 0.200 120.431 120.400 -0.282 0.000 2.057 140 K HA -0.286 4.034 4.320 0.001 0.000 0.207 140 K C 2.267 178.817 176.600 -0.084 0.000 1.049 140 K CA 1.737 57.940 56.287 -0.140 0.000 0.931 140 K CB -0.192 32.271 32.500 -0.063 0.000 0.714 140 K HN 0.311 nan 8.250 nan 0.000 0.440 141 H N 0.459 119.387 119.070 -0.237 0.000 2.319 141 H HA -0.083 4.474 4.556 0.001 0.000 0.299 141 H C 1.886 177.171 175.328 -0.072 0.000 1.092 141 H CA 2.224 58.170 56.048 -0.169 0.000 1.302 141 H CB -0.131 29.435 29.762 -0.328 0.000 1.373 141 H HN 0.132 nan 8.280 nan 0.000 0.497 142 L N -0.673 120.537 121.223 -0.021 0.000 2.012 142 L HA -0.256 4.085 4.340 0.001 0.000 0.210 142 L C 2.444 179.372 176.870 0.098 0.000 1.073 142 L CA 1.887 56.739 54.840 0.019 0.000 0.748 142 L CB -0.641 41.437 42.059 0.032 0.000 0.891 142 L HN 0.541 nan 8.230 nan 0.000 0.431 143 H N -0.997 118.073 119.070 0.001 0.000 2.387 143 H HA -0.137 4.419 4.556 0.001 0.000 0.299 143 H C 2.518 177.844 175.328 -0.003 0.000 1.090 143 H CA 1.216 57.275 56.048 0.018 0.000 1.332 143 H CB 0.096 29.878 29.762 0.034 0.000 1.386 143 H HN 0.431 nan 8.280 nan 0.000 0.516 144 S N 0.555 116.302 115.700 0.079 0.000 2.453 144 S HA 0.021 4.492 4.470 0.001 0.000 0.231 144 S C 2.026 176.606 174.600 -0.034 0.000 1.005 144 S CA 0.502 58.706 58.200 0.006 0.000 0.949 144 S CB 0.108 63.289 63.200 -0.032 0.000 0.774 144 S HN 0.403 nan 8.310 nan 0.000 0.510 145 A N 0.786 123.568 122.820 -0.064 0.000 2.278 145 A HA 0.587 4.907 4.320 0.001 0.000 0.212 145 A C 1.619 179.250 177.584 0.078 0.000 1.213 145 A CA 0.289 52.312 52.037 -0.024 0.000 0.840 145 A CB -1.247 17.711 19.000 -0.069 0.000 0.866 145 A HN 1.463 nan 8.150 nan 0.000 0.489 146 G N -0.567 108.288 108.800 0.092 0.000 2.198 146 G HA2 -0.237 3.723 3.960 0.001 0.000 0.260 146 G HA3 -0.237 3.723 3.960 0.001 0.000 0.260 146 G C -0.053 174.949 174.900 0.171 0.000 1.025 146 G CA 0.544 45.721 45.100 0.128 0.000 0.769 146 G HN 0.550 nan 8.290 nan 0.000 0.507 147 I N 0.561 121.217 120.570 0.143 0.000 2.382 147 I HA 0.452 4.623 4.170 0.001 0.000 0.286 147 I C 0.405 176.637 176.117 0.192 0.000 1.002 147 I CA -0.992 60.371 61.300 0.106 0.000 1.135 147 I CB 1.479 39.484 38.000 0.009 0.000 1.288 147 I HN -0.033 nan 8.210 nan 0.000 0.448 148 I N 5.477 126.147 120.570 0.167 0.000 2.315 148 I HA 0.138 4.309 4.170 0.001 0.000 0.291 148 I C 1.444 177.673 176.117 0.186 0.000 1.006 148 I CA -0.388 61.045 61.300 0.222 0.000 1.265 148 I CB 1.032 39.148 38.000 0.193 0.000 1.387 148 I HN 0.683 nan 8.210 nan 0.000 0.475 149 H N 7.257 126.406 119.070 0.132 0.000 2.293 149 H HA -0.078 4.479 4.556 0.001 0.000 0.300 149 H C 1.285 176.641 175.328 0.047 0.000 1.082 149 H CA 2.098 58.184 56.048 0.063 0.000 1.308 149 H CB 0.396 30.182 29.762 0.040 0.000 1.375 149 H HN 0.637 nan 8.280 nan 0.000 0.495 150 R N -1.275 119.377 120.500 0.254 0.000 3.746 150 R HA -0.146 4.194 4.340 0.001 0.000 0.465 150 R C -0.175 176.229 176.300 0.174 0.000 0.725 150 R CA 1.543 57.717 56.100 0.123 0.000 1.545 150 R CB -1.321 29.005 30.300 0.043 0.000 2.197 150 R HN 0.392 nan 8.270 nan 0.000 0.438 151 D N 0.673 121.298 120.400 0.376 0.000 2.819 151 D HA 0.191 4.831 4.640 0.001 0.000 0.326 151 D C -0.463 175.867 176.300 0.050 0.000 1.408 151 D CA -0.139 54.011 54.000 0.251 0.000 0.811 151 D CB 0.388 41.341 40.800 0.255 0.000 1.148 151 D HN 0.094 nan 8.370 nan 0.000 0.457 152 L N 2.433 123.573 121.223 -0.138 0.000 2.369 152 L HA 0.158 4.499 4.340 0.001 0.000 0.279 152 L C 0.470 177.160 176.870 -0.299 0.000 1.108 152 L CA 0.663 55.283 54.840 -0.367 0.000 0.852 152 L CB 0.172 42.057 42.059 -0.288 0.000 1.169 152 L HN -0.008 nan 8.230 nan 0.000 0.452 153 K N 2.660 122.802 120.400 -0.430 0.000 2.555 153 K HA 0.475 4.796 4.320 0.001 0.000 0.279 153 K C -2.747 173.534 176.600 -0.531 0.000 0.986 153 K CA -1.737 54.081 56.287 -0.782 0.000 0.880 153 K CB 1.429 33.493 32.500 -0.726 0.000 1.474 153 K HN -0.109 nan 8.250 nan 0.000 0.433 154 P HA -0.228 nan 4.420 nan 0.000 0.217 154 P C 1.129 178.320 177.300 -0.181 0.000 1.148 154 P CA 1.758 64.690 63.100 -0.279 0.000 0.828 154 P CB 0.095 31.674 31.700 -0.201 0.000 0.783 155 S N -2.487 113.102 115.700 -0.185 0.000 2.522 155 S HA 0.022 4.492 4.470 0.001 0.000 0.227 155 S C 1.495 176.094 174.600 -0.002 0.000 0.986 155 S CA 0.494 58.651 58.200 -0.072 0.000 0.929 155 S CB -0.842 62.305 63.200 -0.089 0.000 0.769 155 S HN 0.045 nan 8.310 nan 0.000 0.529 156 N N 1.016 119.677 118.700 -0.066 0.000 2.268 156 N HA 0.398 5.139 4.740 0.001 0.000 0.204 156 N C -0.753 174.718 175.510 -0.066 0.000 1.124 156 N CA 0.110 53.152 53.050 -0.013 0.000 0.838 156 N CB 0.285 38.770 38.487 -0.004 0.000 0.994 156 N HN 0.504 nan 8.380 nan 0.000 0.489 157 I N 0.957 121.471 120.570 -0.094 0.000 2.447 157 I HA 0.253 4.423 4.170 0.001 0.000 0.287 157 I C -0.346 175.722 176.117 -0.082 0.000 1.023 157 I CA -1.071 60.165 61.300 -0.107 0.000 1.083 157 I CB 1.976 39.890 38.000 -0.143 0.000 1.245 157 I HN -0.274 nan 8.210 nan 0.000 0.434 158 V N 5.220 125.088 119.914 -0.078 0.000 2.667 158 V HA 0.881 5.002 4.120 0.001 0.000 0.308 158 V C -0.249 175.803 176.094 -0.070 0.000 1.048 158 V CA -0.662 61.598 62.300 -0.066 0.000 0.928 158 V CB 1.691 33.473 31.823 -0.069 0.000 1.004 158 V HN 0.512 nan 8.190 nan 0.000 0.444 159 V N 0.497 120.378 119.914 -0.056 0.000 3.040 159 V HA 0.740 4.861 4.120 0.001 0.000 0.312 159 V C -0.517 175.557 176.094 -0.033 0.000 1.115 159 V CA -0.915 61.352 62.300 -0.054 0.000 0.998 159 V CB 1.873 33.662 31.823 -0.056 0.000 1.042 159 V HN 1.020 nan 8.190 nan 0.000 0.433 160 K N 0.794 121.178 120.400 -0.027 0.000 2.258 160 K HA 0.549 4.870 4.320 0.001 0.000 0.236 160 K C 0.943 177.543 176.600 0.000 0.000 1.008 160 K CA -0.497 55.784 56.287 -0.009 0.000 0.869 160 K CB 1.984 34.482 32.500 -0.004 0.000 1.171 160 K HN 0.723 nan 8.250 nan 0.000 0.447 161 S N 1.314 117.019 115.700 0.008 0.000 2.442 161 S HA -0.139 4.331 4.470 0.001 0.000 0.236 161 S C 0.925 175.537 174.600 0.019 0.000 1.007 161 S CA 1.595 59.803 58.200 0.013 0.000 0.965 161 S CB -0.304 62.905 63.200 0.015 0.000 0.773 161 S HN 0.664 nan 8.310 nan 0.000 0.504 162 D N -0.271 120.143 120.400 0.023 0.000 2.324 162 D HA 0.095 4.735 4.640 0.001 0.000 0.235 162 D C 0.753 177.090 176.300 0.062 0.000 1.095 162 D CA -0.105 53.915 54.000 0.034 0.000 0.871 162 D CB -0.873 39.948 40.800 0.034 0.000 0.906 162 D HN 0.269 nan 8.370 nan 0.000 0.522 163 C N 0.128 119.456 119.300 0.047 0.000 4.593 163 C HA -0.200 4.260 4.460 0.001 0.000 0.263 163 C C 0.861 175.859 174.990 0.013 0.000 1.378 163 C CA 1.115 60.167 59.018 0.055 0.000 1.666 163 C CB -2.812 25.004 27.740 0.128 0.000 1.603 163 C HN 0.701 nan 8.230 nan 0.000 0.704 164 T N -0.540 114.022 114.554 0.014 0.000 2.899 164 T HA 0.518 4.869 4.350 0.001 0.000 0.295 164 T C -0.485 174.149 174.700 -0.111 0.000 1.033 164 T CA 0.029 62.092 62.100 -0.063 0.000 1.084 164 T CB 1.975 70.838 68.868 -0.009 0.000 0.979 164 T HN 1.127 nan 8.240 nan 0.000 0.532 165 L N 0.498 121.625 121.223 -0.160 0.000 2.445 165 L HA 0.741 5.081 4.340 0.001 0.000 0.262 165 L C -1.205 175.588 176.870 -0.128 0.000 0.974 165 L CA -0.873 53.873 54.840 -0.156 0.000 0.822 165 L CB 2.014 43.941 42.059 -0.220 0.000 1.339 165 L HN 0.771 nan 8.230 nan 0.000 0.409 166 K N 4.617 124.955 120.400 -0.103 0.000 2.464 166 K HA 0.578 4.899 4.320 0.001 0.000 0.253 166 K C -1.424 175.127 176.600 -0.083 0.000 0.933 166 K CA -0.632 55.605 56.287 -0.083 0.000 0.801 166 K CB 2.659 35.122 32.500 -0.062 0.000 1.271 166 K HN 0.474 nan 8.250 nan 0.000 0.430 167 I N 4.399 124.927 120.570 -0.070 0.000 2.385 167 I HA 0.307 4.478 4.170 0.001 0.000 0.294 167 I C -0.384 175.742 176.117 0.014 0.000 0.988 167 I CA -0.691 60.580 61.300 -0.048 0.000 1.265 167 I CB 0.632 38.598 38.000 -0.057 0.000 1.388 167 I HN 0.413 nan 8.210 nan 0.000 0.480 168 L N 3.143 124.400 121.223 0.056 0.000 2.223 168 L HA 0.769 5.110 4.340 0.001 0.000 0.243 168 L C -1.112 175.876 176.870 0.197 0.000 1.105 168 L CA -0.710 54.174 54.840 0.074 0.000 0.943 168 L CB 0.991 43.036 42.059 -0.023 0.000 1.542 168 L HN 0.292 nan 8.230 nan 0.000 0.437 169 D N -0.205 120.257 120.400 0.104 0.000 2.402 169 D HA 0.267 4.908 4.640 0.001 0.000 0.252 169 D C -1.164 175.246 176.300 0.182 0.000 1.294 169 D CA -0.221 53.857 54.000 0.129 0.000 0.948 169 D CB 1.016 41.788 40.800 -0.047 0.000 1.202 169 D HN 0.487 nan 8.370 nan 0.000 0.561 170 F N 2.487 122.465 119.950 0.047 0.000 2.701 170 F HA 0.388 4.915 4.527 0.001 0.000 0.295 170 F C 0.823 176.654 175.800 0.052 0.000 1.165 170 F CA -0.903 57.122 58.000 0.041 0.000 1.399 170 F CB -0.051 38.981 39.000 0.054 0.000 0.996 170 F HN 0.327 nan 8.300 nan 0.000 0.513 171 G N 1.439 110.355 108.800 0.192 0.000 2.354 171 G HA2 0.325 4.286 3.960 0.001 0.000 0.266 171 G HA3 0.325 4.286 3.960 0.001 0.000 0.266 171 G C 0.306 175.220 174.900 0.025 0.000 1.242 171 G CA -0.271 44.869 45.100 0.066 0.000 0.923 171 G HN 0.431 nan 8.290 nan 0.000 0.476 172 L N 2.320 123.507 121.223 -0.061 0.000 3.122 172 L HA 0.350 4.691 4.340 0.001 0.000 0.274 172 L C 1.425 178.235 176.870 -0.100 0.000 1.222 172 L CA -0.017 54.783 54.840 -0.067 0.000 1.028 172 L CB 0.298 42.308 42.059 -0.082 0.000 1.386 172 L HN 0.756 nan 8.230 nan 0.000 0.578 173 A N 1.139 123.896 122.820 -0.105 0.000 2.251 173 A HA -0.230 4.091 4.320 0.001 0.000 0.283 173 A C 0.412 177.930 177.584 -0.111 0.000 1.415 173 A CA 0.650 52.619 52.037 -0.113 0.000 0.742 173 A CB -1.442 17.466 19.000 -0.152 0.000 1.151 173 A HN 0.555 nan 8.150 nan 0.000 0.354 174 R N 0.459 120.879 120.500 -0.133 0.000 2.438 174 R HA 0.510 4.850 4.340 0.001 0.000 0.287 174 R C 0.890 177.126 176.300 -0.107 0.000 1.077 174 R CA 0.659 56.676 56.100 -0.139 0.000 1.034 174 R CB 0.719 30.888 30.300 -0.219 0.000 0.993 174 R HN 0.804 nan 8.270 nan 0.000 0.459 175 T N -1.770 112.736 114.554 -0.079 0.000 2.907 175 T HA 0.469 4.820 4.350 0.001 0.000 0.290 175 T C 1.092 175.761 174.700 -0.050 0.000 1.066 175 T CA -0.476 61.590 62.100 -0.058 0.000 1.012 175 T CB 1.811 70.656 68.868 -0.039 0.000 1.184 175 T HN 0.472 nan 8.240 nan 0.000 0.522 176 A N -0.152 122.645 122.820 -0.038 0.000 1.892 176 A HA -0.058 4.263 4.320 0.001 0.000 0.218 176 A C 2.452 180.024 177.584 -0.019 0.000 1.188 176 A CA 1.922 53.941 52.037 -0.029 0.000 0.631 176 A CB -1.590 17.397 19.000 -0.021 0.000 0.822 176 A HN 0.952 nan 8.150 nan 0.000 0.447 177 C N -0.806 118.483 119.300 -0.018 0.000 2.446 177 C HA -0.054 4.406 4.460 0.001 0.000 0.277 177 C C 3.239 178.223 174.990 -0.010 0.000 1.275 177 C CA 1.622 60.632 59.018 -0.014 0.000 1.727 177 C CB -1.358 26.372 27.740 -0.016 0.000 2.010 177 C HN 0.809 nan 8.230 nan 0.000 0.486 178 T N 0.345 114.890 114.554 -0.014 0.000 2.978 178 T HA -0.049 4.302 4.350 0.001 0.000 0.262 178 T C 0.564 175.270 174.700 0.010 0.000 1.063 178 T CA 0.424 62.519 62.100 -0.008 0.000 1.140 178 T CB -0.915 67.943 68.868 -0.016 0.000 0.886 178 T HN 0.810 nan 8.240 nan 0.000 0.470 179 N N 0.541 119.237 118.700 -0.007 0.000 2.492 179 N HA 0.325 5.066 4.740 0.001 0.000 0.260 179 N C -1.107 174.464 175.510 0.101 0.000 1.215 179 N CA -0.636 52.407 53.050 -0.011 0.000 0.923 179 N CB 0.431 38.857 38.487 -0.101 0.000 1.092 179 N HN 0.349 nan 8.380 nan 0.000 0.448 180 F N 1.507 121.398 119.950 -0.099 0.000 2.652 180 F HA 0.419 4.946 4.527 0.001 0.000 0.320 180 F C -2.049 173.707 175.800 -0.074 0.000 1.115 180 F CA -0.883 57.077 58.000 -0.066 0.000 1.053 180 F CB 1.637 40.616 39.000 -0.035 0.000 1.297 180 F HN 0.383 nan 8.300 nan 0.000 0.471 181 M N 7.366 126.491 119.600 -0.792 0.000 2.326 181 M HA 0.375 4.856 4.480 0.001 0.000 0.292 181 M C -0.578 175.320 176.300 -0.670 0.000 1.081 181 M CA -0.467 54.492 55.300 -0.569 0.000 0.919 181 M CB 2.235 34.651 32.600 -0.307 0.000 1.634 181 M HN 0.691 nan 8.290 nan 0.000 0.451 182 M N 1.195 120.564 119.600 -0.385 0.000 2.419 182 M HA 0.160 4.640 4.480 0.001 0.000 0.252 182 M C 0.220 176.482 176.300 -0.064 0.000 1.143 182 M CA 0.343 55.517 55.300 -0.209 0.000 0.985 182 M CB -0.403 32.148 32.600 -0.081 0.000 1.489 182 M HN 0.686 nan 8.290 nan 0.000 0.484 183 T N -1.548 112.989 114.554 -0.028 0.000 2.909 183 T HA 0.688 5.038 4.350 0.001 0.000 0.299 183 T C -2.932 171.793 174.700 0.042 0.000 1.073 183 T CA -1.791 60.336 62.100 0.045 0.000 0.999 183 T CB 2.066 71.020 68.868 0.143 0.000 1.098 183 T HN -0.127 nan 8.240 nan 0.000 0.477 184 P HA 0.278 nan 4.420 nan 0.000 0.269 184 P C -1.483 175.886 177.300 0.115 0.000 1.209 184 P CA -0.276 62.864 63.100 0.067 0.000 0.776 184 P CB 0.148 31.880 31.700 0.053 0.000 0.876 185 Y N 2.245 122.534 120.300 -0.018 0.000 2.485 185 Y HA 0.645 5.196 4.550 0.001 0.000 0.345 185 Y C -1.242 174.667 175.900 0.014 0.000 0.998 185 Y CA -0.963 57.121 58.100 -0.025 0.000 1.059 185 Y CB 1.701 40.116 38.460 -0.075 0.000 1.234 185 Y HN 0.253 nan 8.280 nan 0.000 0.461 186 V N 6.698 126.144 119.914 -0.780 0.000 2.841 186 V HA 0.603 4.724 4.120 0.001 0.000 0.310 186 V C -1.036 174.588 176.094 -0.783 0.000 1.090 186 V CA -0.639 61.383 62.300 -0.464 0.000 0.930 186 V CB 2.032 33.812 31.823 -0.072 0.000 1.014 186 V HN 0.888 nan 8.190 nan 0.000 0.425 187 V N 3.633 123.317 119.914 -0.383 0.000 2.843 187 V HA 0.280 4.401 4.120 0.001 0.000 0.305 187 V C 1.227 177.205 176.094 -0.193 0.000 1.065 187 V CA 1.008 63.139 62.300 -0.283 0.000 1.116 187 V CB 0.641 32.292 31.823 -0.286 0.000 0.968 187 V HN 0.960 nan 8.190 nan 0.000 0.487 188 T N 2.315 116.827 114.554 -0.070 0.000 2.904 188 T HA -0.092 4.258 4.350 0.001 0.000 0.267 188 T C 1.856 176.610 174.700 0.090 0.000 1.059 188 T CA 1.565 63.712 62.100 0.079 0.000 1.137 188 T CB -0.364 68.554 68.868 0.084 0.000 0.879 188 T HN 0.812 nan 8.240 nan 0.000 0.467 189 R N 0.350 120.783 120.500 -0.110 0.000 2.159 189 R HA -0.224 4.117 4.340 0.001 0.000 0.252 189 R C 1.845 178.097 176.300 -0.080 0.000 1.144 189 R CA 1.942 57.912 56.100 -0.216 0.000 0.961 189 R CB -0.508 29.555 30.300 -0.396 0.000 0.877 189 R HN 0.399 nan 8.270 nan 0.000 0.444 190 Y N -1.029 119.199 120.300 -0.120 0.000 2.483 190 Y HA -0.165 4.385 4.550 0.001 0.000 0.291 190 Y C 1.181 176.824 175.900 -0.428 0.000 1.143 190 Y CA 0.723 58.612 58.100 -0.350 0.000 1.289 190 Y CB -0.433 37.626 38.460 -0.669 0.000 0.983 190 Y HN 0.223 nan 8.280 nan 0.000 0.556 191 Y N -0.989 119.482 120.300 0.286 0.000 2.481 191 Y HA 0.276 4.827 4.550 0.001 0.000 0.247 191 Y C 0.576 176.687 175.900 0.352 0.000 1.151 191 Y CA -0.954 57.323 58.100 0.294 0.000 1.238 191 Y CB 0.198 38.749 38.460 0.152 0.000 1.179 191 Y HN -0.253 nan 8.280 nan 0.000 0.524 192 R N 1.587 122.290 120.500 0.338 0.000 2.347 192 R HA 0.491 4.832 4.340 0.001 0.000 0.304 192 R C 0.353 176.668 176.300 0.026 0.000 1.072 192 R CA -0.198 56.017 56.100 0.191 0.000 0.980 192 R CB 0.767 31.140 30.300 0.123 0.000 0.986 192 R HN 0.156 nan 8.270 nan 0.000 0.448 193 A N 5.216 127.923 122.820 -0.189 0.000 2.466 193 A HA 0.145 4.465 4.320 0.001 0.000 0.238 193 A C -1.410 175.819 177.584 -0.592 0.000 1.074 193 A CA -1.087 50.456 52.037 -0.823 0.000 0.774 193 A CB 0.032 18.808 19.000 -0.373 0.000 1.015 193 A HN 0.481 nan 8.150 nan 0.000 0.498 194 P HA -0.173 nan 4.420 nan 0.000 0.218 194 P C 1.309 178.567 177.300 -0.069 0.000 1.149 194 P CA 1.475 64.427 63.100 -0.248 0.000 0.817 194 P CB 0.071 31.695 31.700 -0.127 0.000 0.785 195 E N 0.016 120.187 120.200 -0.047 0.000 2.153 195 E HA -0.110 4.241 4.350 0.001 0.000 0.194 195 E C 1.718 178.324 176.600 0.011 0.000 0.988 195 E CA 1.342 57.760 56.400 0.030 0.000 0.811 195 E CB -1.344 28.408 29.700 0.088 0.000 0.746 195 E HN 0.114 nan 8.360 nan 0.000 0.466 196 V N 1.790 121.680 119.914 -0.041 0.000 2.323 196 V HA -0.191 3.930 4.120 0.001 0.000 0.244 196 V C 2.659 178.745 176.094 -0.013 0.000 1.041 196 V CA 1.432 63.708 62.300 -0.040 0.000 1.025 196 V CB -0.506 31.232 31.823 -0.141 0.000 0.656 196 V HN 0.146 nan 8.190 nan 0.000 0.451 197 I N -0.006 120.568 120.570 0.006 0.000 2.208 197 I HA -0.257 3.914 4.170 0.001 0.000 0.245 197 I C 1.923 178.016 176.117 -0.040 0.000 1.097 197 I CA 1.769 63.114 61.300 0.075 0.000 1.363 197 I CB -0.232 37.834 38.000 0.111 0.000 1.051 197 I HN 0.248 nan 8.210 nan 0.000 0.413 198 L N 0.514 121.670 121.223 -0.112 0.000 2.611 198 L HA 0.242 4.583 4.340 0.001 0.000 0.229 198 L C 1.187 177.970 176.870 -0.145 0.000 1.137 198 L CA 0.171 54.894 54.840 -0.195 0.000 0.901 198 L CB -0.434 41.442 42.059 -0.305 0.000 1.098 198 L HN 0.466 nan 8.230 nan 0.000 0.456 199 G N 0.409 109.156 108.800 -0.088 0.000 2.272 199 G HA2 -0.318 3.643 3.960 0.001 0.000 0.280 199 G HA3 -0.318 3.643 3.960 0.001 0.000 0.280 199 G C 0.667 175.535 174.900 -0.053 0.000 1.067 199 G CA 0.452 45.516 45.100 -0.060 0.000 0.902 199 G HN 0.354 nan 8.290 nan 0.000 0.500 200 M N -0.207 119.371 119.600 -0.035 0.000 2.486 200 M HA 0.314 4.795 4.480 0.001 0.000 0.264 200 M C 1.507 177.785 176.300 -0.036 0.000 1.125 200 M CA 1.363 56.624 55.300 -0.064 0.000 1.144 200 M CB 0.320 32.863 32.600 -0.095 0.000 1.353 200 M HN 1.503 nan 8.290 nan 0.000 0.466 201 G N 1.136 109.954 108.800 0.031 0.000 2.879 201 G HA2 -0.198 3.762 3.960 0.001 0.000 0.686 201 G HA3 -0.198 3.762 3.960 0.001 0.000 0.686 201 G C -1.226 173.666 174.900 -0.012 0.000 1.115 201 G CA -0.526 44.528 45.100 -0.078 0.000 0.770 201 G HN 0.499 nan 8.290 nan 0.000 0.601 202 Y N -1.171 119.119 120.300 -0.017 0.000 2.615 202 Y HA 0.932 5.483 4.550 0.001 0.000 0.341 202 Y C 0.271 176.168 175.900 -0.005 0.000 1.089 202 Y CA -0.911 57.186 58.100 -0.005 0.000 1.049 202 Y CB 0.724 39.187 38.460 0.005 0.000 1.296 202 Y HN 1.599 nan 8.280 nan 0.000 0.470 203 A N 0.731 123.670 122.820 0.199 0.000 2.468 203 A HA 0.810 5.131 4.320 0.001 0.000 0.270 203 A C 1.136 178.786 177.584 0.109 0.000 1.217 203 A CA -0.565 51.530 52.037 0.097 0.000 0.908 203 A CB 0.387 19.412 19.000 0.041 0.000 1.423 203 A HN 1.441 nan 8.150 nan 0.000 0.459 204 A N 0.122 122.905 122.820 -0.062 0.000 2.019 204 A HA -0.135 4.185 4.320 0.001 0.000 0.219 204 A C 1.446 178.961 177.584 -0.116 0.000 1.164 204 A CA 2.033 53.876 52.037 -0.324 0.000 0.644 204 A CB -0.953 17.514 19.000 -0.889 0.000 0.805 204 A HN 1.026 nan 8.150 nan 0.000 0.449 205 N N 0.958 119.681 118.700 0.038 0.000 2.575 205 N HA -0.070 4.671 4.740 0.001 0.000 0.192 205 N C 1.120 176.749 175.510 0.198 0.000 1.200 205 N CA 1.281 54.426 53.050 0.159 0.000 0.897 205 N CB -1.111 37.465 38.487 0.149 0.000 0.990 205 N HN 0.510 nan 8.380 nan 0.000 0.449 206 V N -2.379 117.636 119.914 0.168 0.000 2.490 206 V HA -0.196 3.925 4.120 0.001 0.000 0.250 206 V C 1.442 177.675 176.094 0.233 0.000 1.061 206 V CA 1.880 64.274 62.300 0.157 0.000 1.064 206 V CB -0.537 31.291 31.823 0.008 0.000 0.670 206 V HN 0.017 nan 8.190 nan 0.000 0.461 207 D N 0.463 121.009 120.400 0.243 0.000 2.178 207 D HA -0.048 4.593 4.640 0.001 0.000 0.202 207 D C 2.159 178.582 176.300 0.205 0.000 0.974 207 D CA 1.214 55.353 54.000 0.232 0.000 0.841 207 D CB -0.101 40.875 40.800 0.294 0.000 0.953 207 D HN 0.413 nan 8.370 nan 0.000 0.478 208 I N 0.354 121.066 120.570 0.238 0.000 2.252 208 I HA -0.200 3.971 4.170 0.001 0.000 0.245 208 I C 2.330 178.573 176.117 0.210 0.000 1.102 208 I CA 0.653 62.067 61.300 0.190 0.000 1.385 208 I CB -0.882 37.230 38.000 0.187 0.000 1.064 208 I HN 0.281 nan 8.210 nan 0.000 0.414 209 W N 2.006 123.370 121.300 0.106 0.000 2.335 209 W HA -0.245 4.415 4.660 0.001 0.000 0.311 209 W C 2.473 179.082 176.519 0.149 0.000 1.213 209 W CA 1.859 59.277 57.345 0.123 0.000 1.274 209 W CB -0.311 29.218 29.460 0.114 0.000 1.148 209 W HN 0.085 nan 8.180 nan 0.000 0.498 210 S N 0.735 116.633 115.700 0.331 0.000 2.382 210 S HA -0.180 4.290 4.470 0.001 0.000 0.228 210 S C 1.836 176.494 174.600 0.097 0.000 1.027 210 S CA 1.600 59.950 58.200 0.249 0.000 0.991 210 S CB -0.705 62.627 63.200 0.219 0.000 0.823 210 S HN 0.134 nan 8.310 nan 0.000 0.469 211 V N 1.671 121.612 119.914 0.045 0.000 2.407 211 V HA -0.133 3.988 4.120 0.001 0.000 0.248 211 V C 2.594 178.665 176.094 -0.039 0.000 1.055 211 V CA 1.875 64.169 62.300 -0.011 0.000 1.049 211 V CB -1.424 30.392 31.823 -0.012 0.000 0.662 211 V HN 0.590 nan 8.190 nan 0.000 0.455 212 G N -1.341 107.413 108.800 -0.076 0.000 2.422 212 G HA2 -0.260 3.701 3.960 0.001 0.000 0.218 212 G HA3 -0.260 3.701 3.960 0.001 0.000 0.218 212 G C 1.735 176.536 174.900 -0.165 0.000 1.146 212 G CA 1.282 46.292 45.100 -0.149 0.000 0.769 212 G HN 0.532 nan 8.290 nan 0.000 0.547 213 C N 0.293 119.499 119.300 -0.156 0.000 2.429 213 C HA 0.061 4.522 4.460 0.001 0.000 0.277 213 C C 2.847 177.868 174.990 0.052 0.000 1.262 213 C CA 0.470 59.451 59.018 -0.062 0.000 1.733 213 C CB -0.931 26.857 27.740 0.080 0.000 2.010 213 C HN 0.477 nan 8.230 nan 0.000 0.483 214 I N 0.316 120.943 120.570 0.096 0.000 2.179 214 I HA -0.284 3.887 4.170 0.001 0.000 0.242 214 I C 2.665 178.764 176.117 -0.030 0.000 1.088 214 I CA 1.673 62.998 61.300 0.041 0.000 1.357 214 I CB -0.490 37.483 38.000 -0.044 0.000 1.051 214 I HN 0.381 nan 8.210 nan 0.000 0.409 215 M N 0.803 120.371 119.600 -0.054 0.000 2.080 215 M HA -0.177 4.304 4.480 0.001 0.000 0.260 215 M C 2.244 178.475 176.300 -0.114 0.000 1.068 215 M CA 2.414 57.671 55.300 -0.071 0.000 1.109 215 M CB -0.537 32.015 32.600 -0.080 0.000 1.342 215 M HN 0.294 nan 8.290 nan 0.000 0.405 216 G N -0.468 108.248 108.800 -0.140 0.000 2.418 216 G HA2 -0.277 3.684 3.960 0.001 0.000 0.217 216 G HA3 -0.277 3.684 3.960 0.001 0.000 0.217 216 G C 1.293 176.175 174.900 -0.031 0.000 1.158 216 G CA 1.140 46.191 45.100 -0.082 0.000 0.771 216 G HN 0.654 nan 8.290 nan 0.000 0.545 217 E N -0.068 120.088 120.200 -0.075 0.000 2.077 217 E HA -0.047 4.304 4.350 0.001 0.000 0.193 217 E C 2.506 179.016 176.600 -0.150 0.000 0.989 217 E CA 0.447 56.784 56.400 -0.105 0.000 0.800 217 E CB -0.204 29.468 29.700 -0.045 0.000 0.746 217 E HN 0.443 nan 8.360 nan 0.000 0.452 218 L N 0.150 121.295 121.223 -0.130 0.000 2.127 218 L HA -0.201 4.139 4.340 0.001 0.000 0.211 218 L C 2.285 179.046 176.870 -0.181 0.000 1.089 218 L CA 0.735 55.488 54.840 -0.145 0.000 0.757 218 L CB -0.181 41.823 42.059 -0.090 0.000 0.899 218 L HN 0.144 nan 8.230 nan 0.000 0.434 219 V N -0.853 118.933 119.914 -0.213 0.000 2.300 219 V HA -0.170 3.951 4.120 0.001 0.000 0.241 219 V C 2.284 178.175 176.094 -0.340 0.000 1.034 219 V CA 1.365 63.455 62.300 -0.350 0.000 1.021 219 V CB -0.414 31.075 31.823 -0.557 0.000 0.662 219 V HN 0.310 nan 8.190 nan 0.000 0.458 220 K N -0.001 120.243 120.400 -0.260 0.000 2.148 220 K HA 0.042 4.363 4.320 0.001 0.000 0.204 220 K C 1.613 178.094 176.600 -0.198 0.000 1.050 220 K CA 0.980 57.105 56.287 -0.269 0.000 0.942 220 K CB -0.233 32.111 32.500 -0.260 0.000 0.724 220 K HN 0.632 nan 8.250 nan 0.000 0.446 221 G N 1.374 110.062 108.800 -0.188 0.000 2.159 221 G HA2 -0.294 3.666 3.960 0.001 0.000 0.256 221 G HA3 -0.294 3.666 3.960 0.001 0.000 0.256 221 G C 0.146 175.022 174.900 -0.040 0.000 0.977 221 G CA 0.373 45.372 45.100 -0.168 0.000 0.652 221 G HN 0.462 nan 8.290 nan 0.000 0.531 222 C N -0.882 118.360 119.300 -0.096 0.000 2.802 222 C HA 0.834 5.295 4.460 0.001 0.000 0.307 222 C C 0.719 175.612 174.990 -0.162 0.000 1.222 222 C CA -1.048 57.918 59.018 -0.087 0.000 1.580 222 C CB 1.479 29.148 27.740 -0.119 0.000 2.119 222 C HN 0.826 nan 8.230 nan 0.000 0.479 223 V N 4.400 124.200 119.914 -0.190 0.000 2.617 223 V HA 0.003 4.124 4.120 0.001 0.000 0.304 223 V C 1.420 177.286 176.094 -0.379 0.000 1.040 223 V CA 0.349 62.471 62.300 -0.297 0.000 1.149 223 V CB 0.182 31.710 31.823 -0.493 0.000 0.914 223 V HN 0.817 nan 8.190 nan 0.000 0.487 224 I N 3.870 124.175 120.570 -0.442 0.000 2.193 224 I HA -0.016 4.155 4.170 0.001 0.000 0.240 224 I C 0.828 176.445 176.117 -0.834 0.000 1.084 224 I CA 1.608 62.492 61.300 -0.695 0.000 1.365 224 I CB -0.526 36.963 38.000 -0.852 0.000 1.064 224 I HN 0.473 nan 8.210 nan 0.000 0.410 225 F N 1.270 121.088 119.950 -0.220 0.000 2.359 225 F HA 0.442 4.970 4.527 0.001 0.000 0.370 225 F C 0.708 176.358 175.800 -0.249 0.000 1.077 225 F CA -0.673 57.229 58.000 -0.164 0.000 1.136 225 F CB 0.328 39.318 39.000 -0.017 0.000 1.387 225 F HN -0.012 nan 8.300 nan 0.000 0.468 226 Q N 2.393 122.061 119.800 -0.220 0.000 2.771 226 Q HA 0.451 4.792 4.340 0.001 0.000 0.239 226 Q C 0.332 176.268 176.000 -0.107 0.000 1.231 226 Q CA -0.391 55.141 55.803 -0.452 0.000 1.056 226 Q CB 0.503 28.923 28.738 -0.531 0.000 1.284 226 Q HN 0.803 nan 8.270 nan 0.000 0.558 227 G N -0.011 108.845 108.800 0.094 0.000 2.448 227 G HA2 0.173 4.134 3.960 0.001 0.000 0.285 227 G HA3 0.173 4.134 3.960 0.001 0.000 0.285 227 G C 0.898 175.904 174.900 0.177 0.000 1.176 227 G CA -0.042 45.133 45.100 0.126 0.000 0.852 227 G HN 0.581 nan 8.290 nan 0.000 0.530 228 T N -2.118 112.506 114.554 0.117 0.000 3.023 228 T HA 0.113 4.464 4.350 0.001 0.000 0.266 228 T C 0.481 175.235 174.700 0.090 0.000 1.093 228 T CA 1.251 63.415 62.100 0.108 0.000 1.129 228 T CB -0.298 68.618 68.868 0.080 0.000 0.899 228 T HN 0.710 nan 8.240 nan 0.000 0.491 229 D N -1.944 118.505 120.400 0.081 0.000 2.692 229 D HA 0.283 4.923 4.640 0.001 0.000 0.303 229 D C 0.191 176.522 176.300 0.053 0.000 1.278 229 D CA -0.879 53.162 54.000 0.068 0.000 0.852 229 D CB 0.156 41.013 40.800 0.094 0.000 1.375 229 D HN -0.053 nan 8.370 nan 0.000 0.453 230 H N -0.648 118.456 119.070 0.057 0.000 2.352 230 H HA -0.058 4.499 4.556 0.001 0.000 0.299 230 H C 1.632 177.008 175.328 0.080 0.000 1.097 230 H CA 1.842 57.923 56.048 0.055 0.000 1.311 230 H CB 0.019 29.788 29.762 0.012 0.000 1.377 230 H HN 0.305 nan 8.280 nan 0.000 0.504 231 I N 0.485 121.158 120.570 0.171 0.000 2.127 231 I HA -0.255 3.916 4.170 0.001 0.000 0.241 231 I C 2.166 178.436 176.117 0.254 0.000 1.075 231 I CA 1.603 63.002 61.300 0.166 0.000 1.334 231 I CB -1.023 37.042 38.000 0.109 0.000 1.040 231 I HN 0.322 nan 8.210 nan 0.000 0.405 232 D N 0.094 120.607 120.400 0.188 0.000 2.178 232 D HA -0.196 4.444 4.640 0.001 0.000 0.201 232 D C 2.137 178.529 176.300 0.155 0.000 0.980 232 D CA 0.897 54.996 54.000 0.165 0.000 0.842 232 D CB 0.092 40.963 40.800 0.118 0.000 0.948 232 D HN 0.146 nan 8.370 nan 0.000 0.472 233 Q N -0.405 119.484 119.800 0.149 0.000 2.096 233 Q HA -0.201 4.140 4.340 0.001 0.000 0.208 233 Q C 2.016 178.109 176.000 0.156 0.000 0.993 233 Q CA 1.139 57.025 55.803 0.138 0.000 0.862 233 Q CB -0.865 27.930 28.738 0.095 0.000 0.915 233 Q HN 0.622 nan 8.270 nan 0.000 0.416 234 W N 1.370 122.690 121.300 0.034 0.000 2.358 234 W HA -0.215 4.445 4.660 0.001 0.000 0.303 234 W C 1.291 177.824 176.519 0.023 0.000 1.208 234 W CA 1.308 58.672 57.345 0.031 0.000 1.274 234 W CB -0.105 29.428 29.460 0.123 0.000 1.138 234 W HN 0.232 nan 8.180 nan 0.000 0.515 235 N N 0.848 119.568 118.700 0.033 0.000 2.104 235 N HA -0.193 4.548 4.740 0.001 0.000 0.190 235 N C 1.585 176.960 175.510 -0.226 0.000 1.024 235 N CA 1.701 54.685 53.050 -0.109 0.000 0.853 235 N CB -0.703 37.807 38.487 0.039 0.000 1.008 235 N HN 0.133 nan 8.380 nan 0.000 0.424 236 K N 0.773 121.112 120.400 -0.103 0.000 2.097 236 K HA 0.013 4.334 4.320 0.001 0.000 0.205 236 K C 2.154 178.729 176.600 -0.042 0.000 1.050 236 K CA 0.406 56.668 56.287 -0.042 0.000 0.938 236 K CB -0.705 31.849 32.500 0.090 0.000 0.718 236 K HN 0.060 nan 8.250 nan 0.000 0.442 237 V N 2.832 122.592 119.914 -0.257 0.000 2.261 237 V HA -0.250 3.871 4.120 0.001 0.000 0.246 237 V C 2.448 178.271 176.094 -0.453 0.000 1.047 237 V CA 2.053 64.048 62.300 -0.507 0.000 1.015 237 V CB -0.697 30.766 31.823 -0.601 0.000 0.642 237 V HN 0.323 nan 8.190 nan 0.000 0.446 238 I N -1.380 118.778 120.570 -0.687 0.000 2.439 238 I HA -0.153 4.018 4.170 0.001 0.000 0.251 238 I C 2.260 178.036 176.117 -0.569 0.000 1.139 238 I CA 1.645 62.584 61.300 -0.602 0.000 1.438 238 I CB -0.763 36.849 38.000 -0.647 0.000 1.085 238 I HN 0.270 nan 8.210 nan 0.000 0.427 239 E N 1.058 120.796 120.200 -0.769 0.000 2.118 239 E HA -0.249 4.101 4.350 0.001 0.000 0.195 239 E C 2.225 178.588 176.600 -0.395 0.000 0.992 239 E CA 1.748 57.610 56.400 -0.897 0.000 0.804 239 E CB -0.061 29.262 29.700 -0.628 0.000 0.741 239 E HN 0.705 nan 8.360 nan 0.000 0.458 240 Q N -0.493 119.180 119.800 -0.212 0.000 2.287 240 Q HA 0.090 4.431 4.340 0.001 0.000 0.201 240 Q C 2.190 178.170 176.000 -0.033 0.000 0.946 240 Q CA 0.477 56.221 55.803 -0.099 0.000 0.868 240 Q CB 0.314 29.041 28.738 -0.018 0.000 0.967 240 Q HN 0.244 nan 8.270 nan 0.000 0.516 241 L N -0.298 120.934 121.223 0.015 0.000 2.375 241 L HA 0.240 4.581 4.340 0.001 0.000 0.215 241 L C 0.793 177.687 176.870 0.040 0.000 1.108 241 L CA 0.382 55.278 54.840 0.094 0.000 0.830 241 L CB -0.022 42.129 42.059 0.153 0.000 0.959 241 L HN 0.293 nan 8.230 nan 0.000 0.457 242 G N -0.004 108.775 108.800 -0.034 0.000 2.663 242 G HA2 -0.183 3.778 3.960 0.001 0.000 0.686 242 G HA3 -0.183 3.778 3.960 0.001 0.000 0.686 242 G C -0.282 174.603 174.900 -0.025 0.000 1.246 242 G CA -0.805 44.305 45.100 0.016 0.000 0.795 242 G HN -0.087 nan 8.290 nan 0.000 0.627 243 T N 4.087 118.673 114.554 0.053 0.000 2.866 243 T HA 0.400 4.750 4.350 0.001 0.000 0.293 243 T C -0.913 173.820 174.700 0.055 0.000 1.005 243 T CA 0.651 62.790 62.100 0.065 0.000 1.162 243 T CB 0.670 69.603 68.868 0.108 0.000 0.968 243 T HN 0.680 nan 8.240 nan 0.000 0.530 244 P HA 0.193 nan 4.420 nan 0.000 0.275 244 P C -0.078 177.298 177.300 0.128 0.000 1.266 244 P CA -0.654 62.457 63.100 0.018 0.000 0.793 244 P CB 0.422 32.026 31.700 -0.159 0.000 1.074 245 S N -0.941 114.842 115.700 0.138 0.000 2.593 245 S HA 0.294 4.765 4.470 0.001 0.000 0.269 245 S C 1.491 176.215 174.600 0.208 0.000 1.334 245 S CA -0.048 58.248 58.200 0.159 0.000 1.015 245 S CB 0.285 63.569 63.200 0.140 0.000 0.912 245 S HN 0.581 nan 8.310 nan 0.000 0.541 246 A N 0.745 123.652 122.820 0.145 0.000 1.940 246 A HA -0.135 4.185 4.320 0.001 0.000 0.219 246 A C 2.123 179.778 177.584 0.117 0.000 1.176 246 A CA 1.741 53.851 52.037 0.122 0.000 0.631 246 A CB -1.190 17.858 19.000 0.081 0.000 0.814 246 A HN 1.019 nan 8.150 nan 0.000 0.446 247 E N -1.209 119.064 120.200 0.120 0.000 2.070 247 E HA -0.252 4.099 4.350 0.001 0.000 0.197 247 E C 1.766 178.444 176.600 0.129 0.000 1.004 247 E CA 1.696 58.160 56.400 0.107 0.000 0.805 247 E CB -0.277 29.488 29.700 0.109 0.000 0.744 247 E HN 0.673 nan 8.360 nan 0.000 0.451 248 F N 0.646 120.626 119.950 0.049 0.000 2.113 248 F HA -0.124 4.404 4.527 0.001 0.000 0.297 248 F C 2.222 178.042 175.800 0.034 0.000 1.103 248 F CA 1.502 59.532 58.000 0.049 0.000 1.248 248 F CB -0.151 38.896 39.000 0.079 0.000 0.999 248 F HN -0.014 nan 8.300 nan 0.000 0.475 249 M N 0.215 119.905 119.600 0.149 0.000 2.279 249 M HA -0.152 4.329 4.480 0.001 0.000 0.264 249 M C 2.293 178.540 176.300 -0.088 0.000 1.062 249 M CA 1.377 56.689 55.300 0.019 0.000 1.099 249 M CB -0.615 32.077 32.600 0.153 0.000 1.394 249 M HN 0.335 nan 8.290 nan 0.000 0.426 250 A N 0.186 122.974 122.820 -0.053 0.000 2.125 250 A HA 0.054 4.375 4.320 0.001 0.000 0.219 250 A C 2.193 179.713 177.584 -0.107 0.000 1.156 250 A CA 1.620 53.623 52.037 -0.057 0.000 0.671 250 A CB -0.624 18.364 19.000 -0.019 0.000 0.794 250 A HN 0.501 nan 8.150 nan 0.000 0.459 251 A N -0.893 121.812 122.820 -0.192 0.000 2.218 251 A HA 0.463 4.784 4.320 0.001 0.000 0.209 251 A C 0.795 178.237 177.584 -0.237 0.000 1.168 251 A CA -0.183 51.727 52.037 -0.212 0.000 0.804 251 A CB -0.244 18.602 19.000 -0.255 0.000 0.834 251 A HN 0.418 nan 8.150 nan 0.000 0.482 252 L N 0.826 121.897 121.223 -0.254 0.000 2.395 252 L HA 0.172 4.513 4.340 0.001 0.000 0.269 252 L C 0.224 177.014 176.870 -0.133 0.000 1.133 252 L CA -0.830 53.880 54.840 -0.217 0.000 0.812 252 L CB 0.555 42.483 42.059 -0.217 0.000 1.125 252 L HN 0.296 nan 8.230 nan 0.000 0.452 253 Q N 2.439 122.170 119.800 -0.116 0.000 2.395 253 Q HA 0.028 4.369 4.340 0.001 0.000 0.271 253 Q C -1.554 174.408 176.000 -0.063 0.000 1.026 253 Q CA -1.304 54.450 55.803 -0.081 0.000 0.900 253 Q CB 0.402 29.094 28.738 -0.077 0.000 1.266 253 Q HN 0.339 nan 8.270 nan 0.000 0.430 254 P HA -0.174 nan 4.420 nan 0.000 0.216 254 P C 1.009 178.300 177.300 -0.014 0.000 1.154 254 P CA 1.732 64.816 63.100 -0.027 0.000 0.865 254 P CB 0.215 31.903 31.700 -0.021 0.000 0.789 255 T N -0.902 113.640 114.554 -0.020 0.000 2.701 255 T HA -0.096 4.255 4.350 0.001 0.000 0.263 255 T C 1.846 176.552 174.700 0.009 0.000 1.040 255 T CA 1.502 63.599 62.100 -0.005 0.000 1.147 255 T CB -1.155 67.698 68.868 -0.023 0.000 0.865 255 T HN -0.097 nan 8.240 nan 0.000 0.426 256 V N 1.663 121.556 119.914 -0.035 0.000 2.343 256 V HA -0.162 3.959 4.120 0.001 0.000 0.247 256 V C 2.614 178.710 176.094 0.004 0.000 1.051 256 V CA 1.652 63.924 62.300 -0.047 0.000 1.036 256 V CB -0.751 30.995 31.823 -0.128 0.000 0.654 256 V HN 0.357 nan 8.190 nan 0.000 0.451 257 R N 0.595 121.081 120.500 -0.022 0.000 2.083 257 R HA -0.230 4.110 4.340 0.001 0.000 0.237 257 R C 2.329 178.652 176.300 0.038 0.000 1.137 257 R CA 2.209 58.304 56.100 -0.009 0.000 0.951 257 R CB -0.469 29.815 30.300 -0.027 0.000 0.851 257 R HN 0.660 nan 8.270 nan 0.000 0.434 258 N N -0.528 118.201 118.700 0.049 0.000 2.216 258 N HA -0.208 4.533 4.740 0.001 0.000 0.183 258 N C 1.829 177.387 175.510 0.081 0.000 1.017 258 N CA 0.978 54.062 53.050 0.056 0.000 0.861 258 N CB -0.114 38.401 38.487 0.047 0.000 0.986 258 N HN 0.274 nan 8.380 nan 0.000 0.428 259 Y N 1.921 122.220 120.300 -0.001 0.000 2.128 259 Y HA -0.214 4.337 4.550 0.002 0.000 0.284 259 Y C 2.270 178.203 175.900 0.054 0.000 1.154 259 Y CA 1.584 59.693 58.100 0.015 0.000 1.149 259 Y CB -0.509 37.941 38.460 -0.018 0.000 0.976 259 Y HN -0.153 nan 8.280 nan 0.000 0.505 260 V N 0.762 120.731 119.914 0.090 0.000 2.343 260 V HA -0.288 3.832 4.120 0.001 0.000 0.247 260 V C 2.094 178.259 176.094 0.119 0.000 1.051 260 V CA 2.318 64.686 62.300 0.113 0.000 1.036 260 V CB -0.623 31.254 31.823 0.091 0.000 0.654 260 V HN 0.443 nan 8.190 nan 0.000 0.451 261 E N 0.201 120.445 120.200 0.073 0.000 2.268 261 E HA -0.176 4.175 4.350 0.001 0.000 0.195 261 E C 1.769 178.376 176.600 0.011 0.000 0.995 261 E CA 0.924 57.359 56.400 0.058 0.000 0.836 261 E CB -0.152 29.577 29.700 0.048 0.000 0.763 261 E HN 0.560 nan 8.360 nan 0.000 0.491 262 N N 0.465 119.139 118.700 -0.044 0.000 2.446 262 N HA -0.018 4.722 4.740 0.001 0.000 0.179 262 N C 0.177 175.633 175.510 -0.091 0.000 1.054 262 N CA 0.415 53.421 53.050 -0.073 0.000 0.905 262 N CB 0.249 38.679 38.487 -0.094 0.000 0.973 262 N HN 0.026 nan 8.380 nan 0.000 0.448 263 R N 1.687 122.134 120.500 -0.088 0.000 2.594 263 R HA 0.213 4.554 4.340 0.001 0.000 0.272 263 R C -2.084 174.198 176.300 -0.030 0.000 1.074 263 R CA -1.376 54.702 56.100 -0.036 0.000 1.105 263 R CB -0.679 29.661 30.300 0.067 0.000 1.008 263 R HN 0.082 nan 8.270 nan 0.000 0.472 264 P HA -0.044 nan 4.420 nan 0.000 0.265 264 P C -0.501 176.579 177.300 -0.367 0.000 1.187 264 P CA 0.314 63.270 63.100 -0.239 0.000 0.766 264 P CB 0.418 31.912 31.700 -0.343 0.000 0.820 265 K N 2.551 122.749 120.400 -0.336 0.000 2.298 265 K HA 0.251 4.572 4.320 0.001 0.000 0.280 265 K C -0.294 176.034 176.600 -0.452 0.000 1.032 265 K CA 0.034 56.173 56.287 -0.247 0.000 0.958 265 K CB 0.170 32.599 32.500 -0.118 0.000 0.978 265 K HN 0.442 nan 8.250 nan 0.000 0.472 266 Y N 2.308 122.592 120.300 -0.026 0.000 2.376 266 Y HA 0.202 4.754 4.550 0.002 0.000 0.340 266 Y C -1.280 174.608 175.900 -0.019 0.000 0.965 266 Y CA -2.053 56.027 58.100 -0.033 0.000 1.078 266 Y CB 1.637 40.059 38.460 -0.062 0.000 1.193 266 Y HN 0.458 nan 8.280 nan 0.000 0.452 267 P HA 0.107 nan 4.420 nan 0.000 0.222 267 P C 0.203 177.557 177.300 0.090 0.000 1.153 267 P CA 1.252 64.403 63.100 0.086 0.000 0.798 267 P CB 0.631 32.369 31.700 0.063 0.000 0.796 268 G N 0.439 109.299 108.800 0.100 0.000 2.785 268 G HA2 -0.140 3.820 3.960 0.001 0.000 0.686 268 G HA3 -0.140 3.820 3.960 0.001 0.000 0.686 268 G C -0.774 174.156 174.900 0.051 0.000 1.155 268 G CA -0.759 44.379 45.100 0.064 0.000 0.760 268 G HN 0.167 nan 8.290 nan 0.000 0.624 269 I N 2.306 122.883 120.570 0.010 0.000 2.342 269 I HA 0.234 4.404 4.170 0.001 0.000 0.291 269 I C 1.253 177.384 176.117 0.023 0.000 1.010 269 I CA -0.651 60.641 61.300 -0.014 0.000 1.308 269 I CB 1.158 39.103 38.000 -0.091 0.000 1.400 269 I HN 0.375 nan 8.210 nan 0.000 0.488 270 K N 4.679 125.116 120.400 0.062 0.000 2.550 270 K HA -0.078 4.243 4.320 0.001 0.000 0.280 270 K C 0.555 177.236 176.600 0.135 0.000 0.987 270 K CA 0.412 56.777 56.287 0.129 0.000 1.048 270 K CB 0.413 32.972 32.500 0.098 0.000 0.879 270 K HN 0.466 nan 8.250 nan 0.000 0.491 271 F N 2.068 122.070 119.950 0.088 0.000 2.216 271 F HA -0.136 4.392 4.527 0.001 0.000 0.300 271 F C 1.874 177.770 175.800 0.159 0.000 1.085 271 F CA 1.355 59.449 58.000 0.157 0.000 1.326 271 F CB 0.013 39.097 39.000 0.140 0.000 1.027 271 F HN 0.618 nan 8.300 nan 0.000 0.497 272 E N -0.266 120.080 120.200 0.243 0.000 2.209 272 E HA -0.219 4.132 4.350 0.001 0.000 0.196 272 E C 1.959 178.627 176.600 0.113 0.000 0.993 272 E CA 1.291 57.787 56.400 0.161 0.000 0.819 272 E CB -0.195 29.574 29.700 0.114 0.000 0.745 272 E HN 0.508 nan 8.360 nan 0.000 0.477 273 E N -0.361 119.877 120.200 0.063 0.000 2.132 273 E HA 0.055 4.406 4.350 0.001 0.000 0.193 273 E C 1.848 178.382 176.600 -0.109 0.000 0.951 273 E CA 0.012 56.412 56.400 0.001 0.000 0.843 273 E CB 0.083 29.781 29.700 -0.004 0.000 0.807 273 E HN 0.136 nan 8.360 nan 0.000 0.467 274 L N -0.007 121.084 121.223 -0.219 0.000 2.042 274 L HA -0.106 4.234 4.340 0.001 0.000 0.210 274 L C 0.318 176.747 176.870 -0.735 0.000 1.076 274 L CA 1.009 55.526 54.840 -0.538 0.000 0.749 274 L CB 0.005 41.604 42.059 -0.767 0.000 0.893 274 L HN 0.123 nan 8.230 nan 0.000 0.432 275 F N -0.357 119.505 119.950 -0.147 0.000 2.564 275 F HA 0.357 4.884 4.527 0.001 0.000 0.361 275 F C -2.226 173.636 175.800 0.104 0.000 1.161 275 F CA -2.479 55.497 58.000 -0.041 0.000 1.198 275 F CB 0.351 39.425 39.000 0.123 0.000 1.424 275 F HN -0.174 nan 8.300 nan 0.000 0.517 276 P HA 0.145 nan 4.420 nan 0.000 0.276 276 P C 0.395 177.811 177.300 0.194 0.000 1.252 276 P CA -0.213 62.955 63.100 0.113 0.000 0.802 276 P CB 1.204 32.957 31.700 0.088 0.000 1.035 277 D N 0.398 120.935 120.400 0.229 0.000 2.158 277 D HA -0.168 4.473 4.640 0.001 0.000 0.197 277 D C 1.744 178.220 176.300 0.293 0.000 0.995 277 D CA 1.330 55.483 54.000 0.256 0.000 0.846 277 D CB -0.491 40.418 40.800 0.182 0.000 0.941 277 D HN 0.614 nan 8.370 nan 0.000 0.456 278 W N 2.251 123.647 121.300 0.160 0.000 2.374 278 W HA -0.098 4.562 4.660 0.001 0.000 0.288 278 W C 1.802 178.367 176.519 0.076 0.000 1.218 278 W CA 0.517 57.922 57.345 0.100 0.000 1.245 278 W CB -0.831 28.660 29.460 0.051 0.000 1.126 278 W HN 0.060 nan 8.180 nan 0.000 0.545 279 I N -1.899 118.226 120.570 -0.741 0.000 2.830 279 I HA 0.113 4.284 4.170 0.001 0.000 0.263 279 I C 0.410 176.255 176.117 -0.454 0.000 1.230 279 I CA 0.392 61.186 61.300 -0.844 0.000 1.480 279 I CB -0.743 36.607 38.000 -1.084 0.000 1.095 279 I HN -0.295 nan 8.210 nan 0.000 0.455 280 F N 2.126 121.979 119.950 -0.162 0.000 2.378 280 F HA 0.515 5.043 4.527 0.001 0.000 0.325 280 F C -2.021 173.743 175.800 -0.060 0.000 1.097 280 F CA -2.627 55.312 58.000 -0.103 0.000 1.079 280 F CB -0.130 38.870 39.000 -0.001 0.000 1.240 280 F HN -0.283 nan 8.300 nan 0.000 0.519 281 P HA 0.070 nan 4.420 nan 0.000 0.263 281 P C -0.927 176.485 177.300 0.187 0.000 1.195 281 P CA 0.040 63.181 63.100 0.069 0.000 0.762 281 P CB 0.501 32.176 31.700 -0.042 0.000 0.799 282 S N 0.992 116.788 115.700 0.159 0.000 2.356 282 S HA 0.352 4.822 4.470 0.001 0.000 0.171 282 S C 0.142 174.812 174.600 0.116 0.000 1.399 282 S CA -0.543 57.749 58.200 0.153 0.000 1.225 282 S CB 0.433 63.729 63.200 0.160 0.000 1.271 282 S HN 0.140 nan 8.310 nan 0.000 0.427 283 E N 1.589 121.852 120.200 0.106 0.000 2.330 283 E HA 0.205 4.556 4.350 0.001 0.000 0.200 283 E C 0.869 177.510 176.600 0.069 0.000 0.922 283 E CA 0.670 57.118 56.400 0.080 0.000 0.935 283 E CB 0.695 30.438 29.700 0.072 0.000 0.917 283 E HN 0.779 nan 8.360 nan 0.000 0.491 284 S N -0.705 115.040 115.700 0.075 0.000 2.745 284 S HA 0.381 4.852 4.470 0.001 0.000 0.306 284 S C 0.810 175.442 174.600 0.053 0.000 1.137 284 S CA -0.723 57.511 58.200 0.057 0.000 0.900 284 S CB 1.715 64.946 63.200 0.050 0.000 1.176 284 S HN -0.121 nan 8.310 nan 0.000 0.520 285 E N 0.721 120.941 120.200 0.035 0.000 2.208 285 E HA -0.047 4.303 4.350 0.001 0.000 0.193 285 E C 1.993 178.602 176.600 0.016 0.000 0.988 285 E CA 1.196 57.610 56.400 0.023 0.000 0.828 285 E CB -0.177 29.531 29.700 0.013 0.000 0.763 285 E HN 0.660 nan 8.360 nan 0.000 0.478 286 R N 0.128 120.639 120.500 0.018 0.000 2.115 286 R HA -0.097 4.244 4.340 0.001 0.000 0.226 286 R C 1.029 177.338 176.300 0.014 0.000 1.100 286 R CA 1.491 57.594 56.100 0.005 0.000 0.980 286 R CB -0.085 30.217 30.300 0.003 0.000 0.875 286 R HN 0.096 nan 8.270 nan 0.000 0.445 287 D N 0.881 121.323 120.400 0.071 0.000 2.144 287 D HA -0.123 4.518 4.640 0.001 0.000 0.200 287 D C 1.579 177.927 176.300 0.081 0.000 0.978 287 D CA 1.197 55.289 54.000 0.154 0.000 0.833 287 D CB 0.048 40.984 40.800 0.227 0.000 0.961 287 D HN 0.310 nan 8.370 nan 0.000 0.470 288 K N 0.277 120.705 120.400 0.045 0.000 2.057 288 K HA -0.060 4.261 4.320 0.001 0.000 0.207 288 K C 2.311 178.878 176.600 -0.055 0.000 1.049 288 K CA 0.638 56.930 56.287 0.009 0.000 0.931 288 K CB -0.013 32.497 32.500 0.017 0.000 0.714 288 K HN 0.167 nan 8.250 nan 0.000 0.440 289 I N 1.428 121.963 120.570 -0.057 0.000 2.179 289 I HA -0.308 3.862 4.170 0.001 0.000 0.242 289 I C 2.190 178.229 176.117 -0.130 0.000 1.088 289 I CA 1.481 62.734 61.300 -0.077 0.000 1.357 289 I CB -0.174 37.792 38.000 -0.056 0.000 1.051 289 I HN 0.119 nan 8.210 nan 0.000 0.409 290 K N 0.050 120.332 120.400 -0.197 0.000 2.097 290 K HA -0.124 4.197 4.320 0.001 0.000 0.206 290 K C 2.095 178.366 176.600 -0.548 0.000 1.049 290 K CA 1.761 57.840 56.287 -0.346 0.000 0.933 290 K CB -0.288 31.857 32.500 -0.592 0.000 0.717 290 K HN 0.276 nan 8.250 nan 0.000 0.442 291 T N 0.805 115.081 114.554 -0.464 0.000 2.720 291 T HA -0.185 4.166 4.350 0.001 0.000 0.268 291 T C 2.109 176.468 174.700 -0.568 0.000 1.037 291 T CA 1.856 63.655 62.100 -0.502 0.000 1.144 291 T CB -0.323 68.366 68.868 -0.298 0.000 0.864 291 T HN 0.418 nan 8.240 nan 0.000 0.444 292 S N 1.632 117.141 115.700 -0.319 0.000 2.382 292 S HA -0.197 4.274 4.470 0.001 0.000 0.228 292 S C 2.052 176.532 174.600 -0.200 0.000 1.027 292 S CA 1.128 59.194 58.200 -0.223 0.000 0.991 292 S CB -0.525 62.601 63.200 -0.123 0.000 0.823 292 S HN 0.573 nan 8.310 nan 0.000 0.469 293 Q N 1.275 120.970 119.800 -0.175 0.000 2.079 293 Q HA 0.102 4.443 4.340 0.001 0.000 0.200 293 Q C 2.686 178.542 176.000 -0.239 0.000 0.974 293 Q CA 1.405 57.196 55.803 -0.021 0.000 0.840 293 Q CB -0.588 28.232 28.738 0.136 0.000 0.898 293 Q HN 0.758 nan 8.270 nan 0.000 0.430 294 A N 1.419 123.813 122.820 -0.709 0.000 1.883 294 A HA -0.243 4.078 4.320 0.001 0.000 0.217 294 A C 2.061 179.342 177.584 -0.505 0.000 1.186 294 A CA 1.673 53.121 52.037 -0.980 0.000 0.624 294 A CB -0.563 17.832 19.000 -1.008 0.000 0.822 294 A HN 0.249 nan 8.150 nan 0.000 0.444 295 R N -0.369 119.869 120.500 -0.437 0.000 2.081 295 R HA -0.206 4.135 4.340 0.001 0.000 0.235 295 R C 1.953 178.119 176.300 -0.224 0.000 1.131 295 R CA 2.039 57.999 56.100 -0.233 0.000 0.960 295 R CB -0.442 29.761 30.300 -0.162 0.000 0.856 295 R HN 0.592 nan 8.270 nan 0.000 0.436 296 D N 0.013 120.295 120.400 -0.196 0.000 2.104 296 D HA -0.206 4.435 4.640 0.001 0.000 0.194 296 D C 1.909 178.078 176.300 -0.219 0.000 0.994 296 D CA 1.109 55.029 54.000 -0.133 0.000 0.830 296 D CB -0.072 40.754 40.800 0.043 0.000 0.959 296 D HN 0.189 nan 8.370 nan 0.000 0.452 297 L N 0.290 121.274 121.223 -0.398 0.000 2.042 297 L HA -0.078 4.262 4.340 0.001 0.000 0.210 297 L C 2.236 178.904 176.870 -0.337 0.000 1.076 297 L CA 1.478 55.988 54.840 -0.550 0.000 0.749 297 L CB -0.723 40.871 42.059 -0.775 0.000 0.893 297 L HN 0.249 nan 8.230 nan 0.000 0.432 298 L N -0.741 120.283 121.223 -0.332 0.000 2.042 298 L HA -0.260 4.081 4.340 0.001 0.000 0.210 298 L C 2.619 179.255 176.870 -0.389 0.000 1.076 298 L CA 1.720 56.383 54.840 -0.296 0.000 0.749 298 L CB -0.579 41.287 42.059 -0.322 0.000 0.893 298 L HN 0.569 nan 8.230 nan 0.000 0.432 299 S N -1.158 114.130 115.700 -0.687 0.000 2.474 299 S HA -0.149 4.321 4.470 0.001 0.000 0.235 299 S C 1.719 176.043 174.600 -0.460 0.000 0.997 299 S CA 0.753 58.308 58.200 -1.074 0.000 0.949 299 S CB -0.138 62.456 63.200 -1.010 0.000 0.766 299 S HN 0.429 nan 8.310 nan 0.000 0.517 300 K N -0.188 120.050 120.400 -0.271 0.000 2.354 300 K HA 0.364 4.685 4.320 0.001 0.000 0.194 300 K C 1.809 178.384 176.600 -0.041 0.000 1.045 300 K CA 0.267 56.486 56.287 -0.114 0.000 1.026 300 K CB 0.000 32.460 32.500 -0.067 0.000 0.866 300 K HN 0.388 nan 8.250 nan 0.000 0.530 301 M N 0.436 119.995 119.600 -0.069 0.000 2.325 301 M HA 0.057 4.538 4.480 0.001 0.000 0.265 301 M C 0.666 176.988 176.300 0.036 0.000 1.094 301 M CA 0.944 56.242 55.300 -0.003 0.000 1.161 301 M CB 0.241 32.808 32.600 -0.054 0.000 1.358 301 M HN -0.037 nan 8.290 nan 0.000 0.446 302 L N 2.070 123.269 121.223 -0.039 0.000 2.480 302 L HA 0.215 4.556 4.340 0.001 0.000 0.243 302 L C -0.932 176.086 176.870 0.246 0.000 1.315 302 L CA -0.553 54.260 54.840 -0.044 0.000 1.231 302 L CB -0.573 41.509 42.059 0.039 0.000 1.444 302 L HN -0.036 nan 8.230 nan 0.000 0.409 303 V N 1.587 121.721 119.914 0.368 0.000 2.409 303 V HA 0.239 4.360 4.120 0.001 0.000 0.291 303 V C 1.297 177.606 176.094 0.359 0.000 1.020 303 V CA -0.468 62.007 62.300 0.292 0.000 0.848 303 V CB 2.256 34.175 31.823 0.161 0.000 0.990 303 V HN 0.440 nan 8.190 nan 0.000 0.430 304 I N 1.330 122.001 120.570 0.170 0.000 2.163 304 I HA -0.115 4.056 4.170 0.001 0.000 0.243 304 I C 1.192 177.208 176.117 -0.168 0.000 1.085 304 I CA 1.380 62.601 61.300 -0.131 0.000 1.347 304 I CB 0.054 37.852 38.000 -0.337 0.000 1.044 304 I HN 0.676 nan 8.210 nan 0.000 0.408 305 D N 1.976 122.320 120.400 -0.093 0.000 2.338 305 D HA 0.044 4.684 4.640 0.001 0.000 0.255 305 D C -1.470 174.936 176.300 0.177 0.000 1.237 305 D CA -2.307 51.783 54.000 0.149 0.000 0.883 305 D CB 1.122 42.032 40.800 0.183 0.000 1.087 305 D HN 0.037 nan 8.370 nan 0.000 0.485 306 P HA -0.122 nan 4.420 nan 0.000 0.221 306 P C 0.540 177.923 177.300 0.139 0.000 1.145 306 P CA 0.684 63.882 63.100 0.164 0.000 0.795 306 P CB 0.523 32.315 31.700 0.153 0.000 0.775 307 D N 0.215 120.698 120.400 0.138 0.000 2.219 307 D HA -0.091 4.550 4.640 0.001 0.000 0.205 307 D C 1.653 178.013 176.300 0.100 0.000 0.970 307 D CA 1.063 55.128 54.000 0.108 0.000 0.851 307 D CB -0.131 40.731 40.800 0.103 0.000 0.943 307 D HN 0.304 nan 8.370 nan 0.000 0.488 308 K N 0.194 120.659 120.400 0.109 0.000 2.353 308 K HA 0.105 4.425 4.320 0.001 0.000 0.195 308 K C 0.938 177.592 176.600 0.091 0.000 1.031 308 K CA -0.292 56.049 56.287 0.090 0.000 1.079 308 K CB 1.199 33.749 32.500 0.083 0.000 0.857 308 K HN -0.002 nan 8.250 nan 0.000 0.535 309 R N 1.823 122.392 120.500 0.115 0.000 2.490 309 R HA 0.197 4.538 4.340 0.001 0.000 0.280 309 R C 0.023 176.387 176.300 0.107 0.000 1.077 309 R CA -0.215 55.962 56.100 0.127 0.000 1.065 309 R CB 0.475 30.883 30.300 0.180 0.000 1.003 309 R HN 0.026 nan 8.270 nan 0.000 0.470 310 I N 2.810 123.435 120.570 0.091 0.000 2.752 310 I HA -0.088 4.083 4.170 0.001 0.000 0.287 310 I C 0.288 176.469 176.117 0.107 0.000 1.188 310 I CA 0.580 61.932 61.300 0.086 0.000 1.427 310 I CB 0.783 38.823 38.000 0.067 0.000 1.365 310 I HN 0.793 nan 8.210 nan 0.000 0.585 311 S N 5.265 121.029 115.700 0.106 0.000 2.652 311 S HA 0.230 4.701 4.470 0.001 0.000 0.270 311 S C 0.999 175.676 174.600 0.128 0.000 1.243 311 S CA -0.902 57.370 58.200 0.121 0.000 0.999 311 S CB 1.765 65.030 63.200 0.108 0.000 0.973 311 S HN 0.488 nan 8.310 nan 0.000 0.544 312 V N 1.543 121.546 119.914 0.147 0.000 2.407 312 V HA -0.181 3.939 4.120 0.001 0.000 0.248 312 V C 2.011 178.182 176.094 0.129 0.000 1.055 312 V CA 2.355 64.730 62.300 0.126 0.000 1.049 312 V CB -1.398 30.493 31.823 0.114 0.000 0.662 312 V HN 0.871 nan 8.190 nan 0.000 0.455 313 D N 0.308 120.789 120.400 0.134 0.000 2.103 313 D HA -0.203 4.437 4.640 0.001 0.000 0.190 313 D C 2.155 178.539 176.300 0.140 0.000 0.997 313 D CA 1.697 55.780 54.000 0.139 0.000 0.833 313 D CB -0.301 40.569 40.800 0.118 0.000 0.961 313 D HN 0.538 nan 8.370 nan 0.000 0.447 314 E N 0.343 120.615 120.200 0.121 0.000 2.085 314 E HA -0.149 4.201 4.350 0.001 0.000 0.194 314 E C 2.148 178.842 176.600 0.156 0.000 0.994 314 E CA 1.113 57.584 56.400 0.118 0.000 0.801 314 E CB -0.174 29.588 29.700 0.102 0.000 0.743 314 E HN 0.278 nan 8.360 nan 0.000 0.453 315 A N 0.964 123.876 122.820 0.154 0.000 1.940 315 A HA -0.175 4.146 4.320 0.001 0.000 0.219 315 A C 2.164 179.886 177.584 0.230 0.000 1.176 315 A CA 1.106 53.243 52.037 0.167 0.000 0.631 315 A CB -0.626 18.441 19.000 0.111 0.000 0.814 315 A HN 0.173 nan 8.150 nan 0.000 0.446 316 L N -1.407 119.961 121.223 0.241 0.000 2.201 316 L HA -0.120 4.221 4.340 0.001 0.000 0.212 316 L C 2.639 179.725 176.870 0.361 0.000 1.105 316 L CA 1.063 56.118 54.840 0.357 0.000 0.775 316 L CB -0.255 42.046 42.059 0.402 0.000 0.913 316 L HN 0.347 nan 8.230 nan 0.000 0.440 317 R N -1.928 118.700 120.500 0.214 0.000 2.297 317 R HA 0.006 4.347 4.340 0.001 0.000 0.197 317 R C 0.700 177.058 176.300 0.096 0.000 0.943 317 R CA -0.186 55.961 56.100 0.079 0.000 1.038 317 R CB -0.066 30.238 30.300 0.006 0.000 0.957 317 R HN 0.260 nan 8.270 nan 0.000 0.484 318 H N 1.605 120.729 119.070 0.091 0.000 2.928 318 H HA 0.002 4.559 4.556 0.001 0.000 0.338 318 H C -1.725 173.655 175.328 0.087 0.000 1.047 318 H CA -1.305 54.792 56.048 0.082 0.000 1.435 318 H CB 1.488 31.314 29.762 0.107 0.000 1.428 318 H HN -0.157 nan 8.280 nan 0.000 0.590 319 P HA -0.235 nan 4.420 nan 0.000 0.218 319 P C 1.158 178.561 177.300 0.171 0.000 1.152 319 P CA 1.388 64.464 63.100 -0.039 0.000 0.857 319 P CB -0.189 31.410 31.700 -0.168 0.000 0.787 320 Y N -0.353 120.126 120.300 0.299 0.000 2.274 320 Y HA -0.153 4.398 4.550 0.001 0.000 0.290 320 Y C 1.930 177.956 175.900 0.209 0.000 1.145 320 Y CA 1.312 59.536 58.100 0.208 0.000 1.203 320 Y CB -0.366 38.205 38.460 0.186 0.000 0.984 320 Y HN -0.118 nan 8.280 nan 0.000 0.533 321 I N -2.277 118.459 120.570 0.277 0.000 3.339 321 I HA -0.074 4.096 4.170 0.001 0.000 0.285 321 I C 2.270 178.516 176.117 0.216 0.000 1.201 321 I CA 1.022 62.490 61.300 0.282 0.000 1.434 321 I CB -1.470 36.758 38.000 0.381 0.000 1.152 321 I HN 0.066 nan 8.210 nan 0.000 0.443 322 T N 1.941 116.587 114.554 0.153 0.000 2.977 322 T HA -0.067 4.284 4.350 0.001 0.000 0.271 322 T C 2.028 176.711 174.700 -0.027 0.000 1.105 322 T CA 1.390 63.554 62.100 0.107 0.000 1.116 322 T CB -0.324 68.558 68.868 0.022 0.000 0.878 322 T HN 0.246 nan 8.240 nan 0.000 0.509 323 V N -2.109 117.693 119.914 -0.186 0.000 2.688 323 V HA -0.057 4.064 4.120 0.001 0.000 0.256 323 V C 1.776 177.528 176.094 -0.571 0.000 1.084 323 V CA 1.273 63.319 62.300 -0.422 0.000 1.103 323 V CB -1.062 30.390 31.823 -0.619 0.000 0.688 323 V HN 0.696 nan 8.190 nan 0.000 0.480 324 W N -1.843 119.287 121.300 -0.282 0.000 3.177 324 W HA 0.383 5.044 4.660 0.001 0.000 0.309 324 W C 0.934 177.081 176.519 -0.620 0.000 1.224 324 W CA -0.855 56.165 57.345 -0.542 0.000 1.718 324 W CB -0.020 28.907 29.460 -0.888 0.000 1.078 324 W HN 0.189 nan 8.180 nan 0.000 0.618 325 Y N 3.213 123.372 120.300 -0.236 0.000 2.650 325 Y HA 0.005 4.556 4.550 0.001 0.000 0.331 325 Y C -0.063 175.893 175.900 0.094 0.000 1.165 325 Y CA 0.589 58.700 58.100 0.018 0.000 1.473 325 Y CB 0.153 38.668 38.460 0.092 0.000 1.224 325 Y HN -0.218 nan 8.280 nan 0.000 0.533 326 D N 8.237 128.644 120.400 0.011 0.000 2.620 326 D HA 0.301 4.942 4.640 0.001 0.000 0.252 326 D C -2.296 173.955 176.300 -0.082 0.000 1.207 326 D CA -2.535 51.509 54.000 0.073 0.000 0.884 326 D CB 2.232 43.101 40.800 0.116 0.000 1.262 326 D HN 0.202 nan 8.370 nan 0.000 0.552 327 P HA -0.052 nan 4.420 nan 0.000 0.219 327 P C 1.037 178.360 177.300 0.039 0.000 1.146 327 P CA 1.083 64.232 63.100 0.082 0.000 0.808 327 P CB 0.224 32.046 31.700 0.203 0.000 0.779 328 A N -0.287 122.557 122.820 0.040 0.000 2.019 328 A HA -0.218 4.102 4.320 0.001 0.000 0.219 328 A C 2.003 179.587 177.584 0.001 0.000 1.164 328 A CA 1.672 53.724 52.037 0.026 0.000 0.644 328 A CB -0.845 18.169 19.000 0.023 0.000 0.805 328 A HN 0.237 nan 8.150 nan 0.000 0.449 329 E N -0.919 119.281 120.200 -0.001 0.000 2.110 329 E HA 0.219 4.569 4.350 0.001 0.000 0.193 329 E C 2.027 178.672 176.600 0.074 0.000 0.950 329 E CA 0.569 56.970 56.400 0.002 0.000 0.840 329 E CB -0.116 29.607 29.700 0.038 0.000 0.809 329 E HN 0.481 nan 8.360 nan 0.000 0.465 330 A N 0.883 123.652 122.820 -0.085 0.000 2.208 330 A HA -0.035 4.285 4.320 0.001 0.000 0.209 330 A C 1.299 178.884 177.584 0.002 0.000 1.161 330 A CA 0.724 52.674 52.037 -0.145 0.000 0.782 330 A CB -0.035 18.677 19.000 -0.481 0.000 0.816 330 A HN 0.104 nan 8.150 nan 0.000 0.477 331 E N -0.713 119.521 120.200 0.057 0.000 2.641 331 E HA 0.312 4.663 4.350 0.001 0.000 0.224 331 E C 0.316 176.993 176.600 0.128 0.000 0.951 331 E CA -0.001 56.465 56.400 0.110 0.000 1.102 331 E CB 0.729 30.507 29.700 0.129 0.000 1.091 331 E HN 0.465 nan 8.360 nan 0.000 0.507 332 A N 3.786 126.702 122.820 0.159 0.000 2.561 332 A HA 0.118 4.439 4.320 0.001 0.000 0.251 332 A C -2.139 175.610 177.584 0.275 0.000 1.062 332 A CA -0.670 51.484 52.037 0.195 0.000 0.761 332 A CB -0.379 18.729 19.000 0.181 0.000 0.986 332 A HN -0.047 nan 8.150 nan 0.000 0.510 333 P HA 0.370 nan 4.420 nan 0.000 0.282 333 P C -2.785 174.607 177.300 0.154 0.000 1.249 333 P CA -1.679 61.492 63.100 0.119 0.000 0.806 333 P CB 0.633 32.377 31.700 0.072 0.000 0.984 334 P HA 0.196 nan 4.420 nan 0.000 0.277 334 P C -1.765 175.556 177.300 0.035 0.000 1.240 334 P CA -1.638 61.414 63.100 -0.080 0.000 0.798 334 P CB -0.129 31.340 31.700 -0.386 0.000 0.979 335 P HA -0.145 nan 4.420 nan 0.000 0.215 335 P C 0.363 177.683 177.300 0.033 0.000 1.153 335 P CA 1.792 64.924 63.100 0.053 0.000 0.853 335 P CB 0.326 32.059 31.700 0.055 0.000 0.788 336 Q N -1.955 117.865 119.800 0.033 0.000 2.685 336 Q HA 0.574 4.914 4.340 0.001 0.000 0.301 336 Q C -1.123 174.898 176.000 0.036 0.000 0.924 336 Q CA -1.036 54.785 55.803 0.030 0.000 0.755 336 Q CB 0.826 29.585 28.738 0.035 0.000 1.470 336 Q HN -0.134 nan 8.270 nan 0.000 0.434 337 I N 1.756 122.349 120.570 0.039 0.000 2.353 337 I HA 0.234 4.405 4.170 0.001 0.000 0.293 337 I C -0.569 175.606 176.117 0.097 0.000 0.992 337 I CA -0.966 60.370 61.300 0.059 0.000 1.268 337 I CB 0.739 38.761 38.000 0.037 0.000 1.387 337 I HN 0.591 nan 8.210 nan 0.000 0.478 338 Y N 5.978 126.286 120.300 0.014 0.000 2.620 338 Y HA 0.043 4.593 4.550 0.001 0.000 0.330 338 Y C -0.240 175.680 175.900 0.033 0.000 1.186 338 Y CA 0.008 58.123 58.100 0.024 0.000 1.467 338 Y CB 0.342 38.818 38.460 0.026 0.000 1.262 338 Y HN 0.488 nan 8.280 nan 0.000 0.550 339 D N 4.735 124.765 120.400 -0.616 0.000 2.481 339 D HA 0.413 5.053 4.640 0.001 0.000 0.246 339 D C -0.187 175.685 176.300 -0.714 0.000 1.109 339 D CA -0.207 53.492 54.000 -0.502 0.000 0.845 339 D CB 1.467 42.151 40.800 -0.194 0.000 1.160 339 D HN 0.686 nan 8.370 nan 0.000 0.534 340 A N 3.904 126.362 122.820 -0.603 0.000 2.278 340 A HA -0.015 4.306 4.320 0.001 0.000 0.212 340 A C 1.725 179.283 177.584 -0.043 0.000 1.213 340 A CA 0.204 52.055 52.037 -0.310 0.000 0.840 340 A CB -0.290 18.656 19.000 -0.090 0.000 0.866 340 A HN 0.698 nan 8.150 nan 0.000 0.489 341 Q N -0.498 119.267 119.800 -0.058 0.000 2.030 341 Q HA -0.192 4.149 4.340 0.001 0.000 0.204 341 Q C 1.511 177.543 176.000 0.053 0.000 0.986 341 Q CA 1.655 57.456 55.803 -0.002 0.000 0.843 341 Q CB -0.144 28.583 28.738 -0.018 0.000 0.904 341 Q HN 0.568 nan 8.270 nan 0.000 0.420 342 L N 0.806 122.095 121.223 0.111 0.000 2.217 342 L HA -0.114 4.227 4.340 0.001 0.000 0.211 342 L C 2.309 179.328 176.870 0.248 0.000 1.107 342 L CA 1.343 56.278 54.840 0.158 0.000 0.783 342 L CB -0.363 41.809 42.059 0.188 0.000 0.919 342 L HN 0.296 nan 8.230 nan 0.000 0.442 343 E N -0.190 120.250 120.200 0.400 0.000 2.107 343 E HA -0.185 4.165 4.350 0.001 0.000 0.191 343 E C 1.394 178.245 176.600 0.418 0.000 0.982 343 E CA 0.864 57.600 56.400 0.560 0.000 0.809 343 E CB 0.242 30.284 29.700 0.571 0.000 0.756 343 E HN 0.443 nan 8.360 nan 0.000 0.459 344 E N 0.501 120.837 120.200 0.227 0.000 2.489 344 E HA 0.038 4.389 4.350 0.001 0.000 0.193 344 E C 0.190 176.808 176.600 0.030 0.000 1.057 344 E CA -0.021 56.464 56.400 0.141 0.000 0.866 344 E CB 0.201 29.956 29.700 0.092 0.000 0.916 344 E HN 0.161 nan 8.360 nan 0.000 0.500 345 R N 1.335 121.800 120.500 -0.058 0.000 2.543 345 R HA 0.114 4.454 4.340 0.001 0.000 0.277 345 R C 0.314 176.277 176.300 -0.563 0.000 1.074 345 R CA 0.084 55.992 56.100 -0.320 0.000 1.076 345 R CB 0.600 30.635 30.300 -0.441 0.000 0.993 345 R HN 0.021 nan 8.270 nan 0.000 0.459 346 E N 2.024 121.931 120.200 -0.489 0.000 2.313 346 E HA 0.067 4.418 4.350 0.001 0.000 0.276 346 E C -0.878 175.276 176.600 -0.744 0.000 1.031 346 E CA -0.135 56.026 56.400 -0.398 0.000 0.857 346 E CB 0.559 30.158 29.700 -0.168 0.000 1.040 346 E HN 0.418 nan 8.360 nan 0.000 0.408 347 H N 1.283 120.150 119.070 -0.337 0.000 2.771 347 H HA 0.355 4.912 4.556 0.001 0.000 0.361 347 H C -0.569 174.640 175.328 -0.198 0.000 1.108 347 H CA -0.824 54.910 56.048 -0.525 0.000 1.201 347 H CB 1.648 30.602 29.762 -1.345 0.000 1.681 347 H HN 0.632 nan 8.280 nan 0.000 0.534 348 A N 2.372 125.196 122.820 0.007 0.000 2.448 348 A HA 0.112 4.433 4.320 0.001 0.000 0.239 348 A C 1.531 179.222 177.584 0.178 0.000 1.080 348 A CA -0.251 51.839 52.037 0.089 0.000 0.779 348 A CB 0.047 19.070 19.000 0.038 0.000 1.026 348 A HN 0.804 nan 8.150 nan 0.000 0.499 349 I N 0.248 120.965 120.570 0.244 0.000 2.248 349 I HA -0.296 3.874 4.170 0.001 0.000 0.248 349 I C 2.273 178.499 176.117 0.182 0.000 1.107 349 I CA 2.065 63.549 61.300 0.306 0.000 1.373 349 I CB -0.290 37.848 38.000 0.231 0.000 1.055 349 I HN 0.848 nan 8.210 nan 0.000 0.418 350 E N 0.265 120.504 120.200 0.064 0.000 2.153 350 E HA -0.225 4.125 4.350 0.001 0.000 0.194 350 E C 2.016 178.596 176.600 -0.033 0.000 0.988 350 E CA 1.107 57.491 56.400 -0.027 0.000 0.811 350 E CB -0.069 29.610 29.700 -0.034 0.000 0.746 350 E HN 0.591 nan 8.360 nan 0.000 0.466 351 E N 0.030 120.213 120.200 -0.028 0.000 2.051 351 E HA -0.136 4.215 4.350 0.001 0.000 0.189 351 E C 1.818 178.319 176.600 -0.166 0.000 0.979 351 E CA 0.628 56.956 56.400 -0.121 0.000 0.803 351 E CB -0.194 29.409 29.700 -0.162 0.000 0.761 351 E HN 0.344 nan 8.360 nan 0.000 0.451 352 W N 2.092 123.320 121.300 -0.121 0.000 2.318 352 W HA -0.225 4.435 4.660 0.001 0.000 0.313 352 W C 2.547 179.065 176.519 -0.001 0.000 1.221 352 W CA 1.107 58.384 57.345 -0.114 0.000 1.266 352 W CB -0.044 29.436 29.460 0.034 0.000 1.150 352 W HN 0.033 nan 8.180 nan 0.000 0.496 353 K N 0.781 121.315 120.400 0.223 0.000 2.044 353 K HA -0.299 4.021 4.320 0.001 0.000 0.210 353 K C 1.954 178.659 176.600 0.175 0.000 1.049 353 K CA 2.122 58.450 56.287 0.067 0.000 0.927 353 K CB -0.348 31.916 32.500 -0.393 0.000 0.713 353 K HN 0.187 nan 8.250 nan 0.000 0.443 354 E N 0.404 120.642 120.200 0.064 0.000 2.072 354 E HA -0.154 4.196 4.350 0.001 0.000 0.190 354 E C 2.131 178.799 176.600 0.113 0.000 0.982 354 E CA 0.781 57.225 56.400 0.073 0.000 0.803 354 E CB -0.042 29.657 29.700 -0.002 0.000 0.755 354 E HN 0.296 nan 8.360 nan 0.000 0.453 355 L N 0.679 121.927 121.223 0.042 0.000 1.990 355 L HA -0.240 4.100 4.340 0.001 0.000 0.213 355 L C 2.573 179.602 176.870 0.265 0.000 1.072 355 L CA 1.322 56.194 54.840 0.052 0.000 0.755 355 L CB -0.416 41.493 42.059 -0.249 0.000 0.889 355 L HN 0.297 nan 8.230 nan 0.000 0.432 356 I N -1.775 119.012 120.570 0.362 0.000 2.226 356 I HA -0.351 3.819 4.170 0.001 0.000 0.245 356 I C 2.522 178.775 176.117 0.227 0.000 1.100 356 I CA 1.345 62.903 61.300 0.430 0.000 1.374 356 I CB -0.416 37.919 38.000 0.558 0.000 1.057 356 I HN 0.185 nan 8.210 nan 0.000 0.413 357 Y N 2.094 122.364 120.300 -0.050 0.000 2.097 357 Y HA -0.314 4.236 4.550 0.001 0.000 0.282 357 Y C 2.504 178.275 175.900 -0.215 0.000 1.152 357 Y CA 1.765 59.571 58.100 -0.490 0.000 1.136 357 Y CB -0.300 37.867 38.460 -0.487 0.000 0.975 357 Y HN -0.018 nan 8.280 nan 0.000 0.498 358 K N -0.357 120.011 120.400 -0.054 0.000 2.063 358 K HA -0.244 4.077 4.320 0.001 0.000 0.208 358 K C 2.056 178.628 176.600 -0.047 0.000 1.048 358 K CA 1.716 57.960 56.287 -0.071 0.000 0.928 358 K CB -0.234 32.291 32.500 0.042 0.000 0.713 358 K HN 0.195 nan 8.250 nan 0.000 0.442 359 E N 0.571 120.801 120.200 0.049 0.000 2.118 359 E HA -0.155 4.195 4.350 0.001 0.000 0.195 359 E C 1.741 178.379 176.600 0.064 0.000 0.992 359 E CA 0.992 57.446 56.400 0.089 0.000 0.804 359 E CB 0.007 29.798 29.700 0.151 0.000 0.741 359 E HN 0.036 nan 8.360 nan 0.000 0.458 360 V N 0.182 120.076 119.914 -0.033 0.000 2.283 360 V HA -0.247 3.874 4.120 0.001 0.000 0.243 360 V C 2.303 178.375 176.094 -0.037 0.000 1.039 360 V CA 1.780 64.054 62.300 -0.043 0.000 1.016 360 V CB -0.438 31.301 31.823 -0.140 0.000 0.650 360 V HN 0.356 nan 8.190 nan 0.000 0.449 361 M N -0.316 119.143 119.600 -0.236 0.000 2.202 361 M HA -0.181 4.300 4.480 0.001 0.000 0.262 361 M C 1.741 178.020 176.300 -0.035 0.000 1.063 361 M CA 1.575 56.758 55.300 -0.195 0.000 1.097 361 M CB -1.202 31.166 32.600 -0.388 0.000 1.382 361 M HN 0.338 nan 8.290 nan 0.000 0.413 362 D N -0.913 119.484 120.400 -0.004 0.000 2.317 362 D HA -0.043 4.598 4.640 0.001 0.000 0.211 362 D C 0.489 176.836 176.300 0.078 0.000 0.966 362 D CA 0.125 54.142 54.000 0.029 0.000 0.876 362 D CB 0.126 40.941 40.800 0.025 0.000 0.927 362 D HN 0.292 nan 8.370 nan 0.000 0.519 363 W N 0.000 121.289 121.300 -0.019 0.000 2.388 363 W HA 0.000 4.661 4.660 0.001 0.000 0.303 363 W CA 0.000 57.349 57.345 0.007 0.000 1.226 363 W CB 0.000 29.472 29.460 0.020 0.000 1.126 363 W HN 0.000 nan 8.180 nan 0.000 0.535