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 3ity_1_A DATA FIRST_RESID 4 DATA SEQUENCE FRIAQDVVAR ENDRRASALK EDYEALGANL ARRGVDIEAV TAKVEKFFVA DATA SEQUENCE VPSWGVGTGG TRFARFPGTG EPRGIFDKLD DCAVIQQLTR ATPNVSLHIP DATA SEQUENCE WDKADPKELK ARGDALGLGF DAMNSNTFSD APGQAHSYKY GSLSHTNAAT DATA SEQUENCE RAQAVEHNLE CIEIGKAIGS KALTVWIGDG SNFPGQSNFT RAFERYLSAM DATA SEQUENCE AEIYKGLPDD WKLFSEHKMY EPAFYSTVVQ DWGTNYLIAQ TLGPKAQCLV DATA SEQUENCE DLGHHAPNTN IEMIVARLIQ FGKLGGFHFN DSKYGDDDLD AGAIEPYRLF DATA SEQUENCE LVFNELVDAE ARGVKGFHPA HMIDQSHNVT DPIESLINSA NEIRRAYAQA DATA SEQUENCE LLVDRAALSG YQEDNDALMA TETLKRAYRT DVEPILAEAR RRTGGAVDPV DATA SEQUENCE ATYRASGYRA RVAAERPASV A VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 F HA 0.000 nan 4.527 nan 0.000 0.279 4 F C 0.000 175.829 175.800 0.049 0.000 0.967 4 F CA 0.000 58.015 58.000 0.026 0.000 1.383 4 F CB 0.000 39.011 39.000 0.019 0.000 1.145 5 R N 1.200 121.825 120.500 0.208 0.000 2.081 5 R HA 0.059 4.400 4.340 0.001 0.000 0.235 5 R C 0.417 176.846 176.300 0.214 0.000 1.131 5 R CA 1.197 57.416 56.100 0.199 0.000 0.960 5 R CB 0.173 30.526 30.300 0.087 0.000 0.856 5 R HN 0.279 nan 8.270 nan 0.000 0.436 6 I N 0.841 121.506 120.570 0.158 0.000 2.404 6 I HA 0.233 4.404 4.170 0.001 0.000 0.293 6 I C 0.160 176.328 176.117 0.084 0.000 0.992 6 I CA -1.528 59.839 61.300 0.112 0.000 1.149 6 I CB 1.195 39.227 38.000 0.052 0.000 1.315 6 I HN -0.063 nan 8.210 nan 0.000 0.446 7 A N 6.128 128.981 122.820 0.055 0.000 2.548 7 A HA 0.055 4.375 4.320 0.001 0.000 0.247 7 A C 1.284 178.812 177.584 -0.092 0.000 1.067 7 A CA 0.091 52.126 52.037 -0.004 0.000 0.757 7 A CB 0.094 19.097 19.000 0.005 0.000 0.996 7 A HN 0.834 nan 8.150 nan 0.000 0.504 8 Q N 1.419 121.090 119.800 -0.215 0.000 2.135 8 Q HA -0.259 4.082 4.340 0.001 0.000 0.204 8 Q C 1.321 177.229 176.000 -0.153 0.000 0.981 8 Q CA 2.018 57.652 55.803 -0.281 0.000 0.856 8 Q CB -0.236 28.238 28.738 -0.439 0.000 0.902 8 Q HN 1.050 nan 8.270 nan 0.000 0.425 9 D N -0.057 120.278 120.400 -0.108 0.000 2.178 9 D HA -0.144 4.497 4.640 0.001 0.000 0.201 9 D C 1.709 177.977 176.300 -0.053 0.000 0.980 9 D CA 1.006 54.964 54.000 -0.069 0.000 0.842 9 D CB -0.357 40.414 40.800 -0.048 0.000 0.948 9 D HN 0.051 nan 8.370 nan 0.000 0.472 10 V N 0.431 120.316 119.914 -0.047 0.000 2.323 10 V HA -0.193 3.928 4.120 0.001 0.000 0.244 10 V C 2.672 178.745 176.094 -0.034 0.000 1.041 10 V CA 1.195 63.476 62.300 -0.031 0.000 1.025 10 V CB -0.370 31.442 31.823 -0.018 0.000 0.656 10 V HN 0.196 nan 8.190 nan 0.000 0.451 11 V N 0.568 120.453 119.914 -0.048 0.000 2.295 11 V HA -0.266 3.855 4.120 0.001 0.000 0.246 11 V C 2.741 178.807 176.094 -0.047 0.000 1.049 11 V CA 2.118 64.391 62.300 -0.046 0.000 1.024 11 V CB -1.231 30.552 31.823 -0.066 0.000 0.648 11 V HN 0.549 nan 8.190 nan 0.000 0.447 12 A N -0.187 122.596 122.820 -0.061 0.000 1.902 12 A HA -0.247 4.074 4.320 0.001 0.000 0.217 12 A C 2.440 180.000 177.584 -0.039 0.000 1.181 12 A CA 2.010 54.015 52.037 -0.053 0.000 0.623 12 A CB -0.588 18.375 19.000 -0.062 0.000 0.818 12 A HN 0.452 nan 8.150 nan 0.000 0.443 13 R N -0.507 119.972 120.500 -0.035 0.000 2.083 13 R HA -0.154 4.187 4.340 0.001 0.000 0.237 13 R C 1.852 178.139 176.300 -0.021 0.000 1.137 13 R CA 1.707 57.791 56.100 -0.026 0.000 0.951 13 R CB -0.213 30.073 30.300 -0.023 0.000 0.851 13 R HN 0.459 nan 8.270 nan 0.000 0.434 14 E N 0.246 120.434 120.200 -0.020 0.000 2.150 14 E HA -0.126 4.225 4.350 0.001 0.000 0.193 14 E C 1.597 178.188 176.600 -0.015 0.000 0.985 14 E CA 0.972 57.364 56.400 -0.014 0.000 0.814 14 E CB -0.351 29.345 29.700 -0.007 0.000 0.752 14 E HN 0.519 nan 8.360 nan 0.000 0.466 15 N N 0.744 119.432 118.700 -0.021 0.000 2.171 15 N HA -0.120 4.621 4.740 0.001 0.000 0.184 15 N C 1.227 176.723 175.510 -0.024 0.000 1.021 15 N CA 0.878 53.914 53.050 -0.024 0.000 0.854 15 N CB 0.074 38.543 38.487 -0.031 0.000 0.994 15 N HN 0.061 nan 8.380 nan 0.000 0.426 16 D N 0.785 121.170 120.400 -0.025 0.000 2.144 16 D HA -0.153 4.488 4.640 0.001 0.000 0.199 16 D C 1.801 178.090 176.300 -0.018 0.000 0.984 16 D CA 0.740 54.726 54.000 -0.023 0.000 0.834 16 D CB -0.191 40.595 40.800 -0.023 0.000 0.955 16 D HN 0.226 nan 8.370 nan 0.000 0.465 17 R N 0.738 121.229 120.500 -0.016 0.000 2.120 17 R HA -0.028 4.313 4.340 0.001 0.000 0.234 17 R C 1.334 177.628 176.300 -0.011 0.000 1.123 17 R CA 0.934 57.026 56.100 -0.013 0.000 0.975 17 R CB 0.185 30.479 30.300 -0.011 0.000 0.866 17 R HN 0.100 nan 8.270 nan 0.000 0.446 18 R N -0.989 119.503 120.500 -0.012 0.000 2.432 18 R HA 0.235 4.576 4.340 0.001 0.000 0.260 18 R C 1.661 177.953 176.300 -0.013 0.000 0.935 18 R CA 0.324 56.418 56.100 -0.010 0.000 1.080 18 R CB 0.670 30.965 30.300 -0.009 0.000 1.155 18 R HN 0.113 nan 8.270 nan 0.000 0.531 19 A N 0.953 123.763 122.820 -0.018 0.000 1.877 19 A HA -0.210 4.111 4.320 0.001 0.000 0.216 19 A C 2.161 179.734 177.584 -0.017 0.000 1.186 19 A CA 2.021 54.044 52.037 -0.023 0.000 0.620 19 A CB -0.545 18.439 19.000 -0.027 0.000 0.822 19 A HN 0.277 nan 8.150 nan 0.000 0.443 20 S N -0.416 115.277 115.700 -0.012 0.000 2.359 20 S HA -0.091 4.380 4.470 0.001 0.000 0.224 20 S C 2.195 176.795 174.600 -0.001 0.000 1.035 20 S CA 1.790 59.985 58.200 -0.007 0.000 1.018 20 S CB -0.522 62.674 63.200 -0.007 0.000 0.876 20 S HN 0.858 nan 8.310 nan 0.000 0.448 21 A N 1.260 124.079 122.820 -0.001 0.000 1.902 21 A HA 0.020 4.341 4.320 0.001 0.000 0.217 21 A C 2.164 179.755 177.584 0.013 0.000 1.181 21 A CA 1.630 53.669 52.037 0.004 0.000 0.623 21 A CB -0.894 18.106 19.000 0.000 0.000 0.818 21 A HN 0.583 nan 8.150 nan 0.000 0.443 22 L N 0.080 121.309 121.223 0.010 0.000 2.046 22 L HA -0.145 4.196 4.340 0.001 0.000 0.208 22 L C 2.242 179.140 176.870 0.047 0.000 1.077 22 L CA 2.655 57.509 54.840 0.023 0.000 0.747 22 L CB -0.625 41.430 42.059 -0.007 0.000 0.896 22 L HN 0.454 nan 8.230 nan 0.000 0.432 23 K N -0.787 119.625 120.400 0.020 0.000 2.009 23 K HA -0.205 4.116 4.320 0.001 0.000 0.210 23 K C 1.974 178.614 176.600 0.067 0.000 1.049 23 K CA 1.701 58.008 56.287 0.033 0.000 0.929 23 K CB -0.091 32.413 32.500 0.007 0.000 0.714 23 K HN 0.348 nan 8.250 nan 0.000 0.440 24 E N 1.167 121.391 120.200 0.040 0.000 2.058 24 E HA -0.196 4.155 4.350 0.001 0.000 0.194 24 E C 1.837 178.460 176.600 0.038 0.000 0.997 24 E CA 1.288 57.707 56.400 0.032 0.000 0.801 24 E CB -0.344 29.365 29.700 0.014 0.000 0.746 24 E HN 0.424 nan 8.360 nan 0.000 0.450 25 D N -0.222 120.204 120.400 0.044 0.000 2.117 25 D HA -0.143 4.498 4.640 0.001 0.000 0.198 25 D C 1.964 178.294 176.300 0.051 0.000 0.982 25 D CA 0.757 54.777 54.000 0.033 0.000 0.828 25 D CB -0.463 40.353 40.800 0.027 0.000 0.967 25 D HN 0.219 nan 8.370 nan 0.000 0.464 26 Y N 1.943 122.227 120.300 -0.027 0.000 2.181 26 Y HA -0.161 4.390 4.550 0.002 0.000 0.288 26 Y C 2.120 178.005 175.900 -0.026 0.000 1.146 26 Y CA 1.644 59.727 58.100 -0.028 0.000 1.164 26 Y CB 0.111 38.557 38.460 -0.023 0.000 0.982 26 Y HN -0.037 nan 8.280 nan 0.000 0.515 27 E N -0.237 120.060 120.200 0.162 0.000 2.150 27 E HA -0.157 4.194 4.350 0.001 0.000 0.193 27 E C 2.299 178.887 176.600 -0.018 0.000 0.985 27 E CA 0.742 57.187 56.400 0.076 0.000 0.814 27 E CB -0.238 29.515 29.700 0.088 0.000 0.752 27 E HN 0.572 nan 8.360 nan 0.000 0.466 28 A N 1.418 124.225 122.820 -0.022 0.000 1.898 28 A HA -0.134 4.187 4.320 0.001 0.000 0.216 28 A C 2.170 179.704 177.584 -0.083 0.000 1.181 28 A CA 0.860 52.871 52.037 -0.043 0.000 0.620 28 A CB -0.434 18.547 19.000 -0.032 0.000 0.819 28 A HN 0.218 nan 8.150 nan 0.000 0.442 29 L N 0.222 121.370 121.223 -0.124 0.000 2.093 29 L HA 0.025 4.365 4.340 0.001 0.000 0.208 29 L C 2.321 179.066 176.870 -0.210 0.000 1.085 29 L CA 2.201 56.937 54.840 -0.173 0.000 0.755 29 L CB -1.055 40.872 42.059 -0.220 0.000 0.904 29 L HN 0.286 nan 8.230 nan 0.000 0.435 30 G N -0.965 107.677 108.800 -0.264 0.000 2.418 30 G HA2 -0.253 3.708 3.960 0.001 0.000 0.217 30 G HA3 -0.253 3.708 3.960 0.001 0.000 0.217 30 G C 1.586 176.413 174.900 -0.122 0.000 1.158 30 G CA 0.794 45.756 45.100 -0.231 0.000 0.771 30 G HN 0.624 nan 8.290 nan 0.000 0.545 31 A N 1.025 123.792 122.820 -0.088 0.000 1.898 31 A HA -0.091 4.230 4.320 0.001 0.000 0.216 31 A C 2.211 179.758 177.584 -0.061 0.000 1.181 31 A CA 1.828 53.830 52.037 -0.058 0.000 0.620 31 A CB -0.568 18.407 19.000 -0.042 0.000 0.819 31 A HN 0.444 nan 8.150 nan 0.000 0.442 32 N N 0.391 119.047 118.700 -0.073 0.000 2.120 32 N HA -0.114 4.627 4.740 0.001 0.000 0.188 32 N C 1.743 177.211 175.510 -0.070 0.000 1.024 32 N CA 1.542 54.552 53.050 -0.068 0.000 0.852 32 N CB -0.243 38.198 38.487 -0.076 0.000 1.003 32 N HN 0.503 nan 8.380 nan 0.000 0.424 33 L N 0.735 121.904 121.223 -0.089 0.000 2.093 33 L HA -0.071 4.270 4.340 0.001 0.000 0.208 33 L C 2.724 179.556 176.870 -0.063 0.000 1.085 33 L CA 1.072 55.862 54.840 -0.083 0.000 0.755 33 L CB -0.517 41.476 42.059 -0.111 0.000 0.904 33 L HN 0.169 nan 8.230 nan 0.000 0.435 34 A N 0.181 122.965 122.820 -0.060 0.000 1.902 34 A HA -0.208 4.113 4.320 0.001 0.000 0.217 34 A C 2.352 179.916 177.584 -0.034 0.000 1.181 34 A CA 1.413 53.424 52.037 -0.043 0.000 0.623 34 A CB -0.475 18.502 19.000 -0.038 0.000 0.818 34 A HN 0.320 nan 8.150 nan 0.000 0.443 35 R N -0.887 119.592 120.500 -0.035 0.000 2.193 35 R HA -0.037 4.304 4.340 0.001 0.000 0.229 35 R C 1.700 177.985 176.300 -0.025 0.000 1.110 35 R CA 1.234 57.317 56.100 -0.028 0.000 0.988 35 R CB -0.152 30.131 30.300 -0.029 0.000 0.871 35 R HN 0.456 nan 8.270 nan 0.000 0.458 36 R N -0.710 119.771 120.500 -0.030 0.000 2.317 36 R HA 0.110 4.450 4.340 0.001 0.000 0.208 36 R C 0.771 177.057 176.300 -0.022 0.000 0.914 36 R CA 0.493 56.578 56.100 -0.024 0.000 1.060 36 R CB 0.830 31.112 30.300 -0.030 0.000 1.015 36 R HN 0.307 nan 8.270 nan 0.000 0.498 37 G N 0.601 109.387 108.800 -0.024 0.000 2.136 37 G HA2 -0.234 3.727 3.960 0.001 0.000 0.242 37 G HA3 -0.234 3.727 3.960 0.001 0.000 0.242 37 G C -0.088 174.797 174.900 -0.026 0.000 0.989 37 G CA -0.005 45.082 45.100 -0.022 0.000 0.682 37 G HN 0.140 nan 8.290 nan 0.000 0.522 38 V N 0.614 120.507 119.914 -0.034 0.000 2.513 38 V HA 0.547 4.667 4.120 0.001 0.000 0.299 38 V C -0.266 175.801 176.094 -0.046 0.000 1.035 38 V CA -0.911 61.364 62.300 -0.041 0.000 0.889 38 V CB 1.982 33.775 31.823 -0.051 0.000 0.988 38 V HN 0.299 nan 8.190 nan 0.000 0.440 39 D N 3.541 123.919 120.400 -0.038 0.000 2.380 39 D HA 0.187 4.828 4.640 0.001 0.000 0.230 39 D C 0.982 177.257 176.300 -0.042 0.000 1.154 39 D CA -0.146 53.835 54.000 -0.032 0.000 0.859 39 D CB 1.293 42.084 40.800 -0.014 0.000 1.045 39 D HN 0.563 nan 8.370 nan 0.000 0.495 40 I N 3.235 123.763 120.570 -0.069 0.000 2.335 40 I HA -0.275 3.896 4.170 0.001 0.000 0.251 40 I C 1.796 177.905 176.117 -0.012 0.000 1.129 40 I CA 1.312 62.550 61.300 -0.104 0.000 1.402 40 I CB 0.311 38.158 38.000 -0.256 0.000 1.069 40 I HN 0.360 nan 8.210 nan 0.000 0.424 41 E N 1.309 121.531 120.200 0.036 0.000 2.110 41 E HA -0.195 4.156 4.350 0.001 0.000 0.193 41 E C 1.986 178.615 176.600 0.049 0.000 0.988 41 E CA 1.647 58.096 56.400 0.082 0.000 0.804 41 E CB -0.265 29.478 29.700 0.072 0.000 0.745 41 E HN 0.554 nan 8.360 nan 0.000 0.458 42 A N -0.053 122.779 122.820 0.020 0.000 1.930 42 A HA -0.092 4.229 4.320 0.001 0.000 0.217 42 A C 2.442 180.028 177.584 0.004 0.000 1.175 42 A CA 1.497 53.541 52.037 0.012 0.000 0.627 42 A CB -0.560 18.440 19.000 -0.000 0.000 0.815 42 A HN 0.197 nan 8.150 nan 0.000 0.443 43 V N -0.397 119.508 119.914 -0.015 0.000 2.323 43 V HA -0.194 3.927 4.120 0.001 0.000 0.244 43 V C 2.722 178.814 176.094 -0.002 0.000 1.041 43 V CA 2.395 64.670 62.300 -0.041 0.000 1.025 43 V CB -1.306 30.470 31.823 -0.078 0.000 0.656 43 V HN 0.581 nan 8.190 nan 0.000 0.451 44 T N 0.746 115.324 114.554 0.040 0.000 2.720 44 T HA -0.191 4.160 4.350 0.001 0.000 0.268 44 T C 2.055 176.794 174.700 0.066 0.000 1.037 44 T CA 1.647 63.795 62.100 0.081 0.000 1.144 44 T CB -0.478 68.487 68.868 0.160 0.000 0.864 44 T HN 0.560 nan 8.240 nan 0.000 0.444 45 A N 1.615 124.469 122.820 0.057 0.000 1.972 45 A HA -0.129 4.191 4.320 0.001 0.000 0.219 45 A C 2.268 179.885 177.584 0.055 0.000 1.169 45 A CA 1.418 53.485 52.037 0.050 0.000 0.635 45 A CB -0.336 18.690 19.000 0.044 0.000 0.810 45 A HN 0.466 nan 8.150 nan 0.000 0.446 46 K N -0.715 119.725 120.400 0.068 0.000 2.137 46 K HA 0.062 4.383 4.320 0.001 0.000 0.202 46 K C 1.846 178.561 176.600 0.192 0.000 1.052 46 K CA 0.975 57.335 56.287 0.121 0.000 0.961 46 K CB -0.231 32.347 32.500 0.130 0.000 0.741 46 K HN 0.282 nan 8.250 nan 0.000 0.452 47 V N 3.089 123.100 119.914 0.161 0.000 2.332 47 V HA -0.257 3.864 4.120 0.001 0.000 0.248 47 V C 2.286 178.432 176.094 0.087 0.000 1.055 47 V CA 2.191 64.600 62.300 0.181 0.000 1.038 47 V CB -0.675 31.199 31.823 0.086 0.000 0.651 47 V HN 0.483 nan 8.190 nan 0.000 0.450 48 E N 0.441 120.671 120.200 0.050 0.000 2.472 48 E HA -0.206 4.145 4.350 0.001 0.000 0.200 48 E C 1.561 178.122 176.600 -0.065 0.000 1.046 48 E CA 1.029 57.447 56.400 0.030 0.000 0.871 48 E CB -0.187 29.545 29.700 0.052 0.000 0.806 48 E HN 0.547 nan 8.360 nan 0.000 0.533 49 K N 0.158 120.443 120.400 -0.192 0.000 2.414 49 K HA 0.152 4.473 4.320 0.001 0.000 0.204 49 K C -0.679 175.297 176.600 -1.040 0.000 1.026 49 K CA -0.448 55.504 56.287 -0.559 0.000 1.108 49 K CB 0.341 32.712 32.500 -0.216 0.000 0.855 49 K HN 0.043 nan 8.250 nan 0.000 0.517 50 F N 1.524 120.986 119.950 -0.813 0.000 2.411 50 F HA 0.336 4.864 4.527 0.001 0.000 0.355 50 F C -0.711 174.688 175.800 -0.668 0.000 1.117 50 F CA -0.899 56.653 58.000 -0.747 0.000 1.139 50 F CB 0.335 38.915 39.000 -0.699 0.000 1.120 50 F HN -0.212 nan 8.300 nan 0.000 0.493 51 F N 5.156 124.638 119.950 -0.780 0.000 2.561 51 F HA 0.700 5.227 4.527 0.001 0.000 0.321 51 F C -0.557 174.912 175.800 -0.551 0.000 1.065 51 F CA -1.456 56.260 58.000 -0.473 0.000 0.934 51 F CB 1.587 40.420 39.000 -0.278 0.000 1.215 51 F HN 0.227 nan 8.300 nan 0.000 0.471 52 V N 1.767 121.667 119.914 -0.023 0.000 2.686 52 V HA 0.848 4.969 4.120 0.001 0.000 0.306 52 V C -0.641 175.477 176.094 0.040 0.000 1.065 52 V CA -0.814 61.510 62.300 0.040 0.000 0.894 52 V CB 1.542 33.442 31.823 0.129 0.000 1.004 52 V HN 1.063 nan 8.190 nan 0.000 0.424 53 A N 5.479 128.324 122.820 0.042 0.000 2.407 53 A HA 0.654 4.975 4.320 0.001 0.000 0.248 53 A C -0.323 177.233 177.584 -0.046 0.000 1.082 53 A CA -0.101 51.928 52.037 -0.013 0.000 0.785 53 A CB 0.769 19.769 19.000 0.000 0.000 1.020 53 A HN 1.077 nan 8.150 nan 0.000 0.489 54 V N 4.369 124.227 119.914 -0.093 0.000 2.483 54 V HA 0.435 4.556 4.120 0.001 0.000 0.295 54 V C -2.079 173.868 176.094 -0.245 0.000 1.035 54 V CA -1.486 60.727 62.300 -0.145 0.000 0.896 54 V CB 1.912 33.662 31.823 -0.122 0.000 0.986 54 V HN 0.873 nan 8.190 nan 0.000 0.447 55 P HA 0.155 nan 4.420 nan 0.000 0.287 55 P C 0.693 177.634 177.300 -0.598 0.000 1.281 55 P CA -0.165 62.363 63.100 -0.954 0.000 0.781 55 P CB 1.481 32.124 31.700 -1.762 0.000 0.903 56 S N 2.921 118.483 115.700 -0.229 0.000 2.400 56 S HA -0.182 4.289 4.470 0.001 0.000 0.232 56 S C 1.498 176.188 174.600 0.151 0.000 1.025 56 S CA 0.762 59.007 58.200 0.074 0.000 0.993 56 S CB -1.402 61.969 63.200 0.285 0.000 0.808 56 S HN 0.702 nan 8.310 nan 0.000 0.478 57 W N 1.626 123.059 121.300 0.221 0.000 2.937 57 W HA 0.553 5.214 4.660 0.001 0.000 0.245 57 W C 1.697 178.283 176.519 0.111 0.000 1.306 57 W CA -0.224 57.218 57.345 0.162 0.000 1.470 57 W CB -0.669 28.965 29.460 0.290 0.000 1.132 57 W HN 0.200 nan 8.180 nan 0.000 0.675 58 G N 0.847 109.531 108.800 -0.192 0.000 2.880 58 G HA2 -0.088 3.873 3.960 0.001 0.000 0.209 58 G HA3 -0.088 3.873 3.960 0.001 0.000 0.209 58 G C 1.138 176.112 174.900 0.124 0.000 1.157 58 G CA 0.643 45.730 45.100 -0.023 0.000 0.779 58 G HN 0.285 nan 8.290 nan 0.000 0.539 59 V N 0.746 120.690 119.914 0.049 0.000 3.306 59 V HA 0.384 4.505 4.120 0.001 0.000 0.264 59 V C 1.359 177.501 176.094 0.080 0.000 1.149 59 V CA 0.961 63.287 62.300 0.043 0.000 1.143 59 V CB -0.361 31.481 31.823 0.031 0.000 0.767 59 V HN 0.230 nan 8.190 nan 0.000 0.476 60 G N -0.315 108.545 108.800 0.100 0.000 2.410 60 G HA2 0.448 4.409 3.960 0.001 0.000 0.330 60 G HA3 0.448 4.409 3.960 0.001 0.000 0.330 60 G C -0.341 174.626 174.900 0.112 0.000 1.142 60 G CA -0.243 44.908 45.100 0.086 0.000 0.902 60 G HN 0.217 nan 8.290 nan 0.000 0.491 61 T N 0.743 115.357 114.554 0.100 0.000 2.888 61 T HA 0.435 4.786 4.350 0.001 0.000 0.301 61 T C 1.004 175.759 174.700 0.091 0.000 1.001 61 T CA 0.584 62.756 62.100 0.120 0.000 1.147 61 T CB 1.048 69.986 68.868 0.116 0.000 0.931 61 T HN 0.709 nan 8.240 nan 0.000 0.541 62 G N 1.008 109.869 108.800 0.102 0.000 2.535 62 G HA2 0.730 4.690 3.960 0.001 0.000 0.303 62 G HA3 0.730 4.690 3.960 0.001 0.000 0.303 62 G C -0.065 174.875 174.900 0.067 0.000 1.237 62 G CA -0.376 44.762 45.100 0.063 0.000 0.986 62 G HN 0.978 nan 8.290 nan 0.000 0.494 63 G N -1.910 106.917 108.800 0.044 0.000 2.721 63 G HA2 0.715 4.676 3.960 0.001 0.000 0.296 63 G HA3 0.715 4.676 3.960 0.001 0.000 0.296 63 G C -0.442 174.488 174.900 0.050 0.000 1.383 63 G CA 0.368 45.494 45.100 0.044 0.000 0.788 63 G HN 1.134 nan 8.290 nan 0.000 0.500 64 T N -3.008 111.583 114.554 0.061 0.000 2.841 64 T HA 0.448 4.798 4.350 0.001 0.000 0.276 64 T C 1.425 176.125 174.700 -0.001 0.000 1.003 64 T CA -0.177 61.967 62.100 0.074 0.000 0.995 64 T CB 1.694 70.675 68.868 0.188 0.000 1.260 64 T HN 0.787 nan 8.240 nan 0.000 0.581 65 R N -0.589 119.854 120.500 -0.095 0.000 2.237 65 R HA 0.091 4.431 4.340 0.001 0.000 0.219 65 R C 1.199 177.306 176.300 -0.322 0.000 1.080 65 R CA 1.119 57.078 56.100 -0.235 0.000 0.995 65 R CB -0.724 29.368 30.300 -0.345 0.000 0.875 65 R HN 0.498 nan 8.270 nan 0.000 0.462 66 F N 0.979 120.932 119.950 0.005 0.000 2.387 66 F HA 0.363 4.891 4.527 0.001 0.000 0.294 66 F C 1.108 176.870 175.800 -0.065 0.000 1.093 66 F CA 0.628 58.625 58.000 -0.006 0.000 1.420 66 F CB 0.318 39.334 39.000 0.027 0.000 1.086 66 F HN 0.226 nan 8.300 nan 0.000 0.531 67 A N -0.421 122.418 122.820 0.032 0.000 2.522 67 A HA 0.604 4.925 4.320 0.001 0.000 0.294 67 A C -1.213 176.157 177.584 -0.357 0.000 1.001 67 A CA -0.887 51.002 52.037 -0.246 0.000 0.642 67 A CB 0.868 19.586 19.000 -0.470 0.000 1.326 67 A HN 0.062 nan 8.150 nan 0.000 0.435 68 R N 0.361 120.566 120.500 -0.492 0.000 2.513 68 R HA 0.711 5.052 4.340 0.001 0.000 0.301 68 R C -2.076 173.950 176.300 -0.457 0.000 0.968 68 R CA -0.498 55.409 56.100 -0.322 0.000 0.872 68 R CB 0.826 31.043 30.300 -0.138 0.000 1.177 68 R HN 0.576 nan 8.270 nan 0.000 0.444 69 F N 5.833 125.814 119.950 0.052 0.000 2.366 69 F HA 0.347 4.875 4.527 0.001 0.000 0.357 69 F C -1.616 174.212 175.800 0.047 0.000 1.107 69 F CA -2.070 55.958 58.000 0.048 0.000 1.208 69 F CB 1.011 40.041 39.000 0.049 0.000 1.464 69 F HN 0.321 nan 8.300 nan 0.000 0.501 70 P HA 0.186 nan 4.420 nan 0.000 0.269 70 P C 0.340 177.712 177.300 0.121 0.000 1.215 70 P CA 0.058 63.228 63.100 0.115 0.000 0.780 70 P CB 1.376 33.118 31.700 0.069 0.000 0.898 71 G N 0.904 109.766 108.800 0.104 0.000 2.583 71 G HA2 0.537 4.498 3.960 0.001 0.000 0.280 71 G HA3 0.537 4.498 3.960 0.001 0.000 0.280 71 G C -0.281 174.663 174.900 0.074 0.000 1.376 71 G CA -0.403 44.752 45.100 0.092 0.000 1.043 71 G HN 0.670 nan 8.290 nan 0.000 0.538 72 T N -3.506 111.087 114.554 0.065 0.000 2.899 72 T HA 0.455 4.806 4.350 0.001 0.000 0.284 72 T C 1.209 175.939 174.700 0.049 0.000 1.004 72 T CA 0.701 62.830 62.100 0.049 0.000 1.043 72 T CB 1.076 69.965 68.868 0.035 0.000 1.013 72 T HN 2.163 nan 8.240 nan 0.000 0.518 73 G N 1.280 110.099 108.800 0.033 0.000 2.305 73 G HA2 -0.197 3.764 3.960 0.001 0.000 0.287 73 G HA3 -0.197 3.764 3.960 0.001 0.000 0.287 73 G C -0.059 174.872 174.900 0.052 0.000 1.036 73 G CA -0.134 44.982 45.100 0.027 0.000 0.887 73 G HN 0.883 nan 8.290 nan 0.000 0.505 74 E N 0.893 121.126 120.200 0.054 0.000 2.384 74 E HA 0.169 4.519 4.350 0.001 0.000 0.266 74 E C -1.629 175.007 176.600 0.060 0.000 1.012 74 E CA -1.372 55.064 56.400 0.060 0.000 0.901 74 E CB 0.678 30.407 29.700 0.049 0.000 0.967 74 E HN 0.362 nan 8.360 nan 0.000 0.435 75 P HA 0.052 nan 4.420 nan 0.000 0.264 75 P C 0.011 177.350 177.300 0.066 0.000 1.193 75 P CA 0.094 63.242 63.100 0.080 0.000 0.763 75 P CB 0.663 32.419 31.700 0.092 0.000 0.810 76 R N 1.854 122.399 120.500 0.075 0.000 2.161 76 R HA 0.262 4.603 4.340 0.001 0.000 0.213 76 R C 1.432 177.781 176.300 0.081 0.000 1.055 76 R CA 1.096 57.237 56.100 0.070 0.000 0.996 76 R CB -0.040 30.304 30.300 0.073 0.000 0.901 76 R HN 0.678 nan 8.270 nan 0.000 0.456 77 G N -1.041 107.821 108.800 0.104 0.000 2.634 77 G HA2 0.182 4.143 3.960 0.001 0.000 0.309 77 G HA3 0.182 4.143 3.960 0.001 0.000 0.309 77 G C -0.308 174.643 174.900 0.085 0.000 1.299 77 G CA -0.667 44.497 45.100 0.105 0.000 0.798 77 G HN -0.012 nan 8.290 nan 0.000 0.490 78 I N -0.439 120.137 120.570 0.009 0.000 2.361 78 I HA 0.061 4.232 4.170 0.001 0.000 0.251 78 I C 2.161 178.190 176.117 -0.148 0.000 1.133 78 I CA 1.399 62.644 61.300 -0.093 0.000 1.413 78 I CB -0.434 37.427 38.000 -0.231 0.000 1.073 78 I HN 0.379 nan 8.210 nan 0.000 0.424 79 F N 0.718 120.736 119.950 0.115 0.000 2.186 79 F HA -0.141 4.387 4.527 0.001 0.000 0.299 79 F C 2.289 178.148 175.800 0.100 0.000 1.090 79 F CA 1.415 59.478 58.000 0.104 0.000 1.307 79 F CB -0.902 38.148 39.000 0.084 0.000 1.019 79 F HN 0.102 nan 8.300 nan 0.000 0.489 80 D N 0.215 120.759 120.400 0.241 0.000 2.144 80 D HA -0.113 4.528 4.640 0.001 0.000 0.200 80 D C 2.107 178.499 176.300 0.153 0.000 0.978 80 D CA 1.066 55.173 54.000 0.179 0.000 0.833 80 D CB -0.253 40.632 40.800 0.143 0.000 0.961 80 D HN 0.219 nan 8.370 nan 0.000 0.470 81 K N 0.178 120.652 120.400 0.124 0.000 2.057 81 K HA -0.048 4.273 4.320 0.001 0.000 0.207 81 K C 2.259 178.914 176.600 0.092 0.000 1.049 81 K CA 0.598 56.947 56.287 0.103 0.000 0.931 81 K CB -0.110 32.450 32.500 0.099 0.000 0.714 81 K HN 0.157 nan 8.250 nan 0.000 0.440 82 L N 1.062 122.345 121.223 0.099 0.000 2.046 82 L HA -0.210 4.131 4.340 0.001 0.000 0.208 82 L C 1.857 178.777 176.870 0.084 0.000 1.077 82 L CA 1.041 55.932 54.840 0.086 0.000 0.747 82 L CB -0.476 41.657 42.059 0.124 0.000 0.896 82 L HN 0.164 nan 8.230 nan 0.000 0.432 83 D N 0.161 120.641 120.400 0.133 0.000 2.123 83 D HA -0.188 4.452 4.640 0.001 0.000 0.196 83 D C 1.773 178.158 176.300 0.142 0.000 0.992 83 D CA 1.288 55.378 54.000 0.150 0.000 0.833 83 D CB -0.174 40.745 40.800 0.198 0.000 0.954 83 D HN 0.299 nan 8.370 nan 0.000 0.455 84 D N -0.578 119.909 120.400 0.145 0.000 2.149 84 D HA -0.057 4.583 4.640 0.001 0.000 0.201 84 D C 2.109 178.398 176.300 -0.019 0.000 0.972 84 D CA 0.352 54.412 54.000 0.101 0.000 0.835 84 D CB -0.473 40.410 40.800 0.139 0.000 0.966 84 D HN 0.216 nan 8.370 nan 0.000 0.476 85 C N 1.038 120.330 119.300 -0.012 0.000 2.422 85 C HA 0.017 4.478 4.460 0.001 0.000 0.279 85 C C 2.817 177.760 174.990 -0.078 0.000 1.305 85 C CA 0.652 59.635 59.018 -0.059 0.000 1.757 85 C CB -0.934 26.774 27.740 -0.054 0.000 1.962 85 C HN 0.350 nan 8.230 nan 0.000 0.499 86 A N 0.078 122.865 122.820 -0.056 0.000 2.015 86 A HA -0.059 4.262 4.320 0.001 0.000 0.219 86 A C 2.234 179.772 177.584 -0.076 0.000 1.163 86 A CA 1.751 53.751 52.037 -0.061 0.000 0.646 86 A CB -0.498 18.485 19.000 -0.028 0.000 0.806 86 A HN 0.381 nan 8.150 nan 0.000 0.448 87 V N 0.248 120.086 119.914 -0.125 0.000 2.307 87 V HA -0.253 3.868 4.120 0.001 0.000 0.245 87 V C 2.399 178.407 176.094 -0.144 0.000 1.045 87 V CA 1.987 64.174 62.300 -0.188 0.000 1.024 87 V CB -0.649 30.932 31.823 -0.404 0.000 0.651 87 V HN 0.592 nan 8.190 nan 0.000 0.449 88 I N 0.065 120.543 120.570 -0.154 0.000 2.208 88 I HA -0.297 3.874 4.170 0.001 0.000 0.245 88 I C 2.640 178.703 176.117 -0.090 0.000 1.097 88 I CA 1.872 63.090 61.300 -0.138 0.000 1.363 88 I CB -0.426 37.490 38.000 -0.139 0.000 1.051 88 I HN 0.361 nan 8.210 nan 0.000 0.413 89 Q N 1.210 120.960 119.800 -0.084 0.000 2.079 89 Q HA -0.252 4.089 4.340 0.001 0.000 0.200 89 Q C 2.145 178.123 176.000 -0.037 0.000 0.974 89 Q CA 1.772 57.534 55.803 -0.069 0.000 0.840 89 Q CB -0.414 28.264 28.738 -0.099 0.000 0.898 89 Q HN 0.480 nan 8.270 nan 0.000 0.430 90 Q N -0.556 119.229 119.800 -0.024 0.000 2.096 90 Q HA -0.142 4.199 4.340 0.001 0.000 0.204 90 Q C 1.978 177.987 176.000 0.015 0.000 0.982 90 Q CA 1.693 57.510 55.803 0.023 0.000 0.850 90 Q CB -0.071 28.704 28.738 0.062 0.000 0.901 90 Q HN 0.525 nan 8.270 nan 0.000 0.422 91 L N -0.411 120.806 121.223 -0.010 0.000 2.131 91 L HA -0.063 4.278 4.340 0.001 0.000 0.206 91 L C 2.555 179.421 176.870 -0.007 0.000 1.087 91 L CA 1.521 56.356 54.840 -0.009 0.000 0.767 91 L CB -0.356 41.691 42.059 -0.019 0.000 0.917 91 L HN 0.386 nan 8.230 nan 0.000 0.441 92 T N -5.038 109.509 114.554 -0.013 0.000 3.023 92 T HA 0.056 4.407 4.350 0.001 0.000 0.249 92 T C 1.164 175.887 174.700 0.038 0.000 1.050 92 T CA -0.342 61.761 62.100 0.005 0.000 1.088 92 T CB 0.234 69.098 68.868 -0.006 0.000 0.946 92 T HN 0.104 nan 8.240 nan 0.000 0.480 93 R N 0.358 120.879 120.500 0.034 0.000 3.946 93 R HA -0.162 4.179 4.340 0.001 0.000 0.329 93 R C 0.934 177.330 176.300 0.159 0.000 1.209 93 R CA 0.901 57.041 56.100 0.067 0.000 0.909 93 R CB -2.418 27.934 30.300 0.086 0.000 1.355 93 R HN 0.711 nan 8.270 nan 0.000 0.539 94 A N -0.231 122.669 122.820 0.133 0.000 2.431 94 A HA 0.159 4.480 4.320 0.001 0.000 0.239 94 A C 0.920 178.603 177.584 0.166 0.000 1.230 94 A CA 0.896 53.073 52.037 0.232 0.000 0.928 94 A CB 0.441 19.530 19.000 0.148 0.000 1.006 94 A HN 0.302 nan 8.150 nan 0.000 0.520 95 T N -2.590 111.977 114.554 0.021 0.000 3.585 95 T HA 0.334 4.685 4.350 0.001 0.000 0.252 95 T C -1.844 172.763 174.700 -0.155 0.000 1.382 95 T CA -0.988 61.080 62.100 -0.055 0.000 1.584 95 T CB 0.925 69.760 68.868 -0.055 0.000 0.892 95 T HN 0.107 nan 8.240 nan 0.000 0.671 96 P HA -0.002 nan 4.420 nan 0.000 0.226 96 P C -0.232 176.890 177.300 -0.298 0.000 1.153 96 P CA 0.559 63.452 63.100 -0.346 0.000 0.777 96 P CB 0.225 31.569 31.700 -0.592 0.000 0.794 97 N N -0.248 118.305 118.700 -0.245 0.000 2.314 97 N HA 0.326 5.066 4.740 0.001 0.000 0.304 97 N C -0.874 174.539 175.510 -0.161 0.000 1.073 97 N CA -0.609 52.310 53.050 -0.219 0.000 0.822 97 N CB 2.768 41.160 38.487 -0.159 0.000 1.280 97 N HN -0.240 nan 8.380 nan 0.000 0.489 98 V N 0.713 120.525 119.914 -0.169 0.000 2.513 98 V HA 0.361 4.482 4.120 0.001 0.000 0.299 98 V C 0.284 176.434 176.094 0.094 0.000 1.035 98 V CA -0.642 61.622 62.300 -0.059 0.000 0.889 98 V CB 1.810 33.600 31.823 -0.054 0.000 0.988 98 V HN 0.574 nan 8.190 nan 0.000 0.440 99 S N 4.734 120.483 115.700 0.081 0.000 2.457 99 S HA 0.652 5.123 4.470 0.001 0.000 0.289 99 S C -0.300 174.496 174.600 0.327 0.000 1.163 99 S CA -0.434 57.880 58.200 0.190 0.000 1.078 99 S CB 0.426 63.724 63.200 0.164 0.000 0.987 99 S HN 0.482 nan 8.310 nan 0.000 0.482 100 L N 3.509 124.940 121.223 0.346 0.000 2.399 100 L HA 0.500 4.841 4.340 0.001 0.000 0.265 100 L C 0.160 177.274 176.870 0.407 0.000 1.089 100 L CA -0.755 54.309 54.840 0.373 0.000 0.802 100 L CB 0.711 42.888 42.059 0.197 0.000 1.180 100 L HN 0.554 nan 8.230 nan 0.000 0.454 101 H N 2.855 122.141 119.070 0.360 0.000 2.609 101 H HA 0.459 5.015 4.556 0.001 0.000 0.344 101 H C -1.052 174.293 175.328 0.028 0.000 1.040 101 H CA -0.558 55.566 56.048 0.126 0.000 1.216 101 H CB 1.753 31.547 29.762 0.053 0.000 1.529 101 H HN 0.217 nan 8.280 nan 0.000 0.519 102 I N 6.813 127.422 120.570 0.065 0.000 2.412 102 I HA 0.195 4.366 4.170 0.001 0.000 0.296 102 I C -1.640 174.509 176.117 0.053 0.000 0.987 102 I CA -2.669 58.668 61.300 0.062 0.000 1.180 102 I CB 1.816 39.809 38.000 -0.012 0.000 1.340 102 I HN 0.460 nan 8.210 nan 0.000 0.455 103 P HA -0.023 nan 4.420 nan 0.000 0.249 103 P C 1.081 178.490 177.300 0.182 0.000 1.229 103 P CA 0.414 63.566 63.100 0.086 0.000 0.788 103 P CB 0.207 31.957 31.700 0.083 0.000 1.072 104 W N 1.788 123.148 121.300 0.100 0.000 2.321 104 W HA -0.104 4.557 4.660 0.001 0.000 0.306 104 W C 0.993 177.564 176.519 0.086 0.000 1.217 104 W CA 1.110 58.505 57.345 0.083 0.000 1.257 104 W CB -1.674 27.838 29.460 0.086 0.000 1.145 104 W HN 0.112 nan 8.180 nan 0.000 0.509 105 D N -0.298 120.303 120.400 0.334 0.000 2.342 105 D HA 0.017 4.657 4.640 0.001 0.000 0.221 105 D C 0.434 176.777 176.300 0.072 0.000 1.101 105 D CA 0.158 54.266 54.000 0.180 0.000 0.837 105 D CB -0.255 40.662 40.800 0.195 0.000 0.938 105 D HN 0.054 nan 8.370 nan 0.000 0.508 106 K N 1.142 121.597 120.400 0.093 0.000 2.484 106 K HA 0.301 4.622 4.320 0.001 0.000 0.280 106 K C -0.411 176.215 176.600 0.042 0.000 1.013 106 K CA 0.086 56.404 56.287 0.052 0.000 1.029 106 K CB 0.372 32.913 32.500 0.067 0.000 0.902 106 K HN 0.061 nan 8.250 nan 0.000 0.481 107 A N 3.448 126.284 122.820 0.026 0.000 2.544 107 A HA 0.167 4.488 4.320 0.001 0.000 0.291 107 A C -1.705 175.920 177.584 0.068 0.000 1.055 107 A CA -0.894 51.187 52.037 0.074 0.000 0.651 107 A CB 0.668 19.706 19.000 0.063 0.000 1.296 107 A HN 0.789 nan 8.150 nan 0.000 0.431 108 D N 0.839 121.310 120.400 0.118 0.000 2.451 108 D HA 0.294 4.935 4.640 0.001 0.000 0.254 108 D C -1.479 174.860 176.300 0.064 0.000 1.204 108 D CA -0.765 53.285 54.000 0.083 0.000 0.896 108 D CB 0.840 41.696 40.800 0.093 0.000 1.136 108 D HN 0.101 nan 8.370 nan 0.000 0.499 109 P HA -0.203 nan 4.420 nan 0.000 0.217 109 P C 0.851 178.151 177.300 -0.001 0.000 1.151 109 P CA 1.628 64.708 63.100 -0.034 0.000 0.849 109 P CB 0.170 31.847 31.700 -0.039 0.000 0.787 110 K N -0.326 120.093 120.400 0.032 0.000 2.057 110 K HA -0.154 4.166 4.320 0.001 0.000 0.207 110 K C 2.052 178.706 176.600 0.089 0.000 1.049 110 K CA 1.317 57.634 56.287 0.049 0.000 0.931 110 K CB -0.326 32.198 32.500 0.039 0.000 0.714 110 K HN 0.297 nan 8.250 nan 0.000 0.440 111 E N 0.841 121.117 120.200 0.127 0.000 2.106 111 E HA -0.133 4.218 4.350 0.001 0.000 0.192 111 E C 2.109 178.912 176.600 0.339 0.000 0.984 111 E CA 0.745 57.268 56.400 0.206 0.000 0.806 111 E CB -0.061 29.788 29.700 0.248 0.000 0.750 111 E HN 0.237 nan 8.360 nan 0.000 0.458 112 L N 0.930 122.302 121.223 0.248 0.000 2.017 112 L HA -0.201 4.140 4.340 0.001 0.000 0.208 112 L C 2.574 179.593 176.870 0.249 0.000 1.073 112 L CA 1.090 56.025 54.840 0.158 0.000 0.745 112 L CB -0.334 41.621 42.059 -0.172 0.000 0.894 112 L HN 0.022 nan 8.230 nan 0.000 0.432 113 K N 0.584 121.074 120.400 0.150 0.000 2.057 113 K HA -0.115 4.206 4.320 0.001 0.000 0.207 113 K C 2.004 178.747 176.600 0.238 0.000 1.049 113 K CA 1.568 58.013 56.287 0.264 0.000 0.931 113 K CB -0.355 32.225 32.500 0.134 0.000 0.714 113 K HN 0.227 nan 8.250 nan 0.000 0.440 114 A N 0.608 123.532 122.820 0.175 0.000 1.902 114 A HA -0.147 4.174 4.320 0.001 0.000 0.217 114 A C 2.186 179.854 177.584 0.141 0.000 1.181 114 A CA 1.884 53.997 52.037 0.127 0.000 0.623 114 A CB -0.584 18.472 19.000 0.093 0.000 0.818 114 A HN 0.326 nan 8.150 nan 0.000 0.443 115 R N 0.094 120.725 120.500 0.217 0.000 2.075 115 R HA -0.021 4.320 4.340 0.001 0.000 0.232 115 R C 2.144 178.544 176.300 0.165 0.000 1.126 115 R CA 1.962 58.194 56.100 0.220 0.000 0.963 115 R CB -1.403 29.132 30.300 0.393 0.000 0.858 115 R HN 0.364 nan 8.270 nan 0.000 0.435 116 G N 0.416 109.349 108.800 0.222 0.000 2.459 116 G HA2 -0.271 3.690 3.960 0.001 0.000 0.217 116 G HA3 -0.271 3.690 3.960 0.001 0.000 0.217 116 G C 1.021 175.907 174.900 -0.023 0.000 1.183 116 G CA 1.057 46.180 45.100 0.038 0.000 0.776 116 G HN 0.360 nan 8.290 nan 0.000 0.552 117 D N 1.048 121.472 120.400 0.040 0.000 2.123 117 D HA -0.073 4.567 4.640 0.001 0.000 0.196 117 D C 2.795 179.079 176.300 -0.026 0.000 0.992 117 D CA 1.289 55.288 54.000 -0.000 0.000 0.833 117 D CB -0.489 40.328 40.800 0.029 0.000 0.954 117 D HN 0.321 nan 8.370 nan 0.000 0.455 118 A N 0.374 123.191 122.820 -0.005 0.000 1.933 118 A HA -0.081 4.239 4.320 0.001 0.000 0.218 118 A C 2.270 179.812 177.584 -0.070 0.000 1.175 118 A CA 0.839 52.858 52.037 -0.030 0.000 0.628 118 A CB -0.548 18.451 19.000 -0.002 0.000 0.814 118 A HN 0.234 nan 8.150 nan 0.000 0.444 119 L N -1.529 119.660 121.223 -0.057 0.000 2.509 119 L HA 0.218 4.559 4.340 0.001 0.000 0.222 119 L C 1.511 178.309 176.870 -0.119 0.000 1.123 119 L CA 0.504 55.294 54.840 -0.083 0.000 0.856 119 L CB -0.119 41.914 42.059 -0.044 0.000 0.985 119 L HN 0.567 nan 8.230 nan 0.000 0.456 120 G N 0.987 109.714 108.800 -0.122 0.000 2.171 120 G HA2 -0.239 3.722 3.960 0.001 0.000 0.238 120 G HA3 -0.239 3.722 3.960 0.001 0.000 0.238 120 G C -0.197 174.600 174.900 -0.171 0.000 1.039 120 G CA -0.194 44.824 45.100 -0.136 0.000 0.759 120 G HN 0.200 nan 8.290 nan 0.000 0.501 121 L N -0.333 120.765 121.223 -0.209 0.000 2.342 121 L HA 0.835 5.176 4.340 0.001 0.000 0.271 121 L C 0.972 177.581 176.870 -0.434 0.000 1.008 121 L CA -0.574 54.079 54.840 -0.310 0.000 0.818 121 L CB 2.032 43.892 42.059 -0.331 0.000 1.296 121 L HN 0.237 nan 8.230 nan 0.000 0.427 122 G N 0.427 108.950 108.800 -0.462 0.000 2.820 122 G HA2 0.722 4.683 3.960 0.001 0.000 0.291 122 G HA3 0.722 4.683 3.960 0.001 0.000 0.291 122 G C -1.552 172.944 174.900 -0.674 0.000 1.323 122 G CA -0.389 44.441 45.100 -0.451 0.000 1.055 122 G HN 0.253 nan 8.290 nan 0.000 0.520 123 F N -0.550 119.372 119.950 -0.047 0.000 2.507 123 F HA 0.418 4.945 4.527 0.001 0.000 0.325 123 F C 0.274 176.043 175.800 -0.052 0.000 1.116 123 F CA -0.635 57.345 58.000 -0.033 0.000 0.930 123 F CB 2.392 41.386 39.000 -0.010 0.000 1.146 123 F HN 0.501 nan 8.300 nan 0.000 0.447 124 D N 0.971 121.444 120.400 0.122 0.000 2.446 124 D HA 0.652 5.293 4.640 0.001 0.000 0.288 124 D C -0.345 175.985 176.300 0.050 0.000 1.195 124 D CA -0.298 53.732 54.000 0.050 0.000 1.095 124 D CB 0.715 41.541 40.800 0.044 0.000 1.153 124 D HN 0.636 nan 8.370 nan 0.000 0.568 125 A N 0.518 123.373 122.820 0.058 0.000 2.540 125 A HA 0.208 4.529 4.320 0.001 0.000 0.239 125 A C 0.030 177.677 177.584 0.105 0.000 1.061 125 A CA 0.115 52.183 52.037 0.052 0.000 0.758 125 A CB -0.105 19.022 19.000 0.211 0.000 0.991 125 A HN 0.421 nan 8.150 nan 0.000 0.502 126 M N 2.209 121.846 119.600 0.061 0.000 2.241 126 M HA 0.205 4.686 4.480 0.001 0.000 0.335 126 M C 0.080 176.416 176.300 0.060 0.000 1.122 126 M CA 0.229 55.579 55.300 0.084 0.000 1.164 126 M CB 0.169 32.830 32.600 0.101 0.000 1.459 126 M HN 0.673 nan 8.290 nan 0.000 0.461 127 N N 0.871 119.538 118.700 -0.055 0.000 2.399 127 N HA 0.315 5.056 4.740 0.001 0.000 0.284 127 N C -0.932 174.339 175.510 -0.398 0.000 1.025 127 N CA -0.245 52.649 53.050 -0.261 0.000 0.885 127 N CB 1.908 40.054 38.487 -0.568 0.000 1.339 127 N HN 0.629 nan 8.380 nan 0.000 0.487 128 S N 1.471 117.062 115.700 -0.182 0.000 2.632 128 S HA 0.346 4.816 4.470 0.001 0.000 0.271 128 S C -0.032 174.576 174.600 0.013 0.000 1.260 128 S CA -0.718 57.468 58.200 -0.023 0.000 1.010 128 S CB 1.578 64.798 63.200 0.033 0.000 0.965 128 S HN 0.556 nan 8.310 nan 0.000 0.534 129 N N 0.775 119.508 118.700 0.055 0.000 2.617 129 N HA 0.259 5.000 4.740 0.001 0.000 0.263 129 N C -0.582 174.447 175.510 -0.801 0.000 1.074 129 N CA -0.395 52.318 53.050 -0.561 0.000 0.841 129 N CB 1.267 39.272 38.487 -0.804 0.000 1.221 129 N HN 0.852 nan 8.380 nan 0.000 0.529 130 T N 0.003 114.129 114.554 -0.714 0.000 3.380 130 T HA 0.213 4.564 4.350 0.001 0.000 0.289 130 T C 0.436 174.746 174.700 -0.650 0.000 1.012 130 T CA -0.480 61.080 62.100 -0.901 0.000 0.944 130 T CB -1.192 67.052 68.868 -1.040 0.000 1.172 130 T HN 0.258 nan 8.240 nan 0.000 0.502 131 F N 0.595 120.371 119.950 -0.290 0.000 2.661 131 F HA 0.660 5.188 4.527 0.001 0.000 0.306 131 F C 0.177 175.958 175.800 -0.031 0.000 1.094 131 F CA -1.108 56.770 58.000 -0.203 0.000 1.254 131 F CB -0.253 38.585 39.000 -0.271 0.000 1.040 131 F HN 0.305 nan 8.300 nan 0.000 0.562 132 S N -1.292 114.326 115.700 -0.138 0.000 2.565 132 S HA 0.471 4.942 4.470 0.001 0.000 0.269 132 S C -1.722 172.893 174.600 0.027 0.000 1.153 132 S CA -0.971 57.235 58.200 0.011 0.000 0.835 132 S CB 2.065 65.280 63.200 0.025 0.000 1.122 132 S HN 0.022 nan 8.310 nan 0.000 0.462 133 D N 1.253 121.666 120.400 0.021 0.000 2.198 133 D HA 0.684 5.325 4.640 0.001 0.000 0.245 133 D C 0.071 176.345 176.300 -0.045 0.000 1.079 133 D CA 0.000 53.971 54.000 -0.050 0.000 0.854 133 D CB 1.727 42.472 40.800 -0.092 0.000 1.148 133 D HN 0.846 nan 8.370 nan 0.000 0.456 134 A N 2.953 125.730 122.820 -0.073 0.000 2.281 134 A HA 0.679 5.000 4.320 0.001 0.000 0.329 134 A C -2.366 175.190 177.584 -0.047 0.000 1.122 134 A CA -1.372 50.642 52.037 -0.038 0.000 0.850 134 A CB 0.311 19.286 19.000 -0.042 0.000 1.207 134 A HN 0.315 nan 8.150 nan 0.000 0.495 135 P HA 0.319 nan 4.420 nan 0.000 0.266 135 P C 0.885 178.160 177.300 -0.040 0.000 1.195 135 P CA 1.729 64.814 63.100 -0.026 0.000 0.768 135 P CB 0.599 32.297 31.700 -0.004 0.000 0.838 136 G N 1.015 109.784 108.800 -0.053 0.000 2.155 136 G HA2 -0.312 3.648 3.960 0.001 0.000 0.257 136 G HA3 -0.312 3.648 3.960 0.001 0.000 0.257 136 G C 0.241 175.087 174.900 -0.090 0.000 0.983 136 G CA -0.129 44.934 45.100 -0.062 0.000 0.676 136 G HN 0.642 nan 8.290 nan 0.000 0.528 137 Q N -0.144 119.585 119.800 -0.118 0.000 2.297 137 Q HA 0.594 4.935 4.340 0.001 0.000 0.267 137 Q C 1.723 177.593 176.000 -0.217 0.000 1.006 137 Q CA 0.428 56.129 55.803 -0.171 0.000 0.896 137 Q CB 0.741 29.339 28.738 -0.232 0.000 1.186 137 Q HN 0.620 nan 8.270 nan 0.000 0.392 138 A N 5.005 127.675 122.820 -0.250 0.000 1.969 138 A HA -0.084 4.237 4.320 0.001 0.000 0.218 138 A C 0.166 177.339 177.584 -0.685 0.000 1.169 138 A CA 1.090 52.871 52.037 -0.428 0.000 0.635 138 A CB 0.035 18.772 19.000 -0.439 0.000 0.810 138 A HN 0.761 nan 8.150 nan 0.000 0.445 139 H N -1.027 117.907 119.070 -0.226 0.000 2.600 139 H HA 0.422 4.979 4.556 0.001 0.000 0.357 139 H C -0.772 174.300 175.328 -0.427 0.000 1.106 139 H CA -0.530 55.355 56.048 -0.271 0.000 1.193 139 H CB 1.586 31.187 29.762 -0.269 0.000 1.594 139 H HN 0.206 nan 8.280 nan 0.000 0.526 140 S N 1.367 116.946 115.700 -0.202 0.000 2.601 140 S HA 0.126 4.597 4.470 0.001 0.000 0.271 140 S C -0.022 174.459 174.600 -0.199 0.000 1.305 140 S CA -0.408 57.641 58.200 -0.252 0.000 1.022 140 S CB 0.280 63.417 63.200 -0.104 0.000 0.940 140 S HN 0.455 nan 8.310 nan 0.000 0.525 141 Y N 2.539 122.832 120.300 -0.013 0.000 2.532 141 Y HA 0.313 4.864 4.550 0.001 0.000 0.283 141 Y C 1.767 177.676 175.900 0.016 0.000 1.181 141 Y CA -0.500 57.614 58.100 0.023 0.000 1.256 141 Y CB -0.457 37.979 38.460 -0.040 0.000 1.112 141 Y HN 0.728 nan 8.280 nan 0.000 0.521 142 K N -0.022 120.405 120.400 0.045 0.000 2.074 142 K HA -0.214 4.107 4.320 0.001 0.000 0.209 142 K C 0.259 176.718 176.600 -0.234 0.000 1.048 142 K CA 1.880 58.053 56.287 -0.190 0.000 0.926 142 K CB -0.150 32.070 32.500 -0.468 0.000 0.713 142 K HN 0.311 nan 8.250 nan 0.000 0.444 143 Y N -0.216 120.195 120.300 0.185 0.000 2.571 143 Y HA 0.351 4.902 4.550 0.001 0.000 0.275 143 Y C 0.564 176.473 175.900 0.015 0.000 1.179 143 Y CA 0.132 58.262 58.100 0.051 0.000 1.242 143 Y CB 1.081 39.494 38.460 -0.078 0.000 1.126 143 Y HN 0.298 nan 8.280 nan 0.000 0.524 144 G N -0.690 108.284 108.800 0.290 0.000 2.355 144 G HA2 0.223 4.184 3.960 0.001 0.000 0.619 144 G HA3 0.223 4.184 3.960 0.001 0.000 0.619 144 G C -0.023 175.090 174.900 0.355 0.000 1.337 144 G CA -0.232 45.009 45.100 0.235 0.000 0.993 144 G HN 0.276 nan 8.290 nan 0.000 0.599 145 S N -1.187 114.605 115.700 0.153 0.000 4.163 145 S HA 0.343 4.814 4.470 0.001 0.000 0.164 145 S C 2.014 176.646 174.600 0.052 0.000 0.896 145 S CA 0.594 58.802 58.200 0.013 0.000 1.125 145 S CB -0.256 62.617 63.200 -0.546 0.000 1.698 145 S HN 0.891 nan 8.310 nan 0.000 0.817 146 L N 2.814 124.025 121.223 -0.019 0.000 2.265 146 L HA 0.081 4.422 4.340 0.001 0.000 0.215 146 L C 2.095 179.018 176.870 0.087 0.000 1.117 146 L CA 1.424 56.264 54.840 0.000 0.000 0.782 146 L CB -0.451 41.564 42.059 -0.073 0.000 0.914 146 L HN 0.710 nan 8.230 nan 0.000 0.441 147 S N -3.259 112.538 115.700 0.161 0.000 2.650 147 S HA 0.053 4.523 4.470 0.001 0.000 0.240 147 S C 0.656 175.353 174.600 0.161 0.000 1.007 147 S CA -0.613 57.695 58.200 0.180 0.000 0.984 147 S CB -0.285 63.047 63.200 0.220 0.000 0.910 147 S HN 0.294 nan 8.310 nan 0.000 0.509 148 H N 2.897 122.018 119.070 0.085 0.000 2.972 148 H HA 0.056 4.613 4.556 0.001 0.000 0.343 148 H C 1.655 177.017 175.328 0.057 0.000 1.054 148 H CA 1.676 57.779 56.048 0.092 0.000 1.412 148 H CB 1.485 31.315 29.762 0.113 0.000 1.385 148 H HN 0.463 nan 8.280 nan 0.000 0.600 149 T N 1.163 115.748 114.554 0.052 0.000 2.881 149 T HA -0.188 4.163 4.350 0.001 0.000 0.270 149 T C 0.959 175.769 174.700 0.184 0.000 1.068 149 T CA 0.828 62.980 62.100 0.087 0.000 1.131 149 T CB -0.111 68.746 68.868 -0.019 0.000 0.871 149 T HN 0.455 nan 8.240 nan 0.000 0.479 150 N N 1.165 120.118 118.700 0.421 0.000 2.411 150 N HA 0.517 5.258 4.740 0.001 0.000 0.259 150 N C 1.137 176.642 175.510 -0.009 0.000 1.103 150 N CA 0.370 53.501 53.050 0.135 0.000 0.954 150 N CB 0.988 39.489 38.487 0.023 0.000 1.085 150 N HN 0.239 nan 8.380 nan 0.000 0.485 151 A N 4.169 126.970 122.820 -0.031 0.000 1.892 151 A HA -0.198 4.123 4.320 0.001 0.000 0.218 151 A C 2.122 179.633 177.584 -0.121 0.000 1.188 151 A CA 2.095 54.100 52.037 -0.053 0.000 0.631 151 A CB -1.266 17.711 19.000 -0.038 0.000 0.822 151 A HN 0.786 nan 8.150 nan 0.000 0.447 152 A N -1.309 121.382 122.820 -0.215 0.000 1.978 152 A HA -0.086 4.235 4.320 0.001 0.000 0.220 152 A C 2.270 179.578 177.584 -0.461 0.000 1.170 152 A CA 2.296 54.136 52.037 -0.328 0.000 0.636 152 A CB -1.162 17.575 19.000 -0.437 0.000 0.810 152 A HN 0.466 nan 8.150 nan 0.000 0.448 153 T N -0.414 113.810 114.554 -0.549 0.000 2.857 153 T HA -0.093 4.258 4.350 0.001 0.000 0.266 153 T C 2.035 176.693 174.700 -0.070 0.000 1.048 153 T CA 1.332 63.203 62.100 -0.381 0.000 1.139 153 T CB -0.193 68.320 68.868 -0.592 0.000 0.874 153 T HN 0.530 nan 8.240 nan 0.000 0.455 154 R N 1.134 121.603 120.500 -0.052 0.000 2.075 154 R HA 0.101 4.442 4.340 0.001 0.000 0.232 154 R C 2.848 179.146 176.300 -0.004 0.000 1.126 154 R CA 1.198 57.303 56.100 0.008 0.000 0.963 154 R CB -0.492 29.812 30.300 0.008 0.000 0.858 154 R HN 0.347 nan 8.270 nan 0.000 0.435 155 A N 1.311 124.114 122.820 -0.028 0.000 1.933 155 A HA -0.246 4.074 4.320 0.001 0.000 0.218 155 A C 2.142 179.737 177.584 0.018 0.000 1.175 155 A CA 1.413 53.441 52.037 -0.016 0.000 0.628 155 A CB -0.502 18.481 19.000 -0.027 0.000 0.814 155 A HN 0.387 nan 8.150 nan 0.000 0.444 156 Q N -0.549 119.277 119.800 0.043 0.000 2.084 156 Q HA -0.114 4.227 4.340 0.001 0.000 0.202 156 Q C 2.158 178.249 176.000 0.152 0.000 0.978 156 Q CA 1.531 57.395 55.803 0.102 0.000 0.844 156 Q CB -0.327 28.490 28.738 0.132 0.000 0.898 156 Q HN 0.594 nan 8.270 nan 0.000 0.426 157 A N -0.028 122.888 122.820 0.161 0.000 1.930 157 A HA -0.100 4.221 4.320 0.001 0.000 0.217 157 A C 2.195 179.811 177.584 0.053 0.000 1.175 157 A CA 1.319 53.413 52.037 0.095 0.000 0.627 157 A CB -0.616 18.360 19.000 -0.039 0.000 0.815 157 A HN 0.301 nan 8.150 nan 0.000 0.443 158 V N 0.156 120.081 119.914 0.018 0.000 2.295 158 V HA -0.239 3.881 4.120 0.001 0.000 0.246 158 V C 2.646 178.735 176.094 -0.008 0.000 1.049 158 V CA 2.440 64.731 62.300 -0.016 0.000 1.024 158 V CB -0.639 31.165 31.823 -0.032 0.000 0.648 158 V HN 0.726 nan 8.190 nan 0.000 0.447 159 E N -0.128 120.082 120.200 0.016 0.000 2.110 159 E HA -0.263 4.088 4.350 0.001 0.000 0.193 159 E C 2.191 178.799 176.600 0.013 0.000 0.988 159 E CA 1.703 58.106 56.400 0.006 0.000 0.804 159 E CB -0.515 29.198 29.700 0.021 0.000 0.745 159 E HN 0.755 nan 8.360 nan 0.000 0.458 160 H N 0.120 119.176 119.070 -0.024 0.000 2.353 160 H HA -0.060 4.497 4.556 0.001 0.000 0.300 160 H C 1.639 176.932 175.328 -0.058 0.000 1.090 160 H CA 1.634 57.662 56.048 -0.033 0.000 1.327 160 H CB 0.035 29.784 29.762 -0.021 0.000 1.383 160 H HN 0.211 nan 8.280 nan 0.000 0.508 161 N N 0.681 119.295 118.700 -0.144 0.000 2.166 161 N HA -0.113 4.628 4.740 0.001 0.000 0.186 161 N C 2.306 177.703 175.510 -0.188 0.000 1.019 161 N CA 0.871 53.809 53.050 -0.188 0.000 0.856 161 N CB 0.005 38.446 38.487 -0.076 0.000 0.993 161 N HN 0.391 nan 8.380 nan 0.000 0.426 162 L N 1.133 122.266 121.223 -0.150 0.000 2.141 162 L HA -0.120 4.221 4.340 0.001 0.000 0.209 162 L C 2.450 179.214 176.870 -0.176 0.000 1.094 162 L CA 0.973 55.719 54.840 -0.157 0.000 0.763 162 L CB -0.354 41.633 42.059 -0.121 0.000 0.908 162 L HN 0.219 nan 8.230 nan 0.000 0.437 163 E N -0.201 119.892 120.200 -0.178 0.000 2.106 163 E HA -0.217 4.134 4.350 0.001 0.000 0.192 163 E C 2.326 178.815 176.600 -0.185 0.000 0.984 163 E CA 1.384 57.685 56.400 -0.165 0.000 0.806 163 E CB 0.038 29.651 29.700 -0.146 0.000 0.750 163 E HN 0.529 nan 8.360 nan 0.000 0.458 164 C N 0.389 119.540 119.300 -0.249 0.000 2.425 164 C HA -0.081 4.380 4.460 0.001 0.000 0.277 164 C C 2.512 177.459 174.990 -0.072 0.000 1.280 164 C CA 0.364 59.276 59.018 -0.178 0.000 1.744 164 C CB -0.807 26.804 27.740 -0.215 0.000 1.989 164 C HN 0.499 nan 8.230 nan 0.000 0.491 165 I N 0.643 121.128 120.570 -0.142 0.000 2.252 165 I HA -0.155 4.016 4.170 0.001 0.000 0.245 165 I C 2.594 178.532 176.117 -0.298 0.000 1.102 165 I CA 1.277 62.398 61.300 -0.299 0.000 1.385 165 I CB -0.528 37.169 38.000 -0.505 0.000 1.064 165 I HN 0.331 nan 8.210 nan 0.000 0.414 166 E N 0.905 120.975 120.200 -0.217 0.000 2.077 166 E HA -0.178 4.172 4.350 0.001 0.000 0.193 166 E C 2.288 178.835 176.600 -0.088 0.000 0.989 166 E CA 1.326 57.628 56.400 -0.163 0.000 0.800 166 E CB -0.243 29.378 29.700 -0.132 0.000 0.746 166 E HN 0.527 nan 8.360 nan 0.000 0.452 167 I N 0.657 121.187 120.570 -0.067 0.000 2.226 167 I HA -0.189 3.982 4.170 0.001 0.000 0.245 167 I C 2.484 178.600 176.117 -0.002 0.000 1.100 167 I CA 1.297 62.570 61.300 -0.045 0.000 1.374 167 I CB -0.571 37.395 38.000 -0.057 0.000 1.057 167 I HN 0.117 nan 8.210 nan 0.000 0.413 168 G N 0.916 109.777 108.800 0.101 0.000 2.418 168 G HA2 -0.222 3.739 3.960 0.001 0.000 0.217 168 G HA3 -0.222 3.739 3.960 0.001 0.000 0.217 168 G C 1.716 176.816 174.900 0.334 0.000 1.158 168 G CA 0.489 45.751 45.100 0.271 0.000 0.771 168 G HN 0.323 nan 8.290 nan 0.000 0.545 169 K N 0.588 121.150 120.400 0.270 0.000 2.147 169 K HA 0.033 4.354 4.320 0.001 0.000 0.205 169 K C 2.781 179.443 176.600 0.103 0.000 1.049 169 K CA 0.956 57.363 56.287 0.200 0.000 0.936 169 K CB -0.141 32.337 32.500 -0.037 0.000 0.722 169 K HN 0.297 nan 8.250 nan 0.000 0.446 170 A N 1.553 124.398 122.820 0.042 0.000 2.067 170 A HA -0.027 4.294 4.320 0.001 0.000 0.217 170 A C 1.925 179.514 177.584 0.008 0.000 1.156 170 A CA 0.743 52.787 52.037 0.012 0.000 0.683 170 A CB -0.434 18.556 19.000 -0.017 0.000 0.808 170 A HN 0.448 nan 8.150 nan 0.000 0.455 171 I N -6.044 114.520 120.570 -0.010 0.000 4.018 171 I HA 0.525 4.696 4.170 0.001 0.000 0.337 171 I C 1.074 177.259 176.117 0.112 0.000 1.327 171 I CA 0.603 61.876 61.300 -0.045 0.000 1.100 171 I CB 0.438 38.192 38.000 -0.410 0.000 1.025 171 I HN 0.282 nan 8.210 nan 0.000 0.396 172 G N 1.449 110.319 108.800 0.117 0.000 2.179 172 G HA2 -0.264 3.697 3.960 0.001 0.000 0.220 172 G HA3 -0.264 3.697 3.960 0.001 0.000 0.220 172 G C 0.335 175.278 174.900 0.072 0.000 0.990 172 G CA 0.213 45.386 45.100 0.121 0.000 0.646 172 G HN 0.536 nan 8.290 nan 0.000 0.517 173 S N -0.217 115.520 115.700 0.062 0.000 2.584 173 S HA 0.587 5.058 4.470 0.001 0.000 0.270 173 S C 0.955 175.247 174.600 -0.513 0.000 1.346 173 S CA 0.468 58.588 58.200 -0.135 0.000 1.018 173 S CB 0.731 63.877 63.200 -0.091 0.000 0.899 173 S HN 0.202 nan 8.310 nan 0.000 0.542 174 K N 1.188 121.028 120.400 -0.934 0.000 2.589 174 K HA 0.469 4.789 4.320 0.001 0.000 0.198 174 K C -0.578 175.035 176.600 -1.644 0.000 1.114 174 K CA 0.000 55.396 56.287 -1.485 0.000 1.070 174 K CB 0.720 32.839 32.500 -0.636 0.000 0.860 174 K HN 0.610 nan 8.250 nan 0.000 0.536 175 A N 0.687 122.556 122.820 -1.586 0.000 2.608 175 A HA 0.653 4.973 4.320 0.001 0.000 0.292 175 A C -2.141 175.223 177.584 -0.366 0.000 1.066 175 A CA -0.734 50.811 52.037 -0.820 0.000 0.676 175 A CB 1.246 19.882 19.000 -0.607 0.000 1.277 175 A HN 0.083 nan 8.150 nan 0.000 0.413 176 L N 0.760 121.937 121.223 -0.076 0.000 2.349 176 L HA 0.776 5.117 4.340 0.001 0.000 0.278 176 L C -0.480 176.442 176.870 0.087 0.000 0.996 176 L CA 0.272 55.171 54.840 0.098 0.000 0.825 176 L CB 1.972 44.138 42.059 0.178 0.000 1.243 176 L HN 0.651 nan 8.230 nan 0.000 0.412 177 T N 4.578 119.238 114.554 0.176 0.000 2.795 177 T HA 0.598 4.949 4.350 0.001 0.000 0.282 177 T C -0.668 174.156 174.700 0.205 0.000 0.980 177 T CA -0.292 61.976 62.100 0.280 0.000 1.012 177 T CB 1.214 70.299 68.868 0.362 0.000 0.936 177 T HN 0.372 nan 8.240 nan 0.000 0.457 178 V N 4.490 124.543 119.914 0.232 0.000 2.326 178 V HA 0.436 4.556 4.120 0.001 0.000 0.281 178 V C -0.949 175.311 176.094 0.276 0.000 1.015 178 V CA -1.004 61.418 62.300 0.203 0.000 0.823 178 V CB 0.847 32.760 31.823 0.150 0.000 1.009 178 V HN 0.905 nan 8.190 nan 0.000 0.436 179 W N 8.347 129.728 121.300 0.135 0.000 2.600 179 W HA 0.826 5.487 4.660 0.001 0.000 0.325 179 W C -0.792 175.814 176.519 0.144 0.000 1.034 179 W CA -0.968 56.446 57.345 0.115 0.000 1.226 179 W CB 1.336 30.845 29.460 0.082 0.000 1.379 179 W HN 0.597 nan 8.180 nan 0.000 0.466 180 I N 2.792 122.787 120.570 -0.958 0.000 3.002 180 I HA 0.808 4.979 4.170 0.001 0.000 0.310 180 I C 0.757 176.125 176.117 -1.249 0.000 1.087 180 I CA -1.202 59.574 61.300 -0.872 0.000 1.017 180 I CB 2.135 39.938 38.000 -0.328 0.000 1.226 180 I HN 0.640 nan 8.210 nan 0.000 0.443 181 G N 1.134 109.440 108.800 -0.824 0.000 3.042 181 G HA2 0.056 4.017 3.960 0.001 0.000 0.212 181 G HA3 0.056 4.017 3.960 0.001 0.000 0.212 181 G C -0.006 174.727 174.900 -0.278 0.000 1.166 181 G CA -0.125 44.645 45.100 -0.550 0.000 0.767 181 G HN 0.726 nan 8.290 nan 0.000 0.546 182 D N 0.918 121.186 120.400 -0.221 0.000 2.752 182 D HA 0.395 5.035 4.640 0.001 0.000 0.225 182 D C 0.931 177.181 176.300 -0.082 0.000 1.104 182 D CA 1.848 55.792 54.000 -0.094 0.000 0.832 182 D CB 0.768 41.545 40.800 -0.039 0.000 1.161 182 D HN 0.394 nan 8.370 nan 0.000 0.505 183 G N 0.062 108.851 108.800 -0.019 0.000 2.360 183 G HA2 0.507 4.468 3.960 0.001 0.000 0.276 183 G HA3 0.507 4.468 3.960 0.001 0.000 0.276 183 G C -1.359 173.590 174.900 0.081 0.000 1.256 183 G CA -0.182 44.921 45.100 0.005 0.000 0.890 183 G HN 0.752 nan 8.290 nan 0.000 0.486 184 S N -1.263 114.513 115.700 0.128 0.000 2.595 184 S HA 0.675 5.146 4.470 0.001 0.000 0.281 184 S C -0.304 174.430 174.600 0.222 0.000 1.117 184 S CA -0.745 57.588 58.200 0.221 0.000 0.873 184 S CB 2.271 65.667 63.200 0.327 0.000 1.108 184 S HN 0.427 nan 8.310 nan 0.000 0.477 185 N N -0.572 118.241 118.700 0.188 0.000 2.197 185 N HA 0.415 5.156 4.740 0.001 0.000 0.201 185 N C -1.422 173.851 175.510 -0.395 0.000 1.148 185 N CA 0.191 53.209 53.050 -0.054 0.000 0.883 185 N CB 0.103 38.476 38.487 -0.190 0.000 1.012 185 N HN 0.587 nan 8.380 nan 0.000 0.507 186 F N 0.087 120.114 119.950 0.129 0.000 2.578 186 F HA 0.467 4.995 4.527 0.001 0.000 0.311 186 F C -2.255 173.356 175.800 -0.316 0.000 1.094 186 F CA -2.465 55.472 58.000 -0.105 0.000 0.923 186 F CB 1.950 40.920 39.000 -0.050 0.000 1.230 186 F HN -0.301 nan 8.300 nan 0.000 0.450 187 P HA 0.215 nan 4.420 nan 0.000 0.268 187 P C 0.688 177.900 177.300 -0.147 0.000 1.205 187 P CA 1.200 63.965 63.100 -0.559 0.000 0.771 187 P CB 0.772 32.179 31.700 -0.488 0.000 0.858 188 G N 2.138 110.875 108.800 -0.106 0.000 2.284 188 G HA2 -0.374 3.587 3.960 0.001 0.000 0.247 188 G HA3 -0.374 3.587 3.960 0.001 0.000 0.247 188 G C 1.300 176.161 174.900 -0.064 0.000 1.012 188 G CA 0.545 45.582 45.100 -0.105 0.000 0.618 188 G HN 0.570 nan 8.290 nan 0.000 0.521 189 Q N 0.621 120.431 119.800 0.016 0.000 2.112 189 Q HA 0.038 4.379 4.340 0.001 0.000 0.206 189 Q C 0.954 176.961 176.000 0.012 0.000 0.987 189 Q CA 1.838 57.668 55.803 0.044 0.000 0.858 189 Q CB -0.102 28.743 28.738 0.178 0.000 0.905 189 Q HN 0.574 nan 8.270 nan 0.000 0.420 190 S N 0.602 116.318 115.700 0.027 0.000 2.566 190 S HA 0.293 4.763 4.470 0.001 0.000 0.298 190 S C -0.835 173.697 174.600 -0.114 0.000 1.083 190 S CA -0.916 57.289 58.200 0.008 0.000 0.978 190 S CB 1.554 64.826 63.200 0.121 0.000 1.073 190 S HN 0.322 nan 8.310 nan 0.000 0.491 191 N N 1.743 120.401 118.700 -0.070 0.000 2.437 191 N HA 0.150 4.891 4.740 0.001 0.000 0.243 191 N C 0.349 175.878 175.510 0.032 0.000 1.041 191 N CA -0.338 52.647 53.050 -0.108 0.000 0.940 191 N CB 0.043 38.505 38.487 -0.042 0.000 1.133 191 N HN 0.384 nan 8.380 nan 0.000 0.506 192 F N 2.135 122.111 119.950 0.044 0.000 2.063 192 F HA -0.212 4.316 4.527 0.001 0.000 0.298 192 F C 2.426 178.263 175.800 0.062 0.000 1.109 192 F CA 1.318 59.334 58.000 0.027 0.000 1.212 192 F CB -1.261 37.738 39.000 -0.002 0.000 0.973 192 F HN 0.421 nan 8.300 nan 0.000 0.480 193 T N -0.215 114.499 114.554 0.268 0.000 2.737 193 T HA -0.126 4.225 4.350 0.001 0.000 0.265 193 T C 2.129 176.936 174.700 0.178 0.000 1.038 193 T CA 1.255 63.485 62.100 0.217 0.000 1.144 193 T CB -0.205 68.752 68.868 0.147 0.000 0.866 193 T HN 0.171 nan 8.240 nan 0.000 0.434 194 R N 0.869 121.440 120.500 0.119 0.000 2.092 194 R HA 0.064 4.405 4.340 0.001 0.000 0.231 194 R C 2.802 179.169 176.300 0.111 0.000 1.119 194 R CA 1.164 57.315 56.100 0.084 0.000 0.970 194 R CB -0.428 29.899 30.300 0.045 0.000 0.864 194 R HN 0.349 nan 8.270 nan 0.000 0.440 195 A N 0.855 123.761 122.820 0.144 0.000 1.902 195 A HA -0.195 4.126 4.320 0.001 0.000 0.217 195 A C 1.902 179.632 177.584 0.243 0.000 1.181 195 A CA 1.088 53.222 52.037 0.162 0.000 0.623 195 A CB -0.579 18.516 19.000 0.159 0.000 0.818 195 A HN 0.326 nan 8.150 nan 0.000 0.443 196 F N 1.159 121.147 119.950 0.064 0.000 2.186 196 F HA -0.074 4.454 4.527 0.001 0.000 0.299 196 F C 2.094 177.958 175.800 0.105 0.000 1.090 196 F CA 1.652 59.682 58.000 0.050 0.000 1.307 196 F CB -0.540 38.460 39.000 0.000 0.000 1.019 196 F HN 0.406 nan 8.300 nan 0.000 0.489 197 E N -0.163 120.056 120.200 0.033 0.000 2.077 197 E HA -0.207 4.144 4.350 0.001 0.000 0.193 197 E C 2.333 178.912 176.600 -0.035 0.000 0.989 197 E CA 1.150 57.496 56.400 -0.090 0.000 0.800 197 E CB -0.205 29.476 29.700 -0.031 0.000 0.746 197 E HN 0.408 nan 8.360 nan 0.000 0.452 198 R N 0.008 120.536 120.500 0.046 0.000 2.091 198 R HA -0.185 4.156 4.340 0.001 0.000 0.238 198 R C 2.366 178.704 176.300 0.064 0.000 1.136 198 R CA 1.527 57.657 56.100 0.050 0.000 0.959 198 R CB -0.495 29.853 30.300 0.081 0.000 0.856 198 R HN 0.286 nan 8.270 nan 0.000 0.437 199 Y N 1.721 122.020 120.300 -0.002 0.000 2.145 199 Y HA -0.199 4.352 4.550 0.001 0.000 0.286 199 Y C 2.000 177.863 175.900 -0.062 0.000 1.145 199 Y CA 1.507 59.613 58.100 0.009 0.000 1.148 199 Y CB -0.320 38.210 38.460 0.117 0.000 0.981 199 Y HN -0.061 nan 8.280 nan 0.000 0.507 200 L N -0.738 120.485 121.223 -0.001 0.000 2.079 200 L HA -0.241 4.100 4.340 0.001 0.000 0.210 200 L C 2.839 179.602 176.870 -0.179 0.000 1.081 200 L CA 1.644 56.387 54.840 -0.162 0.000 0.752 200 L CB -0.835 41.035 42.059 -0.314 0.000 0.896 200 L HN 0.280 nan 8.230 nan 0.000 0.433 201 S N -0.323 115.295 115.700 -0.135 0.000 2.368 201 S HA -0.153 4.318 4.470 0.001 0.000 0.224 201 S C 2.135 176.663 174.600 -0.119 0.000 1.029 201 S CA 1.193 59.326 58.200 -0.111 0.000 0.988 201 S CB -0.060 63.096 63.200 -0.074 0.000 0.838 201 S HN 0.428 nan 8.310 nan 0.000 0.462 202 A N 1.773 124.508 122.820 -0.141 0.000 1.898 202 A HA 0.026 4.347 4.320 0.001 0.000 0.216 202 A C 2.271 179.742 177.584 -0.188 0.000 1.181 202 A CA 1.537 53.485 52.037 -0.148 0.000 0.620 202 A CB -0.566 18.345 19.000 -0.150 0.000 0.819 202 A HN 0.550 nan 8.150 nan 0.000 0.442 203 M N -0.460 118.960 119.600 -0.300 0.000 2.229 203 M HA -0.063 4.418 4.480 0.001 0.000 0.264 203 M C 2.440 178.679 176.300 -0.102 0.000 1.063 203 M CA 1.359 56.505 55.300 -0.256 0.000 1.114 203 M CB -1.323 31.037 32.600 -0.400 0.000 1.387 203 M HN 0.503 nan 8.290 nan 0.000 0.420 204 A N -0.079 122.672 122.820 -0.115 0.000 1.933 204 A HA -0.157 4.164 4.320 0.001 0.000 0.218 204 A C 2.110 179.689 177.584 -0.009 0.000 1.175 204 A CA 1.470 53.462 52.037 -0.075 0.000 0.628 204 A CB -0.564 18.368 19.000 -0.113 0.000 0.814 204 A HN 0.522 nan 8.150 nan 0.000 0.444 205 E N -0.424 119.752 120.200 -0.040 0.000 2.072 205 E HA -0.123 4.228 4.350 0.001 0.000 0.191 205 E C 1.873 178.461 176.600 -0.019 0.000 0.985 205 E CA 1.097 57.480 56.400 -0.029 0.000 0.801 205 E CB -0.225 29.446 29.700 -0.048 0.000 0.750 205 E HN 0.701 nan 8.360 nan 0.000 0.452 206 I N 0.305 120.857 120.570 -0.030 0.000 2.286 206 I HA -0.283 3.888 4.170 0.001 0.000 0.248 206 I C 2.324 178.436 176.117 -0.009 0.000 1.115 206 I CA 0.962 62.238 61.300 -0.039 0.000 1.392 206 I CB -0.250 37.719 38.000 -0.051 0.000 1.065 206 I HN 0.157 nan 8.210 nan 0.000 0.418 207 Y N 2.094 122.343 120.300 -0.084 0.000 2.207 207 Y HA -0.256 4.295 4.550 0.002 0.000 0.287 207 Y C 2.317 178.175 175.900 -0.069 0.000 1.156 207 Y CA 1.651 59.712 58.100 -0.065 0.000 1.182 207 Y CB -0.134 38.293 38.460 -0.055 0.000 0.979 207 Y HN 0.020 nan 8.280 nan 0.000 0.521 208 K N -0.942 119.525 120.400 0.112 0.000 2.362 208 K HA -0.034 4.287 4.320 0.001 0.000 0.200 208 K C 1.877 178.429 176.600 -0.080 0.000 1.046 208 K CA 0.848 57.154 56.287 0.032 0.000 0.952 208 K CB -0.279 32.237 32.500 0.028 0.000 0.753 208 K HN 0.406 nan 8.250 nan 0.000 0.466 209 G N 0.720 109.446 108.800 -0.123 0.000 3.042 209 G HA2 0.094 4.054 3.960 0.001 0.000 0.212 209 G HA3 0.094 4.054 3.960 0.001 0.000 0.212 209 G C 0.238 174.966 174.900 -0.288 0.000 1.166 209 G CA -0.308 44.681 45.100 -0.185 0.000 0.767 209 G HN 0.024 nan 8.290 nan 0.000 0.546 210 L N 1.477 122.519 121.223 -0.301 0.000 2.331 210 L HA 0.291 4.632 4.340 0.001 0.000 0.278 210 L C -1.971 174.706 176.870 -0.323 0.000 1.106 210 L CA -1.791 52.833 54.840 -0.360 0.000 0.824 210 L CB 1.303 43.146 42.059 -0.360 0.000 1.142 210 L HN -0.085 nan 8.230 nan 0.000 0.443 211 P HA 0.033 nan 4.420 nan 0.000 0.271 211 P C -0.004 177.249 177.300 -0.078 0.000 1.244 211 P CA -0.363 62.585 63.100 -0.254 0.000 0.793 211 P CB 0.602 32.096 31.700 -0.342 0.000 0.984 212 D N 0.304 120.683 120.400 -0.034 0.000 2.149 212 D HA -0.156 4.485 4.640 0.001 0.000 0.198 212 D C 0.804 177.127 176.300 0.038 0.000 0.990 212 D CA 1.515 55.512 54.000 -0.005 0.000 0.839 212 D CB -0.457 40.344 40.800 0.000 0.000 0.948 212 D HN 0.531 nan 8.370 nan 0.000 0.460 213 D N -1.422 119.039 120.400 0.101 0.000 2.395 213 D HA -0.015 4.626 4.640 0.001 0.000 0.226 213 D C -0.154 176.230 176.300 0.140 0.000 1.146 213 D CA -0.464 53.595 54.000 0.099 0.000 0.830 213 D CB -0.668 40.176 40.800 0.074 0.000 0.958 213 D HN 0.096 nan 8.370 nan 0.000 0.501 214 W N 0.984 122.203 121.300 -0.134 0.000 2.576 214 W HA 0.508 5.168 4.660 0.001 0.000 0.360 214 W C 0.424 176.806 176.519 -0.229 0.000 1.109 214 W CA -0.737 56.503 57.345 -0.175 0.000 1.237 214 W CB 1.396 30.743 29.460 -0.188 0.000 1.369 214 W HN -0.395 nan 8.180 nan 0.000 0.609 215 K N 1.598 121.903 120.400 -0.158 0.000 2.385 215 K HA 0.623 4.943 4.320 0.001 0.000 0.248 215 K C -1.753 174.579 176.600 -0.446 0.000 0.955 215 K CA -1.319 54.764 56.287 -0.340 0.000 0.816 215 K CB 2.367 34.543 32.500 -0.540 0.000 1.250 215 K HN 0.220 nan 8.250 nan 0.000 0.434 216 L N 2.944 123.972 121.223 -0.325 0.000 2.319 216 L HA 0.488 4.829 4.340 0.001 0.000 0.281 216 L C -1.714 175.125 176.870 -0.051 0.000 1.005 216 L CA -0.283 54.459 54.840 -0.164 0.000 0.828 216 L CB 0.474 42.543 42.059 0.017 0.000 1.227 216 L HN 0.366 nan 8.230 nan 0.000 0.415 217 F N 2.819 122.839 119.950 0.117 0.000 2.415 217 F HA 0.630 5.158 4.527 0.001 0.000 0.348 217 F C 0.601 176.481 175.800 0.134 0.000 1.119 217 F CA -0.831 57.236 58.000 0.112 0.000 1.069 217 F CB 1.719 40.764 39.000 0.076 0.000 1.124 217 F HN 0.547 nan 8.300 nan 0.000 0.472 218 S N 1.541 117.457 115.700 0.360 0.000 2.509 218 S HA 0.600 5.071 4.470 0.001 0.000 0.297 218 S C -0.772 173.976 174.600 0.246 0.000 1.118 218 S CA -0.887 57.499 58.200 0.310 0.000 1.074 218 S CB 2.142 65.547 63.200 0.341 0.000 1.038 218 S HN 0.686 nan 8.310 nan 0.000 0.498 219 E N 2.402 122.745 120.200 0.239 0.000 2.191 219 E HA 0.221 4.572 4.350 0.001 0.000 0.263 219 E C -0.423 176.311 176.600 0.223 0.000 0.881 219 E CA -0.755 55.733 56.400 0.147 0.000 0.757 219 E CB 0.683 30.463 29.700 0.133 0.000 1.147 219 E HN 0.921 nan 8.360 nan 0.000 0.414 220 H N 3.107 122.264 119.070 0.144 0.000 2.547 220 H HA 0.507 5.064 4.556 0.001 0.000 0.362 220 H C -0.827 174.586 175.328 0.140 0.000 1.181 220 H CA -0.637 55.471 56.048 0.100 0.000 1.376 220 H CB 1.348 31.132 29.762 0.037 0.000 1.488 220 H HN 0.371 nan 8.280 nan 0.000 0.583 221 K N 2.694 123.172 120.400 0.130 0.000 2.571 221 K HA 0.099 4.420 4.320 0.001 0.000 0.252 221 K C 0.682 177.237 176.600 -0.074 0.000 0.956 221 K CA -0.571 55.652 56.287 -0.107 0.000 0.822 221 K CB 2.474 34.830 32.500 -0.241 0.000 1.286 221 K HN 0.707 nan 8.250 nan 0.000 0.439 222 M N 3.403 122.962 119.600 -0.068 0.000 2.108 222 M HA -0.118 4.363 4.480 0.001 0.000 0.261 222 M C -0.400 175.972 176.300 0.120 0.000 1.066 222 M CA 1.737 57.067 55.300 0.050 0.000 1.107 222 M CB 0.113 32.821 32.600 0.179 0.000 1.356 222 M HN 0.622 nan 8.290 nan 0.000 0.406 223 Y N -2.450 117.790 120.300 -0.099 0.000 2.713 223 Y HA 0.501 5.052 4.550 0.001 0.000 0.335 223 Y C -1.130 174.686 175.900 -0.140 0.000 1.222 223 Y CA -1.704 56.331 58.100 -0.108 0.000 1.061 223 Y CB 0.298 38.755 38.460 -0.005 0.000 1.314 223 Y HN 0.313 nan 8.280 nan 0.000 0.453 224 E N 1.727 121.768 120.200 -0.265 0.000 7.504 224 E HA -0.114 4.237 4.350 0.001 0.000 0.337 224 E C -2.354 174.128 176.600 -0.198 0.000 0.701 224 E CA 0.468 56.636 56.400 -0.387 0.000 1.302 224 E CB 0.182 29.738 29.700 -0.240 0.000 0.927 224 E HN 0.661 nan 8.360 nan 0.000 0.263 225 P HA -0.052 nan 4.420 nan 0.000 0.226 225 P C 0.310 177.140 177.300 -0.784 0.000 1.153 225 P CA 1.294 64.151 63.100 -0.405 0.000 0.777 225 P CB 0.156 31.770 31.700 -0.144 0.000 0.794 226 A N -0.258 122.249 122.820 -0.521 0.000 2.362 226 A HA 0.363 4.684 4.320 0.001 0.000 0.276 226 A C -0.014 177.293 177.584 -0.462 0.000 1.153 226 A CA -0.332 51.465 52.037 -0.400 0.000 0.813 226 A CB -0.410 18.494 19.000 -0.160 0.000 1.081 226 A HN -0.026 nan 8.150 nan 0.000 0.507 227 F N 1.234 121.227 119.950 0.071 0.000 2.639 227 F HA 0.200 4.728 4.527 0.001 0.000 0.302 227 F C 0.920 176.753 175.800 0.055 0.000 1.097 227 F CA 0.135 58.170 58.000 0.057 0.000 1.294 227 F CB -0.079 38.927 39.000 0.010 0.000 1.027 227 F HN 0.809 nan 8.300 nan 0.000 0.550 228 Y N -0.174 120.165 120.300 0.065 0.000 2.846 228 Y HA 0.353 4.903 4.550 0.001 0.000 0.258 228 Y C 0.505 176.434 175.900 0.048 0.000 1.077 228 Y CA 0.300 58.428 58.100 0.046 0.000 1.270 228 Y CB 0.252 38.736 38.460 0.041 0.000 1.476 228 Y HN -0.146 nan 8.280 nan 0.000 0.460 229 S N -0.137 115.415 115.700 -0.246 0.000 2.564 229 S HA 0.748 5.219 4.470 0.001 0.000 0.274 229 S C -1.053 173.458 174.600 -0.148 0.000 1.124 229 S CA -0.419 57.580 58.200 -0.336 0.000 0.869 229 S CB 2.172 65.192 63.200 -0.300 0.000 1.105 229 S HN 0.106 nan 8.310 nan 0.000 0.472 230 T N 2.190 116.626 114.554 -0.196 0.000 2.886 230 T HA 0.432 4.783 4.350 0.001 0.000 0.292 230 T C 1.201 175.773 174.700 -0.213 0.000 1.012 230 T CA -0.617 61.386 62.100 -0.160 0.000 0.982 230 T CB 1.647 70.433 68.868 -0.137 0.000 1.018 230 T HN 0.520 nan 8.240 nan 0.000 0.451 231 V N 2.726 122.525 119.914 -0.191 0.000 2.233 231 V HA -0.074 4.047 4.120 0.001 0.000 0.247 231 V C 1.272 177.118 176.094 -0.413 0.000 1.050 231 V CA 1.446 63.592 62.300 -0.258 0.000 1.010 231 V CB -0.199 31.511 31.823 -0.188 0.000 0.637 231 V HN 0.716 nan 8.190 nan 0.000 0.444 232 V N 3.196 122.893 119.914 -0.362 0.000 2.174 232 V HA 0.117 4.238 4.120 0.001 0.000 0.259 232 V C 1.342 177.343 176.094 -0.155 0.000 1.261 232 V CA 0.003 62.117 62.300 -0.309 0.000 1.137 232 V CB 0.472 32.159 31.823 -0.227 0.000 1.290 232 V HN 0.632 nan 8.190 nan 0.000 0.486 233 Q N 2.128 121.799 119.800 -0.215 0.000 2.187 233 Q HA -0.029 4.312 4.340 0.001 0.000 0.199 233 Q C 0.203 176.168 176.000 -0.058 0.000 0.957 233 Q CA 1.578 57.297 55.803 -0.140 0.000 0.857 233 Q CB 0.416 29.024 28.738 -0.217 0.000 0.929 233 Q HN 0.774 nan 8.270 nan 0.000 0.453 234 D N -1.985 118.336 120.400 -0.132 0.000 2.752 234 D HA 0.039 4.680 4.640 0.001 0.000 0.313 234 D C 0.879 176.907 176.300 -0.453 0.000 1.225 234 D CA -0.514 53.374 54.000 -0.187 0.000 0.976 234 D CB -0.883 39.840 40.800 -0.128 0.000 1.443 234 D HN 0.154 nan 8.370 nan 0.000 0.515 235 W N 0.537 121.367 121.300 -0.785 0.000 2.465 235 W HA 0.112 4.773 4.660 0.001 0.000 0.268 235 W C 0.995 177.386 176.519 -0.212 0.000 1.242 235 W CA 1.050 58.026 57.345 -0.615 0.000 1.248 235 W CB -1.217 28.009 29.460 -0.390 0.000 1.118 235 W HN 0.442 nan 8.180 nan 0.000 0.587 236 G N 1.536 109.749 108.800 -0.977 0.000 2.404 236 G HA2 -0.238 3.723 3.960 0.001 0.000 0.215 236 G HA3 -0.238 3.723 3.960 0.001 0.000 0.215 236 G C 1.501 176.154 174.900 -0.411 0.000 1.174 236 G CA 1.951 46.498 45.100 -0.921 0.000 0.780 236 G HN 0.284 nan 8.290 nan 0.000 0.537 237 T N 0.987 115.319 114.554 -0.370 0.000 2.821 237 T HA -0.122 4.229 4.350 0.001 0.000 0.267 237 T C 2.338 176.968 174.700 -0.117 0.000 1.046 237 T CA 1.214 63.115 62.100 -0.332 0.000 1.139 237 T CB -0.252 68.295 68.868 -0.535 0.000 0.871 237 T HN 0.219 nan 8.240 nan 0.000 0.454 238 N N 0.504 119.165 118.700 -0.065 0.000 2.120 238 N HA -0.107 4.634 4.740 0.001 0.000 0.188 238 N C 1.561 177.165 175.510 0.157 0.000 1.024 238 N CA 1.108 54.224 53.050 0.109 0.000 0.852 238 N CB -0.429 38.187 38.487 0.215 0.000 1.003 238 N HN 0.486 nan 8.380 nan 0.000 0.424 239 Y N 1.124 121.438 120.300 0.023 0.000 2.181 239 Y HA -0.033 4.518 4.550 0.001 0.000 0.288 239 Y C 2.113 178.040 175.900 0.045 0.000 1.146 239 Y CA 1.324 59.453 58.100 0.050 0.000 1.164 239 Y CB -0.422 38.007 38.460 -0.052 0.000 0.982 239 Y HN 0.037 nan 8.280 nan 0.000 0.515 240 L N -0.448 120.754 121.223 -0.035 0.000 2.079 240 L HA -0.246 4.095 4.340 0.001 0.000 0.210 240 L C 2.367 179.241 176.870 0.006 0.000 1.081 240 L CA 1.391 56.215 54.840 -0.026 0.000 0.752 240 L CB -0.556 41.597 42.059 0.156 0.000 0.896 240 L HN 0.289 nan 8.230 nan 0.000 0.433 241 I N -0.212 120.437 120.570 0.132 0.000 2.133 241 I HA -0.270 3.901 4.170 0.001 0.000 0.238 241 I C 2.832 178.974 176.117 0.041 0.000 1.074 241 I CA 1.254 62.656 61.300 0.171 0.000 1.342 241 I CB -0.486 37.712 38.000 0.329 0.000 1.053 241 I HN 0.176 nan 8.210 nan 0.000 0.404 242 A N 0.016 122.851 122.820 0.025 0.000 1.908 242 A HA -0.304 4.017 4.320 0.001 0.000 0.218 242 A C 2.227 179.749 177.584 -0.104 0.000 1.181 242 A CA 2.058 54.103 52.037 0.014 0.000 0.627 242 A CB -0.680 18.367 19.000 0.078 0.000 0.818 242 A HN 0.430 nan 8.150 nan 0.000 0.445 243 Q N -0.460 119.158 119.800 -0.303 0.000 2.119 243 Q HA -0.096 4.244 4.340 0.001 0.000 0.201 243 Q C 2.031 177.925 176.000 -0.176 0.000 0.972 243 Q CA 2.428 58.047 55.803 -0.307 0.000 0.847 243 Q CB -0.821 27.574 28.738 -0.572 0.000 0.903 243 Q HN 0.593 nan 8.270 nan 0.000 0.433 244 T N 0.609 115.065 114.554 -0.164 0.000 2.737 244 T HA -0.044 4.307 4.350 0.001 0.000 0.265 244 T C 1.713 176.294 174.700 -0.198 0.000 1.038 244 T CA 1.255 63.265 62.100 -0.149 0.000 1.144 244 T CB -0.225 68.560 68.868 -0.138 0.000 0.866 244 T HN 0.210 nan 8.240 nan 0.000 0.434 245 L N 0.202 121.296 121.223 -0.215 0.000 2.017 245 L HA 0.177 4.517 4.340 0.001 0.000 0.208 245 L C 1.547 178.012 176.870 -0.675 0.000 1.073 245 L CA 1.042 55.633 54.840 -0.415 0.000 0.745 245 L CB -0.713 41.196 42.059 -0.250 0.000 0.894 245 L HN 0.536 nan 8.230 nan 0.000 0.432 246 G N -2.691 105.922 108.800 -0.312 0.000 2.369 246 G HA2 -0.012 3.949 3.960 0.001 0.000 0.295 246 G HA3 -0.012 3.949 3.960 0.001 0.000 0.295 246 G C -2.599 172.381 174.900 0.133 0.000 1.298 246 G CA -0.499 44.514 45.100 -0.146 0.000 0.940 246 G HN -0.239 nan 8.290 nan 0.000 0.536 247 P HA -0.039 nan 4.420 nan 0.000 0.217 247 P C 1.486 178.917 177.300 0.218 0.000 1.148 247 P CA 1.562 64.775 63.100 0.189 0.000 0.828 247 P CB 0.055 31.850 31.700 0.157 0.000 0.783 248 K N -1.242 119.334 120.400 0.294 0.000 2.459 248 K HA 0.227 4.548 4.320 0.001 0.000 0.193 248 K C 0.725 177.437 176.600 0.186 0.000 1.030 248 K CA -0.031 56.342 56.287 0.143 0.000 1.026 248 K CB 0.131 32.551 32.500 -0.134 0.000 0.809 248 K HN 0.067 nan 8.250 nan 0.000 0.504 249 A N 1.744 124.769 122.820 0.341 0.000 2.276 249 A HA 0.341 4.661 4.320 0.001 0.000 0.316 249 A C -0.524 177.223 177.584 0.271 0.000 1.229 249 A CA -0.459 51.753 52.037 0.292 0.000 0.851 249 A CB 0.586 19.765 19.000 0.297 0.000 1.165 249 A HN 0.098 nan 8.150 nan 0.000 0.513 250 Q N 0.343 120.357 119.800 0.357 0.000 2.605 250 Q HA 0.516 4.857 4.340 0.001 0.000 0.296 250 Q C -1.359 174.871 176.000 0.383 0.000 1.056 250 Q CA -0.824 55.211 55.803 0.388 0.000 0.778 250 Q CB 2.238 31.252 28.738 0.460 0.000 1.497 250 Q HN 0.774 nan 8.270 nan 0.000 0.443 251 C N 1.205 120.673 119.300 0.280 0.000 2.358 251 C HA 0.627 5.088 4.460 0.001 0.000 0.342 251 C C -0.202 174.815 174.990 0.043 0.000 1.234 251 C CA -0.726 58.425 59.018 0.222 0.000 1.969 251 C CB -0.191 27.726 27.740 0.296 0.000 2.346 251 C HN 0.559 nan 8.230 nan 0.000 0.525 252 L N 2.543 123.735 121.223 -0.052 0.000 2.317 252 L HA 0.612 4.953 4.340 0.001 0.000 0.281 252 L C -0.569 176.100 176.870 -0.335 0.000 1.024 252 L CA -0.406 54.238 54.840 -0.326 0.000 0.810 252 L CB 1.448 43.187 42.059 -0.533 0.000 1.240 252 L HN 0.421 nan 8.230 nan 0.000 0.427 253 V N 2.149 121.794 119.914 -0.449 0.000 2.334 253 V HA 0.214 4.335 4.120 0.001 0.000 0.281 253 V C -0.333 175.141 176.094 -1.033 0.000 1.016 253 V CA -0.575 61.407 62.300 -0.532 0.000 0.832 253 V CB 1.468 33.104 31.823 -0.311 0.000 0.999 253 V HN 0.638 nan 8.190 nan 0.000 0.439 254 D N 4.040 123.903 120.400 -0.894 0.000 2.317 254 D HA 0.191 4.832 4.640 0.001 0.000 0.234 254 D C 1.051 176.979 176.300 -0.620 0.000 1.112 254 D CA -0.381 53.065 54.000 -0.924 0.000 0.840 254 D CB 1.931 41.951 40.800 -1.300 0.000 1.078 254 D HN 0.453 nan 8.370 nan 0.000 0.486 255 L N 3.881 124.795 121.223 -0.514 0.000 2.034 255 L HA -0.182 4.159 4.340 0.001 0.000 0.217 255 L C 1.935 178.883 176.870 0.130 0.000 1.077 255 L CA 2.253 57.073 54.840 -0.034 0.000 0.769 255 L CB -0.166 42.004 42.059 0.185 0.000 0.890 255 L HN 0.596 nan 8.230 nan 0.000 0.435 256 G N -2.961 105.855 108.800 0.026 0.000 3.026 256 G HA2 -0.091 3.870 3.960 0.001 0.000 0.208 256 G HA3 -0.091 3.870 3.960 0.001 0.000 0.208 256 G C 0.724 175.716 174.900 0.154 0.000 1.169 256 G CA -0.054 45.114 45.100 0.113 0.000 0.788 256 G HN 0.637 nan 8.290 nan 0.000 0.533 257 H N -0.063 118.880 119.070 -0.211 0.000 2.537 257 H HA 0.179 4.736 4.556 0.001 0.000 0.295 257 H C 0.001 175.029 175.328 -0.500 0.000 1.054 257 H CA -0.425 55.380 56.048 -0.405 0.000 1.156 257 H CB 0.298 29.730 29.762 -0.549 0.000 1.468 257 H HN 0.368 nan 8.280 nan 0.000 0.551 258 H N -0.247 118.915 119.070 0.153 0.000 2.710 258 H HA 0.448 5.005 4.556 0.001 0.000 0.361 258 H C 0.028 175.449 175.328 0.155 0.000 1.175 258 H CA -0.883 55.262 56.048 0.162 0.000 1.206 258 H CB 1.596 31.440 29.762 0.135 0.000 1.750 258 H HN 0.221 nan 8.280 nan 0.000 0.553 259 A N 1.957 124.932 122.820 0.259 0.000 2.448 259 A HA 0.233 4.554 4.320 0.001 0.000 0.239 259 A C -2.155 175.529 177.584 0.167 0.000 1.080 259 A CA -1.030 51.121 52.037 0.191 0.000 0.779 259 A CB -0.698 18.382 19.000 0.134 0.000 1.026 259 A HN 0.398 nan 8.150 nan 0.000 0.499 260 P HA 0.061 nan 4.420 nan 0.000 0.264 260 P C -0.032 177.315 177.300 0.080 0.000 1.183 260 P CA 0.581 63.744 63.100 0.105 0.000 0.763 260 P CB 0.205 31.958 31.700 0.090 0.000 0.807 261 N N -1.210 117.528 118.700 0.063 0.000 2.863 261 N HA -0.138 4.603 4.740 0.001 0.000 0.245 261 N C -0.383 175.147 175.510 0.034 0.000 1.001 261 N CA 1.161 54.235 53.050 0.041 0.000 0.901 261 N CB -2.308 36.200 38.487 0.035 0.000 1.124 261 N HN 0.388 nan 8.380 nan 0.000 0.582 262 T N 1.637 116.222 114.554 0.052 0.000 2.946 262 T HA -0.041 4.310 4.350 0.001 0.000 0.311 262 T C 0.822 175.503 174.700 -0.033 0.000 1.063 262 T CA -0.028 62.091 62.100 0.031 0.000 1.139 262 T CB 0.573 69.485 68.868 0.074 0.000 0.994 262 T HN 0.148 nan 8.240 nan 0.000 0.547 263 N N 2.926 121.592 118.700 -0.057 0.000 2.555 263 N HA 0.122 4.863 4.740 0.001 0.000 0.244 263 N C 0.999 176.405 175.510 -0.174 0.000 1.114 263 N CA -0.163 52.829 53.050 -0.096 0.000 0.963 263 N CB 0.021 38.459 38.487 -0.083 0.000 1.276 263 N HN 0.551 nan 8.380 nan 0.000 0.510 264 I N 1.902 122.349 120.570 -0.204 0.000 2.315 264 I HA -0.231 3.940 4.170 0.001 0.000 0.248 264 I C 2.223 178.201 176.117 -0.231 0.000 1.117 264 I CA 0.739 61.859 61.300 -0.300 0.000 1.404 264 I CB 0.000 37.830 38.000 -0.283 0.000 1.071 264 I HN 0.528 nan 8.210 nan 0.000 0.419 265 E N 1.498 121.583 120.200 -0.191 0.000 2.160 265 E HA -0.307 4.043 4.350 0.001 0.000 0.195 265 E C 2.106 178.579 176.600 -0.212 0.000 0.991 265 E CA 1.446 57.726 56.400 -0.200 0.000 0.810 265 E CB -0.687 28.886 29.700 -0.212 0.000 0.742 265 E HN 0.577 nan 8.360 nan 0.000 0.466 266 M N 0.843 120.311 119.600 -0.221 0.000 2.132 266 M HA -0.069 4.412 4.480 0.001 0.000 0.263 266 M C 2.292 178.371 176.300 -0.369 0.000 1.065 266 M CA 1.276 56.434 55.300 -0.238 0.000 1.122 266 M CB -0.061 32.424 32.600 -0.192 0.000 1.365 266 M HN 0.012 nan 8.290 nan 0.000 0.411 267 I N -0.294 119.981 120.570 -0.493 0.000 2.208 267 I HA -0.285 3.886 4.170 0.001 0.000 0.245 267 I C 2.222 178.033 176.117 -0.511 0.000 1.097 267 I CA 1.116 61.923 61.300 -0.822 0.000 1.363 267 I CB -0.482 37.054 38.000 -0.773 0.000 1.051 267 I HN 0.166 nan 8.210 nan 0.000 0.413 268 V N 1.050 120.802 119.914 -0.270 0.000 2.332 268 V HA -0.323 3.798 4.120 0.001 0.000 0.248 268 V C 2.716 178.724 176.094 -0.143 0.000 1.055 268 V CA 2.085 64.312 62.300 -0.121 0.000 1.038 268 V CB -1.024 30.757 31.823 -0.070 0.000 0.651 268 V HN 0.514 nan 8.190 nan 0.000 0.450 269 A N -0.264 122.444 122.820 -0.187 0.000 1.902 269 A HA -0.187 4.134 4.320 0.001 0.000 0.217 269 A C 2.370 179.878 177.584 -0.128 0.000 1.181 269 A CA 1.442 53.384 52.037 -0.159 0.000 0.623 269 A CB -0.433 18.475 19.000 -0.153 0.000 0.818 269 A HN 0.409 nan 8.150 nan 0.000 0.443 270 R N -0.395 119.991 120.500 -0.191 0.000 2.073 270 R HA -0.031 4.310 4.340 0.001 0.000 0.234 270 R C 2.102 178.447 176.300 0.075 0.000 1.134 270 R CA 1.280 57.327 56.100 -0.089 0.000 0.952 270 R CB -0.991 29.076 30.300 -0.388 0.000 0.850 270 R HN 0.580 nan 8.270 nan 0.000 0.433 271 L N 0.353 121.562 121.223 -0.022 0.000 2.083 271 L HA -0.132 4.209 4.340 0.001 0.000 0.209 271 L C 2.463 179.435 176.870 0.171 0.000 1.083 271 L CA 1.045 55.986 54.840 0.168 0.000 0.752 271 L CB -0.365 41.789 42.059 0.158 0.000 0.899 271 L HN 0.113 nan 8.230 nan 0.000 0.433 272 I N -0.623 119.967 120.570 0.034 0.000 2.252 272 I HA -0.313 3.858 4.170 0.001 0.000 0.245 272 I C 2.701 178.774 176.117 -0.074 0.000 1.102 272 I CA 1.214 62.461 61.300 -0.088 0.000 1.385 272 I CB -0.277 37.539 38.000 -0.305 0.000 1.064 272 I HN 0.376 nan 8.210 nan 0.000 0.414 273 Q N 0.871 120.640 119.800 -0.052 0.000 2.135 273 Q HA -0.208 4.133 4.340 0.001 0.000 0.204 273 Q C 1.426 177.263 176.000 -0.272 0.000 0.981 273 Q CA 1.851 57.558 55.803 -0.161 0.000 0.856 273 Q CB 0.011 28.662 28.738 -0.146 0.000 0.902 273 Q HN 0.467 nan 8.270 nan 0.000 0.425 274 F N -0.668 119.305 119.950 0.038 0.000 2.645 274 F HA 0.313 4.841 4.527 0.001 0.000 0.300 274 F C 1.175 177.087 175.800 0.186 0.000 1.115 274 F CA 0.310 58.380 58.000 0.117 0.000 1.355 274 F CB 0.737 39.807 39.000 0.116 0.000 1.026 274 F HN 0.177 nan 8.300 nan 0.000 0.536 275 G N 0.954 109.885 108.800 0.219 0.000 2.283 275 G HA2 -0.322 3.639 3.960 0.001 0.000 0.280 275 G HA3 -0.322 3.639 3.960 0.001 0.000 0.280 275 G C 0.931 176.006 174.900 0.292 0.000 1.029 275 G CA 0.221 45.453 45.100 0.221 0.000 0.840 275 G HN 0.243 nan 8.290 nan 0.000 0.505 276 K N -0.939 119.665 120.400 0.340 0.000 2.564 276 K HA 0.274 4.595 4.320 0.001 0.000 0.205 276 K C 0.407 177.193 176.600 0.310 0.000 1.053 276 K CA -0.545 55.951 56.287 0.348 0.000 1.072 276 K CB 0.685 33.447 32.500 0.437 0.000 0.822 276 K HN 0.390 nan 8.250 nan 0.000 0.497 277 L N 1.017 122.415 121.223 0.292 0.000 2.302 277 L HA 0.326 4.666 4.340 0.001 0.000 0.285 277 L C 1.139 178.132 176.870 0.205 0.000 1.090 277 L CA 0.189 55.181 54.840 0.255 0.000 0.866 277 L CB 0.832 43.077 42.059 0.311 0.000 1.244 277 L HN 0.222 nan 8.230 nan 0.000 0.435 278 G N 3.013 111.847 108.800 0.056 0.000 2.421 278 G HA2 0.399 4.360 3.960 0.001 0.000 0.217 278 G HA3 0.399 4.360 3.960 0.001 0.000 0.217 278 G C 0.562 175.169 174.900 -0.488 0.000 1.143 278 G CA 0.652 45.648 45.100 -0.173 0.000 0.784 278 G HN 0.984 nan 8.290 nan 0.000 0.541 279 G N -1.937 106.647 108.800 -0.360 0.000 2.328 279 G HA2 0.404 4.364 3.960 0.001 0.000 0.295 279 G HA3 0.404 4.364 3.960 0.001 0.000 0.295 279 G C -2.091 172.791 174.900 -0.030 0.000 1.413 279 G CA -0.880 44.095 45.100 -0.209 0.000 0.817 279 G HN 0.224 nan 8.290 nan 0.000 0.546 280 F N 0.759 120.765 119.950 0.092 0.000 2.520 280 F HA 0.666 5.193 4.527 0.001 0.000 0.322 280 F C 0.010 175.662 175.800 -0.247 0.000 1.103 280 F CA -0.645 57.204 58.000 -0.253 0.000 0.926 280 F CB 1.832 40.480 39.000 -0.586 0.000 1.154 280 F HN 0.487 nan 8.300 nan 0.000 0.453 281 H N 6.179 124.828 119.070 -0.702 0.000 2.541 281 H HA 0.286 4.843 4.556 0.001 0.000 0.316 281 H C -1.008 174.095 175.328 -0.374 0.000 1.043 281 H CA -0.750 55.069 56.048 -0.381 0.000 1.232 281 H CB 0.930 30.483 29.762 -0.348 0.000 1.406 281 H HN 0.411 nan 8.280 nan 0.000 0.469 282 F N 3.378 123.478 119.950 0.250 0.000 2.384 282 F HA 0.156 4.684 4.527 0.001 0.000 0.338 282 F C 0.538 176.417 175.800 0.132 0.000 1.103 282 F CA -0.234 57.925 58.000 0.264 0.000 1.157 282 F CB 0.910 40.053 39.000 0.240 0.000 1.167 282 F HN 0.731 nan 8.300 nan 0.000 0.529 283 N N -0.519 118.380 118.700 0.332 0.000 3.717 283 N HA 0.297 5.038 4.740 0.001 0.000 0.239 283 N C -2.256 173.370 175.510 0.195 0.000 1.388 283 N CA -0.987 52.183 53.050 0.199 0.000 0.828 283 N CB 0.871 39.416 38.487 0.096 0.000 1.468 283 N HN 0.326 nan 8.380 nan 0.000 0.445 284 D N -1.551 118.935 120.400 0.143 0.000 2.531 284 D HA 0.813 5.453 4.640 0.001 0.000 0.244 284 D C -1.259 175.101 176.300 0.100 0.000 1.090 284 D CA -0.078 54.000 54.000 0.130 0.000 0.989 284 D CB 2.107 42.980 40.800 0.123 0.000 1.433 284 D HN 0.810 nan 8.370 nan 0.000 0.492 285 S N -0.212 115.539 115.700 0.084 0.000 2.587 285 S HA 0.429 4.899 4.470 0.001 0.000 0.269 285 S C -0.067 174.537 174.600 0.006 0.000 1.154 285 S CA -0.757 57.485 58.200 0.069 0.000 0.824 285 S CB 2.512 65.766 63.200 0.090 0.000 1.118 285 S HN 0.481 nan 8.310 nan 0.000 0.462 286 K N -0.706 119.655 120.400 -0.065 0.000 2.504 286 K HA 0.332 4.653 4.320 0.001 0.000 0.203 286 K C 0.221 176.548 176.600 -0.454 0.000 1.350 286 K CA 0.009 56.103 56.287 -0.322 0.000 0.953 286 K CB 0.135 32.299 32.500 -0.561 0.000 1.243 286 K HN 0.671 nan 8.250 nan 0.000 0.534 287 Y N -0.648 119.711 120.300 0.099 0.000 2.576 287 Y HA 0.408 4.959 4.550 0.001 0.000 0.282 287 Y C 1.387 177.379 175.900 0.153 0.000 1.139 287 Y CA 0.348 58.515 58.100 0.113 0.000 1.265 287 Y CB 0.691 39.214 38.460 0.106 0.000 1.376 287 Y HN 0.143 nan 8.280 nan 0.000 0.511 288 G N -1.000 107.987 108.800 0.311 0.000 3.100 288 G HA2 0.149 4.110 3.960 0.001 0.000 0.174 288 G HA3 0.149 4.110 3.960 0.001 0.000 0.174 288 G C -1.400 173.576 174.900 0.125 0.000 1.136 288 G CA -0.365 44.892 45.100 0.262 0.000 0.881 288 G HN -0.087 nan 8.290 nan 0.000 0.616 289 D N 0.818 121.217 120.400 -0.002 0.000 2.608 289 D HA 0.250 4.891 4.640 0.001 0.000 0.224 289 D C 0.473 176.789 176.300 0.026 0.000 1.123 289 D CA -0.303 53.686 54.000 -0.018 0.000 1.030 289 D CB 0.047 40.742 40.800 -0.175 0.000 1.093 289 D HN 0.154 nan 8.370 nan 0.000 0.497 290 D N 1.174 121.624 120.400 0.084 0.000 2.264 290 D HA -0.117 4.524 4.640 0.001 0.000 0.208 290 D C 0.246 176.584 176.300 0.064 0.000 0.966 290 D CA 0.427 54.489 54.000 0.103 0.000 0.864 290 D CB -0.010 40.879 40.800 0.149 0.000 0.933 290 D HN 0.419 nan 8.370 nan 0.000 0.499 291 D N -0.061 120.365 120.400 0.044 0.000 2.751 291 D HA -0.182 4.459 4.640 0.001 0.000 0.233 291 D C 0.028 176.334 176.300 0.010 0.000 1.149 291 D CA 0.376 54.385 54.000 0.015 0.000 0.682 291 D CB -1.369 39.422 40.800 -0.016 0.000 1.068 291 D HN 0.329 nan 8.370 nan 0.000 0.429 292 L N -0.000 121.256 121.223 0.055 0.000 2.468 292 L HA 0.222 4.563 4.340 0.001 0.000 0.254 292 L C 0.971 177.900 176.870 0.098 0.000 1.171 292 L CA -0.671 54.213 54.840 0.074 0.000 0.809 292 L CB 0.399 42.515 42.059 0.095 0.000 1.155 292 L HN -0.194 nan 8.230 nan 0.000 0.473 293 D N 1.292 121.768 120.400 0.128 0.000 2.533 293 D HA 0.185 4.826 4.640 0.001 0.000 0.236 293 D C 0.170 176.550 176.300 0.133 0.000 1.137 293 D CA 0.278 54.367 54.000 0.148 0.000 0.867 293 D CB 0.624 41.505 40.800 0.134 0.000 1.170 293 D HN 0.587 nan 8.370 nan 0.000 0.474 294 A N 2.235 125.144 122.820 0.149 0.000 2.567 294 A HA 0.422 4.743 4.320 0.001 0.000 0.240 294 A C 1.683 179.346 177.584 0.131 0.000 1.053 294 A CA 0.465 52.603 52.037 0.168 0.000 0.755 294 A CB -0.321 18.790 19.000 0.185 0.000 0.978 294 A HN 0.996 nan 8.150 nan 0.000 0.507 295 G N 0.971 109.858 108.800 0.145 0.000 2.184 295 G HA2 -0.086 3.875 3.960 0.001 0.000 0.264 295 G HA3 -0.086 3.875 3.960 0.001 0.000 0.264 295 G C 1.144 176.108 174.900 0.107 0.000 0.975 295 G CA 1.181 46.359 45.100 0.129 0.000 0.642 295 G HN 2.061 nan 8.290 nan 0.000 0.536 296 A N -0.547 122.331 122.820 0.097 0.000 2.066 296 A HA 0.443 4.764 4.320 0.001 0.000 0.218 296 A C 2.183 179.812 177.584 0.075 0.000 1.157 296 A CA 1.860 53.946 52.037 0.081 0.000 0.670 296 A CB -0.146 18.903 19.000 0.082 0.000 0.804 296 A HN 0.519 nan 8.150 nan 0.000 0.453 297 I N -1.511 119.106 120.570 0.078 0.000 3.366 297 I HA 0.145 4.316 4.170 0.001 0.000 0.267 297 I C 0.265 176.422 176.117 0.065 0.000 1.149 297 I CA 0.733 62.069 61.300 0.059 0.000 1.436 297 I CB -0.716 37.308 38.000 0.041 0.000 1.379 297 I HN 0.220 nan 8.210 nan 0.000 0.460 298 E N 2.474 122.726 120.200 0.085 0.000 2.873 298 E HA 0.193 4.544 4.350 0.001 0.000 0.232 298 E C -1.817 174.865 176.600 0.137 0.000 1.123 298 E CA -1.402 55.058 56.400 0.099 0.000 0.809 298 E CB 1.774 31.519 29.700 0.075 0.000 1.366 298 E HN 0.132 nan 8.360 nan 0.000 0.400 299 P HA -0.203 nan 4.420 nan 0.000 0.220 299 P C 1.194 178.664 177.300 0.284 0.000 1.148 299 P CA 0.922 64.170 63.100 0.246 0.000 0.803 299 P CB 0.256 32.124 31.700 0.280 0.000 0.782 300 Y N 1.988 122.269 120.300 -0.031 0.000 2.200 300 Y HA -0.107 4.443 4.550 0.001 0.000 0.290 300 Y C 2.883 178.740 175.900 -0.073 0.000 1.137 300 Y CA 1.243 59.123 58.100 -0.366 0.000 1.163 300 Y CB -0.872 37.296 38.460 -0.486 0.000 0.988 300 Y HN -0.219 nan 8.280 nan 0.000 0.518 301 R N -0.236 120.247 120.500 -0.029 0.000 2.091 301 R HA -0.194 4.147 4.340 0.001 0.000 0.238 301 R C 2.197 178.462 176.300 -0.059 0.000 1.136 301 R CA 1.729 57.774 56.100 -0.092 0.000 0.959 301 R CB -0.675 29.619 30.300 -0.010 0.000 0.856 301 R HN 0.425 nan 8.270 nan 0.000 0.437 302 L N 0.507 121.769 121.223 0.065 0.000 2.046 302 L HA -0.136 4.205 4.340 0.001 0.000 0.208 302 L C 2.023 178.994 176.870 0.167 0.000 1.077 302 L CA 1.743 56.663 54.840 0.133 0.000 0.747 302 L CB -0.772 41.419 42.059 0.219 0.000 0.896 302 L HN 0.288 nan 8.230 nan 0.000 0.432 303 F N -0.459 119.505 119.950 0.022 0.000 2.134 303 F HA -0.184 4.344 4.527 0.001 0.000 0.299 303 F C 1.961 177.699 175.800 -0.103 0.000 1.097 303 F CA 1.663 59.678 58.000 0.025 0.000 1.264 303 F CB -0.317 38.712 39.000 0.047 0.000 1.001 303 F HN 0.057 nan 8.300 nan 0.000 0.479 304 L N -0.536 120.441 121.223 -0.411 0.000 2.141 304 L HA -0.173 4.168 4.340 0.001 0.000 0.209 304 L C 2.356 178.983 176.870 -0.405 0.000 1.094 304 L CA 0.670 55.193 54.840 -0.528 0.000 0.763 304 L CB -0.744 41.039 42.059 -0.460 0.000 0.908 304 L HN 0.070 nan 8.230 nan 0.000 0.437 305 V N -0.750 118.963 119.914 -0.335 0.000 2.358 305 V HA -0.256 3.865 4.120 0.001 0.000 0.246 305 V C 2.205 178.034 176.094 -0.441 0.000 1.047 305 V CA 1.747 63.800 62.300 -0.412 0.000 1.035 305 V CB -0.495 30.969 31.823 -0.598 0.000 0.658 305 V HN 0.223 nan 8.190 nan 0.000 0.452 306 F N 0.880 120.633 119.950 -0.329 0.000 2.293 306 F HA -0.113 4.415 4.527 0.001 0.000 0.300 306 F C 2.274 177.892 175.800 -0.303 0.000 1.086 306 F CA 1.697 59.544 58.000 -0.256 0.000 1.375 306 F CB -0.592 38.277 39.000 -0.219 0.000 1.045 306 F HN 0.243 nan 8.300 nan 0.000 0.516 307 N N 0.272 118.758 118.700 -0.357 0.000 2.166 307 N HA -0.186 4.555 4.740 0.001 0.000 0.186 307 N C 1.728 177.112 175.510 -0.210 0.000 1.019 307 N CA 1.474 54.294 53.050 -0.383 0.000 0.856 307 N CB -0.085 38.053 38.487 -0.582 0.000 0.993 307 N HN 0.067 nan 8.380 nan 0.000 0.426 308 E N 0.234 120.305 120.200 -0.214 0.000 2.107 308 E HA -0.064 4.287 4.350 0.001 0.000 0.191 308 E C 2.107 178.648 176.600 -0.098 0.000 0.982 308 E CA 0.497 56.800 56.400 -0.162 0.000 0.809 308 E CB -0.290 29.300 29.700 -0.183 0.000 0.756 308 E HN 0.478 nan 8.360 nan 0.000 0.459 309 L N 0.288 121.479 121.223 -0.055 0.000 2.046 309 L HA -0.143 4.198 4.340 0.001 0.000 0.208 309 L C 2.478 179.456 176.870 0.180 0.000 1.077 309 L CA 0.771 55.684 54.840 0.122 0.000 0.747 309 L CB -0.436 41.708 42.059 0.141 0.000 0.896 309 L HN -0.014 nan 8.230 nan 0.000 0.432 310 V N -0.293 119.697 119.914 0.127 0.000 2.453 310 V HA -0.262 3.859 4.120 0.001 0.000 0.247 310 V C 2.111 178.225 176.094 0.033 0.000 1.048 310 V CA 1.903 64.269 62.300 0.110 0.000 1.049 310 V CB -0.420 31.428 31.823 0.042 0.000 0.672 310 V HN 0.447 nan 8.190 nan 0.000 0.457 311 D N 0.471 120.857 120.400 -0.024 0.000 2.178 311 D HA -0.137 4.503 4.640 0.001 0.000 0.201 311 D C 2.103 178.368 176.300 -0.059 0.000 0.980 311 D CA 1.353 55.324 54.000 -0.048 0.000 0.842 311 D CB -0.054 40.700 40.800 -0.076 0.000 0.948 311 D HN 0.372 nan 8.370 nan 0.000 0.472 312 A N 0.427 123.197 122.820 -0.083 0.000 1.902 312 A HA -0.220 4.101 4.320 0.001 0.000 0.217 312 A C 2.171 179.713 177.584 -0.069 0.000 1.181 312 A CA 1.847 53.788 52.037 -0.161 0.000 0.623 312 A CB -0.783 17.987 19.000 -0.384 0.000 0.818 312 A HN 0.440 nan 8.150 nan 0.000 0.443 313 E N -0.155 120.063 120.200 0.029 0.000 2.106 313 E HA -0.081 4.270 4.350 0.001 0.000 0.192 313 E C 2.071 178.687 176.600 0.027 0.000 0.984 313 E CA 0.961 57.402 56.400 0.068 0.000 0.806 313 E CB -0.263 29.514 29.700 0.128 0.000 0.750 313 E HN 0.519 nan 8.360 nan 0.000 0.458 314 A N 1.100 123.926 122.820 0.009 0.000 1.933 314 A HA -0.125 4.196 4.320 0.001 0.000 0.218 314 A C 2.142 179.716 177.584 -0.016 0.000 1.175 314 A CA 1.341 53.376 52.037 -0.004 0.000 0.628 314 A CB -0.370 18.622 19.000 -0.013 0.000 0.814 314 A HN 0.157 nan 8.150 nan 0.000 0.444 315 R N -1.424 119.057 120.500 -0.032 0.000 2.307 315 R HA 0.171 4.511 4.340 0.001 0.000 0.199 315 R C 1.107 177.386 176.300 -0.034 0.000 1.000 315 R CA 0.599 56.673 56.100 -0.042 0.000 1.023 315 R CB -0.135 30.125 30.300 -0.067 0.000 0.908 315 R HN 0.712 nan 8.270 nan 0.000 0.473 316 G N 0.771 109.559 108.800 -0.021 0.000 2.212 316 G HA2 -0.229 3.731 3.960 0.001 0.000 0.255 316 G HA3 -0.229 3.731 3.960 0.001 0.000 0.255 316 G C -0.009 174.884 174.900 -0.012 0.000 1.062 316 G CA -0.068 45.028 45.100 -0.006 0.000 0.815 316 G HN 0.126 nan 8.290 nan 0.000 0.497 317 V N -0.027 119.866 119.914 -0.035 0.000 2.585 317 V HA 0.297 4.418 4.120 0.001 0.000 0.296 317 V C 0.917 177.025 176.094 0.023 0.000 1.035 317 V CA 0.171 62.441 62.300 -0.049 0.000 1.084 317 V CB 1.152 32.877 31.823 -0.165 0.000 0.953 317 V HN 0.354 nan 8.190 nan 0.000 0.483 318 K N 2.848 123.273 120.400 0.043 0.000 2.118 318 K HA 0.575 4.895 4.320 0.001 0.000 0.267 318 K C 0.929 177.618 176.600 0.148 0.000 0.991 318 K CA 0.446 56.785 56.287 0.086 0.000 0.916 318 K CB 0.979 33.522 32.500 0.072 0.000 1.041 318 K HN 0.984 nan 8.250 nan 0.000 0.455 319 G N 2.076 110.993 108.800 0.195 0.000 2.283 319 G HA2 -0.275 3.686 3.960 0.001 0.000 0.280 319 G HA3 -0.275 3.686 3.960 0.001 0.000 0.280 319 G C -0.487 174.624 174.900 0.353 0.000 1.029 319 G CA 0.061 45.356 45.100 0.324 0.000 0.840 319 G HN 0.420 nan 8.290 nan 0.000 0.505 320 F N 1.827 121.725 119.950 -0.087 0.000 2.335 320 F HA 0.620 5.148 4.527 0.001 0.000 0.365 320 F C 0.299 175.875 175.800 -0.374 0.000 1.122 320 F CA -1.863 56.070 58.000 -0.112 0.000 1.151 320 F CB 0.442 39.393 39.000 -0.082 0.000 1.282 320 F HN 0.206 nan 8.300 nan 0.000 0.513 321 H N 5.497 124.380 119.070 -0.312 0.000 2.379 321 H HA 0.280 4.837 4.556 0.001 0.000 0.229 321 H C -2.327 172.743 175.328 -0.431 0.000 1.423 321 H CA -1.714 54.121 56.048 -0.356 0.000 1.375 321 H CB -0.204 29.475 29.762 -0.137 0.000 1.592 321 H HN 0.403 nan 8.280 nan 0.000 0.507 322 P HA 0.119 nan 4.420 nan 0.000 0.267 322 P C -0.261 176.726 177.300 -0.521 0.000 1.200 322 P CA -0.235 62.516 63.100 -0.582 0.000 0.772 322 P CB 1.084 32.334 31.700 -0.750 0.000 0.855 323 A N 3.037 125.653 122.820 -0.340 0.000 2.582 323 A HA 0.281 4.601 4.320 0.001 0.000 0.336 323 A C -0.089 177.445 177.584 -0.083 0.000 1.445 323 A CA -0.559 51.379 52.037 -0.165 0.000 0.997 323 A CB -0.785 18.251 19.000 0.060 0.000 1.148 323 A HN 0.633 nan 8.150 nan 0.000 0.514 324 H N 1.274 120.390 119.070 0.077 0.000 2.582 324 H HA 0.575 5.132 4.556 0.001 0.000 0.345 324 H C -0.021 175.428 175.328 0.201 0.000 1.104 324 H CA -0.015 56.168 56.048 0.226 0.000 1.390 324 H CB 1.293 31.291 29.762 0.393 0.000 1.461 324 H HN 0.723 nan 8.280 nan 0.000 0.551 325 M N 2.847 122.674 119.600 0.378 0.000 2.520 325 M HA 0.394 4.875 4.480 0.001 0.000 0.283 325 M C -1.755 174.614 176.300 0.116 0.000 1.237 325 M CA -0.707 54.657 55.300 0.107 0.000 0.885 325 M CB 2.060 34.551 32.600 -0.182 0.000 1.727 325 M HN 0.520 nan 8.290 nan 0.000 0.468 326 I N 2.402 123.001 120.570 0.048 0.000 2.396 326 I HA 0.284 4.455 4.170 0.001 0.000 0.292 326 I C -0.735 175.330 176.117 -0.087 0.000 0.999 326 I CA -0.101 61.247 61.300 0.080 0.000 1.310 326 I CB 1.139 39.177 38.000 0.064 0.000 1.404 326 I HN 0.516 nan 8.210 nan 0.000 0.496 327 D N 6.608 126.991 120.400 -0.028 0.000 2.358 327 D HA 0.349 4.990 4.640 0.001 0.000 0.253 327 D C -0.985 175.327 176.300 0.021 0.000 1.288 327 D CA -0.255 53.741 54.000 -0.006 0.000 0.950 327 D CB 0.894 41.720 40.800 0.043 0.000 1.197 327 D HN 0.491 nan 8.370 nan 0.000 0.550 328 Q N 0.482 120.263 119.800 -0.032 0.000 2.495 328 Q HA 0.596 4.936 4.340 0.001 0.000 0.287 328 Q C -1.177 174.638 176.000 -0.308 0.000 1.078 328 Q CA -1.077 54.641 55.803 -0.142 0.000 0.793 328 Q CB 2.460 31.111 28.738 -0.144 0.000 1.459 328 Q HN 0.224 nan 8.270 nan 0.000 0.422 329 S N -0.003 115.475 115.700 -0.371 0.000 2.519 329 S HA 0.451 4.922 4.470 0.001 0.000 0.309 329 S C -1.734 172.607 174.600 -0.432 0.000 1.100 329 S CA -0.555 57.465 58.200 -0.301 0.000 1.059 329 S CB 0.336 63.495 63.200 -0.068 0.000 1.008 329 S HN 0.585 nan 8.310 nan 0.000 0.478 330 H N 4.057 123.171 119.070 0.072 0.000 2.690 330 H HA 0.414 4.971 4.556 0.001 0.000 0.280 330 H C 0.449 175.827 175.328 0.085 0.000 1.138 330 H CA -0.792 55.296 56.048 0.068 0.000 1.241 330 H CB 0.635 30.424 29.762 0.046 0.000 1.394 330 H HN 0.494 nan 8.280 nan 0.000 0.489 331 N N 1.831 120.625 118.700 0.156 0.000 2.405 331 N HA -0.043 4.697 4.740 0.001 0.000 0.175 331 N C 0.897 176.515 175.510 0.181 0.000 1.051 331 N CA 0.611 53.763 53.050 0.169 0.000 0.899 331 N CB 0.956 39.542 38.487 0.165 0.000 1.000 331 N HN 0.487 nan 8.380 nan 0.000 0.451 332 V N -2.603 117.400 119.914 0.148 0.000 3.172 332 V HA 0.441 4.562 4.120 0.001 0.000 0.343 332 V C -0.009 176.140 176.094 0.092 0.000 1.429 332 V CA -0.311 62.053 62.300 0.107 0.000 1.149 332 V CB -0.183 31.684 31.823 0.074 0.000 1.106 332 V HN 0.137 nan 8.190 nan 0.000 0.526 333 T N -3.784 110.837 114.554 0.111 0.000 2.812 333 T HA 0.477 4.828 4.350 0.001 0.000 0.294 333 T C -1.253 173.492 174.700 0.075 0.000 1.159 333 T CA -0.310 61.840 62.100 0.082 0.000 1.008 333 T CB 2.125 71.036 68.868 0.070 0.000 1.289 333 T HN 0.154 nan 8.240 nan 0.000 0.514 334 D N 1.367 121.796 120.400 0.049 0.000 2.358 334 D HA 0.244 4.885 4.640 0.001 0.000 0.258 334 D C -1.507 174.753 176.300 -0.065 0.000 1.223 334 D CA -1.933 52.094 54.000 0.045 0.000 0.886 334 D CB 1.323 42.185 40.800 0.104 0.000 1.120 334 D HN 0.113 nan 8.370 nan 0.000 0.482 335 P HA -0.170 nan 4.420 nan 0.000 0.216 335 P C 1.649 178.723 177.300 -0.377 0.000 1.154 335 P CA 1.115 64.063 63.100 -0.254 0.000 0.865 335 P CB 0.238 31.920 31.700 -0.030 0.000 0.789 336 I N -0.630 119.788 120.570 -0.254 0.000 2.226 336 I HA -0.237 3.934 4.170 0.001 0.000 0.245 336 I C 2.264 178.103 176.117 -0.464 0.000 1.100 336 I CA 1.568 62.649 61.300 -0.365 0.000 1.374 336 I CB -0.690 37.047 38.000 -0.437 0.000 1.057 336 I HN 0.033 nan 8.210 nan 0.000 0.413 337 E N 0.425 120.356 120.200 -0.447 0.000 2.077 337 E HA -0.169 4.182 4.350 0.001 0.000 0.193 337 E C 2.360 178.822 176.600 -0.230 0.000 0.989 337 E CA 1.414 57.615 56.400 -0.332 0.000 0.800 337 E CB -0.077 29.525 29.700 -0.164 0.000 0.746 337 E HN 0.338 nan 8.360 nan 0.000 0.452 338 S N 0.899 116.442 115.700 -0.260 0.000 2.368 338 S HA -0.083 4.388 4.470 0.001 0.000 0.224 338 S C 2.018 176.493 174.600 -0.209 0.000 1.029 338 S CA 0.701 58.771 58.200 -0.216 0.000 0.988 338 S CB -0.121 62.915 63.200 -0.274 0.000 0.838 338 S HN 0.168 nan 8.310 nan 0.000 0.462 339 L N 0.898 121.922 121.223 -0.332 0.000 2.083 339 L HA -0.101 4.240 4.340 0.001 0.000 0.209 339 L C 2.160 178.955 176.870 -0.124 0.000 1.083 339 L CA 1.020 55.753 54.840 -0.179 0.000 0.752 339 L CB -0.505 41.436 42.059 -0.198 0.000 0.899 339 L HN 0.316 nan 8.230 nan 0.000 0.433 340 I N -0.000 120.469 120.570 -0.168 0.000 2.099 340 I HA -0.321 3.850 4.170 0.001 0.000 0.239 340 I C 2.071 178.142 176.117 -0.077 0.000 1.066 340 I CA 1.396 62.618 61.300 -0.130 0.000 1.324 340 I CB -0.344 37.552 38.000 -0.174 0.000 1.037 340 I HN 0.338 nan 8.210 nan 0.000 0.401 341 N N 0.293 118.950 118.700 -0.072 0.000 2.381 341 N HA -0.091 4.650 4.740 0.001 0.000 0.182 341 N C 1.916 177.418 175.510 -0.013 0.000 1.025 341 N CA 0.926 53.955 53.050 -0.035 0.000 0.888 341 N CB -0.131 38.341 38.487 -0.024 0.000 0.965 341 N HN 0.199 nan 8.380 nan 0.000 0.438 342 S N 0.317 116.014 115.700 -0.005 0.000 2.377 342 S HA 0.053 4.523 4.470 0.001 0.000 0.223 342 S C 2.038 176.640 174.600 0.003 0.000 1.030 342 S CA 0.823 59.040 58.200 0.028 0.000 0.970 342 S CB -0.164 63.081 63.200 0.073 0.000 0.830 342 S HN 0.465 nan 8.310 nan 0.000 0.473 343 A N 2.264 125.078 122.820 -0.009 0.000 1.933 343 A HA -0.134 4.187 4.320 0.001 0.000 0.218 343 A C 1.831 179.403 177.584 -0.020 0.000 1.175 343 A CA 1.503 53.535 52.037 -0.008 0.000 0.628 343 A CB -0.773 18.225 19.000 -0.003 0.000 0.814 343 A HN 0.609 nan 8.150 nan 0.000 0.444 344 N N -0.595 118.091 118.700 -0.024 0.000 2.142 344 N HA -0.142 4.599 4.740 0.001 0.000 0.186 344 N C 1.602 177.081 175.510 -0.051 0.000 1.023 344 N CA 1.091 54.123 53.050 -0.030 0.000 0.852 344 N CB -0.125 38.347 38.487 -0.025 0.000 0.998 344 N HN 0.355 nan 8.380 nan 0.000 0.424 345 E N 1.156 121.333 120.200 -0.039 0.000 2.110 345 E HA -0.120 4.230 4.350 0.001 0.000 0.193 345 E C 2.042 178.584 176.600 -0.097 0.000 0.988 345 E CA 0.679 57.057 56.400 -0.037 0.000 0.804 345 E CB -0.168 29.540 29.700 0.013 0.000 0.745 345 E HN 0.472 nan 8.360 nan 0.000 0.458 346 I N 0.405 120.890 120.570 -0.141 0.000 2.226 346 I HA -0.251 3.920 4.170 0.001 0.000 0.245 346 I C 2.596 178.419 176.117 -0.490 0.000 1.100 346 I CA 1.021 62.145 61.300 -0.294 0.000 1.374 346 I CB -0.199 37.608 38.000 -0.322 0.000 1.057 346 I HN -0.017 nan 8.210 nan 0.000 0.413 347 R N 0.163 120.490 120.500 -0.289 0.000 2.115 347 R HA -0.129 4.212 4.340 0.001 0.000 0.230 347 R C 2.439 178.572 176.300 -0.278 0.000 1.111 347 R CA 0.897 56.823 56.100 -0.291 0.000 0.976 347 R CB -0.239 30.017 30.300 -0.072 0.000 0.870 347 R HN 0.312 nan 8.270 nan 0.000 0.445 348 R N 0.494 120.870 120.500 -0.207 0.000 2.073 348 R HA -0.117 4.224 4.340 0.001 0.000 0.234 348 R C 2.085 178.279 176.300 -0.177 0.000 1.134 348 R CA 1.638 57.645 56.100 -0.154 0.000 0.952 348 R CB -0.213 30.032 30.300 -0.092 0.000 0.850 348 R HN 0.187 nan 8.270 nan 0.000 0.433 349 A N -0.037 122.653 122.820 -0.216 0.000 1.930 349 A HA -0.209 4.112 4.320 0.001 0.000 0.217 349 A C 1.988 179.327 177.584 -0.409 0.000 1.175 349 A CA 1.260 53.227 52.037 -0.117 0.000 0.627 349 A CB -0.811 18.198 19.000 0.013 0.000 0.815 349 A HN 0.621 nan 8.150 nan 0.000 0.443 350 Y N 0.777 120.366 120.300 -1.186 0.000 2.145 350 Y HA -0.088 4.463 4.550 0.001 0.000 0.286 350 Y C 2.623 178.212 175.900 -0.519 0.000 1.145 350 Y CA 1.222 58.570 58.100 -1.254 0.000 1.148 350 Y CB -0.743 36.690 38.460 -1.712 0.000 0.981 350 Y HN 0.293 nan 8.280 nan 0.000 0.507 351 A N 0.329 122.844 122.820 -0.508 0.000 1.908 351 A HA -0.274 4.047 4.320 0.001 0.000 0.218 351 A C 2.117 179.547 177.584 -0.257 0.000 1.181 351 A CA 2.088 53.889 52.037 -0.394 0.000 0.627 351 A CB -0.821 18.053 19.000 -0.209 0.000 0.818 351 A HN 0.697 nan 8.150 nan 0.000 0.445 352 Q N -0.748 118.981 119.800 -0.119 0.000 2.124 352 Q HA -0.057 4.284 4.340 0.001 0.000 0.202 352 Q C 2.367 178.502 176.000 0.225 0.000 0.977 352 Q CA 1.270 57.107 55.803 0.057 0.000 0.850 352 Q CB -0.386 28.429 28.738 0.129 0.000 0.901 352 Q HN 0.691 nan 8.270 nan 0.000 0.429 353 A N 0.847 123.744 122.820 0.129 0.000 1.972 353 A HA -0.126 4.195 4.320 0.001 0.000 0.219 353 A C 1.996 179.527 177.584 -0.089 0.000 1.169 353 A CA 0.956 52.992 52.037 -0.002 0.000 0.635 353 A CB -0.529 18.378 19.000 -0.155 0.000 0.810 353 A HN 0.292 nan 8.150 nan 0.000 0.446 354 L N -0.676 120.405 121.223 -0.236 0.000 2.275 354 L HA -0.076 4.265 4.340 0.001 0.000 0.215 354 L C 2.073 178.876 176.870 -0.111 0.000 1.119 354 L CA 0.534 55.235 54.840 -0.232 0.000 0.790 354 L CB -0.376 41.456 42.059 -0.379 0.000 0.919 354 L HN 0.370 nan 8.230 nan 0.000 0.443 355 L N -0.775 120.409 121.223 -0.064 0.000 2.395 355 L HA 0.012 4.353 4.340 0.001 0.000 0.218 355 L C 0.831 177.712 176.870 0.017 0.000 1.130 355 L CA -0.223 54.599 54.840 -0.029 0.000 0.826 355 L CB -0.154 41.886 42.059 -0.032 0.000 0.941 355 L HN -0.036 nan 8.230 nan 0.000 0.451 356 V N 1.392 121.342 119.914 0.060 0.000 2.557 356 V HA -0.139 3.982 4.120 0.001 0.000 0.301 356 V C 0.517 176.636 176.094 0.042 0.000 1.026 356 V CA 0.213 62.564 62.300 0.086 0.000 1.137 356 V CB 0.439 32.326 31.823 0.108 0.000 0.917 356 V HN 0.161 nan 8.190 nan 0.000 0.484 357 D N 5.618 126.048 120.400 0.050 0.000 2.416 357 D HA 0.074 4.715 4.640 0.001 0.000 0.240 357 D C 1.396 177.712 176.300 0.027 0.000 1.250 357 D CA -0.212 53.805 54.000 0.029 0.000 0.967 357 D CB 0.434 41.256 40.800 0.037 0.000 1.059 357 D HN 0.392 nan 8.370 nan 0.000 0.512 358 R N 2.671 123.177 120.500 0.009 0.000 2.120 358 R HA -0.109 4.232 4.340 0.001 0.000 0.234 358 R C 1.753 178.043 176.300 -0.017 0.000 1.123 358 R CA 1.018 57.118 56.100 0.000 0.000 0.975 358 R CB -0.488 29.807 30.300 -0.009 0.000 0.866 358 R HN 0.435 nan 8.270 nan 0.000 0.446 359 A N 1.522 124.324 122.820 -0.029 0.000 1.873 359 A HA -0.031 4.289 4.320 0.001 0.000 0.215 359 A C 2.447 179.973 177.584 -0.096 0.000 1.186 359 A CA 1.677 53.682 52.037 -0.054 0.000 0.616 359 A CB -0.560 18.410 19.000 -0.050 0.000 0.823 359 A HN 0.332 nan 8.150 nan 0.000 0.442 360 A N -0.599 122.163 122.820 -0.096 0.000 1.902 360 A HA -0.016 4.305 4.320 0.001 0.000 0.217 360 A C 2.134 179.596 177.584 -0.204 0.000 1.181 360 A CA 1.710 53.622 52.037 -0.208 0.000 0.623 360 A CB -0.648 18.316 19.000 -0.061 0.000 0.818 360 A HN 0.646 nan 8.150 nan 0.000 0.443 361 L N 1.001 122.231 121.223 0.011 0.000 2.012 361 L HA -0.177 4.164 4.340 0.001 0.000 0.210 361 L C 2.801 179.690 176.870 0.032 0.000 1.073 361 L CA 2.883 57.784 54.840 0.102 0.000 0.748 361 L CB -0.732 41.379 42.059 0.086 0.000 0.891 361 L HN 0.526 nan 8.230 nan 0.000 0.431 362 S N -1.194 114.490 115.700 -0.026 0.000 2.383 362 S HA -0.111 4.360 4.470 0.001 0.000 0.229 362 S C 2.094 176.659 174.600 -0.058 0.000 1.030 362 S CA 0.909 59.090 58.200 -0.033 0.000 1.002 362 S CB -1.579 61.596 63.200 -0.041 0.000 0.829 362 S HN 0.510 nan 8.310 nan 0.000 0.467 363 G N 0.242 108.955 108.800 -0.145 0.000 2.404 363 G HA2 -0.082 3.879 3.960 0.001 0.000 0.215 363 G HA3 -0.082 3.879 3.960 0.001 0.000 0.215 363 G C 1.179 176.002 174.900 -0.130 0.000 1.174 363 G CA 0.738 45.720 45.100 -0.196 0.000 0.780 363 G HN 0.571 nan 8.290 nan 0.000 0.537 364 Y N 1.032 121.331 120.300 -0.000 0.000 2.352 364 Y HA -0.030 4.520 4.550 0.001 0.000 0.292 364 Y C 3.064 178.964 175.900 -0.000 0.000 1.136 364 Y CA 0.989 59.090 58.100 0.001 0.000 1.227 364 Y CB -0.428 38.036 38.460 0.005 0.000 0.991 364 Y HN 0.293 nan 8.280 nan 0.000 0.545 365 Q N -0.294 119.585 119.800 0.132 0.000 2.083 365 Q HA -0.148 4.193 4.340 0.001 0.000 0.198 365 Q C 1.992 178.019 176.000 0.045 0.000 0.969 365 Q CA 1.163 57.010 55.803 0.074 0.000 0.838 365 Q CB -0.052 28.711 28.738 0.043 0.000 0.900 365 Q HN 0.369 nan 8.270 nan 0.000 0.436 366 E N 0.927 121.142 120.200 0.026 0.000 2.150 366 E HA -0.139 4.211 4.350 0.001 0.000 0.193 366 E C 0.980 177.594 176.600 0.023 0.000 0.985 366 E CA 0.949 57.357 56.400 0.013 0.000 0.814 366 E CB -0.032 29.664 29.700 -0.006 0.000 0.752 366 E HN 0.344 nan 8.360 nan 0.000 0.466 367 D N 0.164 120.589 120.400 0.042 0.000 2.328 367 D HA 0.012 4.652 4.640 0.001 0.000 0.221 367 D C -0.317 176.018 176.300 0.057 0.000 1.072 367 D CA -0.042 53.988 54.000 0.050 0.000 0.850 367 D CB -0.305 40.536 40.800 0.068 0.000 0.922 367 D HN 0.139 nan 8.370 nan 0.000 0.516 368 N N 1.390 120.124 118.700 0.057 0.000 2.727 368 N HA -0.190 4.551 4.740 0.001 0.000 0.249 368 N C -0.683 174.855 175.510 0.047 0.000 1.048 368 N CA 0.427 53.504 53.050 0.045 0.000 0.714 368 N CB -0.677 37.827 38.487 0.028 0.000 0.959 368 N HN 0.087 nan 8.380 nan 0.000 0.544 369 D N -0.054 120.392 120.400 0.078 0.000 2.564 369 D HA 0.460 5.101 4.640 0.001 0.000 0.226 369 D C 1.107 177.401 176.300 -0.009 0.000 1.149 369 D CA 0.253 54.280 54.000 0.044 0.000 0.994 369 D CB 0.101 40.969 40.800 0.114 0.000 1.029 369 D HN 0.376 nan 8.370 nan 0.000 0.517 370 A N 3.367 126.181 122.820 -0.010 0.000 1.917 370 A HA -0.193 4.128 4.320 0.001 0.000 0.219 370 A C 2.092 179.644 177.584 -0.054 0.000 1.182 370 A CA 1.095 53.122 52.037 -0.017 0.000 0.633 370 A CB -0.527 18.469 19.000 -0.008 0.000 0.819 370 A HN 0.602 nan 8.150 nan 0.000 0.448 371 L N -1.411 119.765 121.223 -0.079 0.000 2.017 371 L HA -0.172 4.169 4.340 0.001 0.000 0.208 371 L C 2.456 179.218 176.870 -0.180 0.000 1.073 371 L CA 1.769 56.548 54.840 -0.102 0.000 0.745 371 L CB -0.215 41.789 42.059 -0.091 0.000 0.894 371 L HN 0.280 nan 8.230 nan 0.000 0.432 372 M N -0.597 118.804 119.600 -0.332 0.000 2.296 372 M HA -0.070 4.410 4.480 0.001 0.000 0.265 372 M C 2.373 178.352 176.300 -0.535 0.000 1.064 372 M CA 1.451 56.369 55.300 -0.636 0.000 1.109 372 M CB -1.466 30.316 32.600 -1.363 0.000 1.396 372 M HN 0.470 nan 8.290 nan 0.000 0.430 373 A N -0.682 121.979 122.820 -0.264 0.000 1.873 373 A HA -0.147 4.174 4.320 0.001 0.000 0.215 373 A C 2.387 179.984 177.584 0.022 0.000 1.186 373 A CA 2.311 54.350 52.037 0.003 0.000 0.616 373 A CB -1.147 17.893 19.000 0.066 0.000 0.823 373 A HN 0.414 nan 8.150 nan 0.000 0.442 374 T N -0.958 113.595 114.554 -0.002 0.000 2.821 374 T HA -0.125 4.226 4.350 0.001 0.000 0.267 374 T C 1.905 176.629 174.700 0.040 0.000 1.046 374 T CA 1.826 63.953 62.100 0.045 0.000 1.139 374 T CB -0.220 68.668 68.868 0.034 0.000 0.871 374 T HN 0.598 nan 8.240 nan 0.000 0.454 375 E N 0.363 120.546 120.200 -0.028 0.000 2.204 375 E HA -0.061 4.290 4.350 0.001 0.000 0.194 375 E C 2.104 178.709 176.600 0.009 0.000 0.989 375 E CA 1.442 57.822 56.400 -0.033 0.000 0.824 375 E CB -0.568 29.080 29.700 -0.087 0.000 0.756 375 E HN 0.392 nan 8.360 nan 0.000 0.477 376 T N 0.536 115.110 114.554 0.034 0.000 2.821 376 T HA -0.078 4.273 4.350 0.001 0.000 0.267 376 T C 1.428 176.210 174.700 0.136 0.000 1.046 376 T CA 0.950 63.113 62.100 0.106 0.000 1.139 376 T CB -0.159 68.824 68.868 0.192 0.000 0.871 376 T HN 0.073 nan 8.240 nan 0.000 0.454 377 L N 0.932 122.259 121.223 0.172 0.000 2.072 377 L HA 0.078 4.418 4.340 0.001 0.000 0.205 377 L C 2.354 179.362 176.870 0.230 0.000 1.079 377 L CA 1.574 56.594 54.840 0.299 0.000 0.752 377 L CB -0.496 41.783 42.059 0.367 0.000 0.906 377 L HN -0.019 nan 8.230 nan 0.000 0.436 378 K N -0.302 120.179 120.400 0.136 0.000 2.147 378 K HA -0.106 4.215 4.320 0.001 0.000 0.205 378 K C 2.182 178.778 176.600 -0.006 0.000 1.049 378 K CA 1.062 57.374 56.287 0.042 0.000 0.936 378 K CB -0.280 32.209 32.500 -0.017 0.000 0.722 378 K HN 0.308 nan 8.250 nan 0.000 0.446 379 R N 0.180 120.684 120.500 0.007 0.000 2.120 379 R HA -0.072 4.269 4.340 0.001 0.000 0.234 379 R C 2.250 178.527 176.300 -0.038 0.000 1.123 379 R CA 1.237 57.325 56.100 -0.020 0.000 0.975 379 R CB -0.222 30.079 30.300 0.002 0.000 0.866 379 R HN 0.169 nan 8.270 nan 0.000 0.446 380 A N 0.084 122.904 122.820 -0.001 0.000 1.855 380 A HA -0.164 4.157 4.320 0.001 0.000 0.213 380 A C 1.924 179.422 177.584 -0.143 0.000 1.195 380 A CA 0.817 52.849 52.037 -0.007 0.000 0.610 380 A CB -0.695 18.395 19.000 0.150 0.000 0.837 380 A HN 0.409 nan 8.150 nan 0.000 0.444 381 Y N 0.580 120.589 120.300 -0.484 0.000 2.224 381 Y HA -0.148 4.403 4.550 0.001 0.000 0.289 381 Y C 2.333 178.017 175.900 -0.360 0.000 1.146 381 Y CA 1.942 59.612 58.100 -0.716 0.000 1.182 381 Y CB -0.281 37.568 38.460 -1.017 0.000 0.983 381 Y HN 0.235 nan 8.280 nan 0.000 0.524 382 R N -0.209 120.061 120.500 -0.384 0.000 2.235 382 R HA -0.010 4.331 4.340 0.001 0.000 0.213 382 R C 0.340 176.450 176.300 -0.317 0.000 1.059 382 R CA 0.860 56.733 56.100 -0.379 0.000 0.997 382 R CB -0.266 29.916 30.300 -0.198 0.000 0.884 382 R HN 0.135 nan 8.270 nan 0.000 0.462 383 T N 1.129 115.525 114.554 -0.263 0.000 2.853 383 T HA -0.044 4.307 4.350 0.001 0.000 0.298 383 T C -0.289 174.281 174.700 -0.217 0.000 0.978 383 T CA -0.100 61.880 62.100 -0.200 0.000 1.152 383 T CB 0.893 69.669 68.868 -0.152 0.000 0.914 383 T HN 0.018 nan 8.240 nan 0.000 0.539 384 D N 3.291 123.585 120.400 -0.177 0.000 2.374 384 D HA 0.102 4.743 4.640 0.001 0.000 0.240 384 D C 1.085 177.308 176.300 -0.128 0.000 1.229 384 D CA -0.726 53.180 54.000 -0.156 0.000 0.895 384 D CB 0.389 41.114 40.800 -0.125 0.000 1.046 384 D HN 0.336 nan 8.370 nan 0.000 0.498 385 V N 1.660 121.497 119.914 -0.127 0.000 3.577 385 V HA 0.133 4.254 4.120 0.001 0.000 0.294 385 V C 1.670 177.726 176.094 -0.063 0.000 1.317 385 V CA 0.071 62.309 62.300 -0.103 0.000 1.169 385 V CB -0.033 31.723 31.823 -0.112 0.000 1.011 385 V HN 0.298 nan 8.190 nan 0.000 0.426 386 E N 2.613 122.779 120.200 -0.057 0.000 2.130 386 E HA -0.113 4.238 4.350 0.001 0.000 0.196 386 E C -0.191 176.416 176.600 0.012 0.000 0.998 386 E CA 2.303 58.687 56.400 -0.028 0.000 0.806 386 E CB -1.402 28.279 29.700 -0.031 0.000 0.738 386 E HN 0.520 nan 8.360 nan 0.000 0.459 387 P HA -0.094 nan 4.420 nan 0.000 0.217 387 P C 1.210 178.647 177.300 0.228 0.000 1.150 387 P CA 1.219 64.394 63.100 0.123 0.000 0.832 387 P CB -0.020 31.749 31.700 0.115 0.000 0.787 388 I N -1.691 118.964 120.570 0.141 0.000 2.202 388 I HA -0.219 3.952 4.170 0.001 0.000 0.242 388 I C 1.945 178.129 176.117 0.112 0.000 1.091 388 I CA 1.189 62.596 61.300 0.178 0.000 1.368 388 I CB -0.679 37.343 38.000 0.038 0.000 1.058 388 I HN -0.100 nan 8.210 nan 0.000 0.410 389 L N 0.894 122.146 121.223 0.047 0.000 2.042 389 L HA -0.186 4.154 4.340 0.001 0.000 0.210 389 L C 2.714 179.603 176.870 0.030 0.000 1.076 389 L CA 2.184 57.040 54.840 0.027 0.000 0.749 389 L CB -1.261 40.798 42.059 -0.001 0.000 0.893 389 L HN 0.205 nan 8.230 nan 0.000 0.432 390 A N -0.796 122.044 122.820 0.032 0.000 1.902 390 A HA -0.237 4.083 4.320 0.001 0.000 0.217 390 A C 2.317 179.898 177.584 -0.004 0.000 1.181 390 A CA 1.757 53.804 52.037 0.015 0.000 0.623 390 A CB -0.525 18.485 19.000 0.018 0.000 0.818 390 A HN 0.418 nan 8.150 nan 0.000 0.443 391 E N 0.444 120.640 120.200 -0.007 0.000 2.106 391 E HA -0.019 4.332 4.350 0.001 0.000 0.192 391 E C 1.944 178.514 176.600 -0.050 0.000 0.984 391 E CA 1.578 57.917 56.400 -0.102 0.000 0.806 391 E CB -0.532 28.998 29.700 -0.283 0.000 0.750 391 E HN 0.433 nan 8.360 nan 0.000 0.458 392 A N 0.956 123.782 122.820 0.010 0.000 1.908 392 A HA -0.198 4.123 4.320 0.001 0.000 0.218 392 A C 2.271 179.868 177.584 0.022 0.000 1.181 392 A CA 1.742 53.795 52.037 0.026 0.000 0.627 392 A CB -0.502 18.527 19.000 0.049 0.000 0.818 392 A HN 0.236 nan 8.150 nan 0.000 0.445 393 R N -1.127 119.384 120.500 0.018 0.000 2.066 393 R HA -0.100 4.240 4.340 0.001 0.000 0.232 393 R C 2.563 178.863 176.300 0.001 0.000 1.131 393 R CA 1.370 57.481 56.100 0.017 0.000 0.955 393 R CB -0.377 29.930 30.300 0.012 0.000 0.851 393 R HN 0.572 nan 8.270 nan 0.000 0.432 394 R N 1.355 121.843 120.500 -0.019 0.000 2.096 394 R HA -0.171 4.169 4.340 0.001 0.000 0.240 394 R C 2.144 178.426 176.300 -0.029 0.000 1.139 394 R CA 1.778 57.859 56.100 -0.033 0.000 0.952 394 R CB -0.097 30.168 30.300 -0.060 0.000 0.854 394 R HN 0.177 nan 8.270 nan 0.000 0.436 395 R N -0.580 119.902 120.500 -0.030 0.000 2.152 395 R HA -0.067 4.274 4.340 0.001 0.000 0.232 395 R C 1.764 178.067 176.300 0.006 0.000 1.117 395 R CA 1.763 57.852 56.100 -0.019 0.000 0.981 395 R CB -0.131 30.158 30.300 -0.018 0.000 0.870 395 R HN 0.415 nan 8.270 nan 0.000 0.451 396 T N -3.548 111.018 114.554 0.020 0.000 3.145 396 T HA 0.312 4.663 4.350 0.001 0.000 0.255 396 T C 1.110 175.831 174.700 0.036 0.000 1.039 396 T CA 0.211 62.335 62.100 0.039 0.000 0.928 396 T CB 1.111 70.019 68.868 0.067 0.000 1.029 396 T HN 0.362 nan 8.240 nan 0.000 0.554 397 G N 0.084 108.895 108.800 0.018 0.000 2.141 397 G HA2 -0.032 3.929 3.960 0.001 0.000 0.231 397 G HA3 -0.032 3.929 3.960 0.001 0.000 0.231 397 G C 0.420 175.327 174.900 0.011 0.000 0.984 397 G CA -0.292 44.816 45.100 0.015 0.000 0.660 397 G HN 0.988 nan 8.290 nan 0.000 0.525 398 G N -0.513 108.293 108.800 0.011 0.000 2.531 398 G HA2 0.839 4.800 3.960 0.001 0.000 0.281 398 G HA3 0.839 4.800 3.960 0.001 0.000 0.281 398 G C 0.184 175.082 174.900 -0.004 0.000 1.382 398 G CA 0.185 45.290 45.100 0.009 0.000 1.045 398 G HN 1.521 nan 8.290 nan 0.000 0.533 399 A N -1.285 121.533 122.820 -0.002 0.000 2.317 399 A HA 0.567 4.888 4.320 0.001 0.000 0.327 399 A C 1.131 178.712 177.584 -0.004 0.000 1.178 399 A CA -0.507 51.527 52.037 -0.005 0.000 0.817 399 A CB 1.658 20.660 19.000 0.003 0.000 1.189 399 A HN 0.659 nan 8.150 nan 0.000 0.489 400 V N 1.269 121.178 119.914 -0.009 0.000 2.332 400 V HA -0.111 4.010 4.120 0.001 0.000 0.248 400 V C 0.812 176.905 176.094 -0.002 0.000 1.055 400 V CA 2.425 64.720 62.300 -0.008 0.000 1.038 400 V CB -0.291 31.524 31.823 -0.013 0.000 0.651 400 V HN 0.888 nan 8.190 nan 0.000 0.450 401 D N -1.512 118.889 120.400 0.001 0.000 2.408 401 D HA 0.240 4.880 4.640 0.001 0.000 0.261 401 D C -1.970 174.338 176.300 0.013 0.000 1.190 401 D CA -2.039 51.964 54.000 0.006 0.000 0.910 401 D CB 1.980 42.784 40.800 0.007 0.000 1.097 401 D HN 0.053 nan 8.370 nan 0.000 0.522 402 P HA -0.176 nan 4.420 nan 0.000 0.214 402 P C 1.667 178.991 177.300 0.040 0.000 1.163 402 P CA 0.721 63.827 63.100 0.010 0.000 0.889 402 P CB 0.487 32.177 31.700 -0.017 0.000 0.790 403 V N -0.143 119.789 119.914 0.030 0.000 2.343 403 V HA -0.249 3.871 4.120 0.001 0.000 0.247 403 V C 2.466 178.635 176.094 0.124 0.000 1.051 403 V CA 2.205 64.550 62.300 0.075 0.000 1.036 403 V CB -1.770 30.075 31.823 0.035 0.000 0.654 403 V HN 0.105 nan 8.190 nan 0.000 0.451 404 A N -0.255 122.607 122.820 0.070 0.000 1.902 404 A HA -0.230 4.091 4.320 0.001 0.000 0.217 404 A C 2.399 180.018 177.584 0.058 0.000 1.181 404 A CA 2.547 54.617 52.037 0.056 0.000 0.623 404 A CB -0.933 18.085 19.000 0.030 0.000 0.818 404 A HN 0.507 nan 8.150 nan 0.000 0.443 405 T N -1.640 112.951 114.554 0.062 0.000 2.777 405 T HA -0.135 4.215 4.350 0.001 0.000 0.266 405 T C 1.788 176.536 174.700 0.080 0.000 1.040 405 T CA 1.527 63.658 62.100 0.052 0.000 1.141 405 T CB -0.425 68.466 68.868 0.039 0.000 0.868 405 T HN 0.584 nan 8.240 nan 0.000 0.444 406 Y N 2.393 122.686 120.300 -0.012 0.000 2.128 406 Y HA -0.161 4.390 4.550 0.001 0.000 0.284 406 Y C 2.432 178.351 175.900 0.031 0.000 1.154 406 Y CA 1.331 59.427 58.100 -0.007 0.000 1.149 406 Y CB -0.210 38.234 38.460 -0.026 0.000 0.976 406 Y HN 0.007 nan 8.280 nan 0.000 0.505 407 R N -0.113 120.389 120.500 0.004 0.000 2.092 407 R HA -0.086 4.255 4.340 0.001 0.000 0.231 407 R C 2.465 178.715 176.300 -0.085 0.000 1.119 407 R CA 1.047 57.097 56.100 -0.085 0.000 0.970 407 R CB -0.607 29.713 30.300 0.032 0.000 0.864 407 R HN 0.443 nan 8.270 nan 0.000 0.440 408 A N 1.069 123.866 122.820 -0.037 0.000 2.015 408 A HA -0.136 4.185 4.320 0.001 0.000 0.219 408 A C 2.156 179.715 177.584 -0.041 0.000 1.163 408 A CA 1.637 53.656 52.037 -0.030 0.000 0.646 408 A CB -0.338 18.655 19.000 -0.011 0.000 0.806 408 A HN 0.416 nan 8.150 nan 0.000 0.448 409 S N -1.536 114.130 115.700 -0.057 0.000 2.461 409 S HA 0.299 4.769 4.470 0.001 0.000 0.228 409 S C 1.539 176.110 174.600 -0.048 0.000 1.005 409 S CA 1.161 59.340 58.200 -0.035 0.000 0.942 409 S CB -0.591 62.607 63.200 -0.004 0.000 0.776 409 S HN 1.911 nan 8.310 nan 0.000 0.514 410 G N 0.426 109.160 108.800 -0.109 0.000 2.160 410 G HA2 -0.384 3.577 3.960 0.001 0.000 0.251 410 G HA3 -0.384 3.577 3.960 0.001 0.000 0.251 410 G C 0.211 175.048 174.900 -0.105 0.000 1.008 410 G CA 0.474 45.511 45.100 -0.106 0.000 0.724 410 G HN 0.610 nan 8.290 nan 0.000 0.514 411 Y N 0.797 120.930 120.300 -0.279 0.000 2.128 411 Y HA -0.200 4.351 4.550 0.001 0.000 0.284 411 Y C 2.812 178.637 175.900 -0.126 0.000 1.154 411 Y CA 2.822 60.808 58.100 -0.191 0.000 1.149 411 Y CB -0.177 38.165 38.460 -0.196 0.000 0.976 411 Y HN 0.333 nan 8.280 nan 0.000 0.505 412 R N 0.903 121.351 120.500 -0.086 0.000 2.083 412 R HA -0.153 4.188 4.340 0.001 0.000 0.237 412 R C 2.278 178.527 176.300 -0.085 0.000 1.137 412 R CA 1.836 57.931 56.100 -0.009 0.000 0.951 412 R CB -1.258 29.086 30.300 0.074 0.000 0.851 412 R HN 0.421 nan 8.270 nan 0.000 0.434 413 A N 0.826 123.591 122.820 -0.091 0.000 1.933 413 A HA -0.173 4.148 4.320 0.001 0.000 0.218 413 A C 2.272 179.794 177.584 -0.104 0.000 1.175 413 A CA 1.631 53.623 52.037 -0.074 0.000 0.628 413 A CB -0.665 18.299 19.000 -0.060 0.000 0.814 413 A HN 0.456 nan 8.150 nan 0.000 0.444 414 R N 0.280 120.685 120.500 -0.158 0.000 2.080 414 R HA -0.139 4.202 4.340 0.001 0.000 0.236 414 R C 2.022 178.199 176.300 -0.205 0.000 1.137 414 R CA 2.477 58.468 56.100 -0.180 0.000 0.943 414 R CB -0.671 29.491 30.300 -0.230 0.000 0.846 414 R HN 0.505 nan 8.270 nan 0.000 0.431 415 V N -1.438 118.285 119.914 -0.318 0.000 2.759 415 V HA 0.054 4.174 4.120 0.001 0.000 0.256 415 V C 2.324 178.356 176.094 -0.105 0.000 1.080 415 V CA 1.438 63.598 62.300 -0.234 0.000 1.101 415 V CB -0.869 30.777 31.823 -0.296 0.000 0.698 415 V HN 0.406 nan 8.190 nan 0.000 0.477 416 A N 0.821 123.590 122.820 -0.084 0.000 1.930 416 A HA 0.153 4.474 4.320 0.001 0.000 0.217 416 A C 2.415 179.981 177.584 -0.030 0.000 1.175 416 A CA 2.003 54.019 52.037 -0.035 0.000 0.627 416 A CB -0.824 18.163 19.000 -0.023 0.000 0.815 416 A HN 0.909 nan 8.150 nan 0.000 0.443 417 A N -0.332 122.462 122.820 -0.043 0.000 2.016 417 A HA -0.004 4.317 4.320 0.001 0.000 0.217 417 A C 1.814 179.382 177.584 -0.027 0.000 1.162 417 A CA 1.230 53.249 52.037 -0.031 0.000 0.662 417 A CB -0.281 18.698 19.000 -0.035 0.000 0.812 417 A HN 0.625 nan 8.150 nan 0.000 0.450 418 E N -0.311 119.866 120.200 -0.038 0.000 2.230 418 E HA 0.000 4.351 4.350 0.001 0.000 0.192 418 E C 0.205 176.799 176.600 -0.009 0.000 0.987 418 E CA 0.250 56.635 56.400 -0.026 0.000 0.841 418 E CB 0.104 29.780 29.700 -0.039 0.000 0.783 418 E HN 0.450 nan 8.360 nan 0.000 0.481 419 R N 2.403 122.899 120.500 -0.007 0.000 2.295 419 R HA 0.269 4.610 4.340 0.001 0.000 0.324 419 R C -2.406 173.902 176.300 0.013 0.000 0.968 419 R CA -1.887 54.219 56.100 0.010 0.000 0.837 419 R CB 0.933 31.244 30.300 0.018 0.000 1.133 419 R HN -0.009 nan 8.270 nan 0.000 0.450 420 P HA 0.126 nan 4.420 nan 0.000 0.280 420 P C -0.848 176.465 177.300 0.021 0.000 1.244 420 P CA -0.359 62.752 63.100 0.017 0.000 0.784 420 P CB 1.360 33.071 31.700 0.018 0.000 0.913 421 A N 3.092 125.924 122.820 0.021 0.000 2.388 421 A HA 0.301 4.621 4.320 0.001 0.000 0.257 421 A C 0.658 178.254 177.584 0.021 0.000 1.095 421 A CA -0.246 51.805 52.037 0.024 0.000 0.791 421 A CB -0.160 18.856 19.000 0.026 0.000 1.029 421 A HN 0.531 nan 8.150 nan 0.000 0.489 422 S N 0.608 116.320 115.700 0.020 0.000 2.549 422 S HA 0.182 4.652 4.470 0.001 0.000 0.286 422 S C 1.198 175.807 174.600 0.015 0.000 1.314 422 S CA -0.397 57.813 58.200 0.016 0.000 1.062 422 S CB 0.742 63.949 63.200 0.011 0.000 0.865 422 S HN 0.563 nan 8.310 nan 0.000 0.498 423 V N 2.301 122.224 119.914 0.014 0.000 3.431 423 V HA 0.323 4.444 4.120 0.001 0.000 0.253 423 V C 0.789 176.890 176.094 0.012 0.000 1.184 423 V CA 1.002 63.310 62.300 0.014 0.000 1.104 423 V CB -0.302 31.530 31.823 0.014 0.000 0.799 423 V HN 0.851 nan 8.190 nan 0.000 0.462 424 A N 0.000 122.826 122.820 0.010 0.000 2.254 424 A HA 0.000 4.321 4.320 0.001 0.000 0.244 424 A CA 0.000 52.042 52.037 0.008 0.000 0.836 424 A CB 0.000 19.006 19.000 0.010 0.000 0.831 424 A HN 0.000 nan 8.150 nan 0.000 0.486