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 2iz1_1_C DATA FIRST_RESID 2 DATA SEQUENCE AQANFGVVGM AVMGKNLALN VESRGYTVAI YNRTTSKTEE VFKEHQDKNL DATA SEQUENCE VFTKTLEEFV GSLEKPRRIM LMVQAGAATD ATIKSLLPLL DIGDILIDGG DATA SEQUENCE NTHFPDTMRR NAELADSGIN FIGTGVSGGE KGALLGPSMM PGGQKEAYDL DATA SEQUENCE VAPIFEQIAA KAPQDGKPCV AYMGANGAGH YVKMVHNGIE YGDMQLIAES DATA SEQUENCE YDLLKRILGL SNAEIQAIFE EWNEGELDSY LIEITKEVLK RKDDEGEGYI DATA SEQUENCE VDKILDKAGN KGTGKWTSES ALDLGVPLPL ITESVFARYI STYKDERVKA DATA SEQUENCE SKVLSGPALD FSGDKKEVIE KIRKALYFSK IMSYAQGFAQ LRKASEEFDW DATA SEQUENCE DLPYGTIAQI WRAGCIIRAE FLQNITDAFD KDSELENLLL DDYFVDITKR DATA SEQUENCE YQEAVRDVVS LAVQAGTPIP TFTSAISYYD SYRSENLPAN LIQAQRDYFG DATA SEQUENCE AHTYERTDKA GIFHYDWYT 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.579 177.584 -0.009 0.000 1.274 2 A CA 0.000 52.021 52.037 -0.027 0.000 0.836 2 A CB 0.000 18.987 19.000 -0.021 0.000 0.831 3 Q N 0.388 120.188 119.800 0.000 0.000 1.234 3 Q HA 0.358 4.706 4.340 0.014 0.000 0.120 3 Q C 0.080 176.104 176.000 0.040 0.000 0.651 3 Q CA 0.399 56.215 55.803 0.022 0.000 0.586 3 Q CB -0.726 28.026 28.738 0.023 0.000 1.027 3 Q HN 2.234 nan 8.270 nan 0.000 0.318 4 A N 0.696 123.532 122.820 0.026 0.000 2.365 4 A HA 0.691 5.020 4.320 0.014 0.000 0.318 4 A C -0.455 177.164 177.584 0.058 0.000 1.091 4 A CA -0.509 51.561 52.037 0.055 0.000 0.763 4 A CB 1.126 20.145 19.000 0.031 0.000 1.248 4 A HN 0.326 nan 8.150 nan 0.000 0.442 5 N N -0.102 118.676 118.700 0.129 0.000 2.424 5 N HA 0.239 4.988 4.740 0.014 0.000 0.178 5 N C -0.696 174.908 175.510 0.157 0.000 1.060 5 N CA 0.718 53.856 53.050 0.145 0.000 0.901 5 N CB 0.349 38.997 38.487 0.269 0.000 0.979 5 N HN 0.580 nan 8.380 nan 0.000 0.451 6 F N -0.487 119.436 119.950 -0.045 0.000 2.665 6 F HA 0.558 5.093 4.527 0.014 0.000 0.308 6 F C -1.221 174.578 175.800 -0.001 0.000 1.112 6 F CA -0.911 57.051 58.000 -0.062 0.000 0.972 6 F CB 1.447 40.383 39.000 -0.106 0.000 1.295 6 F HN -0.173 nan 8.300 nan 0.000 0.440 7 G N 2.718 111.217 108.800 -0.502 0.000 2.566 7 G HA2 0.593 4.562 3.960 0.014 0.000 0.311 7 G HA3 0.593 4.562 3.960 0.014 0.000 0.311 7 G C -2.188 172.714 174.900 0.004 0.000 1.322 7 G CA -0.809 44.226 45.100 -0.108 0.000 0.969 7 G HN 1.081 nan 8.290 nan 0.000 0.490 8 V N 2.025 122.123 119.914 0.307 0.000 2.604 8 V HA 0.781 4.910 4.120 0.014 0.000 0.305 8 V C -0.953 175.192 176.094 0.085 0.000 1.043 8 V CA -0.678 61.742 62.300 0.200 0.000 0.888 8 V CB 1.748 33.695 31.823 0.206 0.000 0.995 8 V HN 0.560 nan 8.190 nan 0.000 0.429 9 V N 5.799 125.708 119.914 -0.008 0.000 2.398 9 V HA 0.918 5.046 4.120 0.014 0.000 0.286 9 V C 0.658 176.754 176.094 0.004 0.000 1.026 9 V CA 0.458 62.707 62.300 -0.085 0.000 0.868 9 V CB 0.714 32.472 31.823 -0.108 0.000 0.982 9 V HN 1.780 nan 8.190 nan 0.000 0.443 10 G N 5.637 114.430 108.800 -0.011 0.000 2.992 10 G HA2 -0.090 3.878 3.960 0.014 0.000 0.677 10 G HA3 -0.090 3.878 3.960 0.014 0.000 0.677 10 G C -0.454 174.442 174.900 -0.005 0.000 1.191 10 G CA -0.748 44.349 45.100 -0.005 0.000 1.178 10 G HN 0.409 nan 8.290 nan 0.000 0.506 11 M N 1.450 121.031 119.600 -0.032 0.000 2.549 11 M HA 0.365 4.854 4.480 0.014 0.000 0.273 11 M C 1.449 177.741 176.300 -0.013 0.000 1.213 11 M CA 0.090 55.377 55.300 -0.021 0.000 0.976 11 M CB -0.119 32.456 32.600 -0.042 0.000 1.457 11 M HN 0.956 nan 8.290 nan 0.000 0.485 12 A N 0.352 123.167 122.820 -0.007 0.000 2.325 12 A HA 0.283 4.612 4.320 0.014 0.000 0.260 12 A C 1.616 179.205 177.584 0.008 0.000 1.133 12 A CA -0.211 51.826 52.037 0.000 0.000 0.801 12 A CB 0.298 19.300 19.000 0.003 0.000 1.092 12 A HN 0.190 nan 8.150 nan 0.000 0.504 13 V N 0.210 120.130 119.914 0.010 0.000 2.287 13 V HA -0.283 3.846 4.120 0.014 0.000 0.248 13 V C 2.549 178.651 176.094 0.014 0.000 1.053 13 V CA 2.203 64.511 62.300 0.013 0.000 1.027 13 V CB -0.886 30.944 31.823 0.013 0.000 0.646 13 V HN 0.791 nan 8.190 nan 0.000 0.447 14 M N 0.437 120.046 119.600 0.015 0.000 2.080 14 M HA -0.137 4.351 4.480 0.014 0.000 0.260 14 M C 2.327 178.642 176.300 0.026 0.000 1.068 14 M CA 2.341 57.651 55.300 0.017 0.000 1.109 14 M CB -1.779 30.834 32.600 0.021 0.000 1.342 14 M HN 0.478 nan 8.290 nan 0.000 0.405 15 G N -0.362 108.458 108.800 0.032 0.000 2.394 15 G HA2 -0.216 3.753 3.960 0.014 0.000 0.215 15 G HA3 -0.216 3.753 3.960 0.014 0.000 0.215 15 G C 1.714 176.641 174.900 0.045 0.000 1.165 15 G CA 0.872 46.002 45.100 0.049 0.000 0.784 15 G HN 0.459 nan 8.290 nan 0.000 0.535 16 K N 0.413 120.827 120.400 0.023 0.000 2.009 16 K HA -0.176 4.153 4.320 0.014 0.000 0.210 16 K C 2.323 178.915 176.600 -0.013 0.000 1.049 16 K CA 1.624 57.913 56.287 0.004 0.000 0.929 16 K CB -0.210 32.290 32.500 0.000 0.000 0.714 16 K HN 0.149 nan 8.250 nan 0.000 0.440 17 N N 1.175 119.873 118.700 -0.003 0.000 2.120 17 N HA -0.175 4.574 4.740 0.014 0.000 0.188 17 N C 1.726 177.235 175.510 -0.002 0.000 1.024 17 N CA 1.043 54.087 53.050 -0.010 0.000 0.852 17 N CB -0.403 38.083 38.487 -0.002 0.000 1.003 17 N HN 0.191 nan 8.380 nan 0.000 0.424 18 L N 0.824 122.058 121.223 0.019 0.000 2.012 18 L HA -0.121 4.227 4.340 0.014 0.000 0.210 18 L C 2.000 178.909 176.870 0.065 0.000 1.073 18 L CA 1.932 56.793 54.840 0.035 0.000 0.748 18 L CB -0.852 41.248 42.059 0.068 0.000 0.891 18 L HN 0.148 nan 8.230 nan 0.000 0.431 19 A N -0.698 122.177 122.820 0.092 0.000 1.902 19 A HA -0.164 4.165 4.320 0.014 0.000 0.217 19 A C 2.148 179.766 177.584 0.056 0.000 1.181 19 A CA 1.881 53.990 52.037 0.121 0.000 0.623 19 A CB -0.881 18.193 19.000 0.123 0.000 0.818 19 A HN 0.442 nan 8.150 nan 0.000 0.443 20 L N 0.481 121.697 121.223 -0.011 0.000 2.046 20 L HA -0.152 4.196 4.340 0.014 0.000 0.208 20 L C 2.278 179.143 176.870 -0.008 0.000 1.077 20 L CA 1.866 56.677 54.840 -0.050 0.000 0.747 20 L CB -1.534 40.457 42.059 -0.114 0.000 0.896 20 L HN 0.476 nan 8.230 nan 0.000 0.432 21 N N -0.003 118.695 118.700 -0.003 0.000 2.043 21 N HA -0.168 4.580 4.740 0.014 0.000 0.193 21 N C 1.899 177.418 175.510 0.015 0.000 1.037 21 N CA 1.796 54.846 53.050 -0.001 0.000 0.851 21 N CB -0.216 38.261 38.487 -0.017 0.000 1.027 21 N HN 0.136 nan 8.380 nan 0.000 0.422 22 V N 1.713 121.632 119.914 0.008 0.000 2.287 22 V HA -0.176 3.953 4.120 0.014 0.000 0.248 22 V C 2.538 178.711 176.094 0.131 0.000 1.053 22 V CA 1.875 64.177 62.300 0.004 0.000 1.027 22 V CB -0.668 31.081 31.823 -0.124 0.000 0.646 22 V HN 0.422 nan 8.190 nan 0.000 0.447 23 E N 0.983 121.248 120.200 0.110 0.000 2.097 23 E HA -0.243 4.115 4.350 0.014 0.000 0.196 23 E C 2.427 179.073 176.600 0.077 0.000 1.000 23 E CA 1.988 58.456 56.400 0.114 0.000 0.804 23 E CB -0.222 29.525 29.700 0.078 0.000 0.740 23 E HN 0.754 nan 8.360 nan 0.000 0.454 24 S N 0.223 115.954 115.700 0.050 0.000 2.419 24 S HA -0.070 4.409 4.470 0.014 0.000 0.233 24 S C 1.609 176.220 174.600 0.018 0.000 1.016 24 S CA 0.463 58.679 58.200 0.027 0.000 0.974 24 S CB -0.183 63.027 63.200 0.018 0.000 0.786 24 S HN 0.128 nan 8.310 nan 0.000 0.492 25 R N 1.417 121.947 120.500 0.050 0.000 2.319 25 R HA 0.289 4.637 4.340 0.014 0.000 0.204 25 R C 1.440 177.656 176.300 -0.140 0.000 0.954 25 R CA 0.469 56.584 56.100 0.025 0.000 1.066 25 R CB -1.149 29.237 30.300 0.143 0.000 0.991 25 R HN 0.690 nan 8.270 nan 0.000 0.486 26 G N 0.264 108.978 108.800 -0.144 0.000 2.145 26 G HA2 -0.243 3.726 3.960 0.014 0.000 0.176 26 G HA3 -0.243 3.726 3.960 0.014 0.000 0.176 26 G C -0.623 174.035 174.900 -0.404 0.000 1.013 26 G CA -0.498 44.440 45.100 -0.271 0.000 0.689 26 G HN 0.253 nan 8.290 nan 0.000 0.506 27 Y N 0.028 120.332 120.300 0.007 0.000 2.528 27 Y HA 0.698 5.257 4.550 0.016 0.000 0.335 27 Y C 0.903 176.834 175.900 0.051 0.000 1.093 27 Y CA -0.620 57.494 58.100 0.024 0.000 1.134 27 Y CB 1.797 40.267 38.460 0.016 0.000 1.253 27 Y HN 0.048 nan 8.280 nan 0.000 0.478 28 T N 2.633 117.331 114.554 0.241 0.000 2.767 28 T HA 0.487 4.846 4.350 0.014 0.000 0.288 28 T C -0.745 174.081 174.700 0.210 0.000 0.963 28 T CA -0.550 61.659 62.100 0.182 0.000 1.019 28 T CB 0.297 69.245 68.868 0.132 0.000 0.923 28 T HN 0.301 nan 8.240 nan 0.000 0.468 29 V N 2.992 123.030 119.914 0.207 0.000 2.384 29 V HA 0.651 4.780 4.120 0.014 0.000 0.287 29 V C 0.414 176.642 176.094 0.224 0.000 1.020 29 V CA -1.225 61.219 62.300 0.240 0.000 0.850 29 V CB 1.244 33.222 31.823 0.259 0.000 0.987 29 V HN 1.060 nan 8.190 nan 0.000 0.436 30 A N 6.797 129.742 122.820 0.208 0.000 2.366 30 A HA 0.794 5.122 4.320 0.014 0.000 0.272 30 A C -0.190 177.659 177.584 0.442 0.000 1.135 30 A CA -0.255 51.939 52.037 0.263 0.000 0.804 30 A CB 0.079 19.128 19.000 0.081 0.000 1.064 30 A HN 0.997 nan 8.150 nan 0.000 0.499 31 I N -0.245 120.586 120.570 0.434 0.000 2.569 31 I HA 0.810 4.989 4.170 0.014 0.000 0.296 31 I C -1.030 175.282 176.117 0.324 0.000 1.028 31 I CA -0.925 60.580 61.300 0.343 0.000 1.082 31 I CB 1.905 40.038 38.000 0.222 0.000 1.264 31 I HN 0.634 nan 8.210 nan 0.000 0.429 32 Y N 4.318 124.581 120.300 -0.061 0.000 2.513 32 Y HA 0.611 5.169 4.550 0.013 0.000 0.340 32 Y C -1.641 174.161 175.900 -0.165 0.000 1.055 32 Y CA -0.688 57.292 58.100 -0.200 0.000 1.020 32 Y CB 2.257 40.291 38.460 -0.709 0.000 1.301 32 Y HN 0.862 nan 8.280 nan 0.000 0.453 33 N N 2.844 120.983 118.700 -0.934 0.000 2.308 33 N HA 0.320 5.069 4.740 0.014 0.000 0.283 33 N C 0.213 175.214 175.510 -0.847 0.000 1.105 33 N CA -0.716 51.955 53.050 -0.631 0.000 0.840 33 N CB 1.871 40.187 38.487 -0.285 0.000 1.633 33 N HN 0.771 nan 8.380 nan 0.000 0.476 34 R N 0.906 121.168 120.500 -0.397 0.000 2.094 34 R HA -0.040 4.308 4.340 0.014 0.000 0.239 34 R C -0.253 175.948 176.300 -0.165 0.000 1.137 34 R CA 1.473 57.462 56.100 -0.185 0.000 0.943 34 R CB -0.492 29.792 30.300 -0.027 0.000 0.850 34 R HN 0.584 nan 8.270 nan 0.000 0.433 35 T N 1.129 115.605 114.554 -0.131 0.000 2.738 35 T HA 0.073 4.431 4.350 0.014 0.000 0.294 35 T C 0.660 175.298 174.700 -0.103 0.000 0.914 35 T CA -0.097 61.951 62.100 -0.086 0.000 1.052 35 T CB 1.551 70.387 68.868 -0.054 0.000 0.897 35 T HN 0.304 nan 8.240 nan 0.000 0.522 36 T N 2.461 116.973 114.554 -0.070 0.000 2.788 36 T HA -0.174 4.185 4.350 0.014 0.000 0.268 36 T C 2.460 177.166 174.700 0.009 0.000 1.044 36 T CA 1.574 63.664 62.100 -0.017 0.000 1.139 36 T CB -0.250 68.647 68.868 0.049 0.000 0.867 36 T HN 0.765 nan 8.240 nan 0.000 0.454 37 S N 1.907 117.604 115.700 -0.005 0.000 2.400 37 S HA -0.164 4.315 4.470 0.014 0.000 0.232 37 S C 1.895 176.465 174.600 -0.050 0.000 1.025 37 S CA 0.967 59.160 58.200 -0.012 0.000 0.993 37 S CB -0.379 62.818 63.200 -0.005 0.000 0.808 37 S HN 0.515 nan 8.310 nan 0.000 0.478 38 K N 0.763 121.127 120.400 -0.061 0.000 2.057 38 K HA -0.028 4.301 4.320 0.014 0.000 0.206 38 K C 2.417 178.956 176.600 -0.102 0.000 1.050 38 K CA 1.689 57.935 56.287 -0.068 0.000 0.935 38 K CB -0.689 31.774 32.500 -0.062 0.000 0.715 38 K HN 0.459 nan 8.250 nan 0.000 0.439 39 T N 1.272 115.743 114.554 -0.139 0.000 2.746 39 T HA -0.194 4.165 4.350 0.014 0.000 0.267 39 T C 1.802 176.200 174.700 -0.503 0.000 1.039 39 T CA 1.497 63.471 62.100 -0.209 0.000 1.142 39 T CB -0.155 68.660 68.868 -0.088 0.000 0.866 39 T HN 0.385 nan 8.240 nan 0.000 0.444 40 E N 1.048 120.920 120.200 -0.547 0.000 2.077 40 E HA -0.214 4.145 4.350 0.014 0.000 0.193 40 E C 2.348 178.819 176.600 -0.214 0.000 0.989 40 E CA 1.169 57.208 56.400 -0.603 0.000 0.800 40 E CB -0.087 29.500 29.700 -0.188 0.000 0.746 40 E HN 0.554 nan 8.360 nan 0.000 0.452 41 E N 0.422 120.551 120.200 -0.118 0.000 2.070 41 E HA -0.203 4.156 4.350 0.014 0.000 0.197 41 E C 2.134 178.725 176.600 -0.016 0.000 1.004 41 E CA 1.846 58.217 56.400 -0.048 0.000 0.805 41 E CB -0.082 29.598 29.700 -0.033 0.000 0.744 41 E HN 0.247 nan 8.360 nan 0.000 0.451 42 V N 1.085 120.998 119.914 -0.003 0.000 2.295 42 V HA -0.239 3.890 4.120 0.014 0.000 0.246 42 V C 2.327 178.516 176.094 0.158 0.000 1.049 42 V CA 2.072 64.443 62.300 0.118 0.000 1.024 42 V CB -0.890 30.966 31.823 0.055 0.000 0.648 42 V HN 0.329 nan 8.190 nan 0.000 0.447 43 F N 1.432 121.295 119.950 -0.145 0.000 2.069 43 F HA -0.213 4.322 4.527 0.014 0.000 0.298 43 F C 2.382 178.157 175.800 -0.042 0.000 1.113 43 F CA 2.023 59.949 58.000 -0.122 0.000 1.214 43 F CB -0.276 38.499 39.000 -0.376 0.000 0.978 43 F HN 0.006 nan 8.300 nan 0.000 0.474 44 K N -0.182 120.154 120.400 -0.107 0.000 2.211 44 K HA -0.170 4.159 4.320 0.014 0.000 0.203 44 K C 2.000 178.476 176.600 -0.207 0.000 1.050 44 K CA 1.362 57.538 56.287 -0.184 0.000 0.945 44 K CB -0.288 32.204 32.500 -0.014 0.000 0.732 44 K HN 0.423 nan 8.250 nan 0.000 0.451 45 E N 0.286 120.370 120.200 -0.193 0.000 2.435 45 E HA -0.080 4.279 4.350 0.014 0.000 0.195 45 E C -0.078 176.157 176.600 -0.608 0.000 1.029 45 E CA 0.459 56.645 56.400 -0.357 0.000 0.865 45 E CB 0.414 29.892 29.700 -0.369 0.000 0.833 45 E HN 0.366 nan 8.360 nan 0.000 0.510 46 H N 0.498 119.487 119.070 -0.134 0.000 2.535 46 H HA 0.073 4.638 4.556 0.015 0.000 0.232 46 H C 0.679 175.907 175.328 -0.167 0.000 1.405 46 H CA -0.052 55.930 56.048 -0.109 0.000 1.224 46 H CB 0.574 30.303 29.762 -0.055 0.000 1.763 46 H HN 0.295 nan 8.280 nan 0.000 0.529 47 Q N 0.447 120.152 119.800 -0.159 0.000 2.291 47 Q HA -0.107 4.242 4.340 0.014 0.000 0.205 47 Q C 0.630 176.577 176.000 -0.087 0.000 0.970 47 Q CA 1.461 57.139 55.803 -0.209 0.000 0.876 47 Q CB 0.004 28.603 28.738 -0.231 0.000 0.935 47 Q HN 0.284 nan 8.270 nan 0.000 0.455 48 D N 0.221 120.599 120.400 -0.036 0.000 2.328 48 D HA 0.028 4.677 4.640 0.014 0.000 0.226 48 D C -0.201 176.113 176.300 0.024 0.000 1.066 48 D CA 0.140 54.137 54.000 -0.004 0.000 0.861 48 D CB 0.190 40.989 40.800 -0.002 0.000 0.912 48 D HN -0.014 nan 8.370 nan 0.000 0.521 49 K N 0.880 121.304 120.400 0.039 0.000 2.203 49 K HA 0.272 4.601 4.320 0.014 0.000 0.251 49 K C 0.057 176.699 176.600 0.070 0.000 0.944 49 K CA -0.658 55.663 56.287 0.056 0.000 0.829 49 K CB 1.045 33.584 32.500 0.065 0.000 1.125 49 K HN -0.059 nan 8.250 nan 0.000 0.430 50 N N 3.052 121.797 118.700 0.076 0.000 2.971 50 N HA 0.088 4.837 4.740 0.014 0.000 0.294 50 N C -0.446 175.144 175.510 0.133 0.000 1.210 50 N CA 0.146 53.256 53.050 0.099 0.000 1.157 50 N CB -0.012 38.526 38.487 0.085 0.000 1.450 50 N HN 0.247 nan 8.380 nan 0.000 0.527 51 L N 0.764 122.084 121.223 0.161 0.000 2.317 51 L HA 0.469 4.817 4.340 0.014 0.000 0.281 51 L C 0.083 177.119 176.870 0.276 0.000 1.024 51 L CA -1.040 53.925 54.840 0.208 0.000 0.810 51 L CB 2.028 44.209 42.059 0.203 0.000 1.240 51 L HN -0.095 nan 8.230 nan 0.000 0.427 52 V N 3.491 123.564 119.914 0.266 0.000 2.311 52 V HA 0.182 4.311 4.120 0.014 0.000 0.275 52 V C -0.125 176.173 176.094 0.340 0.000 1.022 52 V CA -0.462 61.999 62.300 0.269 0.000 0.830 52 V CB 0.984 32.916 31.823 0.182 0.000 1.012 52 V HN 0.400 nan 8.190 nan 0.000 0.452 53 F N 6.020 126.049 119.950 0.131 0.000 2.502 53 F HA 0.475 5.010 4.527 0.014 0.000 0.371 53 F C 0.664 176.474 175.800 0.017 0.000 1.083 53 F CA -0.473 57.537 58.000 0.017 0.000 1.174 53 F CB 0.417 39.217 39.000 -0.333 0.000 1.096 53 F HN 0.592 nan 8.300 nan 0.000 0.545 54 T N 3.507 118.250 114.554 0.315 0.000 2.863 54 T HA 0.449 4.808 4.350 0.014 0.000 0.285 54 T C 0.298 175.068 174.700 0.116 0.000 1.009 54 T CA -0.840 61.337 62.100 0.128 0.000 0.989 54 T CB 2.004 71.077 68.868 0.341 0.000 1.004 54 T HN 0.713 nan 8.240 nan 0.000 0.455 55 K N 0.499 120.880 120.400 -0.032 0.000 2.367 55 K HA 0.232 4.561 4.320 0.014 0.000 0.195 55 K C 0.666 177.391 176.600 0.208 0.000 1.060 55 K CA -0.226 56.074 56.287 0.022 0.000 1.022 55 K CB 0.332 32.739 32.500 -0.155 0.000 0.894 55 K HN 0.732 nan 8.250 nan 0.000 0.540 56 T N -2.391 112.299 114.554 0.227 0.000 2.916 56 T HA 0.407 4.765 4.350 0.014 0.000 0.292 56 T C 0.954 175.689 174.700 0.060 0.000 1.064 56 T CA -0.968 61.250 62.100 0.197 0.000 1.011 56 T CB 1.627 70.536 68.868 0.068 0.000 1.152 56 T HN -0.037 nan 8.240 nan 0.000 0.510 57 L N 0.252 121.394 121.223 -0.135 0.000 2.093 57 L HA -0.023 4.325 4.340 0.014 0.000 0.208 57 L C 2.719 179.558 176.870 -0.051 0.000 1.085 57 L CA 1.376 56.045 54.840 -0.286 0.000 0.755 57 L CB -0.524 41.381 42.059 -0.256 0.000 0.904 57 L HN 0.736 nan 8.230 nan 0.000 0.435 58 E N 0.165 120.351 120.200 -0.023 0.000 2.077 58 E HA -0.228 4.130 4.350 0.014 0.000 0.193 58 E C 2.099 178.700 176.600 0.002 0.000 0.989 58 E CA 1.158 57.553 56.400 -0.010 0.000 0.800 58 E CB -0.070 29.625 29.700 -0.010 0.000 0.746 58 E HN 0.403 nan 8.360 nan 0.000 0.452 59 E N -0.584 119.631 120.200 0.025 0.000 2.110 59 E HA -0.185 4.173 4.350 0.014 0.000 0.193 59 E C 1.777 178.417 176.600 0.068 0.000 0.988 59 E CA 0.848 57.269 56.400 0.034 0.000 0.804 59 E CB -0.156 29.567 29.700 0.039 0.000 0.745 59 E HN 0.221 nan 8.360 nan 0.000 0.458 60 F N 0.868 120.782 119.950 -0.060 0.000 2.084 60 F HA -0.184 4.352 4.527 0.014 0.000 0.296 60 F C 2.094 177.853 175.800 -0.068 0.000 1.111 60 F CA 1.070 59.036 58.000 -0.056 0.000 1.224 60 F CB -0.436 38.475 39.000 -0.148 0.000 0.991 60 F HN -0.220 nan 8.300 nan 0.000 0.471 61 V N 0.666 120.483 119.914 -0.161 0.000 2.343 61 V HA -0.224 3.905 4.120 0.014 0.000 0.247 61 V C 2.768 178.747 176.094 -0.192 0.000 1.051 61 V CA 1.961 64.118 62.300 -0.237 0.000 1.036 61 V CB -1.710 30.064 31.823 -0.082 0.000 0.654 61 V HN 0.573 nan 8.190 nan 0.000 0.451 62 G N 0.014 108.747 108.800 -0.111 0.000 2.448 62 G HA2 -0.268 3.701 3.960 0.014 0.000 0.219 62 G HA3 -0.268 3.701 3.960 0.014 0.000 0.219 62 G C 1.768 176.614 174.900 -0.090 0.000 1.127 62 G CA 1.286 46.337 45.100 -0.081 0.000 0.766 62 G HN 0.663 nan 8.290 nan 0.000 0.552 63 S N -0.602 115.028 115.700 -0.116 0.000 2.561 63 S HA 0.273 4.752 4.470 0.014 0.000 0.225 63 S C 0.799 175.327 174.600 -0.121 0.000 0.977 63 S CA -0.204 57.939 58.200 -0.094 0.000 0.926 63 S CB -0.173 62.986 63.200 -0.068 0.000 0.769 63 S HN 0.160 nan 8.310 nan 0.000 0.533 64 L N 2.681 123.795 121.223 -0.181 0.000 2.309 64 L HA 0.431 4.780 4.340 0.014 0.000 0.282 64 L C 0.180 176.984 176.870 -0.110 0.000 1.036 64 L CA -0.863 53.871 54.840 -0.176 0.000 0.806 64 L CB 1.394 43.278 42.059 -0.291 0.000 1.220 64 L HN 0.349 nan 8.230 nan 0.000 0.429 65 E N 2.557 122.714 120.200 -0.072 0.000 2.373 65 E HA 0.229 4.588 4.350 0.014 0.000 0.267 65 E C -1.020 175.547 176.600 -0.056 0.000 1.032 65 E CA -0.708 55.663 56.400 -0.047 0.000 0.889 65 E CB 0.848 30.537 29.700 -0.019 0.000 0.984 65 E HN 0.371 nan 8.360 nan 0.000 0.425 66 K N 2.682 123.054 120.400 -0.047 0.000 2.185 66 K HA 0.240 4.568 4.320 0.014 0.000 0.271 66 K C -1.977 174.601 176.600 -0.036 0.000 1.013 66 K CA -1.669 54.591 56.287 -0.046 0.000 0.943 66 K CB 0.390 32.866 32.500 -0.039 0.000 0.998 66 K HN 0.523 nan 8.250 nan 0.000 0.468 67 P HA 0.094 nan 4.420 nan 0.000 0.271 67 P C -0.955 176.310 177.300 -0.059 0.000 1.216 67 P CA -0.170 62.903 63.100 -0.045 0.000 0.771 67 P CB 0.661 32.336 31.700 -0.041 0.000 0.864 68 R N 2.685 123.142 120.500 -0.072 0.000 2.442 68 R HA 0.247 4.595 4.340 0.014 0.000 0.291 68 R C 0.461 176.692 176.300 -0.116 0.000 1.069 68 R CA -0.143 55.891 56.100 -0.109 0.000 1.022 68 R CB 0.596 30.817 30.300 -0.132 0.000 0.976 68 R HN 0.400 nan 8.270 nan 0.000 0.443 69 R N 3.697 124.104 120.500 -0.155 0.000 2.275 69 R HA 0.372 4.720 4.340 0.014 0.000 0.326 69 R C -0.553 175.477 176.300 -0.451 0.000 0.973 69 R CA -0.305 55.679 56.100 -0.193 0.000 0.854 69 R CB 0.901 31.183 30.300 -0.030 0.000 1.156 69 R HN 0.453 nan 8.270 nan 0.000 0.487 70 I N 3.508 123.891 120.570 -0.310 0.000 2.418 70 I HA 0.316 4.495 4.170 0.014 0.000 0.287 70 I C -0.437 175.585 176.117 -0.159 0.000 1.008 70 I CA -0.607 60.546 61.300 -0.245 0.000 1.104 70 I CB 1.998 39.996 38.000 -0.004 0.000 1.264 70 I HN 0.431 nan 8.210 nan 0.000 0.438 71 M N 7.567 127.053 119.600 -0.189 0.000 2.101 71 M HA 0.499 4.988 4.480 0.014 0.000 0.340 71 M C -1.365 174.981 176.300 0.077 0.000 1.057 71 M CA -0.462 54.851 55.300 0.022 0.000 0.984 71 M CB 0.872 33.593 32.600 0.200 0.000 1.560 71 M HN 0.434 nan 8.290 nan 0.000 0.435 72 L N 6.383 127.659 121.223 0.089 0.000 2.290 72 L HA 0.384 4.732 4.340 0.014 0.000 0.284 72 L C -0.251 176.677 176.870 0.097 0.000 1.078 72 L CA -0.283 54.613 54.840 0.093 0.000 0.815 72 L CB 0.840 42.971 42.059 0.119 0.000 1.162 72 L HN 0.739 nan 8.230 nan 0.000 0.435 73 M N 5.451 125.099 119.600 0.080 0.000 3.062 73 M HA 0.262 4.751 4.480 0.014 0.000 0.270 73 M C -0.459 175.875 176.300 0.058 0.000 1.270 73 M CA -0.243 55.102 55.300 0.074 0.000 0.702 73 M CB 0.758 33.400 32.600 0.070 0.000 1.398 73 M HN 0.409 nan 8.290 nan 0.000 0.490 74 V N -1.630 118.322 119.914 0.064 0.000 3.103 74 V HA 0.562 4.690 4.120 0.014 0.000 0.318 74 V C 0.228 176.355 176.094 0.055 0.000 1.114 74 V CA -1.039 61.292 62.300 0.051 0.000 1.020 74 V CB 1.727 33.582 31.823 0.053 0.000 1.085 74 V HN 0.613 nan 8.190 nan 0.000 0.446 75 Q N 1.173 121.000 119.800 0.044 0.000 2.368 75 Q HA 0.240 4.589 4.340 0.014 0.000 0.331 75 Q C 0.461 176.494 176.000 0.056 0.000 1.086 75 Q CA 0.492 56.321 55.803 0.044 0.000 1.031 75 Q CB 0.546 29.304 28.738 0.034 0.000 1.125 75 Q HN 1.263 nan 8.270 nan 0.000 0.389 76 A N 3.652 126.511 122.820 0.065 0.000 2.466 76 A HA 0.497 4.826 4.320 0.014 0.000 0.238 76 A C 0.904 178.531 177.584 0.071 0.000 1.074 76 A CA 0.550 52.635 52.037 0.080 0.000 0.774 76 A CB -0.217 18.851 19.000 0.114 0.000 1.015 76 A HN 1.259 nan 8.150 nan 0.000 0.498 77 G N 0.314 109.153 108.800 0.064 0.000 2.496 77 G HA2 0.143 4.112 3.960 0.014 0.000 0.243 77 G HA3 0.143 4.112 3.960 0.014 0.000 0.243 77 G C 1.273 176.193 174.900 0.032 0.000 1.176 77 G CA 1.232 46.359 45.100 0.046 0.000 0.940 77 G HN 2.067 nan 8.290 nan 0.000 0.573 78 A N -0.235 122.601 122.820 0.026 0.000 1.978 78 A HA 0.285 4.614 4.320 0.014 0.000 0.220 78 A C 2.957 180.554 177.584 0.022 0.000 1.170 78 A CA 3.612 55.660 52.037 0.018 0.000 0.636 78 A CB -0.993 18.016 19.000 0.015 0.000 0.810 78 A HN 2.327 nan 8.150 nan 0.000 0.448 79 A N -1.231 121.607 122.820 0.030 0.000 1.930 79 A HA -0.045 4.283 4.320 0.014 0.000 0.217 79 A C 2.286 179.895 177.584 0.042 0.000 1.175 79 A CA 2.159 54.216 52.037 0.033 0.000 0.627 79 A CB -1.045 17.976 19.000 0.034 0.000 0.815 79 A HN 0.416 nan 8.150 nan 0.000 0.443 80 T N 0.096 114.680 114.554 0.050 0.000 2.737 80 T HA -0.107 4.251 4.350 0.014 0.000 0.265 80 T C 1.542 176.275 174.700 0.055 0.000 1.038 80 T CA 1.363 63.505 62.100 0.070 0.000 1.144 80 T CB -0.357 68.566 68.868 0.091 0.000 0.866 80 T HN 0.461 nan 8.240 nan 0.000 0.434 81 D N 1.373 121.789 120.400 0.027 0.000 2.117 81 D HA -0.059 4.589 4.640 0.014 0.000 0.197 81 D C 2.376 178.679 176.300 0.005 0.000 0.987 81 D CA 1.291 55.290 54.000 -0.001 0.000 0.829 81 D CB -0.248 40.542 40.800 -0.017 0.000 0.961 81 D HN 0.390 nan 8.370 nan 0.000 0.460 82 A N 0.581 123.410 122.820 0.014 0.000 1.933 82 A HA -0.146 4.182 4.320 0.014 0.000 0.218 82 A C 2.391 179.988 177.584 0.022 0.000 1.175 82 A CA 1.910 53.956 52.037 0.015 0.000 0.628 82 A CB -0.790 18.222 19.000 0.019 0.000 0.814 82 A HN 0.181 nan 8.150 nan 0.000 0.444 83 T N 0.368 114.943 114.554 0.035 0.000 2.708 83 T HA -0.101 4.258 4.350 0.014 0.000 0.266 83 T C 1.797 176.518 174.700 0.035 0.000 1.037 83 T CA 1.521 63.645 62.100 0.040 0.000 1.146 83 T CB -0.410 68.492 68.868 0.057 0.000 0.865 83 T HN 0.428 nan 8.240 nan 0.000 0.435 84 I N 0.944 121.540 120.570 0.043 0.000 2.127 84 I HA -0.216 3.962 4.170 0.014 0.000 0.241 84 I C 2.645 178.770 176.117 0.013 0.000 1.075 84 I CA 1.438 62.762 61.300 0.039 0.000 1.334 84 I CB -0.330 37.679 38.000 0.015 0.000 1.040 84 I HN 0.192 nan 8.210 nan 0.000 0.405 85 K N 0.982 121.382 120.400 0.000 0.000 2.063 85 K HA -0.236 4.093 4.320 0.014 0.000 0.208 85 K C 2.260 178.858 176.600 -0.002 0.000 1.048 85 K CA 2.101 58.384 56.287 -0.006 0.000 0.928 85 K CB -0.126 32.370 32.500 -0.008 0.000 0.713 85 K HN 0.415 nan 8.250 nan 0.000 0.442 86 S N 0.269 115.970 115.700 0.001 0.000 2.428 86 S HA -0.076 4.403 4.470 0.014 0.000 0.230 86 S C 1.946 176.537 174.600 -0.014 0.000 1.014 86 S CA 0.697 58.894 58.200 -0.005 0.000 0.957 86 S CB -0.253 62.946 63.200 -0.002 0.000 0.784 86 S HN 0.331 nan 8.310 nan 0.000 0.499 87 L N 0.336 121.555 121.223 -0.006 0.000 2.209 87 L HA 0.208 4.557 4.340 0.014 0.000 0.207 87 L C 2.595 179.470 176.870 0.007 0.000 1.094 87 L CA 0.462 55.304 54.840 0.003 0.000 0.790 87 L CB -0.409 41.669 42.059 0.031 0.000 0.932 87 L HN 0.311 nan 8.230 nan 0.000 0.447 88 L N 0.725 121.951 121.223 0.006 0.000 1.997 88 L HA -0.208 4.141 4.340 0.014 0.000 0.216 88 L C -0.211 176.658 176.870 -0.003 0.000 1.074 88 L CA 1.999 56.841 54.840 0.003 0.000 0.763 88 L CB -1.308 40.749 42.059 -0.004 0.000 0.890 88 L HN 0.225 nan 8.230 nan 0.000 0.434 89 P HA -0.168 nan 4.420 nan 0.000 0.219 89 P C 1.589 178.883 177.300 -0.010 0.000 1.146 89 P CA 1.370 64.465 63.100 -0.008 0.000 0.808 89 P CB 0.041 31.735 31.700 -0.008 0.000 0.779 90 L N -2.600 118.616 121.223 -0.011 0.000 2.567 90 L HA 0.112 4.460 4.340 0.014 0.000 0.225 90 L C 1.118 177.976 176.870 -0.019 0.000 1.119 90 L CA -0.066 54.764 54.840 -0.016 0.000 0.871 90 L CB -0.278 41.770 42.059 -0.017 0.000 1.036 90 L HN -0.048 nan 8.230 nan 0.000 0.459 91 L N -0.634 120.581 121.223 -0.013 0.000 2.416 91 L HA 0.339 4.688 4.340 0.014 0.000 0.262 91 L C -0.382 176.480 176.870 -0.015 0.000 1.093 91 L CA -0.485 54.347 54.840 -0.014 0.000 0.801 91 L CB 0.909 42.967 42.059 -0.001 0.000 1.191 91 L HN -0.039 nan 8.230 nan 0.000 0.459 92 D N 0.658 121.048 120.400 -0.018 0.000 2.269 92 D HA 0.410 5.059 4.640 0.014 0.000 0.244 92 D C -0.113 176.182 176.300 -0.009 0.000 0.992 92 D CA -0.527 53.464 54.000 -0.015 0.000 0.894 92 D CB 2.483 43.271 40.800 -0.021 0.000 1.248 92 D HN 0.248 nan 8.370 nan 0.000 0.468 93 I N 1.008 121.574 120.570 -0.007 0.000 2.826 93 I HA -0.010 4.168 4.170 0.014 0.000 0.295 93 I C 1.658 177.772 176.117 -0.005 0.000 1.213 93 I CA 1.161 62.459 61.300 -0.003 0.000 1.436 93 I CB 0.074 38.072 38.000 -0.003 0.000 1.348 93 I HN 0.805 nan 8.210 nan 0.000 0.570 94 G N 3.808 112.608 108.800 -0.000 0.000 2.232 94 G HA2 -0.216 3.753 3.960 0.014 0.000 0.226 94 G HA3 -0.216 3.753 3.960 0.014 0.000 0.226 94 G C 0.094 174.988 174.900 -0.009 0.000 0.996 94 G CA -0.307 44.790 45.100 -0.005 0.000 0.626 94 G HN 0.583 nan 8.290 nan 0.000 0.509 95 D N 0.428 120.822 120.400 -0.009 0.000 2.378 95 D HA 0.462 5.111 4.640 0.014 0.000 0.238 95 D C 0.789 177.090 176.300 0.001 0.000 1.180 95 D CA 0.505 54.495 54.000 -0.016 0.000 0.895 95 D CB 0.655 41.443 40.800 -0.020 0.000 1.192 95 D HN 0.388 nan 8.370 nan 0.000 0.438 96 I N 1.720 122.281 120.570 -0.015 0.000 2.411 96 I HA 0.203 4.381 4.170 0.014 0.000 0.284 96 I C -0.342 175.773 176.117 -0.004 0.000 1.012 96 I CA -0.525 60.772 61.300 -0.005 0.000 1.119 96 I CB 1.027 39.005 38.000 -0.037 0.000 1.261 96 I HN -0.002 nan 8.210 nan 0.000 0.448 97 L N 6.974 128.231 121.223 0.057 0.000 2.312 97 L HA 0.585 4.933 4.340 0.014 0.000 0.281 97 L C -0.454 176.363 176.870 -0.089 0.000 1.070 97 L CA -0.541 54.341 54.840 0.070 0.000 0.805 97 L CB 1.473 43.696 42.059 0.274 0.000 1.174 97 L HN 0.482 nan 8.230 nan 0.000 0.434 98 I N 1.815 122.325 120.570 -0.100 0.000 2.498 98 I HA 0.254 4.432 4.170 0.014 0.000 0.290 98 I C -0.916 175.130 176.117 -0.117 0.000 1.032 98 I CA -0.502 60.704 61.300 -0.156 0.000 1.073 98 I CB 2.213 40.261 38.000 0.080 0.000 1.251 98 I HN 0.448 nan 8.210 nan 0.000 0.426 99 D N 4.263 124.529 120.400 -0.224 0.000 2.414 99 D HA 0.380 5.028 4.640 0.014 0.000 0.232 99 D C 0.758 177.128 176.300 0.116 0.000 1.070 99 D CA -0.406 53.611 54.000 0.028 0.000 0.839 99 D CB 1.743 42.648 40.800 0.175 0.000 1.079 99 D HN 0.664 nan 8.370 nan 0.000 0.521 100 G N 2.576 111.453 108.800 0.129 0.000 3.141 100 G HA2 0.284 4.253 3.960 0.014 0.000 0.218 100 G HA3 0.284 4.253 3.960 0.014 0.000 0.218 100 G C 0.794 175.789 174.900 0.158 0.000 1.170 100 G CA -0.080 45.092 45.100 0.120 0.000 0.769 100 G HN 0.556 nan 8.290 nan 0.000 0.546 101 G N 0.117 109.031 108.800 0.190 0.000 2.634 101 G HA2 0.233 4.202 3.960 0.014 0.000 0.255 101 G HA3 0.233 4.202 3.960 0.014 0.000 0.255 101 G C -0.056 174.943 174.900 0.166 0.000 1.205 101 G CA -0.626 44.562 45.100 0.146 0.000 0.884 101 G HN 0.159 nan 8.290 nan 0.000 0.549 102 N N -0.005 118.767 118.700 0.121 0.000 2.895 102 N HA 0.170 4.919 4.740 0.014 0.000 0.277 102 N C -0.051 175.570 175.510 0.185 0.000 1.185 102 N CA -0.044 53.097 53.050 0.151 0.000 1.106 102 N CB -0.153 38.401 38.487 0.111 0.000 1.422 102 N HN 0.250 nan 8.380 nan 0.000 0.521 103 T N 1.475 115.954 114.554 -0.124 0.000 2.882 103 T HA 0.074 4.433 4.350 0.014 0.000 0.287 103 T C -0.170 174.374 174.700 -0.260 0.000 0.992 103 T CA -0.420 61.516 62.100 -0.273 0.000 1.076 103 T CB 0.533 69.008 68.868 -0.655 0.000 0.961 103 T HN 0.386 nan 8.240 nan 0.000 0.490 104 H N 3.045 121.756 119.070 -0.598 0.000 2.975 104 H HA 0.051 4.590 4.556 -0.028 0.000 0.303 104 H C 1.125 176.143 175.328 -0.517 0.000 1.023 104 H CA -0.594 54.841 56.048 -1.022 0.000 1.473 104 H CB 0.305 29.205 29.762 -1.437 0.000 1.498 104 H HN 0.752 nan 8.280 nan 0.000 0.549 105 F N 5.443 125.155 119.950 -0.396 0.000 2.192 105 F HA -0.035 4.524 4.527 0.055 0.000 0.301 105 F C -1.384 174.270 175.800 -0.244 0.000 1.079 105 F CA -0.104 57.779 58.000 -0.195 0.000 1.303 105 F CB -1.681 37.314 39.000 -0.009 0.000 1.024 105 F HN 0.453 nan 8.300 nan 0.000 0.494 106 P HA -0.119 nan 4.420 nan 0.000 0.218 106 P C 1.031 178.090 177.300 -0.402 0.000 1.149 106 P CA 1.794 64.398 63.100 -0.826 0.000 0.817 106 P CB -0.073 31.064 31.700 -0.937 0.000 0.785 107 D N -1.087 119.095 120.400 -0.363 0.000 2.117 107 D HA -0.110 4.538 4.640 0.014 0.000 0.197 107 D C 1.813 178.065 176.300 -0.079 0.000 0.987 107 D CA 1.459 55.348 54.000 -0.185 0.000 0.829 107 D CB -0.980 39.731 40.800 -0.148 0.000 0.961 107 D HN 0.151 nan 8.370 nan 0.000 0.460 108 T N 1.160 115.725 114.554 0.019 0.000 2.746 108 T HA -0.114 4.244 4.350 0.014 0.000 0.267 108 T C 2.178 176.968 174.700 0.150 0.000 1.039 108 T CA 0.967 63.210 62.100 0.238 0.000 1.142 108 T CB -0.141 68.972 68.868 0.410 0.000 0.866 108 T HN 0.155 nan 8.240 nan 0.000 0.444 109 M N 0.565 120.209 119.600 0.073 0.000 2.117 109 M HA -0.099 4.389 4.480 0.014 0.000 0.262 109 M C 2.558 178.859 176.300 0.002 0.000 1.065 109 M CA 1.578 56.919 55.300 0.068 0.000 1.114 109 M CB -0.428 32.203 32.600 0.052 0.000 1.361 109 M HN 0.136 nan 8.290 nan 0.000 0.408 110 R N 0.773 121.236 120.500 -0.063 0.000 2.073 110 R HA -0.145 4.203 4.340 0.014 0.000 0.234 110 R C 2.185 178.406 176.300 -0.132 0.000 1.134 110 R CA 1.748 57.796 56.100 -0.087 0.000 0.952 110 R CB -0.125 30.111 30.300 -0.106 0.000 0.850 110 R HN 0.255 nan 8.270 nan 0.000 0.433 111 R N 0.481 120.849 120.500 -0.220 0.000 2.081 111 R HA -0.109 4.239 4.340 0.014 0.000 0.235 111 R C 2.411 178.436 176.300 -0.458 0.000 1.131 111 R CA 1.628 57.455 56.100 -0.454 0.000 0.960 111 R CB -0.593 29.202 30.300 -0.842 0.000 0.856 111 R HN 0.418 nan 8.270 nan 0.000 0.436 112 N N 0.849 119.406 118.700 -0.237 0.000 2.104 112 N HA -0.176 4.572 4.740 0.014 0.000 0.190 112 N C 1.585 177.100 175.510 0.009 0.000 1.024 112 N CA 1.761 54.827 53.050 0.025 0.000 0.853 112 N CB 0.012 38.631 38.487 0.220 0.000 1.008 112 N HN 0.242 nan 8.380 nan 0.000 0.424 113 A N 1.051 123.866 122.820 -0.009 0.000 1.873 113 A HA -0.099 4.230 4.320 0.014 0.000 0.215 113 A C 2.093 179.663 177.584 -0.024 0.000 1.186 113 A CA 1.284 53.321 52.037 0.001 0.000 0.616 113 A CB -0.515 18.488 19.000 0.006 0.000 0.823 113 A HN 0.502 nan 8.150 nan 0.000 0.442 114 E N -0.035 120.128 120.200 -0.062 0.000 2.051 114 E HA -0.169 4.190 4.350 0.014 0.000 0.192 114 E C 1.929 178.494 176.600 -0.058 0.000 0.991 114 E CA 1.327 57.687 56.400 -0.066 0.000 0.799 114 E CB -0.344 29.299 29.700 -0.094 0.000 0.748 114 E HN 0.603 nan 8.360 nan 0.000 0.449 115 L N 0.623 121.798 121.223 -0.081 0.000 2.141 115 L HA -0.105 4.244 4.340 0.014 0.000 0.209 115 L C 2.562 179.435 176.870 0.005 0.000 1.094 115 L CA 0.681 55.495 54.840 -0.042 0.000 0.763 115 L CB -0.401 41.628 42.059 -0.050 0.000 0.908 115 L HN 0.133 nan 8.230 nan 0.000 0.437 116 A N -0.083 122.747 122.820 0.016 0.000 1.940 116 A HA -0.240 4.089 4.320 0.014 0.000 0.219 116 A C 1.883 179.478 177.584 0.018 0.000 1.176 116 A CA 1.945 54.001 52.037 0.031 0.000 0.631 116 A CB -0.470 18.556 19.000 0.042 0.000 0.814 116 A HN 0.352 nan 8.150 nan 0.000 0.446 117 D N -0.133 120.271 120.400 0.006 0.000 2.263 117 D HA -0.036 4.612 4.640 0.014 0.000 0.208 117 D C 1.460 177.761 176.300 0.001 0.000 0.971 117 D CA 1.292 55.294 54.000 0.002 0.000 0.867 117 D CB -0.104 40.694 40.800 -0.004 0.000 0.929 117 D HN 0.387 nan 8.370 nan 0.000 0.492 118 S N -0.938 114.762 115.700 0.000 0.000 2.577 118 S HA 0.300 4.779 4.470 0.014 0.000 0.219 118 S C 1.450 176.054 174.600 0.007 0.000 0.962 118 S CA 0.332 58.532 58.200 0.001 0.000 0.921 118 S CB 0.895 64.093 63.200 -0.003 0.000 0.789 118 S HN 0.379 nan 8.310 nan 0.000 0.497 119 G N 2.034 110.841 108.800 0.012 0.000 2.160 119 G HA2 -0.214 3.754 3.960 0.014 0.000 0.251 119 G HA3 -0.214 3.754 3.960 0.014 0.000 0.251 119 G C -0.103 174.811 174.900 0.023 0.000 1.008 119 G CA -0.176 44.934 45.100 0.016 0.000 0.724 119 G HN 0.443 nan 8.290 nan 0.000 0.514 120 I N 0.980 121.569 120.570 0.032 0.000 2.336 120 I HA 0.293 4.472 4.170 0.014 0.000 0.292 120 I C 0.307 176.476 176.117 0.086 0.000 0.991 120 I CA -1.335 59.995 61.300 0.051 0.000 1.227 120 I CB 0.913 38.944 38.000 0.052 0.000 1.366 120 I HN 0.031 nan 8.210 nan 0.000 0.466 121 N N 5.319 124.073 118.700 0.090 0.000 2.503 121 N HA 0.283 5.032 4.740 0.014 0.000 0.267 121 N C -1.083 174.556 175.510 0.215 0.000 1.214 121 N CA 0.056 53.179 53.050 0.121 0.000 0.959 121 N CB 1.651 40.179 38.487 0.069 0.000 1.142 121 N HN 0.393 nan 8.380 nan 0.000 0.455 122 F N 2.266 122.241 119.950 0.041 0.000 2.612 122 F HA 0.379 4.914 4.527 0.014 0.000 0.332 122 F C -1.174 174.663 175.800 0.061 0.000 1.167 122 F CA -0.896 57.135 58.000 0.051 0.000 0.970 122 F CB 0.754 39.783 39.000 0.048 0.000 1.234 122 F HN 0.209 nan 8.300 nan 0.000 0.453 123 I N 5.355 125.697 120.570 -0.380 0.000 2.337 123 I HA 0.313 4.492 4.170 0.014 0.000 0.285 123 I C 0.691 176.524 176.117 -0.473 0.000 1.041 123 I CA -0.484 60.659 61.300 -0.262 0.000 1.199 123 I CB 0.718 38.682 38.000 -0.061 0.000 1.370 123 I HN 0.711 nan 8.210 nan 0.000 0.470 124 G N 5.078 113.636 108.800 -0.404 0.000 2.351 124 G HA2 0.445 4.414 3.960 0.014 0.000 0.287 124 G HA3 0.445 4.414 3.960 0.014 0.000 0.287 124 G C -0.161 174.346 174.900 -0.656 0.000 1.159 124 G CA -0.045 44.819 45.100 -0.394 0.000 0.929 124 G HN 0.529 nan 8.290 nan 0.000 0.435 125 T N 1.729 115.917 114.554 -0.611 0.000 2.809 125 T HA 0.549 4.908 4.350 0.014 0.000 0.284 125 T C 0.694 175.193 174.700 -0.334 0.000 0.992 125 T CA -0.254 61.612 62.100 -0.391 0.000 0.957 125 T CB 1.777 70.609 68.868 -0.060 0.000 0.942 125 T HN 0.671 nan 8.240 nan 0.000 0.439 126 G N 1.657 110.301 108.800 -0.259 0.000 2.398 126 G HA2 0.471 4.440 3.960 0.014 0.000 0.246 126 G HA3 0.471 4.440 3.960 0.014 0.000 0.246 126 G C -0.559 174.301 174.900 -0.066 0.000 1.289 126 G CA -0.256 44.828 45.100 -0.027 0.000 0.869 126 G HN 0.664 nan 8.290 nan 0.000 0.543 127 V N 2.244 122.137 119.914 -0.035 0.000 2.409 127 V HA 0.402 4.530 4.120 0.014 0.000 0.290 127 V C 0.081 176.127 176.094 -0.081 0.000 1.017 127 V CA -0.704 61.549 62.300 -0.079 0.000 0.841 127 V CB 1.272 33.055 31.823 -0.066 0.000 1.003 127 V HN 0.786 nan 8.190 nan 0.000 0.426 128 S N 2.284 117.910 115.700 -0.123 0.000 2.722 128 S HA 0.829 5.308 4.470 0.014 0.000 0.292 128 S C 1.064 175.616 174.600 -0.080 0.000 1.135 128 S CA 0.278 58.390 58.200 -0.146 0.000 1.003 128 S CB 1.608 64.621 63.200 -0.311 0.000 1.067 128 S HN 1.573 nan 8.310 nan 0.000 0.546 129 G N -0.159 108.614 108.800 -0.045 0.000 2.176 129 G HA2 0.139 4.107 3.960 0.014 0.000 0.232 129 G HA3 0.139 4.107 3.960 0.014 0.000 0.232 129 G C 0.787 175.684 174.900 -0.006 0.000 0.986 129 G CA 0.110 45.197 45.100 -0.021 0.000 0.643 129 G HN 1.760 nan 8.290 nan 0.000 0.522 130 G N -0.056 108.742 108.800 -0.003 0.000 2.598 130 G HA2 -0.225 3.743 3.960 0.014 0.000 0.269 130 G HA3 -0.225 3.743 3.960 0.014 0.000 0.269 130 G C 0.700 175.600 174.900 0.000 0.000 1.289 130 G CA 1.011 46.114 45.100 0.005 0.000 0.926 130 G HN 0.952 nan 8.290 nan 0.000 0.567 131 E N -0.061 120.143 120.200 0.006 0.000 2.077 131 E HA -0.138 4.221 4.350 0.014 0.000 0.193 131 E C 2.466 179.067 176.600 0.002 0.000 0.989 131 E CA 1.411 57.814 56.400 0.005 0.000 0.800 131 E CB -0.075 29.631 29.700 0.009 0.000 0.746 131 E HN 0.506 nan 8.360 nan 0.000 0.452 132 K N 0.428 120.831 120.400 0.004 0.000 2.057 132 K HA -0.099 4.229 4.320 0.014 0.000 0.206 132 K C 2.208 178.802 176.600 -0.010 0.000 1.050 132 K CA 1.289 57.577 56.287 0.001 0.000 0.935 132 K CB -0.201 32.303 32.500 0.006 0.000 0.715 132 K HN 0.152 nan 8.250 nan 0.000 0.439 133 G N 0.406 109.196 108.800 -0.016 0.000 2.422 133 G HA2 -0.259 3.710 3.960 0.014 0.000 0.218 133 G HA3 -0.259 3.710 3.960 0.014 0.000 0.218 133 G C 1.553 176.433 174.900 -0.033 0.000 1.146 133 G CA 0.877 45.959 45.100 -0.029 0.000 0.769 133 G HN 0.425 nan 8.290 nan 0.000 0.547 134 A N 0.334 123.138 122.820 -0.027 0.000 1.908 134 A HA 0.031 4.359 4.320 0.014 0.000 0.218 134 A C 2.348 179.917 177.584 -0.024 0.000 1.181 134 A CA 1.724 53.743 52.037 -0.029 0.000 0.627 134 A CB -0.385 18.606 19.000 -0.015 0.000 0.818 134 A HN 0.440 nan 8.150 nan 0.000 0.445 135 L N -1.021 120.192 121.223 -0.015 0.000 2.072 135 L HA 0.060 4.408 4.340 0.014 0.000 0.205 135 L C 2.011 178.873 176.870 -0.013 0.000 1.079 135 L CA 1.725 56.558 54.840 -0.011 0.000 0.752 135 L CB -0.159 41.898 42.059 -0.003 0.000 0.906 135 L HN 0.372 nan 8.230 nan 0.000 0.436 136 L N -1.648 119.565 121.223 -0.015 0.000 2.575 136 L HA 0.450 4.799 4.340 0.014 0.000 0.228 136 L C 0.335 177.193 176.870 -0.020 0.000 1.075 136 L CA 0.327 55.158 54.840 -0.014 0.000 0.867 136 L CB 0.284 42.336 42.059 -0.012 0.000 1.097 136 L HN 0.342 nan 8.230 nan 0.000 0.485 137 G N 1.493 110.275 108.800 -0.029 0.000 2.040 137 G HA2 0.112 4.080 3.960 0.014 0.000 0.195 137 G HA3 0.112 4.080 3.960 0.014 0.000 0.195 137 G C -3.258 171.617 174.900 -0.043 0.000 2.245 137 G CA -0.640 44.440 45.100 -0.034 0.000 0.911 137 G HN -0.299 nan 8.290 nan 0.000 0.566 138 P HA 0.512 nan 4.420 nan 0.000 0.282 138 P C 0.130 177.395 177.300 -0.058 0.000 1.259 138 P CA -0.367 62.691 63.100 -0.070 0.000 0.826 138 P CB 1.979 33.616 31.700 -0.104 0.000 1.064 139 S N 1.704 117.379 115.700 -0.043 0.000 2.523 139 S HA 0.516 4.995 4.470 0.014 0.000 0.275 139 S C -0.240 174.329 174.600 -0.052 0.000 1.281 139 S CA -0.441 57.756 58.200 -0.006 0.000 1.050 139 S CB -0.750 62.487 63.200 0.062 0.000 0.937 139 S HN 0.264 nan 8.310 nan 0.000 0.492 140 M N 4.623 124.192 119.600 -0.052 0.000 2.464 140 M HA 0.469 4.958 4.480 0.014 0.000 0.308 140 M C -1.119 175.141 176.300 -0.066 0.000 1.127 140 M CA -0.376 54.858 55.300 -0.110 0.000 0.913 140 M CB 2.289 34.742 32.600 -0.245 0.000 1.689 140 M HN 0.497 nan 8.290 nan 0.000 0.445 141 M N 4.094 123.635 119.600 -0.098 0.000 1.986 141 M HA 0.333 4.822 4.480 0.014 0.000 0.247 141 M C -2.543 173.621 176.300 -0.226 0.000 0.851 141 M CA -1.332 53.888 55.300 -0.134 0.000 0.785 141 M CB 1.191 33.749 32.600 -0.070 0.000 1.554 141 M HN 0.138 nan 8.290 nan 0.000 0.361 142 P HA 0.462 nan 4.420 nan 0.000 0.285 142 P C -0.301 176.717 177.300 -0.470 0.000 1.259 142 P CA -0.013 62.920 63.100 -0.278 0.000 0.794 142 P CB 1.596 33.198 31.700 -0.163 0.000 0.940 143 G N 0.725 109.279 108.800 -0.409 0.000 2.563 143 G HA2 0.760 4.728 3.960 0.014 0.000 0.302 143 G HA3 0.760 4.728 3.960 0.014 0.000 0.302 143 G C -0.628 174.161 174.900 -0.185 0.000 1.301 143 G CA -0.677 44.155 45.100 -0.446 0.000 0.965 143 G HN 0.773 nan 8.290 nan 0.000 0.480 144 G N -0.383 108.395 108.800 -0.037 0.000 2.350 144 G HA2 0.354 4.322 3.960 0.014 0.000 0.276 144 G HA3 0.354 4.322 3.960 0.014 0.000 0.276 144 G C -1.204 173.831 174.900 0.225 0.000 1.313 144 G CA -0.944 44.218 45.100 0.104 0.000 0.903 144 G HN 0.758 nan 8.290 nan 0.000 0.490 145 Q N 0.202 120.104 119.800 0.171 0.000 2.274 145 Q HA 0.384 4.733 4.340 0.014 0.000 0.280 145 Q C 1.319 177.372 176.000 0.088 0.000 1.047 145 Q CA 0.144 56.025 55.803 0.129 0.000 0.907 145 Q CB 1.529 30.317 28.738 0.083 0.000 1.171 145 Q HN 0.587 nan 8.270 nan 0.000 0.381 146 K N 2.946 123.329 120.400 -0.029 0.000 2.026 146 K HA -0.198 4.131 4.320 0.014 0.000 0.208 146 K C 0.916 177.402 176.600 -0.190 0.000 1.048 146 K CA 1.777 57.854 56.287 -0.349 0.000 0.929 146 K CB 0.171 32.422 32.500 -0.416 0.000 0.713 146 K HN 0.700 nan 8.250 nan 0.000 0.439 147 E N -0.494 119.645 120.200 -0.101 0.000 2.085 147 E HA -0.188 4.170 4.350 0.014 0.000 0.194 147 E C 1.922 178.474 176.600 -0.079 0.000 0.994 147 E CA 1.254 57.604 56.400 -0.083 0.000 0.801 147 E CB -0.215 29.455 29.700 -0.050 0.000 0.743 147 E HN 0.445 nan 8.360 nan 0.000 0.453 148 A N 0.651 123.446 122.820 -0.041 0.000 1.898 148 A HA -0.201 4.127 4.320 0.014 0.000 0.216 148 A C 2.032 179.572 177.584 -0.073 0.000 1.181 148 A CA 1.271 53.283 52.037 -0.041 0.000 0.620 148 A CB -0.751 18.251 19.000 0.003 0.000 0.819 148 A HN 0.401 nan 8.150 nan 0.000 0.442 149 Y N 1.487 121.711 120.300 -0.126 0.000 2.207 149 Y HA -0.233 4.327 4.550 0.016 0.000 0.287 149 Y C 1.663 177.456 175.900 -0.178 0.000 1.156 149 Y CA 1.957 59.969 58.100 -0.146 0.000 1.182 149 Y CB -0.280 38.144 38.460 -0.061 0.000 0.979 149 Y HN 0.361 nan 8.280 nan 0.000 0.521 150 D N 0.123 120.307 120.400 -0.360 0.000 2.182 150 D HA -0.176 4.473 4.640 0.014 0.000 0.201 150 D C 2.183 178.272 176.300 -0.351 0.000 0.986 150 D CA 1.401 55.178 54.000 -0.371 0.000 0.847 150 D CB -0.321 40.357 40.800 -0.204 0.000 0.942 150 D HN 0.426 nan 8.370 nan 0.000 0.467 151 L N -0.030 121.021 121.223 -0.288 0.000 2.217 151 L HA -0.061 4.288 4.340 0.014 0.000 0.211 151 L C 2.152 178.844 176.870 -0.297 0.000 1.107 151 L CA 0.375 55.078 54.840 -0.229 0.000 0.783 151 L CB 0.084 42.052 42.059 -0.152 0.000 0.919 151 L HN -0.057 nan 8.230 nan 0.000 0.442 152 V N -0.684 118.955 119.914 -0.457 0.000 2.992 152 V HA 0.032 4.161 4.120 0.014 0.000 0.250 152 V C 2.618 178.278 176.094 -0.723 0.000 1.090 152 V CA 1.037 62.990 62.300 -0.579 0.000 1.101 152 V CB -0.076 31.341 31.823 -0.676 0.000 0.743 152 V HN 0.364 nan 8.190 nan 0.000 0.468 153 A N 1.298 123.599 122.820 -0.866 0.000 1.927 153 A HA -0.172 4.157 4.320 0.014 0.000 0.220 153 A C 0.472 177.910 177.584 -0.244 0.000 1.185 153 A CA 2.365 54.002 52.037 -0.667 0.000 0.639 153 A CB -1.881 16.702 19.000 -0.694 0.000 0.820 153 A HN 0.547 nan 8.150 nan 0.000 0.451 154 P HA -0.103 nan 4.420 nan 0.000 0.217 154 P C 1.413 178.694 177.300 -0.031 0.000 1.150 154 P CA 0.875 63.930 63.100 -0.075 0.000 0.832 154 P CB -0.129 31.543 31.700 -0.047 0.000 0.787 155 I N -2.130 118.358 120.570 -0.137 0.000 2.202 155 I HA -0.225 3.954 4.170 0.014 0.000 0.242 155 I C 2.166 178.315 176.117 0.054 0.000 1.091 155 I CA 1.294 62.489 61.300 -0.176 0.000 1.368 155 I CB -0.554 37.116 38.000 -0.550 0.000 1.058 155 I HN -0.158 nan 8.210 nan 0.000 0.410 156 F N 1.463 121.318 119.950 -0.159 0.000 2.134 156 F HA -0.190 4.344 4.527 0.013 0.000 0.299 156 F C 2.541 178.327 175.800 -0.022 0.000 1.097 156 F CA 1.292 59.254 58.000 -0.064 0.000 1.264 156 F CB -1.004 38.021 39.000 0.042 0.000 1.001 156 F HN 0.123 nan 8.300 nan 0.000 0.479 157 E N -0.482 119.827 120.200 0.182 0.000 2.153 157 E HA -0.230 4.128 4.350 0.014 0.000 0.194 157 E C 2.145 178.786 176.600 0.068 0.000 0.988 157 E CA 1.197 57.661 56.400 0.106 0.000 0.811 157 E CB -0.187 29.558 29.700 0.075 0.000 0.746 157 E HN 0.515 nan 8.360 nan 0.000 0.466 158 Q N 0.031 119.872 119.800 0.069 0.000 2.083 158 Q HA -0.094 4.255 4.340 0.014 0.000 0.198 158 Q C 2.421 178.444 176.000 0.039 0.000 0.969 158 Q CA 1.245 57.084 55.803 0.060 0.000 0.838 158 Q CB -0.072 28.727 28.738 0.102 0.000 0.900 158 Q HN 0.478 nan 8.270 nan 0.000 0.436 159 I N -2.371 118.214 120.570 0.024 0.000 2.876 159 I HA 0.197 4.376 4.170 0.014 0.000 0.264 159 I C 0.933 177.033 176.117 -0.029 0.000 1.204 159 I CA -0.231 61.061 61.300 -0.013 0.000 1.485 159 I CB -0.206 37.761 38.000 -0.055 0.000 1.103 159 I HN -0.154 nan 8.210 nan 0.000 0.446 160 A N 2.032 124.840 122.820 -0.020 0.000 2.466 160 A HA 0.581 4.910 4.320 0.014 0.000 0.238 160 A C 0.805 178.382 177.584 -0.011 0.000 1.074 160 A CA 0.152 52.173 52.037 -0.027 0.000 0.774 160 A CB -0.130 18.870 19.000 0.001 0.000 1.015 160 A HN 0.567 nan 8.150 nan 0.000 0.498 161 A N 2.016 124.828 122.820 -0.013 0.000 2.531 161 A HA 0.435 4.763 4.320 0.014 0.000 0.236 161 A C 0.243 177.834 177.584 0.012 0.000 1.062 161 A CA 0.080 52.115 52.037 -0.004 0.000 0.760 161 A CB -0.005 18.992 19.000 -0.005 0.000 0.995 161 A HN 0.629 nan 8.150 nan 0.000 0.501 162 K N 1.625 122.032 120.400 0.012 0.000 2.185 162 K HA 0.511 4.840 4.320 0.014 0.000 0.269 162 K C 0.098 176.712 176.600 0.023 0.000 0.987 162 K CA -0.183 56.115 56.287 0.020 0.000 0.865 162 K CB 1.472 33.982 32.500 0.016 0.000 1.090 162 K HN 0.768 nan 8.250 nan 0.000 0.450 163 A N 5.199 128.039 122.820 0.033 0.000 2.548 163 A HA 0.132 4.461 4.320 0.014 0.000 0.247 163 A C -1.131 176.471 177.584 0.031 0.000 1.067 163 A CA -0.690 51.370 52.037 0.039 0.000 0.757 163 A CB -0.136 18.892 19.000 0.046 0.000 0.996 163 A HN 0.441 nan 8.150 nan 0.000 0.504 164 P HA -0.150 nan 4.420 nan 0.000 0.222 164 P C 0.851 178.168 177.300 0.028 0.000 1.147 164 P CA 1.099 64.214 63.100 0.026 0.000 0.790 164 P CB 0.227 31.943 31.700 0.026 0.000 0.780 165 Q N 0.660 120.480 119.800 0.033 0.000 2.124 165 Q HA -0.143 4.205 4.340 0.014 0.000 0.202 165 Q C 0.890 176.904 176.000 0.023 0.000 0.977 165 Q CA 2.004 57.825 55.803 0.029 0.000 0.850 165 Q CB -0.470 28.288 28.738 0.033 0.000 0.901 165 Q HN 0.473 nan 8.270 nan 0.000 0.429 166 D N -4.701 115.713 120.400 0.024 0.000 2.530 166 D HA 0.194 4.843 4.640 0.014 0.000 0.290 166 D C 0.790 177.102 176.300 0.020 0.000 1.398 166 D CA 0.334 54.346 54.000 0.020 0.000 0.848 166 D CB -0.158 40.654 40.800 0.019 0.000 1.279 166 D HN 0.119 nan 8.370 nan 0.000 0.483 167 G N 0.804 109.617 108.800 0.021 0.000 2.189 167 G HA2 -0.388 3.580 3.960 0.014 0.000 0.267 167 G HA3 -0.388 3.580 3.960 0.014 0.000 0.267 167 G C 0.180 175.093 174.900 0.023 0.000 0.975 167 G CA 0.445 45.557 45.100 0.020 0.000 0.644 167 G HN 0.442 nan 8.290 nan 0.000 0.537 168 K N 1.363 121.778 120.400 0.025 0.000 2.451 168 K HA 0.294 4.623 4.320 0.014 0.000 0.280 168 K C -2.241 174.379 176.600 0.033 0.000 1.020 168 K CA -1.200 55.105 56.287 0.029 0.000 1.008 168 K CB 0.498 33.015 32.500 0.028 0.000 0.917 168 K HN 0.099 nan 8.250 nan 0.000 0.478 169 P HA -0.037 nan 4.420 nan 0.000 0.265 169 P C -0.555 176.773 177.300 0.046 0.000 1.193 169 P CA -0.163 62.963 63.100 0.042 0.000 0.765 169 P CB 0.434 32.167 31.700 0.054 0.000 0.823 170 C N 4.558 123.884 119.300 0.043 0.000 3.057 170 C HA 0.393 4.862 4.460 0.014 0.000 0.563 170 C C 0.546 175.561 174.990 0.042 0.000 1.129 170 C CA 0.032 59.080 59.018 0.051 0.000 1.284 170 C CB -1.855 25.924 27.740 0.065 0.000 1.532 170 C HN 0.376 nan 8.230 nan 0.000 0.631 171 V N 1.268 121.212 119.914 0.050 0.000 3.000 171 V HA 0.891 5.020 4.120 0.014 0.000 0.300 171 V C -1.138 175.007 176.094 0.085 0.000 1.251 171 V CA 0.100 62.440 62.300 0.067 0.000 0.972 171 V CB 2.079 33.976 31.823 0.123 0.000 1.065 171 V HN 0.643 nan 8.190 nan 0.000 0.431 172 A N 4.403 127.249 122.820 0.043 0.000 2.608 172 A HA 0.682 5.011 4.320 0.014 0.000 0.292 172 A C -1.759 175.768 177.584 -0.096 0.000 1.066 172 A CA -0.563 51.499 52.037 0.042 0.000 0.676 172 A CB 1.156 20.151 19.000 -0.009 0.000 1.277 172 A HN 1.635 nan 8.150 nan 0.000 0.413 173 Y N 2.600 122.758 120.300 -0.236 0.000 2.569 173 Y HA 0.233 4.793 4.550 0.016 0.000 0.332 173 Y C 1.136 176.848 175.900 -0.314 0.000 1.120 173 Y CA 0.149 57.974 58.100 -0.457 0.000 1.416 173 Y CB 0.501 38.797 38.460 -0.272 0.000 1.210 173 Y HN 0.605 nan 8.280 nan 0.000 0.528 174 M N 4.234 123.297 119.600 -0.895 0.000 2.447 174 M HA 0.269 4.758 4.480 0.014 0.000 0.266 174 M C 0.963 176.745 176.300 -0.864 0.000 1.120 174 M CA 1.214 56.075 55.300 -0.731 0.000 1.166 174 M CB -0.695 31.545 32.600 -0.601 0.000 1.349 174 M HN 0.860 nan 8.290 nan 0.000 0.463 175 G N -0.765 107.227 108.800 -1.347 0.000 2.356 175 G HA2 0.413 4.381 3.960 0.014 0.000 0.288 175 G HA3 0.413 4.381 3.960 0.014 0.000 0.288 175 G C -1.547 172.981 174.900 -0.620 0.000 1.302 175 G CA -0.490 44.104 45.100 -0.843 0.000 0.887 175 G HN 0.435 nan 8.290 nan 0.000 0.521 176 A N -0.239 122.493 122.820 -0.146 0.000 2.327 176 A HA 0.639 4.968 4.320 0.014 0.000 0.255 176 A C 1.352 178.903 177.584 -0.055 0.000 1.099 176 A CA 1.227 53.295 52.037 0.051 0.000 0.801 176 A CB -0.396 18.744 19.000 0.234 0.000 1.062 176 A HN 2.673 nan 8.150 nan 0.000 0.496 177 N N -0.626 118.123 118.700 0.081 0.000 1.167 177 N HA -0.319 4.429 4.740 0.014 0.000 0.140 177 N C 1.012 176.519 175.510 -0.005 0.000 0.473 177 N CA 2.562 55.683 53.050 0.118 0.000 0.991 177 N CB -1.450 37.171 38.487 0.223 0.000 1.437 177 N HN 1.149 nan 8.380 nan 0.000 0.473 178 G N -1.170 107.658 108.800 0.046 0.000 3.026 178 G HA2 0.373 4.342 3.960 0.014 0.000 0.208 178 G HA3 0.373 4.342 3.960 0.014 0.000 0.208 178 G C 1.395 175.961 174.900 -0.557 0.000 1.169 178 G CA 0.874 45.962 45.100 -0.019 0.000 0.788 178 G HN 0.938 nan 8.290 nan 0.000 0.533 179 A N 0.929 122.990 122.820 -1.266 0.000 1.917 179 A HA 0.038 4.367 4.320 0.014 0.000 0.219 179 A C 2.600 179.690 177.584 -0.824 0.000 1.182 179 A CA 2.177 53.158 52.037 -1.760 0.000 0.633 179 A CB -0.784 17.220 19.000 -1.660 0.000 0.819 179 A HN 0.457 nan 8.150 nan 0.000 0.448 180 G N -1.611 106.840 108.800 -0.582 0.000 2.394 180 G HA2 -0.185 3.784 3.960 0.014 0.000 0.214 180 G HA3 -0.185 3.784 3.960 0.014 0.000 0.214 180 G C 1.393 176.152 174.900 -0.234 0.000 1.176 180 G CA 1.082 45.938 45.100 -0.405 0.000 0.786 180 G HN 0.749 nan 8.290 nan 0.000 0.533 181 H N -1.942 117.058 119.070 -0.116 0.000 2.456 181 H HA -0.054 4.513 4.556 0.019 0.000 0.296 181 H C 2.134 177.476 175.328 0.023 0.000 1.079 181 H CA 1.158 57.208 56.048 0.003 0.000 1.322 181 H CB 0.010 29.814 29.762 0.070 0.000 1.388 181 H HN 0.417 nan 8.280 nan 0.000 0.538 182 Y N 0.472 120.719 120.300 -0.088 0.000 2.163 182 Y HA -0.228 4.327 4.550 0.008 0.000 0.288 182 Y C 2.322 178.177 175.900 -0.075 0.000 1.136 182 Y CA 1.160 59.144 58.100 -0.194 0.000 1.147 182 Y CB -0.336 37.839 38.460 -0.475 0.000 0.987 182 Y HN -0.046 nan 8.280 nan 0.000 0.509 183 V N 0.535 120.512 119.914 0.105 0.000 2.343 183 V HA -0.293 3.835 4.120 0.014 0.000 0.247 183 V C 2.298 178.530 176.094 0.230 0.000 1.051 183 V CA 2.206 64.597 62.300 0.150 0.000 1.036 183 V CB -0.734 31.099 31.823 0.017 0.000 0.654 183 V HN 0.243 nan 8.190 nan 0.000 0.451 184 K N 0.540 121.030 120.400 0.150 0.000 2.057 184 K HA -0.182 4.147 4.320 0.014 0.000 0.207 184 K C 2.148 178.827 176.600 0.132 0.000 1.049 184 K CA 1.967 58.341 56.287 0.144 0.000 0.931 184 K CB -0.552 32.026 32.500 0.131 0.000 0.714 184 K HN 0.414 nan 8.250 nan 0.000 0.440 185 M N -0.141 119.519 119.600 0.100 0.000 2.073 185 M HA -0.197 4.291 4.480 0.014 0.000 0.258 185 M C 1.699 177.975 176.300 -0.039 0.000 1.070 185 M CA 1.970 57.303 55.300 0.055 0.000 1.103 185 M CB -0.102 32.487 32.600 -0.018 0.000 1.321 185 M HN 0.067 nan 8.290 nan 0.000 0.405 186 V N 0.034 119.913 119.914 -0.059 0.000 2.343 186 V HA -0.306 3.823 4.120 0.014 0.000 0.247 186 V C 2.576 178.603 176.094 -0.111 0.000 1.051 186 V CA 2.197 64.460 62.300 -0.061 0.000 1.036 186 V CB -1.407 30.427 31.823 0.020 0.000 0.654 186 V HN 0.630 nan 8.190 nan 0.000 0.451 187 H N 1.238 120.189 119.070 -0.199 0.000 2.289 187 H HA -0.232 4.332 4.556 0.013 0.000 0.294 187 H C 2.189 177.290 175.328 -0.378 0.000 1.095 187 H CA 2.517 58.206 56.048 -0.598 0.000 1.256 187 H CB -0.149 29.230 29.762 -0.638 0.000 1.359 187 H HN 0.399 nan 8.280 nan 0.000 0.487 188 N N 0.091 118.735 118.700 -0.093 0.000 2.166 188 N HA -0.086 4.662 4.740 0.014 0.000 0.186 188 N C 2.192 177.559 175.510 -0.238 0.000 1.019 188 N CA 1.114 54.102 53.050 -0.103 0.000 0.856 188 N CB -0.881 37.582 38.487 -0.040 0.000 0.993 188 N HN 0.516 nan 8.380 nan 0.000 0.426 189 G N 1.023 109.655 108.800 -0.280 0.000 2.433 189 G HA2 -0.164 3.804 3.960 0.014 0.000 0.216 189 G HA3 -0.164 3.804 3.960 0.014 0.000 0.216 189 G C 1.589 176.351 174.900 -0.229 0.000 1.186 189 G CA 0.421 45.337 45.100 -0.307 0.000 0.779 189 G HN 0.260 nan 8.290 nan 0.000 0.543 190 I N 0.751 121.140 120.570 -0.301 0.000 2.194 190 I HA -0.229 3.950 4.170 0.014 0.000 0.246 190 I C 2.700 178.676 176.117 -0.235 0.000 1.093 190 I CA 1.700 62.786 61.300 -0.357 0.000 1.355 190 I CB -0.232 37.412 38.000 -0.594 0.000 1.046 190 I HN 0.375 nan 8.210 nan 0.000 0.413 191 E N 0.626 120.666 120.200 -0.265 0.000 2.070 191 E HA -0.289 4.070 4.350 0.014 0.000 0.197 191 E C 2.295 178.911 176.600 0.028 0.000 1.004 191 E CA 1.781 58.102 56.400 -0.130 0.000 0.805 191 E CB -0.199 29.406 29.700 -0.159 0.000 0.744 191 E HN 0.431 nan 8.360 nan 0.000 0.451 192 Y N 0.332 120.535 120.300 -0.162 0.000 2.165 192 Y HA -0.097 4.465 4.550 0.020 0.000 0.286 192 Y C 2.492 178.333 175.900 -0.097 0.000 1.155 192 Y CA 1.419 59.441 58.100 -0.129 0.000 1.164 192 Y CB -1.049 37.319 38.460 -0.154 0.000 0.978 192 Y HN 0.212 nan 8.280 nan 0.000 0.513 193 G N -0.391 108.450 108.800 0.069 0.000 2.421 193 G HA2 -0.246 3.722 3.960 0.014 0.000 0.216 193 G HA3 -0.246 3.722 3.960 0.014 0.000 0.216 193 G C 1.360 176.302 174.900 0.071 0.000 1.171 193 G CA 1.248 46.372 45.100 0.040 0.000 0.775 193 G HN 0.277 nan 8.290 nan 0.000 0.543 194 D N 0.443 120.888 120.400 0.074 0.000 2.123 194 D HA -0.082 4.567 4.640 0.014 0.000 0.196 194 D C 2.612 178.950 176.300 0.064 0.000 0.992 194 D CA 0.874 54.940 54.000 0.109 0.000 0.833 194 D CB -0.273 40.601 40.800 0.123 0.000 0.954 194 D HN 0.320 nan 8.370 nan 0.000 0.455 195 M N -0.210 119.393 119.600 0.005 0.000 2.175 195 M HA -0.165 4.324 4.480 0.014 0.000 0.264 195 M C 2.153 178.437 176.300 -0.027 0.000 1.063 195 M CA 1.067 56.340 55.300 -0.046 0.000 1.119 195 M CB -0.054 32.474 32.600 -0.119 0.000 1.377 195 M HN -0.103 nan 8.290 nan 0.000 0.415 196 Q N 1.004 120.801 119.800 -0.004 0.000 2.172 196 Q HA -0.034 4.315 4.340 0.014 0.000 0.200 196 Q C 1.704 177.735 176.000 0.053 0.000 0.964 196 Q CA 1.508 57.317 55.803 0.011 0.000 0.855 196 Q CB -0.310 28.436 28.738 0.014 0.000 0.918 196 Q HN 0.527 nan 8.270 nan 0.000 0.444 197 L N -0.419 120.878 121.223 0.124 0.000 2.056 197 L HA -0.132 4.216 4.340 0.014 0.000 0.207 197 L C 2.267 179.281 176.870 0.241 0.000 1.078 197 L CA 1.006 55.992 54.840 0.244 0.000 0.749 197 L CB -0.400 41.854 42.059 0.326 0.000 0.901 197 L HN 0.269 nan 8.230 nan 0.000 0.433 198 I N -0.188 120.502 120.570 0.201 0.000 2.226 198 I HA -0.286 3.893 4.170 0.014 0.000 0.245 198 I C 2.825 179.067 176.117 0.210 0.000 1.100 198 I CA 1.138 62.579 61.300 0.235 0.000 1.374 198 I CB -0.498 37.535 38.000 0.055 0.000 1.057 198 I HN 0.199 nan 8.210 nan 0.000 0.413 199 A N 0.568 123.445 122.820 0.094 0.000 1.883 199 A HA -0.262 4.066 4.320 0.014 0.000 0.217 199 A C 2.217 179.877 177.584 0.126 0.000 1.186 199 A CA 1.961 54.064 52.037 0.111 0.000 0.624 199 A CB -0.658 18.362 19.000 0.033 0.000 0.822 199 A HN 0.462 nan 8.150 nan 0.000 0.444 200 E N -0.250 119.934 120.200 -0.026 0.000 2.077 200 E HA -0.116 4.243 4.350 0.014 0.000 0.193 200 E C 2.362 178.842 176.600 -0.199 0.000 0.989 200 E CA 1.252 57.518 56.400 -0.223 0.000 0.800 200 E CB -0.148 29.213 29.700 -0.564 0.000 0.746 200 E HN 0.604 nan 8.360 nan 0.000 0.452 201 S N 0.492 116.182 115.700 -0.017 0.000 2.359 201 S HA -0.217 4.262 4.470 0.014 0.000 0.224 201 S C 1.785 176.501 174.600 0.193 0.000 1.035 201 S CA 1.401 59.723 58.200 0.203 0.000 1.018 201 S CB -0.459 63.061 63.200 0.533 0.000 0.876 201 S HN 0.398 nan 8.310 nan 0.000 0.448 202 Y N 2.521 122.932 120.300 0.186 0.000 2.128 202 Y HA -0.213 4.345 4.550 0.014 0.000 0.284 202 Y C 2.066 177.968 175.900 0.004 0.000 1.154 202 Y CA 1.900 60.081 58.100 0.134 0.000 1.149 202 Y CB -0.738 37.814 38.460 0.153 0.000 0.976 202 Y HN 0.148 nan 8.280 nan 0.000 0.505 203 D N 0.027 120.319 120.400 -0.179 0.000 2.117 203 D HA -0.175 4.474 4.640 0.014 0.000 0.197 203 D C 2.202 178.353 176.300 -0.249 0.000 0.987 203 D CA 1.559 55.377 54.000 -0.303 0.000 0.829 203 D CB -0.306 40.413 40.800 -0.134 0.000 0.961 203 D HN 0.479 nan 8.370 nan 0.000 0.460 204 L N -0.212 120.906 121.223 -0.175 0.000 2.017 204 L HA -0.136 4.212 4.340 0.014 0.000 0.208 204 L C 2.597 179.356 176.870 -0.185 0.000 1.073 204 L CA 0.659 55.408 54.840 -0.151 0.000 0.745 204 L CB -0.380 41.623 42.059 -0.092 0.000 0.894 204 L HN 0.108 nan 8.230 nan 0.000 0.432 205 L N -0.205 120.908 121.223 -0.182 0.000 2.083 205 L HA -0.246 4.103 4.340 0.014 0.000 0.209 205 L C 2.685 179.411 176.870 -0.240 0.000 1.083 205 L CA 1.402 56.113 54.840 -0.214 0.000 0.752 205 L CB -0.475 41.452 42.059 -0.221 0.000 0.899 205 L HN 0.287 nan 8.230 nan 0.000 0.433 206 K N 0.193 120.412 120.400 -0.302 0.000 2.044 206 K HA -0.089 4.240 4.320 0.014 0.000 0.204 206 K C 2.297 178.762 176.600 -0.225 0.000 1.049 206 K CA 0.907 57.006 56.287 -0.312 0.000 0.945 206 K CB 0.185 32.366 32.500 -0.533 0.000 0.724 206 K HN 0.151 nan 8.250 nan 0.000 0.440 207 R N -0.117 120.254 120.500 -0.214 0.000 2.090 207 R HA 0.169 4.518 4.340 0.014 0.000 0.219 207 R C 2.276 178.506 176.300 -0.118 0.000 1.100 207 R CA 0.867 56.879 56.100 -0.146 0.000 0.991 207 R CB 0.057 30.279 30.300 -0.130 0.000 0.893 207 R HN 0.185 nan 8.270 nan 0.000 0.443 208 I N 0.296 120.775 120.570 -0.151 0.000 2.429 208 I HA -0.121 4.057 4.170 0.014 0.000 0.247 208 I C 1.683 177.658 176.117 -0.237 0.000 1.099 208 I CA 0.936 62.142 61.300 -0.157 0.000 1.422 208 I CB 0.094 37.983 38.000 -0.185 0.000 1.112 208 I HN 0.076 nan 8.210 nan 0.000 0.430 209 L N 0.581 121.620 121.223 -0.308 0.000 2.558 209 L HA 0.226 4.574 4.340 0.014 0.000 0.225 209 L C 1.409 178.192 176.870 -0.145 0.000 1.128 209 L CA 0.459 55.110 54.840 -0.315 0.000 0.868 209 L CB -0.514 41.332 42.059 -0.355 0.000 1.006 209 L HN 0.488 nan 8.230 nan 0.000 0.454 210 G N 1.382 110.107 108.800 -0.125 0.000 2.225 210 G HA2 -0.284 3.685 3.960 0.014 0.000 0.267 210 G HA3 -0.284 3.685 3.960 0.014 0.000 0.267 210 G C 0.162 175.009 174.900 -0.089 0.000 1.024 210 G CA 0.039 45.087 45.100 -0.085 0.000 0.784 210 G HN 0.258 nan 8.290 nan 0.000 0.507 211 L N 0.907 122.056 121.223 -0.123 0.000 2.395 211 L HA 0.532 4.881 4.340 0.014 0.000 0.269 211 L C 1.459 178.265 176.870 -0.108 0.000 1.133 211 L CA -0.159 54.613 54.840 -0.114 0.000 0.812 211 L CB 1.232 43.206 42.059 -0.143 0.000 1.125 211 L HN 0.433 nan 8.230 nan 0.000 0.452 212 S N 0.813 116.460 115.700 -0.088 0.000 2.624 212 S HA 0.163 4.641 4.470 0.014 0.000 0.263 212 S C 0.853 175.381 174.600 -0.120 0.000 1.287 212 S CA -0.703 57.443 58.200 -0.089 0.000 0.990 212 S CB 0.876 64.044 63.200 -0.054 0.000 0.950 212 S HN 0.598 nan 8.310 nan 0.000 0.561 213 N N 1.301 119.877 118.700 -0.206 0.000 2.104 213 N HA -0.092 4.656 4.740 0.014 0.000 0.190 213 N C 1.967 177.373 175.510 -0.173 0.000 1.024 213 N CA 1.793 54.673 53.050 -0.284 0.000 0.853 213 N CB -1.310 36.706 38.487 -0.785 0.000 1.008 213 N HN 0.817 nan 8.380 nan 0.000 0.424 214 A N 1.033 123.781 122.820 -0.119 0.000 1.933 214 A HA -0.131 4.197 4.320 0.014 0.000 0.218 214 A C 2.099 179.655 177.584 -0.047 0.000 1.175 214 A CA 1.372 53.391 52.037 -0.031 0.000 0.628 214 A CB -0.418 18.599 19.000 0.028 0.000 0.814 214 A HN 0.353 nan 8.150 nan 0.000 0.444 215 E N -0.382 119.777 120.200 -0.068 0.000 2.072 215 E HA -0.087 4.272 4.350 0.014 0.000 0.190 215 E C 1.864 178.382 176.600 -0.137 0.000 0.982 215 E CA 1.082 57.426 56.400 -0.092 0.000 0.803 215 E CB -0.223 29.422 29.700 -0.092 0.000 0.755 215 E HN 0.696 nan 8.360 nan 0.000 0.453 216 I N 1.218 121.716 120.570 -0.119 0.000 2.252 216 I HA -0.277 3.902 4.170 0.014 0.000 0.245 216 I C 2.814 178.902 176.117 -0.049 0.000 1.102 216 I CA 0.962 62.184 61.300 -0.130 0.000 1.385 216 I CB -0.317 37.687 38.000 0.007 0.000 1.064 216 I HN 0.171 nan 8.210 nan 0.000 0.414 217 Q N 1.533 121.337 119.800 0.005 0.000 2.077 217 Q HA -0.281 4.068 4.340 0.014 0.000 0.206 217 Q C 2.320 178.314 176.000 -0.010 0.000 0.989 217 Q CA 2.437 58.262 55.803 0.036 0.000 0.853 217 Q CB -0.124 28.616 28.738 0.004 0.000 0.907 217 Q HN 0.548 nan 8.270 nan 0.000 0.418 218 A N 0.617 123.396 122.820 -0.068 0.000 1.930 218 A HA -0.139 4.190 4.320 0.014 0.000 0.217 218 A C 2.023 179.499 177.584 -0.179 0.000 1.175 218 A CA 1.238 53.222 52.037 -0.088 0.000 0.627 218 A CB -0.595 18.359 19.000 -0.076 0.000 0.815 218 A HN 0.481 nan 8.150 nan 0.000 0.443 219 I N -1.740 118.630 120.570 -0.333 0.000 2.127 219 I HA -0.265 3.913 4.170 0.014 0.000 0.241 219 I C 2.264 177.872 176.117 -0.847 0.000 1.075 219 I CA 1.475 62.366 61.300 -0.681 0.000 1.334 219 I CB -0.419 37.024 38.000 -0.929 0.000 1.040 219 I HN 0.296 nan 8.210 nan 0.000 0.405 220 F N 1.253 120.884 119.950 -0.532 0.000 2.126 220 F HA -0.225 4.311 4.527 0.015 0.000 0.299 220 F C 2.519 178.271 175.800 -0.081 0.000 1.096 220 F CA 1.577 59.413 58.000 -0.273 0.000 1.255 220 F CB -0.722 38.188 39.000 -0.150 0.000 0.997 220 F HN 0.087 nan 8.300 nan 0.000 0.479 221 E N -0.247 120.003 120.200 0.083 0.000 2.070 221 E HA -0.283 4.076 4.350 0.014 0.000 0.197 221 E C 2.187 178.834 176.600 0.077 0.000 1.004 221 E CA 1.662 58.104 56.400 0.070 0.000 0.805 221 E CB -0.295 29.422 29.700 0.030 0.000 0.744 221 E HN 0.491 nan 8.360 nan 0.000 0.451 222 E N -0.212 120.006 120.200 0.030 0.000 2.047 222 E HA -0.181 4.178 4.350 0.014 0.000 0.191 222 E C 1.762 178.492 176.600 0.216 0.000 0.987 222 E CA 0.912 57.360 56.400 0.081 0.000 0.799 222 E CB -0.027 29.695 29.700 0.035 0.000 0.752 222 E HN 0.291 nan 8.360 nan 0.000 0.449 223 W N 1.239 122.542 121.300 0.005 0.000 2.321 223 W HA -0.164 4.504 4.660 0.014 0.000 0.306 223 W C 2.032 178.569 176.519 0.031 0.000 1.217 223 W CA 1.027 58.377 57.345 0.007 0.000 1.257 223 W CB -1.191 28.280 29.460 0.019 0.000 1.145 223 W HN 0.179 nan 8.180 nan 0.000 0.509 224 N N 0.028 118.906 118.700 0.297 0.000 2.550 224 N HA -0.109 4.639 4.740 0.014 0.000 0.186 224 N C 1.330 176.917 175.510 0.129 0.000 1.110 224 N CA 0.770 53.937 53.050 0.194 0.000 0.912 224 N CB -0.166 38.425 38.487 0.174 0.000 0.968 224 N HN 0.035 nan 8.380 nan 0.000 0.448 225 E N -0.944 119.327 120.200 0.118 0.000 2.442 225 E HA 0.115 4.473 4.350 0.014 0.000 0.195 225 E C 1.029 177.663 176.600 0.058 0.000 1.030 225 E CA 0.076 56.525 56.400 0.081 0.000 0.869 225 E CB 0.110 29.854 29.700 0.073 0.000 0.857 225 E HN 0.309 nan 8.360 nan 0.000 0.505 226 G N 1.237 110.066 108.800 0.049 0.000 2.782 226 G HA2 0.074 4.043 3.960 0.014 0.000 0.201 226 G HA3 0.074 4.043 3.960 0.014 0.000 0.201 226 G C 0.814 175.684 174.900 -0.050 0.000 1.374 226 G CA 0.000 45.096 45.100 -0.006 0.000 1.039 226 G HN 0.088 nan 8.290 nan 0.000 0.576 227 E N -0.465 119.644 120.200 -0.152 0.000 2.267 227 E HA -0.116 4.242 4.350 0.014 0.000 0.197 227 E C 2.074 178.509 176.600 -0.275 0.000 0.998 227 E CA 0.760 57.009 56.400 -0.252 0.000 0.830 227 E CB -0.213 29.180 29.700 -0.511 0.000 0.751 227 E HN 0.330 nan 8.360 nan 0.000 0.491 228 L N 1.505 122.584 121.223 -0.240 0.000 2.465 228 L HA -0.028 4.321 4.340 0.014 0.000 0.224 228 L C 0.840 177.736 176.870 0.043 0.000 1.145 228 L CA -0.007 54.779 54.840 -0.090 0.000 0.834 228 L CB -0.367 41.675 42.059 -0.028 0.000 0.944 228 L HN 0.079 nan 8.230 nan 0.000 0.451 229 D N 1.617 122.055 120.400 0.064 0.000 3.659 229 D HA -0.102 4.547 4.640 0.014 0.000 0.218 229 D C -0.096 176.290 176.300 0.143 0.000 1.220 229 D CA 0.618 54.685 54.000 0.111 0.000 0.803 229 D CB 0.253 41.114 40.800 0.101 0.000 1.180 229 D HN 0.272 nan 8.370 nan 0.000 0.610 230 S N 2.996 118.788 115.700 0.153 0.000 2.550 230 S HA 0.197 4.676 4.470 0.014 0.000 0.270 230 S C 0.360 175.076 174.600 0.193 0.000 1.145 230 S CA -0.931 57.377 58.200 0.181 0.000 0.852 230 S CB 0.931 64.222 63.200 0.151 0.000 1.119 230 S HN 0.329 nan 8.310 nan 0.000 0.465 231 Y N 1.895 122.247 120.300 0.086 0.000 2.242 231 Y HA 0.157 4.715 4.550 0.014 0.000 0.291 231 Y C 1.755 177.670 175.900 0.025 0.000 1.137 231 Y CA 1.394 59.528 58.100 0.057 0.000 1.181 231 Y CB -0.359 38.139 38.460 0.063 0.000 0.989 231 Y HN 0.754 nan 8.280 nan 0.000 0.527 232 L N -0.524 120.677 121.223 -0.037 0.000 2.079 232 L HA -0.262 4.087 4.340 0.014 0.000 0.210 232 L C 2.299 179.040 176.870 -0.215 0.000 1.081 232 L CA 1.368 56.114 54.840 -0.158 0.000 0.752 232 L CB -0.410 41.620 42.059 -0.049 0.000 0.896 232 L HN 0.272 nan 8.230 nan 0.000 0.433 233 I N -0.713 119.789 120.570 -0.113 0.000 2.353 233 I HA -0.276 3.903 4.170 0.014 0.000 0.248 233 I C 2.516 178.534 176.117 -0.165 0.000 1.119 233 I CA 1.068 62.291 61.300 -0.128 0.000 1.417 233 I CB -0.208 37.857 38.000 0.108 0.000 1.078 233 I HN 0.337 nan 8.210 nan 0.000 0.421 234 E N 1.677 121.795 120.200 -0.137 0.000 2.051 234 E HA -0.232 4.127 4.350 0.014 0.000 0.192 234 E C 2.353 178.797 176.600 -0.260 0.000 0.991 234 E CA 1.393 57.707 56.400 -0.144 0.000 0.799 234 E CB -0.019 29.641 29.700 -0.067 0.000 0.748 234 E HN 0.422 nan 8.360 nan 0.000 0.449 235 I N 0.838 121.136 120.570 -0.453 0.000 2.208 235 I HA -0.304 3.875 4.170 0.014 0.000 0.245 235 I C 2.456 178.391 176.117 -0.303 0.000 1.097 235 I CA 1.563 62.618 61.300 -0.408 0.000 1.363 235 I CB -0.402 37.309 38.000 -0.480 0.000 1.051 235 I HN 0.217 nan 8.210 nan 0.000 0.413 236 T N 1.094 115.434 114.554 -0.356 0.000 2.652 236 T HA -0.211 4.148 4.350 0.014 0.000 0.267 236 T C 1.757 176.257 174.700 -0.334 0.000 1.039 236 T CA 2.016 63.855 62.100 -0.435 0.000 1.153 236 T CB -0.257 68.166 68.868 -0.742 0.000 0.863 236 T HN 0.380 nan 8.240 nan 0.000 0.428 237 K N 1.691 121.943 120.400 -0.247 0.000 2.147 237 K HA -0.035 4.294 4.320 0.014 0.000 0.205 237 K C 1.987 178.540 176.600 -0.078 0.000 1.049 237 K CA 1.195 57.424 56.287 -0.098 0.000 0.936 237 K CB -0.241 32.253 32.500 -0.009 0.000 0.722 237 K HN 0.154 nan 8.250 nan 0.000 0.446 238 E N 0.905 121.044 120.200 -0.100 0.000 2.072 238 E HA -0.082 4.277 4.350 0.014 0.000 0.191 238 E C 2.183 178.745 176.600 -0.063 0.000 0.985 238 E CA 1.143 57.502 56.400 -0.068 0.000 0.801 238 E CB -0.367 29.287 29.700 -0.078 0.000 0.750 238 E HN 0.188 nan 8.360 nan 0.000 0.452 239 V N 1.557 121.407 119.914 -0.107 0.000 2.343 239 V HA -0.230 3.899 4.120 0.014 0.000 0.247 239 V C 2.453 178.513 176.094 -0.056 0.000 1.051 239 V CA 1.309 63.551 62.300 -0.096 0.000 1.036 239 V CB -0.435 31.294 31.823 -0.158 0.000 0.654 239 V HN 0.211 nan 8.190 nan 0.000 0.451 240 L N -0.721 120.454 121.223 -0.080 0.000 2.362 240 L HA -0.134 4.214 4.340 0.014 0.000 0.219 240 L C 2.383 179.283 176.870 0.051 0.000 1.134 240 L CA 1.238 56.038 54.840 -0.066 0.000 0.807 240 L CB -0.501 41.503 42.059 -0.091 0.000 0.927 240 L HN 0.297 nan 8.230 nan 0.000 0.447 241 K N -0.425 120.021 120.400 0.077 0.000 2.217 241 K HA -0.004 4.324 4.320 0.014 0.000 0.202 241 K C 0.400 177.106 176.600 0.176 0.000 1.051 241 K CA 0.369 56.737 56.287 0.136 0.000 0.952 241 K CB 0.177 32.713 32.500 0.059 0.000 0.736 241 K HN 0.087 nan 8.250 nan 0.000 0.453 242 R N 2.566 123.153 120.500 0.145 0.000 2.308 242 R HA 0.080 4.429 4.340 0.014 0.000 0.305 242 R C -0.122 176.205 176.300 0.045 0.000 1.053 242 R CA -0.180 55.960 56.100 0.068 0.000 0.957 242 R CB 0.663 30.981 30.300 0.030 0.000 1.022 242 R HN 0.237 nan 8.270 nan 0.000 0.461 243 K N 0.594 120.957 120.400 -0.061 0.000 2.258 243 K HA 0.084 4.412 4.320 0.014 0.000 0.264 243 K C -0.123 176.437 176.600 -0.066 0.000 1.007 243 K CA -0.573 55.629 56.287 -0.142 0.000 0.941 243 K CB 0.582 32.995 32.500 -0.146 0.000 0.966 243 K HN 0.254 nan 8.250 nan 0.000 0.480 244 D N 1.451 121.810 120.400 -0.070 0.000 2.425 244 D HA -0.061 4.587 4.640 0.014 0.000 0.247 244 D C 0.183 176.462 176.300 -0.035 0.000 1.147 244 D CA -0.297 53.684 54.000 -0.031 0.000 0.879 244 D CB 0.775 41.561 40.800 -0.023 0.000 1.179 244 D HN 0.678 nan 8.370 nan 0.000 0.456 245 D N 2.260 122.646 120.400 -0.023 0.000 2.340 245 D HA -0.065 4.584 4.640 0.014 0.000 0.220 245 D C 0.054 176.342 176.300 -0.020 0.000 1.039 245 D CA 0.384 54.370 54.000 -0.023 0.000 0.866 245 D CB 0.013 40.802 40.800 -0.018 0.000 0.913 245 D HN 0.554 nan 8.370 nan 0.000 0.523 246 E N -0.057 120.133 120.200 -0.018 0.000 3.191 246 E HA 0.479 4.838 4.350 0.014 0.000 0.192 246 E C 0.258 176.849 176.600 -0.015 0.000 0.972 246 E CA -0.393 55.998 56.400 -0.015 0.000 1.266 246 E CB 1.210 30.904 29.700 -0.011 0.000 1.076 246 E HN 0.303 nan 8.360 nan 0.000 0.462 247 G N 1.609 110.397 108.800 -0.020 0.000 2.367 247 G HA2 0.082 4.050 3.960 0.014 0.000 0.272 247 G HA3 0.082 4.050 3.960 0.014 0.000 0.272 247 G C -1.514 173.367 174.900 -0.031 0.000 1.271 247 G CA -0.863 44.225 45.100 -0.020 0.000 0.893 247 G HN 0.091 nan 8.290 nan 0.000 0.485 248 E N -0.328 119.855 120.200 -0.028 0.000 2.250 248 E HA 0.746 5.105 4.350 0.014 0.000 0.265 248 E C 0.875 177.446 176.600 -0.047 0.000 1.033 248 E CA 0.265 56.639 56.400 -0.043 0.000 0.888 248 E CB 1.118 30.800 29.700 -0.029 0.000 1.151 248 E HN 2.342 nan 8.360 nan 0.000 0.412 249 G N -0.066 108.675 108.800 -0.099 0.000 2.512 249 G HA2 -0.218 3.750 3.960 0.014 0.000 0.240 249 G HA3 -0.218 3.750 3.960 0.014 0.000 0.240 249 G C -1.134 173.632 174.900 -0.222 0.000 1.246 249 G CA -0.143 44.890 45.100 -0.113 0.000 0.919 249 G HN 0.504 nan 8.290 nan 0.000 0.577 250 Y N -0.538 119.761 120.300 -0.003 0.000 2.360 250 Y HA 0.586 5.145 4.550 0.014 0.000 0.337 250 Y C 1.512 177.405 175.900 -0.012 0.000 1.039 250 Y CA -0.145 57.950 58.100 -0.007 0.000 1.109 250 Y CB 1.560 40.019 38.460 -0.002 0.000 1.201 250 Y HN 0.588 nan 8.280 nan 0.000 0.458 251 I N 2.187 122.828 120.570 0.118 0.000 2.194 251 I HA -0.228 3.951 4.170 0.014 0.000 0.246 251 I C 2.072 178.219 176.117 0.051 0.000 1.093 251 I CA 1.465 62.799 61.300 0.057 0.000 1.355 251 I CB -0.372 37.641 38.000 0.022 0.000 1.046 251 I HN 0.623 nan 8.210 nan 0.000 0.413 252 V N 0.745 120.693 119.914 0.057 0.000 2.469 252 V HA -0.293 3.836 4.120 0.014 0.000 0.251 252 V C 1.768 177.876 176.094 0.022 0.000 1.064 252 V CA 2.560 64.857 62.300 -0.005 0.000 1.066 252 V CB -0.754 31.024 31.823 -0.075 0.000 0.667 252 V HN 0.482 nan 8.190 nan 0.000 0.461 253 D N -0.665 119.777 120.400 0.071 0.000 2.347 253 D HA -0.011 4.638 4.640 0.014 0.000 0.213 253 D C 1.764 178.097 176.300 0.054 0.000 0.985 253 D CA 0.487 54.531 54.000 0.074 0.000 0.879 253 D CB 0.040 40.902 40.800 0.103 0.000 0.919 253 D HN 0.433 nan 8.370 nan 0.000 0.526 254 K N 0.210 120.636 120.400 0.043 0.000 2.353 254 K HA 0.224 4.553 4.320 0.014 0.000 0.195 254 K C 0.804 177.411 176.600 0.013 0.000 1.031 254 K CA -0.219 56.084 56.287 0.026 0.000 1.079 254 K CB 1.272 33.785 32.500 0.022 0.000 0.857 254 K HN 0.178 nan 8.250 nan 0.000 0.535 255 I N 2.608 123.183 120.570 0.007 0.000 2.416 255 I HA -0.002 4.176 4.170 0.014 0.000 0.288 255 I C 0.215 176.331 176.117 -0.001 0.000 1.051 255 I CA -0.857 60.440 61.300 -0.006 0.000 1.375 255 I CB 0.480 38.466 38.000 -0.023 0.000 1.407 255 I HN -0.126 nan 8.210 nan 0.000 0.516 256 L N 7.830 129.051 121.223 -0.003 0.000 2.453 256 L HA 0.023 4.371 4.340 0.014 0.000 0.272 256 L C 0.634 177.505 176.870 0.001 0.000 1.182 256 L CA 0.025 54.866 54.840 0.001 0.000 0.858 256 L CB 0.256 42.314 42.059 -0.002 0.000 1.120 256 L HN 0.566 nan 8.230 nan 0.000 0.474 257 D N 4.654 125.061 120.400 0.011 0.000 2.801 257 D HA 0.028 4.676 4.640 0.014 0.000 0.232 257 D C -0.608 175.704 176.300 0.021 0.000 1.128 257 D CA 0.031 54.040 54.000 0.016 0.000 1.003 257 D CB -0.425 40.393 40.800 0.030 0.000 1.110 257 D HN 0.435 nan 8.370 nan 0.000 0.477 258 K N 0.653 121.059 120.400 0.011 0.000 2.604 258 K HA 0.509 4.838 4.320 0.014 0.000 0.247 258 K C -0.670 175.934 176.600 0.006 0.000 0.956 258 K CA -0.778 55.520 56.287 0.018 0.000 0.896 258 K CB 2.150 34.655 32.500 0.009 0.000 1.131 258 K HN 0.221 nan 8.250 nan 0.000 0.440 259 A N 2.248 125.077 122.820 0.015 0.000 2.450 259 A HA 0.420 4.748 4.320 0.014 0.000 0.255 259 A C 0.642 178.227 177.584 0.001 0.000 1.096 259 A CA -0.018 52.012 52.037 -0.013 0.000 0.778 259 A CB 0.200 19.182 19.000 -0.029 0.000 1.031 259 A HN 0.778 nan 8.150 nan 0.000 0.494 260 G N 0.920 109.703 108.800 -0.028 0.000 2.544 260 G HA2 0.382 4.351 3.960 0.014 0.000 0.242 260 G HA3 0.382 4.351 3.960 0.014 0.000 0.242 260 G C -0.047 174.854 174.900 0.001 0.000 1.247 260 G CA -0.406 44.683 45.100 -0.018 0.000 0.840 260 G HN 0.907 nan 8.290 nan 0.000 0.578 261 N N 0.383 119.092 118.700 0.015 0.000 2.581 261 N HA 0.172 4.921 4.740 0.014 0.000 0.279 261 N C 0.286 175.796 175.510 0.000 0.000 1.124 261 N CA -0.522 52.554 53.050 0.044 0.000 0.833 261 N CB 0.807 39.346 38.487 0.086 0.000 1.338 261 N HN 0.396 nan 8.380 nan 0.000 0.533 262 K N 1.812 122.201 120.400 -0.018 0.000 2.437 262 K HA 0.177 4.505 4.320 0.014 0.000 0.198 262 K C 1.028 177.565 176.600 -0.105 0.000 1.024 262 K CA 0.408 56.663 56.287 -0.054 0.000 1.148 262 K CB 0.556 33.022 32.500 -0.056 0.000 0.860 262 K HN 0.769 nan 8.250 nan 0.000 0.515 263 G N 1.667 110.398 108.800 -0.115 0.000 2.176 263 G HA2 -0.312 3.656 3.960 0.014 0.000 0.253 263 G HA3 -0.312 3.656 3.960 0.014 0.000 0.253 263 G C 0.906 175.553 174.900 -0.422 0.000 0.979 263 G CA 0.949 45.950 45.100 -0.165 0.000 0.641 263 G HN 0.434 nan 8.290 nan 0.000 0.530 264 T N -2.909 111.254 114.554 -0.650 0.000 3.010 264 T HA 0.433 4.791 4.350 0.014 0.000 0.257 264 T C 2.223 176.253 174.700 -1.117 0.000 1.020 264 T CA 1.193 62.402 62.100 -1.485 0.000 0.938 264 T CB 0.460 68.370 68.868 -1.596 0.000 1.049 264 T HN 1.098 nan 8.240 nan 0.000 0.522 265 G N 2.763 111.205 108.800 -0.596 0.000 2.471 265 G HA2 -0.144 3.825 3.960 0.014 0.000 0.219 265 G HA3 -0.144 3.825 3.960 0.014 0.000 0.219 265 G C 1.509 176.030 174.900 -0.632 0.000 1.125 265 G CA 0.827 45.496 45.100 -0.718 0.000 0.775 265 G HN 0.730 nan 8.290 nan 0.000 0.548 266 K N -0.788 119.387 120.400 -0.375 0.000 2.432 266 K HA -0.024 4.305 4.320 0.014 0.000 0.196 266 K C 1.789 178.367 176.600 -0.037 0.000 1.038 266 K CA 0.231 56.412 56.287 -0.176 0.000 0.986 266 K CB -0.161 32.339 32.500 0.000 0.000 0.782 266 K HN 0.284 nan 8.250 nan 0.000 0.485 267 W N 2.658 123.840 121.300 -0.196 0.000 2.381 267 W HA -0.031 4.649 4.660 0.033 0.000 0.301 267 W C 2.074 178.557 176.519 -0.061 0.000 1.205 267 W CA 1.181 58.451 57.345 -0.126 0.000 1.285 267 W CB -1.234 28.133 29.460 -0.156 0.000 1.133 267 W HN 0.126 nan 8.180 nan 0.000 0.521 268 T N 0.220 114.815 114.554 0.070 0.000 2.684 268 T HA -0.198 4.161 4.350 0.014 0.000 0.267 268 T C 2.036 176.737 174.700 0.001 0.000 1.036 268 T CA 2.295 64.378 62.100 -0.028 0.000 1.148 268 T CB -0.669 68.121 68.868 -0.129 0.000 0.863 268 T HN -0.015 nan 8.240 nan 0.000 0.436 269 S N 1.137 116.810 115.700 -0.046 0.000 2.359 269 S HA -0.138 4.341 4.470 0.014 0.000 0.224 269 S C 2.126 176.751 174.600 0.042 0.000 1.035 269 S CA 1.150 59.322 58.200 -0.046 0.000 1.018 269 S CB -0.337 62.772 63.200 -0.152 0.000 0.876 269 S HN 0.591 nan 8.310 nan 0.000 0.448 270 E N 0.774 121.029 120.200 0.093 0.000 2.058 270 E HA -0.142 4.217 4.350 0.014 0.000 0.194 270 E C 2.291 179.005 176.600 0.190 0.000 0.997 270 E CA 1.255 57.747 56.400 0.153 0.000 0.801 270 E CB -0.277 29.542 29.700 0.198 0.000 0.746 270 E HN 0.394 nan 8.360 nan 0.000 0.450 271 S N 0.323 116.164 115.700 0.236 0.000 2.368 271 S HA -0.181 4.297 4.470 0.014 0.000 0.225 271 S C 2.121 176.859 174.600 0.231 0.000 1.030 271 S CA 1.156 59.539 58.200 0.306 0.000 0.999 271 S CB -0.187 63.232 63.200 0.366 0.000 0.844 271 S HN 0.353 nan 8.310 nan 0.000 0.459 272 A N 1.496 124.412 122.820 0.159 0.000 1.892 272 A HA -0.088 4.241 4.320 0.014 0.000 0.218 272 A C 2.202 179.852 177.584 0.110 0.000 1.188 272 A CA 1.811 53.919 52.037 0.117 0.000 0.631 272 A CB -0.962 18.079 19.000 0.068 0.000 0.822 272 A HN 0.586 nan 8.150 nan 0.000 0.447 273 L N -0.653 120.635 121.223 0.109 0.000 2.046 273 L HA -0.186 4.163 4.340 0.014 0.000 0.208 273 L C 2.082 179.015 176.870 0.105 0.000 1.077 273 L CA 1.425 56.327 54.840 0.103 0.000 0.747 273 L CB -0.636 41.486 42.059 0.106 0.000 0.896 273 L HN 0.319 nan 8.230 nan 0.000 0.432 274 D N 0.048 120.526 120.400 0.130 0.000 2.144 274 D HA -0.117 4.532 4.640 0.014 0.000 0.200 274 D C 2.260 178.621 176.300 0.102 0.000 0.978 274 D CA 1.231 55.307 54.000 0.128 0.000 0.833 274 D CB 0.032 40.939 40.800 0.180 0.000 0.961 274 D HN 0.311 nan 8.370 nan 0.000 0.470 275 L N -0.635 120.654 121.223 0.110 0.000 2.509 275 L HA 0.164 4.513 4.340 0.014 0.000 0.222 275 L C 1.277 178.171 176.870 0.041 0.000 1.123 275 L CA 0.390 55.267 54.840 0.061 0.000 0.856 275 L CB 0.067 42.173 42.059 0.079 0.000 0.985 275 L HN 0.101 nan 8.230 nan 0.000 0.456 276 G N 0.752 109.588 108.800 0.060 0.000 2.160 276 G HA2 -0.224 3.745 3.960 0.014 0.000 0.244 276 G HA3 -0.224 3.745 3.960 0.014 0.000 0.244 276 G C -0.037 174.902 174.900 0.065 0.000 1.022 276 G CA 0.026 45.159 45.100 0.056 0.000 0.741 276 G HN 0.100 nan 8.290 nan 0.000 0.508 277 V N 1.965 121.924 119.914 0.075 0.000 2.407 277 V HA 0.519 4.647 4.120 0.014 0.000 0.278 277 V C -1.323 174.824 176.094 0.088 0.000 1.037 277 V CA -1.544 60.805 62.300 0.082 0.000 0.900 277 V CB 1.674 33.545 31.823 0.081 0.000 0.983 277 V HN 0.272 nan 8.190 nan 0.000 0.459 278 P HA 0.235 nan 4.420 nan 0.000 0.280 278 P C -0.618 176.718 177.300 0.060 0.000 1.300 278 P CA -0.104 63.070 63.100 0.123 0.000 0.785 278 P CB 1.122 32.951 31.700 0.214 0.000 0.874 279 L N 7.291 128.528 121.223 0.023 0.000 2.783 279 L HA 0.326 4.675 4.340 0.014 0.000 0.265 279 L C -1.635 175.207 176.870 -0.048 0.000 1.398 279 L CA -1.648 53.164 54.840 -0.046 0.000 0.802 279 L CB 1.100 43.137 42.059 -0.035 0.000 1.126 279 L HN 0.138 nan 8.230 nan 0.000 0.529 280 P HA -0.193 nan 4.420 nan 0.000 0.216 280 P C 1.640 178.937 177.300 -0.005 0.000 1.153 280 P CA 1.203 64.314 63.100 0.019 0.000 0.848 280 P CB 0.606 32.352 31.700 0.078 0.000 0.787 281 L N -0.742 120.451 121.223 -0.050 0.000 2.005 281 L HA -0.097 4.252 4.340 0.014 0.000 0.207 281 L C 2.719 179.570 176.870 -0.031 0.000 1.072 281 L CA 1.415 56.244 54.840 -0.017 0.000 0.744 281 L CB -0.676 41.368 42.059 -0.025 0.000 0.895 281 L HN -0.231 nan 8.230 nan 0.000 0.433 282 I N -0.671 119.854 120.570 -0.076 0.000 2.208 282 I HA -0.322 3.856 4.170 0.014 0.000 0.245 282 I C 2.290 178.321 176.117 -0.143 0.000 1.097 282 I CA 1.770 63.012 61.300 -0.097 0.000 1.363 282 I CB -0.449 37.471 38.000 -0.134 0.000 1.051 282 I HN 0.321 nan 8.210 nan 0.000 0.413 283 T N -0.112 114.343 114.554 -0.166 0.000 2.777 283 T HA -0.137 4.221 4.350 0.014 0.000 0.266 283 T C 1.800 176.305 174.700 -0.324 0.000 1.040 283 T CA 1.024 62.940 62.100 -0.308 0.000 1.141 283 T CB -0.180 68.552 68.868 -0.227 0.000 0.868 283 T HN 0.298 nan 8.240 nan 0.000 0.444 284 E N 1.575 121.737 120.200 -0.065 0.000 2.118 284 E HA -0.128 4.231 4.350 0.014 0.000 0.195 284 E C 2.689 179.294 176.600 0.009 0.000 0.992 284 E CA 1.488 57.926 56.400 0.064 0.000 0.804 284 E CB -0.447 29.313 29.700 0.100 0.000 0.741 284 E HN 0.660 nan 8.360 nan 0.000 0.458 285 S N 0.524 116.204 115.700 -0.033 0.000 2.368 285 S HA -0.117 4.362 4.470 0.014 0.000 0.225 285 S C 2.300 176.859 174.600 -0.068 0.000 1.030 285 S CA 1.333 59.521 58.200 -0.020 0.000 0.999 285 S CB -0.661 62.550 63.200 0.018 0.000 0.844 285 S HN 0.053 nan 8.310 nan 0.000 0.459 286 V N 1.084 120.890 119.914 -0.181 0.000 2.255 286 V HA -0.120 4.008 4.120 0.014 0.000 0.247 286 V C 2.398 178.120 176.094 -0.621 0.000 1.051 286 V CA 1.972 64.037 62.300 -0.391 0.000 1.018 286 V CB -1.125 30.329 31.823 -0.614 0.000 0.641 286 V HN 0.437 nan 8.190 nan 0.000 0.445 287 F N 0.822 120.537 119.950 -0.393 0.000 2.216 287 F HA -0.074 4.460 4.527 0.012 0.000 0.300 287 F C 2.391 178.137 175.800 -0.090 0.000 1.085 287 F CA 0.774 58.623 58.000 -0.252 0.000 1.326 287 F CB -1.368 37.579 39.000 -0.088 0.000 1.027 287 F HN 0.110 nan 8.300 nan 0.000 0.497 288 A N 0.191 123.070 122.820 0.098 0.000 1.902 288 A HA -0.173 4.155 4.320 0.014 0.000 0.217 288 A C 2.430 180.056 177.584 0.070 0.000 1.181 288 A CA 1.300 53.380 52.037 0.072 0.000 0.623 288 A CB -0.574 18.447 19.000 0.036 0.000 0.818 288 A HN 0.266 nan 8.150 nan 0.000 0.443 289 R N -1.496 119.018 120.500 0.022 0.000 2.083 289 R HA -0.158 4.190 4.340 0.014 0.000 0.237 289 R C 2.025 178.484 176.300 0.264 0.000 1.137 289 R CA 1.741 57.884 56.100 0.072 0.000 0.951 289 R CB -0.573 29.733 30.300 0.010 0.000 0.851 289 R HN 0.629 nan 8.270 nan 0.000 0.434 290 Y N 0.612 121.011 120.300 0.164 0.000 2.181 290 Y HA -0.155 4.401 4.550 0.009 0.000 0.288 290 Y C 2.221 178.277 175.900 0.259 0.000 1.146 290 Y CA 0.277 58.511 58.100 0.223 0.000 1.164 290 Y CB -0.752 37.880 38.460 0.286 0.000 0.982 290 Y HN 0.066 nan 8.280 nan 0.000 0.515 291 I N -0.001 120.763 120.570 0.323 0.000 2.676 291 I HA -0.249 3.930 4.170 0.014 0.000 0.259 291 I C 2.362 178.611 176.117 0.221 0.000 1.194 291 I CA 1.275 62.693 61.300 0.196 0.000 1.473 291 I CB -0.199 37.835 38.000 0.056 0.000 1.096 291 I HN 0.263 nan 8.210 nan 0.000 0.443 292 S N -0.333 115.478 115.700 0.185 0.000 2.402 292 S HA -0.209 4.269 4.470 0.014 0.000 0.229 292 S C 2.072 176.755 174.600 0.140 0.000 1.021 292 S CA 1.519 59.798 58.200 0.132 0.000 0.974 292 S CB -1.161 62.090 63.200 0.085 0.000 0.800 292 S HN 0.622 nan 8.310 nan 0.000 0.484 293 T N -2.199 112.464 114.554 0.180 0.000 3.007 293 T HA -0.018 4.341 4.350 0.014 0.000 0.270 293 T C 0.898 175.616 174.700 0.030 0.000 1.107 293 T CA 0.496 62.650 62.100 0.089 0.000 1.118 293 T CB -0.872 68.026 68.868 0.050 0.000 0.889 293 T HN 0.471 nan 8.240 nan 0.000 0.506 294 Y N 1.606 121.927 120.300 0.035 0.000 2.706 294 Y HA 0.397 4.954 4.550 0.012 0.000 0.362 294 Y C 1.874 177.783 175.900 0.016 0.000 1.107 294 Y CA -0.818 57.295 58.100 0.022 0.000 1.477 294 Y CB -0.277 38.198 38.460 0.026 0.000 1.326 294 Y HN 0.144 nan 8.280 nan 0.000 0.499 295 K N 0.821 121.276 120.400 0.091 0.000 2.044 295 K HA -0.216 4.112 4.320 0.014 0.000 0.210 295 K C 1.309 177.938 176.600 0.048 0.000 1.049 295 K CA 2.326 58.649 56.287 0.061 0.000 0.927 295 K CB -0.151 32.367 32.500 0.030 0.000 0.713 295 K HN 0.237 nan 8.250 nan 0.000 0.443 296 D N 0.441 120.857 120.400 0.026 0.000 2.123 296 D HA -0.152 4.496 4.640 0.014 0.000 0.196 296 D C 1.795 178.121 176.300 0.042 0.000 0.992 296 D CA 1.303 55.315 54.000 0.021 0.000 0.833 296 D CB -0.152 40.647 40.800 -0.002 0.000 0.954 296 D HN 0.462 nan 8.370 nan 0.000 0.455 297 E N 0.316 120.562 120.200 0.077 0.000 2.077 297 E HA -0.112 4.247 4.350 0.014 0.000 0.193 297 E C 2.255 178.898 176.600 0.073 0.000 0.989 297 E CA 0.585 57.042 56.400 0.095 0.000 0.800 297 E CB 0.040 29.847 29.700 0.177 0.000 0.746 297 E HN 0.245 nan 8.360 nan 0.000 0.452 298 R N 0.443 120.991 120.500 0.081 0.000 2.081 298 R HA -0.110 4.239 4.340 0.014 0.000 0.235 298 R C 2.496 178.818 176.300 0.037 0.000 1.131 298 R CA 1.087 57.221 56.100 0.056 0.000 0.960 298 R CB -0.446 29.892 30.300 0.062 0.000 0.856 298 R HN 0.056 nan 8.270 nan 0.000 0.436 299 V N 1.723 121.658 119.914 0.035 0.000 2.282 299 V HA -0.312 3.817 4.120 0.014 0.000 0.249 299 V C 2.200 178.306 176.094 0.020 0.000 1.057 299 V CA 1.887 64.202 62.300 0.024 0.000 1.032 299 V CB -0.446 31.389 31.823 0.020 0.000 0.645 299 V HN 0.332 nan 8.190 nan 0.000 0.447 300 K N 0.104 120.518 120.400 0.023 0.000 2.026 300 K HA -0.149 4.179 4.320 0.014 0.000 0.208 300 K C 2.340 178.951 176.600 0.017 0.000 1.048 300 K CA 1.553 57.851 56.287 0.019 0.000 0.929 300 K CB -0.497 32.017 32.500 0.023 0.000 0.713 300 K HN 0.477 nan 8.250 nan 0.000 0.439 301 A N 1.549 124.381 122.820 0.021 0.000 1.902 301 A HA -0.206 4.123 4.320 0.014 0.000 0.217 301 A C 2.190 179.780 177.584 0.010 0.000 1.181 301 A CA 2.227 54.273 52.037 0.015 0.000 0.623 301 A CB -0.848 18.161 19.000 0.016 0.000 0.818 301 A HN 0.431 nan 8.150 nan 0.000 0.443 302 S N -0.075 115.632 115.700 0.012 0.000 2.440 302 S HA -0.193 4.286 4.470 0.014 0.000 0.240 302 S C 1.605 176.209 174.600 0.006 0.000 1.014 302 S CA 1.686 59.891 58.200 0.008 0.000 0.980 302 S CB -0.348 62.857 63.200 0.009 0.000 0.775 302 S HN 0.658 nan 8.310 nan 0.000 0.499 303 K N 0.044 120.449 120.400 0.007 0.000 2.356 303 K HA 0.266 4.595 4.320 0.014 0.000 0.195 303 K C 1.419 178.022 176.600 0.005 0.000 1.037 303 K CA 0.547 56.837 56.287 0.006 0.000 1.014 303 K CB 0.283 32.787 32.500 0.006 0.000 0.815 303 K HN 0.298 nan 8.250 nan 0.000 0.507 304 V N 0.979 120.896 119.914 0.005 0.000 3.048 304 V HA 0.103 4.232 4.120 0.014 0.000 0.241 304 V C 0.726 176.821 176.094 0.002 0.000 1.129 304 V CA 0.268 62.570 62.300 0.004 0.000 1.128 304 V CB 0.205 32.031 31.823 0.005 0.000 0.849 304 V HN 0.117 nan 8.190 nan 0.000 0.475 305 L N 0.896 122.120 121.223 0.002 0.000 2.312 305 L HA 0.437 4.786 4.340 0.014 0.000 0.281 305 L C 0.141 177.012 176.870 0.001 0.000 1.070 305 L CA 0.116 54.957 54.840 0.001 0.000 0.805 305 L CB 1.448 43.507 42.059 -0.000 0.000 1.174 305 L HN 0.149 nan 8.230 nan 0.000 0.434 306 S N 0.925 116.625 115.700 0.000 0.000 2.672 306 S HA 0.853 5.332 4.470 0.014 0.000 0.276 306 S C 0.222 174.822 174.600 0.000 0.000 1.207 306 S CA -0.462 57.738 58.200 0.000 0.000 1.002 306 S CB 1.926 65.126 63.200 0.000 0.000 0.998 306 S HN 0.852 nan 8.310 nan 0.000 0.542 307 G N 0.302 109.102 108.800 0.001 0.000 2.559 307 G HA2 0.610 4.579 3.960 0.014 0.000 0.291 307 G HA3 0.610 4.579 3.960 0.014 0.000 0.291 307 G C -3.301 171.601 174.900 0.002 0.000 1.424 307 G CA -0.990 44.111 45.100 0.001 0.000 0.786 307 G HN 0.536 nan 8.290 nan 0.000 0.485 308 P HA 0.482 nan 4.420 nan 0.000 0.267 308 P C -0.233 177.070 177.300 0.006 0.000 1.200 308 P CA -0.021 63.083 63.100 0.006 0.000 0.772 308 P CB 1.186 32.891 31.700 0.010 0.000 0.855 309 A N 2.937 125.761 122.820 0.007 0.000 3.165 309 A HA 0.348 4.677 4.320 0.014 0.000 0.331 309 A C -0.086 177.505 177.584 0.012 0.000 1.034 309 A CA -0.557 51.484 52.037 0.007 0.000 0.906 309 A CB -0.485 18.518 19.000 0.004 0.000 1.054 309 A HN 0.455 nan 8.150 nan 0.000 0.484 310 L N 0.541 121.776 121.223 0.019 0.000 2.397 310 L HA 0.277 4.625 4.340 0.014 0.000 0.271 310 L C -0.429 176.466 176.870 0.042 0.000 1.148 310 L CA -0.458 54.399 54.840 0.029 0.000 0.825 310 L CB 0.807 42.891 42.059 0.042 0.000 1.117 310 L HN 0.369 nan 8.230 nan 0.000 0.456 311 D N 2.254 122.676 120.400 0.038 0.000 2.280 311 D HA 0.170 4.819 4.640 0.014 0.000 0.236 311 D C -0.321 176.028 176.300 0.082 0.000 1.082 311 D CA -0.341 53.693 54.000 0.056 0.000 0.834 311 D CB 1.313 42.128 40.800 0.024 0.000 1.100 311 D HN 0.149 nan 8.370 nan 0.000 0.486 312 F N 2.416 122.355 119.950 -0.019 0.000 2.602 312 F HA -0.024 4.512 4.527 0.015 0.000 0.385 312 F C 0.960 176.750 175.800 -0.016 0.000 1.063 312 F CA 0.102 58.091 58.000 -0.018 0.000 1.233 312 F CB 0.471 39.458 39.000 -0.021 0.000 1.067 312 F HN 0.149 nan 8.300 nan 0.000 0.564 313 S N 3.266 118.529 115.700 -0.727 0.000 2.843 313 S HA 0.499 4.977 4.470 0.014 0.000 0.249 313 S C 0.319 174.479 174.600 -0.732 0.000 1.047 313 S CA -0.197 57.664 58.200 -0.566 0.000 1.042 313 S CB -0.047 62.991 63.200 -0.269 0.000 0.936 313 S HN 0.870 nan 8.310 nan 0.000 0.531 314 G N 0.493 108.400 108.800 -1.488 0.000 2.938 314 G HA2 0.484 4.453 3.960 0.014 0.000 0.258 314 G HA3 0.484 4.453 3.960 0.014 0.000 0.258 314 G C -1.420 173.304 174.900 -0.294 0.000 1.356 314 G CA -0.538 44.089 45.100 -0.789 0.000 1.052 314 G HN 0.237 nan 8.290 nan 0.000 0.550 315 D N -0.212 120.208 120.400 0.033 0.000 2.339 315 D HA 0.181 4.830 4.640 0.014 0.000 0.241 315 D C 1.089 177.557 176.300 0.280 0.000 1.183 315 D CA -0.195 53.881 54.000 0.126 0.000 0.859 315 D CB 1.323 42.162 40.800 0.064 0.000 1.067 315 D HN 0.304 nan 8.370 nan 0.000 0.484 316 K N 3.054 123.617 120.400 0.272 0.000 2.009 316 K HA -0.192 4.136 4.320 0.014 0.000 0.210 316 K C 1.837 178.478 176.600 0.069 0.000 1.049 316 K CA 1.157 57.548 56.287 0.173 0.000 0.929 316 K CB 0.139 32.703 32.500 0.108 0.000 0.714 316 K HN 0.311 nan 8.250 nan 0.000 0.440 317 K N 1.305 121.739 120.400 0.057 0.000 2.020 317 K HA -0.230 4.099 4.320 0.014 0.000 0.212 317 K C 1.938 178.563 176.600 0.042 0.000 1.050 317 K CA 1.899 58.208 56.287 0.036 0.000 0.929 317 K CB 0.028 32.545 32.500 0.029 0.000 0.714 317 K HN 0.165 nan 8.250 nan 0.000 0.443 318 E N -0.340 119.890 120.200 0.050 0.000 2.085 318 E HA -0.197 4.162 4.350 0.014 0.000 0.194 318 E C 1.962 178.585 176.600 0.039 0.000 0.994 318 E CA 1.560 57.984 56.400 0.039 0.000 0.801 318 E CB 0.040 29.768 29.700 0.047 0.000 0.743 318 E HN 0.124 nan 8.360 nan 0.000 0.453 319 V N 1.171 121.126 119.914 0.069 0.000 2.453 319 V HA -0.222 3.907 4.120 0.014 0.000 0.247 319 V C 2.182 178.284 176.094 0.012 0.000 1.048 319 V CA 1.280 63.602 62.300 0.036 0.000 1.049 319 V CB -0.316 31.516 31.823 0.016 0.000 0.672 319 V HN 0.253 nan 8.190 nan 0.000 0.457 320 I N 0.281 120.867 120.570 0.026 0.000 2.208 320 I HA -0.253 3.926 4.170 0.014 0.000 0.245 320 I C 2.616 178.849 176.117 0.194 0.000 1.097 320 I CA 1.817 63.184 61.300 0.113 0.000 1.363 320 I CB -0.312 37.725 38.000 0.063 0.000 1.051 320 I HN 0.343 nan 8.210 nan 0.000 0.413 321 E N 1.531 121.781 120.200 0.083 0.000 2.106 321 E HA -0.203 4.155 4.350 0.014 0.000 0.192 321 E C 2.012 178.530 176.600 -0.137 0.000 0.984 321 E CA 1.562 57.952 56.400 -0.016 0.000 0.806 321 E CB -0.053 29.626 29.700 -0.035 0.000 0.750 321 E HN 0.308 nan 8.360 nan 0.000 0.458 322 K N -0.083 120.261 120.400 -0.094 0.000 2.057 322 K HA -0.050 4.279 4.320 0.014 0.000 0.206 322 K C 2.251 178.768 176.600 -0.138 0.000 1.050 322 K CA 1.467 57.672 56.287 -0.137 0.000 0.935 322 K CB -0.230 32.225 32.500 -0.075 0.000 0.715 322 K HN 0.221 nan 8.250 nan 0.000 0.439 323 I N 0.836 121.385 120.570 -0.034 0.000 2.264 323 I HA -0.295 3.884 4.170 0.014 0.000 0.248 323 I C 2.703 178.709 176.117 -0.185 0.000 1.111 323 I CA 1.089 62.416 61.300 0.045 0.000 1.382 323 I CB -0.279 37.851 38.000 0.217 0.000 1.060 323 I HN 0.177 nan 8.210 nan 0.000 0.418 324 R N 1.622 121.852 120.500 -0.451 0.000 2.080 324 R HA -0.204 4.145 4.340 0.014 0.000 0.236 324 R C 2.304 178.243 176.300 -0.601 0.000 1.137 324 R CA 1.719 57.179 56.100 -1.067 0.000 0.943 324 R CB -0.098 29.483 30.300 -1.198 0.000 0.846 324 R HN 0.291 nan 8.270 nan 0.000 0.431 325 K N -0.183 119.913 120.400 -0.508 0.000 2.063 325 K HA -0.145 4.183 4.320 0.014 0.000 0.208 325 K C 2.103 178.590 176.600 -0.189 0.000 1.048 325 K CA 1.536 57.514 56.287 -0.515 0.000 0.928 325 K CB -0.186 31.822 32.500 -0.820 0.000 0.713 325 K HN 0.248 nan 8.250 nan 0.000 0.442 326 A N 1.439 124.085 122.820 -0.290 0.000 1.902 326 A HA -0.152 4.176 4.320 0.014 0.000 0.217 326 A C 2.100 179.402 177.584 -0.470 0.000 1.181 326 A CA 1.121 52.910 52.037 -0.413 0.000 0.623 326 A CB -0.491 18.189 19.000 -0.533 0.000 0.818 326 A HN 0.245 nan 8.150 nan 0.000 0.443 327 L N -1.726 119.312 121.223 -0.308 0.000 2.017 327 L HA -0.153 4.196 4.340 0.014 0.000 0.208 327 L C 2.275 179.160 176.870 0.024 0.000 1.073 327 L CA 2.329 57.125 54.840 -0.073 0.000 0.745 327 L CB -0.984 41.110 42.059 0.058 0.000 0.894 327 L HN 0.481 nan 8.230 nan 0.000 0.432 328 Y N -0.823 119.418 120.300 -0.098 0.000 2.200 328 Y HA -0.272 4.287 4.550 0.015 0.000 0.290 328 Y C 2.416 178.355 175.900 0.064 0.000 1.137 328 Y CA 1.754 59.837 58.100 -0.029 0.000 1.163 328 Y CB -0.747 37.741 38.460 0.047 0.000 0.988 328 Y HN 0.327 nan 8.280 nan 0.000 0.518 329 F N 0.113 120.050 119.950 -0.022 0.000 2.095 329 F HA -0.252 4.284 4.527 0.015 0.000 0.298 329 F C 2.440 178.160 175.800 -0.134 0.000 1.104 329 F CA 2.216 60.152 58.000 -0.107 0.000 1.232 329 F CB -0.729 38.224 39.000 -0.078 0.000 0.987 329 F HN -0.055 nan 8.300 nan 0.000 0.475 330 S N 0.020 115.801 115.700 0.135 0.000 2.383 330 S HA -0.197 4.281 4.470 0.014 0.000 0.227 330 S C 2.017 176.640 174.600 0.038 0.000 1.026 330 S CA 1.242 59.488 58.200 0.078 0.000 0.981 330 S CB -0.377 62.811 63.200 -0.020 0.000 0.818 330 S HN 0.367 nan 8.310 nan 0.000 0.472 331 K N 0.987 121.397 120.400 0.016 0.000 2.057 331 K HA -0.011 4.318 4.320 0.014 0.000 0.207 331 K C 1.941 178.608 176.600 0.112 0.000 1.049 331 K CA 1.100 57.428 56.287 0.070 0.000 0.931 331 K CB -0.250 32.196 32.500 -0.091 0.000 0.714 331 K HN 0.306 nan 8.250 nan 0.000 0.440 332 I N 0.897 121.411 120.570 -0.093 0.000 2.208 332 I HA -0.323 3.855 4.170 0.014 0.000 0.245 332 I C 2.301 178.376 176.117 -0.070 0.000 1.097 332 I CA 0.906 62.169 61.300 -0.061 0.000 1.363 332 I CB -0.180 37.701 38.000 -0.199 0.000 1.051 332 I HN 0.245 nan 8.210 nan 0.000 0.413 333 M N -0.307 119.211 119.600 -0.137 0.000 2.086 333 M HA -0.196 4.293 4.480 0.014 0.000 0.261 333 M C 2.588 178.807 176.300 -0.135 0.000 1.067 333 M CA 1.609 56.845 55.300 -0.107 0.000 1.116 333 M CB -1.530 31.048 32.600 -0.037 0.000 1.348 333 M HN 0.180 nan 8.290 nan 0.000 0.407 334 S N -0.501 115.193 115.700 -0.010 0.000 2.356 334 S HA -0.154 4.325 4.470 0.014 0.000 0.223 334 S C 1.954 176.571 174.600 0.028 0.000 1.032 334 S CA 1.213 59.406 58.200 -0.011 0.000 1.005 334 S CB -0.240 63.003 63.200 0.072 0.000 0.867 334 S HN 0.398 nan 8.310 nan 0.000 0.449 335 Y N 1.619 121.965 120.300 0.077 0.000 2.242 335 Y HA 0.087 4.647 4.550 0.018 0.000 0.291 335 Y C 2.668 178.667 175.900 0.166 0.000 1.137 335 Y CA 0.657 58.887 58.100 0.217 0.000 1.181 335 Y CB -0.936 37.705 38.460 0.301 0.000 0.989 335 Y HN 0.347 nan 8.280 nan 0.000 0.527 336 A N 0.021 122.902 122.820 0.102 0.000 1.908 336 A HA -0.293 4.036 4.320 0.014 0.000 0.218 336 A C 2.107 179.688 177.584 -0.005 0.000 1.181 336 A CA 2.027 54.050 52.037 -0.023 0.000 0.627 336 A CB -0.755 18.178 19.000 -0.112 0.000 0.818 336 A HN 0.542 nan 8.150 nan 0.000 0.445 337 Q N -0.839 118.883 119.800 -0.129 0.000 2.050 337 Q HA -0.102 4.246 4.340 0.014 0.000 0.202 337 Q C 2.269 178.244 176.000 -0.042 0.000 0.980 337 Q CA 1.326 57.029 55.803 -0.167 0.000 0.840 337 Q CB -0.516 28.009 28.738 -0.355 0.000 0.898 337 Q HN 0.680 nan 8.270 nan 0.000 0.424 338 G N 0.048 108.832 108.800 -0.026 0.000 2.446 338 G HA2 -0.241 3.727 3.960 0.014 0.000 0.217 338 G HA3 -0.241 3.727 3.960 0.014 0.000 0.217 338 G C 1.034 175.909 174.900 -0.041 0.000 1.168 338 G CA 0.630 45.700 45.100 -0.050 0.000 0.771 338 G HN 0.220 nan 8.290 nan 0.000 0.551 339 F N 1.613 121.595 119.950 0.054 0.000 2.259 339 F HA 0.154 4.692 4.527 0.019 0.000 0.298 339 F C 2.984 178.772 175.800 -0.021 0.000 1.088 339 F CA 0.770 58.804 58.000 0.057 0.000 1.358 339 F CB -0.146 38.937 39.000 0.138 0.000 1.040 339 F HN 0.233 nan 8.300 nan 0.000 0.505 340 A N -0.508 122.392 122.820 0.134 0.000 1.933 340 A HA -0.271 4.058 4.320 0.014 0.000 0.218 340 A C 2.156 179.770 177.584 0.050 0.000 1.175 340 A CA 1.846 53.920 52.037 0.061 0.000 0.628 340 A CB -0.845 18.189 19.000 0.058 0.000 0.814 340 A HN 0.470 nan 8.150 nan 0.000 0.444 341 Q N -0.401 119.435 119.800 0.059 0.000 2.079 341 Q HA -0.093 4.256 4.340 0.014 0.000 0.200 341 Q C 1.964 178.036 176.000 0.119 0.000 0.974 341 Q CA 1.337 57.195 55.803 0.092 0.000 0.840 341 Q CB -0.244 28.559 28.738 0.107 0.000 0.898 341 Q HN 0.670 nan 8.270 nan 0.000 0.430 342 L N 0.295 121.584 121.223 0.110 0.000 2.042 342 L HA -0.225 4.124 4.340 0.014 0.000 0.210 342 L C 2.825 179.809 176.870 0.190 0.000 1.076 342 L CA 1.588 56.520 54.840 0.153 0.000 0.749 342 L CB -0.480 41.646 42.059 0.112 0.000 0.893 342 L HN 0.258 nan 8.230 nan 0.000 0.432 343 R N 0.492 121.042 120.500 0.083 0.000 2.081 343 R HA -0.227 4.122 4.340 0.014 0.000 0.235 343 R C 2.368 178.694 176.300 0.043 0.000 1.131 343 R CA 1.700 57.827 56.100 0.045 0.000 0.960 343 R CB -0.028 30.185 30.300 -0.144 0.000 0.856 343 R HN 0.040 nan 8.270 nan 0.000 0.436 344 K N 0.418 120.821 120.400 0.006 0.000 2.057 344 K HA -0.032 4.297 4.320 0.014 0.000 0.207 344 K C 1.760 178.281 176.600 -0.132 0.000 1.049 344 K CA 1.711 57.973 56.287 -0.042 0.000 0.931 344 K CB -0.371 32.122 32.500 -0.012 0.000 0.714 344 K HN 0.267 nan 8.250 nan 0.000 0.440 345 A N -0.216 122.525 122.820 -0.133 0.000 1.902 345 A HA -0.157 4.172 4.320 0.014 0.000 0.217 345 A C 2.342 179.723 177.584 -0.338 0.000 1.181 345 A CA 2.171 54.020 52.037 -0.313 0.000 0.623 345 A CB -1.175 17.427 19.000 -0.663 0.000 0.818 345 A HN 0.414 nan 8.150 nan 0.000 0.443 346 S N -0.675 114.967 115.700 -0.097 0.000 2.359 346 S HA -0.238 4.241 4.470 0.014 0.000 0.224 346 S C 2.127 176.636 174.600 -0.151 0.000 1.035 346 S CA 1.797 59.991 58.200 -0.010 0.000 1.018 346 S CB -0.378 62.912 63.200 0.150 0.000 0.876 346 S HN 0.692 nan 8.310 nan 0.000 0.448 347 E N 0.347 120.466 120.200 -0.136 0.000 2.051 347 E HA -0.233 4.126 4.350 0.014 0.000 0.192 347 E C 2.027 178.449 176.600 -0.296 0.000 0.991 347 E CA 1.683 57.989 56.400 -0.157 0.000 0.799 347 E CB -0.374 29.262 29.700 -0.107 0.000 0.748 347 E HN 0.563 nan 8.360 nan 0.000 0.449 348 E N -0.304 119.617 120.200 -0.465 0.000 2.077 348 E HA -0.154 4.204 4.350 0.014 0.000 0.193 348 E C 1.193 177.256 176.600 -0.896 0.000 0.989 348 E CA 1.467 57.430 56.400 -0.728 0.000 0.800 348 E CB -0.242 28.843 29.700 -1.026 0.000 0.746 348 E HN 0.332 nan 8.360 nan 0.000 0.452 349 F N 0.795 120.325 119.950 -0.699 0.000 2.639 349 F HA 0.257 4.787 4.527 0.004 0.000 0.302 349 F C -0.159 175.171 175.800 -0.782 0.000 1.097 349 F CA -0.045 57.404 58.000 -0.919 0.000 1.294 349 F CB 0.322 38.264 39.000 -1.763 0.000 1.027 349 F HN -0.149 nan 8.300 nan 0.000 0.550 350 D N -0.422 119.761 120.400 -0.362 0.000 2.697 350 D HA -0.226 4.423 4.640 0.014 0.000 0.238 350 D C 0.305 176.607 176.300 0.004 0.000 1.152 350 D CA 0.415 54.331 54.000 -0.140 0.000 0.666 350 D CB -1.117 39.646 40.800 -0.060 0.000 1.037 350 D HN 0.398 nan 8.370 nan 0.000 0.423 351 W N 0.338 121.623 121.300 -0.024 0.000 2.872 351 W HA 0.067 4.730 4.660 0.006 0.000 0.266 351 W C 1.205 177.651 176.519 -0.121 0.000 1.276 351 W CA 0.289 57.586 57.345 -0.080 0.000 1.471 351 W CB -0.160 29.220 29.460 -0.134 0.000 1.071 351 W HN 0.125 nan 8.180 nan 0.000 0.619 352 D N 0.946 121.403 120.400 0.095 0.000 2.697 352 D HA -0.194 4.455 4.640 0.014 0.000 0.238 352 D C -0.091 176.101 176.300 -0.180 0.000 1.152 352 D CA 0.463 54.448 54.000 -0.024 0.000 0.666 352 D CB -1.217 39.586 40.800 0.005 0.000 1.037 352 D HN 0.026 nan 8.370 nan 0.000 0.423 353 L N 0.621 121.666 121.223 -0.298 0.000 2.490 353 L HA 0.183 4.532 4.340 0.014 0.000 0.274 353 L C -1.299 175.036 176.870 -0.892 0.000 1.201 353 L CA -1.034 53.482 54.840 -0.541 0.000 0.869 353 L CB 0.224 41.993 42.059 -0.484 0.000 1.123 353 L HN 0.119 nan 8.230 nan 0.000 0.484 354 P HA 0.090 nan 4.420 nan 0.000 0.241 354 P C -0.101 176.923 177.300 -0.461 0.000 1.780 354 P CA -0.319 62.503 63.100 -0.464 0.000 1.111 354 P CB 0.138 31.684 31.700 -0.257 0.000 1.852 355 Y N 1.903 122.004 120.300 -0.332 0.000 2.114 355 Y HA -0.181 4.376 4.550 0.012 0.000 0.282 355 Y C 2.788 178.478 175.900 -0.350 0.000 1.165 355 Y CA 2.182 59.986 58.100 -0.494 0.000 1.148 355 Y CB -1.809 35.877 38.460 -1.291 0.000 0.972 355 Y HN 0.260 nan 8.280 nan 0.000 0.504 356 G N -0.950 107.781 108.800 -0.114 0.000 2.418 356 G HA2 -0.231 3.737 3.960 0.014 0.000 0.217 356 G HA3 -0.231 3.737 3.960 0.014 0.000 0.217 356 G C 1.701 176.598 174.900 -0.005 0.000 1.158 356 G CA 1.652 46.802 45.100 0.084 0.000 0.771 356 G HN 0.389 nan 8.290 nan 0.000 0.545 357 T N 1.279 115.791 114.554 -0.071 0.000 2.821 357 T HA -0.013 4.345 4.350 0.014 0.000 0.267 357 T C 2.380 176.973 174.700 -0.178 0.000 1.046 357 T CA 0.794 62.836 62.100 -0.098 0.000 1.139 357 T CB -0.125 68.682 68.868 -0.102 0.000 0.871 357 T HN 0.253 nan 8.240 nan 0.000 0.454 358 I N 1.549 121.959 120.570 -0.266 0.000 2.151 358 I HA -0.257 3.922 4.170 0.014 0.000 0.243 358 I C 2.907 178.625 176.117 -0.666 0.000 1.080 358 I CA 1.363 62.339 61.300 -0.540 0.000 1.339 358 I CB -0.475 37.179 38.000 -0.577 0.000 1.039 358 I HN 0.203 nan 8.210 nan 0.000 0.409 359 A N -0.104 122.577 122.820 -0.233 0.000 1.933 359 A HA -0.230 4.098 4.320 0.014 0.000 0.218 359 A C 2.269 179.871 177.584 0.031 0.000 1.175 359 A CA 1.371 53.405 52.037 -0.004 0.000 0.628 359 A CB -0.473 18.561 19.000 0.057 0.000 0.814 359 A HN 0.421 nan 8.150 nan 0.000 0.444 360 Q N -0.116 119.673 119.800 -0.020 0.000 2.124 360 Q HA -0.163 4.186 4.340 0.014 0.000 0.202 360 Q C 2.076 178.101 176.000 0.042 0.000 0.977 360 Q CA 1.773 57.586 55.803 0.018 0.000 0.850 360 Q CB -0.564 28.174 28.738 0.000 0.000 0.901 360 Q HN 0.977 nan 8.270 nan 0.000 0.429 361 I N -4.427 116.131 120.570 -0.020 0.000 3.564 361 I HA 0.011 4.189 4.170 0.014 0.000 0.294 361 I C 0.810 177.069 176.117 0.237 0.000 1.289 361 I CA 0.251 61.577 61.300 0.043 0.000 1.325 361 I CB -0.247 37.738 38.000 -0.025 0.000 1.039 361 I HN -0.021 nan 8.210 nan 0.000 0.474 362 W N 1.886 123.252 121.300 0.111 0.000 3.278 362 W HA 0.288 4.955 4.660 0.012 0.000 0.308 362 W C 1.994 178.602 176.519 0.149 0.000 1.253 362 W CA -0.456 56.984 57.345 0.159 0.000 1.759 362 W CB -0.580 29.034 29.460 0.257 0.000 1.093 362 W HN 0.170 nan 8.180 nan 0.000 0.648 363 R N 0.307 120.985 120.500 0.298 0.000 2.280 363 R HA 0.242 4.590 4.340 0.014 0.000 0.207 363 R C 0.679 177.066 176.300 0.145 0.000 1.043 363 R CA 0.828 57.051 56.100 0.204 0.000 1.006 363 R CB 0.136 30.520 30.300 0.140 0.000 0.885 363 R HN -0.079 nan 8.270 nan 0.000 0.467 364 A N -1.797 121.101 122.820 0.130 0.000 2.610 364 A HA 0.533 4.862 4.320 0.014 0.000 0.291 364 A C 0.179 177.793 177.584 0.049 0.000 1.086 364 A CA -0.173 51.899 52.037 0.058 0.000 0.677 364 A CB 1.118 20.137 19.000 0.032 0.000 1.278 364 A HN 0.135 nan 8.150 nan 0.000 0.414 365 G N -1.287 107.508 108.800 -0.010 0.000 2.160 365 G HA2 0.044 4.013 3.960 0.014 0.000 0.251 365 G HA3 0.044 4.013 3.960 0.014 0.000 0.251 365 G C 0.702 175.594 174.900 -0.014 0.000 1.008 365 G CA 0.874 45.962 45.100 -0.021 0.000 0.724 365 G HN 2.672 nan 8.290 nan 0.000 0.514 366 C N -3.133 116.178 119.300 0.017 0.000 3.311 366 C HA 0.751 5.219 4.460 0.014 0.000 0.325 366 C C 1.385 176.459 174.990 0.140 0.000 1.352 366 C CA -0.479 58.576 59.018 0.062 0.000 1.308 366 C CB 0.812 28.575 27.740 0.039 0.000 1.619 366 C HN 0.689 nan 8.230 nan 0.000 0.469 367 I N 1.713 122.411 120.570 0.213 0.000 2.394 367 I HA -0.011 4.168 4.170 0.014 0.000 0.251 367 I C 1.831 178.078 176.117 0.218 0.000 1.136 367 I CA 1.848 63.290 61.300 0.237 0.000 1.425 367 I CB -0.100 37.998 38.000 0.164 0.000 1.079 367 I HN 0.756 nan 8.210 nan 0.000 0.425 368 I N -0.198 120.458 120.570 0.143 0.000 3.684 368 I HA 0.104 4.283 4.170 0.014 0.000 0.304 368 I C 1.000 177.278 176.117 0.268 0.000 1.278 368 I CA -0.429 60.950 61.300 0.132 0.000 1.272 368 I CB -0.824 37.135 38.000 -0.069 0.000 1.029 368 I HN 0.074 nan 8.210 nan 0.000 0.458 369 R N 2.411 123.068 120.500 0.263 0.000 2.566 369 R HA 0.445 4.794 4.340 0.014 0.000 0.273 369 R C -0.469 176.005 176.300 0.290 0.000 0.981 369 R CA 0.581 56.844 56.100 0.272 0.000 1.091 369 R CB -0.038 30.370 30.300 0.180 0.000 0.924 369 R HN 0.358 nan 8.270 nan 0.000 0.411 370 A N 2.358 125.362 122.820 0.307 0.000 2.594 370 A HA 0.205 4.533 4.320 0.014 0.000 0.296 370 A C -0.115 177.658 177.584 0.315 0.000 1.056 370 A CA -0.784 51.444 52.037 0.320 0.000 0.693 370 A CB 1.616 20.853 19.000 0.396 0.000 1.278 370 A HN 0.728 nan 8.150 nan 0.000 0.408 371 E N 0.493 120.851 120.200 0.263 0.000 2.153 371 E HA -0.115 4.243 4.350 0.014 0.000 0.194 371 E C 1.346 178.087 176.600 0.235 0.000 0.988 371 E CA 2.375 58.896 56.400 0.202 0.000 0.811 371 E CB -0.331 29.455 29.700 0.144 0.000 0.746 371 E HN 0.827 nan 8.360 nan 0.000 0.466 372 F N -0.311 119.686 119.950 0.079 0.000 2.546 372 F HA -0.032 4.503 4.527 0.013 0.000 0.298 372 F C 1.302 177.123 175.800 0.035 0.000 1.120 372 F CA 0.368 58.407 58.000 0.065 0.000 1.456 372 F CB -0.547 38.578 39.000 0.209 0.000 1.088 372 F HN -0.037 nan 8.300 nan 0.000 0.572 373 L N 0.911 122.012 121.223 -0.204 0.000 2.089 373 L HA -0.249 4.100 4.340 0.014 0.000 0.213 373 L C 2.657 179.441 176.870 -0.144 0.000 1.079 373 L CA 1.807 56.519 54.840 -0.213 0.000 0.758 373 L CB -1.805 40.314 42.059 0.101 0.000 0.891 373 L HN 0.363 nan 8.230 nan 0.000 0.433 374 Q N -0.054 119.696 119.800 -0.084 0.000 2.124 374 Q HA -0.184 4.164 4.340 0.014 0.000 0.202 374 Q C 1.917 177.817 176.000 -0.167 0.000 0.977 374 Q CA 1.963 57.714 55.803 -0.087 0.000 0.850 374 Q CB -0.289 28.413 28.738 -0.059 0.000 0.901 374 Q HN 0.618 nan 8.270 nan 0.000 0.429 375 N N -0.599 117.936 118.700 -0.275 0.000 2.205 375 N HA -0.116 4.633 4.740 0.014 0.000 0.186 375 N C 1.518 176.936 175.510 -0.152 0.000 1.015 375 N CA 1.531 54.324 53.050 -0.428 0.000 0.862 375 N CB -0.133 37.815 38.487 -0.899 0.000 0.986 375 N HN 0.292 nan 8.380 nan 0.000 0.429 376 I N 0.241 120.733 120.570 -0.130 0.000 2.202 376 I HA -0.224 3.955 4.170 0.014 0.000 0.242 376 I C 1.922 177.994 176.117 -0.075 0.000 1.091 376 I CA 1.065 62.265 61.300 -0.167 0.000 1.368 376 I CB -0.593 37.181 38.000 -0.377 0.000 1.058 376 I HN 0.164 nan 8.210 nan 0.000 0.410 377 T N 0.310 114.849 114.554 -0.025 0.000 2.665 377 T HA -0.208 4.151 4.350 0.014 0.000 0.268 377 T C 1.499 176.214 174.700 0.026 0.000 1.035 377 T CA 1.734 63.865 62.100 0.052 0.000 1.151 377 T CB -0.407 68.471 68.868 0.018 0.000 0.862 377 T HN 0.303 nan 8.240 nan 0.000 0.438 378 D N 1.345 121.716 120.400 -0.048 0.000 2.116 378 D HA -0.085 4.563 4.640 0.014 0.000 0.193 378 D C 2.380 178.644 176.300 -0.060 0.000 0.998 378 D CA 1.410 55.374 54.000 -0.061 0.000 0.836 378 D CB -0.595 40.133 40.800 -0.121 0.000 0.951 378 D HN 0.431 nan 8.370 nan 0.000 0.449 379 A N 0.246 122.999 122.820 -0.113 0.000 1.883 379 A HA -0.177 4.151 4.320 0.014 0.000 0.217 379 A C 2.042 179.467 177.584 -0.265 0.000 1.186 379 A CA 1.220 53.128 52.037 -0.216 0.000 0.624 379 A CB -0.963 17.829 19.000 -0.346 0.000 0.822 379 A HN 0.173 nan 8.150 nan 0.000 0.444 380 F N 0.351 120.292 119.950 -0.015 0.000 2.367 380 F HA -0.036 4.500 4.527 0.015 0.000 0.298 380 F C 1.961 177.777 175.800 0.027 0.000 1.094 380 F CA 0.964 58.973 58.000 0.016 0.000 1.409 380 F CB -0.421 38.605 39.000 0.044 0.000 1.064 380 F HN 0.171 nan 8.300 nan 0.000 0.528 381 D N 0.416 120.907 120.400 0.153 0.000 2.104 381 D HA -0.192 4.456 4.640 0.014 0.000 0.194 381 D C 2.199 178.538 176.300 0.064 0.000 0.994 381 D CA 1.223 55.277 54.000 0.090 0.000 0.830 381 D CB -0.305 40.524 40.800 0.048 0.000 0.959 381 D HN 0.190 nan 8.370 nan 0.000 0.452 382 K N -0.317 120.105 120.400 0.036 0.000 2.097 382 K HA -0.124 4.205 4.320 0.014 0.000 0.205 382 K C -0.253 176.371 176.600 0.040 0.000 1.050 382 K CA 1.007 57.309 56.287 0.024 0.000 0.938 382 K CB 0.360 32.860 32.500 0.000 0.000 0.718 382 K HN -0.021 nan 8.250 nan 0.000 0.442 383 D N -1.088 119.348 120.400 0.059 0.000 2.452 383 D HA 0.042 4.690 4.640 0.014 0.000 0.226 383 D C 0.122 176.528 176.300 0.176 0.000 1.366 383 D CA -0.220 53.831 54.000 0.085 0.000 0.986 383 D CB 1.429 42.258 40.800 0.049 0.000 1.420 383 D HN 0.052 nan 8.370 nan 0.000 0.583 384 S N 2.538 118.356 115.700 0.197 0.000 2.447 384 S HA -0.085 4.393 4.470 0.014 0.000 0.233 384 S C 1.046 175.833 174.600 0.311 0.000 1.006 384 S CA 0.507 58.879 58.200 0.285 0.000 0.957 384 S CB 0.112 63.424 63.200 0.186 0.000 0.773 384 S HN 0.375 nan 8.310 nan 0.000 0.507 385 E N 0.974 121.299 120.200 0.209 0.000 2.437 385 E HA 0.296 4.655 4.350 0.014 0.000 0.189 385 E C -0.037 176.649 176.600 0.143 0.000 1.054 385 E CA -0.329 56.172 56.400 0.168 0.000 0.874 385 E CB -0.249 29.518 29.700 0.112 0.000 1.011 385 E HN 0.467 nan 8.360 nan 0.000 0.474 386 L N 1.784 123.114 121.223 0.178 0.000 2.628 386 L HA -0.077 4.272 4.340 0.014 0.000 0.274 386 L C 1.154 178.080 176.870 0.093 0.000 1.209 386 L CA 0.604 55.495 54.840 0.085 0.000 0.930 386 L CB 0.476 42.491 42.059 -0.073 0.000 1.183 386 L HN -0.013 nan 8.230 nan 0.000 0.492 387 E N 2.915 123.149 120.200 0.057 0.000 2.072 387 E HA -0.072 4.286 4.350 0.014 0.000 0.191 387 E C 0.272 176.904 176.600 0.053 0.000 0.985 387 E CA 0.946 57.383 56.400 0.060 0.000 0.801 387 E CB 0.100 29.848 29.700 0.080 0.000 0.750 387 E HN 0.667 nan 8.360 nan 0.000 0.452 388 N N -0.771 117.945 118.700 0.026 0.000 2.371 388 N HA 0.068 4.816 4.740 0.014 0.000 0.280 388 N C 0.199 175.624 175.510 -0.141 0.000 1.084 388 N CA -0.198 52.829 53.050 -0.038 0.000 0.892 388 N CB 1.494 39.957 38.487 -0.039 0.000 1.653 388 N HN -0.064 nan 8.380 nan 0.000 0.480 389 L N 2.302 123.365 121.223 -0.267 0.000 2.129 389 L HA -0.134 4.215 4.340 0.014 0.000 0.212 389 L C 2.053 178.723 176.870 -0.334 0.000 1.087 389 L CA 1.179 55.718 54.840 -0.500 0.000 0.757 389 L CB -0.133 41.428 42.059 -0.831 0.000 0.896 389 L HN 0.574 nan 8.230 nan 0.000 0.434 390 L N -0.501 120.604 121.223 -0.196 0.000 2.353 390 L HA -0.196 4.153 4.340 0.014 0.000 0.220 390 L C 2.013 178.937 176.870 0.090 0.000 1.133 390 L CA 0.888 55.717 54.840 -0.017 0.000 0.798 390 L CB -0.366 41.696 42.059 0.005 0.000 0.922 390 L HN 0.367 nan 8.230 nan 0.000 0.445 391 L N -1.026 120.235 121.223 0.062 0.000 2.592 391 L HA 0.075 4.424 4.340 0.014 0.000 0.227 391 L C 0.512 177.415 176.870 0.055 0.000 1.127 391 L CA -0.188 54.697 54.840 0.075 0.000 0.884 391 L CB -0.231 41.871 42.059 0.072 0.000 1.065 391 L HN 0.137 nan 8.230 nan 0.000 0.457 392 D N -0.534 119.910 120.400 0.074 0.000 2.255 392 D HA -0.000 4.648 4.640 0.014 0.000 0.249 392 D C 0.895 177.276 176.300 0.136 0.000 1.078 392 D CA -0.321 53.742 54.000 0.105 0.000 0.896 392 D CB 1.107 42.001 40.800 0.156 0.000 1.194 392 D HN -0.084 nan 8.370 nan 0.000 0.429 393 D N 1.809 122.253 120.400 0.074 0.000 2.149 393 D HA -0.257 4.392 4.640 0.014 0.000 0.194 393 D C 1.400 177.702 176.300 0.005 0.000 1.001 393 D CA 1.210 55.233 54.000 0.038 0.000 0.849 393 D CB -0.340 40.474 40.800 0.024 0.000 0.939 393 D HN 0.598 nan 8.370 nan 0.000 0.449 394 Y N 0.253 120.470 120.300 -0.137 0.000 2.145 394 Y HA -0.251 4.308 4.550 0.014 0.000 0.286 394 Y C 2.065 177.752 175.900 -0.355 0.000 1.145 394 Y CA 1.620 59.533 58.100 -0.311 0.000 1.148 394 Y CB -0.529 37.616 38.460 -0.526 0.000 0.981 394 Y HN -0.116 nan 8.280 nan 0.000 0.507 395 F N -1.223 118.691 119.950 -0.060 0.000 2.259 395 F HA -0.120 4.417 4.527 0.016 0.000 0.298 395 F C 2.340 178.040 175.800 -0.165 0.000 1.088 395 F CA 1.080 58.986 58.000 -0.158 0.000 1.358 395 F CB -1.018 37.948 39.000 -0.056 0.000 1.040 395 F HN -0.135 nan 8.300 nan 0.000 0.505 396 V N 0.549 120.506 119.914 0.071 0.000 2.282 396 V HA -0.362 3.767 4.120 0.014 0.000 0.249 396 V C 2.141 178.215 176.094 -0.034 0.000 1.057 396 V CA 2.419 64.748 62.300 0.048 0.000 1.032 396 V CB -0.677 31.176 31.823 0.050 0.000 0.645 396 V HN 0.322 nan 8.190 nan 0.000 0.447 397 D N -0.230 120.092 120.400 -0.130 0.000 2.092 397 D HA -0.185 4.464 4.640 0.014 0.000 0.193 397 D C 2.019 178.163 176.300 -0.260 0.000 0.994 397 D CA 1.502 55.394 54.000 -0.181 0.000 0.828 397 D CB -0.105 40.561 40.800 -0.223 0.000 0.963 397 D HN 0.255 nan 8.370 nan 0.000 0.450 398 I N 1.104 121.411 120.570 -0.439 0.000 2.127 398 I HA -0.248 3.931 4.170 0.014 0.000 0.241 398 I C 2.649 178.577 176.117 -0.314 0.000 1.075 398 I CA 1.902 62.859 61.300 -0.572 0.000 1.334 398 I CB -1.923 35.695 38.000 -0.638 0.000 1.040 398 I HN 0.333 nan 8.210 nan 0.000 0.405 399 T N -0.802 113.667 114.554 -0.142 0.000 2.788 399 T HA -0.242 4.116 4.350 0.014 0.000 0.268 399 T C 1.925 176.669 174.700 0.073 0.000 1.044 399 T CA 1.522 63.632 62.100 0.018 0.000 1.139 399 T CB -0.373 68.430 68.868 -0.108 0.000 0.867 399 T HN 0.336 nan 8.240 nan 0.000 0.454 400 K N 1.109 121.537 120.400 0.047 0.000 2.009 400 K HA -0.110 4.219 4.320 0.014 0.000 0.210 400 K C 2.610 179.247 176.600 0.063 0.000 1.049 400 K CA 1.215 57.544 56.287 0.070 0.000 0.929 400 K CB -0.121 32.403 32.500 0.040 0.000 0.714 400 K HN 0.327 nan 8.250 nan 0.000 0.440 401 R N -1.292 119.240 120.500 0.053 0.000 2.200 401 R HA -0.030 4.318 4.340 0.014 0.000 0.208 401 R C 1.498 177.976 176.300 0.297 0.000 1.033 401 R CA 0.636 56.818 56.100 0.135 0.000 1.000 401 R CB 0.104 30.477 30.300 0.122 0.000 0.906 401 R HN 0.276 nan 8.270 nan 0.000 0.462 402 Y N 1.061 121.344 120.300 -0.028 0.000 2.458 402 Y HA 0.028 4.587 4.550 0.014 0.000 0.254 402 Y C 2.211 177.957 175.900 -0.256 0.000 1.120 402 Y CA -0.117 57.939 58.100 -0.074 0.000 1.282 402 Y CB -0.079 38.407 38.460 0.043 0.000 1.109 402 Y HN 0.133 nan 8.280 nan 0.000 0.526 403 Q N 0.244 119.965 119.800 -0.131 0.000 2.167 403 Q HA -0.199 4.149 4.340 0.014 0.000 0.202 403 Q C 1.764 177.595 176.000 -0.281 0.000 0.970 403 Q CA 1.786 57.331 55.803 -0.431 0.000 0.855 403 Q CB -0.356 28.216 28.738 -0.277 0.000 0.911 403 Q HN 0.489 nan 8.270 nan 0.000 0.438 404 E N 1.139 121.257 120.200 -0.137 0.000 2.051 404 E HA -0.212 4.147 4.350 0.014 0.000 0.192 404 E C 2.010 178.532 176.600 -0.130 0.000 0.991 404 E CA 1.318 57.658 56.400 -0.099 0.000 0.799 404 E CB -0.244 29.426 29.700 -0.050 0.000 0.748 404 E HN 0.495 nan 8.360 nan 0.000 0.449 405 A N 0.362 123.085 122.820 -0.161 0.000 1.908 405 A HA -0.168 4.161 4.320 0.014 0.000 0.218 405 A C 2.417 179.875 177.584 -0.209 0.000 1.181 405 A CA 1.638 53.568 52.037 -0.178 0.000 0.627 405 A CB -0.757 18.103 19.000 -0.234 0.000 0.818 405 A HN 0.235 nan 8.150 nan 0.000 0.445 406 V N 0.116 119.831 119.914 -0.331 0.000 2.295 406 V HA -0.297 3.831 4.120 0.014 0.000 0.246 406 V C 2.629 178.587 176.094 -0.226 0.000 1.049 406 V CA 2.303 64.368 62.300 -0.392 0.000 1.024 406 V CB -0.891 30.456 31.823 -0.794 0.000 0.648 406 V HN 0.550 nan 8.190 nan 0.000 0.447 407 R N 0.108 120.489 120.500 -0.199 0.000 2.091 407 R HA -0.186 4.163 4.340 0.014 0.000 0.238 407 R C 2.058 178.329 176.300 -0.048 0.000 1.136 407 R CA 1.865 57.910 56.100 -0.092 0.000 0.959 407 R CB -0.565 29.695 30.300 -0.068 0.000 0.856 407 R HN 0.523 nan 8.270 nan 0.000 0.437 408 D N 0.188 120.555 120.400 -0.055 0.000 2.117 408 D HA -0.138 4.511 4.640 0.014 0.000 0.197 408 D C 1.966 178.268 176.300 0.003 0.000 0.987 408 D CA 1.416 55.403 54.000 -0.020 0.000 0.829 408 D CB -0.354 40.431 40.800 -0.023 0.000 0.961 408 D HN 0.195 nan 8.370 nan 0.000 0.460 409 V N -0.439 119.472 119.914 -0.006 0.000 2.548 409 V HA -0.141 3.988 4.120 0.014 0.000 0.249 409 V C 2.139 178.280 176.094 0.079 0.000 1.055 409 V CA 1.098 63.426 62.300 0.046 0.000 1.065 409 V CB -0.466 31.405 31.823 0.080 0.000 0.681 409 V HN 0.017 nan 8.190 nan 0.000 0.462 410 V N 0.982 120.933 119.914 0.062 0.000 2.295 410 V HA -0.222 3.907 4.120 0.014 0.000 0.246 410 V C 2.899 179.027 176.094 0.057 0.000 1.049 410 V CA 2.588 64.935 62.300 0.079 0.000 1.024 410 V CB -0.932 30.928 31.823 0.063 0.000 0.648 410 V HN 0.657 nan 8.190 nan 0.000 0.447 411 S N -0.117 115.606 115.700 0.038 0.000 2.359 411 S HA -0.242 4.237 4.470 0.014 0.000 0.223 411 S C 1.896 176.522 174.600 0.043 0.000 1.039 411 S CA 2.075 60.296 58.200 0.035 0.000 1.042 411 S CB -0.525 62.690 63.200 0.025 0.000 0.915 411 S HN 0.431 nan 8.310 nan 0.000 0.439 412 L N 1.658 122.912 121.223 0.052 0.000 1.990 412 L HA -0.147 4.202 4.340 0.014 0.000 0.213 412 L C 2.383 179.284 176.870 0.053 0.000 1.072 412 L CA 2.140 57.020 54.840 0.067 0.000 0.755 412 L CB -0.941 41.169 42.059 0.084 0.000 0.889 412 L HN 0.278 nan 8.230 nan 0.000 0.432 413 A N -1.519 121.329 122.820 0.046 0.000 1.898 413 A HA -0.128 4.201 4.320 0.014 0.000 0.216 413 A C 2.237 179.836 177.584 0.026 0.000 1.181 413 A CA 1.920 53.974 52.037 0.029 0.000 0.620 413 A CB -1.023 17.998 19.000 0.036 0.000 0.819 413 A HN 0.316 nan 8.150 nan 0.000 0.442 414 V N -0.032 119.903 119.914 0.035 0.000 2.358 414 V HA -0.218 3.910 4.120 0.014 0.000 0.246 414 V C 2.660 178.768 176.094 0.025 0.000 1.047 414 V CA 1.861 64.178 62.300 0.030 0.000 1.035 414 V CB -0.720 31.124 31.823 0.035 0.000 0.658 414 V HN 0.524 nan 8.190 nan 0.000 0.452 415 Q N -0.014 119.803 119.800 0.029 0.000 2.170 415 Q HA -0.093 4.256 4.340 0.014 0.000 0.203 415 Q C 2.299 178.314 176.000 0.026 0.000 0.976 415 Q CA 1.791 57.610 55.803 0.027 0.000 0.858 415 Q CB -0.508 28.248 28.738 0.030 0.000 0.907 415 Q HN 0.662 nan 8.270 nan 0.000 0.433 416 A N -0.527 122.311 122.820 0.029 0.000 2.123 416 A HA 0.284 4.613 4.320 0.014 0.000 0.214 416 A C 1.550 179.140 177.584 0.010 0.000 1.152 416 A CA 1.171 53.223 52.037 0.025 0.000 0.728 416 A CB -0.098 18.920 19.000 0.030 0.000 0.814 416 A HN 0.424 nan 8.150 nan 0.000 0.464 417 G N -1.423 107.382 108.800 0.007 0.000 2.132 417 G HA2 -0.199 3.769 3.960 0.014 0.000 0.234 417 G HA3 -0.199 3.769 3.960 0.014 0.000 0.234 417 G C 0.250 175.145 174.900 -0.009 0.000 0.989 417 G CA 0.343 45.443 45.100 0.001 0.000 0.676 417 G HN 0.623 nan 8.290 nan 0.000 0.522 418 T N 3.443 117.988 114.554 -0.015 0.000 2.780 418 T HA 0.514 4.873 4.350 0.014 0.000 0.294 418 T C -1.921 172.762 174.700 -0.028 0.000 0.949 418 T CA -0.656 61.424 62.100 -0.032 0.000 1.074 418 T CB 1.943 70.778 68.868 -0.054 0.000 0.910 418 T HN 0.214 nan 8.240 nan 0.000 0.501 419 P HA 0.241 nan 4.420 nan 0.000 0.271 419 P C -0.323 176.950 177.300 -0.045 0.000 1.233 419 P CA -0.250 62.837 63.100 -0.022 0.000 0.764 419 P CB 0.032 31.723 31.700 -0.015 0.000 0.825 420 I N 1.627 122.183 120.570 -0.023 0.000 2.948 420 I HA 0.332 4.511 4.170 0.014 0.000 0.308 420 I C -1.948 174.197 176.117 0.047 0.000 1.478 420 I CA -2.555 58.718 61.300 -0.044 0.000 0.843 420 I CB 1.691 39.661 38.000 -0.049 0.000 2.100 420 I HN 0.023 nan 8.210 nan 0.000 0.625 421 P HA -0.199 nan 4.420 nan 0.000 0.215 421 P C 1.522 178.898 177.300 0.127 0.000 1.153 421 P CA 2.279 65.429 63.100 0.082 0.000 0.853 421 P CB 0.076 31.818 31.700 0.071 0.000 0.788 422 T N -4.259 110.380 114.554 0.141 0.000 2.937 422 T HA -0.041 4.318 4.350 0.014 0.000 0.260 422 T C 1.799 176.707 174.700 0.347 0.000 1.051 422 T CA 0.452 62.676 62.100 0.207 0.000 1.141 422 T CB -1.131 67.847 68.868 0.185 0.000 0.879 422 T HN -0.211 nan 8.240 nan 0.000 0.459 423 F N 3.311 123.316 119.950 0.093 0.000 2.095 423 F HA -0.068 4.467 4.527 0.014 0.000 0.298 423 F C 3.068 178.931 175.800 0.105 0.000 1.104 423 F CA 1.385 59.445 58.000 0.100 0.000 1.232 423 F CB -1.514 37.528 39.000 0.070 0.000 0.987 423 F HN 0.415 nan 8.300 nan 0.000 0.475 424 T N -2.460 112.264 114.554 0.284 0.000 2.788 424 T HA -0.180 4.178 4.350 0.014 0.000 0.268 424 T C 2.221 177.034 174.700 0.188 0.000 1.044 424 T CA 1.432 63.647 62.100 0.191 0.000 1.139 424 T CB -1.022 67.930 68.868 0.140 0.000 0.867 424 T HN 0.314 nan 8.240 nan 0.000 0.454 425 S N 2.251 118.067 115.700 0.193 0.000 2.402 425 S HA 0.117 4.595 4.470 0.014 0.000 0.229 425 S C 2.430 177.172 174.600 0.236 0.000 1.021 425 S CA 0.831 59.144 58.200 0.189 0.000 0.974 425 S CB -0.855 62.438 63.200 0.154 0.000 0.800 425 S HN 0.740 nan 8.310 nan 0.000 0.484 426 A N 1.572 124.543 122.820 0.251 0.000 1.873 426 A HA 0.089 4.417 4.320 0.014 0.000 0.215 426 A C 2.192 180.041 177.584 0.442 0.000 1.186 426 A CA 1.475 53.698 52.037 0.309 0.000 0.616 426 A CB -0.874 18.296 19.000 0.283 0.000 0.823 426 A HN 0.551 nan 8.150 nan 0.000 0.442 427 I N 0.060 120.842 120.570 0.354 0.000 2.315 427 I HA -0.144 4.035 4.170 0.014 0.000 0.248 427 I C 2.469 178.782 176.117 0.326 0.000 1.117 427 I CA 1.719 63.223 61.300 0.340 0.000 1.404 427 I CB -0.262 37.820 38.000 0.137 0.000 1.071 427 I HN 0.239 nan 8.210 nan 0.000 0.419 428 S N -0.275 115.581 115.700 0.259 0.000 2.359 428 S HA -0.273 4.206 4.470 0.014 0.000 0.224 428 S C 1.974 176.722 174.600 0.248 0.000 1.035 428 S CA 1.822 60.152 58.200 0.216 0.000 1.018 428 S CB -0.755 62.555 63.200 0.184 0.000 0.876 428 S HN 0.632 nan 8.310 nan 0.000 0.448 429 Y N 1.012 121.422 120.300 0.183 0.000 2.145 429 Y HA -0.234 4.325 4.550 0.015 0.000 0.286 429 Y C 2.273 178.302 175.900 0.215 0.000 1.145 429 Y CA 1.633 59.834 58.100 0.167 0.000 1.148 429 Y CB -0.762 37.775 38.460 0.128 0.000 0.981 429 Y HN 0.287 nan 8.280 nan 0.000 0.507 430 Y N 1.326 121.731 120.300 0.174 0.000 2.128 430 Y HA -0.274 4.284 4.550 0.014 0.000 0.284 430 Y C 2.079 178.025 175.900 0.077 0.000 1.154 430 Y CA 2.344 60.515 58.100 0.118 0.000 1.149 430 Y CB -0.627 38.048 38.460 0.357 0.000 0.976 430 Y HN 0.194 nan 8.280 nan 0.000 0.505 431 D N -1.022 119.433 120.400 0.092 0.000 2.224 431 D HA -0.111 4.538 4.640 0.014 0.000 0.205 431 D C 2.293 178.547 176.300 -0.077 0.000 0.965 431 D CA 1.318 55.304 54.000 -0.022 0.000 0.852 431 D CB -0.089 40.765 40.800 0.090 0.000 0.947 431 D HN 0.324 nan 8.370 nan 0.000 0.494 432 S N -0.216 115.455 115.700 -0.048 0.000 2.345 432 S HA -0.136 4.342 4.470 0.014 0.000 0.219 432 S C 1.813 176.337 174.600 -0.127 0.000 1.031 432 S CA 0.277 58.441 58.200 -0.060 0.000 0.984 432 S CB -0.341 62.858 63.200 -0.001 0.000 0.874 432 S HN 0.276 nan 8.310 nan 0.000 0.451 433 Y N 3.309 123.387 120.300 -0.370 0.000 2.193 433 Y HA -0.201 4.358 4.550 0.014 0.000 0.285 433 Y C 2.259 177.981 175.900 -0.297 0.000 1.166 433 Y CA 1.867 59.726 58.100 -0.401 0.000 1.181 433 Y CB -0.157 37.918 38.460 -0.642 0.000 0.976 433 Y HN 0.232 nan 8.280 nan 0.000 0.520 434 R N -0.663 119.632 120.500 -0.342 0.000 2.317 434 R HA 0.197 4.546 4.340 0.014 0.000 0.208 434 R C 0.132 176.281 176.300 -0.253 0.000 0.914 434 R CA 0.439 56.329 56.100 -0.351 0.000 1.060 434 R CB -0.321 29.736 30.300 -0.406 0.000 1.015 434 R HN 0.060 nan 8.270 nan 0.000 0.498 435 S N 2.163 117.737 115.700 -0.211 0.000 2.422 435 S HA 0.009 4.487 4.470 0.014 0.000 0.283 435 S C 0.638 175.150 174.600 -0.145 0.000 1.163 435 S CA -0.439 57.676 58.200 -0.143 0.000 1.054 435 S CB 1.486 64.627 63.200 -0.098 0.000 0.967 435 S HN 0.374 nan 8.310 nan 0.000 0.499 436 E N 3.761 123.887 120.200 -0.123 0.000 2.097 436 E HA -0.190 4.168 4.350 0.014 0.000 0.196 436 E C -0.276 176.276 176.600 -0.080 0.000 1.000 436 E CA 1.057 57.394 56.400 -0.105 0.000 0.804 436 E CB 0.136 29.787 29.700 -0.081 0.000 0.740 436 E HN 0.661 nan 8.360 nan 0.000 0.454 437 N N -0.092 118.569 118.700 -0.065 0.000 2.372 437 N HA 0.363 5.111 4.740 0.014 0.000 0.285 437 N C -1.251 174.233 175.510 -0.044 0.000 1.008 437 N CA -0.427 52.594 53.050 -0.048 0.000 0.880 437 N CB 2.139 40.602 38.487 -0.039 0.000 1.239 437 N HN -0.050 nan 8.380 nan 0.000 0.484 438 L N 2.182 123.384 121.223 -0.035 0.000 2.332 438 L HA 0.588 4.937 4.340 0.014 0.000 0.269 438 L C -1.335 175.524 176.870 -0.018 0.000 1.016 438 L CA -1.817 53.008 54.840 -0.025 0.000 0.809 438 L CB 1.663 43.712 42.059 -0.018 0.000 1.280 438 L HN 0.479 nan 8.230 nan 0.000 0.447 439 P HA 0.050 nan 4.420 nan 0.000 0.258 439 P C 0.566 177.858 177.300 -0.013 0.000 1.403 439 P CA 0.097 63.187 63.100 -0.017 0.000 0.826 439 P CB 0.309 31.999 31.700 -0.017 0.000 1.414 440 A N 1.752 124.570 122.820 -0.004 0.000 2.172 440 A HA -0.178 4.151 4.320 0.014 0.000 0.216 440 A C 2.112 179.701 177.584 0.008 0.000 1.154 440 A CA 1.241 53.283 52.037 0.007 0.000 0.701 440 A CB -0.986 18.025 19.000 0.018 0.000 0.789 440 A HN 0.351 nan 8.150 nan 0.000 0.465 441 N N 0.550 119.246 118.700 -0.006 0.000 2.120 441 N HA -0.170 4.579 4.740 0.014 0.000 0.188 441 N C 1.540 177.028 175.510 -0.036 0.000 1.024 441 N CA 1.699 54.737 53.050 -0.020 0.000 0.852 441 N CB -0.778 37.688 38.487 -0.036 0.000 1.003 441 N HN 0.376 nan 8.380 nan 0.000 0.424 442 L N 0.939 122.137 121.223 -0.041 0.000 2.056 442 L HA 0.090 4.438 4.340 0.014 0.000 0.207 442 L C 2.333 179.170 176.870 -0.056 0.000 1.078 442 L CA 1.114 55.918 54.840 -0.060 0.000 0.749 442 L CB -0.625 41.397 42.059 -0.061 0.000 0.901 442 L HN 0.106 nan 8.230 nan 0.000 0.433 443 I N -0.732 119.821 120.570 -0.029 0.000 2.163 443 I HA -0.313 3.866 4.170 0.014 0.000 0.243 443 I C 2.515 178.645 176.117 0.022 0.000 1.085 443 I CA 1.075 62.367 61.300 -0.012 0.000 1.347 443 I CB -0.448 37.553 38.000 0.001 0.000 1.044 443 I HN 0.362 nan 8.210 nan 0.000 0.408 444 Q N 0.450 120.277 119.800 0.046 0.000 2.135 444 Q HA -0.185 4.163 4.340 0.014 0.000 0.204 444 Q C 2.454 178.532 176.000 0.130 0.000 0.981 444 Q CA 1.901 57.773 55.803 0.115 0.000 0.856 444 Q CB -0.497 28.320 28.738 0.131 0.000 0.902 444 Q HN 0.604 nan 8.270 nan 0.000 0.425 445 A N 0.912 123.747 122.820 0.024 0.000 1.877 445 A HA -0.240 4.088 4.320 0.014 0.000 0.216 445 A C 2.121 179.612 177.584 -0.155 0.000 1.186 445 A CA 1.613 53.634 52.037 -0.027 0.000 0.620 445 A CB -0.556 18.386 19.000 -0.096 0.000 0.822 445 A HN 0.401 nan 8.150 nan 0.000 0.443 446 Q N -0.624 119.096 119.800 -0.134 0.000 2.061 446 Q HA -0.198 4.151 4.340 0.014 0.000 0.204 446 Q C 2.349 178.391 176.000 0.071 0.000 0.984 446 Q CA 1.829 57.560 55.803 -0.121 0.000 0.846 446 Q CB -0.224 28.448 28.738 -0.111 0.000 0.902 446 Q HN 0.616 nan 8.270 nan 0.000 0.421 447 R N 0.287 120.875 120.500 0.148 0.000 2.096 447 R HA -0.161 4.187 4.340 0.014 0.000 0.235 447 R C 1.773 178.337 176.300 0.440 0.000 1.127 447 R CA 1.527 57.820 56.100 0.321 0.000 0.968 447 R CB -0.163 30.290 30.300 0.255 0.000 0.861 447 R HN 0.267 nan 8.270 nan 0.000 0.440 448 D N -0.453 120.180 120.400 0.389 0.000 2.162 448 D HA -0.155 4.494 4.640 0.014 0.000 0.203 448 D C 1.627 178.168 176.300 0.401 0.000 0.967 448 D CA 0.701 55.027 54.000 0.542 0.000 0.840 448 D CB 0.013 41.318 40.800 0.842 0.000 0.972 448 D HN 0.148 nan 8.370 nan 0.000 0.482 449 Y N -0.449 119.709 120.300 -0.238 0.000 2.114 449 Y HA -0.167 4.392 4.550 0.014 0.000 0.284 449 Y C 1.864 177.803 175.900 0.065 0.000 1.143 449 Y CA 1.689 59.423 58.100 -0.610 0.000 1.135 449 Y CB -0.508 37.374 38.460 -0.963 0.000 0.980 449 Y HN 0.057 nan 8.280 nan 0.000 0.499 450 F N -0.552 119.557 119.950 0.265 0.000 2.335 450 F HA 0.190 4.725 4.527 0.013 0.000 0.296 450 F C 2.023 177.918 175.800 0.158 0.000 1.091 450 F CA 1.427 59.580 58.000 0.254 0.000 1.399 450 F CB -0.006 39.126 39.000 0.219 0.000 1.067 450 F HN 0.032 nan 8.300 nan 0.000 0.520 451 G N -1.408 107.536 108.800 0.239 0.000 3.695 451 G HA2 0.377 4.345 3.960 0.014 0.000 0.277 451 G HA3 0.377 4.345 3.960 0.014 0.000 0.277 451 G C 0.617 175.322 174.900 -0.325 0.000 1.001 451 G CA 0.123 45.171 45.100 -0.087 0.000 0.837 451 G HN 0.598 nan 8.290 nan 0.000 0.492 452 A N 0.569 123.403 122.820 0.024 0.000 2.783 452 A HA -0.240 4.089 4.320 0.014 0.000 0.292 452 A C 1.254 178.821 177.584 -0.027 0.000 1.495 452 A CA 1.131 53.199 52.037 0.051 0.000 0.787 452 A CB -2.377 16.490 19.000 -0.223 0.000 1.017 452 A HN 0.556 nan 8.150 nan 0.000 0.516 453 H N 0.210 119.426 119.070 0.242 0.000 2.555 453 H HA 0.107 4.672 4.556 0.015 0.000 0.269 453 H C 1.439 176.882 175.328 0.192 0.000 0.988 453 H CA 2.233 58.389 56.048 0.181 0.000 1.178 453 H CB -0.199 29.672 29.762 0.181 0.000 1.373 453 H HN 1.636 nan 8.280 nan 0.000 0.588 454 T N -1.271 113.506 114.554 0.371 0.000 0.541 454 T HA -0.199 4.160 4.350 0.014 0.000 0.774 454 T C -0.654 174.248 174.700 0.336 0.000 0.992 454 T CA 0.462 62.718 62.100 0.260 0.000 4.077 454 T CB -1.368 67.552 68.868 0.087 0.000 2.303 454 T HN 0.554 nan 8.240 nan 0.000 0.398 455 Y N -1.206 119.266 120.300 0.288 0.000 2.655 455 Y HA 0.875 5.434 4.550 0.014 0.000 0.336 455 Y C -0.289 175.776 175.900 0.275 0.000 1.154 455 Y CA -1.446 56.802 58.100 0.248 0.000 1.055 455 Y CB 0.929 39.535 38.460 0.242 0.000 1.295 455 Y HN 0.957 nan 8.280 nan 0.000 0.465 456 E N 1.093 121.549 120.200 0.427 0.000 2.250 456 E HA 0.586 4.945 4.350 0.014 0.000 0.265 456 E C -1.005 175.857 176.600 0.436 0.000 1.033 456 E CA -1.240 55.395 56.400 0.392 0.000 0.888 456 E CB 1.476 31.320 29.700 0.239 0.000 1.151 456 E HN 0.496 nan 8.360 nan 0.000 0.412 457 R N -0.212 120.472 120.500 0.306 0.000 2.732 457 R HA 0.205 4.553 4.340 0.014 0.000 0.278 457 R C 1.001 177.343 176.300 0.070 0.000 0.976 457 R CA -0.193 55.972 56.100 0.110 0.000 0.963 457 R CB 1.255 31.453 30.300 -0.170 0.000 1.150 457 R HN 0.690 nan 8.270 nan 0.000 0.478 458 T N -2.879 111.686 114.554 0.019 0.000 2.995 458 T HA -0.111 4.248 4.350 0.014 0.000 0.269 458 T C 0.954 175.657 174.700 0.005 0.000 1.091 458 T CA 1.330 63.437 62.100 0.011 0.000 1.128 458 T CB -0.083 68.779 68.868 -0.010 0.000 0.891 458 T HN 0.690 nan 8.240 nan 0.000 0.492 459 D N 1.067 121.460 120.400 -0.011 0.000 2.417 459 D HA 0.136 4.784 4.640 0.014 0.000 0.207 459 D C 0.517 176.823 176.300 0.010 0.000 1.075 459 D CA -0.143 53.850 54.000 -0.012 0.000 0.851 459 D CB 0.051 40.831 40.800 -0.034 0.000 0.976 459 D HN 0.715 nan 8.370 nan 0.000 0.505 460 K N -0.915 119.505 120.400 0.034 0.000 2.568 460 K HA 0.708 5.037 4.320 0.014 0.000 0.273 460 K C -1.103 175.608 176.600 0.186 0.000 0.951 460 K CA -1.101 55.242 56.287 0.095 0.000 0.854 460 K CB 1.732 34.295 32.500 0.104 0.000 1.424 460 K HN -0.078 nan 8.250 nan 0.000 0.427 461 A N 0.811 123.736 122.820 0.174 0.000 2.386 461 A HA 0.711 5.039 4.320 0.014 0.000 0.246 461 A C 0.674 178.398 177.584 0.234 0.000 1.089 461 A CA 0.761 52.900 52.037 0.169 0.000 0.790 461 A CB -0.526 18.528 19.000 0.089 0.000 1.042 461 A HN 1.535 nan 8.150 nan 0.000 0.497 462 G N -1.097 107.764 108.800 0.102 0.000 2.497 462 G HA2 0.198 4.167 3.960 0.014 0.000 0.686 462 G HA3 0.198 4.167 3.960 0.014 0.000 0.686 462 G C -0.873 173.871 174.900 -0.261 0.000 1.288 462 G CA -0.439 44.560 45.100 -0.168 0.000 0.899 462 G HN 0.961 nan 8.290 nan 0.000 0.608 463 I N 0.255 120.535 120.570 -0.484 0.000 2.359 463 I HA 0.675 4.854 4.170 0.014 0.000 0.294 463 I C -0.279 175.426 176.117 -0.688 0.000 0.987 463 I CA -0.583 60.505 61.300 -0.354 0.000 1.225 463 I CB 1.182 39.069 38.000 -0.187 0.000 1.366 463 I HN 0.361 nan 8.210 nan 0.000 0.466 464 F N 3.992 123.762 119.950 -0.300 0.000 2.577 464 F HA 0.502 5.038 4.527 0.014 0.000 0.318 464 F C -0.021 175.422 175.800 -0.595 0.000 1.065 464 F CA -0.672 57.066 58.000 -0.436 0.000 0.929 464 F CB 1.619 40.327 39.000 -0.487 0.000 1.237 464 F HN 0.395 nan 8.300 nan 0.000 0.468 465 H N 1.343 120.310 119.070 -0.171 0.000 2.771 465 H HA 0.307 4.872 4.556 0.015 0.000 0.361 465 H C -2.002 173.425 175.328 0.165 0.000 1.108 465 H CA -0.623 55.427 56.048 0.003 0.000 1.201 465 H CB 1.958 31.748 29.762 0.046 0.000 1.681 465 H HN 0.731 nan 8.280 nan 0.000 0.534 466 Y N 3.071 123.076 120.300 -0.492 0.000 2.361 466 Y HA 0.130 4.688 4.550 0.014 0.000 0.332 466 Y C -0.185 175.140 175.900 -0.958 0.000 1.101 466 Y CA -0.507 57.183 58.100 -0.683 0.000 1.137 466 Y CB 1.206 39.071 38.460 -0.991 0.000 1.207 466 Y HN 0.633 nan 8.280 nan 0.000 0.463 467 D N 4.615 124.419 120.400 -0.993 0.000 2.468 467 D HA 0.052 4.701 4.640 0.014 0.000 0.218 467 D C -0.439 175.579 176.300 -0.470 0.000 1.155 467 D CA -0.159 53.516 54.000 -0.541 0.000 0.924 467 D CB -0.065 40.504 40.800 -0.385 0.000 1.029 467 D HN 0.618 nan 8.370 nan 0.000 0.515 468 W N 2.545 123.749 121.300 -0.160 0.000 3.180 468 W HA 0.098 4.767 4.660 0.015 0.000 0.254 468 W C 0.015 176.182 176.519 -0.587 0.000 1.318 468 W CA -0.296 56.863 57.345 -0.310 0.000 1.608 468 W CB -0.059 28.992 29.460 -0.682 0.000 1.124 468 W HN 0.299 nan 8.180 nan 0.000 0.694 469 Y N -0.407 119.954 120.300 0.102 0.000 3.013 469 Y HA 0.890 5.448 4.550 0.014 0.000 0.310 469 Y C 0.882 176.793 175.900 0.018 0.000 1.450 469 Y CA -0.460 57.671 58.100 0.051 0.000 1.091 469 Y CB 0.371 38.837 38.460 0.010 0.000 1.373 469 Y HN -0.308 nan 8.280 nan 0.000 0.590 470 T N 0.000 114.680 114.554 0.209 0.000 3.816 470 T HA 0.000 4.359 4.350 0.014 0.000 0.228 470 T CA 0.000 nan 62.100 nan 0.000 1.349 470 T CB 0.000 nan 68.868 nan 0.000 0.612 470 T HN 0.000 nan 8.240 nan 0.000 0.658