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 1xzp_1_A DATA FIRST_RESID -5 DATA SEQUENCE SSVDKLMDTI VAVATPPGKG AIAILRLSGP DSWKIVQKHL RTRSKIVPRK DATA SEQUENCE AIHGWIHENG EDVDEVVVVF YKSPKSYTGE DMVEVMCHGG PLVVKKLLDL DATA SEQUENCE FLKSGARMAE PGEFTKRAFL NGKMDLTSAE AVRDLIEAKS ETSLKLSLRN DATA SEQUENCE LKGGLRDFVD SLRRELIEVL AEIRVELDYP DEIETNTGEV VTRLERIKEK DATA SEQUENCE LTEELKKADA GILLNRGLRM VIVGKPNVGK STLLNRLLNE DRAIVTDIPG DATA SEQUENCE TTRDVISEEI VIRGILFRIV DTAGVRSETN DLVERLGIER TLQEIEKADI DATA SEQUENCE VLFVLDASSP LDEEDRKILE RIKNKRYLVV INKVDVVEKI NEEEIKNKLG DATA SEQUENCE TDRHMVKISA LKGEGLEKLE ESIYRETQEI FERGSDSLIT NLRQKQLLEN DATA SEQUENCE VKGHLEDAIK SLKEGMPVDM ASIDLERALN LLDEVTGRSF REDLLDTIFS DATA SEQUENCE NFCVGK 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 -5 S HA 0.000 nan 4.470 nan 0.000 0.327 -5 S C 0.000 174.578 174.600 -0.037 0.000 1.055 -5 S CA 0.000 58.181 58.200 -0.032 0.000 1.107 -5 S CB 0.000 63.179 63.200 -0.035 0.000 0.593 -4 S N 1.186 116.863 115.700 -0.038 0.000 2.577 -4 S HA 0.613 5.083 4.470 0.000 0.000 0.239 -4 S C 0.604 175.173 174.600 -0.051 0.000 1.236 -4 S CA 0.027 58.201 58.200 -0.042 0.000 1.233 -4 S CB -0.839 62.338 63.200 -0.038 0.000 0.908 -4 S HN 1.827 nan 8.310 nan 0.000 0.493 -3 V N -1.309 118.572 119.914 -0.054 0.000 2.785 -3 V HA 0.566 4.686 4.120 0.000 0.000 0.300 -3 V C -0.296 175.761 176.094 -0.062 0.000 1.062 -3 V CA -0.919 61.343 62.300 -0.064 0.000 1.029 -3 V CB 1.272 33.058 31.823 -0.063 0.000 1.024 -3 V HN 0.277 nan 8.190 nan 0.000 0.477 -2 D N 2.721 123.080 120.400 -0.069 0.000 2.382 -2 D HA 0.197 4.837 4.640 0.000 0.000 0.259 -2 D C 0.644 176.908 176.300 -0.060 0.000 1.224 -2 D CA 0.376 54.339 54.000 -0.061 0.000 0.894 -2 D CB 0.804 41.565 40.800 -0.065 0.000 1.127 -2 D HN 0.716 nan 8.370 nan 0.000 0.487 -1 K N 3.262 123.630 120.400 -0.052 0.000 2.437 -1 K HA 0.124 4.444 4.320 0.000 0.000 0.205 -1 K C 0.672 177.245 176.600 -0.044 0.000 1.026 -1 K CA -0.121 56.135 56.287 -0.051 0.000 1.153 -1 K CB 0.633 33.102 32.500 -0.051 0.000 0.863 -1 K HN 0.338 nan 8.250 nan 0.000 0.502 0 L N 0.136 121.333 121.223 -0.043 0.000 2.513 0 L HA 0.196 4.536 4.340 0.000 0.000 0.222 0 L C 0.755 177.602 176.870 -0.038 0.000 1.096 0 L CA 0.370 55.188 54.840 -0.036 0.000 0.857 0 L CB -0.024 42.016 42.059 -0.032 0.000 1.026 0 L HN 0.236 nan 8.230 nan 0.000 0.469 1 M N 0.285 119.856 119.600 -0.048 0.000 2.202 1 M HA 0.188 4.668 4.480 0.000 0.000 0.316 1 M C 0.061 176.331 176.300 -0.050 0.000 1.138 1 M CA -0.599 54.669 55.300 -0.053 0.000 1.151 1 M CB 0.395 32.951 32.600 -0.073 0.000 1.422 1 M HN 0.225 nan 8.290 nan 0.000 0.471 2 D N 0.103 120.473 120.400 -0.049 0.000 2.384 2 D HA 0.222 4.862 4.640 0.000 0.000 0.244 2 D C -0.791 175.478 176.300 -0.051 0.000 1.251 2 D CA -0.369 53.608 54.000 -0.040 0.000 0.961 2 D CB -0.142 40.639 40.800 -0.031 0.000 1.116 2 D HN 0.566 nan 8.370 nan 0.000 0.484 3 T N -0.124 114.410 114.554 -0.033 0.000 2.806 3 T HA 0.465 4.815 4.350 0.000 0.000 0.290 3 T C 0.197 174.868 174.700 -0.047 0.000 0.966 3 T CA -0.660 61.419 62.100 -0.034 0.000 1.060 3 T CB 0.044 68.910 68.868 -0.003 0.000 0.927 3 T HN 0.410 nan 8.240 nan 0.000 0.485 4 I N 0.821 121.337 120.570 -0.090 0.000 2.607 4 I HA 0.922 5.092 4.170 0.000 0.000 0.305 4 I C -0.609 175.505 176.117 -0.004 0.000 0.995 4 I CA -1.116 60.117 61.300 -0.112 0.000 1.148 4 I CB 1.685 39.497 38.000 -0.313 0.000 1.323 4 I HN 0.363 nan 8.210 nan 0.000 0.461 5 V N 3.641 123.600 119.914 0.075 0.000 3.114 5 V HA 0.998 5.118 4.120 0.000 0.000 0.308 5 V C -0.995 175.243 176.094 0.240 0.000 1.168 5 V CA 0.098 62.509 62.300 0.186 0.000 1.015 5 V CB 1.975 33.867 31.823 0.115 0.000 1.050 5 V HN 1.367 nan 8.190 nan 0.000 0.433 6 A N 3.388 126.360 122.820 0.253 0.000 2.583 6 A HA 0.679 4.999 4.320 0.000 0.000 0.292 6 A C -1.509 176.130 177.584 0.092 0.000 1.045 6 A CA -0.302 51.851 52.037 0.194 0.000 0.672 6 A CB 1.368 20.547 19.000 0.300 0.000 1.283 6 A HN 1.290 nan 8.150 nan 0.000 0.419 7 V N 1.826 121.779 119.914 0.064 0.000 2.427 7 V HA 0.427 4.547 4.120 0.000 0.000 0.268 7 V C 1.382 177.460 176.094 -0.027 0.000 1.046 7 V CA 0.737 63.048 62.300 0.018 0.000 0.970 7 V CB 0.635 32.473 31.823 0.025 0.000 1.001 7 V HN 1.438 nan 8.190 nan 0.000 0.476 8 A N 4.088 126.855 122.820 -0.088 0.000 2.081 8 A HA 0.111 4.431 4.320 0.000 0.000 0.214 8 A C 1.307 178.829 177.584 -0.103 0.000 1.158 8 A CA 0.814 52.764 52.037 -0.145 0.000 0.724 8 A CB -0.218 18.636 19.000 -0.243 0.000 0.826 8 A HN 0.784 nan 8.150 nan 0.000 0.463 9 T N -1.178 113.331 114.554 -0.075 0.000 2.899 9 T HA 0.533 4.883 4.350 0.000 0.000 0.284 9 T C -2.722 171.953 174.700 -0.043 0.000 1.004 9 T CA -1.915 60.147 62.100 -0.064 0.000 1.043 9 T CB 0.681 69.512 68.868 -0.061 0.000 1.013 9 T HN -0.003 nan 8.240 nan 0.000 0.518 10 P HA 0.242 nan 4.420 nan 0.000 0.268 10 P C -2.140 175.148 177.300 -0.020 0.000 1.208 10 P CA -0.983 62.100 63.100 -0.027 0.000 0.777 10 P CB -0.438 31.243 31.700 -0.030 0.000 0.875 11 P HA 0.428 nan 4.420 nan 0.000 0.277 11 P C 0.050 177.344 177.300 -0.010 0.000 1.240 11 P CA 0.164 63.260 63.100 -0.006 0.000 0.798 11 P CB 0.995 32.696 31.700 0.002 0.000 0.979 12 G N 1.384 110.178 108.800 -0.009 0.000 2.315 12 G HA2 0.071 4.031 3.960 0.000 0.000 0.296 12 G HA3 0.071 4.031 3.960 0.000 0.000 0.296 12 G C -1.480 173.412 174.900 -0.014 0.000 1.289 12 G CA -0.709 44.385 45.100 -0.011 0.000 0.996 12 G HN 0.810 nan 8.290 nan 0.000 0.487 13 K N -0.153 120.238 120.400 -0.015 0.000 2.248 13 K HA 0.712 5.032 4.320 0.000 0.000 0.281 13 K C 0.248 176.832 176.600 -0.027 0.000 1.054 13 K CA -0.097 56.179 56.287 -0.018 0.000 0.903 13 K CB 1.639 34.131 32.500 -0.014 0.000 1.077 13 K HN 1.518 nan 8.250 nan 0.000 0.474 14 G N 0.832 109.611 108.800 -0.035 0.000 2.660 14 G HA2 0.474 4.434 3.960 0.000 0.000 0.290 14 G HA3 0.474 4.434 3.960 0.000 0.000 0.290 14 G C -0.023 174.834 174.900 -0.071 0.000 1.432 14 G CA -0.563 44.506 45.100 -0.052 0.000 0.807 14 G HN 0.513 nan 8.290 nan 0.000 0.485 15 A N -0.715 122.044 122.820 -0.102 0.000 1.929 15 A HA 0.452 4.772 4.320 0.000 0.000 0.216 15 A C 0.963 178.391 177.584 -0.261 0.000 1.176 15 A CA 0.979 52.921 52.037 -0.159 0.000 0.628 15 A CB -0.302 18.592 19.000 -0.177 0.000 0.816 15 A HN 0.539 nan 8.150 nan 0.000 0.444 16 I N -1.661 118.775 120.570 -0.224 0.000 2.730 16 I HA 0.612 4.782 4.170 0.000 0.000 0.298 16 I C -0.348 175.704 176.117 -0.108 0.000 1.089 16 I CA -0.749 60.419 61.300 -0.220 0.000 1.041 16 I CB 2.319 40.160 38.000 -0.265 0.000 1.235 16 I HN 0.139 nan 8.210 nan 0.000 0.423 17 A N 6.114 128.895 122.820 -0.065 0.000 2.449 17 A HA 0.873 5.193 4.320 0.000 0.000 0.302 17 A C -1.150 176.413 177.584 -0.035 0.000 1.048 17 A CA -0.456 51.555 52.037 -0.043 0.000 0.708 17 A CB 1.475 20.462 19.000 -0.022 0.000 1.274 17 A HN 0.626 nan 8.150 nan 0.000 0.410 18 I N 2.021 122.565 120.570 -0.044 0.000 2.436 18 I HA 0.304 4.474 4.170 0.000 0.000 0.289 18 I C -1.187 174.905 176.117 -0.043 0.000 1.010 18 I CA -0.794 60.475 61.300 -0.051 0.000 1.098 18 I CB 1.812 39.764 38.000 -0.080 0.000 1.266 18 I HN 0.459 nan 8.210 nan 0.000 0.434 19 L N 7.077 128.288 121.223 -0.019 0.000 2.289 19 L HA 0.480 4.820 4.340 0.000 0.000 0.285 19 L C -0.114 176.720 176.870 -0.059 0.000 1.049 19 L CA -0.076 54.770 54.840 0.010 0.000 0.804 19 L CB 1.093 43.224 42.059 0.121 0.000 1.195 19 L HN 0.515 nan 8.230 nan 0.000 0.428 20 R N 3.744 124.200 120.500 -0.072 0.000 2.494 20 R HA 0.750 5.090 4.340 0.000 0.000 0.305 20 R C -1.717 174.614 176.300 0.050 0.000 0.959 20 R CA -0.730 55.298 56.100 -0.118 0.000 0.864 20 R CB 1.147 31.223 30.300 -0.374 0.000 1.159 20 R HN 0.485 nan 8.270 nan 0.000 0.446 21 L N 1.563 122.816 121.223 0.050 0.000 2.381 21 L HA 0.515 4.855 4.340 0.000 0.000 0.268 21 L C -0.518 176.478 176.870 0.210 0.000 0.997 21 L CA -0.289 54.619 54.840 0.114 0.000 0.818 21 L CB 2.210 44.210 42.059 -0.097 0.000 1.310 21 L HN 0.517 nan 8.230 nan 0.000 0.416 22 S N 0.665 116.481 115.700 0.193 0.000 2.547 22 S HA 0.950 5.420 4.470 0.000 0.000 0.281 22 S C -0.543 174.075 174.600 0.031 0.000 1.118 22 S CA 0.163 58.448 58.200 0.141 0.000 0.947 22 S CB 1.489 64.783 63.200 0.156 0.000 1.053 22 S HN 1.142 nan 8.310 nan 0.000 0.482 23 G N 4.319 113.146 108.800 0.044 0.000 2.359 23 G HA2 0.154 4.114 3.960 0.000 0.000 0.314 23 G HA3 0.154 4.114 3.960 0.000 0.000 0.314 23 G C -3.019 171.888 174.900 0.012 0.000 1.364 23 G CA -0.568 44.534 45.100 0.003 0.000 0.978 23 G HN 0.422 nan 8.290 nan 0.000 0.615 24 P HA 0.048 nan 4.420 nan 0.000 0.218 24 P C 0.842 178.133 177.300 -0.014 0.000 1.148 24 P CA 1.567 64.646 63.100 -0.035 0.000 0.822 24 P CB 0.189 31.866 31.700 -0.037 0.000 0.784 25 D N -1.848 118.565 120.400 0.021 0.000 2.389 25 D HA -0.016 4.624 4.640 0.000 0.000 0.206 25 D C 1.924 178.293 176.300 0.115 0.000 1.055 25 D CA 0.620 54.652 54.000 0.054 0.000 0.856 25 D CB -0.267 40.556 40.800 0.038 0.000 0.957 25 D HN 0.157 nan 8.370 nan 0.000 0.509 26 S N 0.690 116.469 115.700 0.132 0.000 2.407 26 S HA -0.297 4.173 4.470 0.000 0.000 0.244 26 S C 1.873 176.645 174.600 0.287 0.000 1.077 26 S CA 1.241 59.543 58.200 0.169 0.000 1.159 26 S CB -1.053 62.288 63.200 0.234 0.000 1.045 26 S HN 0.273 nan 8.310 nan 0.000 0.438 27 W N 2.217 123.583 121.300 0.111 0.000 2.315 27 W HA 0.021 4.682 4.660 0.000 0.000 0.323 27 W C 2.892 179.504 176.519 0.156 0.000 1.233 27 W CA 1.022 58.511 57.345 0.240 0.000 1.267 27 W CB -1.029 28.542 29.460 0.184 0.000 1.160 27 W HN 0.419 nan 8.180 nan 0.000 0.474 28 K N 0.035 120.632 120.400 0.329 0.000 2.032 28 K HA -0.207 4.113 4.320 0.000 0.000 0.209 28 K C 1.794 178.466 176.600 0.120 0.000 1.048 28 K CA 1.878 58.275 56.287 0.183 0.000 0.927 28 K CB -0.490 32.082 32.500 0.121 0.000 0.712 28 K HN -0.045 nan 8.250 nan 0.000 0.441 29 I N 1.035 121.660 120.570 0.092 0.000 2.315 29 I HA -0.223 3.947 4.170 0.000 0.000 0.251 29 I C 2.376 178.521 176.117 0.046 0.000 1.125 29 I CA 1.059 62.383 61.300 0.041 0.000 1.392 29 I CB -0.969 37.036 38.000 0.007 0.000 1.065 29 I HN 0.174 nan 8.210 nan 0.000 0.424 30 V N 0.010 119.953 119.914 0.048 0.000 2.672 30 V HA -0.100 4.020 4.120 0.000 0.000 0.242 30 V C 2.292 178.488 176.094 0.169 0.000 1.059 30 V CA 0.933 63.303 62.300 0.116 0.000 1.081 30 V CB -0.003 31.785 31.823 -0.057 0.000 0.752 30 V HN 0.336 nan 8.190 nan 0.000 0.472 31 Q N -0.132 119.782 119.800 0.191 0.000 2.297 31 Q HA -0.256 4.084 4.340 0.000 0.000 0.208 31 Q C 2.144 178.212 176.000 0.114 0.000 0.981 31 Q CA 1.758 57.653 55.803 0.152 0.000 0.876 31 Q CB -0.154 28.651 28.738 0.112 0.000 0.921 31 Q HN 0.594 nan 8.270 nan 0.000 0.446 32 K N 0.195 120.640 120.400 0.075 0.000 2.063 32 K HA -0.178 4.142 4.320 0.000 0.000 0.208 32 K C 0.669 177.415 176.600 0.244 0.000 1.048 32 K CA 1.410 57.747 56.287 0.084 0.000 0.928 32 K CB 0.043 32.487 32.500 -0.092 0.000 0.713 32 K HN 0.445 nan 8.250 nan 0.000 0.442 33 H N -0.908 118.192 119.070 0.049 0.000 2.528 33 H HA 0.139 4.695 4.556 0.000 0.000 0.282 33 H C -0.875 174.184 175.328 -0.448 0.000 1.097 33 H CA -0.913 55.030 56.048 -0.176 0.000 1.121 33 H CB 0.625 30.355 29.762 -0.053 0.000 1.590 33 H HN 0.017 nan 8.280 nan 0.000 0.553 34 L N 1.572 122.740 121.223 -0.091 0.000 2.295 34 L HA 0.309 4.649 4.340 0.000 0.000 0.285 34 L C -0.032 176.845 176.870 0.012 0.000 1.035 34 L CA -0.558 54.263 54.840 -0.031 0.000 0.806 34 L CB 1.121 43.247 42.059 0.111 0.000 1.214 34 L HN 0.061 nan 8.230 nan 0.000 0.426 35 R N 3.533 124.090 120.500 0.095 0.000 2.335 35 R HA 0.431 4.771 4.340 0.000 0.000 0.302 35 R C -0.651 175.785 176.300 0.226 0.000 1.147 35 R CA -0.123 56.112 56.100 0.225 0.000 1.111 35 R CB 0.745 31.261 30.300 0.359 0.000 1.122 35 R HN 0.859 nan 8.270 nan 0.000 0.557 36 T N 1.036 115.690 114.554 0.166 0.000 2.841 36 T HA 0.446 4.796 4.350 0.000 0.000 0.276 36 T C 0.343 175.110 174.700 0.112 0.000 1.003 36 T CA -0.724 61.468 62.100 0.154 0.000 0.995 36 T CB 0.970 69.908 68.868 0.117 0.000 1.260 36 T HN 0.763 nan 8.240 nan 0.000 0.581 37 R N 0.053 120.608 120.500 0.093 0.000 2.518 37 R HA 0.389 4.729 4.340 0.000 0.000 0.419 37 R C 0.198 176.523 176.300 0.042 0.000 0.902 37 R CA -0.354 55.782 56.100 0.061 0.000 1.146 37 R CB -0.110 30.225 30.300 0.059 0.000 1.652 37 R HN 0.304 nan 8.270 nan 0.000 0.555 38 S N 0.994 116.717 115.700 0.038 0.000 2.650 38 S HA 0.155 4.625 4.470 0.000 0.000 0.240 38 S C -0.647 173.953 174.600 0.000 0.000 1.007 38 S CA -0.307 57.906 58.200 0.022 0.000 0.984 38 S CB 0.368 63.587 63.200 0.032 0.000 0.910 38 S HN 0.359 nan 8.310 nan 0.000 0.509 39 K N 1.812 122.206 120.400 -0.010 0.000 6.691 39 K HA -0.170 4.150 4.320 0.000 0.000 0.741 39 K C -1.018 175.533 176.600 -0.081 0.000 2.096 39 K CA 0.129 56.395 56.287 -0.035 0.000 1.671 39 K CB -1.430 31.059 32.500 -0.018 0.000 1.891 39 K HN 0.187 nan 8.250 nan 0.000 0.314 40 I N 4.302 124.772 120.570 -0.168 0.000 3.045 40 I HA -0.080 4.090 4.170 0.000 0.000 0.306 40 I C 0.418 176.397 176.117 -0.231 0.000 1.232 40 I CA 0.748 61.836 61.300 -0.354 0.000 1.415 40 I CB -0.101 37.488 38.000 -0.685 0.000 1.364 40 I HN 0.244 nan 8.210 nan 0.000 0.538 41 V N 8.834 128.642 119.914 -0.178 0.000 2.638 41 V HA 0.449 4.569 4.120 0.000 0.000 0.306 41 V C -2.074 173.989 176.094 -0.051 0.000 1.052 41 V CA -1.644 60.619 62.300 -0.061 0.000 0.885 41 V CB 2.170 33.979 31.823 -0.024 0.000 0.999 41 V HN 0.595 nan 8.190 nan 0.000 0.424 42 P HA 0.160 nan 4.420 nan 0.000 0.268 42 P C 0.073 177.345 177.300 -0.047 0.000 1.204 42 P CA 0.078 63.215 63.100 0.061 0.000 0.768 42 P CB 0.411 32.251 31.700 0.234 0.000 0.842 43 R N -1.197 119.171 120.500 -0.220 0.000 3.878 43 R HA -0.177 4.163 4.340 0.000 0.000 0.330 43 R C 0.273 176.489 176.300 -0.141 0.000 1.186 43 R CA 0.975 56.927 56.100 -0.247 0.000 0.885 43 R CB -1.788 28.468 30.300 -0.073 0.000 1.377 43 R HN 0.552 nan 8.270 nan 0.000 0.523 44 K N 0.841 121.167 120.400 -0.123 0.000 2.376 44 K HA 0.560 4.880 4.320 0.000 0.000 0.257 44 K C -0.365 176.199 176.600 -0.061 0.000 0.939 44 K CA -0.154 56.096 56.287 -0.063 0.000 0.809 44 K CB 1.435 33.917 32.500 -0.030 0.000 1.121 44 K HN 0.191 nan 8.250 nan 0.000 0.425 45 A N 6.003 128.796 122.820 -0.045 0.000 2.513 45 A HA 0.145 4.465 4.320 0.000 0.000 0.274 45 A C -0.068 177.509 177.584 -0.012 0.000 1.115 45 A CA 0.054 52.067 52.037 -0.041 0.000 0.792 45 A CB -0.480 18.506 19.000 -0.023 0.000 1.053 45 A HN 0.525 nan 8.150 nan 0.000 0.515 46 I N 3.908 124.469 120.570 -0.015 0.000 2.336 46 I HA 0.200 4.370 4.170 0.000 0.000 0.292 46 I C 0.397 176.530 176.117 0.028 0.000 0.991 46 I CA -0.209 61.112 61.300 0.036 0.000 1.227 46 I CB 0.938 38.989 38.000 0.086 0.000 1.366 46 I HN 0.601 nan 8.210 nan 0.000 0.466 47 H N 4.899 123.967 119.070 -0.003 0.000 2.489 47 H HA 0.715 5.271 4.556 0.000 0.000 0.322 47 H C -0.065 175.277 175.328 0.022 0.000 1.091 47 H CA -0.037 55.998 56.048 -0.021 0.000 1.291 47 H CB 1.566 31.320 29.762 -0.014 0.000 1.436 47 H HN 0.833 nan 8.280 nan 0.000 0.480 48 G N 2.876 111.791 108.800 0.192 0.000 2.554 48 G HA2 0.296 4.256 3.960 0.000 0.000 0.306 48 G HA3 0.296 4.256 3.960 0.000 0.000 0.306 48 G C -2.092 172.859 174.900 0.086 0.000 1.320 48 G CA -0.803 44.447 45.100 0.251 0.000 0.800 48 G HN 0.466 nan 8.290 nan 0.000 0.481 49 W N -0.785 120.562 121.300 0.078 0.000 2.819 49 W HA 0.674 5.334 4.660 -0.000 0.000 0.337 49 W C -0.636 175.888 176.519 0.007 0.000 1.077 49 W CA -0.720 56.657 57.345 0.053 0.000 1.226 49 W CB 2.144 31.651 29.460 0.080 0.000 1.419 49 W HN 0.365 nan 8.180 nan 0.000 0.502 50 I N 4.186 124.865 120.570 0.183 0.000 2.361 50 I HA 0.209 4.379 4.170 0.000 0.000 0.282 50 I C -0.068 176.090 176.117 0.069 0.000 1.075 50 I CA -0.697 60.636 61.300 0.055 0.000 1.205 50 I CB -0.491 37.535 38.000 0.044 0.000 1.406 50 I HN 0.425 nan 8.210 nan 0.000 0.481 51 H N 4.289 123.455 119.070 0.160 0.000 2.548 51 H HA 0.522 5.078 4.556 0.000 0.000 0.331 51 H C 0.423 175.730 175.328 -0.035 0.000 1.093 51 H CA -0.651 55.441 56.048 0.074 0.000 1.367 51 H CB 0.843 30.641 29.762 0.059 0.000 1.455 51 H HN 0.438 nan 8.280 nan 0.000 0.519 52 E N 1.849 122.095 120.200 0.077 0.000 2.060 52 E HA -0.040 4.310 4.350 0.000 0.000 0.189 52 E C 0.522 177.045 176.600 -0.128 0.000 0.974 52 E CA 1.708 58.028 56.400 -0.134 0.000 0.808 52 E CB 0.169 29.814 29.700 -0.090 0.000 0.768 52 E HN 0.955 nan 8.360 nan 0.000 0.453 53 N N -4.032 114.649 118.700 -0.032 0.000 2.416 53 N HA 0.034 4.774 4.740 0.000 0.000 0.326 53 N C 0.878 176.341 175.510 -0.078 0.000 0.742 53 N CA 0.520 53.531 53.050 -0.065 0.000 0.558 53 N CB -0.180 38.267 38.487 -0.067 0.000 2.406 53 N HN 0.094 nan 8.380 nan 0.000 1.113 54 G N -0.792 107.979 108.800 -0.048 0.000 4.299 54 G HA2 0.417 4.378 3.960 0.000 0.000 0.290 54 G HA3 0.417 4.378 3.960 0.000 0.000 0.290 54 G C -0.126 174.756 174.900 -0.030 0.000 1.019 54 G CA -0.162 44.909 45.100 -0.049 0.000 0.790 54 G HN 0.162 nan 8.290 nan 0.000 0.452 55 E N -0.377 119.820 120.200 -0.005 0.000 2.564 55 E HA 0.176 4.526 4.350 0.000 0.000 0.203 55 E C 0.908 177.527 176.600 0.032 0.000 0.867 55 E CA 0.130 56.538 56.400 0.015 0.000 1.250 55 E CB 0.799 30.521 29.700 0.036 0.000 1.215 55 E HN 0.005 nan 8.360 nan 0.000 0.566 56 D N -0.284 120.177 120.400 0.102 0.000 2.911 56 D HA -0.150 4.490 4.640 0.000 0.000 0.199 56 D C 0.268 176.730 176.300 0.271 0.000 1.041 56 D CA 0.954 55.053 54.000 0.165 0.000 1.013 56 D CB -1.552 39.234 40.800 -0.025 0.000 1.093 56 D HN 0.229 nan 8.370 nan 0.000 0.431 57 V N -1.070 118.976 119.914 0.221 0.000 3.484 57 V HA 0.250 4.370 4.120 0.000 0.000 0.304 57 V C 0.604 176.880 176.094 0.302 0.000 1.116 57 V CA 0.131 62.598 62.300 0.278 0.000 1.187 57 V CB 0.480 32.391 31.823 0.147 0.000 1.062 57 V HN 0.288 nan 8.190 nan 0.000 0.489 58 D N -0.268 120.262 120.400 0.217 0.000 4.669 58 D HA -0.142 4.498 4.640 0.000 0.000 0.240 58 D C -0.296 175.931 176.300 -0.121 0.000 1.111 58 D CA 1.087 55.110 54.000 0.039 0.000 1.179 58 D CB -0.309 40.508 40.800 0.028 0.000 0.750 58 D HN 1.091 nan 8.370 nan 0.000 0.360 59 E N 0.915 120.830 120.200 -0.474 0.000 2.227 59 E HA 0.497 4.847 4.350 0.000 0.000 0.282 59 E C 0.080 176.351 176.600 -0.549 0.000 1.015 59 E CA -0.761 55.073 56.400 -0.944 0.000 0.823 59 E CB 1.299 30.202 29.700 -1.328 0.000 1.081 59 E HN 0.322 nan 8.360 nan 0.000 0.396 60 V N 0.791 120.415 119.914 -0.483 0.000 3.167 60 V HA 0.700 4.820 4.120 0.000 0.000 0.310 60 V C -0.962 174.890 176.094 -0.404 0.000 1.207 60 V CA -0.920 61.174 62.300 -0.343 0.000 1.059 60 V CB 1.963 33.684 31.823 -0.171 0.000 1.079 60 V HN 0.407 nan 8.190 nan 0.000 0.446 61 V N 1.057 120.790 119.914 -0.301 0.000 2.483 61 V HA 0.701 4.821 4.120 0.000 0.000 0.297 61 V C -0.509 175.476 176.094 -0.182 0.000 1.027 61 V CA -0.351 61.780 62.300 -0.281 0.000 0.855 61 V CB 1.587 33.255 31.823 -0.259 0.000 0.995 61 V HN 0.818 nan 8.190 nan 0.000 0.424 62 V N 5.077 124.893 119.914 -0.163 0.000 2.680 62 V HA 0.646 4.766 4.120 0.000 0.000 0.309 62 V C -0.489 175.455 176.094 -0.250 0.000 1.052 62 V CA -0.740 61.421 62.300 -0.232 0.000 0.908 62 V CB 2.322 33.978 31.823 -0.278 0.000 1.001 62 V HN 0.569 nan 8.190 nan 0.000 0.431 63 V N 3.827 123.519 119.914 -0.370 0.000 2.487 63 V HA 0.540 4.660 4.120 0.000 0.000 0.298 63 V C -0.940 174.761 176.094 -0.654 0.000 1.028 63 V CA -0.468 61.598 62.300 -0.390 0.000 0.860 63 V CB 1.620 33.255 31.823 -0.314 0.000 0.991 63 V HN 0.664 nan 8.190 nan 0.000 0.427 64 F N 3.810 123.414 119.950 -0.577 0.000 2.420 64 F HA 0.643 5.170 4.527 -0.000 0.000 0.342 64 F C -0.295 175.202 175.800 -0.504 0.000 1.113 64 F CA -0.502 57.093 58.000 -0.675 0.000 1.059 64 F CB 1.359 39.658 39.000 -1.170 0.000 1.128 64 F HN 0.359 nan 8.300 nan 0.000 0.475 65 Y N 1.482 121.943 120.300 0.269 0.000 2.377 65 Y HA 0.428 4.978 4.550 0.000 0.000 0.339 65 Y C -0.103 176.180 175.900 0.638 0.000 1.011 65 Y CA -1.213 57.112 58.100 0.375 0.000 1.093 65 Y CB 1.577 40.173 38.460 0.227 0.000 1.201 65 Y HN 0.307 nan 8.280 nan 0.000 0.455 66 K N 2.176 122.915 120.400 0.564 0.000 2.263 66 K HA 0.251 4.571 4.320 0.000 0.000 0.282 66 K C 0.939 177.645 176.600 0.175 0.000 1.089 66 K CA 0.357 56.838 56.287 0.323 0.000 0.907 66 K CB 0.710 33.337 32.500 0.212 0.000 1.148 66 K HN 0.750 nan 8.250 nan 0.000 0.470 67 S N 5.514 121.265 115.700 0.084 0.000 1.978 67 S HA -0.273 4.197 4.470 0.000 0.000 0.533 67 S C -0.900 173.734 174.600 0.056 0.000 0.920 67 S CA 2.377 60.601 58.200 0.039 0.000 3.354 67 S CB -1.231 61.941 63.200 -0.046 0.000 2.336 67 S HN 0.806 nan 8.310 nan 0.000 0.579 68 P HA -0.110 nan 4.420 nan 0.000 0.216 68 P C -0.124 177.212 177.300 0.060 0.000 1.150 68 P CA 1.645 64.762 63.100 0.029 0.000 0.843 68 P CB -0.361 31.348 31.700 0.016 0.000 0.787 69 K N 1.184 121.646 120.400 0.104 0.000 2.307 69 K HA 0.259 4.579 4.320 0.000 0.000 0.240 69 K C 0.373 177.097 176.600 0.206 0.000 1.214 69 K CA -0.170 56.203 56.287 0.144 0.000 1.149 69 K CB -0.149 32.448 32.500 0.162 0.000 1.668 69 K HN 0.270 nan 8.250 nan 0.000 0.314 70 S N -1.169 114.607 115.700 0.125 0.000 2.636 70 S HA 0.106 4.576 4.470 0.000 0.000 0.268 70 S C 0.191 174.816 174.600 0.042 0.000 1.159 70 S CA -0.934 57.299 58.200 0.056 0.000 0.815 70 S CB 0.256 63.505 63.200 0.082 0.000 1.130 70 S HN 0.323 nan 8.310 nan 0.000 0.471 71 Y N 2.100 122.320 120.300 -0.134 0.000 2.089 71 Y HA -0.073 4.477 4.550 0.000 0.000 0.282 71 Y C 2.864 178.760 175.900 -0.006 0.000 1.139 71 Y CA 3.130 61.189 58.100 -0.068 0.000 1.123 71 Y CB -1.005 37.397 38.460 -0.096 0.000 0.980 71 Y HN 0.946 nan 8.280 nan 0.000 0.493 72 T N -3.098 111.429 114.554 -0.044 0.000 3.035 72 T HA 0.195 4.545 4.350 0.000 0.000 0.268 72 T C 1.826 176.461 174.700 -0.108 0.000 1.109 72 T CA 1.124 63.149 62.100 -0.126 0.000 1.119 72 T CB -0.619 68.263 68.868 0.023 0.000 0.900 72 T HN 0.780 nan 8.240 nan 0.000 0.503 73 G N 1.564 110.334 108.800 -0.050 0.000 2.241 73 G HA2 -0.233 3.727 3.960 0.000 0.000 0.244 73 G HA3 -0.233 3.727 3.960 0.000 0.000 0.244 73 G C -0.073 174.821 174.900 -0.010 0.000 0.998 73 G CA 0.194 45.272 45.100 -0.036 0.000 0.621 73 G HN 0.910 nan 8.290 nan 0.000 0.519 74 E N 0.617 120.819 120.200 0.002 0.000 2.259 74 E HA 0.601 4.951 4.350 0.000 0.000 0.257 74 E C -1.081 175.566 176.600 0.077 0.000 0.998 74 E CA -1.075 55.332 56.400 0.012 0.000 0.866 74 E CB 0.947 30.639 29.700 -0.015 0.000 1.220 74 E HN -0.013 nan 8.360 nan 0.000 0.415 75 D N 0.497 120.935 120.400 0.063 0.000 2.525 75 D HA 0.103 4.743 4.640 0.000 0.000 0.235 75 D C -0.459 176.019 176.300 0.297 0.000 1.137 75 D CA 1.025 55.125 54.000 0.167 0.000 0.868 75 D CB 0.350 41.129 40.800 -0.035 0.000 1.180 75 D HN 0.312 nan 8.370 nan 0.000 0.465 76 M N 1.074 120.962 119.600 0.479 0.000 2.618 76 M HA 0.529 5.010 4.480 0.000 0.000 0.281 76 M C -1.256 175.256 176.300 0.354 0.000 1.267 76 M CA -1.153 54.359 55.300 0.353 0.000 0.845 76 M CB 2.864 35.587 32.600 0.205 0.000 1.732 76 M HN 0.076 nan 8.290 nan 0.000 0.461 77 V N 1.331 121.309 119.914 0.107 0.000 2.817 77 V HA 0.468 4.588 4.120 0.000 0.000 0.303 77 V C -1.796 174.199 176.094 -0.165 0.000 1.151 77 V CA -0.246 61.935 62.300 -0.197 0.000 0.929 77 V CB 2.542 34.045 31.823 -0.534 0.000 1.030 77 V HN 0.907 nan 8.190 nan 0.000 0.427 78 E N 4.949 125.055 120.200 -0.157 0.000 2.176 78 E HA 0.566 4.916 4.350 0.000 0.000 0.267 78 E C -1.308 175.183 176.600 -0.181 0.000 0.893 78 E CA -0.706 55.622 56.400 -0.120 0.000 0.761 78 E CB 2.539 32.232 29.700 -0.012 0.000 1.133 78 E HN 0.499 nan 8.360 nan 0.000 0.409 79 V N 4.671 124.502 119.914 -0.137 0.000 2.328 79 V HA 0.282 4.402 4.120 0.000 0.000 0.278 79 V C -0.090 175.972 176.094 -0.053 0.000 1.021 79 V CA -0.425 61.818 62.300 -0.095 0.000 0.838 79 V CB 0.731 32.552 31.823 -0.003 0.000 0.999 79 V HN 0.688 nan 8.190 nan 0.000 0.447 80 M N 5.883 125.443 119.600 -0.067 0.000 2.113 80 M HA 0.483 4.963 4.480 0.000 0.000 0.352 80 M C -0.346 175.950 176.300 -0.006 0.000 1.170 80 M CA -0.191 55.091 55.300 -0.031 0.000 1.053 80 M CB 1.104 33.688 32.600 -0.027 0.000 1.601 80 M HN 0.816 nan 8.290 nan 0.000 0.459 81 C N 1.870 121.193 119.300 0.038 0.000 2.482 81 C HA 0.486 4.946 4.460 0.000 0.000 0.317 81 C C 0.659 175.739 174.990 0.149 0.000 1.197 81 C CA -0.646 58.401 59.018 0.048 0.000 1.432 81 C CB 0.429 28.168 27.740 -0.002 0.000 2.062 81 C HN 1.027 nan 8.230 nan 0.000 0.471 82 H N 2.009 121.021 119.070 -0.096 0.000 2.539 82 H HA 0.109 4.665 4.556 0.000 0.000 0.267 82 H C 2.035 177.328 175.328 -0.057 0.000 0.982 82 H CA 0.416 56.420 56.048 -0.073 0.000 1.146 82 H CB 0.402 30.117 29.762 -0.078 0.000 1.382 82 H HN 1.011 nan 8.280 nan 0.000 0.577 83 G N 1.184 110.020 108.800 0.059 0.000 2.469 83 G HA2 0.001 3.961 3.960 0.000 0.000 0.220 83 G HA3 0.001 3.961 3.960 0.000 0.000 0.220 83 G C 0.904 175.815 174.900 0.018 0.000 1.136 83 G CA 0.687 45.800 45.100 0.022 0.000 0.759 83 G HN 0.684 nan 8.290 nan 0.000 0.562 84 G N -1.317 107.491 108.800 0.012 0.000 2.592 84 G HA2 -0.003 3.957 3.960 0.000 0.000 0.684 84 G HA3 -0.003 3.957 3.960 0.000 0.000 0.684 84 G C -1.309 173.592 174.900 0.002 0.000 1.291 84 G CA -0.159 44.943 45.100 0.003 0.000 0.891 84 G HN 0.096 nan 8.290 nan 0.000 0.544 85 P HA -0.205 nan 4.420 nan 0.000 0.218 85 P C 2.402 179.704 177.300 0.004 0.000 1.165 85 P CA 2.921 66.022 63.100 0.002 0.000 0.922 85 P CB -0.194 31.507 31.700 0.002 0.000 0.794 86 L N -2.892 118.333 121.223 0.004 0.000 1.971 86 L HA -0.182 4.158 4.340 0.000 0.000 0.215 86 L C 2.100 178.971 176.870 0.001 0.000 1.072 86 L CA 2.099 56.941 54.840 0.004 0.000 0.758 86 L CB -2.013 40.050 42.059 0.006 0.000 0.889 86 L HN -0.157 nan 8.230 nan 0.000 0.433 87 V N 1.039 120.954 119.914 0.001 0.000 2.490 87 V HA -0.211 3.909 4.120 0.000 0.000 0.250 87 V C 2.839 178.928 176.094 -0.010 0.000 1.061 87 V CA 1.698 63.995 62.300 -0.005 0.000 1.064 87 V CB -0.533 31.289 31.823 -0.003 0.000 0.670 87 V HN 0.610 nan 8.190 nan 0.000 0.461 88 V N -1.432 118.482 119.914 0.000 0.000 2.453 88 V HA -0.106 4.014 4.120 0.000 0.000 0.247 88 V C 2.400 178.499 176.094 0.008 0.000 1.048 88 V CA 2.036 64.341 62.300 0.009 0.000 1.049 88 V CB -0.723 31.110 31.823 0.016 0.000 0.672 88 V HN 0.401 nan 8.190 nan 0.000 0.457 89 K N 1.029 121.432 120.400 0.005 0.000 2.057 89 K HA -0.042 4.278 4.320 0.000 0.000 0.206 89 K C 2.177 178.772 176.600 -0.008 0.000 1.050 89 K CA 1.644 57.935 56.287 0.007 0.000 0.935 89 K CB -0.405 32.100 32.500 0.008 0.000 0.715 89 K HN 0.538 nan 8.250 nan 0.000 0.439 90 K N -0.386 120.002 120.400 -0.021 0.000 2.217 90 K HA -0.058 4.262 4.320 0.000 0.000 0.202 90 K C 1.701 178.246 176.600 -0.093 0.000 1.051 90 K CA 0.735 56.997 56.287 -0.041 0.000 0.952 90 K CB -0.045 32.436 32.500 -0.031 0.000 0.736 90 K HN 0.043 nan 8.250 nan 0.000 0.453 91 L N 0.960 122.120 121.223 -0.105 0.000 2.240 91 L HA -0.038 4.302 4.340 0.000 0.000 0.211 91 L C 1.819 178.506 176.870 -0.305 0.000 1.106 91 L CA 0.996 55.699 54.840 -0.228 0.000 0.793 91 L CB -0.234 41.756 42.059 -0.115 0.000 0.927 91 L HN 0.062 nan 8.230 nan 0.000 0.446 92 L N -0.702 120.482 121.223 -0.065 0.000 2.007 92 L HA -0.117 4.223 4.340 0.000 0.000 0.205 92 L C 2.048 178.936 176.870 0.031 0.000 1.073 92 L CA 1.806 56.690 54.840 0.072 0.000 0.744 92 L CB -0.936 41.176 42.059 0.089 0.000 0.898 92 L HN 0.245 nan 8.230 nan 0.000 0.435 93 D N -0.272 120.126 120.400 -0.004 0.000 2.190 93 D HA -0.221 4.419 4.640 0.000 0.000 0.200 93 D C 2.191 178.481 176.300 -0.017 0.000 0.992 93 D CA 1.485 55.489 54.000 0.007 0.000 0.854 93 D CB -0.086 40.714 40.800 0.000 0.000 0.936 93 D HN 0.309 nan 8.370 nan 0.000 0.462 94 L N 0.021 121.166 121.223 -0.131 0.000 2.083 94 L HA -0.152 4.188 4.340 0.000 0.000 0.209 94 L C 1.781 178.594 176.870 -0.095 0.000 1.083 94 L CA 1.484 56.227 54.840 -0.162 0.000 0.752 94 L CB -0.413 41.433 42.059 -0.356 0.000 0.899 94 L HN -0.131 nan 8.230 nan 0.000 0.433 95 F N -1.413 118.577 119.950 0.067 0.000 2.473 95 F HA 0.069 4.596 4.527 -0.000 0.000 0.294 95 F C 2.136 177.960 175.800 0.039 0.000 1.103 95 F CA 0.409 58.431 58.000 0.037 0.000 1.442 95 F CB -0.767 38.251 39.000 0.030 0.000 1.097 95 F HN -0.054 nan 8.300 nan 0.000 0.547 96 L N -0.036 121.310 121.223 0.205 0.000 2.093 96 L HA -0.187 4.153 4.340 0.000 0.000 0.208 96 L C 2.041 178.973 176.870 0.103 0.000 1.085 96 L CA 1.463 56.382 54.840 0.132 0.000 0.755 96 L CB -0.534 41.583 42.059 0.096 0.000 0.904 96 L HN 0.096 nan 8.230 nan 0.000 0.435 97 K N -1.166 119.293 120.400 0.098 0.000 2.379 97 K HA 0.018 4.338 4.320 0.000 0.000 0.194 97 K C 1.960 178.622 176.600 0.104 0.000 1.031 97 K CA 0.405 56.744 56.287 0.085 0.000 1.037 97 K CB 0.276 32.820 32.500 0.073 0.000 0.824 97 K HN 0.012 nan 8.250 nan 0.000 0.516 98 S N -0.290 115.489 115.700 0.132 0.000 2.603 98 S HA 0.077 4.547 4.470 0.000 0.000 0.220 98 S C 1.160 175.820 174.600 0.099 0.000 0.967 98 S CA 0.871 59.146 58.200 0.125 0.000 0.920 98 S CB 0.064 63.342 63.200 0.129 0.000 0.773 98 S HN 0.565 nan 8.310 nan 0.000 0.529 99 G N 0.108 108.964 108.800 0.094 0.000 2.617 99 G HA2 -0.032 3.928 3.960 0.000 0.000 0.197 99 G HA3 -0.032 3.928 3.960 0.000 0.000 0.197 99 G C 0.270 175.207 174.900 0.061 0.000 1.017 99 G CA -0.104 45.037 45.100 0.068 0.000 0.713 99 G HN 0.866 nan 8.290 nan 0.000 0.481 100 A N 0.658 123.526 122.820 0.080 0.000 2.406 100 A HA 0.727 5.047 4.320 0.000 0.000 0.243 100 A C 0.602 178.219 177.584 0.055 0.000 1.082 100 A CA 0.980 53.052 52.037 0.058 0.000 0.786 100 A CB 0.398 19.436 19.000 0.065 0.000 1.029 100 A HN 0.915 nan 8.150 nan 0.000 0.495 101 R N 1.422 121.938 120.500 0.027 0.000 2.787 101 R HA 0.502 4.842 4.340 0.000 0.000 0.271 101 R C -0.589 175.724 176.300 0.021 0.000 0.993 101 R CA -0.855 55.257 56.100 0.019 0.000 0.993 101 R CB 0.747 31.041 30.300 -0.009 0.000 1.155 101 R HN 0.684 nan 8.270 nan 0.000 0.486 102 M N 3.003 122.620 119.600 0.029 0.000 2.251 102 M HA 0.148 4.628 4.480 0.000 0.000 0.346 102 M C -0.032 176.274 176.300 0.010 0.000 1.499 102 M CA 0.008 55.333 55.300 0.041 0.000 1.128 102 M CB 0.576 33.204 32.600 0.046 0.000 1.809 102 M HN 0.738 nan 8.290 nan 0.000 0.464 103 A N 5.299 128.125 122.820 0.010 0.000 2.531 103 A HA 0.124 4.444 4.320 0.000 0.000 0.236 103 A C 0.497 178.080 177.584 -0.003 0.000 1.062 103 A CA 0.062 52.059 52.037 -0.068 0.000 0.760 103 A CB 0.215 19.161 19.000 -0.090 0.000 0.995 103 A HN 0.772 nan 8.150 nan 0.000 0.501 104 E N 1.770 121.944 120.200 -0.042 0.000 2.280 104 E HA 0.290 4.640 4.350 0.000 0.000 0.264 104 E C -2.448 174.175 176.600 0.040 0.000 1.064 104 E CA -1.973 54.428 56.400 0.002 0.000 0.900 104 E CB 0.065 29.753 29.700 -0.021 0.000 1.123 104 E HN 0.375 nan 8.360 nan 0.000 0.418 105 P HA -0.092 nan 4.420 nan 0.000 0.255 105 P C 0.505 177.884 177.300 0.130 0.000 1.161 105 P CA 1.347 64.525 63.100 0.130 0.000 0.768 105 P CB -0.043 31.733 31.700 0.126 0.000 0.746 106 G N 3.119 112.040 108.800 0.202 0.000 2.168 106 G HA2 -0.367 3.593 3.960 0.000 0.000 0.263 106 G HA3 -0.367 3.593 3.960 0.000 0.000 0.263 106 G C 1.108 175.950 174.900 -0.098 0.000 0.977 106 G CA 0.584 45.746 45.100 0.103 0.000 0.659 106 G HN 0.549 nan 8.290 nan 0.000 0.533 107 E N -0.671 119.474 120.200 -0.091 0.000 2.118 107 E HA -0.066 4.284 4.350 0.000 0.000 0.195 107 E C 2.044 178.477 176.600 -0.279 0.000 0.992 107 E CA 1.395 57.635 56.400 -0.267 0.000 0.804 107 E CB -0.208 29.319 29.700 -0.289 0.000 0.741 107 E HN 0.623 nan 8.360 nan 0.000 0.458 108 F N 0.414 120.336 119.950 -0.045 0.000 2.102 108 F HA -0.186 4.342 4.527 0.000 0.000 0.298 108 F C 2.610 178.414 175.800 0.006 0.000 1.105 108 F CA 1.659 59.682 58.000 0.037 0.000 1.239 108 F CB -0.676 38.428 39.000 0.175 0.000 0.991 108 F HN 0.033 nan 8.300 nan 0.000 0.474 109 T N -0.484 114.218 114.554 0.246 0.000 2.904 109 T HA -0.164 4.186 4.350 0.000 0.000 0.267 109 T C 1.941 176.486 174.700 -0.259 0.000 1.059 109 T CA 1.090 63.266 62.100 0.127 0.000 1.137 109 T CB -0.194 68.919 68.868 0.408 0.000 0.879 109 T HN 0.178 nan 8.240 nan 0.000 0.467 110 K N 1.170 121.129 120.400 -0.735 0.000 2.057 110 K HA -0.075 4.245 4.320 0.000 0.000 0.207 110 K C 2.422 178.714 176.600 -0.513 0.000 1.049 110 K CA 1.088 56.642 56.287 -1.221 0.000 0.931 110 K CB -0.009 31.696 32.500 -1.324 0.000 0.714 110 K HN 0.199 nan 8.250 nan 0.000 0.440 111 R N -0.089 120.190 120.500 -0.368 0.000 2.092 111 R HA -0.064 4.276 4.340 0.000 0.000 0.231 111 R C 2.405 178.566 176.300 -0.230 0.000 1.119 111 R CA 1.079 57.020 56.100 -0.264 0.000 0.970 111 R CB -0.305 29.861 30.300 -0.223 0.000 0.864 111 R HN 0.253 nan 8.270 nan 0.000 0.440 112 A N 1.065 123.733 122.820 -0.254 0.000 1.902 112 A HA -0.207 4.113 4.320 0.000 0.000 0.217 112 A C 1.918 179.411 177.584 -0.152 0.000 1.181 112 A CA 1.187 53.054 52.037 -0.283 0.000 0.623 112 A CB -0.594 18.068 19.000 -0.564 0.000 0.818 112 A HN 0.377 nan 8.150 nan 0.000 0.443 113 F N 0.403 120.220 119.950 -0.223 0.000 2.075 113 F HA -0.129 4.398 4.527 0.000 0.000 0.297 113 F C 1.738 177.447 175.800 -0.151 0.000 1.113 113 F CA 1.500 59.416 58.000 -0.141 0.000 1.218 113 F CB -0.541 38.401 39.000 -0.096 0.000 0.984 113 F HN 0.126 nan 8.300 nan 0.000 0.472 114 L N 1.048 121.960 121.223 -0.518 0.000 2.127 114 L HA -0.223 4.117 4.340 0.000 0.000 0.211 114 L C 1.643 178.298 176.870 -0.358 0.000 1.089 114 L CA 1.527 56.044 54.840 -0.538 0.000 0.757 114 L CB -1.497 40.374 42.059 -0.313 0.000 0.899 114 L HN 0.249 nan 8.230 nan 0.000 0.434 115 N N -0.331 118.211 118.700 -0.264 0.000 2.314 115 N HA 0.120 4.860 4.740 0.000 0.000 0.200 115 N C 1.378 176.790 175.510 -0.165 0.000 1.135 115 N CA 0.840 53.780 53.050 -0.183 0.000 0.835 115 N CB 0.356 38.758 38.487 -0.142 0.000 0.989 115 N HN 0.358 nan 8.380 nan 0.000 0.478 116 G N 1.029 109.702 108.800 -0.213 0.000 2.162 116 G HA2 -0.316 3.644 3.960 0.000 0.000 0.260 116 G HA3 -0.316 3.644 3.960 0.000 0.000 0.260 116 G C 1.244 176.096 174.900 -0.079 0.000 0.976 116 G CA 0.372 45.386 45.100 -0.143 0.000 0.655 116 G HN 0.226 nan 8.290 nan 0.000 0.533 117 K N -0.458 119.888 120.400 -0.090 0.000 2.148 117 K HA 0.110 4.430 4.320 0.000 0.000 0.204 117 K C 1.563 178.155 176.600 -0.014 0.000 1.050 117 K CA 1.896 58.144 56.287 -0.064 0.000 0.942 117 K CB -0.224 32.198 32.500 -0.131 0.000 0.724 117 K HN 0.891 nan 8.250 nan 0.000 0.446 118 M N -0.506 119.110 119.600 0.026 0.000 2.578 118 M HA 0.319 4.799 4.480 0.000 0.000 0.276 118 M C -1.289 175.151 176.300 0.235 0.000 1.245 118 M CA -1.062 54.302 55.300 0.106 0.000 0.871 118 M CB 2.371 35.035 32.600 0.106 0.000 1.722 118 M HN -0.151 nan 8.290 nan 0.000 0.473 119 D N 1.460 121.997 120.400 0.228 0.000 2.451 119 D HA 0.269 4.909 4.640 0.000 0.000 0.259 119 D C 0.339 176.771 176.300 0.220 0.000 1.201 119 D CA -0.569 53.620 54.000 0.315 0.000 1.028 119 D CB 1.389 42.303 40.800 0.191 0.000 1.095 119 D HN 0.875 nan 8.370 nan 0.000 0.539 120 L N -0.278 120.975 121.223 0.049 0.000 2.056 120 L HA -0.195 4.145 4.340 0.000 0.000 0.207 120 L C 2.687 179.495 176.870 -0.103 0.000 1.078 120 L CA 2.021 56.706 54.840 -0.258 0.000 0.749 120 L CB -0.557 41.291 42.059 -0.351 0.000 0.901 120 L HN 0.692 nan 8.230 nan 0.000 0.433 121 T N -4.636 109.907 114.554 -0.018 0.000 2.788 121 T HA -0.158 4.192 4.350 0.000 0.000 0.268 121 T C 1.936 176.648 174.700 0.021 0.000 1.044 121 T CA 1.543 63.642 62.100 -0.002 0.000 1.139 121 T CB -0.372 68.511 68.868 0.025 0.000 0.867 121 T HN 0.196 nan 8.240 nan 0.000 0.454 122 S N 1.651 117.385 115.700 0.055 0.000 2.383 122 S HA 0.180 4.650 4.470 0.000 0.000 0.227 122 S C 2.615 177.282 174.600 0.113 0.000 1.026 122 S CA 0.834 59.083 58.200 0.081 0.000 0.981 122 S CB -0.760 62.503 63.200 0.104 0.000 0.818 122 S HN 0.779 nan 8.310 nan 0.000 0.472 123 A N 1.776 124.668 122.820 0.121 0.000 1.877 123 A HA -0.145 4.175 4.320 0.000 0.000 0.216 123 A C 1.978 179.704 177.584 0.237 0.000 1.186 123 A CA 1.455 53.623 52.037 0.218 0.000 0.620 123 A CB -0.577 18.518 19.000 0.159 0.000 0.822 123 A HN 0.537 nan 8.150 nan 0.000 0.443 124 E N -0.213 120.025 120.200 0.062 0.000 2.110 124 E HA -0.118 4.232 4.350 0.000 0.000 0.193 124 E C 2.247 178.830 176.600 -0.029 0.000 0.988 124 E CA 0.916 57.320 56.400 0.007 0.000 0.804 124 E CB -0.297 29.366 29.700 -0.061 0.000 0.745 124 E HN 0.626 nan 8.360 nan 0.000 0.458 125 A N 0.961 123.781 122.820 0.001 0.000 1.933 125 A HA -0.138 4.183 4.320 0.000 0.000 0.218 125 A C 2.486 180.054 177.584 -0.026 0.000 1.175 125 A CA 1.002 53.029 52.037 -0.016 0.000 0.628 125 A CB -0.584 18.421 19.000 0.009 0.000 0.814 125 A HN 0.110 nan 8.150 nan 0.000 0.444 126 V N 0.399 120.330 119.914 0.028 0.000 2.287 126 V HA -0.275 3.845 4.120 0.000 0.000 0.248 126 V C 2.755 178.761 176.094 -0.146 0.000 1.053 126 V CA 2.327 64.644 62.300 0.028 0.000 1.027 126 V CB -0.773 31.181 31.823 0.218 0.000 0.646 126 V HN 0.663 nan 8.190 nan 0.000 0.447 127 R N 0.068 120.338 120.500 -0.383 0.000 2.075 127 R HA -0.170 4.170 4.340 0.000 0.000 0.232 127 R C 1.910 178.008 176.300 -0.337 0.000 1.126 127 R CA 2.008 57.710 56.100 -0.663 0.000 0.963 127 R CB -0.548 28.970 30.300 -1.303 0.000 0.858 127 R HN 0.523 nan 8.270 nan 0.000 0.435 128 D N 0.979 121.243 120.400 -0.226 0.000 2.219 128 D HA -0.146 4.494 4.640 0.000 0.000 0.205 128 D C 1.897 178.131 176.300 -0.110 0.000 0.970 128 D CA 0.540 54.452 54.000 -0.146 0.000 0.851 128 D CB -0.169 40.567 40.800 -0.107 0.000 0.943 128 D HN 0.257 nan 8.370 nan 0.000 0.488 129 L N 0.388 121.552 121.223 -0.099 0.000 2.027 129 L HA -0.101 4.239 4.340 0.000 0.000 0.206 129 L C 2.226 179.049 176.870 -0.077 0.000 1.074 129 L CA 0.972 55.769 54.840 -0.071 0.000 0.745 129 L CB -0.088 41.940 42.059 -0.051 0.000 0.898 129 L HN -0.068 nan 8.230 nan 0.000 0.433 130 I N -0.243 120.266 120.570 -0.101 0.000 2.361 130 I HA -0.229 3.942 4.170 0.000 0.000 0.251 130 I C 2.004 178.068 176.117 -0.088 0.000 1.133 130 I CA 0.929 62.173 61.300 -0.094 0.000 1.413 130 I CB -0.183 37.750 38.000 -0.111 0.000 1.073 130 I HN 0.309 nan 8.210 nan 0.000 0.424 131 E N 1.137 121.274 120.200 -0.104 0.000 2.489 131 E HA 0.162 4.512 4.350 0.000 0.000 0.193 131 E C 0.763 177.324 176.600 -0.065 0.000 1.057 131 E CA 0.003 56.352 56.400 -0.086 0.000 0.866 131 E CB 0.055 29.692 29.700 -0.104 0.000 0.916 131 E HN 0.329 nan 8.360 nan 0.000 0.500 132 A N 1.515 124.299 122.820 -0.061 0.000 2.546 132 A HA -0.002 4.318 4.320 0.000 0.000 0.243 132 A C 0.905 178.470 177.584 -0.032 0.000 1.063 132 A CA 0.471 52.481 52.037 -0.046 0.000 0.757 132 A CB 0.254 19.229 19.000 -0.042 0.000 0.991 132 A HN 0.040 nan 8.150 nan 0.000 0.503 133 K N 0.601 120.987 120.400 -0.023 0.000 2.440 133 K HA 0.125 4.445 4.320 0.000 0.000 0.207 133 K C 0.101 176.703 176.600 0.002 0.000 1.112 133 K CA 0.705 56.986 56.287 -0.010 0.000 1.036 133 K CB 0.587 33.084 32.500 -0.005 0.000 0.935 133 K HN 0.803 nan 8.250 nan 0.000 0.564 134 S N -0.382 115.317 115.700 -0.001 0.000 2.570 134 S HA 0.319 4.789 4.470 0.000 0.000 0.286 134 S C 0.319 174.927 174.600 0.013 0.000 1.099 134 S CA -0.775 57.434 58.200 0.015 0.000 0.913 134 S CB 2.090 65.300 63.200 0.017 0.000 1.085 134 S HN -0.102 nan 8.310 nan 0.000 0.480 135 E N 1.400 121.618 120.200 0.031 0.000 2.110 135 E HA -0.066 4.284 4.350 0.000 0.000 0.193 135 E C 2.106 178.725 176.600 0.032 0.000 0.988 135 E CA 2.131 58.551 56.400 0.033 0.000 0.804 135 E CB -0.752 28.978 29.700 0.049 0.000 0.745 135 E HN 0.915 nan 8.360 nan 0.000 0.458 136 T N -2.042 112.541 114.554 0.048 0.000 2.821 136 T HA -0.120 4.230 4.350 0.000 0.000 0.267 136 T C 2.137 176.817 174.700 -0.033 0.000 1.046 136 T CA 1.347 63.453 62.100 0.011 0.000 1.139 136 T CB -0.451 68.429 68.868 0.021 0.000 0.871 136 T HN 0.079 nan 8.240 nan 0.000 0.454 137 S N 0.883 116.565 115.700 -0.029 0.000 2.368 137 S HA -0.019 4.451 4.470 0.000 0.000 0.225 137 S C 1.919 176.494 174.600 -0.041 0.000 1.030 137 S CA 0.957 59.130 58.200 -0.045 0.000 0.999 137 S CB -0.614 62.559 63.200 -0.045 0.000 0.844 137 S HN 0.415 nan 8.310 nan 0.000 0.459 138 L N 1.920 123.126 121.223 -0.029 0.000 2.141 138 L HA 0.070 4.410 4.340 0.000 0.000 0.209 138 L C 2.215 179.070 176.870 -0.026 0.000 1.094 138 L CA 1.916 56.739 54.840 -0.027 0.000 0.763 138 L CB -0.702 41.347 42.059 -0.018 0.000 0.908 138 L HN 0.243 nan 8.230 nan 0.000 0.437 139 K N -1.036 119.349 120.400 -0.025 0.000 2.002 139 K HA -0.170 4.150 4.320 0.000 0.000 0.209 139 K C 2.024 178.599 176.600 -0.041 0.000 1.048 139 K CA 1.466 57.736 56.287 -0.029 0.000 0.930 139 K CB -0.138 32.342 32.500 -0.034 0.000 0.714 139 K HN 0.210 nan 8.250 nan 0.000 0.438 140 L N 1.319 122.510 121.223 -0.054 0.000 2.012 140 L HA -0.177 4.163 4.340 0.000 0.000 0.210 140 L C 2.389 179.233 176.870 -0.043 0.000 1.073 140 L CA 1.628 56.433 54.840 -0.058 0.000 0.748 140 L CB -1.181 40.836 42.059 -0.070 0.000 0.891 140 L HN 0.164 nan 8.230 nan 0.000 0.431 141 S N -0.427 115.249 115.700 -0.041 0.000 2.359 141 S HA -0.179 4.291 4.470 0.000 0.000 0.224 141 S C 2.057 176.647 174.600 -0.017 0.000 1.035 141 S CA 1.261 59.441 58.200 -0.033 0.000 1.018 141 S CB -0.444 62.731 63.200 -0.040 0.000 0.876 141 S HN 0.342 nan 8.310 nan 0.000 0.448 142 L N 0.928 122.142 121.223 -0.016 0.000 2.042 142 L HA -0.130 4.210 4.340 0.000 0.000 0.210 142 L C 2.752 179.621 176.870 -0.001 0.000 1.076 142 L CA 1.430 56.267 54.840 -0.005 0.000 0.749 142 L CB -0.428 41.627 42.059 -0.007 0.000 0.893 142 L HN 0.263 nan 8.230 nan 0.000 0.432 143 R N 0.411 120.905 120.500 -0.010 0.000 2.096 143 R HA -0.164 4.176 4.340 0.000 0.000 0.235 143 R C 1.880 178.182 176.300 0.003 0.000 1.127 143 R CA 1.905 58.000 56.100 -0.007 0.000 0.968 143 R CB -0.172 30.114 30.300 -0.023 0.000 0.861 143 R HN 0.483 nan 8.270 nan 0.000 0.440 144 N N -0.097 118.604 118.700 0.001 0.000 2.376 144 N HA -0.050 4.690 4.740 0.000 0.000 0.177 144 N C 1.698 177.226 175.510 0.030 0.000 1.024 144 N CA 0.227 53.285 53.050 0.014 0.000 0.893 144 N CB 0.111 38.601 38.487 0.004 0.000 0.980 144 N HN 0.197 nan 8.380 nan 0.000 0.439 145 L N 1.489 122.729 121.223 0.029 0.000 2.131 145 L HA -0.121 4.219 4.340 0.000 0.000 0.210 145 L C 1.651 178.553 176.870 0.053 0.000 1.092 145 L CA 1.373 56.242 54.840 0.048 0.000 0.759 145 L CB -0.044 42.041 42.059 0.042 0.000 0.903 145 L HN 0.114 nan 8.230 nan 0.000 0.435 146 K N -0.670 119.753 120.400 0.039 0.000 2.486 146 K HA 0.044 4.364 4.320 0.000 0.000 0.194 146 K C 0.936 177.563 176.600 0.044 0.000 1.033 146 K CA 0.598 56.908 56.287 0.040 0.000 1.004 146 K CB 0.214 32.731 32.500 0.029 0.000 0.798 146 K HN 0.527 nan 8.250 nan 0.000 0.495 147 G N 0.028 108.856 108.800 0.048 0.000 2.138 147 G HA2 -0.201 3.759 3.960 0.000 0.000 0.193 147 G HA3 -0.201 3.759 3.960 0.000 0.000 0.193 147 G C 0.735 175.670 174.900 0.058 0.000 0.998 147 G CA -0.046 45.087 45.100 0.056 0.000 0.668 147 G HN 0.405 nan 8.290 nan 0.000 0.516 148 G N 0.464 109.291 108.800 0.045 0.000 2.511 148 G HA2 -0.128 3.833 3.960 0.000 0.000 0.216 148 G HA3 -0.128 3.833 3.960 0.000 0.000 0.216 148 G C 1.741 176.685 174.900 0.073 0.000 1.218 148 G CA 1.333 46.459 45.100 0.042 0.000 0.788 148 G HN 0.744 nan 8.290 nan 0.000 0.560 149 L N 0.209 121.470 121.223 0.064 0.000 2.046 149 L HA -0.039 4.301 4.340 0.000 0.000 0.208 149 L C 3.007 179.969 176.870 0.154 0.000 1.077 149 L CA 1.535 56.441 54.840 0.109 0.000 0.747 149 L CB -0.350 41.750 42.059 0.069 0.000 0.896 149 L HN 0.291 nan 8.230 nan 0.000 0.432 150 R N 0.030 120.594 120.500 0.106 0.000 2.096 150 R HA -0.229 4.111 4.340 0.000 0.000 0.240 150 R C 1.769 178.127 176.300 0.097 0.000 1.139 150 R CA 2.306 58.464 56.100 0.097 0.000 0.952 150 R CB -0.234 30.116 30.300 0.083 0.000 0.854 150 R HN 0.434 nan 8.270 nan 0.000 0.436 151 D N -0.364 120.099 120.400 0.104 0.000 2.178 151 D HA -0.157 4.483 4.640 0.000 0.000 0.202 151 D C 1.566 177.938 176.300 0.121 0.000 0.974 151 D CA 0.832 54.888 54.000 0.094 0.000 0.841 151 D CB -0.333 40.520 40.800 0.087 0.000 0.953 151 D HN 0.210 nan 8.370 nan 0.000 0.478 152 F N 1.633 121.592 119.950 0.015 0.000 2.102 152 F HA -0.190 4.337 4.527 0.000 0.000 0.298 152 F C 2.156 177.965 175.800 0.015 0.000 1.105 152 F CA 0.973 58.980 58.000 0.012 0.000 1.239 152 F CB -0.406 38.599 39.000 0.008 0.000 0.991 152 F HN -0.230 nan 8.300 nan 0.000 0.474 153 V N 0.577 120.489 119.914 -0.004 0.000 2.343 153 V HA -0.294 3.826 4.120 0.000 0.000 0.247 153 V C 2.112 178.134 176.094 -0.119 0.000 1.051 153 V CA 2.255 64.491 62.300 -0.107 0.000 1.036 153 V CB -0.724 31.119 31.823 0.035 0.000 0.654 153 V HN 0.280 nan 8.190 nan 0.000 0.451 154 D N 0.245 120.617 120.400 -0.047 0.000 2.144 154 D HA -0.124 4.516 4.640 0.000 0.000 0.199 154 D C 2.435 178.692 176.300 -0.072 0.000 0.984 154 D CA 1.734 55.711 54.000 -0.038 0.000 0.834 154 D CB -0.227 40.574 40.800 0.001 0.000 0.955 154 D HN 0.607 nan 8.370 nan 0.000 0.465 155 S N -0.032 115.607 115.700 -0.103 0.000 2.383 155 S HA -0.103 4.367 4.470 0.000 0.000 0.227 155 S C 1.980 176.487 174.600 -0.155 0.000 1.026 155 S CA 0.382 58.519 58.200 -0.104 0.000 0.981 155 S CB -0.375 62.776 63.200 -0.082 0.000 0.818 155 S HN 0.069 nan 8.310 nan 0.000 0.472 156 L N 2.019 123.082 121.223 -0.267 0.000 2.093 156 L HA 0.187 4.527 4.340 0.000 0.000 0.208 156 L C 2.826 179.611 176.870 -0.142 0.000 1.085 156 L CA 1.568 56.252 54.840 -0.259 0.000 0.755 156 L CB -0.840 40.975 42.059 -0.406 0.000 0.904 156 L HN 0.410 nan 8.230 nan 0.000 0.435 157 R N -0.734 119.697 120.500 -0.115 0.000 2.090 157 R HA -0.092 4.248 4.340 0.000 0.000 0.228 157 R C 2.337 178.607 176.300 -0.050 0.000 1.110 157 R CA 0.973 57.033 56.100 -0.066 0.000 0.973 157 R CB -0.075 30.198 30.300 -0.046 0.000 0.869 157 R HN 0.249 nan 8.270 nan 0.000 0.440 158 R N 0.212 120.681 120.500 -0.050 0.000 2.096 158 R HA -0.085 4.255 4.340 0.000 0.000 0.235 158 R C 2.129 178.409 176.300 -0.034 0.000 1.127 158 R CA 1.295 57.373 56.100 -0.035 0.000 0.968 158 R CB -0.093 30.188 30.300 -0.030 0.000 0.861 158 R HN 0.312 nan 8.270 nan 0.000 0.440 159 E N 0.890 121.062 120.200 -0.045 0.000 2.047 159 E HA -0.137 4.213 4.350 0.000 0.000 0.191 159 E C 2.170 178.751 176.600 -0.031 0.000 0.987 159 E CA 0.947 57.325 56.400 -0.038 0.000 0.799 159 E CB -0.143 29.529 29.700 -0.048 0.000 0.752 159 E HN 0.328 nan 8.360 nan 0.000 0.449 160 L N 0.676 121.877 121.223 -0.037 0.000 2.131 160 L HA -0.144 4.196 4.340 0.000 0.000 0.210 160 L C 2.557 179.414 176.870 -0.022 0.000 1.092 160 L CA 0.723 55.546 54.840 -0.028 0.000 0.759 160 L CB -0.363 41.678 42.059 -0.031 0.000 0.903 160 L HN 0.112 nan 8.230 nan 0.000 0.435 161 I N -0.229 120.327 120.570 -0.023 0.000 2.226 161 I HA -0.275 3.895 4.170 0.000 0.000 0.245 161 I C 2.389 178.499 176.117 -0.013 0.000 1.100 161 I CA 1.379 62.669 61.300 -0.018 0.000 1.374 161 I CB -0.182 37.808 38.000 -0.017 0.000 1.057 161 I HN 0.314 nan 8.210 nan 0.000 0.413 162 E N 0.082 120.274 120.200 -0.013 0.000 2.107 162 E HA -0.142 4.208 4.350 0.000 0.000 0.191 162 E C 2.318 178.914 176.600 -0.006 0.000 0.982 162 E CA 0.987 57.382 56.400 -0.009 0.000 0.809 162 E CB 0.052 29.747 29.700 -0.009 0.000 0.756 162 E HN 0.292 nan 8.360 nan 0.000 0.459 163 V N 1.612 121.521 119.914 -0.008 0.000 2.307 163 V HA -0.237 3.883 4.120 0.000 0.000 0.245 163 V C 2.352 178.445 176.094 -0.002 0.000 1.045 163 V CA 1.335 63.632 62.300 -0.005 0.000 1.024 163 V CB -0.372 31.448 31.823 -0.006 0.000 0.651 163 V HN 0.276 nan 8.190 nan 0.000 0.449 164 L N -0.034 121.186 121.223 -0.005 0.000 2.079 164 L HA -0.217 4.123 4.340 0.000 0.000 0.210 164 L C 2.528 179.398 176.870 0.001 0.000 1.081 164 L CA 1.678 56.515 54.840 -0.004 0.000 0.752 164 L CB -0.488 41.565 42.059 -0.010 0.000 0.896 164 L HN 0.403 nan 8.230 nan 0.000 0.433 165 A N -1.071 121.749 122.820 0.001 0.000 2.066 165 A HA -0.204 4.116 4.320 0.000 0.000 0.218 165 A C 2.166 179.758 177.584 0.013 0.000 1.157 165 A CA 1.359 53.401 52.037 0.007 0.000 0.670 165 A CB -0.278 18.725 19.000 0.005 0.000 0.804 165 A HN 0.489 nan 8.150 nan 0.000 0.453 166 E N 0.024 120.230 120.200 0.009 0.000 2.046 166 E HA -0.095 4.255 4.350 0.000 0.000 0.190 166 E C 1.801 178.411 176.600 0.016 0.000 0.982 166 E CA 0.941 57.347 56.400 0.011 0.000 0.800 166 E CB -0.185 29.518 29.700 0.005 0.000 0.756 166 E HN 0.621 nan 8.360 nan 0.000 0.449 167 I N 0.827 121.405 120.570 0.013 0.000 2.208 167 I HA -0.276 3.894 4.170 0.000 0.000 0.245 167 I C 2.711 178.842 176.117 0.023 0.000 1.097 167 I CA 1.268 62.577 61.300 0.016 0.000 1.363 167 I CB -0.278 37.727 38.000 0.010 0.000 1.051 167 I HN 0.105 nan 8.210 nan 0.000 0.413 168 R N 1.070 121.583 120.500 0.022 0.000 2.170 168 R HA -0.158 4.182 4.340 0.000 0.000 0.242 168 R C 1.968 178.301 176.300 0.056 0.000 1.145 168 R CA 1.405 57.522 56.100 0.027 0.000 0.984 168 R CB -0.542 29.770 30.300 0.020 0.000 0.869 168 R HN 0.174 nan 8.270 nan 0.000 0.455 169 V N 0.882 120.838 119.914 0.070 0.000 2.295 169 V HA -0.254 3.866 4.120 0.000 0.000 0.246 169 V C 2.356 178.546 176.094 0.160 0.000 1.049 169 V CA 2.311 64.686 62.300 0.125 0.000 1.024 169 V CB -0.656 31.210 31.823 0.073 0.000 0.648 169 V HN 0.544 nan 8.190 nan 0.000 0.447 170 E N -0.143 120.113 120.200 0.093 0.000 2.085 170 E HA -0.254 4.096 4.350 0.000 0.000 0.194 170 E C 2.128 178.772 176.600 0.072 0.000 0.994 170 E CA 1.322 57.773 56.400 0.085 0.000 0.801 170 E CB -0.089 29.640 29.700 0.047 0.000 0.743 170 E HN 0.414 nan 8.360 nan 0.000 0.453 171 L N 1.560 122.810 121.223 0.044 0.000 2.079 171 L HA -0.192 4.148 4.340 0.000 0.000 0.210 171 L C 1.914 178.770 176.870 -0.024 0.000 1.081 171 L CA 1.669 56.515 54.840 0.010 0.000 0.752 171 L CB -0.439 41.621 42.059 0.001 0.000 0.896 171 L HN 0.151 nan 8.230 nan 0.000 0.433 172 D N -1.893 118.496 120.400 -0.019 0.000 2.234 172 D HA -0.099 4.541 4.640 0.000 0.000 0.205 172 D C 0.166 176.191 176.300 -0.458 0.000 0.962 172 D CA 1.043 54.926 54.000 -0.194 0.000 0.855 172 D CB 0.170 40.886 40.800 -0.140 0.000 0.951 172 D HN 0.336 nan 8.370 nan 0.000 0.500 173 Y N -0.900 119.397 120.300 -0.005 0.000 2.511 173 Y HA 0.260 4.810 4.550 0.000 0.000 0.356 173 Y C -1.834 174.064 175.900 -0.004 0.000 1.002 173 Y CA -1.878 56.220 58.100 -0.004 0.000 1.127 173 Y CB 1.503 39.960 38.460 -0.004 0.000 1.137 173 Y HN -0.109 nan 8.280 nan 0.000 0.652 174 P HA -0.182 nan 4.420 nan 0.000 0.217 174 P C 0.810 178.141 177.300 0.052 0.000 1.151 174 P CA 1.814 64.941 63.100 0.045 0.000 0.849 174 P CB 0.455 32.161 31.700 0.010 0.000 0.787 175 D N -1.143 119.294 120.400 0.061 0.000 2.323 175 D HA -0.047 4.593 4.640 0.000 0.000 0.209 175 D C 1.598 177.933 176.300 0.059 0.000 0.973 175 D CA 0.839 54.870 54.000 0.052 0.000 0.874 175 D CB 0.077 40.903 40.800 0.044 0.000 0.930 175 D HN 0.400 nan 8.370 nan 0.000 0.521 176 E N -0.053 120.200 120.200 0.089 0.000 2.228 176 E HA 0.105 4.455 4.350 0.000 0.000 0.197 176 E C 0.240 176.861 176.600 0.034 0.000 0.909 176 E CA -0.158 56.277 56.400 0.058 0.000 0.911 176 E CB 0.871 30.605 29.700 0.057 0.000 0.887 176 E HN 0.049 nan 8.360 nan 0.000 0.481 177 I N 2.986 123.589 120.570 0.055 0.000 2.428 177 I HA 0.007 4.177 4.170 0.000 0.000 0.289 177 I C 0.012 176.148 176.117 0.032 0.000 1.019 177 I CA -0.424 60.892 61.300 0.027 0.000 1.351 177 I CB 0.894 38.910 38.000 0.027 0.000 1.412 177 I HN -0.017 nan 8.210 nan 0.000 0.513 178 E N 4.656 124.865 120.200 0.015 0.000 2.165 178 E HA 0.320 4.670 4.350 0.000 0.000 0.266 178 E C -1.040 175.567 176.600 0.011 0.000 0.889 178 E CA -0.708 55.701 56.400 0.014 0.000 0.756 178 E CB 0.864 30.569 29.700 0.009 0.000 1.131 178 E HN 0.412 nan 8.360 nan 0.000 0.411 179 T N 3.122 117.684 114.554 0.014 0.000 2.834 179 T HA 0.066 4.416 4.350 0.000 0.000 0.298 179 T C 0.492 175.197 174.700 0.008 0.000 0.966 179 T CA -0.181 61.926 62.100 0.012 0.000 1.141 179 T CB -0.093 68.783 68.868 0.014 0.000 0.905 179 T HN 0.505 nan 8.240 nan 0.000 0.535 180 N N 3.224 121.927 118.700 0.005 0.000 2.671 180 N HA 0.001 4.741 4.740 0.000 0.000 0.274 180 N C 1.287 176.800 175.510 0.005 0.000 1.188 180 N CA -0.349 52.703 53.050 0.004 0.000 1.065 180 N CB 0.181 38.669 38.487 0.002 0.000 1.415 180 N HN 0.466 nan 8.380 nan 0.000 0.511 181 T N 1.858 116.416 114.554 0.006 0.000 2.624 181 T HA -0.214 4.136 4.350 0.000 0.000 0.268 181 T C 1.926 176.629 174.700 0.006 0.000 1.041 181 T CA 1.753 63.857 62.100 0.006 0.000 1.159 181 T CB -0.659 68.213 68.868 0.007 0.000 0.863 181 T HN 0.715 nan 8.240 nan 0.000 0.434 182 G N 1.300 110.103 108.800 0.005 0.000 2.574 182 G HA2 -0.322 3.638 3.960 0.000 0.000 0.220 182 G HA3 -0.322 3.638 3.960 0.000 0.000 0.220 182 G C 1.449 176.351 174.900 0.004 0.000 1.173 182 G CA 1.295 46.398 45.100 0.005 0.000 0.772 182 G HN 0.576 nan 8.290 nan 0.000 0.585 183 E N -0.259 119.943 120.200 0.004 0.000 2.106 183 E HA -0.059 4.291 4.350 0.000 0.000 0.192 183 E C 2.776 179.378 176.600 0.004 0.000 0.984 183 E CA 0.885 57.287 56.400 0.003 0.000 0.806 183 E CB -0.138 29.563 29.700 0.002 0.000 0.750 183 E HN 0.337 nan 8.360 nan 0.000 0.458 184 V N 0.973 120.890 119.914 0.004 0.000 2.358 184 V HA -0.212 3.908 4.120 0.000 0.000 0.246 184 V C 2.345 178.442 176.094 0.005 0.000 1.047 184 V CA 1.148 63.450 62.300 0.004 0.000 1.035 184 V CB -0.257 31.569 31.823 0.005 0.000 0.658 184 V HN 0.120 nan 8.190 nan 0.000 0.452 185 V N 0.975 120.893 119.914 0.006 0.000 2.295 185 V HA -0.278 3.842 4.120 0.000 0.000 0.246 185 V C 2.860 178.958 176.094 0.007 0.000 1.049 185 V CA 2.695 64.999 62.300 0.007 0.000 1.024 185 V CB -1.087 30.740 31.823 0.007 0.000 0.648 185 V HN 0.848 nan 8.190 nan 0.000 0.447 186 T N -1.327 113.231 114.554 0.007 0.000 2.881 186 T HA -0.266 4.084 4.350 0.000 0.000 0.270 186 T C 1.939 176.643 174.700 0.007 0.000 1.068 186 T CA 1.642 63.746 62.100 0.007 0.000 1.131 186 T CB -0.360 68.512 68.868 0.006 0.000 0.871 186 T HN 0.440 nan 8.240 nan 0.000 0.479 187 R N 0.411 120.914 120.500 0.005 0.000 2.093 187 R HA 0.201 4.541 4.340 0.000 0.000 0.224 187 R C 2.470 178.772 176.300 0.003 0.000 1.101 187 R CA 0.699 56.801 56.100 0.003 0.000 0.979 187 R CB -0.333 29.968 30.300 0.001 0.000 0.877 187 R HN 0.415 nan 8.270 nan 0.000 0.441 188 L N 0.476 121.702 121.223 0.005 0.000 2.141 188 L HA -0.112 4.228 4.340 0.000 0.000 0.209 188 L C 2.016 178.892 176.870 0.010 0.000 1.094 188 L CA 1.327 56.171 54.840 0.006 0.000 0.763 188 L CB -0.272 41.792 42.059 0.009 0.000 0.908 188 L HN 0.297 nan 8.230 nan 0.000 0.437 189 E N -0.546 119.661 120.200 0.011 0.000 2.152 189 E HA -0.183 4.167 4.350 0.000 0.000 0.192 189 E C 2.235 178.845 176.600 0.017 0.000 0.983 189 E CA 0.306 56.714 56.400 0.014 0.000 0.818 189 E CB 0.011 29.719 29.700 0.012 0.000 0.758 189 E HN 0.226 nan 8.360 nan 0.000 0.467 190 R N 1.356 121.865 120.500 0.015 0.000 2.075 190 R HA -0.091 4.249 4.340 0.000 0.000 0.232 190 R C 2.127 178.440 176.300 0.022 0.000 1.126 190 R CA 1.052 57.163 56.100 0.018 0.000 0.963 190 R CB -0.471 29.837 30.300 0.013 0.000 0.858 190 R HN 0.224 nan 8.270 nan 0.000 0.435 191 I N 0.901 121.478 120.570 0.011 0.000 2.179 191 I HA -0.299 3.871 4.170 0.000 0.000 0.242 191 I C 2.632 178.762 176.117 0.022 0.000 1.088 191 I CA 1.500 62.801 61.300 0.002 0.000 1.357 191 I CB -0.355 37.636 38.000 -0.014 0.000 1.051 191 I HN 0.183 nan 8.210 nan 0.000 0.409 192 K N 1.087 121.502 120.400 0.026 0.000 2.209 192 K HA -0.261 4.059 4.320 0.000 0.000 0.204 192 K C 2.036 178.667 176.600 0.052 0.000 1.048 192 K CA 1.652 57.962 56.287 0.037 0.000 0.940 192 K CB -0.027 32.490 32.500 0.028 0.000 0.729 192 K HN 0.332 nan 8.250 nan 0.000 0.451 193 E N 0.713 120.941 120.200 0.048 0.000 2.047 193 E HA -0.182 4.168 4.350 0.000 0.000 0.191 193 E C 1.643 178.292 176.600 0.082 0.000 0.987 193 E CA 1.204 57.635 56.400 0.052 0.000 0.799 193 E CB 0.174 29.898 29.700 0.040 0.000 0.752 193 E HN 0.236 nan 8.360 nan 0.000 0.449 194 K N 0.542 121.009 120.400 0.110 0.000 2.026 194 K HA -0.132 4.188 4.320 0.000 0.000 0.208 194 K C 2.336 179.120 176.600 0.307 0.000 1.048 194 K CA 1.162 57.570 56.287 0.201 0.000 0.929 194 K CB -0.233 32.403 32.500 0.225 0.000 0.713 194 K HN 0.229 nan 8.250 nan 0.000 0.439 195 L N 1.046 122.436 121.223 0.278 0.000 2.012 195 L HA -0.222 4.118 4.340 0.000 0.000 0.210 195 L C 2.150 179.119 176.870 0.166 0.000 1.073 195 L CA 1.581 56.607 54.840 0.310 0.000 0.748 195 L CB -0.532 41.629 42.059 0.170 0.000 0.891 195 L HN 0.302 nan 8.230 nan 0.000 0.431 196 T N -0.465 114.149 114.554 0.100 0.000 2.684 196 T HA -0.232 4.118 4.350 0.000 0.000 0.267 196 T C 1.595 176.311 174.700 0.026 0.000 1.036 196 T CA 1.705 63.837 62.100 0.052 0.000 1.148 196 T CB -0.214 68.677 68.868 0.038 0.000 0.863 196 T HN 0.457 nan 8.240 nan 0.000 0.436 197 E N 0.617 120.833 120.200 0.026 0.000 2.085 197 E HA -0.156 4.194 4.350 0.000 0.000 0.194 197 E C 2.448 179.013 176.600 -0.058 0.000 0.994 197 E CA 0.901 57.294 56.400 -0.011 0.000 0.801 197 E CB -0.058 29.639 29.700 -0.005 0.000 0.743 197 E HN 0.439 nan 8.360 nan 0.000 0.453 198 E N 0.751 120.895 120.200 -0.093 0.000 2.072 198 E HA -0.095 4.255 4.350 0.000 0.000 0.190 198 E C 2.271 178.811 176.600 -0.100 0.000 0.982 198 E CA 0.544 56.831 56.400 -0.188 0.000 0.803 198 E CB -0.205 29.244 29.700 -0.418 0.000 0.755 198 E HN 0.306 nan 8.360 nan 0.000 0.453 199 L N 0.851 122.053 121.223 -0.034 0.000 2.265 199 L HA -0.158 4.183 4.340 0.000 0.000 0.215 199 L C 2.252 179.106 176.870 -0.027 0.000 1.117 199 L CA 0.990 55.821 54.840 -0.015 0.000 0.782 199 L CB -0.208 41.860 42.059 0.015 0.000 0.914 199 L HN 0.053 nan 8.230 nan 0.000 0.441 200 K N 0.069 120.450 120.400 -0.032 0.000 2.283 200 K HA -0.133 4.187 4.320 0.000 0.000 0.202 200 K C 1.788 178.361 176.600 -0.045 0.000 1.048 200 K CA 0.953 57.221 56.287 -0.032 0.000 0.948 200 K CB 0.074 32.557 32.500 -0.027 0.000 0.742 200 K HN 0.341 nan 8.250 nan 0.000 0.458 201 K N 0.064 120.426 120.400 -0.063 0.000 2.356 201 K HA 0.135 4.455 4.320 0.000 0.000 0.195 201 K C 2.006 178.562 176.600 -0.073 0.000 1.037 201 K CA 0.443 56.684 56.287 -0.076 0.000 1.014 201 K CB 0.263 32.703 32.500 -0.100 0.000 0.815 201 K HN 0.026 nan 8.250 nan 0.000 0.507 202 A N 2.524 125.306 122.820 -0.063 0.000 1.884 202 A HA -0.278 4.042 4.320 0.000 0.000 0.219 202 A C 1.693 179.247 177.584 -0.051 0.000 1.197 202 A CA 2.137 54.141 52.037 -0.054 0.000 0.637 202 A CB -0.527 18.451 19.000 -0.037 0.000 0.827 202 A HN 0.188 nan 8.150 nan 0.000 0.450 203 D N -0.310 120.064 120.400 -0.043 0.000 2.117 203 D HA -0.077 4.563 4.640 0.000 0.000 0.197 203 D C 2.273 178.542 176.300 -0.051 0.000 0.987 203 D CA 1.578 55.553 54.000 -0.041 0.000 0.829 203 D CB -0.392 40.388 40.800 -0.033 0.000 0.961 203 D HN 0.453 nan 8.370 nan 0.000 0.460 204 A N 0.879 123.664 122.820 -0.058 0.000 1.898 204 A HA -0.014 4.306 4.320 0.000 0.000 0.216 204 A C 2.391 179.924 177.584 -0.084 0.000 1.181 204 A CA 2.029 54.025 52.037 -0.068 0.000 0.620 204 A CB -1.017 17.941 19.000 -0.071 0.000 0.819 204 A HN 0.299 nan 8.150 nan 0.000 0.442 205 G N 0.139 108.887 108.800 -0.087 0.000 2.440 205 G HA2 -0.210 3.750 3.960 0.000 0.000 0.218 205 G HA3 -0.210 3.750 3.960 0.000 0.000 0.218 205 G C 1.517 176.368 174.900 -0.081 0.000 1.154 205 G CA 1.187 46.231 45.100 -0.093 0.000 0.767 205 G HN 0.480 nan 8.290 nan 0.000 0.552 206 I N -0.084 120.445 120.570 -0.069 0.000 2.252 206 I HA -0.100 4.070 4.170 0.000 0.000 0.245 206 I C 2.560 178.635 176.117 -0.070 0.000 1.102 206 I CA 0.240 61.503 61.300 -0.063 0.000 1.385 206 I CB -0.173 37.797 38.000 -0.051 0.000 1.064 206 I HN 0.071 nan 8.210 nan 0.000 0.414 207 L N 0.380 121.558 121.223 -0.075 0.000 2.012 207 L HA -0.202 4.138 4.340 0.000 0.000 0.210 207 L C 2.380 179.181 176.870 -0.114 0.000 1.073 207 L CA 1.911 56.697 54.840 -0.090 0.000 0.748 207 L CB -0.906 41.102 42.059 -0.086 0.000 0.891 207 L HN 0.194 nan 8.230 nan 0.000 0.431 208 L N -1.131 120.027 121.223 -0.107 0.000 2.027 208 L HA -0.221 4.119 4.340 0.000 0.000 0.206 208 L C 2.263 179.076 176.870 -0.095 0.000 1.074 208 L CA 1.394 56.170 54.840 -0.108 0.000 0.745 208 L CB -0.591 41.407 42.059 -0.103 0.000 0.898 208 L HN 0.338 nan 8.230 nan 0.000 0.433 209 N N 0.368 119.016 118.700 -0.085 0.000 2.166 209 N HA -0.165 4.575 4.740 0.000 0.000 0.186 209 N C 1.853 177.319 175.510 -0.074 0.000 1.019 209 N CA 1.376 54.381 53.050 -0.076 0.000 0.856 209 N CB 0.112 38.557 38.487 -0.071 0.000 0.993 209 N HN 0.200 nan 8.380 nan 0.000 0.426 210 R N -1.209 119.245 120.500 -0.076 0.000 2.237 210 R HA 0.312 4.652 4.340 0.000 0.000 0.195 210 R C 0.430 176.683 176.300 -0.078 0.000 0.956 210 R CA 0.516 56.575 56.100 -0.069 0.000 1.029 210 R CB 0.351 30.615 30.300 -0.060 0.000 0.972 210 R HN 0.176 nan 8.270 nan 0.000 0.493 211 G N 1.698 110.430 108.800 -0.114 0.000 2.785 211 G HA2 -0.178 3.782 3.960 0.000 0.000 0.686 211 G HA3 -0.178 3.782 3.960 0.000 0.000 0.686 211 G C -0.520 174.282 174.900 -0.165 0.000 1.155 211 G CA -1.003 43.998 45.100 -0.166 0.000 0.760 211 G HN 0.045 nan 8.290 nan 0.000 0.624 212 L N 1.239 122.299 121.223 -0.272 0.000 2.397 212 L HA 0.497 4.837 4.340 0.000 0.000 0.271 212 L C 1.364 178.222 176.870 -0.020 0.000 1.148 212 L CA -0.716 54.035 54.840 -0.149 0.000 0.825 212 L CB 0.921 42.879 42.059 -0.169 0.000 1.117 212 L HN 0.708 nan 8.230 nan 0.000 0.456 213 R N 3.662 124.172 120.500 0.017 0.000 2.242 213 R HA 0.322 4.662 4.340 0.000 0.000 0.334 213 R C -0.599 175.760 176.300 0.098 0.000 1.071 213 R CA -0.244 55.887 56.100 0.050 0.000 0.922 213 R CB 0.607 30.923 30.300 0.027 0.000 1.023 213 R HN 0.676 nan 8.270 nan 0.000 0.458 214 M N 6.064 125.750 119.600 0.143 0.000 2.149 214 M HA 0.235 4.715 4.480 0.000 0.000 0.342 214 M C -1.503 174.855 176.300 0.096 0.000 1.068 214 M CA -0.682 54.714 55.300 0.159 0.000 0.991 214 M CB 1.667 34.409 32.600 0.237 0.000 1.596 214 M HN 0.411 nan 8.290 nan 0.000 0.439 215 V N 7.480 127.440 119.914 0.077 0.000 2.394 215 V HA 0.494 4.614 4.120 0.000 0.000 0.282 215 V C -0.498 175.633 176.094 0.062 0.000 1.031 215 V CA -0.521 61.813 62.300 0.055 0.000 0.881 215 V CB 1.385 33.229 31.823 0.035 0.000 0.982 215 V HN 0.858 nan 8.190 nan 0.000 0.451 216 I N 7.314 127.918 120.570 0.058 0.000 2.321 216 I HA 0.419 4.589 4.170 0.000 0.000 0.291 216 I C -0.485 175.684 176.117 0.087 0.000 0.998 216 I CA -0.531 60.812 61.300 0.071 0.000 1.227 216 I CB 1.674 39.703 38.000 0.048 0.000 1.368 216 I HN 0.291 nan 8.210 nan 0.000 0.466 217 V N 5.348 125.351 119.914 0.148 0.000 2.513 217 V HA 0.947 5.067 4.120 0.000 0.000 0.299 217 V C 0.343 176.625 176.094 0.313 0.000 1.035 217 V CA -0.356 62.056 62.300 0.186 0.000 0.889 217 V CB 1.526 33.411 31.823 0.102 0.000 0.988 217 V HN 1.001 nan 8.190 nan 0.000 0.440 218 G N 3.192 112.129 108.800 0.227 0.000 2.338 218 G HA2 0.487 4.447 3.960 0.000 0.000 0.295 218 G HA3 0.487 4.447 3.960 0.000 0.000 0.295 218 G C -1.807 173.162 174.900 0.115 0.000 1.461 218 G CA -1.011 44.202 45.100 0.188 0.000 0.817 218 G HN 0.515 nan 8.290 nan 0.000 0.556 219 K N 0.953 121.402 120.400 0.081 0.000 2.154 219 K HA 0.502 4.822 4.320 0.000 0.000 0.264 219 K C -1.531 175.088 176.600 0.032 0.000 1.008 219 K CA -1.942 54.377 56.287 0.053 0.000 0.937 219 K CB 1.019 33.543 32.500 0.040 0.000 1.002 219 K HN 0.106 nan 8.250 nan 0.000 0.469 220 P HA -0.290 nan 4.420 nan 0.000 0.219 220 P C 0.218 177.525 177.300 0.011 0.000 1.158 220 P CA 1.830 64.940 63.100 0.017 0.000 0.895 220 P CB 0.014 31.723 31.700 0.014 0.000 0.792 221 N N -0.657 118.047 118.700 0.008 0.000 2.166 221 N HA -0.146 4.594 4.740 0.000 0.000 0.186 221 N C 1.451 176.959 175.510 -0.003 0.000 1.019 221 N CA 1.741 54.792 53.050 0.001 0.000 0.856 221 N CB -1.840 36.646 38.487 -0.002 0.000 0.993 221 N HN 0.191 nan 8.380 nan 0.000 0.426 222 V N -2.488 117.424 119.914 -0.003 0.000 2.809 222 V HA 0.223 4.343 4.120 0.000 0.000 0.256 222 V C 2.107 178.200 176.094 -0.002 0.000 1.080 222 V CA 1.522 63.816 62.300 -0.009 0.000 1.102 222 V CB -1.257 30.554 31.823 -0.019 0.000 0.705 222 V HN 0.350 nan 8.190 nan 0.000 0.475 223 G N 0.251 109.055 108.800 0.007 0.000 2.471 223 G HA2 -0.150 3.810 3.960 0.000 0.000 0.219 223 G HA3 -0.150 3.810 3.960 0.000 0.000 0.219 223 G C 1.538 176.440 174.900 0.004 0.000 1.125 223 G CA 0.676 45.781 45.100 0.009 0.000 0.775 223 G HN 0.584 nan 8.290 nan 0.000 0.548 224 K N 0.828 121.228 120.400 0.001 0.000 2.374 224 K HA 0.137 4.457 4.320 0.000 0.000 0.196 224 K C 1.148 177.745 176.600 -0.005 0.000 1.023 224 K CA 0.045 56.331 56.287 -0.002 0.000 1.103 224 K CB 0.513 33.012 32.500 -0.001 0.000 0.848 224 K HN 0.335 nan 8.250 nan 0.000 0.528 225 S N -0.082 115.613 115.700 -0.008 0.000 2.568 225 S HA -0.009 4.461 4.470 0.000 0.000 0.282 225 S C 1.113 175.706 174.600 -0.011 0.000 1.338 225 S CA -0.270 57.923 58.200 -0.012 0.000 1.045 225 S CB 1.257 64.447 63.200 -0.016 0.000 0.873 225 S HN 0.038 nan 8.310 nan 0.000 0.516 226 T N 2.202 116.748 114.554 -0.013 0.000 2.867 226 T HA -0.071 4.279 4.350 0.000 0.000 0.268 226 T C 1.623 176.314 174.700 -0.015 0.000 1.057 226 T CA 1.108 63.201 62.100 -0.012 0.000 1.136 226 T CB -0.487 68.374 68.868 -0.012 0.000 0.874 226 T HN 0.546 nan 8.240 nan 0.000 0.466 227 L N 0.991 122.204 121.223 -0.018 0.000 2.012 227 L HA -0.015 4.325 4.340 0.000 0.000 0.210 227 L C 2.070 178.926 176.870 -0.022 0.000 1.073 227 L CA 1.742 56.569 54.840 -0.022 0.000 0.748 227 L CB -0.588 41.456 42.059 -0.025 0.000 0.891 227 L HN 0.257 nan 8.230 nan 0.000 0.431 228 L N -0.886 120.326 121.223 -0.019 0.000 2.131 228 L HA -0.120 4.220 4.340 0.000 0.000 0.206 228 L C 2.282 179.145 176.870 -0.013 0.000 1.087 228 L CA 0.831 55.661 54.840 -0.016 0.000 0.767 228 L CB -0.646 41.408 42.059 -0.010 0.000 0.917 228 L HN 0.378 nan 8.230 nan 0.000 0.441 229 N N 0.068 118.762 118.700 -0.010 0.000 2.244 229 N HA -0.133 4.607 4.740 0.000 0.000 0.183 229 N C 1.894 177.398 175.510 -0.010 0.000 1.016 229 N CA 0.926 53.971 53.050 -0.008 0.000 0.866 229 N CB 0.023 38.506 38.487 -0.006 0.000 0.980 229 N HN 0.339 nan 8.380 nan 0.000 0.430 230 R N 0.610 121.102 120.500 -0.013 0.000 2.093 230 R HA -0.022 4.318 4.340 0.000 0.000 0.224 230 R C 2.147 178.436 176.300 -0.018 0.000 1.101 230 R CA 0.362 56.453 56.100 -0.015 0.000 0.979 230 R CB -0.486 29.804 30.300 -0.017 0.000 0.877 230 R HN 0.135 nan 8.270 nan 0.000 0.441 231 L N 1.067 122.276 121.223 -0.023 0.000 2.012 231 L HA -0.164 4.176 4.340 0.000 0.000 0.210 231 L C 1.848 178.705 176.870 -0.022 0.000 1.073 231 L CA 1.744 56.566 54.840 -0.031 0.000 0.748 231 L CB -0.427 41.606 42.059 -0.043 0.000 0.891 231 L HN 0.034 nan 8.230 nan 0.000 0.431 232 L N -0.269 120.946 121.223 -0.014 0.000 2.291 232 L HA -0.062 4.278 4.340 0.000 0.000 0.214 232 L C 2.245 179.115 176.870 0.000 0.000 1.120 232 L CA 1.174 56.012 54.840 -0.003 0.000 0.799 232 L CB -1.019 41.041 42.059 0.001 0.000 0.925 232 L HN 0.387 nan 8.230 nan 0.000 0.446 233 N N -0.815 117.882 118.700 -0.004 0.000 2.333 233 N HA -0.043 4.697 4.740 0.000 0.000 0.183 233 N C 1.585 177.093 175.510 -0.003 0.000 1.030 233 N CA 0.713 53.761 53.050 -0.002 0.000 0.867 233 N CB 0.198 38.682 38.487 -0.004 0.000 1.027 233 N HN 0.387 nan 8.380 nan 0.000 0.435 234 E N 0.691 120.886 120.200 -0.007 0.000 2.150 234 E HA -0.095 4.255 4.350 0.000 0.000 0.193 234 E C 0.128 176.725 176.600 -0.006 0.000 0.985 234 E CA 0.837 57.232 56.400 -0.008 0.000 0.814 234 E CB 0.088 29.780 29.700 -0.013 0.000 0.752 234 E HN 0.264 nan 8.360 nan 0.000 0.466 235 D N 0.307 120.704 120.400 -0.004 0.000 2.363 235 D HA 0.015 4.655 4.640 0.000 0.000 0.214 235 D C 0.287 176.597 176.300 0.018 0.000 1.093 235 D CA -0.064 53.938 54.000 0.004 0.000 0.837 235 D CB 0.035 40.833 40.800 -0.004 0.000 0.948 235 D HN -0.012 nan 8.370 nan 0.000 0.507 236 R N 1.157 121.665 120.500 0.014 0.000 2.566 236 R HA 0.133 4.473 4.340 0.000 0.000 0.273 236 R C 0.014 176.328 176.300 0.024 0.000 0.981 236 R CA -0.022 56.090 56.100 0.019 0.000 1.091 236 R CB 0.453 30.761 30.300 0.012 0.000 0.924 236 R HN -0.057 nan 8.270 nan 0.000 0.411 237 A N 5.177 128.017 122.820 0.032 0.000 2.407 237 A HA 0.143 4.463 4.320 0.000 0.000 0.248 237 A C 0.462 178.055 177.584 0.015 0.000 1.082 237 A CA -0.495 51.559 52.037 0.029 0.000 0.785 237 A CB 0.268 19.290 19.000 0.036 0.000 1.020 237 A HN 0.903 nan 8.150 nan 0.000 0.489 238 I N 2.362 122.937 120.570 0.010 0.000 2.845 238 I HA 0.041 4.211 4.170 0.000 0.000 0.296 238 I C -0.104 176.013 176.117 -0.001 0.000 1.216 238 I CA 0.221 61.522 61.300 0.002 0.000 1.438 238 I CB 0.476 38.474 38.000 -0.003 0.000 1.342 238 I HN 0.385 nan 8.210 nan 0.000 0.577 239 V N 7.395 127.307 119.914 -0.003 0.000 2.530 239 V HA 0.136 4.256 4.120 0.000 0.000 0.282 239 V C 1.060 177.148 176.094 -0.009 0.000 1.048 239 V CA 0.503 62.801 62.300 -0.004 0.000 0.997 239 V CB 1.026 32.847 31.823 -0.003 0.000 0.987 239 V HN 0.979 nan 8.190 nan 0.000 0.477 240 T N -0.201 114.346 114.554 -0.011 0.000 3.019 240 T HA 0.142 4.492 4.350 0.000 0.000 0.247 240 T C 0.153 174.844 174.700 -0.015 0.000 0.992 240 T CA 0.083 62.172 62.100 -0.017 0.000 1.036 240 T CB 0.104 68.958 68.868 -0.023 0.000 1.063 240 T HN 0.676 nan 8.240 nan 0.000 0.476 241 D N 1.378 121.771 120.400 -0.011 0.000 2.381 241 D HA 0.630 5.270 4.640 0.000 0.000 0.235 241 D C 1.277 177.574 176.300 -0.004 0.000 1.068 241 D CA -0.457 53.539 54.000 -0.008 0.000 0.832 241 D CB 1.155 41.951 40.800 -0.007 0.000 1.101 241 D HN 0.219 nan 8.370 nan 0.000 0.515 242 I N 1.986 122.554 120.570 -0.003 0.000 2.226 242 I HA 0.026 4.196 4.170 0.000 0.000 0.245 242 I C 1.023 177.141 176.117 0.001 0.000 1.100 242 I CA 1.730 63.029 61.300 -0.002 0.000 1.374 242 I CB -2.351 35.648 38.000 -0.002 0.000 1.057 242 I HN 0.641 nan 8.210 nan 0.000 0.413 243 P HA -0.014 nan 4.420 nan 0.000 0.215 243 P C 1.796 179.098 177.300 0.004 0.000 1.163 243 P CA 3.218 66.320 63.100 0.004 0.000 0.894 243 P CB -0.847 30.857 31.700 0.006 0.000 0.791 244 G N -3.289 105.512 108.800 0.003 0.000 2.175 244 G HA2 0.159 4.119 3.960 0.000 0.000 0.265 244 G HA3 0.159 4.119 3.960 0.000 0.000 0.265 244 G C 0.805 175.708 174.900 0.005 0.000 0.979 244 G CA 1.226 46.328 45.100 0.003 0.000 0.663 244 G HN 1.911 nan 8.290 nan 0.000 0.533 245 T N -1.459 113.098 114.554 0.006 0.000 1.654 245 T HA 0.399 4.749 4.350 0.000 0.000 0.631 245 T C 1.432 176.136 174.700 0.007 0.000 0.940 245 T CA 1.945 64.048 62.100 0.006 0.000 3.353 245 T CB -1.970 66.902 68.868 0.006 0.000 1.933 245 T HN 2.613 nan 8.240 nan 0.000 0.395 246 T N 1.333 115.891 114.554 0.007 0.000 2.750 246 T HA 0.675 5.025 4.350 0.000 0.000 0.277 246 T C 1.347 176.051 174.700 0.007 0.000 0.996 246 T CA 2.135 64.240 62.100 0.007 0.000 1.195 246 T CB -0.543 68.329 68.868 0.007 0.000 0.963 246 T HN 2.642 nan 8.240 nan 0.000 0.516 247 R N 0.290 120.794 120.500 0.007 0.000 1.933 247 R HA 0.343 4.683 4.340 0.000 0.000 0.367 247 R C -0.312 175.992 176.300 0.007 0.000 1.206 247 R CA 1.569 57.673 56.100 0.007 0.000 1.060 247 R CB -2.120 28.183 30.300 0.006 0.000 3.102 247 R HN 2.447 nan 8.270 nan 0.000 0.490 248 D N -0.285 120.119 120.400 0.007 0.000 2.819 248 D HA 0.958 5.598 4.640 0.000 0.000 0.232 248 D C 1.611 177.916 176.300 0.009 0.000 1.160 248 D CA 0.017 54.022 54.000 0.007 0.000 0.858 248 D CB 1.516 42.320 40.800 0.007 0.000 1.610 248 D HN 1.992 nan 8.370 nan 0.000 0.481 249 V N 0.128 120.047 119.914 0.008 0.000 2.568 249 V HA 0.140 4.260 4.120 0.000 0.000 0.253 249 V C 1.132 177.234 176.094 0.014 0.000 1.072 249 V CA 1.384 63.690 62.300 0.010 0.000 1.084 249 V CB -0.720 31.108 31.823 0.008 0.000 0.676 249 V HN 0.656 nan 8.190 nan 0.000 0.469 250 I N 0.396 120.975 120.570 0.015 0.000 2.312 250 I HA 0.258 4.429 4.170 0.000 0.000 0.291 250 I C 1.526 177.655 176.117 0.020 0.000 1.031 250 I CA 0.494 61.806 61.300 0.020 0.000 1.293 250 I CB 1.291 39.304 38.000 0.021 0.000 1.403 250 I HN 0.090 nan 8.210 nan 0.000 0.484 251 S N 4.975 120.688 115.700 0.022 0.000 2.355 251 S HA -0.043 4.427 4.470 0.000 0.000 0.222 251 S C 0.516 175.128 174.600 0.021 0.000 1.031 251 S CA 0.947 59.158 58.200 0.020 0.000 0.993 251 S CB -0.241 62.972 63.200 0.021 0.000 0.859 251 S HN 0.812 nan 8.310 nan 0.000 0.453 252 E N -0.385 119.831 120.200 0.027 0.000 2.402 252 E HA 0.467 4.817 4.350 0.000 0.000 0.270 252 E C -1.823 174.801 176.600 0.041 0.000 1.131 252 E CA -0.925 55.492 56.400 0.028 0.000 0.884 252 E CB 0.971 30.684 29.700 0.023 0.000 1.564 252 E HN 0.142 nan 8.360 nan 0.000 0.456 253 E N 0.589 120.815 120.200 0.043 0.000 2.293 253 E HA 0.633 4.983 4.350 0.000 0.000 0.270 253 E C -0.580 176.062 176.600 0.071 0.000 0.879 253 E CA -0.771 55.668 56.400 0.064 0.000 0.756 253 E CB 2.736 32.467 29.700 0.051 0.000 1.208 253 E HN 0.493 nan 8.360 nan 0.000 0.428 254 I N -2.161 118.477 120.570 0.114 0.000 3.042 254 I HA 0.744 4.914 4.170 0.000 0.000 0.310 254 I C -1.118 175.111 176.117 0.187 0.000 1.117 254 I CA -1.243 60.122 61.300 0.109 0.000 1.003 254 I CB 2.055 40.094 38.000 0.065 0.000 1.228 254 I HN 0.214 nan 8.210 nan 0.000 0.443 255 V N 4.746 124.748 119.914 0.148 0.000 2.483 255 V HA 0.495 4.615 4.120 0.000 0.000 0.297 255 V C -0.430 175.760 176.094 0.159 0.000 1.027 255 V CA -0.401 62.008 62.300 0.183 0.000 0.855 255 V CB 1.701 33.585 31.823 0.101 0.000 0.995 255 V HN 0.444 nan 8.190 nan 0.000 0.424 256 I N 5.595 126.319 120.570 0.257 0.000 2.418 256 I HA 0.565 4.735 4.170 0.000 0.000 0.287 256 I C 0.523 176.731 176.117 0.151 0.000 1.008 256 I CA -0.699 60.695 61.300 0.156 0.000 1.104 256 I CB 1.571 39.642 38.000 0.118 0.000 1.264 256 I HN 0.648 nan 8.210 nan 0.000 0.438 257 R N 4.264 124.764 120.500 0.000 0.000 3.322 257 R HA -0.217 4.123 4.340 0.000 0.000 0.253 257 R C 1.037 177.335 176.300 -0.002 0.000 0.987 257 R CA 0.773 56.800 56.100 -0.123 0.000 0.666 257 R CB -2.074 27.977 30.300 -0.415 0.000 1.072 257 R HN 1.199 nan 8.270 nan 0.000 0.447 258 G N -0.744 108.092 108.800 0.060 0.000 2.168 258 G HA2 -0.330 3.630 3.960 0.000 0.000 0.263 258 G HA3 -0.330 3.630 3.960 0.000 0.000 0.263 258 G C 0.292 175.282 174.900 0.151 0.000 0.977 258 G CA 0.526 45.692 45.100 0.110 0.000 0.659 258 G HN 0.476 nan 8.290 nan 0.000 0.533 259 I N 0.409 121.088 120.570 0.181 0.000 2.404 259 I HA 0.509 4.679 4.170 0.000 0.000 0.293 259 I C 0.214 176.358 176.117 0.044 0.000 0.992 259 I CA -1.178 60.185 61.300 0.105 0.000 1.149 259 I CB 1.656 39.739 38.000 0.139 0.000 1.315 259 I HN 0.061 nan 8.210 nan 0.000 0.446 260 L N 7.070 128.230 121.223 -0.106 0.000 2.349 260 L HA 0.480 4.820 4.340 0.000 0.000 0.275 260 L C -1.376 175.322 176.870 -0.287 0.000 1.115 260 L CA 0.573 55.373 54.840 -0.067 0.000 0.820 260 L CB 0.378 42.403 42.059 -0.057 0.000 1.135 260 L HN 0.274 nan 8.230 nan 0.000 0.445 261 F N 3.984 123.950 119.950 0.025 0.000 2.536 261 F HA 0.542 5.069 4.527 0.000 0.000 0.322 261 F C 0.001 175.810 175.800 0.016 0.000 1.144 261 F CA -0.650 57.364 58.000 0.023 0.000 0.924 261 F CB 1.466 40.483 39.000 0.028 0.000 1.181 261 F HN 0.310 nan 8.300 nan 0.000 0.438 262 R N 4.028 124.612 120.500 0.141 0.000 2.207 262 R HA 0.509 4.849 4.340 0.000 0.000 0.334 262 R C -0.723 175.639 176.300 0.102 0.000 1.013 262 R CA -0.656 55.498 56.100 0.090 0.000 0.858 262 R CB 0.916 31.241 30.300 0.040 0.000 1.094 262 R HN 0.420 nan 8.270 nan 0.000 0.457 263 I N 3.794 124.417 120.570 0.088 0.000 2.395 263 I HA 0.142 4.312 4.170 0.000 0.000 0.289 263 I C 0.264 176.411 176.117 0.050 0.000 1.023 263 I CA -0.492 60.852 61.300 0.072 0.000 1.350 263 I CB 1.442 39.477 38.000 0.058 0.000 1.409 263 I HN 0.296 nan 8.210 nan 0.000 0.507 264 V N 5.536 125.478 119.914 0.047 0.000 2.304 264 V HA 0.145 4.265 4.120 0.000 0.000 0.278 264 V C -0.144 175.970 176.094 0.033 0.000 1.018 264 V CA -0.655 61.666 62.300 0.034 0.000 0.814 264 V CB 1.422 33.263 31.823 0.031 0.000 1.021 264 V HN 0.637 nan 8.190 nan 0.000 0.440 265 D N 3.297 123.714 120.400 0.028 0.000 2.365 265 D HA 0.202 4.842 4.640 0.000 0.000 0.237 265 D C 0.986 177.301 176.300 0.025 0.000 1.190 265 D CA 0.281 54.297 54.000 0.028 0.000 0.867 265 D CB 1.740 42.554 40.800 0.023 0.000 1.050 265 D HN 0.444 nan 8.370 nan 0.000 0.491 266 T N 2.119 116.692 114.554 0.031 0.000 3.037 266 T HA 0.152 4.502 4.350 0.000 0.000 0.252 266 T C 1.643 176.364 174.700 0.034 0.000 1.073 266 T CA 0.728 62.845 62.100 0.028 0.000 1.091 266 T CB 0.280 69.164 68.868 0.026 0.000 0.935 266 T HN 0.476 nan 8.240 nan 0.000 0.488 267 A N 0.762 123.608 122.820 0.042 0.000 1.930 267 A HA 0.501 4.821 4.320 0.000 0.000 0.215 267 A C 1.656 179.257 177.584 0.029 0.000 1.176 267 A CA 1.031 53.094 52.037 0.043 0.000 0.632 267 A CB -0.566 18.463 19.000 0.049 0.000 0.819 267 A HN 0.804 nan 8.150 nan 0.000 0.445 268 G N -0.358 108.456 108.800 0.023 0.000 2.526 268 G HA2 0.056 4.016 3.960 0.000 0.000 0.225 268 G HA3 0.056 4.016 3.960 0.000 0.000 0.225 268 G C 0.035 174.943 174.900 0.013 0.000 1.120 268 G CA -0.086 45.024 45.100 0.017 0.000 0.904 268 G HN 1.661 nan 8.290 nan 0.000 0.498 269 V N -1.456 118.466 119.914 0.013 0.000 2.458 269 V HA 0.819 4.939 4.120 0.000 0.000 0.287 269 V C 0.331 176.428 176.094 0.006 0.000 1.009 269 V CA 0.187 62.492 62.300 0.009 0.000 1.091 269 V CB 0.996 32.823 31.823 0.008 0.000 0.960 269 V HN 1.050 nan 8.190 nan 0.000 0.476 270 R N 3.621 124.123 120.500 0.004 0.000 2.728 270 R HA 0.602 4.942 4.340 0.000 0.000 0.274 270 R C 0.274 176.574 176.300 0.001 0.000 1.030 270 R CA 0.256 56.358 56.100 0.003 0.000 0.876 270 R CB 1.458 31.760 30.300 0.004 0.000 1.259 270 R HN 0.606 nan 8.270 nan 0.000 0.468 271 S N 0.290 115.991 115.700 0.001 0.000 2.694 271 S HA 0.056 4.526 4.470 0.000 0.000 0.225 271 S C 0.408 175.008 174.600 -0.000 0.000 1.012 271 S CA 0.469 58.669 58.200 -0.001 0.000 0.896 271 S CB -0.014 63.185 63.200 -0.001 0.000 0.838 271 S HN 0.672 nan 8.310 nan 0.000 0.604 272 E N 2.038 122.238 120.200 0.000 0.000 2.515 272 E HA 0.191 4.542 4.350 0.000 0.000 0.201 272 E C 0.735 177.335 176.600 0.001 0.000 1.071 272 E CA 0.819 57.219 56.400 0.000 0.000 0.880 272 E CB -1.122 28.579 29.700 0.001 0.000 0.828 272 E HN 0.669 nan 8.360 nan 0.000 0.540 273 T N -1.269 113.286 114.554 0.001 0.000 3.967 273 T HA -0.272 4.078 4.350 0.000 0.000 0.366 273 T C 0.490 175.192 174.700 0.003 0.000 0.759 273 T CA 0.400 62.501 62.100 0.002 0.000 1.971 273 T CB -2.842 66.027 68.868 0.002 0.000 1.806 273 T HN 0.694 nan 8.240 nan 0.000 0.825 274 N N -0.282 118.419 118.700 0.003 0.000 1.807 274 N HA 0.382 5.122 4.740 0.000 0.000 0.325 274 N C 0.747 176.259 175.510 0.003 0.000 1.287 274 N CA 1.629 54.681 53.050 0.003 0.000 0.790 274 N CB -0.734 37.755 38.487 0.004 0.000 1.020 274 N HN 1.757 nan 8.380 nan 0.000 0.505 275 D N -0.099 120.303 120.400 0.003 0.000 2.676 275 D HA 0.597 5.237 4.640 0.000 0.000 0.239 275 D C 0.946 177.248 176.300 0.003 0.000 1.213 275 D CA 0.832 54.833 54.000 0.003 0.000 0.835 275 D CB -0.686 40.115 40.800 0.002 0.000 1.009 275 D HN 1.939 nan 8.370 nan 0.000 0.479 276 L N -1.924 119.301 121.223 0.004 0.000 3.153 276 L HA 0.673 5.013 4.340 0.000 0.000 0.354 276 L C 0.165 177.038 176.870 0.005 0.000 1.300 276 L CA 0.192 55.034 54.840 0.004 0.000 0.831 276 L CB -0.466 41.595 42.059 0.004 0.000 1.209 276 L HN 0.809 nan 8.230 nan 0.000 0.574 277 V N -0.507 119.410 119.914 0.005 0.000 2.311 277 V HA 0.842 4.962 4.120 0.000 0.000 0.275 277 V C 0.437 176.535 176.094 0.006 0.000 1.022 277 V CA -0.013 62.290 62.300 0.006 0.000 0.830 277 V CB 0.895 32.722 31.823 0.007 0.000 1.012 277 V HN 1.166 nan 8.190 nan 0.000 0.452 278 E N 4.116 124.319 120.200 0.006 0.000 1.944 278 E HA 0.551 4.901 4.350 0.000 0.000 0.272 278 E C 0.668 177.273 176.600 0.007 0.000 1.195 278 E CA -0.046 56.358 56.400 0.006 0.000 0.926 278 E CB -0.303 29.400 29.700 0.005 0.000 1.051 278 E HN 1.760 nan 8.360 nan 0.000 0.404 279 R N 1.043 121.548 120.500 0.008 0.000 2.473 279 R HA 0.547 4.887 4.340 0.000 0.000 0.315 279 R C 0.957 177.263 176.300 0.009 0.000 0.972 279 R CA 0.457 56.563 56.100 0.010 0.000 1.047 279 R CB -1.412 28.895 30.300 0.011 0.000 0.932 279 R HN 1.835 nan 8.270 nan 0.000 0.411 280 L N 2.429 123.658 121.223 0.010 0.000 2.525 280 L HA 0.573 4.913 4.340 0.000 0.000 0.278 280 L C 1.314 178.187 176.870 0.005 0.000 1.218 280 L CA 0.192 55.036 54.840 0.007 0.000 0.878 280 L CB -0.406 41.657 42.059 0.008 0.000 1.127 280 L HN 1.240 nan 8.230 nan 0.000 0.492 281 G N 1.037 109.838 108.800 0.002 0.000 2.572 281 G HA2 0.395 4.355 3.960 0.000 0.000 0.261 281 G HA3 0.395 4.355 3.960 0.000 0.000 0.261 281 G C 1.165 176.062 174.900 -0.005 0.000 1.197 281 G CA 0.256 45.355 45.100 -0.000 0.000 0.870 281 G HN 1.280 nan 8.290 nan 0.000 0.548 282 I N -0.100 120.467 120.570 -0.007 0.000 2.361 282 I HA -0.128 4.042 4.170 0.000 0.000 0.251 282 I C 2.662 178.766 176.117 -0.022 0.000 1.133 282 I CA 1.682 62.974 61.300 -0.015 0.000 1.413 282 I CB -0.013 37.979 38.000 -0.013 0.000 1.073 282 I HN 0.707 nan 8.210 nan 0.000 0.424 283 E N 1.333 121.523 120.200 -0.017 0.000 2.072 283 E HA -0.314 4.036 4.350 0.000 0.000 0.191 283 E C 2.150 178.739 176.600 -0.019 0.000 0.985 283 E CA 1.182 57.571 56.400 -0.018 0.000 0.801 283 E CB -0.730 28.962 29.700 -0.013 0.000 0.750 283 E HN 0.368 nan 8.360 nan 0.000 0.452 284 R N 1.208 121.700 120.500 -0.014 0.000 2.115 284 R HA 0.001 4.341 4.340 0.000 0.000 0.230 284 R C 2.204 178.493 176.300 -0.017 0.000 1.111 284 R CA 2.009 58.102 56.100 -0.012 0.000 0.976 284 R CB -1.075 29.221 30.300 -0.006 0.000 0.870 284 R HN 0.238 nan 8.270 nan 0.000 0.445 285 T N 1.490 116.031 114.554 -0.021 0.000 2.708 285 T HA -0.069 4.281 4.350 0.000 0.000 0.266 285 T C 1.477 176.148 174.700 -0.047 0.000 1.037 285 T CA 1.217 63.298 62.100 -0.031 0.000 1.146 285 T CB -0.135 68.711 68.868 -0.036 0.000 0.865 285 T HN 0.059 nan 8.240 nan 0.000 0.435 286 L N 1.327 122.519 121.223 -0.052 0.000 2.131 286 L HA -0.086 4.254 4.340 0.000 0.000 0.210 286 L C 2.512 179.355 176.870 -0.045 0.000 1.092 286 L CA 1.669 56.473 54.840 -0.060 0.000 0.759 286 L CB -1.275 40.751 42.059 -0.056 0.000 0.903 286 L HN 0.466 nan 8.230 nan 0.000 0.435 287 Q N -0.584 119.197 119.800 -0.032 0.000 1.965 287 Q HA -0.181 4.159 4.340 0.000 0.000 0.200 287 Q C 2.007 177.994 176.000 -0.021 0.000 0.981 287 Q CA 1.022 56.811 55.803 -0.023 0.000 0.834 287 Q CB -0.105 28.623 28.738 -0.016 0.000 0.900 287 Q HN 0.353 nan 8.270 nan 0.000 0.426 288 E N 0.937 121.126 120.200 -0.017 0.000 2.147 288 E HA -0.208 4.142 4.350 0.000 0.000 0.199 288 E C 1.950 178.542 176.600 -0.013 0.000 1.005 288 E CA 1.070 57.464 56.400 -0.010 0.000 0.810 288 E CB -0.330 29.367 29.700 -0.005 0.000 0.736 288 E HN 0.442 nan 8.360 nan 0.000 0.460 289 I N 1.212 121.765 120.570 -0.030 0.000 2.423 289 I HA -0.233 3.937 4.170 0.000 0.000 0.254 289 I C 1.995 178.095 176.117 -0.028 0.000 1.151 289 I CA 1.009 62.286 61.300 -0.038 0.000 1.421 289 I CB -0.171 37.782 38.000 -0.077 0.000 1.079 289 I HN 0.012 nan 8.210 nan 0.000 0.431 290 E N 0.911 121.096 120.200 -0.026 0.000 2.230 290 E HA -0.094 4.256 4.350 0.000 0.000 0.192 290 E C 1.965 178.558 176.600 -0.011 0.000 0.987 290 E CA 0.756 57.144 56.400 -0.021 0.000 0.841 290 E CB -0.054 29.632 29.700 -0.022 0.000 0.783 290 E HN 0.510 nan 8.360 nan 0.000 0.481 291 K N 0.814 121.210 120.400 -0.007 0.000 2.243 291 K HA 0.149 4.470 4.320 0.000 0.000 0.201 291 K C 1.034 177.637 176.600 0.005 0.000 1.051 291 K CA 0.372 56.658 56.287 -0.002 0.000 0.970 291 K CB 0.218 32.718 32.500 -0.001 0.000 0.755 291 K HN -0.049 nan 8.250 nan 0.000 0.465 292 A N 1.868 124.695 122.820 0.011 0.000 2.445 292 A HA -0.000 4.320 4.320 0.000 0.000 0.242 292 A C 0.311 177.912 177.584 0.028 0.000 1.075 292 A CA -0.205 51.847 52.037 0.025 0.000 0.777 292 A CB 0.280 19.302 19.000 0.036 0.000 1.013 292 A HN 0.101 nan 8.150 nan 0.000 0.493 293 D N 0.005 120.427 120.400 0.036 0.000 2.249 293 D HA 0.105 4.745 4.640 0.000 0.000 0.205 293 D C 0.248 176.580 176.300 0.054 0.000 0.962 293 D CA 1.275 55.293 54.000 0.030 0.000 0.860 293 D CB 0.271 41.080 40.800 0.014 0.000 0.955 293 D HN 0.520 nan 8.370 nan 0.000 0.505 294 I N 0.247 120.869 120.570 0.086 0.000 2.775 294 I HA 0.170 4.340 4.170 0.000 0.000 0.295 294 I C -1.775 174.408 176.117 0.111 0.000 1.287 294 I CA -0.715 60.649 61.300 0.107 0.000 1.029 294 I CB 2.496 40.592 38.000 0.159 0.000 1.282 294 I HN -0.421 nan 8.210 nan 0.000 0.426 295 V N 7.067 127.056 119.914 0.126 0.000 2.459 295 V HA 0.431 4.551 4.120 0.000 0.000 0.295 295 V C -0.596 175.596 176.094 0.164 0.000 1.029 295 V CA -0.626 61.751 62.300 0.129 0.000 0.874 295 V CB 1.563 33.455 31.823 0.115 0.000 0.985 295 V HN 0.490 nan 8.190 nan 0.000 0.438 296 L N 6.221 127.527 121.223 0.139 0.000 2.301 296 L HA 0.578 4.918 4.340 0.000 0.000 0.278 296 L C -1.110 175.896 176.870 0.228 0.000 1.022 296 L CA -0.123 54.801 54.840 0.140 0.000 0.854 296 L CB 0.794 42.888 42.059 0.058 0.000 1.226 296 L HN 0.538 nan 8.230 nan 0.000 0.429 297 F N 6.177 126.167 119.950 0.066 0.000 2.361 297 F HA 0.586 5.113 4.527 0.000 0.000 0.364 297 F C -0.842 174.983 175.800 0.041 0.000 1.117 297 F CA -1.063 56.967 58.000 0.050 0.000 1.071 297 F CB 1.217 40.252 39.000 0.058 0.000 1.188 297 F HN 0.134 nan 8.300 nan 0.000 0.464 298 V N 7.790 127.653 119.914 -0.084 0.000 2.370 298 V HA 0.435 4.555 4.120 0.000 0.000 0.283 298 V C -0.167 175.723 176.094 -0.338 0.000 1.023 298 V CA -0.692 61.490 62.300 -0.196 0.000 0.857 298 V CB 1.438 33.224 31.823 -0.062 0.000 0.985 298 V HN 0.587 nan 8.190 nan 0.000 0.443 299 L N 3.478 124.484 121.223 -0.362 0.000 2.346 299 L HA 0.556 4.896 4.340 0.000 0.000 0.276 299 L C -0.366 176.410 176.870 -0.157 0.000 1.006 299 L CA -0.643 54.016 54.840 -0.302 0.000 0.817 299 L CB 2.127 43.960 42.059 -0.378 0.000 1.272 299 L HN 0.601 nan 8.230 nan 0.000 0.421 300 D N 1.639 121.975 120.400 -0.106 0.000 2.312 300 D HA 0.285 4.925 4.640 0.000 0.000 0.252 300 D C 0.785 177.050 176.300 -0.058 0.000 1.150 300 D CA -0.055 53.905 54.000 -0.067 0.000 0.870 300 D CB 2.018 42.791 40.800 -0.044 0.000 1.153 300 D HN 0.582 nan 8.370 nan 0.000 0.457 301 A N 2.857 125.648 122.820 -0.049 0.000 2.121 301 A HA -0.081 4.239 4.320 0.000 0.000 0.218 301 A C 1.972 179.538 177.584 -0.029 0.000 1.154 301 A CA 0.913 52.926 52.037 -0.039 0.000 0.679 301 A CB -0.177 18.803 19.000 -0.034 0.000 0.795 301 A HN 0.519 nan 8.150 nan 0.000 0.458 302 S N -0.070 115.614 115.700 -0.026 0.000 2.603 302 S HA 0.142 4.612 4.470 0.000 0.000 0.220 302 S C 0.411 175.002 174.600 -0.016 0.000 0.967 302 S CA 0.197 58.385 58.200 -0.019 0.000 0.920 302 S CB -0.026 63.164 63.200 -0.017 0.000 0.773 302 S HN 0.464 nan 8.310 nan 0.000 0.529 303 S N 2.548 118.236 115.700 -0.020 0.000 2.513 303 S HA 0.500 4.970 4.470 0.000 0.000 0.299 303 S C -2.727 171.865 174.600 -0.014 0.000 1.087 303 S CA -1.250 56.941 58.200 -0.014 0.000 1.012 303 S CB 1.964 65.156 63.200 -0.013 0.000 1.044 303 S HN 0.122 nan 8.310 nan 0.000 0.485 304 P HA 0.219 nan 4.420 nan 0.000 0.274 304 P C -0.703 176.598 177.300 0.003 0.000 1.231 304 P CA -0.648 62.450 63.100 -0.003 0.000 0.790 304 P CB 0.523 32.224 31.700 0.001 0.000 0.951 305 L N 3.162 124.389 121.223 0.007 0.000 2.455 305 L HA 0.130 4.470 4.340 0.000 0.000 0.272 305 L C 0.551 177.437 176.870 0.026 0.000 1.174 305 L CA 0.904 55.756 54.840 0.021 0.000 0.869 305 L CB -0.538 41.536 42.059 0.025 0.000 1.130 305 L HN 0.476 nan 8.230 nan 0.000 0.474 306 D N 1.898 122.320 120.400 0.038 0.000 2.627 306 D HA 0.181 4.821 4.640 0.000 0.000 0.259 306 D C 0.620 176.941 176.300 0.035 0.000 1.164 306 D CA -0.395 53.624 54.000 0.032 0.000 1.087 306 D CB 0.220 41.038 40.800 0.029 0.000 1.217 306 D HN 0.435 nan 8.370 nan 0.000 0.630 307 E N -0.109 120.106 120.200 0.025 0.000 2.017 307 E HA -0.249 4.101 4.350 0.000 0.000 0.193 307 E C 1.612 178.224 176.600 0.019 0.000 0.997 307 E CA 1.250 57.661 56.400 0.018 0.000 0.804 307 E CB -0.179 29.528 29.700 0.011 0.000 0.757 307 E HN 0.670 nan 8.360 nan 0.000 0.448 308 E N 0.087 120.301 120.200 0.023 0.000 2.097 308 E HA -0.207 4.143 4.350 0.000 0.000 0.196 308 E C 1.677 178.297 176.600 0.032 0.000 1.000 308 E CA 1.616 58.027 56.400 0.018 0.000 0.804 308 E CB 0.060 29.775 29.700 0.026 0.000 0.740 308 E HN 0.239 nan 8.360 nan 0.000 0.454 309 D N -0.103 120.351 120.400 0.089 0.000 2.144 309 D HA -0.153 4.487 4.640 0.000 0.000 0.199 309 D C 1.998 178.370 176.300 0.120 0.000 0.984 309 D CA 0.893 55.006 54.000 0.188 0.000 0.834 309 D CB -0.206 40.727 40.800 0.222 0.000 0.955 309 D HN 0.235 nan 8.370 nan 0.000 0.465 310 R N 0.748 121.285 120.500 0.063 0.000 2.092 310 R HA -0.044 4.296 4.340 0.000 0.000 0.231 310 R C 2.267 178.560 176.300 -0.011 0.000 1.119 310 R CA 0.684 56.804 56.100 0.033 0.000 0.970 310 R CB -0.095 30.218 30.300 0.022 0.000 0.864 310 R HN 0.141 nan 8.270 nan 0.000 0.440 311 K N 1.337 121.720 120.400 -0.028 0.000 2.026 311 K HA -0.106 4.214 4.320 0.000 0.000 0.208 311 K C 2.042 178.575 176.600 -0.112 0.000 1.048 311 K CA 1.226 57.478 56.287 -0.058 0.000 0.929 311 K CB -0.027 32.443 32.500 -0.051 0.000 0.713 311 K HN 0.077 nan 8.250 nan 0.000 0.439 312 I N 1.272 121.741 120.570 -0.168 0.000 2.226 312 I HA -0.314 3.856 4.170 0.000 0.000 0.245 312 I C 2.210 178.131 176.117 -0.327 0.000 1.100 312 I CA 1.128 62.225 61.300 -0.339 0.000 1.374 312 I CB -0.262 37.337 38.000 -0.668 0.000 1.057 312 I HN 0.204 nan 8.210 nan 0.000 0.413 313 L N 0.119 121.230 121.223 -0.186 0.000 2.079 313 L HA -0.210 4.130 4.340 0.000 0.000 0.210 313 L C 2.656 179.439 176.870 -0.145 0.000 1.081 313 L CA 1.228 56.002 54.840 -0.110 0.000 0.752 313 L CB -0.586 41.491 42.059 0.031 0.000 0.896 313 L HN 0.274 nan 8.230 nan 0.000 0.433 314 E N -0.009 120.126 120.200 -0.109 0.000 2.107 314 E HA -0.199 4.151 4.350 0.000 0.000 0.191 314 E C 2.250 178.780 176.600 -0.116 0.000 0.982 314 E CA 0.831 57.176 56.400 -0.092 0.000 0.809 314 E CB 0.038 29.701 29.700 -0.061 0.000 0.756 314 E HN 0.190 nan 8.360 nan 0.000 0.459 315 R N 1.132 121.548 120.500 -0.140 0.000 2.148 315 R HA -0.009 4.331 4.340 0.000 0.000 0.223 315 R C 2.216 178.419 176.300 -0.160 0.000 1.088 315 R CA 0.752 56.771 56.100 -0.135 0.000 0.985 315 R CB -0.303 29.915 30.300 -0.135 0.000 0.880 315 R HN 0.316 nan 8.270 nan 0.000 0.451 316 I N -2.642 117.784 120.570 -0.240 0.000 3.956 316 I HA 0.185 4.355 4.170 0.000 0.000 0.333 316 I C 1.597 177.465 176.117 -0.414 0.000 1.302 316 I CA -0.010 61.114 61.300 -0.295 0.000 1.122 316 I CB -0.015 37.763 38.000 -0.370 0.000 1.013 316 I HN -0.026 nan 8.210 nan 0.000 0.405 317 K N 2.267 122.479 120.400 -0.314 0.000 2.071 317 K HA -0.229 4.091 4.320 0.000 0.000 0.217 317 K C 1.211 177.765 176.600 -0.076 0.000 1.054 317 K CA 2.450 58.597 56.287 -0.234 0.000 0.937 317 K CB -0.088 32.350 32.500 -0.103 0.000 0.719 317 K HN 0.474 nan 8.250 nan 0.000 0.454 318 N N 0.427 119.111 118.700 -0.027 0.000 2.230 318 N HA 0.038 4.778 4.740 0.000 0.000 0.202 318 N C -0.385 175.164 175.510 0.064 0.000 1.119 318 N CA 0.186 53.266 53.050 0.049 0.000 0.851 318 N CB 0.706 39.208 38.487 0.026 0.000 0.990 318 N HN 0.237 nan 8.380 nan 0.000 0.497 319 K N 0.641 121.078 120.400 0.062 0.000 2.399 319 K HA 0.291 4.611 4.320 0.000 0.000 0.247 319 K C 0.444 177.144 176.600 0.167 0.000 1.036 319 K CA -0.625 55.709 56.287 0.078 0.000 0.977 319 K CB 1.353 33.875 32.500 0.037 0.000 1.272 319 K HN -0.137 nan 8.250 nan 0.000 0.501 320 R N 1.367 121.923 120.500 0.093 0.000 2.216 320 R HA 0.135 4.475 4.340 0.000 0.000 0.332 320 R C -1.349 175.018 176.300 0.112 0.000 1.056 320 R CA -0.048 56.064 56.100 0.019 0.000 0.901 320 R CB 0.082 30.376 30.300 -0.009 0.000 1.039 320 R HN 0.586 nan 8.270 nan 0.000 0.456 321 Y N 2.040 122.271 120.300 -0.115 0.000 2.705 321 Y HA 0.598 5.148 4.550 0.000 0.000 0.332 321 Y C -2.097 173.798 175.900 -0.007 0.000 1.221 321 Y CA -1.505 56.576 58.100 -0.033 0.000 1.059 321 Y CB 1.375 39.835 38.460 0.002 0.000 1.298 321 Y HN 0.296 nan 8.280 nan 0.000 0.459 322 L N 2.720 123.994 121.223 0.084 0.000 2.516 322 L HA 0.612 4.952 4.340 0.000 0.000 0.267 322 L C -1.947 175.062 176.870 0.233 0.000 0.957 322 L CA -0.712 54.148 54.840 0.033 0.000 0.860 322 L CB 1.886 43.945 42.059 -0.001 0.000 1.265 322 L HN 0.731 nan 8.230 nan 0.000 0.403 323 V N 5.367 125.437 119.914 0.260 0.000 2.370 323 V HA 0.427 4.547 4.120 0.000 0.000 0.279 323 V C -0.077 176.055 176.094 0.063 0.000 1.029 323 V CA -0.475 61.958 62.300 0.222 0.000 0.870 323 V CB 2.032 34.026 31.823 0.286 0.000 0.984 323 V HN 0.533 nan 8.190 nan 0.000 0.451 324 V N 7.416 127.318 119.914 -0.019 0.000 2.495 324 V HA 0.617 4.737 4.120 0.000 0.000 0.298 324 V C -0.457 175.580 176.094 -0.096 0.000 1.031 324 V CA -0.472 61.801 62.300 -0.044 0.000 0.871 324 V CB 1.772 33.575 31.823 -0.034 0.000 0.988 324 V HN 0.739 nan 8.190 nan 0.000 0.432 325 I N 6.793 127.320 120.570 -0.071 0.000 2.307 325 I HA 0.374 4.544 4.170 0.000 0.000 0.289 325 I C 0.360 176.440 176.117 -0.061 0.000 1.021 325 I CA -0.058 61.194 61.300 -0.079 0.000 1.224 325 I CB 0.962 38.927 38.000 -0.058 0.000 1.376 325 I HN 0.699 nan 8.210 nan 0.000 0.470 326 N N 7.168 125.828 118.700 -0.066 0.000 2.419 326 N HA 0.191 4.931 4.740 0.000 0.000 0.264 326 N C -0.745 174.740 175.510 -0.042 0.000 1.031 326 N CA -0.473 52.548 53.050 -0.049 0.000 0.951 326 N CB 0.909 39.366 38.487 -0.050 0.000 1.101 326 N HN 0.517 nan 8.380 nan 0.000 0.488 327 K N 3.633 124.014 120.400 -0.033 0.000 2.450 327 K HA 0.237 4.557 4.320 0.000 0.000 0.257 327 K C 0.064 176.650 176.600 -0.023 0.000 0.953 327 K CA -0.568 55.703 56.287 -0.027 0.000 0.844 327 K CB 1.137 33.622 32.500 -0.025 0.000 1.103 327 K HN 0.425 nan 8.250 nan 0.000 0.429 328 V N -0.477 119.424 119.914 -0.021 0.000 3.330 328 V HA 0.366 4.486 4.120 0.000 0.000 0.309 328 V C -0.450 175.635 176.094 -0.015 0.000 1.481 328 V CA -0.318 61.972 62.300 -0.018 0.000 1.068 328 V CB 0.543 32.356 31.823 -0.017 0.000 0.935 328 V HN 0.679 nan 8.190 nan 0.000 0.453 329 D N -0.576 119.814 120.400 -0.015 0.000 2.819 329 D HA 0.339 4.979 4.640 0.000 0.000 0.232 329 D C 0.573 176.866 176.300 -0.013 0.000 1.160 329 D CA -0.127 53.865 54.000 -0.013 0.000 0.858 329 D CB 3.087 43.879 40.800 -0.013 0.000 1.610 329 D HN -0.139 nan 8.370 nan 0.000 0.481 330 V N 3.183 123.090 119.914 -0.011 0.000 2.759 330 V HA -0.005 4.115 4.120 0.000 0.000 0.256 330 V C 0.827 176.915 176.094 -0.010 0.000 1.080 330 V CA 1.111 63.405 62.300 -0.010 0.000 1.101 330 V CB 0.194 32.012 31.823 -0.009 0.000 0.698 330 V HN 0.398 nan 8.190 nan 0.000 0.477 331 V N 2.409 122.317 119.914 -0.010 0.000 2.353 331 V HA 0.324 4.444 4.120 0.000 0.000 0.264 331 V C 0.052 176.139 176.094 -0.011 0.000 1.049 331 V CA -0.424 61.870 62.300 -0.010 0.000 0.896 331 V CB 0.730 32.548 31.823 -0.008 0.000 1.025 331 V HN 0.586 nan 8.190 nan 0.000 0.475 332 E N 5.685 125.878 120.200 -0.012 0.000 2.167 332 E HA 0.309 4.659 4.350 0.000 0.000 0.284 332 E C -0.075 176.518 176.600 -0.012 0.000 1.016 332 E CA -0.341 56.051 56.400 -0.013 0.000 0.817 332 E CB 1.513 31.204 29.700 -0.014 0.000 1.080 332 E HN 0.636 nan 8.360 nan 0.000 0.397 333 K N 2.164 122.557 120.400 -0.013 0.000 2.358 333 K HA 0.253 4.573 4.320 0.000 0.000 0.200 333 K C 0.549 177.142 176.600 -0.011 0.000 1.030 333 K CA -0.152 56.129 56.287 -0.010 0.000 1.097 333 K CB 0.678 33.172 32.500 -0.009 0.000 0.862 333 K HN 0.482 nan 8.250 nan 0.000 0.534 334 I N 1.186 121.747 120.570 -0.015 0.000 2.612 334 I HA 0.043 4.213 4.170 0.000 0.000 0.295 334 I C -0.560 175.550 176.117 -0.011 0.000 1.011 334 I CA -0.447 60.843 61.300 -0.016 0.000 1.326 334 I CB 0.962 38.944 38.000 -0.029 0.000 1.427 334 I HN 0.063 nan 8.210 nan 0.000 0.537 335 N N 5.062 123.758 118.700 -0.007 0.000 2.546 335 N HA 0.147 4.887 4.740 0.000 0.000 0.238 335 N C 0.414 175.924 175.510 0.000 0.000 0.984 335 N CA -0.418 52.630 53.050 -0.002 0.000 0.935 335 N CB 0.778 39.267 38.487 0.002 0.000 1.122 335 N HN 0.629 nan 8.380 nan 0.000 0.510 336 E N 1.478 121.677 120.200 -0.002 0.000 2.077 336 E HA -0.246 4.104 4.350 0.000 0.000 0.193 336 E C 1.066 177.671 176.600 0.009 0.000 0.989 336 E CA 1.009 57.410 56.400 0.001 0.000 0.800 336 E CB 0.183 29.882 29.700 -0.003 0.000 0.746 336 E HN 0.633 nan 8.360 nan 0.000 0.452 337 E N 1.533 121.737 120.200 0.007 0.000 2.085 337 E HA -0.244 4.106 4.350 0.000 0.000 0.194 337 E C 1.830 178.439 176.600 0.014 0.000 0.994 337 E CA 1.606 58.011 56.400 0.009 0.000 0.801 337 E CB -0.071 29.632 29.700 0.006 0.000 0.743 337 E HN 0.313 nan 8.360 nan 0.000 0.453 338 E N 0.028 120.236 120.200 0.014 0.000 2.023 338 E HA -0.211 4.139 4.350 0.000 0.000 0.196 338 E C 2.211 178.828 176.600 0.027 0.000 1.003 338 E CA 1.741 58.152 56.400 0.018 0.000 0.809 338 E CB -0.342 29.368 29.700 0.017 0.000 0.755 338 E HN 0.391 nan 8.360 nan 0.000 0.449 339 I N 1.221 121.810 120.570 0.032 0.000 2.151 339 I HA -0.345 3.825 4.170 0.000 0.000 0.243 339 I C 2.823 178.974 176.117 0.057 0.000 1.080 339 I CA 1.736 63.066 61.300 0.050 0.000 1.339 339 I CB -0.429 37.600 38.000 0.049 0.000 1.039 339 I HN 0.211 nan 8.210 nan 0.000 0.409 340 K N 1.085 121.513 120.400 0.046 0.000 2.063 340 K HA -0.239 4.081 4.320 0.000 0.000 0.208 340 K C 1.742 178.368 176.600 0.043 0.000 1.048 340 K CA 2.196 58.511 56.287 0.047 0.000 0.928 340 K CB -0.085 32.432 32.500 0.028 0.000 0.713 340 K HN 0.285 nan 8.250 nan 0.000 0.442 341 N N 0.513 119.233 118.700 0.032 0.000 2.216 341 N HA -0.109 4.631 4.740 0.000 0.000 0.183 341 N C 1.449 176.976 175.510 0.028 0.000 1.017 341 N CA 0.951 54.017 53.050 0.027 0.000 0.861 341 N CB -0.040 38.458 38.487 0.019 0.000 0.986 341 N HN 0.088 nan 8.380 nan 0.000 0.428 342 K N 0.720 121.139 120.400 0.031 0.000 2.147 342 K HA 0.089 4.409 4.320 0.000 0.000 0.205 342 K C 1.213 177.827 176.600 0.022 0.000 1.049 342 K CA 0.992 57.293 56.287 0.024 0.000 0.936 342 K CB -0.064 32.453 32.500 0.028 0.000 0.722 342 K HN 0.187 nan 8.250 nan 0.000 0.446 343 L N -1.664 119.587 121.223 0.047 0.000 2.554 343 L HA 0.233 4.573 4.340 0.000 0.000 0.225 343 L C 1.196 178.118 176.870 0.087 0.000 1.104 343 L CA 0.372 55.252 54.840 0.068 0.000 0.866 343 L CB 0.041 42.189 42.059 0.147 0.000 1.047 343 L HN 0.459 nan 8.230 nan 0.000 0.468 344 G N 0.493 109.330 108.800 0.062 0.000 2.168 344 G HA2 -0.297 3.663 3.960 0.000 0.000 0.263 344 G HA3 -0.297 3.663 3.960 0.000 0.000 0.263 344 G C 0.327 175.261 174.900 0.056 0.000 0.977 344 G CA 0.595 45.727 45.100 0.053 0.000 0.659 344 G HN 0.392 nan 8.290 nan 0.000 0.533 345 T N -1.123 113.471 114.554 0.067 0.000 2.843 345 T HA 0.446 4.796 4.350 0.000 0.000 0.337 345 T C -0.657 174.064 174.700 0.034 0.000 1.754 345 T CA 0.687 62.808 62.100 0.034 0.000 1.052 345 T CB 0.989 69.867 68.868 0.016 0.000 1.588 345 T HN 0.407 nan 8.240 nan 0.000 0.493 346 D N 1.265 121.652 120.400 -0.021 0.000 2.469 346 D HA 0.164 4.804 4.640 0.000 0.000 0.215 346 D C 1.336 177.577 176.300 -0.098 0.000 1.154 346 D CA -0.342 53.646 54.000 -0.020 0.000 0.832 346 D CB 0.091 40.883 40.800 -0.013 0.000 1.008 346 D HN 0.473 nan 8.370 nan 0.000 0.506 347 R N 0.020 120.383 120.500 -0.228 0.000 2.152 347 R HA -0.055 4.285 4.340 0.000 0.000 0.232 347 R C 0.720 176.719 176.300 -0.502 0.000 1.117 347 R CA 0.993 56.846 56.100 -0.412 0.000 0.981 347 R CB -0.173 29.759 30.300 -0.614 0.000 0.870 347 R HN 0.368 nan 8.270 nan 0.000 0.451 348 H N -0.377 118.640 119.070 -0.088 0.000 2.528 348 H HA 0.206 4.762 4.556 0.000 0.000 0.282 348 H C 0.251 175.518 175.328 -0.101 0.000 1.097 348 H CA 0.001 55.918 56.048 -0.219 0.000 1.121 348 H CB 0.093 29.463 29.762 -0.652 0.000 1.590 348 H HN 0.190 nan 8.280 nan 0.000 0.553 349 M N -0.646 118.982 119.600 0.046 0.000 2.456 349 M HA 0.648 5.128 4.480 0.000 0.000 0.324 349 M C -1.075 175.235 176.300 0.017 0.000 1.124 349 M CA -1.084 54.257 55.300 0.068 0.000 0.959 349 M CB 3.290 35.944 32.600 0.090 0.000 1.692 349 M HN -0.151 nan 8.290 nan 0.000 0.444 350 V N 1.772 121.692 119.914 0.010 0.000 2.971 350 V HA 0.586 4.706 4.120 0.000 0.000 0.309 350 V C -1.493 174.592 176.094 -0.014 0.000 1.130 350 V CA -0.650 61.646 62.300 -0.006 0.000 0.964 350 V CB 2.688 34.505 31.823 -0.009 0.000 1.029 350 V HN 0.998 nan 8.190 nan 0.000 0.427 351 K N 5.543 125.933 120.400 -0.017 0.000 2.274 351 K HA 0.660 4.980 4.320 0.000 0.000 0.262 351 K C -1.346 175.241 176.600 -0.022 0.000 0.961 351 K CA -0.577 55.697 56.287 -0.022 0.000 0.833 351 K CB 1.308 33.796 32.500 -0.020 0.000 1.102 351 K HN 0.684 nan 8.250 nan 0.000 0.436 352 I N 2.940 123.494 120.570 -0.026 0.000 2.390 352 I HA 0.124 4.294 4.170 0.000 0.000 0.283 352 I C -0.458 175.645 176.117 -0.024 0.000 1.016 352 I CA -0.554 60.731 61.300 -0.025 0.000 1.151 352 I CB 1.853 39.836 38.000 -0.027 0.000 1.293 352 I HN 0.442 nan 8.210 nan 0.000 0.458 353 S N 4.186 119.874 115.700 -0.021 0.000 2.474 353 S HA 0.528 4.998 4.470 0.000 0.000 0.321 353 S C 1.042 175.632 174.600 -0.018 0.000 1.080 353 S CA -0.334 57.854 58.200 -0.020 0.000 1.106 353 S CB 1.529 64.719 63.200 -0.018 0.000 0.984 353 S HN 0.724 nan 8.310 nan 0.000 0.464 354 A N 5.025 127.834 122.820 -0.018 0.000 2.024 354 A HA -0.014 4.306 4.320 0.000 0.000 0.220 354 A C 1.719 179.295 177.584 -0.014 0.000 1.164 354 A CA 1.301 53.328 52.037 -0.016 0.000 0.643 354 A CB -0.556 18.435 19.000 -0.016 0.000 0.806 354 A HN 0.762 nan 8.150 nan 0.000 0.451 355 L N -0.609 120.605 121.223 -0.014 0.000 2.191 355 L HA -0.097 4.243 4.340 0.000 0.000 0.212 355 L C 1.993 178.855 176.870 -0.012 0.000 1.103 355 L CA 1.670 56.503 54.840 -0.012 0.000 0.769 355 L CB -0.245 41.807 42.059 -0.012 0.000 0.908 355 L HN 0.277 nan 8.230 nan 0.000 0.438 356 K N -0.636 119.756 120.400 -0.013 0.000 2.387 356 K HA 0.292 4.612 4.320 0.000 0.000 0.198 356 K C 0.975 177.567 176.600 -0.013 0.000 1.022 356 K CA 0.536 56.815 56.287 -0.012 0.000 1.128 356 K CB 0.214 32.706 32.500 -0.013 0.000 0.853 356 K HN 0.290 nan 8.250 nan 0.000 0.523 357 G N 2.204 110.996 108.800 -0.013 0.000 2.176 357 G HA2 -0.273 3.687 3.960 0.000 0.000 0.252 357 G HA3 -0.273 3.687 3.960 0.000 0.000 0.252 357 G C -0.533 174.358 174.900 -0.015 0.000 1.024 357 G CA 0.043 45.134 45.100 -0.014 0.000 0.755 357 G HN 0.401 nan 8.290 nan 0.000 0.507 358 E N -0.572 119.618 120.200 -0.016 0.000 2.204 358 E HA 0.653 5.003 4.350 0.000 0.000 0.276 358 E C 0.866 177.455 176.600 -0.019 0.000 0.974 358 E CA -0.078 56.312 56.400 -0.018 0.000 0.815 358 E CB 1.746 31.436 29.700 -0.018 0.000 1.119 358 E HN 0.467 nan 8.360 nan 0.000 0.393 359 G N 1.202 109.990 108.800 -0.021 0.000 3.319 359 G HA2 0.030 3.990 3.960 0.000 0.000 0.158 359 G HA3 0.030 3.990 3.960 0.000 0.000 0.158 359 G C 0.126 175.011 174.900 -0.025 0.000 1.205 359 G CA -0.451 44.635 45.100 -0.022 0.000 1.252 359 G HN 0.423 nan 8.290 nan 0.000 0.668 360 L N 1.032 122.240 121.223 -0.026 0.000 1.989 360 L HA 0.077 4.417 4.340 0.000 0.000 0.211 360 L C 2.551 179.402 176.870 -0.032 0.000 1.071 360 L CA 3.146 57.968 54.840 -0.030 0.000 0.749 360 L CB -0.620 41.422 42.059 -0.028 0.000 0.890 360 L HN 0.742 nan 8.230 nan 0.000 0.431 361 E N -0.597 119.586 120.200 -0.029 0.000 2.070 361 E HA -0.331 4.019 4.350 0.000 0.000 0.197 361 E C 2.299 178.883 176.600 -0.027 0.000 1.004 361 E CA 1.786 58.167 56.400 -0.031 0.000 0.805 361 E CB -0.166 29.517 29.700 -0.029 0.000 0.744 361 E HN 0.501 nan 8.360 nan 0.000 0.451 362 K N 0.123 120.509 120.400 -0.024 0.000 2.097 362 K HA -0.175 4.145 4.320 0.000 0.000 0.206 362 K C 2.275 178.863 176.600 -0.020 0.000 1.049 362 K CA 1.004 57.280 56.287 -0.019 0.000 0.933 362 K CB -0.136 32.353 32.500 -0.018 0.000 0.717 362 K HN 0.127 nan 8.250 nan 0.000 0.442 363 L N 1.934 123.140 121.223 -0.028 0.000 2.017 363 L HA -0.162 4.178 4.340 0.000 0.000 0.208 363 L C 1.688 178.534 176.870 -0.040 0.000 1.073 363 L CA 1.860 56.679 54.840 -0.035 0.000 0.745 363 L CB -0.403 41.630 42.059 -0.043 0.000 0.894 363 L HN 0.205 nan 8.230 nan 0.000 0.432 364 E N -0.773 119.403 120.200 -0.041 0.000 2.077 364 E HA -0.278 4.072 4.350 0.000 0.000 0.193 364 E C 2.048 178.652 176.600 0.007 0.000 0.989 364 E CA 1.237 57.613 56.400 -0.039 0.000 0.800 364 E CB -0.114 29.560 29.700 -0.044 0.000 0.746 364 E HN 0.478 nan 8.360 nan 0.000 0.452 365 E N 0.606 120.812 120.200 0.010 0.000 2.106 365 E HA -0.104 4.246 4.350 0.000 0.000 0.192 365 E C 1.901 178.545 176.600 0.074 0.000 0.984 365 E CA 1.172 57.603 56.400 0.051 0.000 0.806 365 E CB -0.023 29.689 29.700 0.020 0.000 0.750 365 E HN 0.010 nan 8.360 nan 0.000 0.458 366 S N -0.303 115.413 115.700 0.026 0.000 2.387 366 S HA -0.006 4.464 4.470 0.000 0.000 0.226 366 S C 1.939 176.542 174.600 0.006 0.000 1.026 366 S CA 0.859 59.066 58.200 0.011 0.000 0.972 366 S CB -0.168 63.027 63.200 -0.007 0.000 0.814 366 S HN 0.277 nan 8.310 nan 0.000 0.477 367 I N 0.154 120.722 120.570 -0.005 0.000 2.252 367 I HA -0.177 3.993 4.170 0.000 0.000 0.245 367 I C 2.261 178.415 176.117 0.060 0.000 1.102 367 I CA 1.267 62.547 61.300 -0.033 0.000 1.385 367 I CB -0.329 37.572 38.000 -0.165 0.000 1.064 367 I HN 0.279 nan 8.210 nan 0.000 0.414 368 Y N 1.734 122.028 120.300 -0.010 0.000 2.274 368 Y HA -0.229 4.321 4.550 0.000 0.000 0.290 368 Y C 2.643 178.553 175.900 0.016 0.000 1.145 368 Y CA 1.457 59.571 58.100 0.024 0.000 1.203 368 Y CB -0.355 38.087 38.460 -0.030 0.000 0.984 368 Y HN -0.020 nan 8.280 nan 0.000 0.533 369 R N 0.072 120.525 120.500 -0.078 0.000 2.075 369 R HA -0.123 4.217 4.340 0.000 0.000 0.232 369 R C 1.780 178.001 176.300 -0.132 0.000 1.126 369 R CA 1.545 57.565 56.100 -0.133 0.000 0.963 369 R CB -0.031 30.254 30.300 -0.025 0.000 0.858 369 R HN 0.257 nan 8.270 nan 0.000 0.435 370 E N -0.428 119.727 120.200 -0.075 0.000 2.418 370 E HA -0.076 4.274 4.350 0.000 0.000 0.197 370 E C 1.078 177.640 176.600 -0.064 0.000 1.026 370 E CA 1.307 57.665 56.400 -0.071 0.000 0.862 370 E CB 0.425 30.080 29.700 -0.075 0.000 0.799 370 E HN 0.481 nan 8.360 nan 0.000 0.518 371 T N -3.600 110.908 114.554 -0.077 0.000 3.231 371 T HA 0.164 4.514 4.350 0.000 0.000 0.292 371 T C 1.346 175.954 174.700 -0.154 0.000 1.001 371 T CA -0.353 61.725 62.100 -0.037 0.000 0.920 371 T CB 0.551 69.502 68.868 0.137 0.000 1.140 371 T HN -0.068 nan 8.240 nan 0.000 0.525 372 Q N 1.472 121.069 119.800 -0.337 0.000 2.119 372 Q HA -0.171 4.169 4.340 0.000 0.000 0.201 372 Q C 1.973 177.919 176.000 -0.090 0.000 0.972 372 Q CA 2.204 57.744 55.803 -0.438 0.000 0.847 372 Q CB 0.036 28.473 28.738 -0.502 0.000 0.903 372 Q HN 0.739 nan 8.270 nan 0.000 0.433 373 E N 0.550 120.715 120.200 -0.059 0.000 2.077 373 E HA -0.180 4.170 4.350 0.000 0.000 0.193 373 E C 1.759 178.367 176.600 0.012 0.000 0.989 373 E CA 1.376 57.772 56.400 -0.008 0.000 0.800 373 E CB -0.729 28.961 29.700 -0.018 0.000 0.746 373 E HN 0.448 nan 8.360 nan 0.000 0.452 374 I N 0.097 120.670 120.570 0.006 0.000 2.208 374 I HA -0.232 3.938 4.170 0.000 0.000 0.245 374 I C 2.237 178.365 176.117 0.019 0.000 1.097 374 I CA 1.442 62.742 61.300 -0.000 0.000 1.363 374 I CB -0.282 37.714 38.000 -0.008 0.000 1.051 374 I HN 0.062 nan 8.210 nan 0.000 0.413 375 F N 1.950 121.875 119.950 -0.043 0.000 2.146 375 F HA -0.194 4.333 4.527 0.000 0.000 0.298 375 F C 2.400 178.207 175.800 0.011 0.000 1.096 375 F CA 1.706 59.712 58.000 0.009 0.000 1.275 375 F CB -0.253 38.804 39.000 0.095 0.000 1.008 375 F HN 0.034 nan 8.300 nan 0.000 0.480 376 E N -0.246 120.074 120.200 0.200 0.000 2.152 376 E HA -0.184 4.166 4.350 0.000 0.000 0.192 376 E C 2.246 178.818 176.600 -0.047 0.000 0.983 376 E CA 0.871 57.333 56.400 0.104 0.000 0.818 376 E CB -0.197 29.600 29.700 0.162 0.000 0.758 376 E HN 0.403 nan 8.360 nan 0.000 0.467 377 R N 0.282 120.752 120.500 -0.050 0.000 2.100 377 R HA -0.017 4.323 4.340 0.000 0.000 0.220 377 R C 2.130 178.362 176.300 -0.113 0.000 1.091 377 R CA 1.152 57.212 56.100 -0.068 0.000 0.986 377 R CB -0.009 30.264 30.300 -0.045 0.000 0.888 377 R HN 0.153 nan 8.270 nan 0.000 0.444 378 G N -1.232 107.480 108.800 -0.148 0.000 2.939 378 G HA2 -0.045 3.915 3.960 0.000 0.000 0.210 378 G HA3 -0.045 3.915 3.960 0.000 0.000 0.210 378 G C 1.045 175.804 174.900 -0.234 0.000 1.160 378 G CA -0.065 44.934 45.100 -0.168 0.000 0.770 378 G HN 0.218 nan 8.290 nan 0.000 0.543 379 S N 1.326 116.810 115.700 -0.360 0.000 2.423 379 S HA -0.085 4.385 4.470 0.000 0.000 0.231 379 S C 1.625 176.084 174.600 -0.236 0.000 1.014 379 S CA 1.325 59.278 58.200 -0.412 0.000 0.965 379 S CB -0.039 62.759 63.200 -0.670 0.000 0.785 379 S HN 0.728 nan 8.310 nan 0.000 0.495 380 D N 0.321 120.610 120.400 -0.186 0.000 2.501 380 D HA 0.150 4.790 4.640 0.000 0.000 0.226 380 D C 0.031 176.251 176.300 -0.133 0.000 1.198 380 D CA -0.084 53.835 54.000 -0.135 0.000 0.830 380 D CB -0.058 40.676 40.800 -0.109 0.000 1.014 380 D HN 0.077 nan 8.370 nan 0.000 0.496 381 S N 0.355 115.972 115.700 -0.138 0.000 2.548 381 S HA 0.176 4.646 4.470 0.000 0.000 0.277 381 S C 0.868 175.393 174.600 -0.125 0.000 1.315 381 S CA -0.536 57.585 58.200 -0.133 0.000 1.050 381 S CB 0.710 63.839 63.200 -0.118 0.000 0.918 381 S HN 0.098 nan 8.310 nan 0.000 0.497 382 L N 4.867 126.002 121.223 -0.147 0.000 2.477 382 L HA 0.449 4.789 4.340 0.000 0.000 0.220 382 L C 0.302 177.124 176.870 -0.080 0.000 1.106 382 L CA 0.755 55.522 54.840 -0.122 0.000 0.851 382 L CB -0.277 41.669 42.059 -0.189 0.000 0.994 382 L HN 0.650 nan 8.230 nan 0.000 0.462 383 I N -0.387 120.132 120.570 -0.084 0.000 2.315 383 I HA 0.115 4.285 4.170 0.000 0.000 0.291 383 I C 1.096 177.179 176.117 -0.057 0.000 1.006 383 I CA 0.033 61.301 61.300 -0.053 0.000 1.265 383 I CB 1.288 39.260 38.000 -0.047 0.000 1.387 383 I HN 0.092 nan 8.210 nan 0.000 0.475 384 T N 0.868 115.393 114.554 -0.048 0.000 3.044 384 T HA 0.244 4.594 4.350 0.000 0.000 0.260 384 T C 0.146 174.816 174.700 -0.051 0.000 1.019 384 T CA -0.257 61.811 62.100 -0.054 0.000 0.921 384 T CB -0.228 68.607 68.868 -0.055 0.000 1.053 384 T HN 0.673 nan 8.240 nan 0.000 0.533 385 N N -0.701 117.973 118.700 -0.043 0.000 2.934 385 N HA 0.352 5.092 4.740 0.000 0.000 0.253 385 N C 0.311 175.803 175.510 -0.031 0.000 1.466 385 N CA -1.061 51.964 53.050 -0.041 0.000 0.858 385 N CB 0.486 38.946 38.487 -0.046 0.000 1.459 385 N HN -0.088 nan 8.380 nan 0.000 0.532 386 L N -0.299 120.907 121.223 -0.028 0.000 2.046 386 L HA -0.056 4.284 4.340 0.000 0.000 0.208 386 L C 2.557 179.420 176.870 -0.013 0.000 1.077 386 L CA 1.489 56.317 54.840 -0.020 0.000 0.747 386 L CB -0.239 41.809 42.059 -0.018 0.000 0.896 386 L HN 0.732 nan 8.230 nan 0.000 0.432 387 R N -0.191 120.299 120.500 -0.017 0.000 2.080 387 R HA -0.244 4.096 4.340 0.000 0.000 0.236 387 R C 2.239 178.539 176.300 -0.000 0.000 1.137 387 R CA 2.100 58.194 56.100 -0.010 0.000 0.943 387 R CB -0.179 30.106 30.300 -0.024 0.000 0.846 387 R HN 0.473 nan 8.270 nan 0.000 0.431 388 Q N 0.158 119.956 119.800 -0.004 0.000 2.050 388 Q HA -0.204 4.136 4.340 0.000 0.000 0.202 388 Q C 2.202 178.214 176.000 0.020 0.000 0.980 388 Q CA 1.879 57.689 55.803 0.011 0.000 0.840 388 Q CB -0.190 28.551 28.738 0.006 0.000 0.898 388 Q HN 0.283 nan 8.270 nan 0.000 0.424 389 K N 1.015 121.419 120.400 0.007 0.000 2.002 389 K HA -0.225 4.095 4.320 0.000 0.000 0.209 389 K C 2.036 178.645 176.600 0.015 0.000 1.048 389 K CA 1.605 57.897 56.287 0.008 0.000 0.930 389 K CB 0.004 32.500 32.500 -0.006 0.000 0.714 389 K HN 0.244 nan 8.250 nan 0.000 0.438 390 Q N 0.386 120.193 119.800 0.011 0.000 2.170 390 Q HA -0.108 4.232 4.340 0.000 0.000 0.203 390 Q C 2.266 178.282 176.000 0.027 0.000 0.976 390 Q CA 1.200 57.012 55.803 0.015 0.000 0.858 390 Q CB -0.003 28.741 28.738 0.010 0.000 0.907 390 Q HN 0.355 nan 8.270 nan 0.000 0.433 391 L N 0.039 121.282 121.223 0.033 0.000 2.056 391 L HA -0.173 4.167 4.340 0.000 0.000 0.207 391 L C 2.152 179.057 176.870 0.058 0.000 1.078 391 L CA 0.873 55.741 54.840 0.047 0.000 0.749 391 L CB -0.231 41.855 42.059 0.045 0.000 0.901 391 L HN 0.245 nan 8.230 nan 0.000 0.433 392 L N -0.733 120.524 121.223 0.058 0.000 2.201 392 L HA -0.158 4.182 4.340 0.000 0.000 0.212 392 L C 2.394 179.301 176.870 0.062 0.000 1.105 392 L CA 0.943 55.827 54.840 0.073 0.000 0.775 392 L CB -0.407 41.709 42.059 0.094 0.000 0.913 392 L HN 0.296 nan 8.230 nan 0.000 0.440 393 E N -0.186 120.039 120.200 0.042 0.000 2.107 393 E HA -0.183 4.167 4.350 0.000 0.000 0.191 393 E C 1.769 178.380 176.600 0.019 0.000 0.982 393 E CA 0.646 57.062 56.400 0.025 0.000 0.809 393 E CB -0.087 29.620 29.700 0.011 0.000 0.756 393 E HN 0.374 nan 8.360 nan 0.000 0.459 394 N N 0.960 119.680 118.700 0.033 0.000 2.188 394 N HA -0.120 4.620 4.740 0.000 0.000 0.184 394 N C 1.860 177.437 175.510 0.112 0.000 1.018 394 N CA 0.709 53.783 53.050 0.040 0.000 0.858 394 N CB 0.031 38.573 38.487 0.091 0.000 0.989 394 N HN -0.019 nan 8.380 nan 0.000 0.426 395 V N 1.443 121.431 119.914 0.122 0.000 2.295 395 V HA -0.196 3.924 4.120 0.000 0.000 0.246 395 V C 2.564 178.718 176.094 0.099 0.000 1.049 395 V CA 1.632 64.013 62.300 0.134 0.000 1.024 395 V CB -0.490 31.382 31.823 0.082 0.000 0.648 395 V HN 0.386 nan 8.190 nan 0.000 0.447 396 K N 0.085 120.521 120.400 0.059 0.000 2.057 396 K HA -0.164 4.156 4.320 0.000 0.000 0.207 396 K C 2.168 178.774 176.600 0.010 0.000 1.049 396 K CA 1.682 57.991 56.287 0.037 0.000 0.931 396 K CB -0.621 31.897 32.500 0.030 0.000 0.714 396 K HN 0.499 nan 8.250 nan 0.000 0.440 397 G N -0.024 108.754 108.800 -0.036 0.000 2.446 397 G HA2 -0.273 3.688 3.960 0.000 0.000 0.217 397 G HA3 -0.273 3.688 3.960 0.000 0.000 0.217 397 G C 1.027 175.846 174.900 -0.135 0.000 1.168 397 G CA 1.335 46.363 45.100 -0.119 0.000 0.771 397 G HN 0.465 nan 8.290 nan 0.000 0.551 398 H N -0.793 118.281 119.070 0.006 0.000 2.423 398 H HA 0.074 4.630 4.556 0.000 0.000 0.297 398 H C 2.398 177.727 175.328 0.003 0.000 1.075 398 H CA 0.564 56.614 56.048 0.004 0.000 1.342 398 H CB 0.043 29.807 29.762 0.002 0.000 1.395 398 H HN 0.224 nan 8.280 nan 0.000 0.530 399 L N 0.893 122.181 121.223 0.110 0.000 2.093 399 L HA -0.138 4.202 4.340 0.000 0.000 0.208 399 L C 1.936 178.829 176.870 0.039 0.000 1.085 399 L CA 1.658 56.535 54.840 0.063 0.000 0.755 399 L CB -0.365 41.722 42.059 0.046 0.000 0.904 399 L HN 0.326 nan 8.230 nan 0.000 0.435 400 E N -0.842 119.372 120.200 0.022 0.000 2.072 400 E HA -0.203 4.147 4.350 0.000 0.000 0.191 400 E C 1.694 178.300 176.600 0.010 0.000 0.985 400 E CA 1.180 57.585 56.400 0.009 0.000 0.801 400 E CB -0.115 29.581 29.700 -0.006 0.000 0.750 400 E HN 0.503 nan 8.360 nan 0.000 0.452 401 D N 0.964 121.371 120.400 0.012 0.000 2.097 401 D HA -0.155 4.485 4.640 0.000 0.000 0.195 401 D C 1.974 178.292 176.300 0.029 0.000 0.989 401 D CA 1.401 55.412 54.000 0.019 0.000 0.827 401 D CB -0.391 40.429 40.800 0.033 0.000 0.966 401 D HN 0.150 nan 8.370 nan 0.000 0.456 402 A N 0.929 123.774 122.820 0.043 0.000 1.908 402 A HA -0.174 4.146 4.320 0.000 0.000 0.218 402 A C 2.389 179.987 177.584 0.023 0.000 1.181 402 A CA 1.101 53.159 52.037 0.034 0.000 0.627 402 A CB -0.812 18.211 19.000 0.038 0.000 0.818 402 A HN 0.237 nan 8.150 nan 0.000 0.445 403 I N -1.069 119.513 120.570 0.020 0.000 2.493 403 I HA -0.202 3.968 4.170 0.000 0.000 0.254 403 I C 2.497 178.621 176.117 0.012 0.000 1.160 403 I CA 1.522 62.831 61.300 0.015 0.000 1.445 403 I CB -0.208 37.800 38.000 0.014 0.000 1.086 403 I HN 0.379 nan 8.210 nan 0.000 0.433 404 K N 0.700 121.107 120.400 0.012 0.000 2.031 404 K HA -0.101 4.219 4.320 0.000 0.000 0.205 404 K C 2.329 178.935 176.600 0.009 0.000 1.049 404 K CA 1.309 57.601 56.287 0.009 0.000 0.939 404 K CB 0.102 32.606 32.500 0.007 0.000 0.717 404 K HN 0.085 nan 8.250 nan 0.000 0.438 405 S N 1.455 117.162 115.700 0.012 0.000 2.348 405 S HA -0.118 4.352 4.470 0.000 0.000 0.221 405 S C 1.872 176.478 174.600 0.010 0.000 1.033 405 S CA 1.237 59.444 58.200 0.012 0.000 1.010 405 S CB -0.284 62.924 63.200 0.015 0.000 0.891 405 S HN 0.242 nan 8.310 nan 0.000 0.442 406 L N 1.067 122.297 121.223 0.011 0.000 2.042 406 L HA -0.177 4.163 4.340 0.000 0.000 0.210 406 L C 2.410 179.285 176.870 0.008 0.000 1.076 406 L CA 1.392 56.237 54.840 0.010 0.000 0.749 406 L CB -0.498 41.567 42.059 0.010 0.000 0.893 406 L HN 0.267 nan 8.230 nan 0.000 0.432 407 K N 0.046 120.450 120.400 0.008 0.000 2.211 407 K HA -0.126 4.194 4.320 0.000 0.000 0.203 407 K C 1.206 177.810 176.600 0.006 0.000 1.050 407 K CA 0.950 57.241 56.287 0.007 0.000 0.945 407 K CB 0.002 32.506 32.500 0.006 0.000 0.732 407 K HN 0.380 nan 8.250 nan 0.000 0.451 408 E N 0.108 120.312 120.200 0.006 0.000 2.335 408 E HA 0.055 4.405 4.350 0.000 0.000 0.191 408 E C 0.519 177.123 176.600 0.006 0.000 1.077 408 E CA -0.024 56.379 56.400 0.006 0.000 1.010 408 E CB 0.298 30.002 29.700 0.006 0.000 1.141 408 E HN 0.413 nan 8.360 nan 0.000 0.452 409 G N 1.665 110.468 108.800 0.006 0.000 2.225 409 G HA2 -0.334 3.626 3.960 0.000 0.000 0.272 409 G HA3 -0.334 3.626 3.960 0.000 0.000 0.272 409 G C 0.561 175.465 174.900 0.006 0.000 0.996 409 G CA 0.495 45.599 45.100 0.006 0.000 0.710 409 G HN 0.172 nan 8.290 nan 0.000 0.522 410 M N -0.023 119.581 119.600 0.007 0.000 2.184 410 M HA 0.221 4.701 4.480 0.000 0.000 0.296 410 M C -1.777 174.527 176.300 0.007 0.000 1.165 410 M CA -1.901 53.403 55.300 0.007 0.000 1.175 410 M CB -0.995 31.610 32.600 0.008 0.000 1.392 410 M HN -0.108 nan 8.290 nan 0.000 0.457 411 P HA 0.061 nan 4.420 nan 0.000 0.271 411 P C 0.967 178.271 177.300 0.008 0.000 1.220 411 P CA -0.246 62.858 63.100 0.007 0.000 0.768 411 P CB 0.249 31.952 31.700 0.005 0.000 0.848 412 V N 0.007 119.927 119.914 0.009 0.000 2.944 412 V HA -0.246 3.874 4.120 0.000 0.000 0.265 412 V C 1.555 177.653 176.094 0.007 0.000 1.125 412 V CA 1.923 64.228 62.300 0.009 0.000 1.145 412 V CB -1.005 30.825 31.823 0.011 0.000 0.725 412 V HN 0.438 nan 8.190 nan 0.000 0.510 413 D N 0.537 120.941 120.400 0.005 0.000 2.144 413 D HA -0.161 4.480 4.640 0.000 0.000 0.199 413 D C 2.028 178.330 176.300 0.003 0.000 0.984 413 D CA 2.074 56.075 54.000 0.002 0.000 0.834 413 D CB -0.020 40.780 40.800 0.000 0.000 0.955 413 D HN 0.542 nan 8.370 nan 0.000 0.465 414 M N 0.079 119.683 119.600 0.007 0.000 2.132 414 M HA -0.088 4.392 4.480 0.000 0.000 0.263 414 M C 2.413 178.722 176.300 0.015 0.000 1.065 414 M CA 1.369 56.676 55.300 0.011 0.000 1.122 414 M CB -0.144 32.464 32.600 0.013 0.000 1.365 414 M HN -0.031 nan 8.290 nan 0.000 0.411 415 A N -0.671 122.157 122.820 0.014 0.000 1.933 415 A HA -0.154 4.167 4.320 0.000 0.000 0.218 415 A C 2.274 179.865 177.584 0.011 0.000 1.175 415 A CA 2.098 54.145 52.037 0.017 0.000 0.628 415 A CB -0.831 18.177 19.000 0.014 0.000 0.814 415 A HN 0.441 nan 8.150 nan 0.000 0.444 416 S N -0.455 115.248 115.700 0.004 0.000 2.368 416 S HA -0.112 4.358 4.470 0.000 0.000 0.225 416 S C 1.892 176.485 174.600 -0.012 0.000 1.030 416 S CA 1.357 59.555 58.200 -0.003 0.000 0.999 416 S CB -0.402 62.796 63.200 -0.004 0.000 0.844 416 S HN 0.415 nan 8.310 nan 0.000 0.459 417 I N 2.112 122.676 120.570 -0.010 0.000 2.286 417 I HA -0.127 4.043 4.170 0.000 0.000 0.248 417 I C 1.982 178.077 176.117 -0.037 0.000 1.115 417 I CA 1.343 62.630 61.300 -0.022 0.000 1.392 417 I CB -1.349 36.645 38.000 -0.010 0.000 1.065 417 I HN 0.335 nan 8.210 nan 0.000 0.418 418 D N 0.763 121.160 120.400 -0.005 0.000 2.117 418 D HA -0.095 4.545 4.640 0.000 0.000 0.198 418 D C 2.424 178.705 176.300 -0.032 0.000 0.982 418 D CA 0.937 54.945 54.000 0.013 0.000 0.828 418 D CB -0.004 40.852 40.800 0.093 0.000 0.967 418 D HN 0.306 nan 8.370 nan 0.000 0.464 419 L N 0.791 122.004 121.223 -0.016 0.000 2.201 419 L HA -0.101 4.239 4.340 0.000 0.000 0.212 419 L C 2.210 179.050 176.870 -0.051 0.000 1.105 419 L CA 0.864 55.692 54.840 -0.020 0.000 0.775 419 L CB -0.230 41.824 42.059 -0.009 0.000 0.913 419 L HN -0.018 nan 8.230 nan 0.000 0.440 420 E N -0.066 120.094 120.200 -0.065 0.000 2.107 420 E HA -0.147 4.203 4.350 0.000 0.000 0.191 420 E C 2.311 178.841 176.600 -0.117 0.000 0.982 420 E CA 0.633 56.990 56.400 -0.073 0.000 0.809 420 E CB 0.090 29.753 29.700 -0.061 0.000 0.756 420 E HN 0.379 nan 8.360 nan 0.000 0.459 421 R N 0.532 120.913 120.500 -0.199 0.000 2.075 421 R HA -0.070 4.270 4.340 0.000 0.000 0.232 421 R C 2.363 178.480 176.300 -0.306 0.000 1.126 421 R CA 1.116 57.011 56.100 -0.342 0.000 0.963 421 R CB -0.254 29.635 30.300 -0.685 0.000 0.858 421 R HN 0.092 nan 8.270 nan 0.000 0.435 422 A N 1.156 123.841 122.820 -0.225 0.000 1.902 422 A HA -0.154 4.166 4.320 0.000 0.000 0.217 422 A C 2.142 179.701 177.584 -0.042 0.000 1.181 422 A CA 1.098 53.099 52.037 -0.060 0.000 0.623 422 A CB -0.575 18.433 19.000 0.013 0.000 0.818 422 A HN 0.244 nan 8.150 nan 0.000 0.443 423 L N -0.460 120.732 121.223 -0.053 0.000 2.046 423 L HA -0.243 4.097 4.340 0.000 0.000 0.208 423 L C 2.338 179.189 176.870 -0.031 0.000 1.077 423 L CA 1.814 56.632 54.840 -0.037 0.000 0.747 423 L CB -0.525 41.512 42.059 -0.038 0.000 0.896 423 L HN 0.555 nan 8.230 nan 0.000 0.432 424 N N -0.736 117.935 118.700 -0.048 0.000 2.120 424 N HA -0.211 4.529 4.740 0.000 0.000 0.188 424 N C 1.633 177.136 175.510 -0.013 0.000 1.024 424 N CA 0.712 53.740 53.050 -0.036 0.000 0.852 424 N CB 0.049 38.502 38.487 -0.056 0.000 1.003 424 N HN 0.122 nan 8.380 nan 0.000 0.424 425 L N 0.685 121.900 121.223 -0.013 0.000 2.056 425 L HA -0.070 4.270 4.340 0.000 0.000 0.207 425 L C 2.031 178.919 176.870 0.031 0.000 1.078 425 L CA 1.193 56.046 54.840 0.021 0.000 0.749 425 L CB -1.137 40.950 42.059 0.047 0.000 0.901 425 L HN 0.225 nan 8.230 nan 0.000 0.433 426 L N -0.162 121.073 121.223 0.019 0.000 2.012 426 L HA -0.223 4.117 4.340 0.000 0.000 0.210 426 L C 2.241 179.131 176.870 0.033 0.000 1.073 426 L CA 1.628 56.480 54.840 0.020 0.000 0.748 426 L CB -1.244 40.810 42.059 -0.007 0.000 0.891 426 L HN 0.290 nan 8.230 nan 0.000 0.431 427 D N -0.574 119.844 120.400 0.030 0.000 2.218 427 D HA -0.173 4.467 4.640 0.000 0.000 0.204 427 D C 2.066 178.417 176.300 0.085 0.000 0.976 427 D CA 0.820 54.851 54.000 0.051 0.000 0.853 427 D CB 0.068 40.889 40.800 0.035 0.000 0.939 427 D HN 0.488 nan 8.370 nan 0.000 0.481 428 E N 0.075 120.318 120.200 0.072 0.000 2.285 428 E HA -0.073 4.277 4.350 0.000 0.000 0.194 428 E C 2.244 178.894 176.600 0.084 0.000 0.997 428 E CA 0.206 56.660 56.400 0.091 0.000 0.845 428 E CB 0.306 30.047 29.700 0.068 0.000 0.782 428 E HN 0.210 nan 8.360 nan 0.000 0.491 429 V N 0.619 120.574 119.914 0.068 0.000 2.379 429 V HA -0.161 3.959 4.120 0.000 0.000 0.245 429 V C 2.269 178.400 176.094 0.060 0.000 1.044 429 V CA 2.236 64.569 62.300 0.055 0.000 1.036 429 V CB -0.622 31.236 31.823 0.059 0.000 0.664 429 V HN 0.305 nan 8.190 nan 0.000 0.453 430 T N -3.026 111.582 114.554 0.091 0.000 3.081 430 T HA 0.368 4.718 4.350 0.000 0.000 0.255 430 T C 1.748 176.578 174.700 0.217 0.000 1.113 430 T CA 0.957 63.131 62.100 0.123 0.000 1.082 430 T CB 0.187 69.129 68.868 0.122 0.000 0.939 430 T HN 1.702 nan 8.240 nan 0.000 0.506 431 G N 1.695 110.640 108.800 0.243 0.000 2.175 431 G HA2 -0.293 3.667 3.960 0.000 0.000 0.244 431 G HA3 -0.293 3.667 3.960 0.000 0.000 0.244 431 G C 0.979 176.182 174.900 0.505 0.000 0.982 431 G CA 0.235 45.620 45.100 0.475 0.000 0.641 431 G HN 0.510 nan 8.290 nan 0.000 0.527 432 R N 0.114 120.781 120.500 0.277 0.000 2.127 432 R HA 0.070 4.410 4.340 0.000 0.000 0.238 432 R C 0.681 177.077 176.300 0.161 0.000 1.134 432 R CA 1.488 57.692 56.100 0.174 0.000 0.975 432 R CB -0.104 30.253 30.300 0.094 0.000 0.865 432 R HN 0.372 nan 8.270 nan 0.000 0.447 433 S N -0.071 115.732 115.700 0.171 0.000 2.532 433 S HA 0.500 4.970 4.470 0.000 0.000 0.299 433 S C -0.952 173.771 174.600 0.204 0.000 1.105 433 S CA -0.843 57.400 58.200 0.072 0.000 1.018 433 S CB 1.440 64.648 63.200 0.014 0.000 1.021 433 S HN 0.221 nan 8.310 nan 0.000 0.483 434 F N 0.263 120.282 119.950 0.114 0.000 2.613 434 F HA 0.739 5.266 4.527 0.000 0.000 0.310 434 F C -0.780 175.071 175.800 0.084 0.000 1.085 434 F CA -1.382 56.694 58.000 0.126 0.000 0.945 434 F CB 1.161 40.306 39.000 0.242 0.000 1.298 434 F HN 0.295 nan 8.300 nan 0.000 0.455 435 R N 1.996 122.692 120.500 0.326 0.000 2.295 435 R HA 0.277 4.617 4.340 0.000 0.000 0.324 435 R C 0.482 176.967 176.300 0.310 0.000 0.968 435 R CA -0.613 55.609 56.100 0.203 0.000 0.837 435 R CB 1.764 32.132 30.300 0.113 0.000 1.133 435 R HN 0.880 nan 8.270 nan 0.000 0.450 436 E N 1.357 121.726 120.200 0.283 0.000 2.097 436 E HA -0.243 4.107 4.350 0.000 0.000 0.196 436 E C 0.603 177.297 176.600 0.157 0.000 1.000 436 E CA 1.541 58.098 56.400 0.262 0.000 0.804 436 E CB 0.164 29.978 29.700 0.190 0.000 0.740 436 E HN 0.529 nan 8.360 nan 0.000 0.454 437 D N -0.042 120.424 120.400 0.111 0.000 2.183 437 D HA -0.108 4.532 4.640 0.000 0.000 0.203 437 D C 1.750 178.091 176.300 0.069 0.000 0.969 437 D CA 0.431 54.476 54.000 0.076 0.000 0.842 437 D CB -0.052 40.781 40.800 0.055 0.000 0.957 437 D HN 0.070 nan 8.370 nan 0.000 0.484 438 L N 0.099 121.369 121.223 0.078 0.000 2.131 438 L HA 0.025 4.365 4.340 0.000 0.000 0.206 438 L C 1.898 178.789 176.870 0.035 0.000 1.087 438 L CA 1.081 55.950 54.840 0.049 0.000 0.767 438 L CB -0.576 41.514 42.059 0.051 0.000 0.917 438 L HN -0.044 nan 8.230 nan 0.000 0.441 439 L N -0.220 121.051 121.223 0.080 0.000 2.042 439 L HA -0.226 4.114 4.340 0.000 0.000 0.210 439 L C 2.071 179.023 176.870 0.137 0.000 1.076 439 L CA 1.800 56.691 54.840 0.086 0.000 0.749 439 L CB -0.796 41.322 42.059 0.098 0.000 0.893 439 L HN 0.306 nan 8.230 nan 0.000 0.432 440 D N -1.255 119.208 120.400 0.105 0.000 2.104 440 D HA -0.189 4.451 4.640 0.000 0.000 0.194 440 D C 2.238 178.580 176.300 0.070 0.000 0.994 440 D CA 2.011 56.066 54.000 0.092 0.000 0.830 440 D CB -0.473 40.366 40.800 0.065 0.000 0.959 440 D HN 0.501 nan 8.370 nan 0.000 0.452 441 T N -0.920 113.658 114.554 0.039 0.000 2.788 441 T HA -0.091 4.259 4.350 0.000 0.000 0.268 441 T C 2.293 176.991 174.700 -0.004 0.000 1.044 441 T CA 0.700 62.813 62.100 0.021 0.000 1.139 441 T CB -0.565 68.310 68.868 0.011 0.000 0.867 441 T HN 0.143 nan 8.240 nan 0.000 0.454 442 I N -0.060 120.466 120.570 -0.073 0.000 2.142 442 I HA -0.047 4.123 4.170 0.000 0.000 0.240 442 I C 2.047 178.025 176.117 -0.232 0.000 1.078 442 I CA 1.514 62.693 61.300 -0.202 0.000 1.343 442 I CB -0.387 37.359 38.000 -0.424 0.000 1.046 442 I HN 0.149 nan 8.210 nan 0.000 0.405 443 F N 0.777 120.658 119.950 -0.116 0.000 2.748 443 F HA -0.073 4.454 4.527 0.000 0.000 0.299 443 F C 2.691 178.469 175.800 -0.038 0.000 1.154 443 F CA 0.798 58.616 58.000 -0.303 0.000 1.446 443 F CB -0.586 38.146 39.000 -0.446 0.000 1.112 443 F HN 0.097 nan 8.300 nan 0.000 0.584 444 S N 0.268 116.062 115.700 0.157 0.000 2.481 444 S HA -0.149 4.321 4.470 0.000 0.000 0.231 444 S C 1.311 176.009 174.600 0.164 0.000 0.996 444 S CA 0.988 59.271 58.200 0.139 0.000 0.942 444 S CB -0.858 62.395 63.200 0.088 0.000 0.768 444 S HN 0.529 nan 8.310 nan 0.000 0.520 445 N N -0.211 118.615 118.700 0.211 0.000 2.235 445 N HA 0.272 5.012 4.740 0.000 0.000 0.209 445 N C -0.246 175.392 175.510 0.213 0.000 1.122 445 N CA -0.463 52.685 53.050 0.164 0.000 0.845 445 N CB -0.412 38.126 38.487 0.084 0.000 1.004 445 N HN 0.276 nan 8.380 nan 0.000 0.499 446 F N 0.551 120.532 119.950 0.052 0.000 2.284 446 F HA 0.378 4.905 4.527 0.000 0.000 0.297 446 F C 0.939 176.783 175.800 0.073 0.000 1.215 446 F CA -1.505 56.540 58.000 0.075 0.000 1.120 446 F CB 0.383 39.477 39.000 0.156 0.000 1.426 446 F HN -0.045 nan 8.300 nan 0.000 0.514 447 C N 1.304 120.774 119.300 0.283 0.000 2.388 447 C HA 0.397 4.857 4.460 0.000 0.000 0.362 447 C C 0.091 175.204 174.990 0.206 0.000 1.266 447 C CA -1.119 58.000 59.018 0.169 0.000 2.028 447 C CB 0.532 28.325 27.740 0.088 0.000 2.440 447 C HN 0.332 nan 8.230 nan 0.000 0.547 448 V N 4.211 124.216 119.914 0.152 0.000 2.266 448 V HA 0.431 4.551 4.120 0.000 0.000 0.240 448 V C 1.244 177.434 176.094 0.159 0.000 1.225 448 V CA 1.555 63.953 62.300 0.164 0.000 1.237 448 V CB -0.780 31.115 31.823 0.119 0.000 1.343 448 V HN 1.291 nan 8.190 nan 0.000 0.496 449 G N 3.640 112.564 108.800 0.207 0.000 3.942 449 G HA2 -0.029 3.931 3.960 0.000 0.000 0.219 449 G HA3 -0.029 3.931 3.960 0.000 0.000 0.219 449 G C 0.025 174.890 174.900 -0.059 0.000 0.869 449 G CA -0.386 44.733 45.100 0.032 0.000 0.851 449 G HN 0.523 nan 8.290 nan 0.000 0.560 450 K N 0.000 120.520 120.400 0.200 0.000 2.780 450 K HA 0.000 4.320 4.320 0.000 0.000 0.191 450 K CA 0.000 56.459 56.287 0.287 0.000 0.838 450 K CB 0.000 32.695 32.500 0.325 0.000 1.064 450 K HN 0.000 nan 8.250 nan 0.000 0.543