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 3dj4_1_A DATA FIRST_RESID 6 DATA SEQUENCE DTAVLVLAAG PGTRMRSDTP KVLHTLAGRS MLSHVLHAIA KLAPQRLIVV DATA SEQUENCE LGHDHQRIAP LVGELADTLG RTIDVALQDR PLGTGHAVLC GLSALPDDYA DATA SEQUENCE GNVVVTSGDT PLLDADTLAD LIATHRAVSA AVTVLTTTLD DPFGYGRILR DATA SEQUENCE TQDHEVMAIV EQTDATPSQR EIREVNAGVY AFDIAALRSA LSRLSSNNAQ DATA SEQUENCE QELYLTDVIA ILRSDGQTVH ASHVDDSALV AGVNNRVQLA ELASELNRRV DATA SEQUENCE VAAHQLAGVT VVDPATTWID VDVTIGRDTV IHPGTQLLGR TQIGGRCVVG DATA SEQUENCE PDTTLTDVAV GDGASVVRTH GSSSSIGDGA AVGPFTYLRP GTALGADGKL DATA SEQUENCE GAFVEVKNST IGTGTKVPHL TYVGDADIGE YSNIGASSVF VNXXXXXXXR DATA SEQUENCE TTVGSHVRTG SDTMFVAPVT IGDGAYTGAG TVVREDVPPG ALAVSAGPQR DATA SEQUENCE NIENWVQRKR PGSPAAQAS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 6 D HA 0.000 nan 4.640 nan 0.000 0.175 6 D C 0.000 176.357 176.300 0.094 0.000 2.045 6 D CA 0.000 54.028 54.000 0.046 0.000 0.868 6 D CB 0.000 40.797 40.800 -0.005 0.000 0.688 7 T N -0.238 114.393 114.554 0.129 0.000 2.907 7 T HA 0.916 5.265 4.350 -0.001 0.000 0.292 7 T C -0.541 174.268 174.700 0.181 0.000 1.043 7 T CA -0.808 61.389 62.100 0.162 0.000 1.003 7 T CB 2.002 70.933 68.868 0.106 0.000 1.084 7 T HN 0.369 nan 8.240 nan 0.000 0.483 8 A N 1.873 124.799 122.820 0.177 0.000 2.331 8 A HA 0.747 5.066 4.320 -0.001 0.000 0.320 8 A C -0.606 177.001 177.584 0.038 0.000 1.138 8 A CA -0.793 51.274 52.037 0.050 0.000 0.790 8 A CB 1.341 20.278 19.000 -0.104 0.000 1.206 8 A HN 0.898 nan 8.150 nan 0.000 0.470 9 V N 3.728 123.651 119.914 0.016 0.000 2.417 9 V HA 0.420 4.539 4.120 -0.001 0.000 0.291 9 V C -0.305 175.794 176.094 0.008 0.000 1.024 9 V CA -0.313 62.002 62.300 0.026 0.000 0.861 9 V CB 1.179 33.019 31.823 0.029 0.000 0.985 9 V HN 0.742 nan 8.190 nan 0.000 0.436 10 L N 5.205 126.442 121.223 0.023 0.000 2.307 10 L HA 0.686 5.025 4.340 -0.001 0.000 0.284 10 L C -0.656 176.233 176.870 0.031 0.000 1.023 10 L CA -0.849 53.997 54.840 0.011 0.000 0.810 10 L CB 1.870 43.927 42.059 -0.003 0.000 1.231 10 L HN 0.308 nan 8.230 nan 0.000 0.423 11 V N 4.592 124.518 119.914 0.019 0.000 2.384 11 V HA 0.367 4.487 4.120 -0.001 0.000 0.287 11 V C 0.151 176.257 176.094 0.020 0.000 1.020 11 V CA -0.434 61.883 62.300 0.028 0.000 0.850 11 V CB 1.926 33.763 31.823 0.023 0.000 0.987 11 V HN 0.521 nan 8.190 nan 0.000 0.436 12 L N 4.652 125.896 121.223 0.034 0.000 2.261 12 L HA 0.666 5.005 4.340 -0.001 0.000 0.289 12 L C 0.643 177.526 176.870 0.022 0.000 1.059 12 L CA -0.149 54.707 54.840 0.026 0.000 0.816 12 L CB 1.136 43.221 42.059 0.043 0.000 1.191 12 L HN 0.762 nan 8.230 nan 0.000 0.431 13 A N 2.533 125.356 122.820 0.004 0.000 2.585 13 A HA 0.604 4.923 4.320 -0.001 0.000 0.281 13 A C 0.907 178.473 177.584 -0.031 0.000 0.945 13 A CA 0.299 52.333 52.037 -0.005 0.000 1.031 13 A CB 0.478 19.472 19.000 -0.010 0.000 1.221 13 A HN 0.725 nan 8.150 nan 0.000 0.496 14 A N -0.543 122.268 122.820 -0.016 0.000 2.431 14 A HA 0.571 4.890 4.320 -0.001 0.000 0.239 14 A C 1.256 178.845 177.584 0.009 0.000 1.230 14 A CA 0.601 52.621 52.037 -0.028 0.000 0.928 14 A CB -0.206 18.790 19.000 -0.007 0.000 1.006 14 A HN 0.915 nan 8.150 nan 0.000 0.520 15 G N 0.596 109.413 108.800 0.028 0.000 2.636 15 G HA2 0.383 4.342 3.960 -0.001 0.000 0.246 15 G HA3 0.383 4.342 3.960 -0.001 0.000 0.246 15 G C -0.666 174.276 174.900 0.071 0.000 1.216 15 G CA -0.333 44.795 45.100 0.047 0.000 0.854 15 G HN 0.170 nan 8.290 nan 0.000 0.572 16 P HA 0.079 nan 4.420 nan 0.000 0.236 16 P C 1.151 178.493 177.300 0.069 0.000 1.177 16 P CA 0.875 64.027 63.100 0.086 0.000 0.773 16 P CB 0.282 32.020 31.700 0.062 0.000 0.878 17 G N 0.526 109.354 108.800 0.047 0.000 2.305 17 G HA2 -0.300 3.659 3.960 -0.001 0.000 0.287 17 G HA3 -0.300 3.659 3.960 -0.001 0.000 0.287 17 G C 0.886 175.791 174.900 0.007 0.000 1.036 17 G CA 0.730 45.843 45.100 0.023 0.000 0.887 17 G HN 0.287 nan 8.290 nan 0.000 0.505 18 T N -0.231 114.331 114.554 0.013 0.000 2.699 18 T HA -0.150 4.199 4.350 -0.001 0.000 0.268 18 T C 2.333 177.033 174.700 0.000 0.000 1.036 18 T CA 1.691 63.797 62.100 0.011 0.000 1.147 18 T CB -0.103 68.775 68.868 0.016 0.000 0.862 18 T HN 0.577 nan 8.240 nan 0.000 0.446 19 R N 0.111 120.606 120.500 -0.008 0.000 2.313 19 R HA 0.245 4.584 4.340 -0.001 0.000 0.199 19 R C 1.974 178.254 176.300 -0.033 0.000 0.958 19 R CA 0.182 56.275 56.100 -0.011 0.000 1.047 19 R CB -0.006 30.295 30.300 0.001 0.000 0.955 19 R HN 0.321 nan 8.270 nan 0.000 0.481 20 M N 0.387 119.951 119.600 -0.059 0.000 2.492 20 M HA 0.013 4.493 4.480 -0.001 0.000 0.262 20 M C 0.156 176.419 176.300 -0.061 0.000 1.090 20 M CA 0.730 55.962 55.300 -0.114 0.000 1.110 20 M CB -0.168 32.291 32.600 -0.235 0.000 1.407 20 M HN 0.036 nan 8.290 nan 0.000 0.470 21 R N 1.051 121.537 120.500 -0.023 0.000 3.158 21 R HA -0.123 4.216 4.340 -0.001 0.000 0.244 21 R C -0.182 176.130 176.300 0.020 0.000 0.900 21 R CA 0.401 56.502 56.100 0.001 0.000 0.618 21 R CB -2.439 27.862 30.300 0.002 0.000 1.061 21 R HN 0.281 nan 8.270 nan 0.000 0.471 22 S N -0.567 115.154 115.700 0.036 0.000 2.536 22 S HA 0.319 4.789 4.470 -0.001 0.000 0.287 22 S C 0.430 175.073 174.600 0.073 0.000 1.101 22 S CA -0.855 57.399 58.200 0.091 0.000 0.950 22 S CB 1.485 64.815 63.200 0.216 0.000 1.056 22 S HN 0.224 nan 8.310 nan 0.000 0.481 23 D N 1.966 122.399 120.400 0.056 0.000 2.349 23 D HA 0.091 4.730 4.640 -0.001 0.000 0.224 23 D C 0.041 176.355 176.300 0.024 0.000 1.029 23 D CA 0.629 54.642 54.000 0.021 0.000 0.879 23 D CB 0.188 40.988 40.800 0.001 0.000 0.906 23 D HN 0.384 nan 8.370 nan 0.000 0.528 24 T N 2.659 117.262 114.554 0.082 0.000 2.767 24 T HA 0.309 4.658 4.350 -0.001 0.000 0.288 24 T C -2.492 172.324 174.700 0.194 0.000 0.963 24 T CA -1.549 60.592 62.100 0.067 0.000 1.019 24 T CB 1.929 70.742 68.868 -0.092 0.000 0.923 24 T HN -0.148 nan 8.240 nan 0.000 0.468 25 P HA 0.062 nan 4.420 nan 0.000 0.262 25 P C 0.848 178.320 177.300 0.287 0.000 1.182 25 P CA -0.151 63.094 63.100 0.242 0.000 0.761 25 P CB 0.643 32.527 31.700 0.307 0.000 0.795 26 K N 3.087 123.624 120.400 0.228 0.000 2.059 26 K HA -0.186 4.133 4.320 -0.001 0.000 0.212 26 K C 1.296 178.022 176.600 0.211 0.000 1.050 26 K CA 1.842 58.227 56.287 0.164 0.000 0.927 26 K CB -0.567 31.955 32.500 0.035 0.000 0.714 26 K HN 0.150 nan 8.250 nan 0.000 0.447 27 V N 1.479 121.481 119.914 0.148 0.000 3.078 27 V HA -0.159 3.960 4.120 -0.001 0.000 0.265 27 V C 1.879 178.047 176.094 0.123 0.000 1.122 27 V CA 1.230 63.599 62.300 0.115 0.000 1.141 27 V CB -0.339 31.526 31.823 0.071 0.000 0.735 27 V HN 0.350 nan 8.190 nan 0.000 0.498 28 L N -1.590 119.716 121.223 0.139 0.000 2.567 28 L HA 0.133 4.472 4.340 -0.001 0.000 0.225 28 L C 0.970 177.858 176.870 0.029 0.000 1.119 28 L CA 0.040 54.920 54.840 0.067 0.000 0.871 28 L CB -0.402 41.671 42.059 0.024 0.000 1.036 28 L HN 0.404 nan 8.230 nan 0.000 0.459 29 H N 1.298 120.394 119.070 0.044 0.000 2.848 29 H HA 0.106 4.661 4.556 -0.001 0.000 0.341 29 H C 0.284 175.645 175.328 0.056 0.000 1.060 29 H CA 0.411 56.482 56.048 0.040 0.000 1.444 29 H CB 1.086 30.869 29.762 0.034 0.000 1.446 29 H HN 0.090 nan 8.280 nan 0.000 0.583 30 T N 1.226 115.849 114.554 0.115 0.000 2.945 30 T HA 0.619 4.968 4.350 -0.001 0.000 0.286 30 T C -0.132 174.644 174.700 0.126 0.000 1.025 30 T CA -1.070 61.094 62.100 0.106 0.000 1.039 30 T CB 1.360 70.254 68.868 0.044 0.000 1.068 30 T HN 0.508 nan 8.240 nan 0.000 0.497 31 L N -1.140 120.194 121.223 0.185 0.000 2.513 31 L HA 0.814 5.153 4.340 -0.001 0.000 0.261 31 L C 0.399 177.425 176.870 0.260 0.000 0.945 31 L CA -0.864 54.085 54.840 0.181 0.000 0.848 31 L CB 1.309 43.446 42.059 0.130 0.000 1.334 31 L HN 1.218 nan 8.230 nan 0.000 0.407 32 A N 1.742 124.688 122.820 0.212 0.000 2.799 32 A HA 0.189 4.508 4.320 -0.001 0.000 0.287 32 A C 1.619 179.294 177.584 0.152 0.000 1.484 32 A CA 1.531 53.696 52.037 0.215 0.000 0.813 32 A CB -2.200 16.940 19.000 0.233 0.000 1.009 32 A HN 2.903 nan 8.150 nan 0.000 0.545 33 G N -2.661 106.198 108.800 0.098 0.000 2.176 33 G HA2 -0.214 3.745 3.960 -0.001 0.000 0.253 33 G HA3 -0.214 3.745 3.960 -0.001 0.000 0.253 33 G C 0.060 174.940 174.900 -0.032 0.000 0.979 33 G CA 0.781 45.899 45.100 0.030 0.000 0.641 33 G HN 1.361 nan 8.290 nan 0.000 0.530 34 R N 0.420 120.887 120.500 -0.056 0.000 2.621 34 R HA 0.563 4.902 4.340 -0.001 0.000 0.284 34 R C 0.501 176.764 176.300 -0.062 0.000 0.998 34 R CA -0.047 55.927 56.100 -0.210 0.000 0.895 34 R CB 1.678 31.555 30.300 -0.707 0.000 1.195 34 R HN 0.481 nan 8.270 nan 0.000 0.450 35 S N 2.238 117.927 115.700 -0.017 0.000 2.559 35 S HA -0.043 4.426 4.470 -0.001 0.000 0.282 35 S C 1.513 176.209 174.600 0.159 0.000 1.336 35 S CA -0.196 58.046 58.200 0.070 0.000 1.037 35 S CB 0.554 63.780 63.200 0.043 0.000 0.853 35 S HN 0.640 nan 8.310 nan 0.000 0.523 36 M N 1.014 120.737 119.600 0.206 0.000 2.106 36 M HA -0.140 4.340 4.480 -0.001 0.000 0.259 36 M C 2.051 178.455 176.300 0.173 0.000 1.068 36 M CA 1.495 56.930 55.300 0.224 0.000 1.100 36 M CB -0.737 31.950 32.600 0.145 0.000 1.351 36 M HN 0.738 nan 8.290 nan 0.000 0.404 37 L N -0.109 121.183 121.223 0.115 0.000 2.046 37 L HA -0.167 4.172 4.340 -0.001 0.000 0.208 37 L C 2.676 179.598 176.870 0.087 0.000 1.077 37 L CA 2.046 56.936 54.840 0.083 0.000 0.747 37 L CB -0.773 41.317 42.059 0.052 0.000 0.896 37 L HN 0.261 nan 8.230 nan 0.000 0.432 38 S N -1.786 113.960 115.700 0.077 0.000 2.383 38 S HA -0.224 4.245 4.470 -0.001 0.000 0.227 38 S C 1.939 176.638 174.600 0.166 0.000 1.026 38 S CA 1.367 59.632 58.200 0.107 0.000 0.981 38 S CB -0.418 62.818 63.200 0.060 0.000 0.818 38 S HN 0.711 nan 8.310 nan 0.000 0.472 39 H N 0.328 119.470 119.070 0.121 0.000 2.267 39 H HA -0.061 4.495 4.556 -0.001 0.000 0.297 39 H C 2.242 177.633 175.328 0.106 0.000 1.080 39 H CA 2.067 58.168 56.048 0.089 0.000 1.278 39 H CB -0.487 29.304 29.762 0.048 0.000 1.365 39 H HN 0.228 nan 8.280 nan 0.000 0.489 40 V N 0.801 120.841 119.914 0.210 0.000 2.255 40 V HA -0.269 3.850 4.120 -0.001 0.000 0.247 40 V C 2.462 178.617 176.094 0.102 0.000 1.051 40 V CA 1.887 64.265 62.300 0.130 0.000 1.018 40 V CB -0.677 31.202 31.823 0.093 0.000 0.641 40 V HN 0.353 nan 8.190 nan 0.000 0.445 41 L N -0.967 120.306 121.223 0.084 0.000 2.131 41 L HA -0.199 4.140 4.340 -0.001 0.000 0.210 41 L C 2.511 179.379 176.870 -0.003 0.000 1.092 41 L CA 1.594 56.447 54.840 0.020 0.000 0.759 41 L CB -0.722 41.322 42.059 -0.025 0.000 0.903 41 L HN 0.422 nan 8.230 nan 0.000 0.435 42 H N -0.709 118.372 119.070 0.019 0.000 2.423 42 H HA -0.071 4.484 4.556 -0.002 0.000 0.297 42 H C 2.251 177.595 175.328 0.027 0.000 1.075 42 H CA 1.298 57.355 56.048 0.016 0.000 1.342 42 H CB 0.043 29.811 29.762 0.009 0.000 1.395 42 H HN 0.334 nan 8.280 nan 0.000 0.530 43 A N 0.290 123.199 122.820 0.149 0.000 1.930 43 A HA -0.077 4.243 4.320 -0.001 0.000 0.217 43 A C 2.242 179.862 177.584 0.059 0.000 1.175 43 A CA 1.253 53.348 52.037 0.096 0.000 0.627 43 A CB -0.445 18.606 19.000 0.084 0.000 0.815 43 A HN 0.339 nan 8.150 nan 0.000 0.443 44 I N -0.422 120.176 120.570 0.047 0.000 2.277 44 I HA -0.154 4.015 4.170 -0.001 0.000 0.243 44 I C 2.956 179.083 176.117 0.016 0.000 1.094 44 I CA 0.822 62.139 61.300 0.028 0.000 1.393 44 I CB -0.441 37.573 38.000 0.022 0.000 1.078 44 I HN 0.300 nan 8.210 nan 0.000 0.417 45 A N 1.135 123.955 122.820 -0.001 0.000 1.927 45 A HA -0.281 4.038 4.320 -0.001 0.000 0.220 45 A C 2.335 179.921 177.584 0.003 0.000 1.185 45 A CA 1.899 53.925 52.037 -0.017 0.000 0.639 45 A CB -0.577 18.385 19.000 -0.063 0.000 0.820 45 A HN 0.297 nan 8.150 nan 0.000 0.451 46 K N -1.095 119.318 120.400 0.022 0.000 2.063 46 K HA -0.145 4.175 4.320 -0.001 0.000 0.208 46 K C 1.920 178.533 176.600 0.022 0.000 1.048 46 K CA 1.492 57.795 56.287 0.028 0.000 0.928 46 K CB -0.506 32.018 32.500 0.041 0.000 0.713 46 K HN 0.486 nan 8.250 nan 0.000 0.442 47 L N 1.038 122.275 121.223 0.023 0.000 2.201 47 L HA -0.017 4.322 4.340 -0.001 0.000 0.212 47 L C 0.309 177.191 176.870 0.020 0.000 1.105 47 L CA 1.178 56.031 54.840 0.022 0.000 0.775 47 L CB -0.438 41.636 42.059 0.024 0.000 0.913 47 L HN 0.287 nan 8.230 nan 0.000 0.440 48 A N -0.270 122.560 122.820 0.017 0.000 2.203 48 A HA -0.159 4.160 4.320 -0.001 0.000 0.279 48 A C -1.823 175.774 177.584 0.022 0.000 1.396 48 A CA 0.456 52.501 52.037 0.015 0.000 0.747 48 A CB -2.287 16.720 19.000 0.012 0.000 1.151 48 A HN 0.482 nan 8.150 nan 0.000 0.345 49 P HA 0.311 nan 4.420 nan 0.000 0.277 49 P C 0.739 178.062 177.300 0.038 0.000 1.271 49 P CA -0.171 62.952 63.100 0.038 0.000 0.795 49 P CB 0.569 32.293 31.700 0.039 0.000 1.101 50 Q N -0.663 119.173 119.800 0.059 0.000 2.083 50 Q HA 0.026 4.365 4.340 -0.001 0.000 0.198 50 Q C 0.491 176.518 176.000 0.045 0.000 0.969 50 Q CA 1.655 57.496 55.803 0.064 0.000 0.838 50 Q CB -0.034 28.769 28.738 0.108 0.000 0.900 50 Q HN 0.298 nan 8.270 nan 0.000 0.436 51 R N 0.040 120.561 120.500 0.035 0.000 2.670 51 R HA 0.552 4.891 4.340 -0.001 0.000 0.289 51 R C -1.314 174.971 176.300 -0.025 0.000 0.965 51 R CA -0.945 55.143 56.100 -0.020 0.000 0.899 51 R CB 1.600 31.837 30.300 -0.104 0.000 1.173 51 R HN 0.075 nan 8.270 nan 0.000 0.456 52 L N 3.217 124.419 121.223 -0.035 0.000 2.470 52 L HA 0.610 4.950 4.340 -0.001 0.000 0.268 52 L C -1.538 175.309 176.870 -0.039 0.000 0.964 52 L CA -0.335 54.488 54.840 -0.029 0.000 0.839 52 L CB 1.606 43.654 42.059 -0.017 0.000 1.276 52 L HN 0.608 nan 8.230 nan 0.000 0.403 53 I N 5.348 125.895 120.570 -0.040 0.000 2.499 53 I HA 0.535 4.704 4.170 -0.001 0.000 0.288 53 I C -0.898 175.201 176.117 -0.031 0.000 1.048 53 I CA -0.811 60.461 61.300 -0.045 0.000 1.062 53 I CB 2.314 40.273 38.000 -0.068 0.000 1.238 53 I HN 0.274 nan 8.210 nan 0.000 0.426 54 V N 6.769 126.665 119.914 -0.030 0.000 2.398 54 V HA 0.348 4.468 4.120 -0.001 0.000 0.286 54 V C -0.054 176.022 176.094 -0.031 0.000 1.026 54 V CA -0.767 61.518 62.300 -0.024 0.000 0.868 54 V CB 1.830 33.640 31.823 -0.022 0.000 0.982 54 V HN 0.380 nan 8.190 nan 0.000 0.443 55 V N 7.195 127.091 119.914 -0.029 0.000 2.385 55 V HA 0.410 4.529 4.120 -0.001 0.000 0.269 55 V C 0.003 176.074 176.094 -0.039 0.000 1.043 55 V CA -0.155 62.125 62.300 -0.034 0.000 0.906 55 V CB 0.912 32.717 31.823 -0.030 0.000 0.995 55 V HN 0.597 nan 8.190 nan 0.000 0.467 56 L N 3.713 124.907 121.223 -0.048 0.000 2.342 56 L HA 0.728 5.067 4.340 -0.001 0.000 0.271 56 L C 1.100 177.922 176.870 -0.080 0.000 1.008 56 L CA -0.290 54.501 54.840 -0.083 0.000 0.818 56 L CB 2.075 44.083 42.059 -0.085 0.000 1.296 56 L HN 0.696 nan 8.230 nan 0.000 0.427 57 G N -0.437 108.278 108.800 -0.141 0.000 2.756 57 G HA2 0.024 3.983 3.960 -0.001 0.000 0.203 57 G HA3 0.024 3.983 3.960 -0.001 0.000 0.203 57 G C -0.093 174.759 174.900 -0.080 0.000 2.015 57 G CA -0.120 44.927 45.100 -0.088 0.000 0.835 57 G HN 0.795 nan 8.290 nan 0.000 0.648 58 H N 1.009 120.101 119.070 0.037 0.000 3.253 58 H HA 0.272 4.827 4.556 -0.002 0.000 0.250 58 H C 0.472 175.828 175.328 0.048 0.000 1.051 58 H CA 0.189 56.263 56.048 0.042 0.000 1.458 58 H CB 0.247 30.032 29.762 0.039 0.000 1.549 58 H HN 0.412 nan 8.280 nan 0.000 0.506 59 D N 2.138 122.593 120.400 0.092 0.000 2.327 59 D HA -0.147 4.492 4.640 -0.001 0.000 0.205 59 D C 1.317 177.668 176.300 0.085 0.000 0.989 59 D CA 0.424 54.441 54.000 0.027 0.000 0.873 59 D CB -0.250 40.577 40.800 0.044 0.000 0.955 59 D HN 0.707 nan 8.370 nan 0.000 0.515 60 H N 0.699 119.813 119.070 0.074 0.000 2.482 60 H HA 0.122 4.677 4.556 -0.002 0.000 0.286 60 H C 1.835 177.204 175.328 0.068 0.000 1.017 60 H CA 1.223 57.306 56.048 0.059 0.000 1.322 60 H CB 0.162 29.951 29.762 0.045 0.000 1.426 60 H HN 0.078 nan 8.280 nan 0.000 0.546 61 Q N -0.402 119.427 119.800 0.048 0.000 2.515 61 Q HA -0.004 4.335 4.340 -0.001 0.000 0.212 61 Q C 1.083 177.063 176.000 -0.034 0.000 0.970 61 Q CA 0.611 56.421 55.803 0.012 0.000 0.941 61 Q CB 0.298 29.108 28.738 0.119 0.000 0.998 61 Q HN 0.436 nan 8.270 nan 0.000 0.518 62 R N -1.310 119.146 120.500 -0.073 0.000 3.275 62 R HA 0.190 4.529 4.340 -0.001 0.000 0.154 62 R C 1.902 178.142 176.300 -0.099 0.000 0.843 62 R CA 0.166 56.226 56.100 -0.067 0.000 1.027 62 R CB -0.529 29.741 30.300 -0.050 0.000 1.423 62 R HN 0.121 nan 8.270 nan 0.000 0.530 63 I N 2.162 122.678 120.570 -0.089 0.000 2.210 63 I HA -0.424 3.745 4.170 -0.001 0.000 0.249 63 I C 2.267 178.336 176.117 -0.080 0.000 1.047 63 I CA 1.947 63.213 61.300 -0.057 0.000 1.323 63 I CB -0.122 37.884 38.000 0.011 0.000 1.017 63 I HN 0.365 nan 8.210 nan 0.000 0.427 64 A N 0.672 123.389 122.820 -0.172 0.000 1.869 64 A HA -0.211 4.108 4.320 -0.001 0.000 0.218 64 A C -0.037 177.501 177.584 -0.076 0.000 1.203 64 A CA 2.383 54.335 52.037 -0.143 0.000 0.638 64 A CB -2.113 16.747 19.000 -0.234 0.000 0.831 64 A HN 0.370 nan 8.150 nan 0.000 0.450 65 P HA 0.000 nan 4.420 nan 0.000 0.217 65 P C 0.131 177.410 177.300 -0.035 0.000 1.150 65 P CA 0.756 63.830 63.100 -0.043 0.000 0.832 65 P CB -0.148 31.530 31.700 -0.036 0.000 0.787 66 L N -1.150 120.051 121.223 -0.037 0.000 2.416 66 L HA 0.027 4.367 4.340 -0.001 0.000 0.272 66 L C 1.620 178.471 176.870 -0.032 0.000 1.161 66 L CA -0.015 54.805 54.840 -0.034 0.000 0.845 66 L CB 0.211 42.251 42.059 -0.031 0.000 1.119 66 L HN -0.156 nan 8.230 nan 0.000 0.464 67 V N 1.750 121.643 119.914 -0.035 0.000 0.481 67 V HA -0.383 3.736 4.120 -0.001 0.000 0.092 67 V C 1.852 177.931 176.094 -0.025 0.000 2.400 67 V CA 2.136 64.419 62.300 -0.030 0.000 3.646 67 V CB -1.841 29.970 31.823 -0.020 0.000 0.927 67 V HN 1.072 nan 8.190 nan 0.000 0.973 68 G N -1.585 107.202 108.800 -0.022 0.000 2.448 68 G HA2 -0.061 3.898 3.960 -0.001 0.000 0.218 68 G HA3 -0.061 3.898 3.960 -0.001 0.000 0.218 68 G C 1.095 175.985 174.900 -0.017 0.000 1.135 68 G CA 1.592 46.682 45.100 -0.017 0.000 0.784 68 G HN 0.656 nan 8.290 nan 0.000 0.543 69 E N -1.195 118.991 120.200 -0.022 0.000 2.414 69 E HA 0.312 4.661 4.350 -0.001 0.000 0.208 69 E C 2.276 178.859 176.600 -0.028 0.000 0.820 69 E CA -0.085 56.304 56.400 -0.018 0.000 1.143 69 E CB 0.233 29.925 29.700 -0.013 0.000 1.150 69 E HN 0.301 nan 8.360 nan 0.000 0.540 70 L N -0.106 121.091 121.223 -0.043 0.000 2.286 70 L HA 0.285 4.624 4.340 -0.001 0.000 0.203 70 L C 2.198 179.013 176.870 -0.091 0.000 1.068 70 L CA 0.849 55.641 54.840 -0.080 0.000 0.811 70 L CB -0.164 41.839 42.059 -0.093 0.000 0.989 70 L HN 0.099 nan 8.230 nan 0.000 0.467 71 A N 0.023 122.805 122.820 -0.064 0.000 1.972 71 A HA -0.208 4.112 4.320 -0.001 0.000 0.219 71 A C 1.811 179.369 177.584 -0.044 0.000 1.169 71 A CA 1.883 53.887 52.037 -0.055 0.000 0.635 71 A CB -0.430 18.547 19.000 -0.039 0.000 0.810 71 A HN 0.332 nan 8.150 nan 0.000 0.446 72 D N -0.575 119.804 120.400 -0.035 0.000 2.084 72 D HA -0.079 4.560 4.640 -0.001 0.000 0.196 72 D C 2.042 178.326 176.300 -0.028 0.000 0.985 72 D CA 1.877 55.862 54.000 -0.025 0.000 0.826 72 D CB -0.828 39.962 40.800 -0.017 0.000 0.978 72 D HN 0.346 nan 8.370 nan 0.000 0.456 73 T N 0.988 115.522 114.554 -0.033 0.000 2.720 73 T HA -0.090 4.259 4.350 -0.001 0.000 0.268 73 T C 1.996 176.669 174.700 -0.045 0.000 1.037 73 T CA 0.742 62.825 62.100 -0.029 0.000 1.144 73 T CB -0.211 68.645 68.868 -0.020 0.000 0.864 73 T HN 0.105 nan 8.240 nan 0.000 0.444 74 L N 0.202 121.374 121.223 -0.085 0.000 2.558 74 L HA 0.269 4.608 4.340 -0.001 0.000 0.225 74 L C 1.619 178.458 176.870 -0.052 0.000 1.128 74 L CA 0.069 54.852 54.840 -0.095 0.000 0.868 74 L CB -0.400 41.560 42.059 -0.165 0.000 1.006 74 L HN 0.429 nan 8.230 nan 0.000 0.454 75 G N 2.015 110.791 108.800 -0.039 0.000 2.338 75 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.296 75 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.296 75 G C 0.190 175.076 174.900 -0.023 0.000 1.040 75 G CA 0.788 45.873 45.100 -0.024 0.000 1.004 75 G HN 0.591 nan 8.290 nan 0.000 0.509 76 R N -2.095 118.388 120.500 -0.029 0.000 2.817 76 R HA 0.757 5.096 4.340 -0.001 0.000 0.268 76 R C -0.662 175.623 176.300 -0.024 0.000 1.027 76 R CA -0.777 55.309 56.100 -0.023 0.000 0.928 76 R CB 0.689 30.975 30.300 -0.023 0.000 1.228 76 R HN 0.024 nan 8.270 nan 0.000 0.469 77 T N 1.629 116.172 114.554 -0.018 0.000 2.856 77 T HA 0.453 4.803 4.350 -0.001 0.000 0.292 77 T C -0.197 174.489 174.700 -0.024 0.000 0.980 77 T CA -0.170 61.919 62.100 -0.019 0.000 1.091 77 T CB 0.271 69.131 68.868 -0.013 0.000 0.936 77 T HN 0.322 nan 8.240 nan 0.000 0.503 78 I N 3.463 124.017 120.570 -0.027 0.000 2.439 78 I HA 0.282 4.451 4.170 -0.001 0.000 0.285 78 I C -0.275 175.825 176.117 -0.028 0.000 1.021 78 I CA -0.872 60.410 61.300 -0.030 0.000 1.091 78 I CB 1.721 39.700 38.000 -0.034 0.000 1.242 78 I HN 0.470 nan 8.210 nan 0.000 0.439 79 D N 5.744 126.125 120.400 -0.032 0.000 2.304 79 D HA 0.316 4.955 4.640 -0.001 0.000 0.247 79 D C -0.306 175.974 176.300 -0.033 0.000 1.089 79 D CA -0.191 53.789 54.000 -0.033 0.000 0.910 79 D CB 2.648 43.423 40.800 -0.042 0.000 1.199 79 D HN 0.060 nan 8.370 nan 0.000 0.426 80 V N 1.190 121.088 119.914 -0.027 0.000 2.435 80 V HA 0.576 4.695 4.120 -0.001 0.000 0.290 80 V C 0.170 176.246 176.094 -0.029 0.000 1.030 80 V CA -0.581 61.703 62.300 -0.026 0.000 0.881 80 V CB 1.375 33.188 31.823 -0.017 0.000 0.983 80 V HN 0.697 nan 8.190 nan 0.000 0.445 81 A N 5.274 128.073 122.820 -0.035 0.000 2.350 81 A HA 0.889 5.208 4.320 -0.001 0.000 0.324 81 A C -1.251 176.314 177.584 -0.033 0.000 1.118 81 A CA -0.584 51.430 52.037 -0.038 0.000 0.783 81 A CB 1.252 20.220 19.000 -0.053 0.000 1.236 81 A HN 0.628 nan 8.150 nan 0.000 0.457 82 L N 1.316 122.524 121.223 -0.025 0.000 2.309 82 L HA 0.493 4.832 4.340 -0.001 0.000 0.282 82 L C 0.278 177.145 176.870 -0.006 0.000 1.036 82 L CA 0.326 55.159 54.840 -0.013 0.000 0.806 82 L CB 1.538 43.597 42.059 -0.000 0.000 1.220 82 L HN 0.800 nan 8.230 nan 0.000 0.429 83 Q N 2.040 121.846 119.800 0.011 0.000 2.394 83 Q HA 0.216 4.556 4.340 -0.001 0.000 0.261 83 Q C -0.506 175.535 176.000 0.068 0.000 1.023 83 Q CA -0.515 55.321 55.803 0.055 0.000 0.720 83 Q CB 1.312 30.088 28.738 0.063 0.000 1.241 83 Q HN 0.642 nan 8.270 nan 0.000 0.483 84 D N 2.444 122.889 120.400 0.075 0.000 2.117 84 D HA -0.054 4.585 4.640 -0.001 0.000 0.198 84 D C -0.180 176.149 176.300 0.049 0.000 0.982 84 D CA 1.357 55.389 54.000 0.054 0.000 0.828 84 D CB 0.412 41.239 40.800 0.044 0.000 0.967 84 D HN 0.391 nan 8.370 nan 0.000 0.464 85 R N -0.048 120.477 120.500 0.042 0.000 2.599 85 R HA 0.359 4.698 4.340 -0.001 0.000 0.295 85 R C -2.431 173.881 176.300 0.019 0.000 0.963 85 R CA -1.648 54.461 56.100 0.016 0.000 0.883 85 R CB 2.116 32.402 30.300 -0.022 0.000 1.171 85 R HN -0.114 nan 8.270 nan 0.000 0.450 86 P HA 0.052 nan 4.420 nan 0.000 0.237 86 P C -0.130 177.177 177.300 0.012 0.000 1.788 86 P CA -0.019 63.107 63.100 0.042 0.000 1.061 86 P CB 0.298 32.027 31.700 0.048 0.000 1.967 87 L N 0.894 122.097 121.223 -0.033 0.000 2.552 87 L HA 0.306 4.645 4.340 -0.001 0.000 0.227 87 L C 1.414 178.285 176.870 0.001 0.000 1.146 87 L CA 1.169 55.949 54.840 -0.101 0.000 0.858 87 L CB -0.741 41.093 42.059 -0.374 0.000 0.969 87 L HN 0.470 nan 8.230 nan 0.000 0.451 88 G N -2.339 106.510 108.800 0.083 0.000 2.326 88 G HA2 0.033 3.993 3.960 -0.001 0.000 0.413 88 G HA3 0.033 3.993 3.960 -0.001 0.000 0.413 88 G C 0.469 175.449 174.900 0.133 0.000 1.444 88 G CA -0.160 45.013 45.100 0.121 0.000 1.002 88 G HN -0.048 nan 8.290 nan 0.000 0.649 89 T N -1.903 112.729 114.554 0.130 0.000 2.867 89 T HA 0.112 4.461 4.350 -0.001 0.000 0.268 89 T C 2.499 177.230 174.700 0.051 0.000 1.057 89 T CA 2.194 64.348 62.100 0.090 0.000 1.136 89 T CB -0.329 68.597 68.868 0.097 0.000 0.874 89 T HN 1.673 nan 8.240 nan 0.000 0.466 90 G N 0.554 109.393 108.800 0.065 0.000 2.418 90 G HA2 -0.245 3.714 3.960 -0.001 0.000 0.217 90 G HA3 -0.245 3.714 3.960 -0.001 0.000 0.217 90 G C 1.401 176.307 174.900 0.009 0.000 1.158 90 G CA 0.930 46.037 45.100 0.011 0.000 0.771 90 G HN 0.681 nan 8.290 nan 0.000 0.545 91 H N 0.944 120.002 119.070 -0.020 0.000 2.389 91 H HA 0.176 4.731 4.556 -0.001 0.000 0.299 91 H C 2.674 177.986 175.328 -0.027 0.000 1.081 91 H CA 1.637 57.669 56.048 -0.027 0.000 1.345 91 H CB -0.154 29.597 29.762 -0.019 0.000 1.393 91 H HN 0.287 nan 8.280 nan 0.000 0.520 92 A N -0.053 122.769 122.820 0.003 0.000 1.883 92 A HA -0.169 4.150 4.320 -0.001 0.000 0.217 92 A C 2.660 180.177 177.584 -0.111 0.000 1.186 92 A CA 1.864 53.873 52.037 -0.046 0.000 0.624 92 A CB -1.065 17.942 19.000 0.012 0.000 0.822 92 A HN 0.331 nan 8.150 nan 0.000 0.444 93 V N -0.416 119.434 119.914 -0.106 0.000 2.287 93 V HA -0.268 3.851 4.120 -0.001 0.000 0.248 93 V C 2.468 178.461 176.094 -0.168 0.000 1.053 93 V CA 2.012 64.233 62.300 -0.133 0.000 1.027 93 V CB -0.873 30.846 31.823 -0.172 0.000 0.646 93 V HN 0.543 nan 8.190 nan 0.000 0.447 94 L N 0.030 121.131 121.223 -0.204 0.000 2.010 94 L HA -0.284 4.055 4.340 -0.001 0.000 0.219 94 L C 2.491 179.229 176.870 -0.220 0.000 1.077 94 L CA 2.600 57.307 54.840 -0.221 0.000 0.773 94 L CB -0.916 40.974 42.059 -0.283 0.000 0.892 94 L HN 0.448 nan 8.230 nan 0.000 0.436 95 C N -1.029 118.106 119.300 -0.275 0.000 2.425 95 C HA -0.053 4.407 4.460 -0.001 0.000 0.277 95 C C 2.762 177.677 174.990 -0.126 0.000 1.280 95 C CA 0.377 59.279 59.018 -0.194 0.000 1.744 95 C CB -2.025 25.605 27.740 -0.184 0.000 1.989 95 C HN 0.756 nan 8.230 nan 0.000 0.491 96 G N 0.745 109.474 108.800 -0.118 0.000 2.440 96 G HA2 -0.175 3.784 3.960 -0.001 0.000 0.218 96 G HA3 -0.175 3.784 3.960 -0.001 0.000 0.218 96 G C 1.539 176.374 174.900 -0.108 0.000 1.154 96 G CA 0.583 45.626 45.100 -0.096 0.000 0.767 96 G HN 0.551 nan 8.290 nan 0.000 0.552 97 L N 1.696 122.848 121.223 -0.118 0.000 2.191 97 L HA -0.087 4.252 4.340 -0.001 0.000 0.212 97 L C 3.144 179.955 176.870 -0.100 0.000 1.103 97 L CA 1.313 56.085 54.840 -0.114 0.000 0.769 97 L CB -0.417 41.578 42.059 -0.106 0.000 0.908 97 L HN 0.427 nan 8.230 nan 0.000 0.438 98 S N -0.104 115.541 115.700 -0.092 0.000 2.507 98 S HA -0.063 4.406 4.470 -0.001 0.000 0.235 98 S C 1.783 176.341 174.600 -0.069 0.000 0.988 98 S CA 0.692 58.849 58.200 -0.071 0.000 0.944 98 S CB -0.187 62.974 63.200 -0.064 0.000 0.762 98 S HN 0.351 nan 8.310 nan 0.000 0.526 99 A N 0.491 123.258 122.820 -0.087 0.000 2.275 99 A HA 0.543 4.863 4.320 -0.001 0.000 0.212 99 A C 0.626 178.140 177.584 -0.118 0.000 1.201 99 A CA -0.239 51.746 52.037 -0.087 0.000 0.843 99 A CB -0.154 18.797 19.000 -0.083 0.000 0.873 99 A HN 0.532 nan 8.150 nan 0.000 0.492 100 L N 1.136 122.272 121.223 -0.145 0.000 2.331 100 L HA 0.378 4.717 4.340 -0.001 0.000 0.275 100 L C -2.157 174.671 176.870 -0.069 0.000 1.022 100 L CA -2.447 52.272 54.840 -0.202 0.000 0.812 100 L CB 1.425 43.264 42.059 -0.368 0.000 1.257 100 L HN 0.035 nan 8.230 nan 0.000 0.435 101 P HA -0.024 nan 4.420 nan 0.000 0.265 101 P C -0.303 177.045 177.300 0.080 0.000 1.187 101 P CA -0.117 63.018 63.100 0.058 0.000 0.766 101 P CB 0.686 32.450 31.700 0.107 0.000 0.820 102 D N 1.292 121.720 120.400 0.048 0.000 2.190 102 D HA -0.175 4.465 4.640 -0.001 0.000 0.200 102 D C 1.088 177.425 176.300 0.062 0.000 0.992 102 D CA 1.514 55.539 54.000 0.042 0.000 0.854 102 D CB -0.270 40.544 40.800 0.022 0.000 0.936 102 D HN 0.592 nan 8.370 nan 0.000 0.462 103 D N -0.715 119.727 120.400 0.069 0.000 2.336 103 D HA -0.138 4.501 4.640 -0.001 0.000 0.228 103 D C 0.340 176.683 176.300 0.072 0.000 1.120 103 D CA -0.564 53.468 54.000 0.055 0.000 0.839 103 D CB -0.775 40.043 40.800 0.031 0.000 0.932 103 D HN 0.097 nan 8.370 nan 0.000 0.509 104 Y N 1.458 121.757 120.300 -0.001 0.000 2.811 104 Y HA 0.162 4.711 4.550 -0.002 0.000 0.334 104 Y C 1.134 177.039 175.900 0.008 0.000 1.247 104 Y CA 0.615 58.716 58.100 0.003 0.000 1.526 104 Y CB 1.060 39.520 38.460 -0.000 0.000 1.284 104 Y HN 0.097 nan 8.280 nan 0.000 0.586 105 A N 4.299 126.727 122.820 -0.653 0.000 2.390 105 A HA 0.358 4.677 4.320 -0.001 0.000 0.225 105 A C 1.186 178.529 177.584 -0.402 0.000 1.232 105 A CA 0.384 52.199 52.037 -0.370 0.000 0.964 105 A CB -0.623 18.247 19.000 -0.217 0.000 1.064 105 A HN 0.921 nan 8.150 nan 0.000 0.525 106 G N 0.433 108.753 108.800 -0.799 0.000 2.712 106 G HA2 0.291 4.250 3.960 -0.001 0.000 0.258 106 G HA3 0.291 4.250 3.960 -0.001 0.000 0.258 106 G C -0.175 174.755 174.900 0.050 0.000 1.241 106 G CA -0.399 44.528 45.100 -0.289 0.000 0.923 106 G HN 0.326 nan 8.290 nan 0.000 0.548 107 N N -1.668 117.115 118.700 0.139 0.000 2.424 107 N HA 0.320 5.059 4.740 -0.001 0.000 0.257 107 N C -0.471 175.176 175.510 0.228 0.000 1.250 107 N CA -0.205 52.962 53.050 0.195 0.000 0.946 107 N CB 1.641 40.238 38.487 0.183 0.000 1.175 107 N HN 0.124 nan 8.380 nan 0.000 0.477 108 V N 1.469 121.504 119.914 0.202 0.000 2.443 108 V HA 0.277 4.396 4.120 -0.001 0.000 0.293 108 V C -0.103 176.104 176.094 0.188 0.000 1.021 108 V CA -0.769 61.644 62.300 0.189 0.000 0.848 108 V CB 1.737 33.658 31.823 0.164 0.000 0.998 108 V HN 0.276 nan 8.190 nan 0.000 0.424 109 V N 5.761 125.752 119.914 0.128 0.000 2.472 109 V HA 0.564 4.683 4.120 -0.001 0.000 0.290 109 V C -0.170 176.016 176.094 0.153 0.000 1.037 109 V CA -0.482 61.884 62.300 0.110 0.000 0.908 109 V CB 2.026 33.883 31.823 0.056 0.000 0.985 109 V HN 0.592 nan 8.190 nan 0.000 0.454 110 V N 3.780 123.829 119.914 0.226 0.000 2.531 110 V HA 0.684 4.803 4.120 -0.001 0.000 0.301 110 V C -0.067 176.173 176.094 0.243 0.000 1.034 110 V CA -0.184 62.264 62.300 0.245 0.000 0.865 110 V CB 2.035 34.051 31.823 0.323 0.000 0.995 110 V HN 0.977 nan 8.190 nan 0.000 0.424 111 T N 2.657 117.304 114.554 0.155 0.000 2.841 111 T HA 0.568 4.917 4.350 -0.001 0.000 0.296 111 T C -0.539 174.219 174.700 0.097 0.000 1.166 111 T CA -0.259 61.911 62.100 0.116 0.000 1.007 111 T CB 2.049 70.957 68.868 0.067 0.000 1.253 111 T HN 0.607 nan 8.240 nan 0.000 0.511 112 S N 0.356 116.102 115.700 0.076 0.000 2.617 112 S HA 0.494 4.963 4.470 -0.001 0.000 0.283 112 S C 1.410 176.040 174.600 0.050 0.000 1.189 112 S CA -0.229 58.008 58.200 0.062 0.000 1.036 112 S CB 1.372 64.602 63.200 0.050 0.000 1.014 112 S HN 0.899 nan 8.310 nan 0.000 0.522 113 G N 0.779 109.606 108.800 0.044 0.000 2.679 113 G HA2 -0.080 3.879 3.960 -0.001 0.000 0.212 113 G HA3 -0.080 3.879 3.960 -0.001 0.000 0.212 113 G C 0.525 175.455 174.900 0.051 0.000 1.137 113 G CA 0.299 45.427 45.100 0.048 0.000 0.787 113 G HN 0.785 nan 8.290 nan 0.000 0.534 114 D N -0.667 119.756 120.400 0.039 0.000 2.463 114 D HA 0.078 4.717 4.640 -0.001 0.000 0.224 114 D C 0.263 176.577 176.300 0.023 0.000 1.174 114 D CA -0.223 53.794 54.000 0.029 0.000 0.829 114 D CB -0.214 40.592 40.800 0.009 0.000 0.993 114 D HN -0.079 nan 8.370 nan 0.000 0.497 115 T N 2.781 117.353 114.554 0.030 0.000 3.336 115 T HA 0.245 4.594 4.350 -0.001 0.000 0.384 115 T C -1.853 172.860 174.700 0.023 0.000 1.704 115 T CA -1.072 61.043 62.100 0.025 0.000 1.334 115 T CB 1.716 70.599 68.868 0.024 0.000 1.131 115 T HN 0.067 nan 8.240 nan 0.000 0.684 116 P HA 0.101 nan 4.420 nan 0.000 0.233 116 P C 0.920 178.176 177.300 -0.073 0.000 1.167 116 P CA 0.227 63.320 63.100 -0.011 0.000 0.770 116 P CB 0.317 31.974 31.700 -0.072 0.000 0.837 117 L N -1.075 120.110 121.223 -0.063 0.000 2.592 117 L HA 0.174 4.513 4.340 -0.001 0.000 0.227 117 L C 1.039 177.896 176.870 -0.021 0.000 1.127 117 L CA -0.211 54.591 54.840 -0.063 0.000 0.884 117 L CB -0.872 41.151 42.059 -0.060 0.000 1.065 117 L HN -0.046 nan 8.230 nan 0.000 0.457 118 L N 1.393 122.614 121.223 -0.002 0.000 2.499 118 L HA 0.177 4.516 4.340 -0.001 0.000 0.273 118 L C -0.003 176.879 176.870 0.020 0.000 1.195 118 L CA 0.236 55.079 54.840 0.005 0.000 0.882 118 L CB -0.002 42.063 42.059 0.010 0.000 1.133 118 L HN 0.254 nan 8.230 nan 0.000 0.483 119 D N 3.409 123.816 120.400 0.012 0.000 2.374 119 D HA 0.449 5.088 4.640 -0.001 0.000 0.239 119 D C 0.637 176.950 176.300 0.021 0.000 0.991 119 D CA -0.146 53.867 54.000 0.022 0.000 0.960 119 D CB 1.288 42.096 40.800 0.013 0.000 1.284 119 D HN 0.578 nan 8.370 nan 0.000 0.512 120 A N 1.090 123.927 122.820 0.028 0.000 1.884 120 A HA -0.280 4.039 4.320 -0.001 0.000 0.219 120 A C 1.553 179.146 177.584 0.015 0.000 1.197 120 A CA 2.214 54.265 52.037 0.024 0.000 0.637 120 A CB -0.881 18.135 19.000 0.027 0.000 0.827 120 A HN 0.657 nan 8.150 nan 0.000 0.450 121 D N -0.591 119.815 120.400 0.011 0.000 2.106 121 D HA -0.118 4.521 4.640 -0.001 0.000 0.191 121 D C 2.109 178.411 176.300 0.002 0.000 0.997 121 D CA 2.008 56.011 54.000 0.006 0.000 0.834 121 D CB -0.986 39.815 40.800 0.002 0.000 0.956 121 D HN 0.455 nan 8.370 nan 0.000 0.448 122 T N 1.225 115.777 114.554 -0.003 0.000 2.699 122 T HA -0.152 4.197 4.350 -0.001 0.000 0.268 122 T C 2.219 176.914 174.700 -0.007 0.000 1.036 122 T CA 0.790 62.884 62.100 -0.010 0.000 1.147 122 T CB -0.375 68.482 68.868 -0.019 0.000 0.862 122 T HN 0.143 nan 8.240 nan 0.000 0.446 123 L N 0.459 121.682 121.223 0.000 0.000 2.093 123 L HA -0.021 4.318 4.340 -0.001 0.000 0.208 123 L C 3.021 179.897 176.870 0.009 0.000 1.085 123 L CA 1.116 55.958 54.840 0.004 0.000 0.755 123 L CB -0.595 41.472 42.059 0.013 0.000 0.904 123 L HN 0.255 nan 8.230 nan 0.000 0.435 124 A N -0.344 122.483 122.820 0.012 0.000 1.969 124 A HA -0.183 4.136 4.320 -0.001 0.000 0.218 124 A C 1.831 179.424 177.584 0.015 0.000 1.169 124 A CA 1.664 53.711 52.037 0.015 0.000 0.635 124 A CB -0.360 18.648 19.000 0.014 0.000 0.810 124 A HN 0.335 nan 8.150 nan 0.000 0.445 125 D N -0.434 119.972 120.400 0.011 0.000 2.224 125 D HA -0.077 4.563 4.640 -0.001 0.000 0.205 125 D C 1.813 178.125 176.300 0.019 0.000 0.965 125 D CA 0.955 54.962 54.000 0.013 0.000 0.852 125 D CB -0.289 40.517 40.800 0.010 0.000 0.947 125 D HN 0.408 nan 8.370 nan 0.000 0.494 126 L N 0.734 121.966 121.223 0.014 0.000 1.994 126 L HA -0.084 4.255 4.340 -0.001 0.000 0.208 126 L C 2.061 178.955 176.870 0.040 0.000 1.071 126 L CA 1.450 56.300 54.840 0.016 0.000 0.745 126 L CB -0.522 41.529 42.059 -0.015 0.000 0.892 126 L HN -0.070 nan 8.230 nan 0.000 0.431 127 I N 0.020 120.612 120.570 0.036 0.000 2.208 127 I HA -0.322 3.847 4.170 -0.001 0.000 0.245 127 I C 2.620 178.788 176.117 0.086 0.000 1.097 127 I CA 1.284 62.624 61.300 0.067 0.000 1.363 127 I CB -0.722 37.307 38.000 0.050 0.000 1.051 127 I HN 0.438 nan 8.210 nan 0.000 0.413 128 A N 0.368 123.216 122.820 0.046 0.000 1.873 128 A HA -0.178 4.141 4.320 -0.001 0.000 0.215 128 A C 2.371 179.957 177.584 0.002 0.000 1.186 128 A CA 2.268 54.318 52.037 0.022 0.000 0.616 128 A CB -1.097 17.910 19.000 0.011 0.000 0.823 128 A HN 0.378 nan 8.150 nan 0.000 0.442 129 T N -1.163 113.393 114.554 0.003 0.000 2.803 129 T HA -0.186 4.163 4.350 -0.001 0.000 0.269 129 T C 1.828 176.484 174.700 -0.073 0.000 1.052 129 T CA 2.000 64.070 62.100 -0.050 0.000 1.136 129 T CB -0.382 68.478 68.868 -0.014 0.000 0.864 129 T HN 0.802 nan 8.240 nan 0.000 0.467 130 H N 0.955 119.977 119.070 -0.079 0.000 2.343 130 H HA 0.181 4.737 4.556 -0.001 0.000 0.303 130 H C 2.480 177.773 175.328 -0.057 0.000 1.068 130 H CA 1.216 57.225 56.048 -0.066 0.000 1.359 130 H CB -0.003 29.742 29.762 -0.028 0.000 1.402 130 H HN 0.127 nan 8.280 nan 0.000 0.515 131 R N 0.066 120.513 120.500 -0.088 0.000 2.083 131 R HA -0.131 4.208 4.340 -0.001 0.000 0.237 131 R C 2.568 178.797 176.300 -0.117 0.000 1.137 131 R CA 1.465 57.501 56.100 -0.107 0.000 0.951 131 R CB -0.510 29.776 30.300 -0.022 0.000 0.851 131 R HN 0.437 nan 8.270 nan 0.000 0.434 132 A N 0.433 123.194 122.820 -0.098 0.000 1.908 132 A HA -0.148 4.171 4.320 -0.001 0.000 0.218 132 A C 2.125 179.633 177.584 -0.127 0.000 1.181 132 A CA 1.963 53.942 52.037 -0.097 0.000 0.627 132 A CB -0.522 18.427 19.000 -0.085 0.000 0.818 132 A HN 0.305 nan 8.150 nan 0.000 0.445 133 V N -4.483 115.318 119.914 -0.188 0.000 3.647 133 V HA 0.310 4.429 4.120 -0.001 0.000 0.279 133 V C 0.755 176.755 176.094 -0.156 0.000 1.314 133 V CA 0.388 62.573 62.300 -0.193 0.000 1.125 133 V CB -1.016 30.602 31.823 -0.343 0.000 0.907 133 V HN 0.427 nan 8.190 nan 0.000 0.434 134 S N 1.223 116.815 115.700 -0.181 0.000 3.255 134 S HA -0.102 4.367 4.470 -0.001 0.000 0.358 134 S C 0.487 174.978 174.600 -0.182 0.000 0.915 134 S CA 0.578 58.662 58.200 -0.193 0.000 1.335 134 S CB -1.366 61.765 63.200 -0.115 0.000 0.938 134 S HN 1.669 nan 8.310 nan 0.000 0.550 135 A N 1.581 124.224 122.820 -0.295 0.000 2.294 135 A HA 0.882 5.201 4.320 -0.001 0.000 0.330 135 A C 1.106 178.672 177.584 -0.030 0.000 1.133 135 A CA -0.002 51.970 52.037 -0.109 0.000 0.836 135 A CB 0.883 19.890 19.000 0.012 0.000 1.190 135 A HN 1.124 nan 8.150 nan 0.000 0.492 136 A N 0.451 123.336 122.820 0.108 0.000 1.930 136 A HA 0.413 4.732 4.320 -0.001 0.000 0.215 136 A C 0.775 178.553 177.584 0.323 0.000 1.176 136 A CA 1.588 53.743 52.037 0.197 0.000 0.632 136 A CB -0.243 18.848 19.000 0.152 0.000 0.819 136 A HN 1.677 nan 8.150 nan 0.000 0.445 137 V N 0.013 120.068 119.914 0.236 0.000 2.777 137 V HA 0.542 4.661 4.120 -0.001 0.000 0.306 137 V C -1.396 174.753 176.094 0.092 0.000 1.112 137 V CA -0.347 61.977 62.300 0.040 0.000 0.917 137 V CB 2.218 34.048 31.823 0.011 0.000 1.018 137 V HN 0.242 nan 8.190 nan 0.000 0.426 138 T N 5.609 120.171 114.554 0.015 0.000 2.807 138 T HA 0.631 4.980 4.350 -0.001 0.000 0.279 138 T C -0.895 173.768 174.700 -0.062 0.000 0.993 138 T CA -0.386 61.761 62.100 0.078 0.000 0.970 138 T CB 1.602 70.566 68.868 0.160 0.000 0.950 138 T HN 0.790 nan 8.240 nan 0.000 0.441 139 V N 4.982 124.877 119.914 -0.032 0.000 2.604 139 V HA 0.567 4.686 4.120 -0.001 0.000 0.305 139 V C -0.869 175.141 176.094 -0.139 0.000 1.043 139 V CA -1.104 61.116 62.300 -0.133 0.000 0.888 139 V CB 1.331 33.111 31.823 -0.072 0.000 0.995 139 V HN 0.813 nan 8.190 nan 0.000 0.429 140 L N 6.468 127.562 121.223 -0.215 0.000 2.331 140 L HA 0.533 4.872 4.340 -0.001 0.000 0.278 140 L C 0.519 177.282 176.870 -0.178 0.000 1.106 140 L CA 0.101 54.843 54.840 -0.165 0.000 0.824 140 L CB 1.450 43.413 42.059 -0.160 0.000 1.142 140 L HN 0.890 nan 8.230 nan 0.000 0.443 141 T N -0.771 113.690 114.554 -0.155 0.000 2.916 141 T HA 0.631 4.981 4.350 -0.001 0.000 0.292 141 T C -0.396 174.109 174.700 -0.325 0.000 1.055 141 T CA -0.637 61.364 62.100 -0.165 0.000 1.009 141 T CB 2.486 71.321 68.868 -0.056 0.000 1.118 141 T HN 0.535 nan 8.240 nan 0.000 0.497 142 T N -0.215 114.131 114.554 -0.345 0.000 2.804 142 T HA 0.699 5.048 4.350 -0.001 0.000 0.290 142 T C -1.111 173.461 174.700 -0.213 0.000 1.099 142 T CA -0.466 61.322 62.100 -0.520 0.000 1.011 142 T CB 1.902 70.536 68.868 -0.390 0.000 1.291 142 T HN 1.006 nan 8.240 nan 0.000 0.523 143 T N 1.793 116.301 114.554 -0.076 0.000 2.841 143 T HA 0.766 5.115 4.350 -0.001 0.000 0.283 143 T C -1.418 173.251 174.700 -0.051 0.000 1.000 143 T CA -0.576 61.547 62.100 0.037 0.000 0.977 143 T CB 0.352 69.338 68.868 0.195 0.000 0.979 143 T HN 0.457 nan 8.240 nan 0.000 0.446 144 L N 3.780 124.962 121.223 -0.068 0.000 2.445 144 L HA 0.438 4.777 4.340 -0.001 0.000 0.262 144 L C 0.416 177.269 176.870 -0.029 0.000 0.974 144 L CA -0.989 53.804 54.840 -0.078 0.000 0.822 144 L CB 2.440 44.398 42.059 -0.168 0.000 1.339 144 L HN 0.648 nan 8.230 nan 0.000 0.409 145 D N 0.109 120.503 120.400 -0.009 0.000 2.097 145 D HA -0.105 4.534 4.640 -0.001 0.000 0.197 145 D C 0.266 176.582 176.300 0.027 0.000 0.984 145 D CA 1.513 55.518 54.000 0.009 0.000 0.826 145 D CB 0.325 41.132 40.800 0.011 0.000 0.973 145 D HN 0.414 nan 8.370 nan 0.000 0.460 146 D N 0.399 120.824 120.400 0.041 0.000 2.467 146 D HA 0.140 4.780 4.640 -0.001 0.000 0.220 146 D C -1.954 174.423 176.300 0.129 0.000 1.103 146 D CA -1.973 52.078 54.000 0.086 0.000 0.886 146 D CB 1.466 42.324 40.800 0.096 0.000 1.025 146 D HN -0.067 nan 8.370 nan 0.000 0.514 147 P HA 0.124 nan 4.420 nan 0.000 0.257 147 P C 0.156 177.623 177.300 0.279 0.000 1.281 147 P CA -0.448 62.737 63.100 0.141 0.000 0.826 147 P CB -0.397 31.340 31.700 0.062 0.000 1.237 148 F N 1.591 121.634 119.950 0.156 0.000 2.572 148 F HA 0.343 4.869 4.527 -0.002 0.000 0.370 148 F C 1.672 177.524 175.800 0.086 0.000 1.103 148 F CA 1.818 59.879 58.000 0.102 0.000 1.286 148 F CB 0.288 39.321 39.000 0.055 0.000 1.105 148 F HN 0.278 nan 8.300 nan 0.000 0.583 149 G N 3.401 111.740 108.800 -0.768 0.000 2.253 149 G HA2 -0.338 3.621 3.960 -0.001 0.000 0.251 149 G HA3 -0.338 3.621 3.960 -0.001 0.000 0.251 149 G C -0.126 174.549 174.900 -0.376 0.000 0.998 149 G CA 0.115 44.867 45.100 -0.580 0.000 0.621 149 G HN 0.676 nan 8.290 nan 0.000 0.524 150 Y N 1.205 121.391 120.300 -0.190 0.000 2.307 150 Y HA 0.511 5.060 4.550 -0.002 0.000 0.324 150 Y C 1.374 177.190 175.900 -0.140 0.000 1.238 150 Y CA 0.230 58.253 58.100 -0.128 0.000 1.280 150 Y CB 1.157 39.570 38.460 -0.078 0.000 1.248 150 Y HN 0.284 nan 8.280 nan 0.000 0.508 151 G N 2.932 111.762 108.800 0.049 0.000 2.390 151 G HA2 0.358 4.318 3.960 -0.001 0.000 0.270 151 G HA3 0.358 4.318 3.960 -0.001 0.000 0.270 151 G C -0.527 174.388 174.900 0.025 0.000 1.211 151 G CA -0.894 44.199 45.100 -0.013 0.000 0.842 151 G HN 0.383 nan 8.290 nan 0.000 0.519 152 R N 1.944 122.446 120.500 0.003 0.000 2.297 152 R HA 0.188 4.527 4.340 -0.001 0.000 0.308 152 R C 0.076 176.381 176.300 0.008 0.000 1.029 152 R CA -0.961 55.142 56.100 0.006 0.000 0.929 152 R CB 1.284 31.586 30.300 0.003 0.000 1.046 152 R HN 0.310 nan 8.270 nan 0.000 0.461 153 I N 5.174 125.747 120.570 0.006 0.000 2.505 153 I HA 0.058 4.228 4.170 -0.001 0.000 0.287 153 I C 0.647 176.769 176.117 0.009 0.000 1.104 153 I CA -0.047 61.260 61.300 0.011 0.000 1.387 153 I CB -0.562 37.444 38.000 0.009 0.000 1.404 153 I HN 0.295 nan 8.210 nan 0.000 0.528 154 L N 7.546 128.776 121.223 0.012 0.000 2.264 154 L HA 0.487 4.826 4.340 -0.001 0.000 0.289 154 L C 0.543 177.415 176.870 0.004 0.000 1.044 154 L CA -0.516 54.328 54.840 0.006 0.000 0.807 154 L CB 0.621 42.687 42.059 0.010 0.000 1.192 154 L HN 0.501 nan 8.230 nan 0.000 0.425 155 R N 1.158 121.652 120.500 -0.010 0.000 2.589 155 R HA 0.449 4.789 4.340 -0.001 0.000 0.293 155 R C 0.261 176.537 176.300 -0.041 0.000 0.963 155 R CA -0.626 55.463 56.100 -0.018 0.000 0.905 155 R CB 2.277 32.565 30.300 -0.021 0.000 1.144 155 R HN 0.750 nan 8.270 nan 0.000 0.459 156 T N -1.002 113.532 114.554 -0.033 0.000 2.652 156 T HA -0.068 4.281 4.350 -0.001 0.000 0.345 156 T C 1.238 175.882 174.700 -0.094 0.000 1.051 156 T CA -0.019 62.056 62.100 -0.043 0.000 1.021 156 T CB 0.401 69.256 68.868 -0.021 0.000 1.141 156 T HN 0.550 nan 8.240 nan 0.000 0.518 157 Q N -0.346 119.406 119.800 -0.080 0.000 2.364 157 Q HA -0.053 4.286 4.340 -0.001 0.000 0.207 157 Q C 0.948 176.855 176.000 -0.154 0.000 0.970 157 Q CA 1.278 57.014 55.803 -0.112 0.000 0.888 157 Q CB -0.131 28.569 28.738 -0.062 0.000 0.951 157 Q HN 0.692 nan 8.270 nan 0.000 0.469 158 D N -1.299 119.046 120.400 -0.091 0.000 2.424 158 D HA 0.049 4.688 4.640 -0.001 0.000 0.220 158 D C -0.889 175.477 176.300 0.110 0.000 1.150 158 D CA -0.120 53.885 54.000 0.008 0.000 0.831 158 D CB 0.166 40.987 40.800 0.034 0.000 0.981 158 D HN 0.187 nan 8.370 nan 0.000 0.500 159 H N -0.837 118.222 119.070 -0.017 0.000 2.820 159 H HA -0.167 4.388 4.556 -0.001 0.000 0.295 159 H C -0.529 174.782 175.328 -0.029 0.000 1.187 159 H CA 0.865 56.897 56.048 -0.027 0.000 1.144 159 H CB -2.095 27.645 29.762 -0.037 0.000 1.354 159 H HN 0.365 nan 8.280 nan 0.000 0.395 160 E N 0.450 120.680 120.200 0.050 0.000 2.249 160 E HA 0.373 4.722 4.350 -0.001 0.000 0.280 160 E C 0.085 176.696 176.600 0.019 0.000 1.016 160 E CA -0.841 55.579 56.400 0.033 0.000 0.830 160 E CB 1.915 31.632 29.700 0.028 0.000 1.081 160 E HN 0.068 nan 8.360 nan 0.000 0.395 161 V N 5.022 124.945 119.914 0.014 0.000 2.485 161 V HA -0.078 4.041 4.120 -0.001 0.000 0.287 161 V C 1.051 177.161 176.094 0.027 0.000 1.022 161 V CA 0.745 63.055 62.300 0.017 0.000 1.067 161 V CB 0.253 32.084 31.823 0.014 0.000 0.967 161 V HN 0.822 nan 8.190 nan 0.000 0.479 162 M N 3.367 122.981 119.600 0.024 0.000 2.398 162 M HA 0.348 4.827 4.480 -0.001 0.000 0.261 162 M C 0.728 177.053 176.300 0.042 0.000 1.125 162 M CA 1.380 56.697 55.300 0.029 0.000 1.183 162 M CB 0.267 32.879 32.600 0.020 0.000 1.322 162 M HN 0.764 nan 8.290 nan 0.000 0.467 163 A N 0.065 122.910 122.820 0.043 0.000 2.610 163 A HA 0.718 5.037 4.320 -0.001 0.000 0.291 163 A C -1.503 176.113 177.584 0.052 0.000 1.086 163 A CA -0.744 51.325 52.037 0.054 0.000 0.677 163 A CB 1.171 20.199 19.000 0.048 0.000 1.278 163 A HN 0.222 nan 8.150 nan 0.000 0.414 164 I N 0.810 121.418 120.570 0.065 0.000 2.377 164 I HA 0.524 4.693 4.170 -0.001 0.000 0.293 164 I C -0.569 175.565 176.117 0.029 0.000 0.987 164 I CA -0.971 60.358 61.300 0.049 0.000 1.185 164 I CB 1.817 39.860 38.000 0.072 0.000 1.341 164 I HN 0.372 nan 8.210 nan 0.000 0.455 165 V N 6.543 126.460 119.914 0.006 0.000 2.384 165 V HA 0.347 4.466 4.120 -0.001 0.000 0.287 165 V C 0.002 176.059 176.094 -0.061 0.000 1.020 165 V CA -0.491 61.803 62.300 -0.010 0.000 0.850 165 V CB 1.550 33.379 31.823 0.009 0.000 0.987 165 V HN 0.601 nan 8.190 nan 0.000 0.436 166 E N 3.747 123.869 120.200 -0.130 0.000 2.398 166 E HA 0.015 4.364 4.350 -0.001 0.000 0.263 166 E C 0.743 177.261 176.600 -0.135 0.000 1.046 166 E CA 0.176 56.455 56.400 -0.202 0.000 0.908 166 E CB 1.101 30.548 29.700 -0.422 0.000 0.963 166 E HN 0.820 nan 8.360 nan 0.000 0.431 167 Q N 2.247 121.941 119.800 -0.176 0.000 2.082 167 Q HA -0.239 4.101 4.340 -0.001 0.000 0.211 167 Q C 1.705 177.625 176.000 -0.134 0.000 1.002 167 Q CA 3.221 58.899 55.803 -0.208 0.000 0.868 167 Q CB -0.622 27.866 28.738 -0.416 0.000 0.931 167 Q HN 0.786 nan 8.270 nan 0.000 0.414 168 T N -1.772 112.716 114.554 -0.109 0.000 2.849 168 T HA -0.091 4.258 4.350 -0.001 0.000 0.270 168 T C 0.401 175.111 174.700 0.017 0.000 1.066 168 T CA 1.280 63.365 62.100 -0.026 0.000 1.130 168 T CB -0.214 68.662 68.868 0.014 0.000 0.864 168 T HN 0.273 nan 8.240 nan 0.000 0.481 169 D N 0.743 121.155 120.400 0.020 0.000 2.487 169 D HA 0.609 5.248 4.640 -0.001 0.000 0.262 169 D C 1.130 177.448 176.300 0.029 0.000 1.130 169 D CA -0.081 53.951 54.000 0.053 0.000 1.038 169 D CB 1.357 42.221 40.800 0.107 0.000 1.142 169 D HN 0.357 nan 8.370 nan 0.000 0.575 170 A N 0.548 123.391 122.820 0.039 0.000 4.056 170 A HA -0.238 4.081 4.320 -0.001 0.000 1.023 170 A C 0.990 178.585 177.584 0.018 0.000 1.871 170 A CA 2.891 54.945 52.037 0.029 0.000 3.439 170 A CB -1.858 17.161 19.000 0.031 0.000 1.720 170 A HN 1.327 nan 8.150 nan 0.000 1.044 171 T N -4.961 109.604 114.554 0.017 0.000 3.720 171 T HA -0.108 4.241 4.350 -0.001 0.000 0.381 171 T C -1.046 173.666 174.700 0.020 0.000 0.763 171 T CA 1.144 63.253 62.100 0.015 0.000 1.957 171 T CB -2.352 66.522 68.868 0.009 0.000 1.767 171 T HN 0.702 nan 8.240 nan 0.000 0.743 172 P HA -0.158 nan 4.420 nan 0.000 0.200 172 P C 1.981 179.299 177.300 0.031 0.000 1.007 172 P CA 1.735 64.851 63.100 0.026 0.000 0.916 172 P CB -0.339 31.375 31.700 0.023 0.000 0.696 173 S N -0.440 115.277 115.700 0.028 0.000 2.359 173 S HA -0.239 4.230 4.470 -0.001 0.000 0.224 173 S C 1.456 176.074 174.600 0.029 0.000 1.035 173 S CA 0.955 59.173 58.200 0.029 0.000 1.018 173 S CB -1.735 61.479 63.200 0.023 0.000 0.876 173 S HN 0.338 nan 8.310 nan 0.000 0.448 174 Q N 1.735 121.549 119.800 0.023 0.000 2.684 174 Q HA 0.149 4.489 4.340 -0.001 0.000 0.233 174 Q C 0.614 176.627 176.000 0.023 0.000 1.352 174 Q CA 0.007 55.822 55.803 0.020 0.000 0.872 174 Q CB -0.102 28.644 28.738 0.014 0.000 1.674 174 Q HN 0.436 nan 8.270 nan 0.000 0.558 175 R N 1.220 121.739 120.500 0.031 0.000 2.487 175 R HA 0.068 4.407 4.340 -0.001 0.000 0.272 175 R C 0.709 177.034 176.300 0.041 0.000 0.928 175 R CA -0.232 55.888 56.100 0.035 0.000 1.077 175 R CB 0.650 30.980 30.300 0.050 0.000 1.265 175 R HN 0.446 nan 8.270 nan 0.000 0.537 176 E N 1.122 121.344 120.200 0.037 0.000 2.394 176 E HA -0.151 4.198 4.350 -0.001 0.000 0.202 176 E C 0.539 177.155 176.600 0.026 0.000 1.029 176 E CA 0.844 57.264 56.400 0.034 0.000 0.855 176 E CB -0.144 29.571 29.700 0.024 0.000 0.770 176 E HN 0.405 nan 8.360 nan 0.000 0.527 177 I N 1.117 121.700 120.570 0.021 0.000 2.710 177 I HA -0.085 4.084 4.170 -0.001 0.000 0.286 177 I C 1.575 177.699 176.117 0.012 0.000 1.181 177 I CA 0.572 61.880 61.300 0.013 0.000 1.430 177 I CB 0.398 38.403 38.000 0.008 0.000 1.367 177 I HN -0.120 nan 8.210 nan 0.000 0.577 178 R N 3.077 123.580 120.500 0.004 0.000 2.446 178 R HA 0.138 4.478 4.340 -0.001 0.000 0.254 178 R C 0.236 176.523 176.300 -0.022 0.000 0.918 178 R CA -0.162 55.934 56.100 -0.006 0.000 1.069 178 R CB 0.445 30.746 30.300 0.001 0.000 1.194 178 R HN 0.582 nan 8.270 nan 0.000 0.534 179 E N 2.473 122.669 120.200 -0.006 0.000 2.152 179 E HA 0.157 4.506 4.350 -0.001 0.000 0.285 179 E C -0.627 175.950 176.600 -0.038 0.000 1.043 179 E CA -0.310 56.092 56.400 0.002 0.000 0.839 179 E CB 1.021 30.742 29.700 0.035 0.000 1.069 179 E HN -0.053 nan 8.360 nan 0.000 0.399 180 V N 1.992 121.845 119.914 -0.103 0.000 3.019 180 V HA 0.491 4.610 4.120 -0.001 0.000 0.317 180 V C -0.258 175.773 176.094 -0.104 0.000 1.094 180 V CA -1.254 60.966 62.300 -0.134 0.000 1.000 180 V CB 1.806 33.412 31.823 -0.361 0.000 1.060 180 V HN 0.581 nan 8.190 nan 0.000 0.443 181 N N 1.760 120.446 118.700 -0.022 0.000 2.422 181 N HA 0.529 5.268 4.740 -0.001 0.000 0.264 181 N C 0.744 176.252 175.510 -0.004 0.000 1.063 181 N CA 0.267 53.300 53.050 -0.029 0.000 0.959 181 N CB 1.656 40.152 38.487 0.015 0.000 1.087 181 N HN 0.993 nan 8.380 nan 0.000 0.483 182 A N 3.052 125.804 122.820 -0.113 0.000 2.066 182 A HA 0.208 4.528 4.320 -0.001 0.000 0.218 182 A C 1.407 178.933 177.584 -0.097 0.000 1.157 182 A CA 0.968 52.952 52.037 -0.089 0.000 0.670 182 A CB -0.902 18.006 19.000 -0.153 0.000 0.804 182 A HN 1.227 nan 8.150 nan 0.000 0.453 183 G N -2.006 106.649 108.800 -0.242 0.000 2.137 183 G HA2 -0.134 3.825 3.960 -0.001 0.000 0.237 183 G HA3 -0.134 3.825 3.960 -0.001 0.000 0.237 183 G C -0.046 174.658 174.900 -0.328 0.000 1.002 183 G CA 0.185 45.156 45.100 -0.215 0.000 0.702 183 G HN 1.036 nan 8.290 nan 0.000 0.515 184 V N 0.499 120.055 119.914 -0.597 0.000 2.483 184 V HA 0.746 4.866 4.120 -0.001 0.000 0.297 184 V C -0.547 175.283 176.094 -0.439 0.000 1.027 184 V CA -1.007 61.107 62.300 -0.311 0.000 0.855 184 V CB 1.203 32.934 31.823 -0.154 0.000 0.995 184 V HN 0.311 nan 8.190 nan 0.000 0.424 185 Y N 2.064 122.310 120.300 -0.089 0.000 2.553 185 Y HA 0.851 5.400 4.550 -0.002 0.000 0.347 185 Y C 0.214 175.921 175.900 -0.323 0.000 1.019 185 Y CA -1.069 56.867 58.100 -0.273 0.000 1.032 185 Y CB 2.101 40.282 38.460 -0.464 0.000 1.284 185 Y HN 0.687 nan 8.280 nan 0.000 0.466 186 A N 2.132 124.739 122.820 -0.354 0.000 2.337 186 A HA 0.896 5.215 4.320 -0.001 0.000 0.329 186 A C -1.670 175.421 177.584 -0.822 0.000 1.146 186 A CA -0.568 51.139 52.037 -0.550 0.000 0.800 186 A CB 0.484 19.062 19.000 -0.704 0.000 1.220 186 A HN 0.611 nan 8.150 nan 0.000 0.472 187 F N 0.284 120.053 119.950 -0.301 0.000 2.578 187 F HA 0.336 4.862 4.527 -0.002 0.000 0.311 187 F C -0.014 175.863 175.800 0.129 0.000 1.094 187 F CA -0.586 57.391 58.000 -0.039 0.000 0.923 187 F CB 2.078 41.074 39.000 -0.008 0.000 1.230 187 F HN 0.710 nan 8.300 nan 0.000 0.450 188 D N 2.278 122.948 120.400 0.450 0.000 2.425 188 D HA 0.016 4.655 4.640 -0.001 0.000 0.247 188 D C 0.994 177.419 176.300 0.207 0.000 1.147 188 D CA 0.232 54.405 54.000 0.288 0.000 0.879 188 D CB 0.895 41.814 40.800 0.198 0.000 1.179 188 D HN 0.558 nan 8.370 nan 0.000 0.456 189 I N 4.397 125.060 120.570 0.155 0.000 2.163 189 I HA -0.234 3.935 4.170 -0.001 0.000 0.243 189 I C 1.972 178.122 176.117 0.055 0.000 1.085 189 I CA 2.115 63.480 61.300 0.109 0.000 1.347 189 I CB -0.213 37.873 38.000 0.144 0.000 1.044 189 I HN 0.597 nan 8.210 nan 0.000 0.408 190 A N 0.292 123.144 122.820 0.054 0.000 1.898 190 A HA -0.053 4.266 4.320 -0.001 0.000 0.216 190 A C 2.457 180.059 177.584 0.029 0.000 1.181 190 A CA 1.607 53.663 52.037 0.031 0.000 0.620 190 A CB -1.258 17.759 19.000 0.028 0.000 0.819 190 A HN 0.563 nan 8.150 nan 0.000 0.442 191 A N -0.704 122.150 122.820 0.057 0.000 2.015 191 A HA 0.023 4.343 4.320 -0.001 0.000 0.219 191 A C 2.069 179.665 177.584 0.021 0.000 1.163 191 A CA 1.612 53.687 52.037 0.063 0.000 0.646 191 A CB -0.470 18.598 19.000 0.114 0.000 0.806 191 A HN 0.613 nan 8.150 nan 0.000 0.448 192 L N -0.171 121.036 121.223 -0.026 0.000 2.072 192 L HA -0.058 4.281 4.340 -0.001 0.000 0.205 192 L C 2.389 179.152 176.870 -0.178 0.000 1.079 192 L CA 1.677 56.381 54.840 -0.227 0.000 0.752 192 L CB -0.528 41.296 42.059 -0.392 0.000 0.906 192 L HN 0.309 nan 8.230 nan 0.000 0.436 193 R N -1.146 119.297 120.500 -0.094 0.000 2.092 193 R HA -0.114 4.225 4.340 -0.001 0.000 0.231 193 R C 2.457 178.721 176.300 -0.059 0.000 1.119 193 R CA 1.337 57.393 56.100 -0.074 0.000 0.970 193 R CB -0.725 29.552 30.300 -0.037 0.000 0.864 193 R HN 0.462 nan 8.270 nan 0.000 0.440 194 S N 0.736 116.413 115.700 -0.038 0.000 2.348 194 S HA -0.126 4.343 4.470 -0.001 0.000 0.221 194 S C 2.110 176.696 174.600 -0.024 0.000 1.033 194 S CA 1.292 59.480 58.200 -0.021 0.000 1.010 194 S CB -0.107 63.092 63.200 -0.002 0.000 0.891 194 S HN 0.427 nan 8.310 nan 0.000 0.442 195 A N 1.277 124.077 122.820 -0.032 0.000 1.933 195 A HA 0.093 4.412 4.320 -0.001 0.000 0.218 195 A C 2.196 179.753 177.584 -0.045 0.000 1.175 195 A CA 1.335 53.357 52.037 -0.026 0.000 0.628 195 A CB -0.737 18.254 19.000 -0.016 0.000 0.814 195 A HN 0.590 nan 8.150 nan 0.000 0.444 196 L N 0.451 121.625 121.223 -0.081 0.000 2.141 196 L HA -0.143 4.196 4.340 -0.001 0.000 0.209 196 L C 2.818 179.661 176.870 -0.045 0.000 1.094 196 L CA 1.426 56.218 54.840 -0.080 0.000 0.763 196 L CB -0.494 41.491 42.059 -0.123 0.000 0.908 196 L HN 0.582 nan 8.230 nan 0.000 0.437 197 S N -0.331 115.345 115.700 -0.039 0.000 2.507 197 S HA -0.100 4.369 4.470 -0.001 0.000 0.235 197 S C 1.751 176.343 174.600 -0.014 0.000 0.988 197 S CA 0.495 58.681 58.200 -0.023 0.000 0.944 197 S CB -0.217 62.971 63.200 -0.021 0.000 0.762 197 S HN 0.433 nan 8.310 nan 0.000 0.526 198 R N -0.075 120.417 120.500 -0.013 0.000 2.468 198 R HA 0.360 4.699 4.340 -0.001 0.000 0.280 198 R C -0.941 175.355 176.300 -0.007 0.000 0.963 198 R CA -0.420 55.676 56.100 -0.007 0.000 1.083 198 R CB 0.105 30.405 30.300 -0.001 0.000 1.200 198 R HN 0.281 nan 8.270 nan 0.000 0.541 199 L N 1.602 122.818 121.223 -0.011 0.000 2.380 199 L HA 0.130 4.469 4.340 -0.001 0.000 0.273 199 L C 0.585 177.441 176.870 -0.024 0.000 1.138 199 L CA 0.322 55.155 54.840 -0.012 0.000 0.832 199 L CB 1.316 43.369 42.059 -0.009 0.000 1.124 199 L HN 0.083 nan 8.230 nan 0.000 0.454 200 S N 0.310 115.987 115.700 -0.038 0.000 2.638 200 S HA 0.640 5.109 4.470 -0.001 0.000 0.302 200 S C 0.243 174.778 174.600 -0.109 0.000 1.096 200 S CA -0.058 58.107 58.200 -0.058 0.000 0.953 200 S CB 1.653 64.826 63.200 -0.044 0.000 1.107 200 S HN 0.528 nan 8.310 nan 0.000 0.503 201 S N -0.227 115.402 115.700 -0.118 0.000 2.601 201 S HA 0.142 4.611 4.470 -0.001 0.000 0.244 201 S C 0.018 174.519 174.600 -0.165 0.000 1.001 201 S CA -0.746 57.346 58.200 -0.179 0.000 0.984 201 S CB -1.042 62.068 63.200 -0.149 0.000 0.842 201 S HN 0.788 nan 8.310 nan 0.000 0.474 202 N N 3.007 121.634 118.700 -0.121 0.000 2.739 202 N HA 0.222 4.962 4.740 -0.001 0.000 0.266 202 N C -0.607 174.848 175.510 -0.091 0.000 1.168 202 N CA -0.254 52.744 53.050 -0.086 0.000 1.055 202 N CB -0.650 37.807 38.487 -0.051 0.000 1.393 202 N HN 0.677 nan 8.380 nan 0.000 0.514 203 N N -0.915 117.716 118.700 -0.115 0.000 3.039 203 N HA 0.482 5.221 4.740 -0.001 0.000 0.257 203 N C 0.350 175.847 175.510 -0.021 0.000 1.497 203 N CA -0.592 52.415 53.050 -0.072 0.000 0.861 203 N CB 0.367 38.755 38.487 -0.165 0.000 1.479 203 N HN 0.023 nan 8.380 nan 0.000 0.547 204 A N -0.596 122.262 122.820 0.063 0.000 1.978 204 A HA -0.191 4.129 4.320 -0.001 0.000 0.220 204 A C 1.593 179.215 177.584 0.063 0.000 1.170 204 A CA 1.618 53.695 52.037 0.067 0.000 0.636 204 A CB -0.763 18.288 19.000 0.085 0.000 0.810 204 A HN 0.713 nan 8.150 nan 0.000 0.448 205 Q N -2.700 117.158 119.800 0.096 0.000 2.384 205 Q HA 0.106 4.445 4.340 -0.001 0.000 0.207 205 Q C -0.016 175.979 176.000 -0.008 0.000 0.904 205 Q CA 0.307 56.160 55.803 0.082 0.000 0.933 205 Q CB 0.551 29.415 28.738 0.210 0.000 1.077 205 Q HN 0.576 nan 8.270 nan 0.000 0.522 206 Q N 1.213 120.961 119.800 -0.088 0.000 2.459 206 Q HA -0.196 4.143 4.340 -0.001 0.000 0.314 206 Q C -1.469 174.442 176.000 -0.148 0.000 1.432 206 Q CA 0.815 56.545 55.803 -0.122 0.000 0.823 206 Q CB -1.160 27.540 28.738 -0.064 0.000 1.124 206 Q HN 0.394 nan 8.270 nan 0.000 0.392 207 E N -0.336 119.699 120.200 -0.274 0.000 2.416 207 E HA 0.505 4.854 4.350 -0.001 0.000 0.273 207 E C -0.803 175.611 176.600 -0.310 0.000 0.935 207 E CA -1.214 55.062 56.400 -0.206 0.000 0.784 207 E CB 1.091 30.766 29.700 -0.042 0.000 1.301 207 E HN 0.223 nan 8.360 nan 0.000 0.454 208 L N 2.913 124.063 121.223 -0.121 0.000 2.312 208 L HA 0.246 4.585 4.340 -0.001 0.000 0.287 208 L C -0.816 176.092 176.870 0.064 0.000 1.091 208 L CA -0.442 54.361 54.840 -0.063 0.000 0.846 208 L CB -0.499 41.567 42.059 0.013 0.000 1.219 208 L HN 0.294 nan 8.230 nan 0.000 0.439 209 Y N 2.730 123.039 120.300 0.014 0.000 2.402 209 Y HA 0.005 4.554 4.550 -0.002 0.000 0.333 209 Y C 0.843 176.746 175.900 0.006 0.000 1.076 209 Y CA -0.768 57.343 58.100 0.018 0.000 1.299 209 Y CB 0.831 39.305 38.460 0.023 0.000 1.197 209 Y HN 0.440 nan 8.280 nan 0.000 0.517 210 L N 2.920 124.231 121.223 0.145 0.000 2.191 210 L HA -0.174 4.165 4.340 -0.001 0.000 0.212 210 L C 2.182 179.078 176.870 0.043 0.000 1.103 210 L CA 2.330 57.184 54.840 0.022 0.000 0.769 210 L CB -1.137 40.887 42.059 -0.059 0.000 0.908 210 L HN 0.861 nan 8.230 nan 0.000 0.438 211 T N -4.714 109.911 114.554 0.120 0.000 2.881 211 T HA -0.172 4.177 4.350 -0.001 0.000 0.270 211 T C 1.632 176.414 174.700 0.138 0.000 1.068 211 T CA 1.271 63.455 62.100 0.140 0.000 1.131 211 T CB -0.518 68.391 68.868 0.068 0.000 0.871 211 T HN 0.265 nan 8.240 nan 0.000 0.479 212 D N 0.905 121.395 120.400 0.149 0.000 2.219 212 D HA 0.016 4.655 4.640 -0.001 0.000 0.205 212 D C 2.213 178.570 176.300 0.096 0.000 0.970 212 D CA 0.283 54.362 54.000 0.131 0.000 0.851 212 D CB -0.430 40.449 40.800 0.132 0.000 0.943 212 D HN 0.267 nan 8.370 nan 0.000 0.488 213 V N 1.451 121.415 119.914 0.083 0.000 2.370 213 V HA -0.274 3.845 4.120 -0.001 0.000 0.252 213 V C 2.270 178.443 176.094 0.131 0.000 1.068 213 V CA 0.949 63.298 62.300 0.082 0.000 1.061 213 V CB -0.317 31.531 31.823 0.041 0.000 0.656 213 V HN 0.199 nan 8.190 nan 0.000 0.455 214 I N 0.744 121.403 120.570 0.147 0.000 2.118 214 I HA -0.265 3.905 4.170 -0.001 0.000 0.241 214 I C 2.688 178.866 176.117 0.102 0.000 1.070 214 I CA 2.175 63.558 61.300 0.138 0.000 1.327 214 I CB -1.905 36.177 38.000 0.136 0.000 1.034 214 I HN 0.327 nan 8.210 nan 0.000 0.405 215 A N 0.353 123.225 122.820 0.087 0.000 1.969 215 A HA -0.125 4.194 4.320 -0.001 0.000 0.218 215 A C 2.422 180.042 177.584 0.061 0.000 1.169 215 A CA 1.290 53.368 52.037 0.068 0.000 0.635 215 A CB -0.710 18.328 19.000 0.063 0.000 0.810 215 A HN 0.410 nan 8.150 nan 0.000 0.445 216 I N -0.517 120.092 120.570 0.064 0.000 2.233 216 I HA -0.215 3.954 4.170 -0.001 0.000 0.243 216 I C 2.278 178.428 176.117 0.056 0.000 1.093 216 I CA 1.017 62.348 61.300 0.052 0.000 1.380 216 I CB -0.242 37.784 38.000 0.043 0.000 1.067 216 I HN 0.268 nan 8.210 nan 0.000 0.413 217 L N -0.208 121.060 121.223 0.075 0.000 2.093 217 L HA -0.143 4.196 4.340 -0.001 0.000 0.208 217 L C 2.701 179.613 176.870 0.069 0.000 1.085 217 L CA 0.764 55.652 54.840 0.080 0.000 0.755 217 L CB -0.639 41.489 42.059 0.114 0.000 0.904 217 L HN 0.169 nan 8.230 nan 0.000 0.435 218 R N 0.057 120.599 120.500 0.069 0.000 2.119 218 R HA -0.161 4.178 4.340 -0.001 0.000 0.246 218 R C 2.423 178.750 176.300 0.044 0.000 1.146 218 R CA 1.717 57.851 56.100 0.056 0.000 0.962 218 R CB -0.819 29.513 30.300 0.053 0.000 0.863 218 R HN 0.305 nan 8.270 nan 0.000 0.442 219 S N 0.951 116.676 115.700 0.041 0.000 2.399 219 S HA -0.101 4.369 4.470 -0.001 0.000 0.231 219 S C 0.616 175.234 174.600 0.030 0.000 1.022 219 S CA 1.128 59.348 58.200 0.033 0.000 0.983 219 S CB -0.035 63.183 63.200 0.030 0.000 0.803 219 S HN 0.290 nan 8.310 nan 0.000 0.480 220 D N 0.940 121.361 120.400 0.035 0.000 2.434 220 D HA 0.257 4.896 4.640 -0.001 0.000 0.232 220 D C 1.091 177.411 176.300 0.033 0.000 1.166 220 D CA 0.094 54.113 54.000 0.032 0.000 0.830 220 D CB -0.586 40.234 40.800 0.033 0.000 0.960 220 D HN 0.338 nan 8.370 nan 0.000 0.497 221 G N 1.557 110.377 108.800 0.033 0.000 2.467 221 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.302 221 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.302 221 G C 0.449 175.372 174.900 0.038 0.000 0.930 221 G CA 0.386 45.506 45.100 0.033 0.000 1.008 221 G HN 0.209 nan 8.290 nan 0.000 0.512 222 Q N -0.486 119.342 119.800 0.047 0.000 2.318 222 Q HA 0.359 4.698 4.340 -0.001 0.000 0.222 222 Q C 0.522 176.559 176.000 0.061 0.000 1.003 222 Q CA -0.011 55.825 55.803 0.055 0.000 0.936 222 Q CB 0.606 29.386 28.738 0.070 0.000 1.204 222 Q HN 0.237 nan 8.270 nan 0.000 0.524 223 T N 1.138 115.730 114.554 0.063 0.000 2.729 223 T HA 0.317 4.666 4.350 -0.001 0.000 0.296 223 T C -0.163 174.597 174.700 0.100 0.000 0.928 223 T CA -0.386 61.757 62.100 0.072 0.000 1.045 223 T CB 0.256 69.153 68.868 0.050 0.000 0.902 223 T HN 0.196 nan 8.240 nan 0.000 0.500 224 V N 5.163 125.140 119.914 0.106 0.000 2.334 224 V HA 0.272 4.391 4.120 -0.001 0.000 0.281 224 V C 0.067 176.242 176.094 0.134 0.000 1.016 224 V CA -0.872 61.497 62.300 0.115 0.000 0.832 224 V CB 0.730 32.607 31.823 0.090 0.000 0.999 224 V HN 0.830 nan 8.190 nan 0.000 0.439 225 H N 3.988 123.088 119.070 0.049 0.000 2.504 225 H HA 0.695 5.250 4.556 -0.002 0.000 0.322 225 H C -0.291 175.054 175.328 0.029 0.000 1.055 225 H CA -0.300 55.772 56.048 0.038 0.000 1.231 225 H CB 1.901 31.687 29.762 0.040 0.000 1.417 225 H HN 0.754 nan 8.280 nan 0.000 0.472 226 A N 3.890 126.570 122.820 -0.233 0.000 2.301 226 A HA 0.337 4.657 4.320 -0.001 0.000 0.312 226 A C -0.233 177.250 177.584 -0.169 0.000 1.182 226 A CA -0.551 51.406 52.037 -0.134 0.000 0.826 226 A CB 0.881 19.828 19.000 -0.088 0.000 1.134 226 A HN 0.564 nan 8.150 nan 0.000 0.501 227 S N 1.457 117.141 115.700 -0.028 0.000 2.669 227 S HA 0.371 4.840 4.470 -0.001 0.000 0.315 227 S C -0.602 174.012 174.600 0.022 0.000 1.106 227 S CA -0.470 57.749 58.200 0.032 0.000 1.107 227 S CB -0.085 63.183 63.200 0.113 0.000 0.990 227 S HN 0.814 nan 8.310 nan 0.000 0.471 228 H N 3.504 122.544 119.070 -0.050 0.000 2.848 228 H HA 0.364 4.919 4.556 -0.001 0.000 0.317 228 H C -0.490 174.812 175.328 -0.043 0.000 1.046 228 H CA 0.318 56.333 56.048 -0.054 0.000 1.470 228 H CB 0.537 30.266 29.762 -0.055 0.000 1.483 228 H HN 0.370 nan 8.280 nan 0.000 0.548 229 V N 6.906 126.608 119.914 -0.353 0.000 2.318 229 V HA 0.012 4.131 4.120 -0.001 0.000 0.271 229 V C 0.664 176.595 176.094 -0.271 0.000 1.030 229 V CA -0.509 61.658 62.300 -0.222 0.000 0.844 229 V CB 1.218 32.931 31.823 -0.185 0.000 1.015 229 V HN 0.937 nan 8.190 nan 0.000 0.460 230 D N 2.252 122.608 120.400 -0.074 0.000 2.097 230 D HA -0.121 4.518 4.640 -0.001 0.000 0.195 230 D C 1.018 177.288 176.300 -0.049 0.000 0.989 230 D CA 1.330 55.326 54.000 -0.007 0.000 0.827 230 D CB 0.137 40.969 40.800 0.053 0.000 0.966 230 D HN 0.638 nan 8.370 nan 0.000 0.456 231 D N 0.516 120.885 120.400 -0.052 0.000 2.455 231 D HA 0.052 4.691 4.640 -0.001 0.000 0.234 231 D C 0.741 176.997 176.300 -0.075 0.000 1.224 231 D CA 0.044 54.014 54.000 -0.050 0.000 0.999 231 D CB 0.375 41.153 40.800 -0.038 0.000 1.072 231 D HN -0.230 nan 8.370 nan 0.000 0.514 232 S N 2.262 117.911 115.700 -0.085 0.000 2.402 232 S HA -0.235 4.234 4.470 -0.001 0.000 0.233 232 S C 1.973 176.528 174.600 -0.075 0.000 1.030 232 S CA 1.162 59.297 58.200 -0.108 0.000 1.003 232 S CB -0.046 63.090 63.200 -0.107 0.000 0.813 232 S HN 0.680 nan 8.310 nan 0.000 0.477 233 A N 1.220 124.011 122.820 -0.048 0.000 2.019 233 A HA 0.050 4.369 4.320 -0.001 0.000 0.219 233 A C 1.950 179.516 177.584 -0.029 0.000 1.164 233 A CA 0.898 52.918 52.037 -0.028 0.000 0.644 233 A CB -0.600 18.386 19.000 -0.023 0.000 0.805 233 A HN 0.496 nan 8.150 nan 0.000 0.449 234 L N -0.382 120.817 121.223 -0.040 0.000 2.362 234 L HA -0.086 4.253 4.340 -0.001 0.000 0.219 234 L C 1.417 178.267 176.870 -0.034 0.000 1.134 234 L CA 1.082 55.900 54.840 -0.037 0.000 0.807 234 L CB -0.133 41.902 42.059 -0.041 0.000 0.927 234 L HN 0.451 nan 8.230 nan 0.000 0.447 235 V N -4.743 115.148 119.914 -0.038 0.000 3.111 235 V HA 0.517 4.636 4.120 -0.001 0.000 0.343 235 V C 0.579 176.691 176.094 0.031 0.000 1.417 235 V CA -0.499 61.785 62.300 -0.027 0.000 1.142 235 V CB -0.128 31.651 31.823 -0.073 0.000 1.114 235 V HN 0.076 nan 8.190 nan 0.000 0.520 236 A N 0.735 123.583 122.820 0.047 0.000 2.354 236 A HA 0.801 5.120 4.320 -0.001 0.000 0.269 236 A C 0.722 178.379 177.584 0.123 0.000 1.109 236 A CA 0.425 52.543 52.037 0.135 0.000 0.800 236 A CB 0.464 19.522 19.000 0.095 0.000 1.045 236 A HN 0.964 nan 8.150 nan 0.000 0.489 237 G N -0.398 108.497 108.800 0.159 0.000 2.451 237 G HA2 0.517 4.477 3.960 -0.001 0.000 0.303 237 G HA3 0.517 4.477 3.960 -0.001 0.000 0.303 237 G C -0.938 173.950 174.900 -0.020 0.000 1.166 237 G CA -0.361 44.743 45.100 0.007 0.000 0.884 237 G HN 0.849 nan 8.290 nan 0.000 0.514 238 V N 2.024 121.918 119.914 -0.033 0.000 2.357 238 V HA 0.238 4.357 4.120 -0.001 0.000 0.281 238 V C -0.217 175.846 176.094 -0.052 0.000 1.015 238 V CA -0.790 61.493 62.300 -0.029 0.000 0.827 238 V CB 1.292 33.111 31.823 -0.006 0.000 1.018 238 V HN 0.730 nan 8.190 nan 0.000 0.432 239 N N 3.338 121.999 118.700 -0.065 0.000 2.250 239 N HA 0.107 4.846 4.740 -0.001 0.000 0.190 239 N C 0.193 175.671 175.510 -0.052 0.000 1.116 239 N CA 0.172 53.183 53.050 -0.064 0.000 0.881 239 N CB 0.605 39.046 38.487 -0.078 0.000 1.006 239 N HN 0.872 nan 8.380 nan 0.000 0.491 240 N N -1.573 117.099 118.700 -0.047 0.000 2.732 240 N HA 0.269 5.008 4.740 -0.001 0.000 0.259 240 N C 0.106 175.587 175.510 -0.049 0.000 1.402 240 N CA -0.674 52.349 53.050 -0.045 0.000 0.829 240 N CB 1.186 39.665 38.487 -0.014 0.000 1.495 240 N HN -0.325 nan 8.380 nan 0.000 0.511 241 R N -0.382 120.089 120.500 -0.050 0.000 2.189 241 R HA 0.030 4.369 4.340 -0.001 0.000 0.223 241 R C 1.125 177.423 176.300 -0.003 0.000 1.092 241 R CA 0.945 57.027 56.100 -0.031 0.000 0.989 241 R CB -0.516 29.768 30.300 -0.026 0.000 0.876 241 R HN 0.406 nan 8.270 nan 0.000 0.457 242 V N 1.393 121.308 119.914 0.002 0.000 2.261 242 V HA -0.275 3.844 4.120 -0.001 0.000 0.246 242 V C 2.272 178.382 176.094 0.027 0.000 1.047 242 V CA 1.793 64.102 62.300 0.015 0.000 1.015 242 V CB -0.508 31.322 31.823 0.012 0.000 0.642 242 V HN 0.353 nan 8.190 nan 0.000 0.446 243 Q N -0.719 119.096 119.800 0.024 0.000 2.124 243 Q HA -0.201 4.138 4.340 -0.001 0.000 0.202 243 Q C 2.268 178.288 176.000 0.032 0.000 0.977 243 Q CA 1.549 57.372 55.803 0.034 0.000 0.850 243 Q CB -0.335 28.418 28.738 0.025 0.000 0.901 243 Q HN 0.522 nan 8.270 nan 0.000 0.429 244 L N 0.888 122.123 121.223 0.020 0.000 1.989 244 L HA -0.189 4.150 4.340 -0.001 0.000 0.211 244 L C 2.202 179.103 176.870 0.052 0.000 1.071 244 L CA 2.298 57.156 54.840 0.030 0.000 0.749 244 L CB -0.815 41.256 42.059 0.019 0.000 0.890 244 L HN 0.133 nan 8.230 nan 0.000 0.431 245 A N -1.358 121.492 122.820 0.050 0.000 1.930 245 A HA -0.160 4.159 4.320 -0.001 0.000 0.217 245 A C 2.133 179.784 177.584 0.112 0.000 1.175 245 A CA 1.408 53.488 52.037 0.072 0.000 0.627 245 A CB -0.591 18.439 19.000 0.049 0.000 0.815 245 A HN 0.499 nan 8.150 nan 0.000 0.443 246 E N 0.283 120.533 120.200 0.083 0.000 2.021 246 E HA -0.166 4.183 4.350 -0.001 0.000 0.200 246 E C 1.986 178.636 176.600 0.082 0.000 1.015 246 E CA 1.109 57.558 56.400 0.081 0.000 0.824 246 E CB -0.564 29.173 29.700 0.062 0.000 0.762 246 E HN 0.568 nan 8.360 nan 0.000 0.454 247 L N -0.100 121.163 121.223 0.065 0.000 2.131 247 L HA -0.167 4.172 4.340 -0.001 0.000 0.210 247 L C 2.260 179.169 176.870 0.066 0.000 1.092 247 L CA 1.085 55.953 54.840 0.046 0.000 0.759 247 L CB -0.517 41.556 42.059 0.024 0.000 0.903 247 L HN 0.120 nan 8.230 nan 0.000 0.435 248 A N -0.860 122.030 122.820 0.117 0.000 1.933 248 A HA -0.231 4.088 4.320 -0.001 0.000 0.218 248 A C 2.547 180.312 177.584 0.301 0.000 1.175 248 A CA 2.010 54.170 52.037 0.205 0.000 0.628 248 A CB -0.515 18.619 19.000 0.223 0.000 0.814 248 A HN 0.431 nan 8.150 nan 0.000 0.444 249 S N -0.665 115.197 115.700 0.270 0.000 2.371 249 S HA -0.157 4.312 4.470 -0.001 0.000 0.224 249 S C 2.009 176.602 174.600 -0.011 0.000 1.029 249 S CA 1.621 59.916 58.200 0.158 0.000 0.978 249 S CB -0.287 63.041 63.200 0.213 0.000 0.833 249 S HN 0.537 nan 8.310 nan 0.000 0.466 250 E N 1.040 121.251 120.200 0.017 0.000 2.077 250 E HA -0.089 4.260 4.350 -0.001 0.000 0.193 250 E C 1.918 178.501 176.600 -0.027 0.000 0.989 250 E CA 1.233 57.624 56.400 -0.015 0.000 0.800 250 E CB -0.684 29.014 29.700 -0.003 0.000 0.746 250 E HN 0.497 nan 8.360 nan 0.000 0.452 251 L N 0.882 122.101 121.223 -0.007 0.000 2.046 251 L HA -0.123 4.216 4.340 -0.001 0.000 0.208 251 L C 1.972 178.830 176.870 -0.021 0.000 1.077 251 L CA 2.186 57.018 54.840 -0.014 0.000 0.747 251 L CB -0.964 41.083 42.059 -0.021 0.000 0.896 251 L HN 0.182 nan 8.230 nan 0.000 0.432 252 N N -0.307 118.369 118.700 -0.040 0.000 2.104 252 N HA -0.226 4.513 4.740 -0.001 0.000 0.190 252 N C 2.040 177.448 175.510 -0.171 0.000 1.024 252 N CA 1.569 54.530 53.050 -0.148 0.000 0.853 252 N CB -0.099 38.106 38.487 -0.471 0.000 1.008 252 N HN 0.287 nan 8.380 nan 0.000 0.424 253 R N -0.308 120.095 120.500 -0.163 0.000 2.105 253 R HA -0.011 4.328 4.340 -0.001 0.000 0.239 253 R C 2.164 178.414 176.300 -0.083 0.000 1.135 253 R CA 1.375 57.398 56.100 -0.130 0.000 0.967 253 R CB -0.055 30.185 30.300 -0.100 0.000 0.861 253 R HN 0.282 nan 8.270 nan 0.000 0.442 254 R N -0.550 119.911 120.500 -0.064 0.000 2.093 254 R HA -0.006 4.333 4.340 -0.001 0.000 0.224 254 R C 2.219 178.491 176.300 -0.047 0.000 1.101 254 R CA 0.820 56.890 56.100 -0.050 0.000 0.979 254 R CB -0.058 30.217 30.300 -0.042 0.000 0.877 254 R HN 0.030 nan 8.270 nan 0.000 0.441 255 V N 0.463 120.358 119.914 -0.032 0.000 2.295 255 V HA -0.221 3.899 4.120 -0.001 0.000 0.246 255 V C 2.281 178.411 176.094 0.060 0.000 1.049 255 V CA 1.554 63.852 62.300 -0.005 0.000 1.024 255 V CB -0.314 31.538 31.823 0.049 0.000 0.648 255 V HN 0.107 nan 8.190 nan 0.000 0.447 256 V N 0.464 120.399 119.914 0.036 0.000 2.252 256 V HA -0.334 3.785 4.120 -0.001 0.000 0.249 256 V C 2.753 178.860 176.094 0.021 0.000 1.056 256 V CA 2.352 64.674 62.300 0.035 0.000 1.022 256 V CB -1.232 30.552 31.823 -0.064 0.000 0.641 256 V HN 0.576 nan 8.190 nan 0.000 0.445 257 A N -0.231 122.574 122.820 -0.024 0.000 1.908 257 A HA -0.167 4.152 4.320 -0.001 0.000 0.218 257 A C 2.417 179.978 177.584 -0.038 0.000 1.181 257 A CA 2.302 54.320 52.037 -0.032 0.000 0.627 257 A CB -0.835 18.141 19.000 -0.041 0.000 0.818 257 A HN 0.626 nan 8.150 nan 0.000 0.445 258 A N -1.153 121.623 122.820 -0.073 0.000 1.902 258 A HA -0.204 4.115 4.320 -0.001 0.000 0.217 258 A C 2.071 179.568 177.584 -0.144 0.000 1.181 258 A CA 1.632 53.591 52.037 -0.130 0.000 0.623 258 A CB -0.905 17.974 19.000 -0.202 0.000 0.818 258 A HN 0.678 nan 8.150 nan 0.000 0.443 259 H N -0.343 118.706 119.070 -0.035 0.000 2.357 259 H HA -0.102 4.452 4.556 -0.002 0.000 0.301 259 H C 2.283 177.589 175.328 -0.037 0.000 1.082 259 H CA 1.792 57.819 56.048 -0.035 0.000 1.342 259 H CB -0.312 29.427 29.762 -0.038 0.000 1.389 259 H HN 0.684 nan 8.280 nan 0.000 0.511 260 Q N 0.388 120.229 119.800 0.069 0.000 2.061 260 Q HA -0.124 4.215 4.340 -0.001 0.000 0.204 260 Q C 2.596 178.597 176.000 0.002 0.000 0.984 260 Q CA 1.090 56.904 55.803 0.018 0.000 0.846 260 Q CB -0.128 28.608 28.738 -0.005 0.000 0.902 260 Q HN 0.380 nan 8.270 nan 0.000 0.421 261 L N -0.025 121.192 121.223 -0.010 0.000 2.191 261 L HA -0.129 4.210 4.340 -0.001 0.000 0.212 261 L C 2.055 178.916 176.870 -0.015 0.000 1.103 261 L CA 0.666 55.495 54.840 -0.018 0.000 0.769 261 L CB -0.353 41.689 42.059 -0.028 0.000 0.908 261 L HN 0.203 nan 8.230 nan 0.000 0.438 262 A N -0.707 122.107 122.820 -0.010 0.000 2.251 262 A HA 0.354 4.673 4.320 -0.001 0.000 0.209 262 A C 1.491 179.081 177.584 0.010 0.000 1.187 262 A CA 0.693 52.728 52.037 -0.003 0.000 0.823 262 A CB -0.141 18.854 19.000 -0.009 0.000 0.846 262 A HN 0.488 nan 8.150 nan 0.000 0.486 263 G N -1.534 107.271 108.800 0.009 0.000 2.151 263 G HA2 -0.091 3.868 3.960 -0.001 0.000 0.156 263 G HA3 -0.091 3.868 3.960 -0.001 0.000 0.156 263 G C -0.197 174.705 174.900 0.003 0.000 1.017 263 G CA -0.123 44.979 45.100 0.003 0.000 0.686 263 G HN 0.795 nan 8.290 nan 0.000 0.503 264 V N 1.371 121.291 119.914 0.010 0.000 2.357 264 V HA 0.540 4.659 4.120 -0.001 0.000 0.284 264 V C 0.735 176.812 176.094 -0.029 0.000 1.018 264 V CA -0.356 61.939 62.300 -0.009 0.000 0.841 264 V CB 1.524 33.351 31.823 0.008 0.000 0.991 264 V HN 0.280 nan 8.190 nan 0.000 0.437 265 T N 5.068 119.590 114.554 -0.054 0.000 2.738 265 T HA 0.284 4.633 4.350 -0.001 0.000 0.293 265 T C 0.029 174.664 174.700 -0.108 0.000 0.913 265 T CA 0.053 62.107 62.100 -0.075 0.000 1.103 265 T CB 0.534 69.351 68.868 -0.086 0.000 0.880 265 T HN 0.401 nan 8.240 nan 0.000 0.526 266 V N 6.095 125.953 119.914 -0.092 0.000 2.313 266 V HA 0.117 4.236 4.120 -0.001 0.000 0.278 266 V C 1.407 177.441 176.094 -0.099 0.000 1.017 266 V CA -0.430 61.807 62.300 -0.105 0.000 0.823 266 V CB 1.120 32.895 31.823 -0.081 0.000 1.010 266 V HN 0.783 nan 8.190 nan 0.000 0.443 267 V N 2.468 122.305 119.914 -0.128 0.000 2.287 267 V HA -0.136 3.983 4.120 -0.001 0.000 0.248 267 V C 1.061 177.125 176.094 -0.051 0.000 1.053 267 V CA 2.136 64.382 62.300 -0.089 0.000 1.027 267 V CB -0.147 31.623 31.823 -0.088 0.000 0.646 267 V HN 0.974 nan 8.190 nan 0.000 0.447 268 D N -1.374 118.996 120.400 -0.050 0.000 2.400 268 D HA 0.279 4.919 4.640 -0.001 0.000 0.272 268 D C -1.904 174.355 176.300 -0.069 0.000 1.220 268 D CA -2.153 51.823 54.000 -0.040 0.000 0.897 268 D CB 1.588 42.382 40.800 -0.011 0.000 1.134 268 D HN 0.044 nan 8.370 nan 0.000 0.507 269 P HA -0.177 nan 4.420 nan 0.000 0.216 269 P C 1.196 178.380 177.300 -0.193 0.000 1.154 269 P CA 1.498 64.519 63.100 -0.131 0.000 0.865 269 P CB 0.274 31.908 31.700 -0.110 0.000 0.789 270 A N -0.841 121.897 122.820 -0.138 0.000 2.019 270 A HA -0.131 4.189 4.320 -0.001 0.000 0.219 270 A C 1.777 179.282 177.584 -0.133 0.000 1.164 270 A CA 2.169 54.124 52.037 -0.136 0.000 0.644 270 A CB -1.544 17.425 19.000 -0.051 0.000 0.805 270 A HN 0.369 nan 8.150 nan 0.000 0.449 271 T N -3.449 111.053 114.554 -0.086 0.000 3.293 271 T HA 0.376 4.725 4.350 -0.001 0.000 0.276 271 T C -0.174 174.512 174.700 -0.023 0.000 1.003 271 T CA 0.004 62.106 62.100 0.004 0.000 0.916 271 T CB -0.159 68.757 68.868 0.081 0.000 1.134 271 T HN 0.033 nan 8.240 nan 0.000 0.530 272 T N 2.190 116.621 114.554 -0.204 0.000 2.864 272 T HA 0.414 4.763 4.350 -0.001 0.000 0.310 272 T C -1.160 173.354 174.700 -0.310 0.000 1.040 272 T CA -0.571 61.442 62.100 -0.144 0.000 0.977 272 T CB 0.345 69.148 68.868 -0.109 0.000 0.976 272 T HN 0.429 nan 8.240 nan 0.000 0.459 273 W N 3.726 125.026 121.300 -0.000 0.000 2.331 273 W HA 0.637 5.296 4.660 -0.002 0.000 0.306 273 W C -0.147 176.371 176.519 -0.002 0.000 1.162 273 W CA -0.873 56.475 57.345 0.006 0.000 1.232 273 W CB 0.480 29.947 29.460 0.011 0.000 1.235 273 W HN 0.436 nan 8.180 nan 0.000 0.479 274 I N 4.144 124.797 120.570 0.138 0.000 2.439 274 I HA 0.120 4.290 4.170 -0.001 0.000 0.283 274 I C -0.340 175.858 176.117 0.133 0.000 1.023 274 I CA -1.035 60.321 61.300 0.093 0.000 1.100 274 I CB 1.136 39.155 38.000 0.031 0.000 1.238 274 I HN 0.185 nan 8.210 nan 0.000 0.445 275 D N 4.538 125.011 120.400 0.122 0.000 2.423 275 D HA 0.079 4.718 4.640 -0.001 0.000 0.238 275 D C 0.069 176.430 176.300 0.101 0.000 1.142 275 D CA 0.074 54.141 54.000 0.112 0.000 0.884 275 D CB 1.216 42.060 40.800 0.074 0.000 1.199 275 D HN 0.296 nan 8.370 nan 0.000 0.438 276 V N -0.063 119.905 119.914 0.091 0.000 2.446 276 V HA 0.286 4.405 4.120 -0.001 0.000 0.276 276 V C 0.225 176.339 176.094 0.033 0.000 1.030 276 V CA -0.151 62.189 62.300 0.067 0.000 1.033 276 V CB 0.841 32.699 31.823 0.057 0.000 0.993 276 V HN 0.583 nan 8.190 nan 0.000 0.477 277 D N 1.615 122.042 120.400 0.044 0.000 1.836 277 D HA -0.150 4.489 4.640 -0.001 0.000 0.244 277 D C 0.222 176.549 176.300 0.044 0.000 0.698 277 D CA 0.912 54.926 54.000 0.024 0.000 1.037 277 D CB -0.820 39.978 40.800 -0.004 0.000 1.478 277 D HN 0.637 nan 8.370 nan 0.000 0.762 278 V N 2.564 122.514 119.914 0.060 0.000 2.617 278 V HA 0.313 4.433 4.120 -0.001 0.000 0.304 278 V C 0.993 177.152 176.094 0.109 0.000 1.040 278 V CA 1.221 63.551 62.300 0.050 0.000 1.149 278 V CB 0.737 32.574 31.823 0.023 0.000 0.914 278 V HN 0.403 nan 8.190 nan 0.000 0.487 279 T N 3.611 118.206 114.554 0.069 0.000 2.888 279 T HA 0.843 5.193 4.350 -0.001 0.000 0.284 279 T C -0.770 173.946 174.700 0.028 0.000 1.017 279 T CA -0.712 61.450 62.100 0.103 0.000 1.022 279 T CB 1.718 70.620 68.868 0.057 0.000 1.013 279 T HN 0.407 nan 8.240 nan 0.000 0.465 280 I N 1.212 121.811 120.570 0.048 0.000 2.610 280 I HA 0.538 4.707 4.170 -0.001 0.000 0.289 280 I C 0.523 176.656 176.117 0.026 0.000 1.163 280 I CA -1.074 60.209 61.300 -0.028 0.000 1.044 280 I CB 2.217 40.106 38.000 -0.184 0.000 1.251 280 I HN 0.949 nan 8.210 nan 0.000 0.424 281 G N 3.694 112.495 108.800 0.001 0.000 2.502 281 G HA2 0.462 4.421 3.960 -0.001 0.000 0.305 281 G HA3 0.462 4.421 3.960 -0.001 0.000 0.305 281 G C -0.369 174.532 174.900 0.003 0.000 1.190 281 G CA -0.695 44.410 45.100 0.009 0.000 0.933 281 G HN 0.750 nan 8.290 nan 0.000 0.503 282 R N 0.098 120.601 120.500 0.005 0.000 2.638 282 R HA 0.023 4.362 4.340 -0.001 0.000 0.268 282 R C -0.331 175.965 176.300 -0.007 0.000 1.006 282 R CA 0.791 56.892 56.100 0.001 0.000 1.088 282 R CB 0.067 30.368 30.300 0.000 0.000 0.950 282 R HN 0.555 nan 8.270 nan 0.000 0.419 283 D N 0.524 120.917 120.400 -0.011 0.000 3.079 283 D HA -0.165 4.474 4.640 -0.001 0.000 0.214 283 D C -0.036 176.249 176.300 -0.024 0.000 1.145 283 D CA 1.909 55.899 54.000 -0.017 0.000 0.958 283 D CB -1.131 39.662 40.800 -0.012 0.000 1.117 283 D HN 0.825 nan 8.370 nan 0.000 0.416 284 T N -2.657 111.879 114.554 -0.031 0.000 2.882 284 T HA 0.531 4.880 4.350 -0.001 0.000 0.287 284 T C 0.319 174.979 174.700 -0.066 0.000 1.014 284 T CA -0.597 61.478 62.100 -0.042 0.000 1.049 284 T CB 2.192 71.033 68.868 -0.045 0.000 1.001 284 T HN -0.090 nan 8.240 nan 0.000 0.525 285 V N 3.460 123.323 119.914 -0.084 0.000 2.444 285 V HA 0.404 4.523 4.120 -0.001 0.000 0.294 285 V C -0.409 175.559 176.094 -0.209 0.000 1.022 285 V CA -0.997 61.204 62.300 -0.165 0.000 0.850 285 V CB 1.381 33.097 31.823 -0.178 0.000 0.992 285 V HN 0.795 nan 8.190 nan 0.000 0.426 286 I N 4.290 124.717 120.570 -0.238 0.000 2.328 286 I HA 0.439 4.608 4.170 -0.001 0.000 0.287 286 I C 0.235 176.206 176.117 -0.245 0.000 1.012 286 I CA -0.357 60.836 61.300 -0.179 0.000 1.195 286 I CB 0.564 38.492 38.000 -0.119 0.000 1.350 286 I HN 0.631 nan 8.210 nan 0.000 0.464 287 H N 6.294 125.345 119.070 -0.031 0.000 2.546 287 H HA 0.326 4.881 4.556 -0.002 0.000 0.365 287 H C -2.086 173.232 175.328 -0.016 0.000 1.220 287 H CA -0.972 55.061 56.048 -0.024 0.000 1.386 287 H CB 0.511 30.256 29.762 -0.027 0.000 1.510 287 H HN 0.350 nan 8.280 nan 0.000 0.591 288 P HA 0.039 nan 4.420 nan 0.000 0.268 288 P C 0.405 177.749 177.300 0.073 0.000 1.208 288 P CA 0.934 64.075 63.100 0.068 0.000 0.777 288 P CB 0.492 32.231 31.700 0.065 0.000 0.875 289 G N -0.074 108.772 108.800 0.077 0.000 2.149 289 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.235 289 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.235 289 G C -0.044 174.918 174.900 0.103 0.000 1.018 289 G CA -0.136 45.023 45.100 0.097 0.000 0.728 289 G HN 0.626 nan 8.290 nan 0.000 0.508 290 T N 0.386 115.001 114.554 0.101 0.000 2.807 290 T HA 0.625 4.974 4.350 -0.001 0.000 0.279 290 T C -0.274 174.502 174.700 0.127 0.000 0.993 290 T CA -0.319 61.832 62.100 0.085 0.000 0.970 290 T CB 1.679 70.573 68.868 0.044 0.000 0.950 290 T HN 0.305 nan 8.240 nan 0.000 0.441 291 Q N 2.360 122.226 119.800 0.111 0.000 2.333 291 Q HA 0.584 4.923 4.340 -0.001 0.000 0.268 291 Q C -0.962 175.070 176.000 0.053 0.000 1.007 291 Q CA -0.338 55.543 55.803 0.131 0.000 0.810 291 Q CB 1.777 30.586 28.738 0.119 0.000 1.264 291 Q HN 0.531 nan 8.270 nan 0.000 0.452 292 L N 4.287 125.540 121.223 0.050 0.000 2.276 292 L HA 0.575 4.914 4.340 -0.001 0.000 0.286 292 L C -0.786 176.099 176.870 0.026 0.000 1.024 292 L CA -0.382 54.463 54.840 0.008 0.000 0.826 292 L CB 0.361 42.403 42.059 -0.028 0.000 1.211 292 L HN 0.424 nan 8.230 nan 0.000 0.422 293 L N 1.900 123.129 121.223 0.010 0.000 2.301 293 L HA 0.854 5.193 4.340 -0.001 0.000 0.264 293 L C 0.972 177.846 176.870 0.006 0.000 1.016 293 L CA -0.638 54.213 54.840 0.019 0.000 0.821 293 L CB 1.717 43.782 42.059 0.009 0.000 1.346 293 L HN 0.741 nan 8.230 nan 0.000 0.429 294 G N 0.746 109.551 108.800 0.009 0.000 2.556 294 G HA2 -0.327 3.632 3.960 -0.001 0.000 0.283 294 G HA3 -0.327 3.632 3.960 -0.001 0.000 0.283 294 G C 0.332 175.231 174.900 -0.001 0.000 1.177 294 G CA 0.387 45.486 45.100 -0.001 0.000 0.978 294 G HN 0.712 nan 8.290 nan 0.000 0.554 295 R N 1.242 121.739 120.500 -0.005 0.000 2.893 295 R HA 0.333 4.672 4.340 -0.001 0.000 0.317 295 R C 0.326 176.621 176.300 -0.008 0.000 1.239 295 R CA 0.458 56.555 56.100 -0.004 0.000 1.128 295 R CB -0.686 29.610 30.300 -0.006 0.000 1.377 295 R HN 0.518 nan 8.270 nan 0.000 0.583 296 T N 1.439 115.987 114.554 -0.010 0.000 2.940 296 T HA 0.043 4.392 4.350 -0.001 0.000 0.309 296 T C -0.080 174.609 174.700 -0.018 0.000 1.056 296 T CA 0.563 62.651 62.100 -0.019 0.000 1.137 296 T CB 1.027 69.880 68.868 -0.024 0.000 0.976 296 T HN 0.315 nan 8.240 nan 0.000 0.547 297 Q N 2.174 121.960 119.800 -0.023 0.000 2.304 297 Q HA 0.488 4.827 4.340 -0.001 0.000 0.270 297 Q C -1.007 174.975 176.000 -0.030 0.000 1.035 297 Q CA -0.805 54.986 55.803 -0.021 0.000 0.781 297 Q CB 1.909 30.638 28.738 -0.014 0.000 1.261 297 Q HN 0.444 nan 8.270 nan 0.000 0.444 298 I N 1.495 122.044 120.570 -0.036 0.000 2.474 298 I HA 0.494 4.663 4.170 -0.001 0.000 0.294 298 I C 0.798 176.898 176.117 -0.029 0.000 1.005 298 I CA -0.345 60.931 61.300 -0.040 0.000 1.113 298 I CB 1.180 39.145 38.000 -0.059 0.000 1.289 298 I HN 0.717 nan 8.210 nan 0.000 0.436 299 G N 3.656 112.441 108.800 -0.025 0.000 2.504 299 G HA2 0.564 4.523 3.960 -0.001 0.000 0.257 299 G HA3 0.564 4.523 3.960 -0.001 0.000 0.257 299 G C 0.070 174.959 174.900 -0.018 0.000 1.451 299 G CA -0.391 44.698 45.100 -0.018 0.000 1.059 299 G HN 0.758 nan 8.290 nan 0.000 0.550 300 G N -2.730 106.062 108.800 -0.014 0.000 2.462 300 G HA2 0.482 4.441 3.960 -0.001 0.000 0.319 300 G HA3 0.482 4.441 3.960 -0.001 0.000 0.319 300 G C 0.407 175.298 174.900 -0.015 0.000 1.171 300 G CA -0.426 44.665 45.100 -0.014 0.000 0.920 300 G HN 0.701 nan 8.290 nan 0.000 0.499 301 R N -1.904 118.587 120.500 -0.015 0.000 3.994 301 R HA -0.193 4.146 4.340 -0.001 0.000 0.403 301 R C 0.385 176.677 176.300 -0.013 0.000 1.126 301 R CA 0.657 56.750 56.100 -0.013 0.000 1.143 301 R CB -2.509 27.785 30.300 -0.009 0.000 1.695 301 R HN 0.508 nan 8.270 nan 0.000 0.555 302 C N 0.345 119.634 119.300 -0.018 0.000 2.656 302 C HA 0.378 4.837 4.460 -0.001 0.000 0.391 302 C C 1.239 176.224 174.990 -0.009 0.000 1.300 302 C CA -0.596 58.412 59.018 -0.017 0.000 2.302 302 C CB 0.899 28.623 27.740 -0.025 0.000 2.655 302 C HN 0.151 nan 8.230 nan 0.000 0.656 303 V N 3.154 123.073 119.914 0.008 0.000 2.370 303 V HA 0.324 4.443 4.120 -0.001 0.000 0.283 303 V C -0.125 175.995 176.094 0.043 0.000 1.023 303 V CA -0.245 62.083 62.300 0.046 0.000 0.857 303 V CB 1.316 33.182 31.823 0.072 0.000 0.985 303 V HN 0.679 nan 8.190 nan 0.000 0.443 304 V N 5.173 125.117 119.914 0.049 0.000 2.311 304 V HA 0.580 4.699 4.120 -0.001 0.000 0.275 304 V C 0.971 177.131 176.094 0.112 0.000 1.022 304 V CA -0.115 62.206 62.300 0.035 0.000 0.830 304 V CB 0.856 32.672 31.823 -0.012 0.000 1.012 304 V HN 0.928 nan 8.190 nan 0.000 0.452 305 G N 6.228 115.073 108.800 0.074 0.000 2.508 305 G HA2 0.483 4.442 3.960 -0.001 0.000 0.278 305 G HA3 0.483 4.442 3.960 -0.001 0.000 0.278 305 G C -2.595 172.344 174.900 0.064 0.000 1.389 305 G CA -1.139 44.000 45.100 0.065 0.000 1.050 305 G HN 0.553 nan 8.290 nan 0.000 0.522 306 P HA 0.239 nan 4.420 nan 0.000 0.284 306 P C -1.111 176.183 177.300 -0.009 0.000 1.253 306 P CA -0.028 63.083 63.100 0.018 0.000 0.800 306 P CB 1.167 32.854 31.700 -0.022 0.000 0.961 307 D N -0.928 119.489 120.400 0.029 0.000 2.873 307 D HA -0.093 4.546 4.640 -0.001 0.000 0.228 307 D C -0.575 175.748 176.300 0.039 0.000 1.122 307 D CA 1.061 55.084 54.000 0.038 0.000 0.758 307 D CB -2.218 38.594 40.800 0.021 0.000 1.094 307 D HN 0.326 nan 8.370 nan 0.000 0.434 308 T N 0.960 115.534 114.554 0.034 0.000 2.767 308 T HA 0.466 4.815 4.350 -0.001 0.000 0.284 308 T C 0.324 175.035 174.700 0.019 0.000 0.973 308 T CA -0.048 62.067 62.100 0.024 0.000 0.996 308 T CB 1.526 70.396 68.868 0.003 0.000 0.927 308 T HN -0.077 nan 8.240 nan 0.000 0.456 309 T N 5.112 119.652 114.554 -0.023 0.000 2.791 309 T HA 0.579 4.928 4.350 -0.001 0.000 0.288 309 T C -0.504 174.080 174.700 -0.194 0.000 0.999 309 T CA -0.577 61.444 62.100 -0.131 0.000 0.952 309 T CB 0.319 69.025 68.868 -0.269 0.000 0.938 309 T HN 0.336 nan 8.240 nan 0.000 0.444 310 L N 3.042 124.199 121.223 -0.110 0.000 2.381 310 L HA 0.573 4.912 4.340 -0.001 0.000 0.274 310 L C -0.099 176.731 176.870 -0.065 0.000 0.988 310 L CA -0.843 53.944 54.840 -0.088 0.000 0.824 310 L CB 2.060 44.085 42.059 -0.055 0.000 1.263 310 L HN 0.518 nan 8.230 nan 0.000 0.410 311 T N 1.129 115.646 114.554 -0.062 0.000 2.809 311 T HA 0.259 4.608 4.350 -0.001 0.000 0.296 311 T C -0.708 173.975 174.700 -0.029 0.000 1.015 311 T CA -0.427 61.651 62.100 -0.037 0.000 0.954 311 T CB 0.633 69.483 68.868 -0.031 0.000 0.950 311 T HN 0.620 nan 8.240 nan 0.000 0.450 312 D N 1.461 121.847 120.400 -0.023 0.000 2.746 312 D HA -0.122 4.517 4.640 -0.001 0.000 0.241 312 D C -0.468 175.815 176.300 -0.028 0.000 1.140 312 D CA 0.563 54.550 54.000 -0.022 0.000 0.707 312 D CB -1.213 39.576 40.800 -0.018 0.000 1.034 312 D HN 0.333 nan 8.370 nan 0.000 0.423 313 V N -0.153 119.742 119.914 -0.031 0.000 2.540 313 V HA 0.754 4.873 4.120 -0.001 0.000 0.302 313 V C 0.431 176.505 176.094 -0.034 0.000 1.035 313 V CA -0.792 61.487 62.300 -0.036 0.000 0.873 313 V CB 2.147 33.946 31.823 -0.041 0.000 0.992 313 V HN 0.398 nan 8.190 nan 0.000 0.428 314 A N 4.691 127.490 122.820 -0.035 0.000 2.260 314 A HA 0.835 5.154 4.320 -0.001 0.000 0.314 314 A C -0.717 176.844 177.584 -0.037 0.000 1.257 314 A CA -0.458 51.559 52.037 -0.033 0.000 0.871 314 A CB 1.012 19.993 19.000 -0.031 0.000 1.166 314 A HN 0.733 nan 8.150 nan 0.000 0.522 315 V N 2.926 122.819 119.914 -0.035 0.000 2.531 315 V HA 0.634 4.753 4.120 -0.001 0.000 0.301 315 V C 0.974 177.048 176.094 -0.033 0.000 1.034 315 V CA -0.114 62.164 62.300 -0.037 0.000 0.865 315 V CB 1.424 33.224 31.823 -0.037 0.000 0.995 315 V HN 1.126 nan 8.190 nan 0.000 0.424 316 G N 2.406 111.187 108.800 -0.033 0.000 2.494 316 G HA2 0.303 4.262 3.960 -0.001 0.000 0.270 316 G HA3 0.303 4.262 3.960 -0.001 0.000 0.270 316 G C -0.478 174.407 174.900 -0.025 0.000 1.423 316 G CA -0.510 44.573 45.100 -0.028 0.000 1.055 316 G HN 0.630 nan 8.290 nan 0.000 0.536 317 D N -0.362 120.026 120.400 -0.021 0.000 2.389 317 D HA 0.381 5.020 4.640 -0.001 0.000 0.247 317 D C 1.261 177.551 176.300 -0.018 0.000 1.128 317 D CA 1.306 55.295 54.000 -0.018 0.000 0.884 317 D CB 1.015 41.807 40.800 -0.014 0.000 1.194 317 D HN 0.852 nan 8.370 nan 0.000 0.441 318 G N 0.831 109.621 108.800 -0.016 0.000 2.153 318 G HA2 -0.136 3.823 3.960 -0.001 0.000 0.252 318 G HA3 -0.136 3.823 3.960 -0.001 0.000 0.252 318 G C 0.397 175.286 174.900 -0.018 0.000 0.994 318 G CA 0.360 45.452 45.100 -0.014 0.000 0.698 318 G HN 0.802 nan 8.290 nan 0.000 0.521 319 A N -0.631 122.176 122.820 -0.022 0.000 2.279 319 A HA 0.862 5.181 4.320 -0.001 0.000 0.303 319 A C 0.515 178.085 177.584 -0.024 0.000 1.108 319 A CA 0.598 52.618 52.037 -0.028 0.000 0.830 319 A CB 1.459 20.438 19.000 -0.034 0.000 1.106 319 A HN 1.374 nan 8.150 nan 0.000 0.493 320 S N 0.092 115.775 115.700 -0.029 0.000 2.449 320 S HA 0.565 5.034 4.470 -0.001 0.000 0.310 320 S C -1.074 173.505 174.600 -0.036 0.000 1.096 320 S CA -0.447 57.737 58.200 -0.027 0.000 1.095 320 S CB 0.591 63.772 63.200 -0.031 0.000 1.007 320 S HN 0.863 nan 8.310 nan 0.000 0.474 321 V N 6.029 125.925 119.914 -0.030 0.000 2.380 321 V HA 0.399 4.519 4.120 -0.001 0.000 0.268 321 V C -0.640 175.430 176.094 -0.039 0.000 1.008 321 V CA -0.676 61.602 62.300 -0.037 0.000 0.823 321 V CB 1.107 32.911 31.823 -0.031 0.000 1.053 321 V HN 0.661 nan 8.190 nan 0.000 0.446 322 V N 4.092 123.965 119.914 -0.068 0.000 2.435 322 V HA 0.514 4.633 4.120 -0.001 0.000 0.290 322 V C 0.864 176.873 176.094 -0.143 0.000 1.030 322 V CA -0.942 61.297 62.300 -0.101 0.000 0.881 322 V CB 1.467 33.212 31.823 -0.131 0.000 0.983 322 V HN 0.909 nan 8.190 nan 0.000 0.445 323 R N 2.117 122.532 120.500 -0.143 0.000 3.038 323 R HA -0.155 4.184 4.340 -0.001 0.000 0.242 323 R C -0.190 176.062 176.300 -0.080 0.000 0.866 323 R CA 0.587 56.590 56.100 -0.162 0.000 0.601 323 R CB -1.148 28.906 30.300 -0.410 0.000 1.107 323 R HN 0.790 nan 8.270 nan 0.000 0.492 324 T N -0.060 114.493 114.554 -0.001 0.000 2.841 324 T HA 0.264 4.613 4.350 -0.001 0.000 0.283 324 T C -0.756 174.024 174.700 0.133 0.000 1.000 324 T CA -0.683 61.455 62.100 0.064 0.000 0.977 324 T CB 1.708 70.590 68.868 0.024 0.000 0.979 324 T HN 0.306 nan 8.240 nan 0.000 0.446 325 H N 0.686 119.828 119.070 0.119 0.000 2.541 325 H HA 0.632 5.187 4.556 -0.001 0.000 0.316 325 H C 0.094 175.548 175.328 0.210 0.000 1.043 325 H CA 0.209 56.349 56.048 0.153 0.000 1.232 325 H CB 0.560 30.415 29.762 0.156 0.000 1.406 325 H HN 0.875 nan 8.280 nan 0.000 0.469 326 G N 2.156 110.949 108.800 -0.011 0.000 2.718 326 G HA2 0.504 4.463 3.960 -0.001 0.000 0.295 326 G HA3 0.504 4.463 3.960 -0.001 0.000 0.295 326 G C -1.555 173.325 174.900 -0.034 0.000 1.421 326 G CA -0.454 44.659 45.100 0.022 0.000 0.902 326 G HN 0.744 nan 8.290 nan 0.000 0.501 327 S N -1.062 114.623 115.700 -0.025 0.000 2.570 327 S HA 0.675 5.145 4.470 -0.001 0.000 0.270 327 S C 0.103 174.680 174.600 -0.038 0.000 1.149 327 S CA 0.043 58.225 58.200 -0.029 0.000 0.837 327 S CB 1.468 64.665 63.200 -0.005 0.000 1.124 327 S HN 1.852 nan 8.310 nan 0.000 0.465 328 S N 0.718 116.399 115.700 -0.033 0.000 3.336 328 S HA -0.057 4.412 4.470 -0.001 0.000 0.362 328 S C -0.025 174.547 174.600 -0.047 0.000 0.941 328 S CA 0.961 59.140 58.200 -0.035 0.000 1.297 328 S CB -1.998 61.185 63.200 -0.028 0.000 0.915 328 S HN 1.049 nan 8.310 nan 0.000 0.527 329 S N 0.239 115.909 115.700 -0.050 0.000 2.596 329 S HA 0.787 5.256 4.470 -0.001 0.000 0.270 329 S C -0.463 174.103 174.600 -0.056 0.000 1.155 329 S CA -0.465 57.699 58.200 -0.061 0.000 0.827 329 S CB 2.315 65.473 63.200 -0.071 0.000 1.130 329 S HN 0.787 nan 8.310 nan 0.000 0.467 330 S N 0.665 116.327 115.700 -0.062 0.000 2.526 330 S HA 0.831 5.300 4.470 -0.001 0.000 0.293 330 S C -1.097 173.464 174.600 -0.065 0.000 1.092 330 S CA -0.753 57.412 58.200 -0.058 0.000 0.980 330 S CB 0.781 63.949 63.200 -0.053 0.000 1.048 330 S HN 0.597 nan 8.310 nan 0.000 0.483 331 I N 2.283 122.818 120.570 -0.059 0.000 2.439 331 I HA 0.471 4.640 4.170 -0.001 0.000 0.285 331 I C 0.907 176.989 176.117 -0.058 0.000 1.021 331 I CA -0.803 60.459 61.300 -0.062 0.000 1.091 331 I CB 1.618 39.584 38.000 -0.056 0.000 1.242 331 I HN 0.931 nan 8.210 nan 0.000 0.439 332 G N 3.842 112.603 108.800 -0.065 0.000 2.684 332 G HA2 0.129 4.088 3.960 -0.001 0.000 0.255 332 G HA3 0.129 4.088 3.960 -0.001 0.000 0.255 332 G C -0.304 174.566 174.900 -0.050 0.000 1.219 332 G CA -0.408 44.657 45.100 -0.058 0.000 0.901 332 G HN 0.550 nan 8.290 nan 0.000 0.548 333 D N -0.463 119.912 120.400 -0.041 0.000 2.506 333 D HA 0.300 4.939 4.640 -0.001 0.000 0.234 333 D C 1.575 177.855 176.300 -0.034 0.000 1.143 333 D CA 1.515 55.495 54.000 -0.032 0.000 0.871 333 D CB 0.585 41.371 40.800 -0.024 0.000 1.190 333 D HN 0.835 nan 8.370 nan 0.000 0.459 334 G N 1.016 109.799 108.800 -0.028 0.000 2.216 334 G HA2 -0.269 3.691 3.960 -0.001 0.000 0.269 334 G HA3 -0.269 3.691 3.960 -0.001 0.000 0.269 334 G C 0.623 175.502 174.900 -0.036 0.000 0.981 334 G CA 0.725 45.810 45.100 -0.026 0.000 0.658 334 G HN 0.886 nan 8.290 nan 0.000 0.539 335 A N -0.348 122.443 122.820 -0.047 0.000 2.466 335 A HA 0.707 5.026 4.320 -0.001 0.000 0.238 335 A C 0.768 178.320 177.584 -0.053 0.000 1.074 335 A CA 1.053 53.055 52.037 -0.059 0.000 0.774 335 A CB 0.537 19.496 19.000 -0.069 0.000 1.015 335 A HN 2.076 nan 8.150 nan 0.000 0.498 336 A N 1.406 124.190 122.820 -0.059 0.000 2.318 336 A HA 0.632 4.951 4.320 -0.001 0.000 0.317 336 A C -0.679 176.864 177.584 -0.068 0.000 1.159 336 A CA -0.433 51.569 52.037 -0.059 0.000 0.799 336 A CB 0.960 19.926 19.000 -0.056 0.000 1.194 336 A HN 1.146 nan 8.150 nan 0.000 0.479 337 V N 1.732 121.607 119.914 -0.065 0.000 2.709 337 V HA 0.865 4.984 4.120 -0.001 0.000 0.308 337 V C 0.610 176.658 176.094 -0.076 0.000 1.062 337 V CA 0.497 62.758 62.300 -0.066 0.000 0.901 337 V CB 1.118 32.909 31.823 -0.054 0.000 1.003 337 V HN 2.252 nan 8.190 nan 0.000 0.425 338 G N 5.358 114.107 108.800 -0.085 0.000 2.712 338 G HA2 -0.022 3.937 3.960 -0.001 0.000 0.683 338 G HA3 -0.022 3.937 3.960 -0.001 0.000 0.683 338 G C -3.137 171.669 174.900 -0.157 0.000 1.320 338 G CA -0.410 44.614 45.100 -0.127 0.000 0.847 338 G HN 0.729 nan 8.290 nan 0.000 0.553 339 P HA 0.662 nan 4.420 nan 0.000 0.282 339 P C -0.162 176.942 177.300 -0.327 0.000 1.259 339 P CA -0.282 62.584 63.100 -0.388 0.000 0.826 339 P CB 0.403 31.740 31.700 -0.605 0.000 1.064 340 F N -2.500 117.383 119.950 -0.111 0.000 2.860 340 F HA -0.143 4.383 4.527 -0.002 0.000 0.355 340 F C -0.125 175.652 175.800 -0.039 0.000 1.024 340 F CA 0.551 58.508 58.000 -0.072 0.000 1.160 340 F CB -2.840 36.035 39.000 -0.208 0.000 1.422 340 F HN 0.154 nan 8.300 nan 0.000 0.766 341 T N -0.123 114.511 114.554 0.134 0.000 2.863 341 T HA 0.571 4.920 4.350 -0.001 0.000 0.285 341 T C -1.308 173.545 174.700 0.256 0.000 1.009 341 T CA -0.725 61.466 62.100 0.151 0.000 0.989 341 T CB 2.357 71.257 68.868 0.053 0.000 1.004 341 T HN 0.132 nan 8.240 nan 0.000 0.455 342 Y N 3.372 123.739 120.300 0.111 0.000 2.338 342 Y HA 0.584 5.133 4.550 -0.000 0.000 0.328 342 Y C -1.477 174.477 175.900 0.090 0.000 0.965 342 Y CA -1.984 56.193 58.100 0.129 0.000 1.208 342 Y CB 0.438 38.985 38.460 0.145 0.000 1.132 342 Y HN 0.507 nan 8.280 nan 0.000 0.469 343 L N 7.351 128.556 121.223 -0.030 0.000 2.287 343 L HA 0.612 4.951 4.340 -0.001 0.000 0.287 343 L C 0.102 176.770 176.870 -0.336 0.000 1.022 343 L CA -0.759 53.967 54.840 -0.190 0.000 0.814 343 L CB 1.438 43.445 42.059 -0.086 0.000 1.217 343 L HN 0.545 nan 8.230 nan 0.000 0.420 344 R N 2.825 123.086 120.500 -0.398 0.000 2.549 344 R HA 0.435 4.775 4.340 -0.001 0.000 0.267 344 R C -2.353 173.861 176.300 -0.145 0.000 1.045 344 R CA -1.727 54.202 56.100 -0.284 0.000 1.115 344 R CB 0.659 30.793 30.300 -0.277 0.000 1.121 344 R HN 0.296 nan 8.270 nan 0.000 0.543 345 P HA -0.103 nan 4.420 nan 0.000 0.264 345 P C 0.291 177.549 177.300 -0.070 0.000 1.173 345 P CA 1.358 64.421 63.100 -0.061 0.000 0.761 345 P CB 0.429 32.108 31.700 -0.034 0.000 0.794 346 G N 1.075 109.834 108.800 -0.067 0.000 2.176 346 G HA2 -0.224 3.736 3.960 -0.001 0.000 0.253 346 G HA3 -0.224 3.736 3.960 -0.001 0.000 0.253 346 G C 0.253 175.098 174.900 -0.092 0.000 0.979 346 G CA 0.019 45.077 45.100 -0.070 0.000 0.641 346 G HN 0.600 nan 8.290 nan 0.000 0.530 347 T N 1.523 116.014 114.554 -0.105 0.000 2.784 347 T HA 0.514 4.863 4.350 -0.001 0.000 0.291 347 T C 0.483 175.119 174.700 -0.106 0.000 0.942 347 T CA 0.971 62.998 62.100 -0.122 0.000 1.161 347 T CB 1.230 70.019 68.868 -0.131 0.000 0.885 347 T HN 1.430 nan 8.240 nan 0.000 0.534 348 A N 4.384 127.135 122.820 -0.114 0.000 2.310 348 A HA 0.668 4.987 4.320 -0.001 0.000 0.304 348 A C -0.660 176.854 177.584 -0.117 0.000 1.231 348 A CA -0.749 51.227 52.037 -0.103 0.000 0.799 348 A CB 0.607 19.552 19.000 -0.092 0.000 1.162 348 A HN 0.725 nan 8.150 nan 0.000 0.486 349 L N 3.226 124.383 121.223 -0.110 0.000 2.296 349 L HA 0.778 5.117 4.340 -0.001 0.000 0.286 349 L C 0.651 177.453 176.870 -0.113 0.000 1.023 349 L CA 0.146 54.914 54.840 -0.120 0.000 0.812 349 L CB 1.486 43.476 42.059 -0.115 0.000 1.223 349 L HN 0.711 nan 8.230 nan 0.000 0.421 350 G N 3.208 111.930 108.800 -0.131 0.000 2.616 350 G HA2 0.495 4.454 3.960 -0.001 0.000 0.268 350 G HA3 0.495 4.454 3.960 -0.001 0.000 0.268 350 G C -0.349 174.479 174.900 -0.120 0.000 1.213 350 G CA -0.312 44.714 45.100 -0.125 0.000 0.926 350 G HN 1.114 nan 8.290 nan 0.000 0.523 351 A N 0.085 122.844 122.820 -0.102 0.000 2.587 351 A HA 0.334 4.653 4.320 -0.001 0.000 0.233 351 A C 0.870 178.387 177.584 -0.111 0.000 1.049 351 A CA 0.884 52.869 52.037 -0.086 0.000 0.754 351 A CB -0.107 18.857 19.000 -0.059 0.000 0.977 351 A HN 0.960 nan 8.150 nan 0.000 0.509 352 D N -0.066 120.285 120.400 -0.081 0.000 2.955 352 D HA -0.166 4.473 4.640 -0.001 0.000 0.226 352 D C 0.631 176.864 176.300 -0.112 0.000 1.178 352 D CA 1.783 55.738 54.000 -0.075 0.000 0.808 352 D CB -1.845 38.932 40.800 -0.039 0.000 1.099 352 D HN 1.056 nan 8.370 nan 0.000 0.421 353 G N 0.005 108.728 108.800 -0.130 0.000 2.599 353 G HA2 0.414 4.373 3.960 -0.001 0.000 0.264 353 G HA3 0.414 4.373 3.960 -0.001 0.000 0.264 353 G C -0.148 174.687 174.900 -0.108 0.000 1.200 353 G CA -0.404 44.611 45.100 -0.140 0.000 0.896 353 G HN 0.166 nan 8.290 nan 0.000 0.536 354 K N 0.116 120.450 120.400 -0.110 0.000 2.535 354 K HA 0.488 4.807 4.320 -0.001 0.000 0.250 354 K C -1.372 175.165 176.600 -0.104 0.000 0.948 354 K CA -0.631 55.597 56.287 -0.098 0.000 0.796 354 K CB 1.332 33.776 32.500 -0.092 0.000 1.216 354 K HN 0.329 nan 8.250 nan 0.000 0.432 355 L N 3.935 125.100 121.223 -0.097 0.000 2.316 355 L HA 0.493 4.832 4.340 -0.001 0.000 0.280 355 L C 0.646 177.460 176.870 -0.093 0.000 1.006 355 L CA -0.777 54.009 54.840 -0.089 0.000 0.836 355 L CB 1.762 43.776 42.059 -0.074 0.000 1.221 355 L HN 0.837 nan 8.230 nan 0.000 0.418 356 G N 1.687 110.416 108.800 -0.119 0.000 2.531 356 G HA2 0.601 4.560 3.960 -0.001 0.000 0.253 356 G HA3 0.601 4.560 3.960 -0.001 0.000 0.253 356 G C -0.216 174.606 174.900 -0.129 0.000 1.439 356 G CA -0.353 44.658 45.100 -0.149 0.000 1.056 356 G HN 0.679 nan 8.290 nan 0.000 0.555 357 A N -1.543 121.162 122.820 -0.192 0.000 2.488 357 A HA 0.515 4.834 4.320 -0.001 0.000 0.249 357 A C -0.187 177.146 177.584 -0.418 0.000 1.083 357 A CA -0.056 51.709 52.037 -0.455 0.000 0.768 357 A CB -0.805 17.806 19.000 -0.647 0.000 1.017 357 A HN 1.297 nan 8.150 nan 0.000 0.496 358 F N -0.537 119.539 119.950 0.209 0.000 3.043 358 F HA -0.157 4.369 4.527 -0.001 0.000 0.290 358 F C 0.032 175.926 175.800 0.156 0.000 0.844 358 F CA 0.211 58.306 58.000 0.158 0.000 1.184 358 F CB -2.532 36.530 39.000 0.102 0.000 1.246 358 F HN 0.278 nan 8.300 nan 0.000 0.536 359 V N 0.395 120.439 119.914 0.217 0.000 2.435 359 V HA 0.470 4.589 4.120 -0.001 0.000 0.290 359 V C 0.271 176.487 176.094 0.202 0.000 1.030 359 V CA -0.916 61.491 62.300 0.178 0.000 0.881 359 V CB 2.095 33.964 31.823 0.077 0.000 0.983 359 V HN 0.285 nan 8.190 nan 0.000 0.445 360 E N 3.475 123.814 120.200 0.232 0.000 2.171 360 E HA 0.677 5.026 4.350 -0.001 0.000 0.271 360 E C -1.751 174.848 176.600 -0.002 0.000 0.916 360 E CA -0.453 56.081 56.400 0.224 0.000 0.774 360 E CB 2.076 32.052 29.700 0.460 0.000 1.128 360 E HN 0.467 nan 8.360 nan 0.000 0.403 361 V N 4.710 124.554 119.914 -0.117 0.000 2.656 361 V HA 0.448 4.567 4.120 -0.001 0.000 0.307 361 V C -0.445 175.508 176.094 -0.236 0.000 1.051 361 V CA -0.825 61.329 62.300 -0.244 0.000 0.893 361 V CB 1.912 33.607 31.823 -0.213 0.000 0.999 361 V HN 0.563 nan 8.190 nan 0.000 0.426 362 K N 3.826 124.071 120.400 -0.258 0.000 2.443 362 K HA 0.345 4.664 4.320 -0.001 0.000 0.252 362 K C 0.021 176.534 176.600 -0.144 0.000 0.933 362 K CA -0.698 55.499 56.287 -0.151 0.000 0.792 362 K CB 1.364 33.859 32.500 -0.009 0.000 1.185 362 K HN 0.667 nan 8.250 nan 0.000 0.425 363 N N 1.715 120.348 118.700 -0.111 0.000 2.698 363 N HA -0.179 4.560 4.740 -0.001 0.000 0.258 363 N C -1.779 173.653 175.510 -0.129 0.000 0.978 363 N CA 1.058 54.051 53.050 -0.096 0.000 0.777 363 N CB -0.710 37.743 38.487 -0.057 0.000 0.907 363 N HN 0.516 nan 8.380 nan 0.000 0.543 364 S N -0.402 115.197 115.700 -0.168 0.000 2.548 364 S HA 0.545 5.014 4.470 -0.001 0.000 0.286 364 S C -0.362 174.126 174.600 -0.186 0.000 1.098 364 S CA -0.708 57.366 58.200 -0.210 0.000 0.930 364 S CB 2.021 65.036 63.200 -0.308 0.000 1.070 364 S HN 0.187 nan 8.310 nan 0.000 0.480 365 T N 2.684 117.128 114.554 -0.183 0.000 2.767 365 T HA 0.611 4.960 4.350 -0.001 0.000 0.284 365 T C -0.520 174.068 174.700 -0.186 0.000 0.973 365 T CA -0.246 61.758 62.100 -0.160 0.000 0.996 365 T CB 0.059 68.853 68.868 -0.123 0.000 0.927 365 T HN 0.416 nan 8.240 nan 0.000 0.456 366 I N 2.586 123.051 120.570 -0.175 0.000 2.468 366 I HA 0.448 4.617 4.170 -0.001 0.000 0.285 366 I C 0.880 176.893 176.117 -0.173 0.000 1.039 366 I CA -0.922 60.266 61.300 -0.188 0.000 1.074 366 I CB 1.862 39.741 38.000 -0.201 0.000 1.228 366 I HN 0.689 nan 8.210 nan 0.000 0.436 367 G N 3.429 112.120 108.800 -0.182 0.000 2.616 367 G HA2 0.311 4.270 3.960 -0.001 0.000 0.268 367 G HA3 0.311 4.270 3.960 -0.001 0.000 0.268 367 G C -0.103 174.644 174.900 -0.255 0.000 1.213 367 G CA -0.264 44.723 45.100 -0.187 0.000 0.926 367 G HN 0.485 nan 8.290 nan 0.000 0.523 368 T N 0.164 114.552 114.554 -0.276 0.000 2.871 368 T HA 0.361 4.710 4.350 -0.001 0.000 0.296 368 T C 1.552 175.814 174.700 -0.730 0.000 0.998 368 T CA 1.532 63.411 62.100 -0.369 0.000 1.162 368 T CB 0.547 69.254 68.868 -0.267 0.000 0.947 368 T HN 1.789 nan 8.240 nan 0.000 0.536 369 G N 3.317 111.770 108.800 -0.578 0.000 2.168 369 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.263 369 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.263 369 G C 0.388 175.024 174.900 -0.440 0.000 0.977 369 G CA 0.295 45.019 45.100 -0.627 0.000 0.659 369 G HN 0.820 nan 8.290 nan 0.000 0.533 370 T N 0.521 114.856 114.554 -0.365 0.000 2.913 370 T HA 0.523 4.872 4.350 -0.001 0.000 0.297 370 T C 0.285 174.891 174.700 -0.156 0.000 1.029 370 T CA 0.314 62.280 62.100 -0.224 0.000 1.104 370 T CB 1.192 69.932 68.868 -0.214 0.000 0.964 370 T HN 0.308 nan 8.240 nan 0.000 0.532 371 K N 1.798 122.131 120.400 -0.112 0.000 2.471 371 K HA 0.557 4.876 4.320 -0.001 0.000 0.252 371 K C -1.400 175.155 176.600 -0.074 0.000 0.938 371 K CA -0.608 55.626 56.287 -0.090 0.000 0.796 371 K CB 1.835 34.297 32.500 -0.063 0.000 1.161 371 K HN 0.281 nan 8.250 nan 0.000 0.425 372 V N 5.166 125.029 119.914 -0.085 0.000 2.383 372 V HA 0.187 4.306 4.120 -0.001 0.000 0.261 372 V C -1.860 174.175 176.094 -0.099 0.000 0.987 372 V CA -1.028 61.239 62.300 -0.056 0.000 0.853 372 V CB 0.908 32.701 31.823 -0.051 0.000 1.095 372 V HN 0.715 nan 8.190 nan 0.000 0.461 373 P HA 0.067 nan 4.420 nan 0.000 0.235 373 P C 0.100 177.047 177.300 -0.588 0.000 1.177 373 P CA 0.895 63.729 63.100 -0.442 0.000 0.785 373 P CB 0.554 31.893 31.700 -0.601 0.000 0.885 374 H N -0.164 118.949 119.070 0.072 0.000 2.877 374 H HA 0.267 4.822 4.556 -0.001 0.000 0.347 374 H C 0.511 175.932 175.328 0.155 0.000 1.042 374 H CA -0.964 55.151 56.048 0.112 0.000 1.276 374 H CB 1.556 31.384 29.762 0.109 0.000 1.681 374 H HN -0.189 nan 8.280 nan 0.000 0.521 375 L N 1.582 123.005 121.223 0.333 0.000 3.678 375 L HA -0.237 4.102 4.340 -0.001 0.000 0.425 375 L C 0.043 177.059 176.870 0.243 0.000 1.240 375 L CA 1.237 56.261 54.840 0.305 0.000 0.876 375 L CB -1.578 40.635 42.059 0.256 0.000 1.766 375 L HN 0.788 nan 8.230 nan 0.000 0.917 376 T N -3.719 110.980 114.554 0.240 0.000 2.893 376 T HA 0.562 4.911 4.350 -0.001 0.000 0.291 376 T C -0.831 174.041 174.700 0.286 0.000 1.028 376 T CA -0.782 61.468 62.100 0.250 0.000 0.995 376 T CB 2.179 71.194 68.868 0.245 0.000 1.051 376 T HN 0.130 nan 8.240 nan 0.000 0.470 377 Y N 2.584 123.005 120.300 0.202 0.000 2.335 377 Y HA 0.603 5.152 4.550 -0.001 0.000 0.339 377 Y C -1.196 174.856 175.900 0.253 0.000 0.987 377 Y CA -1.045 57.167 58.100 0.187 0.000 1.140 377 Y CB 1.072 39.629 38.460 0.162 0.000 1.173 377 Y HN 0.636 nan 8.280 nan 0.000 0.486 378 V N 6.582 126.122 119.914 -0.623 0.000 2.350 378 V HA 0.683 4.802 4.120 -0.001 0.000 0.285 378 V C 0.219 175.744 176.094 -0.947 0.000 1.014 378 V CA -0.385 61.520 62.300 -0.659 0.000 0.831 378 V CB 0.962 32.420 31.823 -0.609 0.000 1.000 378 V HN 0.999 nan 8.190 nan 0.000 0.433 379 G N 1.781 110.136 108.800 -0.743 0.000 2.542 379 G HA2 0.595 4.554 3.960 -0.001 0.000 0.311 379 G HA3 0.595 4.554 3.960 -0.001 0.000 0.311 379 G C -0.515 174.313 174.900 -0.120 0.000 1.298 379 G CA -0.533 44.357 45.100 -0.351 0.000 0.973 379 G HN 0.639 nan 8.290 nan 0.000 0.487 380 D N -1.061 119.279 120.400 -0.100 0.000 2.692 380 D HA -0.130 4.509 4.640 -0.001 0.000 0.233 380 D C 0.583 176.833 176.300 -0.083 0.000 1.172 380 D CA 1.589 55.553 54.000 -0.060 0.000 0.636 380 D CB -1.057 39.749 40.800 0.010 0.000 1.028 380 D HN 0.899 nan 8.370 nan 0.000 0.419 381 A N 0.330 123.036 122.820 -0.190 0.000 2.413 381 A HA 0.649 4.968 4.320 -0.001 0.000 0.307 381 A C -0.668 176.766 177.584 -0.250 0.000 1.087 381 A CA -0.755 51.139 52.037 -0.238 0.000 0.750 381 A CB 1.999 20.667 19.000 -0.553 0.000 1.296 381 A HN -0.006 nan 8.150 nan 0.000 0.423 382 D N 0.943 121.225 120.400 -0.197 0.000 2.498 382 D HA 0.602 5.241 4.640 -0.001 0.000 0.247 382 D C -1.077 175.115 176.300 -0.180 0.000 1.070 382 D CA 0.145 54.038 54.000 -0.177 0.000 0.842 382 D CB 2.015 42.750 40.800 -0.109 0.000 1.361 382 D HN 0.428 nan 8.370 nan 0.000 0.484 383 I N 1.016 121.473 120.570 -0.190 0.000 2.569 383 I HA 0.326 4.496 4.170 -0.001 0.000 0.290 383 I C 1.024 177.059 176.117 -0.137 0.000 1.088 383 I CA -0.796 60.399 61.300 -0.175 0.000 1.047 383 I CB 2.247 40.103 38.000 -0.241 0.000 1.237 383 I HN 0.324 nan 8.210 nan 0.000 0.421 384 G N 4.730 113.471 108.800 -0.098 0.000 2.481 384 G HA2 0.288 4.247 3.960 -0.001 0.000 0.251 384 G HA3 0.288 4.247 3.960 -0.001 0.000 0.251 384 G C -0.281 174.538 174.900 -0.135 0.000 1.492 384 G CA -0.301 44.749 45.100 -0.084 0.000 1.060 384 G HN 0.674 nan 8.290 nan 0.000 0.553 385 E N -1.485 118.634 120.200 -0.136 0.000 2.212 385 E HA 0.379 4.728 4.350 -0.001 0.000 0.270 385 E C -0.937 175.488 176.600 -0.292 0.000 0.956 385 E CA -0.843 55.398 56.400 -0.264 0.000 0.825 385 E CB 1.421 31.013 29.700 -0.180 0.000 1.167 385 E HN 0.455 nan 8.360 nan 0.000 0.400 386 Y N -0.703 119.435 120.300 -0.269 0.000 4.236 386 Y HA -0.296 4.253 4.550 -0.002 0.000 0.220 386 Y C 0.361 176.092 175.900 -0.282 0.000 1.115 386 Y CA 0.337 58.238 58.100 -0.331 0.000 1.811 386 Y CB -1.990 36.148 38.460 -0.537 0.000 1.581 386 Y HN 0.268 nan 8.280 nan 0.000 0.643 387 S N -0.166 115.460 115.700 -0.123 0.000 2.645 387 S HA 0.456 4.925 4.470 -0.001 0.000 0.266 387 S C 0.191 174.763 174.600 -0.048 0.000 1.258 387 S CA -0.621 57.543 58.200 -0.059 0.000 0.990 387 S CB 1.455 64.620 63.200 -0.059 0.000 0.967 387 S HN 0.410 nan 8.310 nan 0.000 0.556 388 N N 0.516 119.199 118.700 -0.028 0.000 2.500 388 N HA 0.323 5.062 4.740 -0.001 0.000 0.291 388 N C -1.737 173.780 175.510 0.012 0.000 1.092 388 N CA -0.285 52.754 53.050 -0.018 0.000 0.890 388 N CB 0.518 38.992 38.487 -0.021 0.000 1.466 388 N HN 0.308 nan 8.380 nan 0.000 0.507 389 I N 2.479 123.074 120.570 0.040 0.000 2.312 389 I HA 0.374 4.543 4.170 -0.001 0.000 0.290 389 I C 1.426 177.616 176.117 0.122 0.000 1.008 389 I CA -0.559 60.812 61.300 0.118 0.000 1.226 389 I CB 0.368 38.466 38.000 0.163 0.000 1.371 389 I HN 0.581 nan 8.210 nan 0.000 0.468 390 G N 4.665 113.542 108.800 0.129 0.000 2.554 390 G HA2 0.333 4.292 3.960 -0.001 0.000 0.238 390 G HA3 0.333 4.292 3.960 -0.001 0.000 0.238 390 G C 0.431 175.423 174.900 0.153 0.000 1.259 390 G CA -0.237 44.933 45.100 0.117 0.000 0.843 390 G HN 0.845 nan 8.290 nan 0.000 0.582 391 A N 0.994 123.919 122.820 0.174 0.000 2.547 391 A HA 0.425 4.744 4.320 -0.001 0.000 0.233 391 A C 1.542 179.210 177.584 0.140 0.000 1.067 391 A CA 1.213 53.370 52.037 0.200 0.000 0.763 391 A CB -0.172 18.924 19.000 0.161 0.000 1.007 391 A HN 2.400 nan 8.150 nan 0.000 0.506 392 S N 0.138 115.930 115.700 0.154 0.000 3.706 392 S HA -0.136 4.333 4.470 -0.001 0.000 0.363 392 S C 0.280 174.938 174.600 0.097 0.000 0.999 392 S CA 0.704 58.972 58.200 0.114 0.000 1.143 392 S CB -1.757 61.483 63.200 0.067 0.000 0.902 392 S HN 1.447 nan 8.310 nan 0.000 0.476 393 S N 0.046 115.832 115.700 0.143 0.000 2.648 393 S HA 0.868 5.337 4.470 -0.001 0.000 0.305 393 S C -0.390 174.338 174.600 0.212 0.000 1.094 393 S CA -0.488 57.794 58.200 0.136 0.000 0.983 393 S CB 2.172 65.502 63.200 0.217 0.000 1.101 393 S HN 0.594 nan 8.310 nan 0.000 0.514 394 V N 1.871 121.890 119.914 0.177 0.000 2.711 394 V HA 0.394 4.513 4.120 -0.001 0.000 0.304 394 V C -1.574 174.680 176.094 0.267 0.000 1.097 394 V CA -0.639 61.839 62.300 0.296 0.000 0.906 394 V CB 1.394 33.353 31.823 0.226 0.000 1.015 394 V HN 0.849 nan 8.190 nan 0.000 0.427 395 F N 3.476 123.626 119.950 0.334 0.000 2.405 395 F HA 0.388 4.914 4.527 -0.001 0.000 0.358 395 F C 0.454 176.424 175.800 0.284 0.000 1.151 395 F CA -0.444 57.717 58.000 0.267 0.000 1.161 395 F CB 1.183 40.195 39.000 0.021 0.000 1.245 395 F HN 0.229 nan 8.300 nan 0.000 0.545 396 V N 5.302 125.406 119.914 0.318 0.000 2.353 396 V HA 0.164 4.283 4.120 -0.001 0.000 0.264 396 V C 0.189 176.409 176.094 0.211 0.000 1.049 396 V CA -0.817 61.628 62.300 0.242 0.000 0.896 396 V CB -0.084 31.820 31.823 0.135 0.000 1.025 396 V HN 0.626 nan 8.190 nan 0.000 0.475 406 T N 2.380 116.970 114.554 0.059 0.000 2.933 406 T HA 0.053 4.402 4.350 -0.001 0.000 0.306 406 T C 0.257 174.970 174.700 0.021 0.000 1.045 406 T CA 0.849 62.997 62.100 0.080 0.000 1.143 406 T CB 0.528 69.511 68.868 0.192 0.000 1.003 406 T HN 0.313 nan 8.240 nan 0.000 0.540 407 T N 3.470 118.040 114.554 0.027 0.000 2.840 407 T HA 0.537 4.886 4.350 -0.001 0.000 0.287 407 T C -0.530 174.173 174.700 0.005 0.000 0.991 407 T CA -0.589 61.509 62.100 -0.004 0.000 0.964 407 T CB 1.167 70.038 68.868 0.004 0.000 0.954 407 T HN 0.346 nan 8.240 nan 0.000 0.438 408 V N 2.449 122.347 119.914 -0.027 0.000 2.604 408 V HA 0.792 4.911 4.120 -0.001 0.000 0.305 408 V C 0.876 176.962 176.094 -0.012 0.000 1.043 408 V CA -0.745 61.545 62.300 -0.017 0.000 0.888 408 V CB 1.920 33.714 31.823 -0.048 0.000 0.995 408 V HN 0.991 nan 8.190 nan 0.000 0.429 409 G N 2.429 111.243 108.800 0.023 0.000 2.509 409 G HA2 0.466 4.425 3.960 -0.001 0.000 0.269 409 G HA3 0.466 4.425 3.960 -0.001 0.000 0.269 409 G C -0.167 174.756 174.900 0.038 0.000 1.416 409 G CA -0.434 44.688 45.100 0.037 0.000 1.052 409 G HN 0.660 nan 8.290 nan 0.000 0.542 410 S N -0.627 115.121 115.700 0.081 0.000 2.508 410 S HA 0.441 4.910 4.470 -0.001 0.000 0.284 410 S C -0.018 174.709 174.600 0.212 0.000 1.192 410 S CA -0.367 57.887 58.200 0.090 0.000 1.070 410 S CB 0.737 64.030 63.200 0.155 0.000 1.004 410 S HN 0.688 nan 8.310 nan 0.000 0.493 411 H N -1.490 117.640 119.070 0.100 0.000 3.109 411 H HA -0.132 4.423 4.556 -0.002 0.000 0.245 411 H C -0.195 175.191 175.328 0.097 0.000 1.187 411 H CA 0.376 56.491 56.048 0.111 0.000 1.136 411 H CB -2.111 27.718 29.762 0.111 0.000 1.243 411 H HN 0.347 nan 8.280 nan 0.000 0.328 412 V N 1.691 121.691 119.914 0.144 0.000 2.763 412 V HA 0.021 4.140 4.120 -0.001 0.000 0.306 412 V C 1.180 177.268 176.094 -0.009 0.000 1.059 412 V CA 0.787 63.146 62.300 0.098 0.000 1.138 412 V CB 0.997 32.868 31.823 0.080 0.000 0.940 412 V HN 0.204 nan 8.190 nan 0.000 0.489 413 R N 2.499 122.892 120.500 -0.178 0.000 2.422 413 R HA 0.406 4.745 4.340 -0.001 0.000 0.307 413 R C -0.207 175.907 176.300 -0.311 0.000 1.004 413 R CA -0.418 55.455 56.100 -0.378 0.000 0.882 413 R CB 1.730 31.535 30.300 -0.826 0.000 1.164 413 R HN 0.885 nan 8.270 nan 0.000 0.489 414 T N -0.617 113.897 114.554 -0.067 0.000 2.882 414 T HA 0.483 4.832 4.350 -0.001 0.000 0.287 414 T C 0.775 175.486 174.700 0.017 0.000 0.992 414 T CA -0.698 61.433 62.100 0.052 0.000 1.076 414 T CB 1.815 70.854 68.868 0.285 0.000 0.961 414 T HN 0.532 nan 8.240 nan 0.000 0.490 415 G N 1.813 110.618 108.800 0.008 0.000 2.539 415 G HA2 0.446 4.405 3.960 -0.001 0.000 0.258 415 G HA3 0.446 4.405 3.960 -0.001 0.000 0.258 415 G C 0.015 174.919 174.900 0.008 0.000 1.202 415 G CA -0.832 44.269 45.100 0.002 0.000 0.851 415 G HN 0.901 nan 8.290 nan 0.000 0.556 416 S N -0.168 115.542 115.700 0.017 0.000 2.558 416 S HA 0.096 4.565 4.470 -0.001 0.000 0.287 416 S C 0.737 175.332 174.600 -0.010 0.000 1.321 416 S CA 0.799 59.014 58.200 0.024 0.000 1.048 416 S CB 0.532 63.746 63.200 0.023 0.000 0.844 416 S HN 0.881 nan 8.310 nan 0.000 0.512 417 D N 0.366 120.762 120.400 -0.006 0.000 2.772 417 D HA -0.148 4.492 4.640 -0.001 0.000 0.233 417 D C -0.576 175.653 176.300 -0.118 0.000 1.143 417 D CA 0.948 54.923 54.000 -0.041 0.000 0.700 417 D CB -1.475 39.303 40.800 -0.037 0.000 1.076 417 D HN 0.530 nan 8.370 nan 0.000 0.430 418 T N 1.438 115.880 114.554 -0.187 0.000 2.806 418 T HA 0.449 4.798 4.350 -0.001 0.000 0.290 418 T C 0.615 174.949 174.700 -0.610 0.000 0.966 418 T CA -0.651 61.184 62.100 -0.440 0.000 1.060 418 T CB 1.007 69.513 68.868 -0.603 0.000 0.927 418 T HN 0.023 nan 8.240 nan 0.000 0.485 419 M N 3.818 123.081 119.600 -0.562 0.000 2.180 419 M HA 0.404 4.883 4.480 -0.001 0.000 0.350 419 M C -1.013 174.922 176.300 -0.609 0.000 1.125 419 M CA -0.861 54.177 55.300 -0.437 0.000 1.031 419 M CB 0.414 32.893 32.600 -0.201 0.000 1.623 419 M HN 0.493 nan 8.290 nan 0.000 0.451 420 F N 2.474 122.265 119.950 -0.265 0.000 2.293 420 F HA 0.376 4.903 4.527 -0.000 0.000 0.370 420 F C 0.378 176.121 175.800 -0.094 0.000 1.090 420 F CA -0.931 56.922 58.000 -0.244 0.000 1.133 420 F CB 0.397 39.100 39.000 -0.496 0.000 1.360 420 F HN 0.175 nan 8.300 nan 0.000 0.489 421 V N 3.975 123.932 119.914 0.072 0.000 2.326 421 V HA 0.318 4.437 4.120 -0.001 0.000 0.249 421 V C 0.903 177.058 176.094 0.102 0.000 1.114 421 V CA -0.923 61.422 62.300 0.076 0.000 1.028 421 V CB -0.530 31.312 31.823 0.032 0.000 1.170 421 V HN 0.847 nan 8.190 nan 0.000 0.494 422 A N 8.422 131.322 122.820 0.132 0.000 2.609 422 A HA 0.277 4.596 4.320 -0.001 0.000 0.232 422 A C -1.348 176.287 177.584 0.084 0.000 1.041 422 A CA -0.224 51.886 52.037 0.122 0.000 0.753 422 A CB -0.313 18.765 19.000 0.130 0.000 0.966 422 A HN 0.716 nan 8.150 nan 0.000 0.510 423 P HA 0.555 nan 4.420 nan 0.000 0.292 423 P C -1.100 176.246 177.300 0.077 0.000 1.287 423 P CA -0.271 62.874 63.100 0.075 0.000 0.800 423 P CB 1.555 33.288 31.700 0.054 0.000 0.945 424 V N 2.648 122.617 119.914 0.092 0.000 3.012 424 V HA 0.431 4.550 4.120 -0.001 0.000 0.307 424 V C -0.786 175.362 176.094 0.090 0.000 1.166 424 V CA -0.284 62.074 62.300 0.097 0.000 0.974 424 V CB 2.828 34.729 31.823 0.130 0.000 1.040 424 V HN 0.627 nan 8.190 nan 0.000 0.428 425 T N 6.662 121.262 114.554 0.077 0.000 2.786 425 T HA 0.592 4.942 4.350 -0.001 0.000 0.283 425 T C -0.646 174.100 174.700 0.078 0.000 0.992 425 T CA -0.257 61.882 62.100 0.065 0.000 0.954 425 T CB 0.828 69.725 68.868 0.048 0.000 0.934 425 T HN 0.381 nan 8.240 nan 0.000 0.440 426 I N 3.240 123.859 120.570 0.081 0.000 2.354 426 I HA 0.354 4.523 4.170 -0.001 0.000 0.286 426 I C 1.204 177.369 176.117 0.080 0.000 1.007 426 I CA -0.634 60.724 61.300 0.097 0.000 1.167 426 I CB 0.660 38.734 38.000 0.124 0.000 1.320 426 I HN 0.702 nan 8.210 nan 0.000 0.458 427 G N 5.002 113.849 108.800 0.079 0.000 2.614 427 G HA2 0.063 4.022 3.960 -0.001 0.000 0.239 427 G HA3 0.063 4.022 3.960 -0.001 0.000 0.239 427 G C -0.082 174.870 174.900 0.088 0.000 1.240 427 G CA -0.373 44.770 45.100 0.073 0.000 0.842 427 G HN 0.580 nan 8.290 nan 0.000 0.584 428 D N -0.005 120.446 120.400 0.085 0.000 2.571 428 D HA 0.282 4.921 4.640 -0.001 0.000 0.231 428 D C 1.510 177.886 176.300 0.126 0.000 1.133 428 D CA 1.761 55.827 54.000 0.110 0.000 0.862 428 D CB 0.704 41.564 40.800 0.100 0.000 1.179 428 D HN 0.907 nan 8.370 nan 0.000 0.474 429 G N 0.973 109.877 108.800 0.173 0.000 2.189 429 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.267 429 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.267 429 G C 0.576 175.620 174.900 0.240 0.000 0.975 429 G CA 0.502 45.721 45.100 0.197 0.000 0.644 429 G HN 0.881 nan 8.290 nan 0.000 0.537 430 A N -0.785 122.163 122.820 0.213 0.000 2.366 430 A HA 0.706 5.025 4.320 -0.001 0.000 0.249 430 A C -0.056 177.768 177.584 0.400 0.000 1.084 430 A CA 0.183 52.364 52.037 0.240 0.000 0.794 430 A CB 0.515 19.612 19.000 0.163 0.000 1.034 430 A HN 0.708 nan 8.150 nan 0.000 0.491 431 Y N -1.136 119.206 120.300 0.069 0.000 2.630 431 Y HA 0.571 5.120 4.550 -0.002 0.000 0.337 431 Y C 0.502 176.442 175.900 0.066 0.000 1.051 431 Y CA -0.672 57.471 58.100 0.071 0.000 1.121 431 Y CB 2.822 41.314 38.460 0.053 0.000 1.299 431 Y HN 0.612 nan 8.280 nan 0.000 0.498 432 T N 0.836 115.497 114.554 0.180 0.000 2.916 432 T HA 0.386 4.735 4.350 -0.001 0.000 0.298 432 T C -0.173 174.569 174.700 0.070 0.000 1.031 432 T CA -0.692 61.466 62.100 0.096 0.000 0.993 432 T CB 1.322 70.223 68.868 0.055 0.000 1.045 432 T HN 0.876 nan 8.240 nan 0.000 0.454 433 G N 1.471 110.300 108.800 0.047 0.000 2.636 433 G HA2 0.503 4.462 3.960 -0.001 0.000 0.246 433 G HA3 0.503 4.462 3.960 -0.001 0.000 0.246 433 G C 0.264 175.162 174.900 -0.004 0.000 1.216 433 G CA -0.373 44.746 45.100 0.032 0.000 0.854 433 G HN 0.998 nan 8.290 nan 0.000 0.572 434 A N -0.473 122.348 122.820 0.000 0.000 2.511 434 A HA 0.540 4.859 4.320 -0.001 0.000 0.242 434 A C 1.540 179.102 177.584 -0.038 0.000 1.069 434 A CA 0.992 53.019 52.037 -0.018 0.000 0.763 434 A CB -0.302 18.694 19.000 -0.006 0.000 1.001 434 A HN 2.625 nan 8.150 nan 0.000 0.498 435 G N 2.251 111.017 108.800 -0.058 0.000 2.198 435 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.257 435 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.257 435 G C 0.209 175.058 174.900 -0.086 0.000 1.042 435 G CA 0.421 45.480 45.100 -0.068 0.000 0.791 435 G HN 1.215 nan 8.290 nan 0.000 0.502 436 T N -0.050 114.432 114.554 -0.121 0.000 2.799 436 T HA 0.512 4.861 4.350 -0.001 0.000 0.286 436 T C 0.423 175.002 174.700 -0.202 0.000 0.973 436 T CA -0.461 61.557 62.100 -0.137 0.000 1.035 436 T CB 2.469 71.257 68.868 -0.133 0.000 0.932 436 T HN 0.414 nan 8.240 nan 0.000 0.469 437 V N 4.443 124.264 119.914 -0.155 0.000 2.320 437 V HA 0.201 4.320 4.120 -0.001 0.000 0.265 437 V C 0.175 176.181 176.094 -0.146 0.000 1.048 437 V CA -0.678 61.524 62.300 -0.164 0.000 0.865 437 V CB 0.799 32.560 31.823 -0.103 0.000 1.043 437 V HN 0.711 nan 8.190 nan 0.000 0.474 438 V N 7.050 126.839 119.914 -0.209 0.000 2.389 438 V HA 0.334 4.453 4.120 -0.001 0.000 0.264 438 V C 1.048 177.115 176.094 -0.045 0.000 1.049 438 V CA -0.053 62.175 62.300 -0.121 0.000 0.932 438 V CB 0.848 32.591 31.823 -0.133 0.000 1.011 438 V HN 0.820 nan 8.190 nan 0.000 0.475 439 R N 2.370 122.862 120.500 -0.013 0.000 2.446 439 R HA 0.330 4.669 4.340 -0.001 0.000 0.254 439 R C 0.074 176.390 176.300 0.027 0.000 0.918 439 R CA 0.036 56.142 56.100 0.009 0.000 1.069 439 R CB 0.998 31.298 30.300 -0.001 0.000 1.194 439 R HN 0.700 nan 8.270 nan 0.000 0.534 440 E N 0.364 120.583 120.200 0.031 0.000 2.367 440 E HA 0.157 4.506 4.350 -0.001 0.000 0.273 440 E C -1.499 175.131 176.600 0.050 0.000 0.903 440 E CA -0.981 55.441 56.400 0.037 0.000 0.764 440 E CB 1.661 31.376 29.700 0.026 0.000 1.252 440 E HN -0.049 nan 8.360 nan 0.000 0.446 441 D N 0.889 121.319 120.400 0.051 0.000 2.601 441 D HA -0.010 4.629 4.640 -0.001 0.000 0.229 441 D C -0.634 175.702 176.300 0.058 0.000 1.140 441 D CA 0.656 54.691 54.000 0.058 0.000 0.862 441 D CB 0.523 41.351 40.800 0.047 0.000 1.192 441 D HN -0.041 nan 8.370 nan 0.000 0.480 442 V N 4.646 124.603 119.914 0.072 0.000 2.350 442 V HA 0.248 4.367 4.120 -0.001 0.000 0.285 442 V C -2.028 174.106 176.094 0.068 0.000 1.014 442 V CA -1.651 60.693 62.300 0.072 0.000 0.831 442 V CB 1.623 33.504 31.823 0.095 0.000 1.000 442 V HN 0.409 nan 8.190 nan 0.000 0.433 443 P HA 0.143 nan 4.420 nan 0.000 0.268 443 P C -2.624 174.711 177.300 0.058 0.000 1.208 443 P CA -1.023 62.106 63.100 0.048 0.000 0.777 443 P CB -0.215 31.506 31.700 0.036 0.000 0.875 444 P HA -0.001 nan 4.420 nan 0.000 0.261 444 P C 1.003 178.335 177.300 0.053 0.000 1.183 444 P CA 1.461 64.597 63.100 0.061 0.000 0.761 444 P CB -0.146 31.582 31.700 0.048 0.000 0.785 445 G N 1.980 110.822 108.800 0.070 0.000 2.184 445 G HA2 -0.218 3.741 3.960 -0.001 0.000 0.264 445 G HA3 -0.218 3.741 3.960 -0.001 0.000 0.264 445 G C 0.473 175.389 174.900 0.025 0.000 0.975 445 G CA 0.095 45.221 45.100 0.042 0.000 0.642 445 G HN 0.863 nan 8.290 nan 0.000 0.536 446 A N -0.497 122.352 122.820 0.048 0.000 2.351 446 A HA 0.729 5.048 4.320 -0.001 0.000 0.257 446 A C 0.177 177.799 177.584 0.065 0.000 1.087 446 A CA 0.096 52.158 52.037 0.040 0.000 0.798 446 A CB 0.897 19.923 19.000 0.044 0.000 1.033 446 A HN 1.441 nan 8.150 nan 0.000 0.488 447 L N 1.991 123.239 121.223 0.043 0.000 2.257 447 L HA 0.636 4.975 4.340 -0.001 0.000 0.290 447 L C 0.338 177.243 176.870 0.059 0.000 1.044 447 L CA -0.021 54.863 54.840 0.072 0.000 0.810 447 L CB 0.671 42.756 42.059 0.043 0.000 1.193 447 L HN 0.752 nan 8.230 nan 0.000 0.425 448 A N 5.677 128.539 122.820 0.071 0.000 2.290 448 A HA 0.737 5.056 4.320 -0.001 0.000 0.310 448 A C -0.620 176.976 177.584 0.021 0.000 1.202 448 A CA -0.063 51.998 52.037 0.040 0.000 0.837 448 A CB 0.745 19.768 19.000 0.039 0.000 1.139 448 A HN 1.088 nan 8.150 nan 0.000 0.509 449 V N 0.217 120.133 119.914 0.004 0.000 3.078 449 V HA 0.909 5.029 4.120 -0.001 0.000 0.311 449 V C 0.206 176.286 176.094 -0.022 0.000 1.138 449 V CA 0.178 62.472 62.300 -0.008 0.000 1.007 449 V CB 1.549 33.372 31.823 0.001 0.000 1.045 449 V HN 1.446 nan 8.190 nan 0.000 0.432 450 S N 0.324 116.005 115.700 -0.031 0.000 2.490 450 S HA 0.458 4.927 4.470 -0.001 0.000 0.280 450 S C 1.006 175.587 174.600 -0.031 0.000 1.048 450 S CA 0.513 58.693 58.200 -0.033 0.000 1.263 450 S CB -0.209 62.965 63.200 -0.044 0.000 1.053 450 S HN 2.288 nan 8.310 nan 0.000 0.538 451 A N 2.241 125.040 122.820 -0.034 0.000 2.584 451 A HA 0.535 4.854 4.320 -0.001 0.000 0.239 451 A C 0.963 178.533 177.584 -0.024 0.000 1.043 451 A CA 0.593 52.611 52.037 -0.031 0.000 0.756 451 A CB -0.683 18.298 19.000 -0.031 0.000 0.963 451 A HN 0.900 nan 8.150 nan 0.000 0.511 452 G N 2.045 110.830 108.800 -0.025 0.000 2.621 452 G HA2 0.534 4.493 3.960 -0.001 0.000 0.271 452 G HA3 0.534 4.493 3.960 -0.001 0.000 0.271 452 G C -1.907 172.981 174.900 -0.021 0.000 1.236 452 G CA -0.764 44.324 45.100 -0.021 0.000 0.958 452 G HN 0.765 nan 8.290 nan 0.000 0.512 453 P HA 0.193 nan 4.420 nan 0.000 0.277 453 P C -0.478 176.809 177.300 -0.021 0.000 1.240 453 P CA -0.514 62.576 63.100 -0.016 0.000 0.798 453 P CB 0.913 32.606 31.700 -0.012 0.000 0.979 454 Q N 1.664 121.451 119.800 -0.021 0.000 2.289 454 Q HA 0.070 4.410 4.340 -0.001 0.000 0.273 454 Q C -0.149 175.836 176.000 -0.025 0.000 1.029 454 Q CA 0.044 55.831 55.803 -0.026 0.000 0.896 454 Q CB 0.422 29.146 28.738 -0.023 0.000 1.182 454 Q HN 0.347 nan 8.270 nan 0.000 0.385 455 R N 3.953 124.433 120.500 -0.033 0.000 2.476 455 R HA 0.337 4.676 4.340 -0.001 0.000 0.305 455 R C -1.352 174.925 176.300 -0.038 0.000 0.965 455 R CA -0.673 55.410 56.100 -0.028 0.000 0.867 455 R CB 0.899 31.184 30.300 -0.025 0.000 1.176 455 R HN 0.591 nan 8.270 nan 0.000 0.447 456 N N 4.804 123.490 118.700 -0.024 0.000 2.426 456 N HA 0.319 5.058 4.740 -0.001 0.000 0.275 456 N C -0.766 174.743 175.510 -0.002 0.000 1.019 456 N CA -0.263 52.775 53.050 -0.022 0.000 0.941 456 N CB 1.413 39.895 38.487 -0.008 0.000 1.123 456 N HN 0.531 nan 8.380 nan 0.000 0.486 457 I N 1.546 122.118 120.570 0.003 0.000 2.371 457 I HA 0.181 4.350 4.170 -0.001 0.000 0.282 457 I C 0.525 176.711 176.117 0.115 0.000 1.031 457 I CA -0.507 60.830 61.300 0.061 0.000 1.180 457 I CB 0.809 38.855 38.000 0.075 0.000 1.336 457 I HN 0.214 nan 8.210 nan 0.000 0.467 458 E N 5.747 126.002 120.200 0.092 0.000 2.373 458 E HA 0.098 4.447 4.350 -0.001 0.000 0.267 458 E C 0.190 176.858 176.600 0.115 0.000 1.032 458 E CA -0.032 56.421 56.400 0.088 0.000 0.889 458 E CB 0.373 30.106 29.700 0.054 0.000 0.984 458 E HN 0.503 nan 8.360 nan 0.000 0.425 459 N N 1.444 120.210 118.700 0.110 0.000 2.708 459 N HA -0.251 4.488 4.740 -0.001 0.000 0.251 459 N C 0.275 175.856 175.510 0.119 0.000 1.123 459 N CA 0.972 54.077 53.050 0.091 0.000 0.739 459 N CB -1.360 37.153 38.487 0.044 0.000 1.113 459 N HN 0.716 nan 8.380 nan 0.000 0.561 460 W N 1.437 122.735 121.300 -0.003 0.000 2.333 460 W HA -0.171 4.488 4.660 -0.001 0.000 0.316 460 W C 1.988 178.505 176.519 -0.004 0.000 1.215 460 W CA 2.222 59.565 57.345 -0.004 0.000 1.278 460 W CB -0.407 29.051 29.460 -0.004 0.000 1.154 460 W HN 0.017 nan 8.180 nan 0.000 0.486 461 V N 1.440 121.547 119.914 0.322 0.000 2.343 461 V HA -0.363 3.756 4.120 -0.001 0.000 0.247 461 V C 2.554 178.610 176.094 -0.062 0.000 1.051 461 V CA 2.177 64.560 62.300 0.140 0.000 1.036 461 V CB -1.170 30.799 31.823 0.242 0.000 0.654 461 V HN 0.288 nan 8.190 nan 0.000 0.451 462 Q N 0.335 120.115 119.800 -0.033 0.000 2.030 462 Q HA -0.225 4.114 4.340 -0.001 0.000 0.204 462 Q C 2.395 178.318 176.000 -0.128 0.000 0.986 462 Q CA 1.788 57.556 55.803 -0.058 0.000 0.843 462 Q CB -0.469 28.250 28.738 -0.032 0.000 0.904 462 Q HN 0.630 nan 8.270 nan 0.000 0.420 463 R N 0.464 120.851 120.500 -0.188 0.000 2.066 463 R HA -0.013 4.326 4.340 -0.001 0.000 0.232 463 R C 2.199 178.283 176.300 -0.360 0.000 1.131 463 R CA 0.894 56.846 56.100 -0.247 0.000 0.955 463 R CB -0.008 30.141 30.300 -0.252 0.000 0.851 463 R HN 0.128 nan 8.270 nan 0.000 0.432 464 K N -0.229 119.793 120.400 -0.629 0.000 2.354 464 K HA 0.122 4.441 4.320 -0.001 0.000 0.194 464 K C 0.236 176.546 176.600 -0.482 0.000 1.045 464 K CA 0.197 56.042 56.287 -0.737 0.000 1.026 464 K CB 0.790 32.469 32.500 -1.367 0.000 0.866 464 K HN -0.062 nan 8.250 nan 0.000 0.530 465 R N 1.307 121.594 120.500 -0.355 0.000 2.651 465 R HA 0.187 4.526 4.340 -0.001 0.000 0.282 465 R C -2.603 173.639 176.300 -0.096 0.000 1.565 465 R CA -1.773 54.241 56.100 -0.144 0.000 1.661 465 R CB 0.743 31.026 30.300 -0.029 0.000 1.189 465 R HN -0.062 nan 8.270 nan 0.000 0.621 466 P HA 0.113 nan 4.420 nan 0.000 0.249 466 P C -0.058 177.220 177.300 -0.037 0.000 1.686 466 P CA 0.322 63.383 63.100 -0.066 0.000 0.873 466 P CB 0.216 31.874 31.700 -0.071 0.000 1.828 467 G N -2.056 106.730 108.800 -0.023 0.000 2.667 467 G HA2 0.502 4.461 3.960 -0.001 0.000 0.294 467 G HA3 0.502 4.461 3.960 -0.001 0.000 0.294 467 G C -0.711 174.191 174.900 0.003 0.000 1.467 467 G CA -0.101 44.993 45.100 -0.010 0.000 0.852 467 G HN -0.021 nan 8.290 nan 0.000 0.521 468 S N 0.256 115.959 115.700 0.006 0.000 4.093 468 S HA -0.148 4.322 4.470 -0.001 0.000 0.628 468 S C -1.464 173.147 174.600 0.018 0.000 1.948 468 S CA 0.684 58.891 58.200 0.013 0.000 4.095 468 S CB -1.583 61.628 63.200 0.019 0.000 0.216 468 S HN 0.759 nan 8.310 nan 0.000 0.590 469 P HA -0.152 nan 4.420 nan 0.000 0.220 469 P C 1.046 178.367 177.300 0.035 0.000 1.142 469 P CA 2.313 65.434 63.100 0.034 0.000 0.801 469 P CB -0.575 31.156 31.700 0.051 0.000 0.764 470 A N 0.025 122.862 122.820 0.027 0.000 1.986 470 A HA 0.036 4.355 4.320 -0.001 0.000 0.220 470 A C 1.536 179.127 177.584 0.012 0.000 1.171 470 A CA 1.466 53.513 52.037 0.017 0.000 0.640 470 A CB -1.011 17.988 19.000 -0.002 0.000 0.811 470 A HN 0.359 nan 8.150 nan 0.000 0.451 471 A N -0.032 122.795 122.820 0.011 0.000 2.271 471 A HA 0.611 4.931 4.320 -0.001 0.000 0.317 471 A C -0.753 176.839 177.584 0.014 0.000 1.245 471 A CA -0.654 51.389 52.037 0.010 0.000 0.857 471 A CB 0.484 19.487 19.000 0.006 0.000 1.175 471 A HN 0.358 nan 8.150 nan 0.000 0.512 472 Q N 2.112 121.921 119.800 0.015 0.000 2.700 472 Q HA 0.548 4.887 4.340 -0.001 0.000 0.249 472 Q C 0.308 176.319 176.000 0.018 0.000 1.033 472 Q CA 0.138 55.950 55.803 0.014 0.000 0.804 472 Q CB 1.303 30.047 28.738 0.011 0.000 1.164 472 Q HN 0.730 nan 8.270 nan 0.000 0.500 473 A N 0.476 123.309 122.820 0.022 0.000 2.251 473 A HA 0.213 4.532 4.320 -0.001 0.000 0.209 473 A C 0.902 178.497 177.584 0.018 0.000 1.187 473 A CA 0.120 52.173 52.037 0.026 0.000 0.823 473 A CB 0.500 19.522 19.000 0.037 0.000 0.846 473 A HN 0.467 nan 8.150 nan 0.000 0.486 474 S N 0.000 115.708 115.700 0.014 0.000 2.498 474 S HA 0.000 4.469 4.470 -0.001 0.000 0.327 474 S CA 0.000 58.206 58.200 0.009 0.000 1.107 474 S CB 0.000 63.203 63.200 0.006 0.000 0.593 474 S HN 0.000 nan 8.310 nan 0.000 0.517