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 3fum_1_A DATA FIRST_RESID 5 DATA SEQUENCE DTCSLASPAS VCRTKHLHLR CSVDFTRRTL TGTAALTVQS QEDNLRSLVL DATA SEQUENCE DTKDLTIEKV VINGQEVKYA LGERQSYKGS PMEISLPIAL SKNQEIVIEI DATA SEQUENCE SFETSPKSSA LQWLTPEQTS GKEHPYLFSQ CQAIHCRAIL PCQDTPSVKL DATA SEQUENCE TYTAEVSVPK ELVALMSAIR DGETPDPEDP SRKIYKFIQK VPIPCYLIAL DATA SEQUENCE VVGALESRQI GPRTLVWSEK EQVEKSAYEF SETESMLKIA EDLGGPYVWG DATA SEQUENCE QYDLLVLPPS FPYGGMENPC LTFVTPTLLA GDKSLSNVIA HEISHSWTGN DATA SEQUENCE LVTNKTWDHF WLNEGHTVYL ERHICGRLFG EKFRHFNALG GWGELQNSVK DATA SEQUENCE TFGETHPFTK LVVDLTDIDP DVAYSSVPYE KGFALLFYLE QLLGGPEIFL DATA SEQUENCE GFLKAYVEKF SYKSITTDDW KDFLYSYFKD KVDVLNQVDW NAWLYSPGLP DATA SEQUENCE PIKPNYDMTL TNACIALSQR WITAKEDDLN SFNATDLKDL SSHQLNEFLA DATA SEQUENCE QTLQRAPLPL GHIKRMQEVY NFNAINNSEI RFRWLRLCIQ SKWEDAIPLA DATA SEQUENCE LKMATEQGRM KFTRPLFKDL AAFDKSHDQA VRTYQEHKAS MHPVTAMLVG DATA SEQUENCE KDLKV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.342 176.300 0.071 0.000 2.045 5 D CA 0.000 54.033 54.000 0.055 0.000 0.868 5 D CB 0.000 40.820 40.800 0.034 0.000 0.688 6 T N -1.000 113.605 114.554 0.086 0.000 3.163 6 T HA 0.013 4.360 4.350 -0.005 0.000 0.260 6 T C 1.580 176.342 174.700 0.104 0.000 1.156 6 T CA 0.463 62.613 62.100 0.084 0.000 1.072 6 T CB -0.406 68.513 68.868 0.085 0.000 0.937 6 T HN 0.387 nan 8.240 nan 0.000 0.528 7 C N 1.170 120.553 119.300 0.138 0.000 2.791 7 C HA 0.523 4.980 4.460 -0.005 0.000 0.270 7 C C 1.235 176.288 174.990 0.105 0.000 1.257 7 C CA -0.667 58.449 59.018 0.163 0.000 1.699 7 C CB -1.092 26.797 27.740 0.248 0.000 1.904 7 C HN 0.596 nan 8.230 nan 0.000 0.603 8 S N -0.175 115.572 115.700 0.078 0.000 2.513 8 S HA 0.652 5.119 4.470 -0.005 0.000 0.299 8 S C 0.230 174.841 174.600 0.019 0.000 1.087 8 S CA -0.530 57.698 58.200 0.048 0.000 1.012 8 S CB 0.730 63.964 63.200 0.057 0.000 1.044 8 S HN 0.398 nan 8.310 nan 0.000 0.485 9 L N 2.866 124.090 121.223 0.000 0.000 2.640 9 L HA 0.419 4.756 4.340 -0.005 0.000 0.230 9 L C 1.216 178.086 176.870 -0.000 0.000 1.123 9 L CA -0.231 54.605 54.840 -0.007 0.000 0.900 9 L CB -0.425 41.620 42.059 -0.023 0.000 1.146 9 L HN 0.646 nan 8.230 nan 0.000 0.484 10 A N 0.110 122.932 122.820 0.004 0.000 2.327 10 A HA 0.386 4.704 4.320 -0.005 0.000 0.255 10 A C 0.578 178.167 177.584 0.008 0.000 1.099 10 A CA -0.171 51.869 52.037 0.004 0.000 0.801 10 A CB 0.246 19.248 19.000 0.003 0.000 1.062 10 A HN 0.178 nan 8.150 nan 0.000 0.496 11 S N 2.450 118.155 115.700 0.008 0.000 2.537 11 S HA 0.314 4.782 4.470 -0.005 0.000 0.286 11 S C -2.062 172.544 174.600 0.010 0.000 1.299 11 S CA -0.548 57.657 58.200 0.010 0.000 1.067 11 S CB -0.038 63.168 63.200 0.010 0.000 0.864 11 S HN 0.614 nan 8.310 nan 0.000 0.494 12 P HA 0.186 nan 4.420 nan 0.000 0.273 12 P C 0.437 177.742 177.300 0.008 0.000 1.250 12 P CA -0.389 62.717 63.100 0.011 0.000 0.793 12 P CB 0.488 32.196 31.700 0.012 0.000 1.011 13 A N 1.211 124.035 122.820 0.006 0.000 2.024 13 A HA -0.171 4.146 4.320 -0.005 0.000 0.220 13 A C 2.151 179.738 177.584 0.006 0.000 1.164 13 A CA 2.152 54.191 52.037 0.005 0.000 0.643 13 A CB -1.716 17.285 19.000 0.001 0.000 0.806 13 A HN 0.654 nan 8.150 nan 0.000 0.451 14 S N -0.951 114.753 115.700 0.007 0.000 2.474 14 S HA -0.035 4.432 4.470 -0.005 0.000 0.235 14 S C 1.554 176.158 174.600 0.008 0.000 0.997 14 S CA 1.274 59.478 58.200 0.007 0.000 0.949 14 S CB -0.342 62.863 63.200 0.009 0.000 0.766 14 S HN 0.235 nan 8.310 nan 0.000 0.517 15 V N 0.920 120.839 119.914 0.008 0.000 2.436 15 V HA 0.224 4.342 4.120 -0.005 0.000 0.240 15 V C 1.245 177.344 176.094 0.008 0.000 1.040 15 V CA 0.820 63.125 62.300 0.009 0.000 1.052 15 V CB -0.001 31.828 31.823 0.009 0.000 0.707 15 V HN 0.937 nan 8.190 nan 0.000 0.469 16 C N -0.577 118.728 119.300 0.009 0.000 3.285 16 C HA 0.784 5.242 4.460 -0.005 0.000 0.325 16 C C -0.965 174.031 174.990 0.009 0.000 1.304 16 C CA -1.294 57.730 59.018 0.009 0.000 1.319 16 C CB 1.568 29.315 27.740 0.010 0.000 1.640 16 C HN 0.413 nan 8.230 nan 0.000 0.477 17 R N 1.011 121.517 120.500 0.011 0.000 2.502 17 R HA 0.620 4.957 4.340 -0.005 0.000 0.300 17 R C -0.791 175.519 176.300 0.018 0.000 0.984 17 R CA -0.242 55.865 56.100 0.012 0.000 0.882 17 R CB 2.290 32.597 30.300 0.011 0.000 1.180 17 R HN 0.869 nan 8.270 nan 0.000 0.444 18 T N 3.915 118.479 114.554 0.017 0.000 2.799 18 T HA 0.083 4.430 4.350 -0.005 0.000 0.296 18 T C 1.000 175.723 174.700 0.039 0.000 0.947 18 T CA -0.314 61.802 62.100 0.026 0.000 1.141 18 T CB 0.748 69.624 68.868 0.013 0.000 0.891 18 T HN 0.267 nan 8.240 nan 0.000 0.533 19 K N 1.671 122.108 120.400 0.062 0.000 2.308 19 K HA 0.142 4.459 4.320 -0.005 0.000 0.197 19 K C 0.486 177.179 176.600 0.155 0.000 1.049 19 K CA 0.613 56.949 56.287 0.082 0.000 0.991 19 K CB 0.202 32.744 32.500 0.070 0.000 0.836 19 K HN 0.738 nan 8.250 nan 0.000 0.500 20 H N -1.268 117.828 119.070 0.043 0.000 3.079 20 H HA 0.451 5.004 4.556 -0.004 0.000 0.356 20 H C -2.088 173.291 175.328 0.085 0.000 1.221 20 H CA -0.979 55.113 56.048 0.074 0.000 1.185 20 H CB 1.332 31.135 29.762 0.068 0.000 1.882 20 H HN -0.087 nan 8.280 nan 0.000 0.543 21 L N 3.997 125.019 121.223 -0.336 0.000 2.381 21 L HA 0.385 4.722 4.340 -0.005 0.000 0.274 21 L C -1.596 175.227 176.870 -0.080 0.000 0.988 21 L CA -0.351 54.411 54.840 -0.130 0.000 0.824 21 L CB 1.325 43.294 42.059 -0.149 0.000 1.263 21 L HN 0.806 nan 8.230 nan 0.000 0.410 22 H N 5.732 124.846 119.070 0.075 0.000 2.541 22 H HA 0.414 4.968 4.556 -0.004 0.000 0.316 22 H C -1.626 173.766 175.328 0.105 0.000 1.043 22 H CA -0.737 55.395 56.048 0.139 0.000 1.232 22 H CB 1.784 31.674 29.762 0.214 0.000 1.406 22 H HN 0.667 nan 8.280 nan 0.000 0.469 23 L N 6.403 127.415 121.223 -0.352 0.000 2.287 23 L HA 0.392 4.730 4.340 -0.005 0.000 0.287 23 L C -0.585 176.111 176.870 -0.290 0.000 1.022 23 L CA -0.344 54.374 54.840 -0.203 0.000 0.814 23 L CB 0.830 42.825 42.059 -0.106 0.000 1.217 23 L HN 0.584 nan 8.230 nan 0.000 0.420 24 R N 4.961 125.380 120.500 -0.134 0.000 2.360 24 R HA 0.659 4.996 4.340 -0.005 0.000 0.318 24 R C -1.130 175.155 176.300 -0.024 0.000 0.950 24 R CA -0.460 55.607 56.100 -0.055 0.000 0.837 24 R CB 0.990 31.304 30.300 0.022 0.000 1.165 24 R HN 0.911 nan 8.270 nan 0.000 0.458 25 C N -0.329 118.966 119.300 -0.009 0.000 3.171 25 C HA 0.806 5.264 4.460 -0.005 0.000 0.308 25 C C -0.372 174.613 174.990 -0.008 0.000 1.334 25 C CA -1.040 57.956 59.018 -0.038 0.000 1.473 25 C CB 1.825 29.558 27.740 -0.011 0.000 1.866 25 C HN 0.685 nan 8.230 nan 0.000 0.465 26 S N 0.373 116.055 115.700 -0.029 0.000 2.521 26 S HA 0.725 5.192 4.470 -0.005 0.000 0.295 26 S C -1.054 173.545 174.600 -0.001 0.000 1.098 26 S CA -0.365 57.837 58.200 0.004 0.000 0.999 26 S CB 1.337 64.536 63.200 -0.001 0.000 1.034 26 S HN 1.136 nan 8.310 nan 0.000 0.483 27 V N 4.536 124.456 119.914 0.011 0.000 2.368 27 V HA 0.354 4.472 4.120 -0.005 0.000 0.266 27 V C -0.145 175.928 176.094 -0.035 0.000 1.045 27 V CA -0.588 61.691 62.300 -0.035 0.000 0.899 27 V CB 1.071 32.793 31.823 -0.167 0.000 1.006 27 V HN 0.872 nan 8.190 nan 0.000 0.470 28 D N 3.929 124.318 120.400 -0.019 0.000 2.443 28 D HA 0.305 4.942 4.640 -0.005 0.000 0.221 28 D C 0.563 176.787 176.300 -0.126 0.000 1.097 28 D CA -0.370 53.606 54.000 -0.040 0.000 0.865 28 D CB 0.886 41.646 40.800 -0.067 0.000 1.034 28 D HN 0.371 nan 8.370 nan 0.000 0.511 29 F N 1.063 121.077 119.950 0.107 0.000 2.407 29 F HA -0.091 4.433 4.527 -0.004 0.000 0.299 29 F C 2.452 178.206 175.800 -0.076 0.000 1.097 29 F CA 0.724 58.776 58.000 0.087 0.000 1.422 29 F CB -0.074 39.048 39.000 0.204 0.000 1.067 29 F HN 0.296 nan 8.300 nan 0.000 0.539 30 T N -0.428 114.180 114.554 0.090 0.000 2.777 30 T HA -0.119 4.228 4.350 -0.005 0.000 0.266 30 T C 1.815 176.458 174.700 -0.096 0.000 1.040 30 T CA 1.207 63.313 62.100 0.010 0.000 1.141 30 T CB -0.152 68.727 68.868 0.018 0.000 0.868 30 T HN 0.235 nan 8.240 nan 0.000 0.444 31 R N -0.007 120.391 120.500 -0.171 0.000 2.362 31 R HA 0.357 4.695 4.340 -0.005 0.000 0.227 31 R C 0.181 176.218 176.300 -0.439 0.000 0.905 31 R CA -0.245 55.715 56.100 -0.232 0.000 1.067 31 R CB 0.307 30.507 30.300 -0.167 0.000 1.078 31 R HN 0.125 nan 8.270 nan 0.000 0.516 32 R N 1.225 121.286 120.500 -0.732 0.000 3.333 32 R HA -0.149 4.188 4.340 -0.005 0.000 0.256 32 R C -0.697 174.851 176.300 -1.254 0.000 1.010 32 R CA 1.231 56.306 56.100 -1.708 0.000 0.680 32 R CB -1.989 27.403 30.300 -1.514 0.000 1.102 32 R HN 0.404 nan 8.270 nan 0.000 0.440 33 T N -2.961 111.227 114.554 -0.610 0.000 2.907 33 T HA 0.685 5.032 4.350 -0.005 0.000 0.292 33 T C -0.266 174.491 174.700 0.095 0.000 1.043 33 T CA -1.134 60.889 62.100 -0.128 0.000 1.003 33 T CB 2.339 71.138 68.868 -0.115 0.000 1.084 33 T HN 0.176 nan 8.240 nan 0.000 0.483 34 L N 1.505 122.827 121.223 0.166 0.000 2.322 34 L HA 0.749 5.087 4.340 -0.005 0.000 0.281 34 L C -0.789 176.045 176.870 -0.061 0.000 1.014 34 L CA -0.190 54.706 54.840 0.093 0.000 0.815 34 L CB 1.827 43.975 42.059 0.149 0.000 1.247 34 L HN 0.961 nan 8.230 nan 0.000 0.421 35 T N 3.420 117.869 114.554 -0.175 0.000 2.893 35 T HA 0.882 5.229 4.350 -0.005 0.000 0.293 35 T C -0.098 174.330 174.700 -0.453 0.000 1.027 35 T CA -0.071 61.818 62.100 -0.352 0.000 0.988 35 T CB 1.800 70.548 68.868 -0.201 0.000 1.043 35 T HN 1.004 nan 8.240 nan 0.000 0.461 36 G N 1.525 109.886 108.800 -0.731 0.000 2.491 36 G HA2 0.456 4.413 3.960 -0.005 0.000 0.183 36 G HA3 0.456 4.413 3.960 -0.005 0.000 0.183 36 G C -1.022 173.630 174.900 -0.413 0.000 1.221 36 G CA -0.067 44.770 45.100 -0.439 0.000 0.996 36 G HN 1.065 nan 8.290 nan 0.000 0.474 37 T N -1.983 112.513 114.554 -0.098 0.000 2.861 37 T HA 0.804 5.151 4.350 -0.005 0.000 0.287 37 T C -0.354 174.484 174.700 0.231 0.000 1.003 37 T CA 0.378 62.535 62.100 0.095 0.000 0.977 37 T CB 1.846 70.753 68.868 0.064 0.000 0.996 37 T HN 2.024 nan 8.240 nan 0.000 0.448 38 A N 2.357 125.348 122.820 0.286 0.000 2.277 38 A HA 0.787 5.105 4.320 -0.005 0.000 0.318 38 A C 0.430 178.072 177.584 0.097 0.000 1.339 38 A CA -0.854 51.267 52.037 0.140 0.000 0.875 38 A CB -0.072 18.934 19.000 0.010 0.000 1.158 38 A HN 1.410 nan 8.150 nan 0.000 0.514 39 A N 3.826 126.716 122.820 0.117 0.000 2.316 39 A HA 0.588 4.905 4.320 -0.005 0.000 0.311 39 A C -0.224 177.428 177.584 0.113 0.000 1.339 39 A CA -0.254 51.857 52.037 0.122 0.000 0.960 39 A CB -0.324 18.778 19.000 0.169 0.000 1.152 39 A HN 0.806 nan 8.150 nan 0.000 0.547 40 L N 3.013 124.277 121.223 0.068 0.000 2.260 40 L HA 0.271 4.608 4.340 -0.005 0.000 0.289 40 L C 0.255 177.170 176.870 0.075 0.000 1.057 40 L CA -0.256 54.619 54.840 0.059 0.000 0.811 40 L CB 1.172 43.242 42.059 0.017 0.000 1.184 40 L HN 0.571 nan 8.230 nan 0.000 0.429 41 T N 3.318 117.938 114.554 0.110 0.000 2.737 41 T HA 0.347 4.694 4.350 -0.005 0.000 0.296 41 T C 0.089 174.829 174.700 0.066 0.000 0.922 41 T CA -0.246 61.908 62.100 0.090 0.000 1.079 41 T CB 0.903 69.839 68.868 0.114 0.000 0.892 41 T HN 0.202 nan 8.240 nan 0.000 0.514 42 V N 4.309 124.249 119.914 0.043 0.000 2.604 42 V HA 0.438 4.555 4.120 -0.005 0.000 0.305 42 V C -0.048 176.060 176.094 0.023 0.000 1.043 42 V CA -0.965 61.353 62.300 0.030 0.000 0.888 42 V CB 1.924 33.761 31.823 0.023 0.000 0.995 42 V HN 0.792 nan 8.190 nan 0.000 0.429 43 Q N 2.464 122.275 119.800 0.019 0.000 2.307 43 Q HA 0.498 4.835 4.340 -0.005 0.000 0.262 43 Q C -0.149 175.857 176.000 0.010 0.000 0.961 43 Q CA -0.244 55.567 55.803 0.013 0.000 0.882 43 Q CB 1.713 30.457 28.738 0.010 0.000 1.264 43 Q HN 0.827 nan 8.270 nan 0.000 0.446 44 S N 2.738 118.443 115.700 0.009 0.000 2.576 44 S HA 0.091 4.559 4.470 -0.005 0.000 0.276 44 S C 0.343 174.947 174.600 0.006 0.000 1.339 44 S CA -0.121 58.084 58.200 0.008 0.000 1.039 44 S CB 0.855 64.060 63.200 0.008 0.000 0.902 44 S HN 0.770 nan 8.310 nan 0.000 0.516 45 Q N 1.856 121.660 119.800 0.006 0.000 2.217 45 Q HA 0.334 4.671 4.340 -0.005 0.000 0.217 45 Q C -0.399 175.604 176.000 0.005 0.000 0.844 45 Q CA 0.319 56.125 55.803 0.005 0.000 0.957 45 Q CB 0.627 29.368 28.738 0.006 0.000 1.127 45 Q HN 0.733 nan 8.270 nan 0.000 0.503 46 E N 0.779 120.982 120.200 0.006 0.000 2.256 46 E HA 0.216 4.564 4.350 -0.005 0.000 0.267 46 E C -1.241 175.362 176.600 0.005 0.000 0.892 46 E CA -0.641 55.763 56.400 0.006 0.000 0.775 46 E CB 1.602 31.306 29.700 0.007 0.000 1.207 46 E HN -0.062 nan 8.360 nan 0.000 0.420 47 D N 0.987 121.390 120.400 0.005 0.000 2.419 47 D HA -0.084 4.554 4.640 -0.005 0.000 0.236 47 D C 0.257 176.561 176.300 0.005 0.000 1.165 47 D CA 0.799 54.802 54.000 0.004 0.000 0.882 47 D CB 0.344 41.146 40.800 0.004 0.000 1.201 47 D HN 0.475 nan 8.370 nan 0.000 0.443 48 N N 0.907 119.610 118.700 0.005 0.000 2.710 48 N HA -0.228 4.509 4.740 -0.005 0.000 0.249 48 N C -1.190 174.324 175.510 0.007 0.000 1.059 48 N CA 0.211 53.264 53.050 0.006 0.000 0.720 48 N CB -1.154 37.336 38.487 0.005 0.000 0.983 48 N HN 0.391 nan 8.380 nan 0.000 0.544 49 L N 0.457 121.684 121.223 0.008 0.000 2.361 49 L HA 0.275 4.613 4.340 -0.005 0.000 0.278 49 L C 1.304 178.181 176.870 0.011 0.000 1.113 49 L CA 0.470 55.316 54.840 0.010 0.000 0.849 49 L CB 0.571 42.636 42.059 0.010 0.000 1.155 49 L HN 0.237 nan 8.230 nan 0.000 0.452 50 R N 1.707 122.215 120.500 0.012 0.000 2.419 50 R HA 0.277 4.614 4.340 -0.005 0.000 0.235 50 R C -0.369 175.942 176.300 0.018 0.000 0.899 50 R CA 0.461 56.570 56.100 0.014 0.000 1.048 50 R CB 0.484 30.792 30.300 0.012 0.000 1.182 50 R HN 0.774 nan 8.270 nan 0.000 0.544 51 S N 0.501 116.211 115.700 0.018 0.000 2.579 51 S HA 0.667 5.134 4.470 -0.005 0.000 0.272 51 S C -1.098 173.514 174.600 0.020 0.000 1.141 51 S CA -1.039 57.174 58.200 0.022 0.000 0.843 51 S CB 2.048 65.262 63.200 0.023 0.000 1.122 51 S HN 0.070 nan 8.310 nan 0.000 0.468 52 L N -0.894 120.342 121.223 0.023 0.000 2.409 52 L HA 0.950 5.287 4.340 -0.005 0.000 0.255 52 L C -1.635 175.247 176.870 0.020 0.000 1.027 52 L CA -1.003 53.848 54.840 0.019 0.000 0.834 52 L CB 0.879 42.947 42.059 0.015 0.000 1.426 52 L HN 0.621 nan 8.230 nan 0.000 0.411 53 V N 1.897 121.820 119.914 0.015 0.000 2.680 53 V HA 0.622 4.740 4.120 -0.005 0.000 0.309 53 V C 0.078 176.174 176.094 0.004 0.000 1.052 53 V CA -0.509 61.799 62.300 0.013 0.000 0.908 53 V CB 2.176 34.006 31.823 0.012 0.000 1.001 53 V HN 0.646 nan 8.190 nan 0.000 0.431 54 L N 2.097 123.318 121.223 -0.002 0.000 2.341 54 L HA 0.602 4.940 4.340 -0.005 0.000 0.267 54 L C -0.652 176.205 176.870 -0.022 0.000 1.009 54 L CA -0.836 53.994 54.840 -0.017 0.000 0.819 54 L CB 2.299 44.338 42.059 -0.033 0.000 1.323 54 L HN 0.553 nan 8.230 nan 0.000 0.425 55 D N 1.407 121.789 120.400 -0.029 0.000 2.350 55 D HA 0.346 4.983 4.640 -0.005 0.000 0.249 55 D C -0.040 176.229 176.300 -0.052 0.000 1.119 55 D CA 0.331 54.311 54.000 -0.033 0.000 0.886 55 D CB 1.885 42.669 40.800 -0.027 0.000 1.195 55 D HN 0.612 nan 8.370 nan 0.000 0.437 56 T N -1.058 113.469 114.554 -0.045 0.000 2.883 56 T HA 0.610 4.958 4.350 -0.005 0.000 0.296 56 T C -0.712 173.968 174.700 -0.034 0.000 1.117 56 T CA -1.028 61.041 62.100 -0.053 0.000 1.006 56 T CB 2.740 71.581 68.868 -0.045 0.000 1.191 56 T HN 0.284 nan 8.240 nan 0.000 0.508 57 K N 0.780 121.165 120.400 -0.025 0.000 2.619 57 K HA 0.323 4.641 4.320 -0.005 0.000 0.251 57 K C -1.103 175.504 176.600 0.012 0.000 0.987 57 K CA -0.459 55.826 56.287 -0.003 0.000 0.844 57 K CB 0.861 33.367 32.500 0.009 0.000 1.237 57 K HN 0.808 nan 8.250 nan 0.000 0.447 58 D N 2.336 122.747 120.400 0.017 0.000 2.837 58 D HA -0.212 4.426 4.640 -0.005 0.000 0.230 58 D C -0.395 175.928 176.300 0.038 0.000 1.152 58 D CA 1.087 55.103 54.000 0.027 0.000 0.736 58 D CB -0.736 40.082 40.800 0.030 0.000 1.084 58 D HN 0.427 nan 8.370 nan 0.000 0.429 59 L N -0.147 121.098 121.223 0.037 0.000 2.344 59 L HA 0.399 4.736 4.340 -0.005 0.000 0.272 59 L C 0.909 177.823 176.870 0.073 0.000 1.035 59 L CA -0.368 54.512 54.840 0.066 0.000 0.807 59 L CB 1.696 43.776 42.059 0.035 0.000 1.237 59 L HN -0.222 nan 8.230 nan 0.000 0.442 60 T N 3.452 118.065 114.554 0.099 0.000 2.788 60 T HA 0.439 4.786 4.350 -0.005 0.000 0.296 60 T C -0.042 174.715 174.700 0.096 0.000 1.009 60 T CA -0.393 61.755 62.100 0.080 0.000 0.949 60 T CB 0.513 69.413 68.868 0.053 0.000 0.946 60 T HN 0.152 nan 8.240 nan 0.000 0.453 61 I N 3.625 124.245 120.570 0.084 0.000 2.352 61 I HA 0.218 4.385 4.170 -0.005 0.000 0.290 61 I C 1.440 177.595 176.117 0.062 0.000 1.036 61 I CA -0.206 61.114 61.300 0.033 0.000 1.336 61 I CB 1.126 39.068 38.000 -0.096 0.000 1.407 61 I HN 0.789 nan 8.210 nan 0.000 0.497 62 E N 7.103 127.321 120.200 0.029 0.000 2.075 62 E HA -0.011 4.337 4.350 -0.005 0.000 0.190 62 E C 0.129 176.775 176.600 0.078 0.000 0.969 62 E CA 0.808 57.238 56.400 0.051 0.000 0.815 62 E CB 0.597 30.305 29.700 0.014 0.000 0.776 62 E HN 0.708 nan 8.360 nan 0.000 0.457 63 K N -1.398 118.999 120.400 -0.006 0.000 2.642 63 K HA 0.421 4.738 4.320 -0.005 0.000 0.290 63 K C -1.707 174.830 176.600 -0.105 0.000 1.006 63 K CA -0.931 55.366 56.287 0.017 0.000 0.869 63 K CB 1.819 34.362 32.500 0.071 0.000 1.499 63 K HN -0.086 nan 8.250 nan 0.000 0.403 64 V N 1.332 121.211 119.914 -0.058 0.000 2.531 64 V HA 0.489 4.607 4.120 -0.005 0.000 0.301 64 V C -1.021 175.090 176.094 0.029 0.000 1.034 64 V CA -0.801 61.467 62.300 -0.055 0.000 0.865 64 V CB 1.718 33.479 31.823 -0.104 0.000 0.995 64 V HN 0.576 nan 8.190 nan 0.000 0.424 65 V N 6.270 126.198 119.914 0.023 0.000 2.487 65 V HA 0.595 4.713 4.120 -0.005 0.000 0.298 65 V C -0.435 175.678 176.094 0.032 0.000 1.028 65 V CA -0.366 61.954 62.300 0.034 0.000 0.860 65 V CB 1.824 33.666 31.823 0.032 0.000 0.991 65 V HN 0.718 nan 8.190 nan 0.000 0.427 66 I N 4.058 124.648 120.570 0.033 0.000 2.533 66 I HA 0.488 4.655 4.170 -0.005 0.000 0.290 66 I C -0.040 176.093 176.117 0.026 0.000 1.056 66 I CA -0.784 60.534 61.300 0.029 0.000 1.057 66 I CB 2.141 40.159 38.000 0.030 0.000 1.240 66 I HN 0.635 nan 8.210 nan 0.000 0.423 67 N N 4.616 123.329 118.700 0.022 0.000 2.716 67 N HA -0.214 4.524 4.740 -0.005 0.000 0.250 67 N C 0.959 176.479 175.510 0.018 0.000 1.033 67 N CA 1.303 54.363 53.050 0.017 0.000 0.727 67 N CB -1.070 37.426 38.487 0.015 0.000 0.950 67 N HN 1.204 nan 8.380 nan 0.000 0.541 68 G N -1.727 107.085 108.800 0.020 0.000 2.189 68 G HA2 -0.348 3.609 3.960 -0.005 0.000 0.267 68 G HA3 -0.348 3.609 3.960 -0.005 0.000 0.267 68 G C -0.106 174.807 174.900 0.022 0.000 0.975 68 G CA 0.891 46.003 45.100 0.020 0.000 0.644 68 G HN 0.529 nan 8.290 nan 0.000 0.537 69 Q N 0.338 120.153 119.800 0.025 0.000 2.301 69 Q HA 0.519 4.856 4.340 -0.005 0.000 0.267 69 Q C -0.123 175.900 176.000 0.038 0.000 1.035 69 Q CA -0.657 55.163 55.803 0.029 0.000 0.856 69 Q CB 1.427 30.181 28.738 0.026 0.000 1.337 69 Q HN 0.601 nan 8.270 nan 0.000 0.450 70 E N 0.988 121.214 120.200 0.045 0.000 2.360 70 E HA 0.295 4.642 4.350 -0.005 0.000 0.269 70 E C -0.072 176.572 176.600 0.073 0.000 1.022 70 E CA -0.326 56.113 56.400 0.065 0.000 0.887 70 E CB 1.034 30.777 29.700 0.071 0.000 0.990 70 E HN 0.396 nan 8.360 nan 0.000 0.426 71 V N -0.134 119.840 119.914 0.102 0.000 3.046 71 V HA 0.501 4.618 4.120 -0.005 0.000 0.316 71 V C -0.466 175.719 176.094 0.152 0.000 1.104 71 V CA -1.352 61.008 62.300 0.100 0.000 1.006 71 V CB 1.675 33.550 31.823 0.087 0.000 1.058 71 V HN 0.426 nan 8.190 nan 0.000 0.440 72 K N 2.360 122.817 120.400 0.095 0.000 2.326 72 K HA 0.551 4.868 4.320 -0.005 0.000 0.275 72 K C -0.765 175.916 176.600 0.136 0.000 1.018 72 K CA 0.257 56.574 56.287 0.049 0.000 0.962 72 K CB 0.445 32.941 32.500 -0.006 0.000 0.953 72 K HN 0.886 nan 8.250 nan 0.000 0.475 73 Y N -1.334 118.972 120.300 0.010 0.000 2.597 73 Y HA 0.769 5.316 4.550 -0.005 0.000 0.340 73 Y C -1.380 174.524 175.900 0.008 0.000 1.097 73 Y CA -1.590 56.516 58.100 0.010 0.000 1.037 73 Y CB 1.318 39.786 38.460 0.013 0.000 1.305 73 Y HN 0.503 nan 8.280 nan 0.000 0.463 74 A N 2.725 125.600 122.820 0.092 0.000 2.449 74 A HA 0.751 5.068 4.320 -0.005 0.000 0.302 74 A C -1.999 175.652 177.584 0.112 0.000 1.048 74 A CA -0.918 51.127 52.037 0.015 0.000 0.708 74 A CB 1.517 20.501 19.000 -0.027 0.000 1.274 74 A HN 0.836 nan 8.150 nan 0.000 0.410 75 L N 2.534 123.812 121.223 0.091 0.000 2.272 75 L HA 0.544 4.881 4.340 -0.005 0.000 0.289 75 L C 1.113 178.004 176.870 0.035 0.000 1.032 75 L CA -0.503 54.386 54.840 0.081 0.000 0.810 75 L CB 1.569 43.686 42.059 0.097 0.000 1.205 75 L HN 0.953 nan 8.230 nan 0.000 0.422 76 G N 1.980 110.795 108.800 0.024 0.000 2.563 76 G HA2 0.183 4.141 3.960 -0.005 0.000 0.283 76 G HA3 0.183 4.141 3.960 -0.005 0.000 0.283 76 G C -0.381 174.520 174.900 0.002 0.000 1.309 76 G CA -0.393 44.712 45.100 0.008 0.000 1.022 76 G HN 0.589 nan 8.290 nan 0.000 0.501 77 E N -0.828 119.369 120.200 -0.005 0.000 2.398 77 E HA 0.208 4.555 4.350 -0.005 0.000 0.263 77 E C 0.811 177.400 176.600 -0.017 0.000 1.046 77 E CA -0.225 56.170 56.400 -0.009 0.000 0.908 77 E CB 0.484 30.177 29.700 -0.011 0.000 0.963 77 E HN 0.395 nan 8.360 nan 0.000 0.431 78 R N 2.369 122.859 120.500 -0.017 0.000 2.570 78 R HA -0.023 4.314 4.340 -0.005 0.000 0.277 78 R C -0.391 175.880 176.300 -0.049 0.000 1.039 78 R CA 0.531 56.613 56.100 -0.030 0.000 1.065 78 R CB 0.372 30.660 30.300 -0.020 0.000 0.964 78 R HN 0.540 nan 8.270 nan 0.000 0.428 79 Q N 3.488 123.237 119.800 -0.084 0.000 2.788 79 Q HA 0.143 4.480 4.340 -0.005 0.000 0.278 79 Q C -0.165 175.712 176.000 -0.206 0.000 1.126 79 Q CA -0.333 55.395 55.803 -0.125 0.000 1.017 79 Q CB 1.248 29.904 28.738 -0.137 0.000 1.219 79 Q HN 0.958 nan 8.270 nan 0.000 0.503 80 S N 0.565 116.190 115.700 -0.127 0.000 3.736 80 S HA -0.347 4.120 4.470 -0.005 0.000 0.627 80 S C 0.938 175.454 174.600 -0.139 0.000 2.426 80 S CA 1.783 59.924 58.200 -0.099 0.000 4.022 80 S CB -1.004 62.152 63.200 -0.073 0.000 0.237 80 S HN 0.871 nan 8.310 nan 0.000 0.967 81 Y N 1.073 121.373 120.300 0.000 0.000 2.556 81 Y HA 0.113 4.658 4.550 -0.008 0.000 0.290 81 Y C 1.816 177.694 175.900 -0.037 0.000 1.149 81 Y CA 1.524 59.617 58.100 -0.012 0.000 1.329 81 Y CB -0.459 37.988 38.460 -0.021 0.000 0.975 81 Y HN 0.373 nan 8.280 nan 0.000 0.561 82 K N 0.857 120.918 120.400 -0.566 0.000 2.365 82 K HA 0.272 4.589 4.320 -0.005 0.000 0.197 82 K C 1.274 177.784 176.600 -0.150 0.000 1.042 82 K CA 0.529 56.622 56.287 -0.323 0.000 0.987 82 K CB -0.115 32.148 32.500 -0.395 0.000 0.779 82 K HN 0.593 nan 8.250 nan 0.000 0.484 83 G N 0.976 109.702 108.800 -0.124 0.000 2.568 83 G HA2 -0.218 3.739 3.960 -0.005 0.000 0.222 83 G HA3 -0.218 3.739 3.960 -0.005 0.000 0.222 83 G C -0.796 174.068 174.900 -0.061 0.000 1.321 83 G CA -0.519 44.543 45.100 -0.063 0.000 0.893 83 G HN 0.168 nan 8.290 nan 0.000 0.569 84 S N 2.688 118.367 115.700 -0.034 0.000 2.473 84 S HA 0.747 5.214 4.470 -0.005 0.000 0.307 84 S C -2.579 172.012 174.600 -0.015 0.000 1.094 84 S CA -0.805 57.382 58.200 -0.022 0.000 1.070 84 S CB 2.531 65.730 63.200 -0.003 0.000 1.019 84 S HN 0.755 nan 8.310 nan 0.000 0.480 85 P HA 0.239 nan 4.420 nan 0.000 0.278 85 P C -1.046 176.264 177.300 0.018 0.000 1.238 85 P CA -0.473 62.626 63.100 -0.003 0.000 0.794 85 P CB 0.552 32.250 31.700 -0.004 0.000 0.955 86 M N 2.329 121.942 119.600 0.022 0.000 2.018 86 M HA 0.231 4.709 4.480 -0.005 0.000 0.311 86 M C -0.224 176.109 176.300 0.056 0.000 0.928 86 M CA -0.556 54.776 55.300 0.052 0.000 0.911 86 M CB 0.731 33.347 32.600 0.028 0.000 1.447 86 M HN 0.320 nan 8.290 nan 0.000 0.407 87 E N 5.141 125.385 120.200 0.074 0.000 2.194 87 E HA 0.370 4.717 4.350 -0.005 0.000 0.284 87 E C -1.402 175.260 176.600 0.103 0.000 1.035 87 E CA -0.320 56.119 56.400 0.065 0.000 0.836 87 E CB 0.885 30.612 29.700 0.045 0.000 1.070 87 E HN 0.705 nan 8.360 nan 0.000 0.401 88 I N 3.367 123.986 120.570 0.083 0.000 2.377 88 I HA 0.157 4.324 4.170 -0.005 0.000 0.293 88 I C -0.170 175.990 176.117 0.072 0.000 0.987 88 I CA -0.575 60.786 61.300 0.101 0.000 1.185 88 I CB 1.988 40.029 38.000 0.068 0.000 1.341 88 I HN 0.386 nan 8.210 nan 0.000 0.455 89 S N 7.024 122.770 115.700 0.077 0.000 2.410 89 S HA 0.454 4.922 4.470 -0.005 0.000 0.304 89 S C -0.050 174.578 174.600 0.046 0.000 1.095 89 S CA -0.643 57.587 58.200 0.049 0.000 1.089 89 S CB 0.178 63.402 63.200 0.039 0.000 0.968 89 S HN 0.321 nan 8.310 nan 0.000 0.480 90 L N 5.842 127.086 121.223 0.035 0.000 2.453 90 L HA 0.204 4.541 4.340 -0.005 0.000 0.272 90 L C -0.822 176.064 176.870 0.026 0.000 1.182 90 L CA -1.342 53.517 54.840 0.031 0.000 0.858 90 L CB 0.166 42.239 42.059 0.024 0.000 1.120 90 L HN 0.437 nan 8.230 nan 0.000 0.474 91 P HA 0.017 nan 4.420 nan 0.000 0.230 91 P C 0.036 177.346 177.300 0.017 0.000 1.158 91 P CA 1.119 64.232 63.100 0.022 0.000 0.769 91 P CB 0.412 32.126 31.700 0.023 0.000 0.807 92 I N -1.207 119.372 120.570 0.016 0.000 2.644 92 I HA 0.411 4.579 4.170 -0.005 0.000 0.291 92 I C -0.255 175.869 176.117 0.012 0.000 1.180 92 I CA -1.594 59.713 61.300 0.012 0.000 1.040 92 I CB 2.108 40.115 38.000 0.010 0.000 1.255 92 I HN -0.245 nan 8.210 nan 0.000 0.422 93 A N 6.936 129.762 122.820 0.010 0.000 2.531 93 A HA 0.500 4.817 4.320 -0.005 0.000 0.236 93 A C -0.341 177.248 177.584 0.008 0.000 1.062 93 A CA 0.349 52.391 52.037 0.009 0.000 0.760 93 A CB 0.176 19.181 19.000 0.008 0.000 0.995 93 A HN 0.668 nan 8.150 nan 0.000 0.501 94 L N 2.164 123.392 121.223 0.008 0.000 2.334 94 L HA 0.484 4.821 4.340 -0.005 0.000 0.273 94 L C 0.747 177.620 176.870 0.006 0.000 1.013 94 L CA -0.616 54.229 54.840 0.007 0.000 0.816 94 L CB 1.986 44.050 42.059 0.009 0.000 1.278 94 L HN 0.896 nan 8.230 nan 0.000 0.431 95 S N 0.952 116.655 115.700 0.004 0.000 2.693 95 S HA 0.333 4.800 4.470 -0.005 0.000 0.276 95 S C -0.260 174.342 174.600 0.003 0.000 1.192 95 S CA -0.928 57.274 58.200 0.003 0.000 0.994 95 S CB 1.547 64.748 63.200 0.002 0.000 1.012 95 S HN 0.546 nan 8.310 nan 0.000 0.550 96 K N 0.757 121.158 120.400 0.002 0.000 2.489 96 K HA -0.040 4.278 4.320 -0.005 0.000 0.278 96 K C -0.052 176.548 176.600 0.000 0.000 1.000 96 K CA 0.518 56.806 56.287 0.002 0.000 1.012 96 K CB -0.148 32.352 32.500 0.001 0.000 0.903 96 K HN 0.738 nan 8.250 nan 0.000 0.485 97 N N 1.017 119.718 118.700 0.000 0.000 2.936 97 N HA -0.235 4.502 4.740 -0.005 0.000 0.236 97 N C -0.385 175.125 175.510 -0.001 0.000 0.930 97 N CA 0.984 54.033 53.050 -0.001 0.000 0.966 97 N CB -0.841 37.643 38.487 -0.004 0.000 1.090 97 N HN 0.734 nan 8.380 nan 0.000 0.592 98 Q N 1.099 120.899 119.800 0.001 0.000 2.332 98 Q HA 0.185 4.522 4.340 -0.005 0.000 0.263 98 Q C -0.449 175.553 176.000 0.004 0.000 0.979 98 Q CA 0.401 56.204 55.803 0.001 0.000 0.885 98 Q CB 0.607 29.347 28.738 0.003 0.000 1.218 98 Q HN 0.168 nan 8.270 nan 0.000 0.405 99 E N 3.817 124.019 120.200 0.003 0.000 2.207 99 E HA 0.556 4.903 4.350 -0.005 0.000 0.270 99 E C -0.694 175.912 176.600 0.009 0.000 0.927 99 E CA -0.670 55.734 56.400 0.007 0.000 0.799 99 E CB 1.634 31.337 29.700 0.005 0.000 1.172 99 E HN 0.576 nan 8.360 nan 0.000 0.404 100 I N -2.320 118.259 120.570 0.015 0.000 2.994 100 I HA 0.538 4.705 4.170 -0.005 0.000 0.306 100 I C -0.976 175.156 176.117 0.026 0.000 1.195 100 I CA -1.350 59.960 61.300 0.017 0.000 1.001 100 I CB 1.847 39.857 38.000 0.017 0.000 1.244 100 I HN 0.147 nan 8.210 nan 0.000 0.437 101 V N 4.748 124.678 119.914 0.028 0.000 2.407 101 V HA 0.446 4.563 4.120 -0.005 0.000 0.278 101 V C 0.084 176.201 176.094 0.038 0.000 1.037 101 V CA -0.273 62.051 62.300 0.040 0.000 0.900 101 V CB 1.071 32.920 31.823 0.044 0.000 0.983 101 V HN 0.473 nan 8.190 nan 0.000 0.459 102 I N 4.037 124.631 120.570 0.039 0.000 2.339 102 I HA 0.416 4.584 4.170 -0.005 0.000 0.290 102 I C 0.135 176.274 176.117 0.037 0.000 0.994 102 I CA -0.288 61.031 61.300 0.031 0.000 1.191 102 I CB 1.552 39.564 38.000 0.020 0.000 1.343 102 I HN 0.648 nan 8.210 nan 0.000 0.458 103 E N 7.396 127.618 120.200 0.037 0.000 2.109 103 E HA 0.488 4.836 4.350 -0.005 0.000 0.278 103 E C -1.119 175.499 176.600 0.030 0.000 0.954 103 E CA -0.563 55.865 56.400 0.047 0.000 0.779 103 E CB 0.943 30.676 29.700 0.054 0.000 1.093 103 E HN 0.490 nan 8.360 nan 0.000 0.401 104 I N 3.443 124.040 120.570 0.044 0.000 2.355 104 I HA 0.190 4.358 4.170 -0.005 0.000 0.288 104 I C -0.194 175.997 176.117 0.124 0.000 0.999 104 I CA -0.561 60.759 61.300 0.033 0.000 1.163 104 I CB 1.922 39.916 38.000 -0.010 0.000 1.316 104 I HN 0.343 nan 8.210 nan 0.000 0.454 105 S N 6.949 122.680 115.700 0.052 0.000 2.474 105 S HA 0.567 5.034 4.470 -0.005 0.000 0.276 105 S C -0.458 174.180 174.600 0.064 0.000 1.227 105 S CA -0.401 57.813 58.200 0.024 0.000 1.050 105 S CB 0.034 63.222 63.200 -0.020 0.000 0.939 105 S HN 0.469 nan 8.310 nan 0.000 0.490 106 F N 0.592 120.512 119.950 -0.050 0.000 2.664 106 F HA 0.829 5.353 4.527 -0.004 0.000 0.317 106 F C -0.695 175.088 175.800 -0.028 0.000 1.108 106 F CA -1.205 56.767 58.000 -0.047 0.000 0.957 106 F CB 1.349 40.316 39.000 -0.055 0.000 1.365 106 F HN 0.435 nan 8.300 nan 0.000 0.475 107 E N 0.769 121.012 120.200 0.071 0.000 2.331 107 E HA 0.411 4.758 4.350 -0.005 0.000 0.275 107 E C -1.339 175.380 176.600 0.198 0.000 0.895 107 E CA -0.870 55.529 56.400 -0.001 0.000 0.753 107 E CB 2.362 32.030 29.700 -0.053 0.000 1.216 107 E HN 0.947 nan 8.360 nan 0.000 0.434 108 T N 0.505 115.178 114.554 0.197 0.000 2.849 108 T HA 0.321 4.668 4.350 -0.005 0.000 0.284 108 T C 0.432 175.184 174.700 0.086 0.000 1.004 108 T CA -0.682 61.525 62.100 0.178 0.000 1.021 108 T CB 1.559 70.555 68.868 0.213 0.000 1.013 108 T HN 0.270 nan 8.240 nan 0.000 0.527 109 S N 1.136 116.877 115.700 0.068 0.000 2.610 109 S HA 0.370 4.838 4.470 -0.005 0.000 0.273 109 S C -1.622 172.981 174.600 0.006 0.000 1.274 109 S CA -1.687 56.524 58.200 0.018 0.000 1.023 109 S CB 0.472 63.683 63.200 0.018 0.000 0.962 109 S HN 0.579 nan 8.310 nan 0.000 0.523 110 P HA -0.083 nan 4.420 nan 0.000 0.219 110 P C 0.508 177.794 177.300 -0.024 0.000 1.146 110 P CA 1.220 64.216 63.100 -0.174 0.000 0.808 110 P CB 0.000 31.566 31.700 -0.224 0.000 0.779 111 K N -1.117 119.279 120.400 -0.006 0.000 2.410 111 K HA 0.167 4.485 4.320 -0.005 0.000 0.200 111 K C 0.445 177.056 176.600 0.018 0.000 1.023 111 K CA -0.245 56.046 56.287 0.006 0.000 1.149 111 K CB -0.206 32.289 32.500 -0.009 0.000 0.859 111 K HN -0.228 nan 8.250 nan 0.000 0.514 112 S N 1.668 117.399 115.700 0.052 0.000 2.931 112 S HA -0.106 4.362 4.470 -0.005 0.000 0.342 112 S C 1.136 175.720 174.600 -0.027 0.000 1.220 112 S CA 0.352 58.578 58.200 0.043 0.000 1.045 112 S CB 0.212 63.464 63.200 0.086 0.000 0.758 112 S HN 0.602 nan 8.310 nan 0.000 0.508 113 S N 4.149 119.836 115.700 -0.022 0.000 2.515 113 S HA 0.041 4.509 4.470 -0.005 0.000 0.231 113 S C 1.589 176.008 174.600 -0.301 0.000 0.987 113 S CA 0.434 58.560 58.200 -0.123 0.000 0.936 113 S CB -0.212 63.010 63.200 0.037 0.000 0.766 113 S HN 0.941 nan 8.310 nan 0.000 0.528 114 A N 0.669 123.407 122.820 -0.136 0.000 2.218 114 A HA 0.542 4.859 4.320 -0.005 0.000 0.209 114 A C 0.673 178.179 177.584 -0.130 0.000 1.168 114 A CA -0.068 51.906 52.037 -0.107 0.000 0.804 114 A CB -0.111 18.902 19.000 0.022 0.000 0.834 114 A HN 0.539 nan 8.150 nan 0.000 0.482 115 L N -0.552 120.544 121.223 -0.212 0.000 2.354 115 L HA 0.516 4.853 4.340 -0.005 0.000 0.269 115 L C -0.344 176.230 176.870 -0.493 0.000 1.005 115 L CA -0.566 54.073 54.840 -0.334 0.000 0.819 115 L CB 1.956 43.837 42.059 -0.297 0.000 1.311 115 L HN 0.266 nan 8.230 nan 0.000 0.423 116 Q N 1.521 120.892 119.800 -0.715 0.000 2.310 116 Q HA 0.360 4.697 4.340 -0.005 0.000 0.270 116 Q C -2.011 173.690 176.000 -0.498 0.000 1.025 116 Q CA -0.612 54.834 55.803 -0.596 0.000 0.772 116 Q CB 1.698 30.063 28.738 -0.622 0.000 1.253 116 Q HN 0.502 nan 8.270 nan 0.000 0.450 117 W N 5.175 126.390 121.300 -0.142 0.000 2.391 117 W HA 0.517 5.174 4.660 -0.005 0.000 0.311 117 W C -0.858 175.710 176.519 0.082 0.000 1.087 117 W CA -0.415 56.941 57.345 0.019 0.000 1.209 117 W CB 0.911 30.380 29.460 0.015 0.000 1.273 117 W HN 0.435 nan 8.180 nan 0.000 0.482 118 L N 3.345 124.789 121.223 0.368 0.000 2.362 118 L HA 0.597 4.935 4.340 -0.005 0.000 0.271 118 L C 0.757 177.784 176.870 0.262 0.000 1.002 118 L CA -1.151 53.852 54.840 0.271 0.000 0.818 118 L CB 1.617 43.820 42.059 0.240 0.000 1.298 118 L HN 0.415 nan 8.230 nan 0.000 0.420 119 T N -1.575 113.086 114.554 0.178 0.000 2.766 119 T HA 0.204 4.551 4.350 -0.005 0.000 0.295 119 T C -1.922 172.838 174.700 0.100 0.000 1.024 119 T CA -1.327 60.850 62.100 0.127 0.000 1.018 119 T CB 0.782 69.701 68.868 0.085 0.000 1.002 119 T HN 0.348 nan 8.240 nan 0.000 0.532 120 P HA -0.089 nan 4.420 nan 0.000 0.216 120 P C 1.449 178.771 177.300 0.037 0.000 1.153 120 P CA 0.976 64.096 63.100 0.034 0.000 0.858 120 P CB 0.027 31.718 31.700 -0.014 0.000 0.789 121 E N -0.630 119.591 120.200 0.034 0.000 2.418 121 E HA -0.113 4.234 4.350 -0.005 0.000 0.197 121 E C 1.627 178.252 176.600 0.042 0.000 1.026 121 E CA 0.798 57.217 56.400 0.031 0.000 0.862 121 E CB -0.481 29.234 29.700 0.024 0.000 0.799 121 E HN 0.507 nan 8.360 nan 0.000 0.518 122 Q N 0.380 120.215 119.800 0.058 0.000 2.360 122 Q HA 0.032 4.370 4.340 -0.005 0.000 0.202 122 Q C 0.663 176.684 176.000 0.035 0.000 0.915 122 Q CA 0.320 56.161 55.803 0.062 0.000 0.943 122 Q CB 0.416 29.209 28.738 0.092 0.000 1.064 122 Q HN 0.202 nan 8.270 nan 0.000 0.511 123 T N -4.460 110.111 114.554 0.029 0.000 2.922 123 T HA 0.321 4.669 4.350 -0.005 0.000 0.281 123 T C 1.068 175.773 174.700 0.009 0.000 1.005 123 T CA -0.647 61.452 62.100 -0.002 0.000 0.982 123 T CB 1.673 70.572 68.868 0.052 0.000 1.158 123 T HN -0.206 nan 8.240 nan 0.000 0.566 124 S N -0.008 115.696 115.700 0.006 0.000 2.371 124 S HA 0.108 4.575 4.470 -0.005 0.000 0.224 124 S C 2.147 176.766 174.600 0.032 0.000 1.029 124 S CA 1.152 59.362 58.200 0.018 0.000 0.978 124 S CB -0.856 62.356 63.200 0.020 0.000 0.833 124 S HN 0.933 nan 8.310 nan 0.000 0.466 125 G N 0.320 109.152 108.800 0.053 0.000 2.539 125 G HA2 0.030 3.987 3.960 -0.005 0.000 0.215 125 G HA3 0.030 3.987 3.960 -0.005 0.000 0.215 125 G C 0.337 175.254 174.900 0.029 0.000 1.141 125 G CA 0.190 45.324 45.100 0.057 0.000 0.806 125 G HN 0.279 nan 8.290 nan 0.000 0.533 126 K N -0.442 119.972 120.400 0.023 0.000 3.446 126 K HA -0.184 4.133 4.320 -0.005 0.000 0.312 126 K C 0.905 177.475 176.600 -0.050 0.000 1.329 126 K CA 1.598 57.883 56.287 -0.003 0.000 0.935 126 K CB -1.770 30.729 32.500 -0.003 0.000 1.281 126 K HN 0.662 nan 8.250 nan 0.000 0.457 127 E N -0.533 119.608 120.200 -0.098 0.000 2.364 127 E HA 0.091 4.438 4.350 -0.005 0.000 0.203 127 E C 0.346 176.679 176.600 -0.446 0.000 0.888 127 E CA -0.028 56.197 56.400 -0.292 0.000 0.989 127 E CB 0.339 29.798 29.700 -0.402 0.000 0.985 127 E HN 0.358 nan 8.360 nan 0.000 0.499 128 H N 1.295 120.362 119.070 -0.004 0.000 2.569 128 H HA 0.324 4.877 4.556 -0.005 0.000 0.357 128 H C -2.262 173.037 175.328 -0.050 0.000 1.153 128 H CA -2.185 53.833 56.048 -0.050 0.000 1.193 128 H CB 1.654 31.386 29.762 -0.050 0.000 1.602 128 H HN 0.002 nan 8.280 nan 0.000 0.523 129 P HA 0.142 nan 4.420 nan 0.000 0.279 129 P C -1.072 176.233 177.300 0.009 0.000 1.282 129 P CA -0.171 62.898 63.100 -0.050 0.000 0.788 129 P CB 1.472 33.026 31.700 -0.242 0.000 1.139 130 Y N -0.592 119.775 120.300 0.111 0.000 2.552 130 Y HA 0.562 5.109 4.550 -0.005 0.000 0.337 130 Y C -1.610 174.476 175.900 0.311 0.000 1.094 130 Y CA -1.066 57.158 58.100 0.207 0.000 1.028 130 Y CB 1.685 40.245 38.460 0.166 0.000 1.321 130 Y HN 0.304 nan 8.280 nan 0.000 0.456 131 L N 6.959 128.302 121.223 0.199 0.000 2.408 131 L HA 0.815 5.152 4.340 -0.005 0.000 0.268 131 L C -1.988 174.851 176.870 -0.052 0.000 0.986 131 L CA -0.755 53.990 54.840 -0.157 0.000 0.820 131 L CB 1.576 43.270 42.059 -0.608 0.000 1.303 131 L HN 0.486 nan 8.230 nan 0.000 0.411 132 F N 1.647 121.562 119.950 -0.059 0.000 2.613 132 F HA 0.905 5.429 4.527 -0.005 0.000 0.310 132 F C -0.650 175.192 175.800 0.070 0.000 1.085 132 F CA -0.523 57.508 58.000 0.052 0.000 0.945 132 F CB 1.216 40.351 39.000 0.225 0.000 1.298 132 F HN 0.611 nan 8.300 nan 0.000 0.455 133 S N 1.865 117.778 115.700 0.355 0.000 2.681 133 S HA 0.727 5.195 4.470 -0.005 0.000 0.299 133 S C -1.127 173.715 174.600 0.403 0.000 1.113 133 S CA -0.580 57.745 58.200 0.209 0.000 1.013 133 S CB 1.965 65.189 63.200 0.040 0.000 1.076 133 S HN 0.911 nan 8.310 nan 0.000 0.534 134 Q N 0.553 120.504 119.800 0.252 0.000 2.526 134 Q HA 0.340 4.677 4.340 -0.005 0.000 0.238 134 Q C -0.615 175.457 176.000 0.120 0.000 0.866 134 Q CA -0.446 55.492 55.803 0.226 0.000 0.801 134 Q CB 1.093 30.030 28.738 0.332 0.000 1.380 134 Q HN 0.927 nan 8.270 nan 0.000 0.446 135 C N 1.353 120.701 119.300 0.079 0.000 2.512 135 C HA 0.131 4.588 4.460 -0.005 0.000 0.276 135 C C 1.292 176.335 174.990 0.089 0.000 1.368 135 C CA 0.151 59.233 59.018 0.106 0.000 1.755 135 C CB -0.023 27.751 27.740 0.057 0.000 2.008 135 C HN 0.652 nan 8.230 nan 0.000 0.511 136 Q N 0.428 120.232 119.800 0.008 0.000 2.313 136 Q HA 0.343 4.681 4.340 -0.005 0.000 0.266 136 Q C 0.791 176.566 176.000 -0.375 0.000 0.989 136 Q CA 0.205 55.861 55.803 -0.244 0.000 0.890 136 Q CB 0.954 29.523 28.738 -0.282 0.000 1.200 136 Q HN 0.506 nan 8.270 nan 0.000 0.396 137 A N 4.929 127.320 122.820 -0.716 0.000 1.901 137 A HA 0.070 4.387 4.320 -0.005 0.000 0.210 137 A C 1.146 178.342 177.584 -0.646 0.000 1.208 137 A CA 0.714 51.994 52.037 -1.262 0.000 0.644 137 A CB 0.065 17.791 19.000 -2.123 0.000 0.863 137 A HN 0.825 nan 8.150 nan 0.000 0.454 138 I N -4.973 115.235 120.570 -0.602 0.000 3.061 138 I HA 0.457 4.624 4.170 -0.005 0.000 0.341 138 I C 0.127 176.005 176.117 -0.400 0.000 1.457 138 I CA -0.329 60.766 61.300 -0.343 0.000 0.921 138 I CB 0.218 38.081 38.000 -0.228 0.000 1.845 138 I HN 0.089 nan 8.210 nan 0.000 0.535 139 H N -0.225 118.808 119.070 -0.060 0.000 2.827 139 H HA 0.186 4.739 4.556 -0.004 0.000 0.269 139 H C 1.825 177.132 175.328 -0.035 0.000 1.031 139 H CA 0.050 56.074 56.048 -0.039 0.000 1.202 139 H CB 0.709 30.450 29.762 -0.034 0.000 1.511 139 H HN 0.682 nan 8.280 nan 0.000 0.517 140 C N 2.253 121.583 119.300 0.050 0.000 2.422 140 C HA -0.118 4.339 4.460 -0.005 0.000 0.279 140 C C 2.930 177.891 174.990 -0.049 0.000 1.305 140 C CA 1.063 60.077 59.018 -0.006 0.000 1.757 140 C CB -0.708 27.021 27.740 -0.018 0.000 1.962 140 C HN 0.617 nan 8.230 nan 0.000 0.499 141 R N 0.934 121.412 120.500 -0.038 0.000 2.241 141 R HA 0.021 4.359 4.340 -0.005 0.000 0.224 141 R C 1.729 177.994 176.300 -0.059 0.000 1.101 141 R CA 1.559 57.620 56.100 -0.064 0.000 0.995 141 R CB -0.581 29.692 30.300 -0.045 0.000 0.870 141 R HN 0.491 nan 8.270 nan 0.000 0.463 142 A N 0.669 123.482 122.820 -0.012 0.000 2.251 142 A HA 0.249 4.566 4.320 -0.005 0.000 0.209 142 A C 1.685 179.267 177.584 -0.003 0.000 1.187 142 A CA 0.088 52.133 52.037 0.014 0.000 0.823 142 A CB -0.025 19.021 19.000 0.078 0.000 0.846 142 A HN 0.322 nan 8.150 nan 0.000 0.486 143 I N -1.260 119.275 120.570 -0.059 0.000 3.443 143 I HA 0.215 4.382 4.170 -0.005 0.000 0.277 143 I C -0.023 175.926 176.117 -0.280 0.000 1.169 143 I CA 0.314 61.570 61.300 -0.073 0.000 1.419 143 I CB 0.519 38.473 38.000 -0.077 0.000 1.331 143 I HN 0.356 nan 8.210 nan 0.000 0.458 144 L N -2.522 118.450 121.223 -0.420 0.000 2.540 144 L HA 0.680 5.017 4.340 -0.005 0.000 0.256 144 L C -3.157 173.430 176.870 -0.472 0.000 1.001 144 L CA -1.994 52.365 54.840 -0.801 0.000 0.843 144 L CB 0.765 42.389 42.059 -0.724 0.000 1.436 144 L HN -0.286 nan 8.230 nan 0.000 0.410 145 P HA 0.400 nan 4.420 nan 0.000 0.276 145 P C -0.937 176.256 177.300 -0.177 0.000 1.235 145 P CA -0.322 62.633 63.100 -0.241 0.000 0.772 145 P CB 0.747 32.329 31.700 -0.196 0.000 0.871 146 C N 0.860 120.089 119.300 -0.119 0.000 3.306 146 C HA 0.421 4.878 4.460 -0.005 0.000 0.335 146 C C -0.699 174.263 174.990 -0.046 0.000 1.382 146 C CA -0.966 58.002 59.018 -0.085 0.000 1.254 146 C CB 0.836 28.518 27.740 -0.096 0.000 1.555 146 C HN 0.472 nan 8.230 nan 0.000 0.463 147 Q N 1.119 120.903 119.800 -0.026 0.000 2.402 147 Q HA 0.249 4.587 4.340 -0.005 0.000 0.238 147 Q C -0.745 175.263 176.000 0.012 0.000 1.126 147 Q CA 0.331 56.131 55.803 -0.005 0.000 0.904 147 Q CB 0.392 29.130 28.738 0.001 0.000 1.357 147 Q HN 0.626 nan 8.270 nan 0.000 0.491 148 D N 2.593 123.008 120.400 0.024 0.000 2.631 148 D HA 0.079 4.717 4.640 -0.005 0.000 0.227 148 D C -1.075 175.299 176.300 0.124 0.000 1.146 148 D CA 0.117 54.154 54.000 0.061 0.000 1.009 148 D CB 0.276 41.097 40.800 0.035 0.000 1.057 148 D HN 0.326 nan 8.370 nan 0.000 0.509 149 T N 1.255 115.877 114.554 0.114 0.000 3.041 149 T HA 0.355 4.702 4.350 -0.005 0.000 0.321 149 T C -2.426 172.303 174.700 0.049 0.000 1.184 149 T CA -1.512 60.638 62.100 0.084 0.000 1.050 149 T CB 1.947 70.833 68.868 0.030 0.000 1.159 149 T HN -0.080 nan 8.240 nan 0.000 0.469 150 P HA 0.056 nan 4.420 nan 0.000 0.242 150 P C 1.114 178.372 177.300 -0.069 0.000 1.197 150 P CA 0.325 63.404 63.100 -0.036 0.000 0.765 150 P CB -0.060 31.452 31.700 -0.314 0.000 0.936 151 S N -1.742 113.913 115.700 -0.075 0.000 2.603 151 S HA 0.102 4.569 4.470 -0.005 0.000 0.220 151 S C 0.708 175.295 174.600 -0.023 0.000 0.967 151 S CA -0.095 58.072 58.200 -0.055 0.000 0.920 151 S CB -0.556 62.615 63.200 -0.049 0.000 0.773 151 S HN -0.075 nan 8.310 nan 0.000 0.529 152 V N 1.406 121.314 119.914 -0.009 0.000 2.656 152 V HA 0.508 4.625 4.120 -0.005 0.000 0.307 152 V C -0.664 175.434 176.094 0.007 0.000 1.051 152 V CA -0.796 61.505 62.300 0.003 0.000 0.893 152 V CB 2.112 33.939 31.823 0.007 0.000 0.999 152 V HN 0.214 nan 8.190 nan 0.000 0.426 153 K N 5.274 125.683 120.400 0.015 0.000 2.397 153 K HA 0.828 5.146 4.320 -0.005 0.000 0.253 153 K C -1.373 175.248 176.600 0.035 0.000 0.932 153 K CA -0.649 55.653 56.287 0.025 0.000 0.795 153 K CB 2.572 35.096 32.500 0.040 0.000 1.159 153 K HN 0.657 nan 8.250 nan 0.000 0.424 154 L N -1.215 120.035 121.223 0.046 0.000 2.415 154 L HA 0.642 4.979 4.340 -0.005 0.000 0.256 154 L C -0.058 176.865 176.870 0.088 0.000 1.010 154 L CA -0.945 53.931 54.840 0.060 0.000 0.826 154 L CB 1.832 43.913 42.059 0.037 0.000 1.405 154 L HN 0.580 nan 8.230 nan 0.000 0.410 155 T N -1.339 113.281 114.554 0.110 0.000 2.862 155 T HA 0.731 5.079 4.350 -0.005 0.000 0.276 155 T C -0.639 174.060 174.700 -0.001 0.000 0.974 155 T CA -0.312 61.856 62.100 0.113 0.000 0.966 155 T CB 1.277 70.261 68.868 0.194 0.000 1.072 155 T HN 0.946 nan 8.240 nan 0.000 0.538 156 Y N -1.904 118.297 120.300 -0.166 0.000 2.656 156 Y HA 0.698 5.245 4.550 -0.004 0.000 0.334 156 Y C -1.035 174.833 175.900 -0.052 0.000 1.179 156 Y CA -1.123 56.748 58.100 -0.381 0.000 1.050 156 Y CB 0.974 39.292 38.460 -0.237 0.000 1.308 156 Y HN 1.063 nan 8.280 nan 0.000 0.456 157 T N -0.018 114.701 114.554 0.275 0.000 2.900 157 T HA 0.974 5.321 4.350 -0.005 0.000 0.303 157 T C -0.996 173.921 174.700 0.361 0.000 1.142 157 T CA -0.250 62.073 62.100 0.371 0.000 1.007 157 T CB 1.604 70.778 68.868 0.510 0.000 1.156 157 T HN 1.777 nan 8.240 nan 0.000 0.490 158 A N 1.252 124.264 122.820 0.321 0.000 2.606 158 A HA 0.815 5.132 4.320 -0.005 0.000 0.293 158 A C -1.437 176.288 177.584 0.235 0.000 1.082 158 A CA -0.968 51.173 52.037 0.173 0.000 0.685 158 A CB 1.598 20.765 19.000 0.278 0.000 1.284 158 A HN 0.866 nan 8.150 nan 0.000 0.408 159 E N 0.416 120.691 120.200 0.125 0.000 2.260 159 E HA 0.518 4.865 4.350 -0.005 0.000 0.266 159 E C -1.644 175.045 176.600 0.148 0.000 0.887 159 E CA -0.619 55.868 56.400 0.145 0.000 0.777 159 E CB 2.425 32.195 29.700 0.116 0.000 1.205 159 E HN 0.343 nan 8.360 nan 0.000 0.414 160 V N 2.325 122.372 119.914 0.221 0.000 2.409 160 V HA 0.253 4.370 4.120 -0.005 0.000 0.290 160 V C -0.140 176.074 176.094 0.200 0.000 1.017 160 V CA -0.691 61.735 62.300 0.210 0.000 0.841 160 V CB 1.569 33.556 31.823 0.273 0.000 1.003 160 V HN 0.603 nan 8.190 nan 0.000 0.426 161 S N 4.733 120.509 115.700 0.127 0.000 2.513 161 S HA 0.745 5.212 4.470 -0.005 0.000 0.276 161 S C -0.428 174.259 174.600 0.145 0.000 1.254 161 S CA -0.343 57.930 58.200 0.121 0.000 1.053 161 S CB 1.019 64.262 63.200 0.071 0.000 0.958 161 S HN 1.154 nan 8.310 nan 0.000 0.491 162 V N 2.329 122.358 119.914 0.191 0.000 3.049 162 V HA 0.722 4.840 4.120 -0.005 0.000 0.309 162 V C -3.055 173.167 176.094 0.214 0.000 1.148 162 V CA -2.868 59.569 62.300 0.229 0.000 0.990 162 V CB 1.160 33.142 31.823 0.265 0.000 1.039 162 V HN 0.634 nan 8.190 nan 0.000 0.430 163 P HA 0.025 nan 4.420 nan 0.000 0.261 163 P C 0.540 177.921 177.300 0.134 0.000 1.165 163 P CA 0.465 63.667 63.100 0.169 0.000 0.759 163 P CB 0.289 32.088 31.700 0.166 0.000 0.772 164 K N 4.115 124.575 120.400 0.099 0.000 2.360 164 K HA -0.162 4.155 4.320 -0.005 0.000 0.201 164 K C 1.064 177.708 176.600 0.074 0.000 1.046 164 K CA 1.228 57.566 56.287 0.085 0.000 0.945 164 K CB -0.207 32.322 32.500 0.049 0.000 0.750 164 K HN 0.383 nan 8.250 nan 0.000 0.464 165 E N 1.439 121.659 120.200 0.034 0.000 2.489 165 E HA 0.032 4.379 4.350 -0.005 0.000 0.193 165 E C 0.443 176.972 176.600 -0.119 0.000 1.057 165 E CA 0.072 56.450 56.400 -0.037 0.000 0.866 165 E CB -0.128 29.537 29.700 -0.057 0.000 0.916 165 E HN 0.386 nan 8.360 nan 0.000 0.500 166 L N 0.424 121.622 121.223 -0.041 0.000 2.335 166 L HA 0.530 4.867 4.340 -0.005 0.000 0.268 166 L C -0.140 176.755 176.870 0.041 0.000 1.016 166 L CA -1.360 53.448 54.840 -0.053 0.000 0.805 166 L CB 1.744 43.775 42.059 -0.045 0.000 1.311 166 L HN -0.243 nan 8.230 nan 0.000 0.456 167 V N 0.353 120.207 119.914 -0.100 0.000 2.540 167 V HA 0.646 4.764 4.120 -0.005 0.000 0.302 167 V C -0.062 175.720 176.094 -0.520 0.000 1.035 167 V CA -0.609 61.486 62.300 -0.342 0.000 0.873 167 V CB 1.699 33.412 31.823 -0.183 0.000 0.992 167 V HN 0.846 nan 8.190 nan 0.000 0.428 168 A N 5.861 128.106 122.820 -0.960 0.000 2.306 168 A HA 0.941 5.258 4.320 -0.005 0.000 0.314 168 A C -0.879 176.482 177.584 -0.371 0.000 1.164 168 A CA -0.422 51.314 52.037 -0.502 0.000 0.822 168 A CB 0.661 19.573 19.000 -0.147 0.000 1.130 168 A HN 0.787 nan 8.150 nan 0.000 0.496 169 L N 1.893 122.890 121.223 -0.377 0.000 2.409 169 L HA 0.643 4.981 4.340 -0.005 0.000 0.262 169 L C -0.309 176.193 176.870 -0.614 0.000 0.992 169 L CA -0.301 54.279 54.840 -0.434 0.000 0.817 169 L CB 2.232 43.931 42.059 -0.600 0.000 1.350 169 L HN 0.757 nan 8.230 nan 0.000 0.411 170 M N 0.114 119.230 119.600 -0.807 0.000 2.745 170 M HA 0.336 4.814 4.480 -0.005 0.000 0.290 170 M C -0.049 176.104 176.300 -0.245 0.000 1.262 170 M CA -0.746 54.207 55.300 -0.578 0.000 0.795 170 M CB 2.385 34.485 32.600 -0.833 0.000 1.758 170 M HN 0.552 nan 8.290 nan 0.000 0.461 171 S N 0.361 115.997 115.700 -0.106 0.000 4.069 171 S HA 0.648 5.116 4.470 -0.005 0.000 0.192 171 S C -0.363 174.223 174.600 -0.023 0.000 1.441 171 S CA -0.424 57.740 58.200 -0.059 0.000 0.994 171 S CB -1.007 62.147 63.200 -0.077 0.000 1.456 171 S HN 0.706 nan 8.310 nan 0.000 0.458 172 A N 1.804 124.603 122.820 -0.035 0.000 2.566 172 A HA 0.607 4.925 4.320 -0.005 0.000 0.290 172 A C -0.993 176.647 177.584 0.093 0.000 1.071 172 A CA -0.926 51.087 52.037 -0.040 0.000 0.658 172 A CB 0.482 19.410 19.000 -0.119 0.000 1.285 172 A HN 0.343 nan 8.150 nan 0.000 0.427 173 I N 1.516 122.144 120.570 0.097 0.000 2.496 173 I HA 0.184 4.351 4.170 -0.005 0.000 0.285 173 I C 1.016 177.240 176.117 0.178 0.000 1.080 173 I CA 0.091 61.470 61.300 0.132 0.000 1.404 173 I CB 0.261 38.314 38.000 0.089 0.000 1.403 173 I HN 0.622 nan 8.210 nan 0.000 0.539 174 R N 4.037 124.645 120.500 0.180 0.000 2.484 174 R HA -0.033 4.304 4.340 -0.005 0.000 0.293 174 R C 0.124 176.423 176.300 -0.001 0.000 1.023 174 R CA 0.162 56.315 56.100 0.089 0.000 1.037 174 R CB 0.328 30.698 30.300 0.116 0.000 0.951 174 R HN 0.461 nan 8.270 nan 0.000 0.418 175 D N 1.601 121.931 120.400 -0.117 0.000 2.501 175 D HA 0.202 4.840 4.640 -0.005 0.000 0.224 175 D C 0.074 176.318 176.300 -0.094 0.000 1.202 175 D CA 0.433 54.391 54.000 -0.071 0.000 0.829 175 D CB 0.541 41.311 40.800 -0.050 0.000 1.023 175 D HN 0.754 nan 8.370 nan 0.000 0.499 176 G N 0.587 109.319 108.800 -0.114 0.000 2.381 176 G HA2 0.210 4.167 3.960 -0.005 0.000 0.672 176 G HA3 0.210 4.167 3.960 -0.005 0.000 0.672 176 G C -1.342 173.461 174.900 -0.162 0.000 1.324 176 G CA -0.415 44.624 45.100 -0.100 0.000 0.975 176 G HN 0.307 nan 8.290 nan 0.000 0.593 177 E N -1.725 118.369 120.200 -0.177 0.000 2.352 177 E HA 0.780 5.128 4.350 -0.005 0.000 0.280 177 E C -0.512 175.945 176.600 -0.240 0.000 0.930 177 E CA -0.436 55.764 56.400 -0.332 0.000 0.765 177 E CB 2.191 31.560 29.700 -0.552 0.000 1.219 177 E HN 1.386 nan 8.360 nan 0.000 0.434 178 T N -0.920 113.490 114.554 -0.240 0.000 2.843 178 T HA 0.555 4.902 4.350 -0.005 0.000 0.302 178 T C -2.918 171.699 174.700 -0.138 0.000 1.232 178 T CA -2.138 59.874 62.100 -0.148 0.000 1.009 178 T CB 1.159 69.972 68.868 -0.091 0.000 1.254 178 T HN 0.257 nan 8.240 nan 0.000 0.504 179 P HA 0.178 nan 4.420 nan 0.000 0.267 179 P C -0.623 176.651 177.300 -0.043 0.000 1.200 179 P CA -0.046 63.019 63.100 -0.057 0.000 0.772 179 P CB 0.264 31.943 31.700 -0.034 0.000 0.855 180 D N 3.601 123.987 120.400 -0.023 0.000 2.338 180 D HA 0.063 4.700 4.640 -0.005 0.000 0.255 180 D C -1.450 174.849 176.300 -0.002 0.000 1.237 180 D CA -1.982 52.015 54.000 -0.006 0.000 0.883 180 D CB 0.549 41.356 40.800 0.012 0.000 1.087 180 D HN 0.115 nan 8.370 nan 0.000 0.485 181 P HA -0.108 nan 4.420 nan 0.000 0.218 181 P C 0.643 177.946 177.300 0.004 0.000 1.148 181 P CA 0.993 64.093 63.100 -0.000 0.000 0.822 181 P CB 0.305 32.006 31.700 0.000 0.000 0.784 182 E N -1.198 119.006 120.200 0.007 0.000 2.502 182 E HA -0.028 4.319 4.350 -0.005 0.000 0.194 182 E C -0.026 176.581 176.600 0.011 0.000 1.062 182 E CA 0.297 56.702 56.400 0.008 0.000 0.867 182 E CB -0.038 29.667 29.700 0.009 0.000 0.888 182 E HN 0.132 nan 8.360 nan 0.000 0.510 183 D N -1.046 119.362 120.400 0.013 0.000 2.329 183 D HA 0.046 4.683 4.640 -0.005 0.000 0.217 183 D C -2.482 173.830 176.300 0.020 0.000 1.317 183 D CA -1.262 52.749 54.000 0.018 0.000 0.928 183 D CB 0.842 41.657 40.800 0.025 0.000 1.544 183 D HN -0.244 nan 8.370 nan 0.000 0.499 184 P HA -0.064 nan 4.420 nan 0.000 0.228 184 P C 1.107 178.420 177.300 0.021 0.000 1.151 184 P CA 0.801 63.910 63.100 0.014 0.000 0.770 184 P CB 0.170 31.877 31.700 0.012 0.000 0.786 185 S N -2.106 113.612 115.700 0.030 0.000 2.631 185 S HA 0.146 4.613 4.470 -0.005 0.000 0.217 185 S C 0.746 175.377 174.600 0.053 0.000 0.958 185 S CA -0.269 57.956 58.200 0.041 0.000 0.920 185 S CB -0.339 62.889 63.200 0.047 0.000 0.776 185 S HN 0.045 nan 8.310 nan 0.000 0.517 186 R N 0.290 120.817 120.500 0.045 0.000 2.807 186 R HA 0.590 4.928 4.340 -0.005 0.000 0.276 186 R C -1.148 175.168 176.300 0.027 0.000 0.979 186 R CA -0.762 55.373 56.100 0.057 0.000 0.928 186 R CB 1.582 31.921 30.300 0.066 0.000 1.191 186 R HN 0.107 nan 8.270 nan 0.000 0.471 187 K N 1.561 121.981 120.400 0.033 0.000 2.207 187 K HA 0.477 4.794 4.320 -0.005 0.000 0.255 187 K C -0.583 175.993 176.600 -0.039 0.000 0.941 187 K CA -0.532 55.714 56.287 -0.069 0.000 0.825 187 K CB 1.730 34.115 32.500 -0.192 0.000 1.119 187 K HN 0.355 nan 8.250 nan 0.000 0.430 188 I N 3.128 123.630 120.570 -0.113 0.000 2.336 188 I HA 0.245 4.412 4.170 -0.005 0.000 0.292 188 I C -0.834 175.170 176.117 -0.188 0.000 0.991 188 I CA -0.690 60.582 61.300 -0.047 0.000 1.227 188 I CB 0.641 38.632 38.000 -0.016 0.000 1.366 188 I HN 0.437 nan 8.210 nan 0.000 0.466 189 Y N 5.327 125.608 120.300 -0.032 0.000 2.387 189 Y HA 0.508 5.056 4.550 -0.004 0.000 0.336 189 Y C -0.070 175.604 175.900 -0.377 0.000 1.067 189 Y CA -0.563 57.419 58.100 -0.196 0.000 1.114 189 Y CB 1.653 40.063 38.460 -0.083 0.000 1.208 189 Y HN 0.385 nan 8.280 nan 0.000 0.458 190 K N 2.790 122.879 120.400 -0.519 0.000 2.318 190 K HA 0.707 5.024 4.320 -0.005 0.000 0.249 190 K C -1.810 174.291 176.600 -0.833 0.000 0.942 190 K CA -0.746 55.272 56.287 -0.448 0.000 0.808 190 K CB 1.944 34.348 32.500 -0.159 0.000 1.189 190 K HN 0.384 nan 8.250 nan 0.000 0.428 191 F N 1.398 121.406 119.950 0.096 0.000 2.619 191 F HA 0.551 5.075 4.527 -0.004 0.000 0.308 191 F C -0.731 175.079 175.800 0.017 0.000 1.097 191 F CA -0.937 57.096 58.000 0.054 0.000 0.953 191 F CB 1.582 40.629 39.000 0.078 0.000 1.287 191 F HN 0.342 nan 8.300 nan 0.000 0.446 192 I N 2.171 122.812 120.570 0.119 0.000 2.607 192 I HA 0.559 4.726 4.170 -0.005 0.000 0.290 192 I C -1.761 174.266 176.117 -0.149 0.000 1.129 192 I CA -0.477 60.818 61.300 -0.009 0.000 1.042 192 I CB 1.879 39.900 38.000 0.035 0.000 1.242 192 I HN 0.631 nan 8.210 nan 0.000 0.421 193 Q N 6.373 125.967 119.800 -0.343 0.000 2.363 193 Q HA 0.357 4.695 4.340 -0.005 0.000 0.265 193 Q C -0.285 175.631 176.000 -0.140 0.000 1.032 193 Q CA -0.527 55.087 55.803 -0.315 0.000 0.746 193 Q CB 1.501 29.827 28.738 -0.686 0.000 1.237 193 Q HN 0.738 nan 8.270 nan 0.000 0.475 194 K N 1.515 121.873 120.400 -0.070 0.000 2.379 194 K HA 0.208 4.526 4.320 -0.005 0.000 0.194 194 K C -0.254 176.287 176.600 -0.099 0.000 1.031 194 K CA 0.081 56.334 56.287 -0.058 0.000 1.037 194 K CB 0.542 33.002 32.500 -0.066 0.000 0.824 194 K HN 0.286 nan 8.250 nan 0.000 0.516 195 V N 3.919 123.767 119.914 -0.111 0.000 2.406 195 V HA 0.240 4.357 4.120 -0.005 0.000 0.272 195 V C -2.392 173.703 176.094 0.002 0.000 1.043 195 V CA -2.316 59.883 62.300 -0.168 0.000 0.915 195 V CB 0.927 32.445 31.823 -0.508 0.000 0.988 195 V HN 0.109 nan 8.190 nan 0.000 0.466 196 P HA 0.286 nan 4.420 nan 0.000 0.268 196 P C -0.571 176.812 177.300 0.139 0.000 1.204 196 P CA 0.269 63.411 63.100 0.070 0.000 0.768 196 P CB 0.334 32.058 31.700 0.041 0.000 0.842 197 I N 0.088 120.728 120.570 0.118 0.000 2.894 197 I HA 0.653 4.820 4.170 -0.005 0.000 0.302 197 I C -2.855 173.253 176.117 -0.015 0.000 1.188 197 I CA -3.426 57.923 61.300 0.082 0.000 1.014 197 I CB 2.727 40.785 38.000 0.096 0.000 1.242 197 I HN 0.059 nan 8.210 nan 0.000 0.430 198 P HA 0.041 nan 4.420 nan 0.000 0.271 198 P C 0.972 178.164 177.300 -0.179 0.000 1.218 198 P CA -0.256 62.766 63.100 -0.129 0.000 0.780 198 P CB 1.032 32.628 31.700 -0.174 0.000 0.901 199 C N 1.338 120.604 119.300 -0.055 0.000 2.409 199 C HA -0.144 4.313 4.460 -0.005 0.000 0.288 199 C C 2.506 177.473 174.990 -0.039 0.000 1.395 199 C CA 0.445 59.425 59.018 -0.063 0.000 1.792 199 C CB -2.654 25.065 27.740 -0.036 0.000 1.847 199 C HN 0.645 nan 8.230 nan 0.000 0.534 200 Y N 0.349 120.675 120.300 0.044 0.000 2.571 200 Y HA 0.292 4.840 4.550 -0.003 0.000 0.294 200 Y C 1.845 177.732 175.900 -0.021 0.000 1.141 200 Y CA 0.444 58.574 58.100 0.050 0.000 1.308 200 Y CB -0.817 37.766 38.460 0.205 0.000 1.002 200 Y HN 0.273 nan 8.280 nan 0.000 0.551 201 L N 0.727 121.724 121.223 -0.377 0.000 2.567 201 L HA 0.220 4.558 4.340 -0.005 0.000 0.225 201 L C 0.452 177.200 176.870 -0.204 0.000 1.119 201 L CA -0.124 54.506 54.840 -0.350 0.000 0.871 201 L CB 0.050 41.831 42.059 -0.464 0.000 1.036 201 L HN 0.166 nan 8.230 nan 0.000 0.459 202 I N 1.049 121.509 120.570 -0.184 0.000 2.618 202 I HA 0.148 4.315 4.170 -0.005 0.000 0.284 202 I C 0.384 176.375 176.117 -0.211 0.000 1.146 202 I CA 0.181 61.339 61.300 -0.236 0.000 1.425 202 I CB 0.660 38.438 38.000 -0.369 0.000 1.383 202 I HN 0.034 nan 8.210 nan 0.000 0.562 203 A N 7.009 129.706 122.820 -0.206 0.000 2.574 203 A HA 0.855 5.172 4.320 -0.005 0.000 0.297 203 A C -1.675 175.831 177.584 -0.130 0.000 1.062 203 A CA -0.471 51.447 52.037 -0.200 0.000 0.686 203 A CB 1.874 20.608 19.000 -0.444 0.000 1.285 203 A HN 0.522 nan 8.150 nan 0.000 0.403 204 L N 1.396 122.602 121.223 -0.028 0.000 2.455 204 L HA 0.823 5.160 4.340 -0.005 0.000 0.264 204 L C -1.473 175.412 176.870 0.024 0.000 0.968 204 L CA -0.565 54.221 54.840 -0.089 0.000 0.827 204 L CB 1.974 43.944 42.059 -0.148 0.000 1.317 204 L HN 1.129 nan 8.230 nan 0.000 0.407 205 V N 5.531 125.380 119.914 -0.109 0.000 2.656 205 V HA 0.852 4.969 4.120 -0.005 0.000 0.307 205 V C -1.541 174.366 176.094 -0.311 0.000 1.051 205 V CA -0.352 61.825 62.300 -0.206 0.000 0.893 205 V CB 2.340 33.951 31.823 -0.353 0.000 0.999 205 V HN 0.576 nan 8.190 nan 0.000 0.426 206 V N 6.022 125.742 119.914 -0.323 0.000 2.531 206 V HA 1.032 5.150 4.120 -0.005 0.000 0.301 206 V C 0.461 176.343 176.094 -0.354 0.000 1.034 206 V CA 0.466 62.627 62.300 -0.232 0.000 0.865 206 V CB 1.088 32.914 31.823 0.005 0.000 0.995 206 V HN 1.352 nan 8.190 nan 0.000 0.424 207 G N 2.696 111.283 108.800 -0.355 0.000 2.441 207 G HA2 0.600 4.557 3.960 -0.005 0.000 0.294 207 G HA3 0.600 4.557 3.960 -0.005 0.000 0.294 207 G C -1.084 173.738 174.900 -0.130 0.000 1.393 207 G CA -0.102 44.804 45.100 -0.322 0.000 0.796 207 G HN 1.036 nan 8.290 nan 0.000 0.494 208 A N 0.487 123.310 122.820 0.005 0.000 2.922 208 A HA 0.652 4.969 4.320 -0.005 0.000 0.298 208 A C 0.091 177.732 177.584 0.094 0.000 1.588 208 A CA -0.055 51.984 52.037 0.003 0.000 1.288 208 A CB -0.857 18.166 19.000 0.039 0.000 1.130 208 A HN 0.535 nan 8.150 nan 0.000 0.557 209 L N 1.576 122.855 121.223 0.093 0.000 2.322 209 L HA 0.543 4.880 4.340 -0.005 0.000 0.279 209 L C 0.340 177.360 176.870 0.250 0.000 1.036 209 L CA -0.342 54.619 54.840 0.202 0.000 0.807 209 L CB 1.601 43.794 42.059 0.223 0.000 1.226 209 L HN 0.618 nan 8.230 nan 0.000 0.433 210 E N 0.879 121.204 120.200 0.208 0.000 2.392 210 E HA 0.644 4.991 4.350 -0.005 0.000 0.269 210 E C -1.299 175.219 176.600 -0.137 0.000 0.924 210 E CA -0.691 55.742 56.400 0.055 0.000 0.784 210 E CB 2.586 32.299 29.700 0.022 0.000 1.292 210 E HN 0.614 nan 8.360 nan 0.000 0.447 211 S N 0.697 116.141 115.700 -0.426 0.000 2.564 211 S HA 0.708 5.176 4.470 -0.005 0.000 0.274 211 S C -0.896 173.455 174.600 -0.415 0.000 1.124 211 S CA -1.030 56.731 58.200 -0.732 0.000 0.869 211 S CB 2.475 64.627 63.200 -1.746 0.000 1.105 211 S HN 0.577 nan 8.310 nan 0.000 0.472 212 R N 0.920 121.229 120.500 -0.319 0.000 2.628 212 R HA 0.469 4.807 4.340 -0.005 0.000 0.288 212 R C -1.083 175.132 176.300 -0.142 0.000 0.980 212 R CA -0.508 55.486 56.100 -0.176 0.000 0.891 212 R CB 1.800 32.046 30.300 -0.091 0.000 1.188 212 R HN 0.862 nan 8.270 nan 0.000 0.450 213 Q N 4.219 123.964 119.800 -0.092 0.000 2.286 213 Q HA 0.240 4.577 4.340 -0.005 0.000 0.257 213 Q C 0.309 176.307 176.000 -0.004 0.000 0.941 213 Q CA -0.084 55.693 55.803 -0.044 0.000 0.912 213 Q CB 0.941 29.665 28.738 -0.023 0.000 1.192 213 Q HN 0.805 nan 8.270 nan 0.000 0.410 214 I N 0.091 120.676 120.570 0.025 0.000 4.240 214 I HA 0.595 4.762 4.170 -0.005 0.000 0.331 214 I C 0.350 176.500 176.117 0.056 0.000 1.381 214 I CA -0.246 61.082 61.300 0.047 0.000 1.136 214 I CB 1.070 39.115 38.000 0.076 0.000 1.137 214 I HN 0.531 nan 8.210 nan 0.000 0.411 215 G N 1.349 110.184 108.800 0.058 0.000 2.600 215 G HA2 0.409 4.366 3.960 -0.005 0.000 0.293 215 G HA3 0.409 4.366 3.960 -0.005 0.000 0.293 215 G C -2.693 172.242 174.900 0.059 0.000 1.408 215 G CA -0.397 44.738 45.100 0.058 0.000 0.782 215 G HN -0.226 nan 8.290 nan 0.000 0.482 216 P HA -0.008 nan 4.420 nan 0.000 0.226 216 P C 0.820 178.168 177.300 0.079 0.000 1.153 216 P CA 0.814 63.950 63.100 0.060 0.000 0.777 216 P CB 0.233 31.966 31.700 0.055 0.000 0.794 217 R N -2.027 118.529 120.500 0.094 0.000 2.616 217 R HA 0.365 4.702 4.340 -0.005 0.000 0.427 217 R C -0.725 175.667 176.300 0.153 0.000 1.030 217 R CA -0.310 55.866 56.100 0.127 0.000 1.133 217 R CB -0.184 30.200 30.300 0.139 0.000 1.444 217 R HN -0.204 nan 8.270 nan 0.000 0.578 218 T N 1.736 116.368 114.554 0.131 0.000 2.949 218 T HA 0.400 4.747 4.350 -0.005 0.000 0.300 218 T C -1.345 173.410 174.700 0.092 0.000 0.988 218 T CA -0.552 61.634 62.100 0.143 0.000 0.993 218 T CB 1.778 70.755 68.868 0.181 0.000 0.984 218 T HN -0.046 nan 8.240 nan 0.000 0.442 219 L N 3.794 125.065 121.223 0.079 0.000 2.317 219 L HA 0.636 4.974 4.340 -0.005 0.000 0.281 219 L C 0.141 176.996 176.870 -0.026 0.000 1.024 219 L CA -0.928 53.886 54.840 -0.043 0.000 0.810 219 L CB 1.659 43.628 42.059 -0.150 0.000 1.240 219 L HN 0.560 nan 8.230 nan 0.000 0.427 220 V N -0.651 119.226 119.914 -0.062 0.000 2.546 220 V HA 0.491 4.608 4.120 -0.005 0.000 0.284 220 V C -0.957 175.046 176.094 -0.152 0.000 1.050 220 V CA -0.810 61.499 62.300 0.016 0.000 0.981 220 V CB 0.683 32.576 31.823 0.118 0.000 0.990 220 V HN 0.670 nan 8.190 nan 0.000 0.474 221 W N 2.888 124.193 121.300 0.009 0.000 2.587 221 W HA 0.775 5.432 4.660 -0.004 0.000 0.324 221 W C 0.299 176.814 176.519 -0.007 0.000 1.040 221 W CA 0.105 57.444 57.345 -0.010 0.000 1.222 221 W CB 2.061 31.490 29.460 -0.052 0.000 1.381 221 W HN 1.035 nan 8.180 nan 0.000 0.483 222 S N -0.139 115.686 115.700 0.209 0.000 2.703 222 S HA 0.425 4.893 4.470 -0.005 0.000 0.273 222 S C -0.815 173.881 174.600 0.161 0.000 1.178 222 S CA -1.370 56.928 58.200 0.164 0.000 0.838 222 S CB 1.343 64.606 63.200 0.105 0.000 1.178 222 S HN 0.470 nan 8.310 nan 0.000 0.494 223 E N 0.869 121.159 120.200 0.150 0.000 2.422 223 E HA 0.095 4.443 4.350 -0.005 0.000 0.260 223 E C 0.816 177.467 176.600 0.085 0.000 1.108 223 E CA -0.271 56.207 56.400 0.130 0.000 0.943 223 E CB 0.473 30.243 29.700 0.118 0.000 0.961 223 E HN 0.609 nan 8.360 nan 0.000 0.443 224 K N 1.625 122.071 120.400 0.076 0.000 2.077 224 K HA -0.245 4.072 4.320 -0.005 0.000 0.213 224 K C 1.524 178.146 176.600 0.036 0.000 1.051 224 K CA 1.972 58.289 56.287 0.050 0.000 0.929 224 K CB 0.052 32.584 32.500 0.052 0.000 0.715 224 K HN 0.442 nan 8.250 nan 0.000 0.451 225 E N 0.158 120.380 120.200 0.037 0.000 2.472 225 E HA -0.176 4.172 4.350 -0.005 0.000 0.200 225 E C 1.198 177.808 176.600 0.018 0.000 1.046 225 E CA 1.026 57.441 56.400 0.024 0.000 0.871 225 E CB -0.048 29.664 29.700 0.021 0.000 0.806 225 E HN 0.380 nan 8.360 nan 0.000 0.533 226 Q N -0.244 119.572 119.800 0.026 0.000 2.247 226 Q HA 0.184 4.521 4.340 -0.005 0.000 0.211 226 Q C 1.834 177.848 176.000 0.024 0.000 0.861 226 Q CA 0.023 55.840 55.803 0.024 0.000 0.949 226 Q CB 0.821 29.579 28.738 0.034 0.000 1.115 226 Q HN 0.079 nan 8.270 nan 0.000 0.507 227 V N 0.475 120.402 119.914 0.021 0.000 2.323 227 V HA -0.228 3.889 4.120 -0.005 0.000 0.244 227 V C 2.126 178.224 176.094 0.007 0.000 1.041 227 V CA 2.117 64.426 62.300 0.015 0.000 1.025 227 V CB -0.241 31.581 31.823 -0.003 0.000 0.656 227 V HN 0.457 nan 8.190 nan 0.000 0.451 228 E N 0.562 120.763 120.200 0.000 0.000 2.031 228 E HA -0.306 4.041 4.350 -0.005 0.000 0.193 228 E C 2.281 178.882 176.600 0.002 0.000 0.994 228 E CA 1.764 58.164 56.400 0.000 0.000 0.800 228 E CB -0.106 29.588 29.700 -0.011 0.000 0.752 228 E HN 0.528 nan 8.360 nan 0.000 0.447 229 K N 0.232 120.621 120.400 -0.018 0.000 2.044 229 K HA -0.168 4.149 4.320 -0.005 0.000 0.210 229 K C 2.240 178.798 176.600 -0.070 0.000 1.049 229 K CA 2.020 58.286 56.287 -0.036 0.000 0.927 229 K CB -0.148 32.326 32.500 -0.044 0.000 0.713 229 K HN -0.010 nan 8.250 nan 0.000 0.443 230 S N 0.204 115.859 115.700 -0.074 0.000 2.368 230 S HA -0.151 4.317 4.470 -0.005 0.000 0.225 230 S C 2.013 176.544 174.600 -0.114 0.000 1.030 230 S CA 1.126 59.237 58.200 -0.150 0.000 0.999 230 S CB -0.403 62.848 63.200 0.086 0.000 0.844 230 S HN 0.550 nan 8.310 nan 0.000 0.459 231 A N 0.446 123.271 122.820 0.009 0.000 1.908 231 A HA -0.166 4.151 4.320 -0.005 0.000 0.218 231 A C 1.973 179.578 177.584 0.036 0.000 1.181 231 A CA 1.773 53.838 52.037 0.047 0.000 0.627 231 A CB -0.935 18.091 19.000 0.043 0.000 0.818 231 A HN 0.621 nan 8.150 nan 0.000 0.445 232 Y N 0.213 120.459 120.300 -0.090 0.000 2.163 232 Y HA -0.131 4.416 4.550 -0.005 0.000 0.288 232 Y C 2.354 178.171 175.900 -0.138 0.000 1.136 232 Y CA 2.198 60.247 58.100 -0.085 0.000 1.147 232 Y CB -0.268 38.145 38.460 -0.079 0.000 0.987 232 Y HN 0.380 nan 8.280 nan 0.000 0.509 233 E N -0.130 119.947 120.200 -0.205 0.000 2.118 233 E HA -0.178 4.169 4.350 -0.005 0.000 0.195 233 E C 0.844 177.208 176.600 -0.395 0.000 0.992 233 E CA 1.588 57.717 56.400 -0.451 0.000 0.804 233 E CB -0.352 28.819 29.700 -0.881 0.000 0.741 233 E HN 0.476 nan 8.360 nan 0.000 0.458 234 F N -0.319 119.642 119.950 0.018 0.000 2.684 234 F HA 0.248 4.772 4.527 -0.004 0.000 0.298 234 F C 1.782 177.590 175.800 0.014 0.000 1.120 234 F CA 0.180 58.205 58.000 0.041 0.000 1.332 234 F CB -0.401 38.648 39.000 0.082 0.000 0.986 234 F HN -0.014 nan 8.300 nan 0.000 0.524 235 S N -0.560 115.164 115.700 0.039 0.000 2.469 235 S HA -0.189 4.278 4.470 -0.005 0.000 0.238 235 S C 1.357 175.975 174.600 0.030 0.000 0.998 235 S CA 1.111 59.311 58.200 0.000 0.000 0.957 235 S CB -0.469 62.656 63.200 -0.126 0.000 0.764 235 S HN 0.527 nan 8.310 nan 0.000 0.514 236 E N 0.820 121.055 120.200 0.059 0.000 2.502 236 E HA 0.044 4.391 4.350 -0.005 0.000 0.194 236 E C 1.485 178.131 176.600 0.076 0.000 1.062 236 E CA 0.558 56.995 56.400 0.061 0.000 0.867 236 E CB -0.262 29.493 29.700 0.091 0.000 0.888 236 E HN 0.535 nan 8.360 nan 0.000 0.510 237 T N 1.159 115.781 114.554 0.113 0.000 2.622 237 T HA -0.242 4.106 4.350 -0.005 0.000 0.266 237 T C 1.778 176.501 174.700 0.039 0.000 1.047 237 T CA 1.724 63.889 62.100 0.108 0.000 1.159 237 T CB -0.172 68.809 68.868 0.188 0.000 0.863 237 T HN 0.169 nan 8.240 nan 0.000 0.422 238 E N 1.518 121.745 120.200 0.046 0.000 2.070 238 E HA -0.155 4.192 4.350 -0.005 0.000 0.197 238 E C 2.377 178.975 176.600 -0.004 0.000 1.004 238 E CA 1.957 58.366 56.400 0.015 0.000 0.805 238 E CB -0.523 29.195 29.700 0.030 0.000 0.744 238 E HN 0.559 nan 8.360 nan 0.000 0.451 239 S N -0.597 115.102 115.700 -0.000 0.000 2.399 239 S HA -0.184 4.284 4.470 -0.005 0.000 0.231 239 S C 2.128 176.713 174.600 -0.026 0.000 1.022 239 S CA 1.439 59.629 58.200 -0.016 0.000 0.983 239 S CB -0.385 62.798 63.200 -0.028 0.000 0.803 239 S HN 0.308 nan 8.310 nan 0.000 0.480 240 M N 0.809 120.398 119.600 -0.017 0.000 2.132 240 M HA 0.050 4.527 4.480 -0.005 0.000 0.263 240 M C 2.276 178.553 176.300 -0.037 0.000 1.065 240 M CA 1.366 56.656 55.300 -0.017 0.000 1.122 240 M CB -0.675 31.932 32.600 0.012 0.000 1.365 240 M HN 0.299 nan 8.290 nan 0.000 0.411 241 L N 0.105 121.287 121.223 -0.068 0.000 2.042 241 L HA -0.247 4.090 4.340 -0.005 0.000 0.210 241 L C 2.477 179.350 176.870 0.006 0.000 1.076 241 L CA 1.478 56.278 54.840 -0.066 0.000 0.749 241 L CB -0.581 41.372 42.059 -0.177 0.000 0.893 241 L HN 0.262 nan 8.230 nan 0.000 0.432 242 K N 0.077 120.473 120.400 -0.007 0.000 2.074 242 K HA -0.194 4.123 4.320 -0.005 0.000 0.209 242 K C 2.019 178.610 176.600 -0.016 0.000 1.048 242 K CA 1.550 57.842 56.287 0.007 0.000 0.926 242 K CB -0.227 32.274 32.500 0.002 0.000 0.713 242 K HN 0.239 nan 8.250 nan 0.000 0.444 243 I N 0.498 121.046 120.570 -0.037 0.000 2.252 243 I HA -0.244 3.923 4.170 -0.005 0.000 0.245 243 I C 2.418 178.464 176.117 -0.117 0.000 1.102 243 I CA 0.977 62.242 61.300 -0.058 0.000 1.385 243 I CB -0.295 37.679 38.000 -0.043 0.000 1.064 243 I HN 0.152 nan 8.210 nan 0.000 0.414 244 A N 0.385 123.118 122.820 -0.144 0.000 1.908 244 A HA -0.239 4.079 4.320 -0.005 0.000 0.218 244 A C 2.235 179.437 177.584 -0.636 0.000 1.181 244 A CA 1.750 53.560 52.037 -0.377 0.000 0.627 244 A CB -0.585 18.267 19.000 -0.247 0.000 0.818 244 A HN 0.441 nan 8.150 nan 0.000 0.445 245 E N -0.774 119.302 120.200 -0.206 0.000 2.110 245 E HA -0.219 4.128 4.350 -0.005 0.000 0.193 245 E C 1.717 178.269 176.600 -0.079 0.000 0.988 245 E CA 1.172 57.566 56.400 -0.009 0.000 0.804 245 E CB -0.191 29.627 29.700 0.197 0.000 0.745 245 E HN 0.701 nan 8.360 nan 0.000 0.458 246 D N 0.516 120.865 120.400 -0.084 0.000 2.178 246 D HA -0.137 4.501 4.640 -0.005 0.000 0.201 246 D C 1.822 178.048 176.300 -0.124 0.000 0.980 246 D CA 0.935 54.891 54.000 -0.074 0.000 0.842 246 D CB 0.067 40.836 40.800 -0.052 0.000 0.948 246 D HN 0.104 nan 8.370 nan 0.000 0.472 247 L N -1.403 119.693 121.223 -0.211 0.000 2.249 247 L HA 0.271 4.608 4.340 -0.005 0.000 0.207 247 L C 2.291 178.986 176.870 -0.292 0.000 1.090 247 L CA 1.003 55.710 54.840 -0.221 0.000 0.802 247 L CB -0.038 41.891 42.059 -0.217 0.000 0.947 247 L HN 0.129 nan 8.230 nan 0.000 0.453 248 G N -1.063 107.420 108.800 -0.529 0.000 2.944 248 G HA2 0.474 4.431 3.960 -0.005 0.000 0.223 248 G HA3 0.474 4.431 3.960 -0.005 0.000 0.223 248 G C 0.661 175.378 174.900 -0.306 0.000 1.071 248 G CA 0.453 45.154 45.100 -0.666 0.000 0.806 248 G HN 0.472 nan 8.290 nan 0.000 0.538 249 G N -0.123 108.602 108.800 -0.125 0.000 2.655 249 G HA2 -0.005 3.952 3.960 -0.005 0.000 0.680 249 G HA3 -0.005 3.952 3.960 -0.005 0.000 0.680 249 G C -2.989 172.157 174.900 0.410 0.000 1.302 249 G CA -0.732 44.446 45.100 0.130 0.000 0.872 249 G HN 0.180 nan 8.290 nan 0.000 0.540 250 P HA 0.198 nan 4.420 nan 0.000 0.264 250 P C -0.445 177.118 177.300 0.440 0.000 1.179 250 P CA 0.266 63.562 63.100 0.327 0.000 0.763 250 P CB 0.172 31.969 31.700 0.162 0.000 0.806 251 Y N 3.958 124.431 120.300 0.287 0.000 2.393 251 Y HA 0.221 4.769 4.550 -0.005 0.000 0.338 251 Y C 1.180 177.065 175.900 -0.024 0.000 1.029 251 Y CA -0.066 58.075 58.100 0.068 0.000 1.239 251 Y CB 0.527 39.081 38.460 0.157 0.000 1.170 251 Y HN 0.197 nan 8.280 nan 0.000 0.515 252 V N 2.899 122.451 119.914 -0.604 0.000 3.621 252 V HA 0.080 4.197 4.120 -0.005 0.000 0.285 252 V C 0.427 176.084 176.094 -0.729 0.000 1.346 252 V CA 0.079 62.017 62.300 -0.603 0.000 1.104 252 V CB -0.718 30.724 31.823 -0.634 0.000 0.913 252 V HN 0.841 nan 8.190 nan 0.000 0.432 253 W N 1.325 122.160 121.300 -0.775 0.000 3.290 253 W HA 0.671 5.328 4.660 -0.005 0.000 0.287 253 W C 1.839 178.279 176.519 -0.132 0.000 1.288 253 W CA 0.644 57.706 57.345 -0.471 0.000 1.725 253 W CB 0.074 29.194 29.460 -0.567 0.000 1.103 253 W HN 0.507 nan 8.180 nan 0.000 0.670 254 G N 0.584 109.477 108.800 0.155 0.000 4.163 254 G HA2 -0.386 3.571 3.960 -0.005 0.000 0.300 254 G HA3 -0.386 3.571 3.960 -0.005 0.000 0.300 254 G C 0.247 175.388 174.900 0.402 0.000 1.488 254 G CA 0.398 45.645 45.100 0.245 0.000 1.052 254 G HN 0.173 nan 8.290 nan 0.000 0.687 255 Q N 0.253 120.268 119.800 0.358 0.000 2.299 255 Q HA 0.657 4.994 4.340 -0.005 0.000 0.246 255 Q C -1.050 175.238 176.000 0.480 0.000 0.935 255 Q CA -0.407 55.602 55.803 0.342 0.000 0.887 255 Q CB 0.819 29.701 28.738 0.242 0.000 1.223 255 Q HN 0.650 nan 8.270 nan 0.000 0.439 256 Y N 3.078 123.503 120.300 0.208 0.000 2.805 256 Y HA 0.353 4.900 4.550 -0.005 0.000 0.339 256 Y C -1.302 174.670 175.900 0.120 0.000 1.012 256 Y CA -0.836 57.342 58.100 0.130 0.000 1.262 256 Y CB 0.565 38.960 38.460 -0.107 0.000 1.100 256 Y HN 0.609 nan 8.280 nan 0.000 0.559 257 D N 3.954 124.227 120.400 -0.210 0.000 2.277 257 D HA 0.471 5.109 4.640 -0.005 0.000 0.250 257 D C -0.814 175.329 176.300 -0.262 0.000 1.032 257 D CA -0.145 53.812 54.000 -0.072 0.000 0.947 257 D CB 2.004 42.927 40.800 0.204 0.000 1.159 257 D HN 0.497 nan 8.370 nan 0.000 0.460 258 L N 1.492 122.691 121.223 -0.041 0.000 2.333 258 L HA 0.412 4.749 4.340 -0.005 0.000 0.280 258 L C -0.846 176.063 176.870 0.065 0.000 1.004 258 L CA -1.003 53.796 54.840 -0.068 0.000 0.820 258 L CB 1.631 43.655 42.059 -0.059 0.000 1.247 258 L HN 0.099 nan 8.230 nan 0.000 0.416 259 L N 4.697 125.893 121.223 -0.045 0.000 2.307 259 L HA 0.614 4.951 4.340 -0.005 0.000 0.284 259 L C -0.803 175.960 176.870 -0.178 0.000 1.023 259 L CA -0.264 54.512 54.840 -0.107 0.000 0.810 259 L CB 1.844 43.658 42.059 -0.408 0.000 1.231 259 L HN 0.265 nan 8.230 nan 0.000 0.423 260 V N 6.429 126.303 119.914 -0.067 0.000 2.347 260 V HA 0.391 4.508 4.120 -0.005 0.000 0.280 260 V C 0.307 176.315 176.094 -0.143 0.000 1.021 260 V CA -0.489 61.777 62.300 -0.057 0.000 0.847 260 V CB 1.038 32.934 31.823 0.122 0.000 0.990 260 V HN 0.668 nan 8.190 nan 0.000 0.444 261 L N 7.251 128.294 121.223 -0.300 0.000 2.469 261 L HA 0.505 4.842 4.340 -0.005 0.000 0.253 261 L C -1.964 174.733 176.870 -0.288 0.000 1.143 261 L CA -1.392 53.211 54.840 -0.395 0.000 0.804 261 L CB 0.292 41.901 42.059 -0.749 0.000 1.214 261 L HN 0.420 nan 8.230 nan 0.000 0.476 262 P HA 0.122 nan 4.420 nan 0.000 0.274 262 P C -2.284 174.954 177.300 -0.103 0.000 1.260 262 P CA -1.002 61.943 63.100 -0.259 0.000 0.793 262 P CB -0.141 31.354 31.700 -0.342 0.000 1.048 263 P HA -0.055 nan 4.420 nan 0.000 0.237 263 P C 0.890 178.229 177.300 0.064 0.000 1.178 263 P CA 1.065 64.183 63.100 0.030 0.000 0.766 263 P CB -0.339 31.383 31.700 0.037 0.000 0.876 264 S N -1.867 113.897 115.700 0.107 0.000 2.593 264 S HA 0.034 4.502 4.470 -0.005 0.000 0.217 264 S C 0.457 175.155 174.600 0.163 0.000 0.966 264 S CA -0.534 57.761 58.200 0.159 0.000 0.914 264 S CB -1.251 62.102 63.200 0.255 0.000 0.776 264 S HN -0.022 nan 8.310 nan 0.000 0.523 265 F N 4.906 124.797 119.950 -0.098 0.000 2.571 265 F HA 0.277 4.802 4.527 -0.003 0.000 0.384 265 F C -1.721 173.950 175.800 -0.214 0.000 1.058 265 F CA -2.390 55.475 58.000 -0.225 0.000 1.200 265 F CB 0.794 39.562 39.000 -0.387 0.000 1.077 265 F HN 0.016 nan 8.300 nan 0.000 0.558 266 P HA -0.076 nan 4.420 nan 0.000 0.234 266 P C -1.145 175.423 177.300 -1.220 0.000 1.167 266 P CA 1.309 63.767 63.100 -1.070 0.000 0.763 266 P CB -0.114 30.777 31.700 -1.348 0.000 0.835 267 Y N -2.364 117.481 120.300 -0.758 0.000 2.605 267 Y HA 0.558 5.105 4.550 -0.005 0.000 0.343 267 Y C 2.001 177.879 175.900 -0.036 0.000 1.036 267 Y CA -0.790 57.087 58.100 -0.371 0.000 1.065 267 Y CB 0.298 38.556 38.460 -0.337 0.000 1.288 267 Y HN -0.335 nan 8.280 nan 0.000 0.481 268 G N 0.214 109.090 108.800 0.127 0.000 2.440 268 G HA2 0.285 4.243 3.960 -0.005 0.000 0.218 268 G HA3 0.285 4.243 3.960 -0.005 0.000 0.218 268 G C 0.405 175.461 174.900 0.260 0.000 1.154 268 G CA 0.986 46.158 45.100 0.120 0.000 0.767 268 G HN 1.005 nan 8.290 nan 0.000 0.552 269 G N -1.901 107.107 108.800 0.347 0.000 2.646 269 G HA2 0.521 4.478 3.960 -0.005 0.000 0.291 269 G HA3 0.521 4.478 3.960 -0.005 0.000 0.291 269 G C -1.829 173.294 174.900 0.373 0.000 1.445 269 G CA -0.629 44.687 45.100 0.359 0.000 0.814 269 G HN 0.335 nan 8.290 nan 0.000 0.495 270 M N 1.557 121.336 119.600 0.297 0.000 2.206 270 M HA 0.352 4.830 4.480 -0.005 0.000 0.272 270 M C 0.118 176.431 176.300 0.022 0.000 1.012 270 M CA -0.962 54.429 55.300 0.152 0.000 0.986 270 M CB 1.853 34.578 32.600 0.207 0.000 1.740 270 M HN 0.567 nan 8.290 nan 0.000 0.472 271 E N 2.400 122.593 120.200 -0.011 0.000 2.528 271 E HA 0.047 4.394 4.350 -0.005 0.000 0.237 271 E C -1.018 175.485 176.600 -0.162 0.000 1.408 271 E CA 0.013 56.400 56.400 -0.023 0.000 1.571 271 E CB -1.055 28.624 29.700 -0.036 0.000 1.395 271 E HN 0.814 nan 8.360 nan 0.000 0.438 272 N N 3.521 122.080 118.700 -0.235 0.000 2.357 272 N HA 0.009 4.747 4.740 -0.005 0.000 0.257 272 N C -2.349 172.983 175.510 -0.298 0.000 1.250 272 N CA -0.653 52.206 53.050 -0.317 0.000 0.862 272 N CB 0.375 38.570 38.487 -0.485 0.000 1.066 272 N HN 0.239 nan 8.380 nan 0.000 0.468 273 P HA -0.013 nan 4.420 nan 0.000 0.271 273 P C 0.132 177.292 177.300 -0.232 0.000 1.216 273 P CA -0.154 62.619 63.100 -0.546 0.000 0.771 273 P CB 0.629 31.858 31.700 -0.786 0.000 0.864 274 C N 0.690 119.919 119.300 -0.118 0.000 5.680 274 C HA -0.209 4.248 4.460 -0.005 0.000 0.311 274 C C 0.520 175.478 174.990 -0.053 0.000 2.274 274 C CA 0.745 59.783 59.018 0.034 0.000 2.047 274 C CB -2.536 25.247 27.740 0.071 0.000 2.998 274 C HN 0.661 nan 8.230 nan 0.000 0.380 275 L N 0.979 122.128 121.223 -0.123 0.000 2.549 275 L HA 0.454 4.791 4.340 -0.005 0.000 0.260 275 L C 0.011 176.846 176.870 -0.059 0.000 1.109 275 L CA 0.391 55.173 54.840 -0.097 0.000 0.900 275 L CB 0.795 42.847 42.059 -0.011 0.000 1.119 275 L HN 0.174 nan 8.230 nan 0.000 0.471 276 T N 4.084 118.524 114.554 -0.190 0.000 2.888 276 T HA 0.302 4.650 4.350 -0.005 0.000 0.301 276 T C -0.182 174.593 174.700 0.124 0.000 1.001 276 T CA 0.602 62.670 62.100 -0.053 0.000 1.147 276 T CB -0.106 68.721 68.868 -0.069 0.000 0.931 276 T HN 0.145 nan 8.240 nan 0.000 0.541 277 F N 3.501 123.322 119.950 -0.214 0.000 2.394 277 F HA 0.532 5.057 4.527 -0.004 0.000 0.340 277 F C 0.547 176.121 175.800 -0.376 0.000 1.105 277 F CA -1.537 56.226 58.000 -0.396 0.000 1.124 277 F CB 0.819 39.456 39.000 -0.605 0.000 1.145 277 F HN 0.273 nan 8.300 nan 0.000 0.505 278 V N -0.714 119.035 119.914 -0.276 0.000 3.040 278 V HA 0.646 4.763 4.120 -0.005 0.000 0.312 278 V C -0.215 175.795 176.094 -0.140 0.000 1.115 278 V CA -0.926 61.289 62.300 -0.142 0.000 0.998 278 V CB 1.364 33.099 31.823 -0.148 0.000 1.042 278 V HN 0.718 nan 8.190 nan 0.000 0.433 279 T N 2.978 117.596 114.554 0.108 0.000 2.907 279 T HA 0.371 4.718 4.350 -0.005 0.000 0.298 279 T C -1.085 173.691 174.700 0.126 0.000 1.017 279 T CA -0.930 61.259 62.100 0.148 0.000 1.118 279 T CB 1.186 70.164 68.868 0.184 0.000 0.948 279 T HN 0.842 nan 8.240 nan 0.000 0.531 280 P HA -0.042 nan 4.420 nan 0.000 0.228 280 P C 1.219 178.600 177.300 0.134 0.000 1.151 280 P CA 0.850 64.015 63.100 0.108 0.000 0.770 280 P CB -0.353 31.377 31.700 0.050 0.000 0.786 281 T N -3.553 111.094 114.554 0.154 0.000 3.163 281 T HA 0.040 4.387 4.350 -0.005 0.000 0.260 281 T C 1.740 176.561 174.700 0.201 0.000 1.156 281 T CA 0.260 62.471 62.100 0.185 0.000 1.072 281 T CB -0.969 68.071 68.868 0.287 0.000 0.937 281 T HN 0.068 nan 8.240 nan 0.000 0.528 282 L N -0.004 121.354 121.223 0.225 0.000 2.313 282 L HA 0.268 4.605 4.340 -0.005 0.000 0.214 282 L C 1.080 178.074 176.870 0.208 0.000 1.119 282 L CA 0.423 55.429 54.840 0.277 0.000 0.809 282 L CB -0.346 41.974 42.059 0.436 0.000 0.933 282 L HN 0.321 nan 8.230 nan 0.000 0.449 283 L N 0.966 122.270 121.223 0.135 0.000 2.388 283 L HA 0.053 4.390 4.340 -0.005 0.000 0.252 283 L C 1.537 178.422 176.870 0.025 0.000 1.357 283 L CA -0.404 54.450 54.840 0.022 0.000 1.214 283 L CB -0.090 41.973 42.059 0.006 0.000 1.392 283 L HN 0.089 nan 8.230 nan 0.000 0.432 284 A N 1.011 123.852 122.820 0.036 0.000 2.208 284 A HA 0.300 4.618 4.320 -0.005 0.000 0.209 284 A C 1.889 179.483 177.584 0.016 0.000 1.161 284 A CA 0.701 52.755 52.037 0.028 0.000 0.782 284 A CB -0.104 18.916 19.000 0.033 0.000 0.816 284 A HN 0.798 nan 8.150 nan 0.000 0.477 285 G N 0.118 108.931 108.800 0.022 0.000 2.176 285 G HA2 -0.306 3.651 3.960 -0.005 0.000 0.253 285 G HA3 -0.306 3.651 3.960 -0.005 0.000 0.253 285 G C 0.292 175.258 174.900 0.109 0.000 0.979 285 G CA 1.051 46.165 45.100 0.023 0.000 0.641 285 G HN 1.000 nan 8.290 nan 0.000 0.530 286 D N -0.969 119.506 120.400 0.126 0.000 2.530 286 D HA 0.183 4.820 4.640 -0.005 0.000 0.253 286 D C 0.970 177.334 176.300 0.107 0.000 1.338 286 D CA 0.506 54.595 54.000 0.148 0.000 0.806 286 D CB -0.486 40.352 40.800 0.062 0.000 1.160 286 D HN 0.464 nan 8.370 nan 0.000 0.514 287 K N -0.126 120.324 120.400 0.085 0.000 3.467 287 K HA -0.185 4.132 4.320 -0.005 0.000 0.309 287 K C 1.040 177.707 176.600 0.111 0.000 1.350 287 K CA 1.014 57.345 56.287 0.073 0.000 0.934 287 K CB -2.327 30.190 32.500 0.028 0.000 1.312 287 K HN 0.325 nan 8.250 nan 0.000 0.461 288 S N 0.248 115.990 115.700 0.069 0.000 2.515 288 S HA 0.009 4.477 4.470 -0.005 0.000 0.231 288 S C 1.277 175.947 174.600 0.117 0.000 0.987 288 S CA 0.402 58.622 58.200 0.033 0.000 0.936 288 S CB -0.019 63.088 63.200 -0.156 0.000 0.766 288 S HN 0.390 nan 8.310 nan 0.000 0.528 289 L N 2.308 123.625 121.223 0.158 0.000 2.928 289 L HA 0.307 4.644 4.340 -0.005 0.000 0.246 289 L C 1.600 178.623 176.870 0.256 0.000 1.239 289 L CA 0.100 55.059 54.840 0.197 0.000 1.035 289 L CB -0.014 42.155 42.059 0.182 0.000 1.360 289 L HN 0.405 nan 8.230 nan 0.000 0.529 290 S N -1.451 114.419 115.700 0.282 0.000 2.562 290 S HA -0.106 4.361 4.470 -0.005 0.000 0.221 290 S C 1.712 176.477 174.600 0.275 0.000 0.975 290 S CA 0.286 58.669 58.200 0.305 0.000 0.918 290 S CB -0.372 63.018 63.200 0.316 0.000 0.772 290 S HN 0.633 nan 8.310 nan 0.000 0.531 291 N N 2.346 121.211 118.700 0.276 0.000 2.192 291 N HA -0.142 4.596 4.740 -0.005 0.000 0.188 291 N C 1.495 177.134 175.510 0.215 0.000 1.013 291 N CA 1.571 54.766 53.050 0.241 0.000 0.863 291 N CB -0.780 37.833 38.487 0.211 0.000 0.990 291 N HN 0.404 nan 8.380 nan 0.000 0.430 292 V N 1.681 121.710 119.914 0.192 0.000 2.427 292 V HA -0.161 3.956 4.120 -0.005 0.000 0.248 292 V C 2.622 178.840 176.094 0.206 0.000 1.051 292 V CA 0.959 63.364 62.300 0.175 0.000 1.048 292 V CB -0.410 31.491 31.823 0.129 0.000 0.666 292 V HN 0.237 nan 8.190 nan 0.000 0.456 293 I N 0.869 121.538 120.570 0.165 0.000 2.226 293 I HA -0.199 3.969 4.170 -0.005 0.000 0.245 293 I C 2.688 178.912 176.117 0.180 0.000 1.100 293 I CA 1.970 63.353 61.300 0.139 0.000 1.374 293 I CB -1.679 36.384 38.000 0.105 0.000 1.057 293 I HN 0.321 nan 8.210 nan 0.000 0.413 294 A N -0.061 122.872 122.820 0.188 0.000 1.969 294 A HA -0.253 4.064 4.320 -0.005 0.000 0.218 294 A C 2.274 179.965 177.584 0.178 0.000 1.169 294 A CA 1.770 53.902 52.037 0.159 0.000 0.635 294 A CB -1.012 18.087 19.000 0.166 0.000 0.810 294 A HN 0.542 nan 8.150 nan 0.000 0.445 295 H N -0.229 118.923 119.070 0.136 0.000 2.299 295 H HA -0.085 4.468 4.556 -0.005 0.000 0.302 295 H C 1.965 177.411 175.328 0.197 0.000 1.078 295 H CA 1.859 57.991 56.048 0.140 0.000 1.323 295 H CB 0.121 29.982 29.762 0.166 0.000 1.381 295 H HN 0.343 nan 8.280 nan 0.000 0.498 296 E N 0.481 120.913 120.200 0.388 0.000 2.110 296 E HA -0.138 4.210 4.350 -0.005 0.000 0.193 296 E C 2.529 179.320 176.600 0.318 0.000 0.988 296 E CA 1.027 57.665 56.400 0.397 0.000 0.804 296 E CB -0.224 29.691 29.700 0.358 0.000 0.745 296 E HN 0.619 nan 8.360 nan 0.000 0.458 297 I N 1.017 121.708 120.570 0.201 0.000 2.226 297 I HA -0.253 3.914 4.170 -0.005 0.000 0.245 297 I C 2.265 178.560 176.117 0.296 0.000 1.100 297 I CA 0.947 62.285 61.300 0.064 0.000 1.374 297 I CB -0.231 37.705 38.000 -0.107 0.000 1.057 297 I HN -0.031 nan 8.210 nan 0.000 0.413 298 S N -0.487 115.347 115.700 0.222 0.000 2.383 298 S HA -0.222 4.245 4.470 -0.005 0.000 0.229 298 S C 1.902 176.694 174.600 0.319 0.000 1.030 298 S CA 1.075 59.427 58.200 0.254 0.000 1.002 298 S CB -0.531 62.685 63.200 0.027 0.000 0.829 298 S HN 0.439 nan 8.310 nan 0.000 0.467 299 H N 1.546 120.722 119.070 0.176 0.000 2.518 299 H HA 0.023 4.576 4.556 -0.005 0.000 0.292 299 H C 2.049 177.436 175.328 0.099 0.000 1.068 299 H CA 1.105 57.226 56.048 0.121 0.000 1.275 299 H CB -0.343 29.458 29.762 0.065 0.000 1.375 299 H HN 0.336 nan 8.280 nan 0.000 0.563 300 S N -0.584 115.247 115.700 0.217 0.000 2.500 300 S HA -0.122 4.346 4.470 -0.005 0.000 0.239 300 S C 1.553 176.033 174.600 -0.201 0.000 0.989 300 S CA 0.536 58.644 58.200 -0.155 0.000 0.951 300 S CB 0.016 63.029 63.200 -0.312 0.000 0.759 300 S HN 0.556 nan 8.310 nan 0.000 0.523 301 W N 1.174 122.583 121.300 0.182 0.000 3.412 301 W HA 0.150 4.807 4.660 -0.005 0.000 0.236 301 W C 0.405 176.957 176.519 0.056 0.000 1.030 301 W CA 0.213 57.623 57.345 0.108 0.000 1.850 301 W CB -0.758 28.751 29.460 0.081 0.000 0.979 301 W HN 0.151 nan 8.180 nan 0.000 0.716 302 T N -0.575 114.179 114.554 0.333 0.000 2.891 302 T HA 0.603 4.951 4.350 -0.005 0.000 0.315 302 T C 0.654 175.513 174.700 0.265 0.000 1.054 302 T CA 0.494 62.722 62.100 0.213 0.000 0.958 302 T CB 0.918 69.915 68.868 0.215 0.000 1.008 302 T HN 0.350 nan 8.240 nan 0.000 0.521 303 G N 4.337 113.262 108.800 0.208 0.000 3.131 303 G HA2 -0.251 3.706 3.960 -0.005 0.000 0.198 303 G HA3 -0.251 3.706 3.960 -0.005 0.000 0.198 303 G C 0.949 175.948 174.900 0.164 0.000 1.435 303 G CA -0.113 45.149 45.100 0.269 0.000 1.016 303 G HN 0.532 nan 8.290 nan 0.000 0.499 304 N N 0.592 119.364 118.700 0.120 0.000 2.395 304 N HA 0.299 5.036 4.740 -0.005 0.000 0.175 304 N C 2.126 177.754 175.510 0.197 0.000 1.029 304 N CA 1.059 54.139 53.050 0.049 0.000 0.897 304 N CB 0.074 38.435 38.487 -0.210 0.000 0.991 304 N HN 0.498 nan 8.380 nan 0.000 0.441 305 L N -0.654 120.631 121.223 0.102 0.000 2.347 305 L HA 0.254 4.591 4.340 -0.005 0.000 0.196 305 L C 0.393 177.174 176.870 -0.148 0.000 1.072 305 L CA 0.146 54.923 54.840 -0.105 0.000 0.817 305 L CB 0.318 42.232 42.059 -0.241 0.000 1.029 305 L HN -0.069 nan 8.230 nan 0.000 0.478 306 V N 0.914 120.757 119.914 -0.118 0.000 2.350 306 V HA 0.375 4.492 4.120 -0.005 0.000 0.276 306 V C -0.474 175.568 176.094 -0.087 0.000 1.028 306 V CA -0.049 62.152 62.300 -0.166 0.000 0.860 306 V CB 1.331 32.937 31.823 -0.361 0.000 0.990 306 V HN 0.162 nan 8.190 nan 0.000 0.453 307 T N 7.102 121.609 114.554 -0.078 0.000 2.885 307 T HA 0.389 4.736 4.350 -0.005 0.000 0.285 307 T C -0.122 174.518 174.700 -0.100 0.000 1.019 307 T CA -0.545 61.540 62.100 -0.025 0.000 1.010 307 T CB 0.891 69.770 68.868 0.018 0.000 1.022 307 T HN 0.925 nan 8.240 nan 0.000 0.466 308 N N 1.994 120.630 118.700 -0.106 0.000 2.458 308 N HA 0.059 4.797 4.740 -0.005 0.000 0.258 308 N C 0.796 176.170 175.510 -0.226 0.000 1.219 308 N CA -0.474 52.477 53.050 -0.165 0.000 0.902 308 N CB 1.293 39.705 38.487 -0.125 0.000 1.076 308 N HN 0.544 nan 8.380 nan 0.000 0.455 309 K N 0.427 120.714 120.400 -0.188 0.000 2.103 309 K HA -0.079 4.239 4.320 -0.005 0.000 0.204 309 K C 0.581 177.064 176.600 -0.196 0.000 1.052 309 K CA 1.269 57.455 56.287 -0.168 0.000 0.945 309 K CB 0.102 32.514 32.500 -0.146 0.000 0.722 309 K HN 0.872 nan 8.250 nan 0.000 0.443 310 T N -5.291 109.171 114.554 -0.154 0.000 2.812 310 T HA 0.195 4.542 4.350 -0.005 0.000 0.294 310 T C -0.143 174.392 174.700 -0.275 0.000 1.159 310 T CA -0.929 61.028 62.100 -0.239 0.000 1.008 310 T CB 0.207 69.089 68.868 0.024 0.000 1.289 310 T HN 0.255 nan 8.240 nan 0.000 0.514 311 W N 0.172 121.489 121.300 0.028 0.000 2.800 311 W HA 0.147 4.803 4.660 -0.007 0.000 0.249 311 W C 1.189 177.701 176.519 -0.012 0.000 1.294 311 W CA -0.111 57.210 57.345 -0.041 0.000 1.402 311 W CB -0.052 29.311 29.460 -0.161 0.000 1.126 311 W HN 0.695 nan 8.180 nan 0.000 0.652 312 D N -1.267 119.190 120.400 0.096 0.000 2.310 312 D HA -0.126 4.511 4.640 -0.005 0.000 0.212 312 D C 1.380 177.552 176.300 -0.215 0.000 0.965 312 D CA 1.257 55.206 54.000 -0.085 0.000 0.879 312 D CB -0.262 40.391 40.800 -0.245 0.000 0.921 312 D HN 0.344 nan 8.370 nan 0.000 0.510 313 H N -1.243 117.946 119.070 0.199 0.000 2.592 313 H HA 0.071 4.625 4.556 -0.003 0.000 0.279 313 H C 1.182 176.553 175.328 0.071 0.000 1.089 313 H CA -0.411 55.719 56.048 0.137 0.000 1.150 313 H CB -0.031 29.729 29.762 -0.004 0.000 1.575 313 H HN 0.047 nan 8.280 nan 0.000 0.547 314 F N 2.761 122.777 119.950 0.110 0.000 2.115 314 F HA -0.304 4.220 4.527 -0.005 0.000 0.300 314 F C 2.416 178.258 175.800 0.070 0.000 1.092 314 F CA 1.591 59.666 58.000 0.126 0.000 1.245 314 F CB -0.422 38.719 39.000 0.235 0.000 0.995 314 F HN 0.399 nan 8.300 nan 0.000 0.481 315 W N 0.701 122.004 121.300 0.005 0.000 2.321 315 W HA -0.251 4.406 4.660 -0.005 0.000 0.285 315 W C 1.590 178.040 176.519 -0.114 0.000 1.213 315 W CA 1.195 58.455 57.345 -0.141 0.000 1.205 315 W CB -1.518 27.903 29.460 -0.064 0.000 1.134 315 W HN 0.172 nan 8.180 nan 0.000 0.549 316 L N 1.245 121.956 121.223 -0.854 0.000 2.046 316 L HA -0.259 4.078 4.340 -0.005 0.000 0.208 316 L C 2.572 179.306 176.870 -0.226 0.000 1.077 316 L CA 1.900 56.239 54.840 -0.834 0.000 0.747 316 L CB -0.994 40.657 42.059 -0.679 0.000 0.896 316 L HN -0.022 nan 8.230 nan 0.000 0.432 317 N N -0.236 118.355 118.700 -0.180 0.000 2.028 317 N HA -0.175 4.562 4.740 -0.005 0.000 0.194 317 N C 1.804 177.268 175.510 -0.077 0.000 1.050 317 N CA 1.274 54.304 53.050 -0.034 0.000 0.848 317 N CB -0.185 38.319 38.487 0.028 0.000 1.038 317 N HN 0.210 nan 8.380 nan 0.000 0.423 318 E N -0.222 119.772 120.200 -0.342 0.000 2.072 318 E HA 0.021 4.368 4.350 -0.005 0.000 0.190 318 E C 2.062 178.617 176.600 -0.076 0.000 0.982 318 E CA 0.941 57.111 56.400 -0.383 0.000 0.803 318 E CB -0.774 28.271 29.700 -1.092 0.000 0.755 318 E HN 0.428 nan 8.360 nan 0.000 0.453 319 G N 0.627 109.443 108.800 0.025 0.000 2.404 319 G HA2 -0.252 3.705 3.960 -0.005 0.000 0.215 319 G HA3 -0.252 3.705 3.960 -0.005 0.000 0.215 319 G C 1.239 176.250 174.900 0.184 0.000 1.174 319 G CA 0.893 46.106 45.100 0.188 0.000 0.780 319 G HN 0.323 nan 8.290 nan 0.000 0.537 320 H N 0.008 119.165 119.070 0.145 0.000 2.421 320 H HA 0.015 4.568 4.556 -0.005 0.000 0.298 320 H C 2.845 178.304 175.328 0.220 0.000 1.087 320 H CA 1.701 57.883 56.048 0.223 0.000 1.330 320 H CB -0.061 29.796 29.762 0.157 0.000 1.388 320 H HN 0.285 nan 8.280 nan 0.000 0.526 321 T N -0.330 114.301 114.554 0.128 0.000 2.812 321 T HA -0.104 4.244 4.350 -0.005 0.000 0.264 321 T C 2.292 176.993 174.700 0.002 0.000 1.042 321 T CA 1.194 63.209 62.100 -0.141 0.000 1.140 321 T CB -0.344 68.053 68.868 -0.784 0.000 0.870 321 T HN 0.101 nan 8.240 nan 0.000 0.445 322 V N 0.597 120.628 119.914 0.195 0.000 2.343 322 V HA -0.183 3.934 4.120 -0.005 0.000 0.247 322 V C 2.017 178.279 176.094 0.280 0.000 1.051 322 V CA 1.573 64.029 62.300 0.259 0.000 1.036 322 V CB -0.768 31.213 31.823 0.263 0.000 0.654 322 V HN 0.480 nan 8.190 nan 0.000 0.451 323 Y N 0.343 120.907 120.300 0.439 0.000 2.097 323 Y HA -0.235 4.312 4.550 -0.005 0.000 0.282 323 Y C 2.274 178.424 175.900 0.416 0.000 1.152 323 Y CA 1.798 60.233 58.100 0.558 0.000 1.136 323 Y CB -0.192 38.539 38.460 0.453 0.000 0.975 323 Y HN 0.111 nan 8.280 nan 0.000 0.498 324 L N 0.058 121.498 121.223 0.363 0.000 2.056 324 L HA -0.202 4.135 4.340 -0.005 0.000 0.207 324 L C 2.573 179.520 176.870 0.128 0.000 1.078 324 L CA 1.793 56.772 54.840 0.230 0.000 0.749 324 L CB -0.694 41.470 42.059 0.175 0.000 0.901 324 L HN 0.350 nan 8.230 nan 0.000 0.433 325 E N 0.714 120.975 120.200 0.101 0.000 2.086 325 E HA -0.307 4.040 4.350 -0.005 0.000 0.200 325 E C 2.266 178.900 176.600 0.056 0.000 1.012 325 E CA 1.705 58.162 56.400 0.096 0.000 0.812 325 E CB -0.021 29.768 29.700 0.149 0.000 0.743 325 E HN 0.394 nan 8.360 nan 0.000 0.453 326 R N -0.900 119.577 120.500 -0.038 0.000 2.148 326 R HA -0.073 4.264 4.340 -0.005 0.000 0.227 326 R C 2.551 178.778 176.300 -0.122 0.000 1.103 326 R CA 1.096 57.109 56.100 -0.145 0.000 0.983 326 R CB -0.235 29.859 30.300 -0.344 0.000 0.874 326 R HN 0.382 nan 8.270 nan 0.000 0.451 327 H N 0.540 119.583 119.070 -0.045 0.000 2.357 327 H HA -0.034 4.519 4.556 -0.005 0.000 0.301 327 H C 2.172 177.515 175.328 0.025 0.000 1.082 327 H CA 1.364 57.401 56.048 -0.018 0.000 1.342 327 H CB -0.004 29.724 29.762 -0.056 0.000 1.389 327 H HN 0.148 nan 8.280 nan 0.000 0.511 328 I N -0.086 120.572 120.570 0.146 0.000 2.179 328 I HA -0.315 3.852 4.170 -0.005 0.000 0.242 328 I C 2.727 178.908 176.117 0.108 0.000 1.088 328 I CA 0.999 62.354 61.300 0.092 0.000 1.357 328 I CB -0.307 37.737 38.000 0.073 0.000 1.051 328 I HN 0.215 nan 8.210 nan 0.000 0.409 329 C N 0.834 120.242 119.300 0.180 0.000 2.413 329 C HA -0.121 4.336 4.460 -0.005 0.000 0.276 329 C C 2.950 178.169 174.990 0.380 0.000 1.248 329 C CA 1.126 60.353 59.018 0.348 0.000 1.742 329 C CB -1.779 26.203 27.740 0.403 0.000 2.017 329 C HN 0.694 nan 8.230 nan 0.000 0.481 330 G N -0.263 108.687 108.800 0.251 0.000 2.422 330 G HA2 -0.154 3.804 3.960 -0.005 0.000 0.218 330 G HA3 -0.154 3.804 3.960 -0.005 0.000 0.218 330 G C 1.853 176.847 174.900 0.156 0.000 1.140 330 G CA 0.270 45.512 45.100 0.237 0.000 0.775 330 G HN 0.473 nan 8.290 nan 0.000 0.545 331 R N -0.170 120.391 120.500 0.102 0.000 2.070 331 R HA 0.072 4.410 4.340 -0.005 0.000 0.233 331 R C 2.638 178.888 176.300 -0.082 0.000 1.137 331 R CA 0.802 56.919 56.100 0.027 0.000 0.945 331 R CB -0.734 29.572 30.300 0.010 0.000 0.845 331 R HN 0.365 nan 8.270 nan 0.000 0.430 332 L N -0.749 120.349 121.223 -0.210 0.000 2.046 332 L HA -0.141 4.197 4.340 -0.005 0.000 0.208 332 L C 1.479 177.938 176.870 -0.685 0.000 1.077 332 L CA 1.489 55.964 54.840 -0.608 0.000 0.747 332 L CB -0.144 41.289 42.059 -1.044 0.000 0.896 332 L HN 0.128 nan 8.230 nan 0.000 0.432 333 F N -1.231 118.733 119.950 0.024 0.000 2.746 333 F HA 0.454 4.978 4.527 -0.005 0.000 0.320 333 F C 0.897 176.702 175.800 0.008 0.000 1.097 333 F CA 0.106 58.064 58.000 -0.070 0.000 1.195 333 F CB 0.536 39.335 39.000 -0.335 0.000 1.056 333 F HN 0.010 nan 8.300 nan 0.000 0.562 334 G N 0.903 109.830 108.800 0.212 0.000 2.576 334 G HA2 -0.116 3.842 3.960 -0.005 0.000 0.686 334 G HA3 -0.116 3.842 3.960 -0.005 0.000 0.686 334 G C 0.037 175.072 174.900 0.224 0.000 1.242 334 G CA -0.366 44.840 45.100 0.177 0.000 0.819 334 G HN 0.036 nan 8.290 nan 0.000 0.655 335 E N 0.294 120.593 120.200 0.164 0.000 2.153 335 E HA -0.042 4.305 4.350 -0.005 0.000 0.194 335 E C 2.264 178.960 176.600 0.161 0.000 0.988 335 E CA 2.138 58.640 56.400 0.169 0.000 0.811 335 E CB -0.091 29.674 29.700 0.109 0.000 0.746 335 E HN 0.604 nan 8.360 nan 0.000 0.466 336 K N -0.826 119.650 120.400 0.127 0.000 2.148 336 K HA -0.111 4.206 4.320 -0.005 0.000 0.204 336 K C 1.898 178.663 176.600 0.276 0.000 1.050 336 K CA 1.109 57.482 56.287 0.143 0.000 0.942 336 K CB -0.259 32.304 32.500 0.105 0.000 0.724 336 K HN 0.164 nan 8.250 nan 0.000 0.446 337 F N 2.059 122.082 119.950 0.121 0.000 2.206 337 F HA -0.048 4.476 4.527 -0.004 0.000 0.298 337 F C 2.399 178.319 175.800 0.200 0.000 1.090 337 F CA 1.008 59.080 58.000 0.119 0.000 1.323 337 F CB -0.075 38.947 39.000 0.038 0.000 1.028 337 F HN -0.170 nan 8.300 nan 0.000 0.492 338 R N -0.571 120.037 120.500 0.179 0.000 2.083 338 R HA -0.208 4.129 4.340 -0.005 0.000 0.237 338 R C 2.418 178.752 176.300 0.056 0.000 1.137 338 R CA 2.183 58.317 56.100 0.057 0.000 0.951 338 R CB -0.711 29.666 30.300 0.128 0.000 0.851 338 R HN 0.441 nan 8.270 nan 0.000 0.434 339 H N -1.197 117.918 119.070 0.076 0.000 2.353 339 H HA -0.175 4.378 4.556 -0.004 0.000 0.300 339 H C 2.027 177.413 175.328 0.096 0.000 1.090 339 H CA 1.554 57.694 56.048 0.153 0.000 1.327 339 H CB -0.259 29.660 29.762 0.262 0.000 1.383 339 H HN 0.247 nan 8.280 nan 0.000 0.508 340 F N 2.327 122.312 119.950 0.059 0.000 2.063 340 F HA -0.293 4.232 4.527 -0.004 0.000 0.298 340 F C 1.896 177.581 175.800 -0.191 0.000 1.109 340 F CA 2.137 60.100 58.000 -0.061 0.000 1.212 340 F CB -0.486 38.467 39.000 -0.078 0.000 0.973 340 F HN 0.071 nan 8.300 nan 0.000 0.480 341 N N 0.032 118.544 118.700 -0.314 0.000 2.171 341 N HA -0.088 4.649 4.740 -0.005 0.000 0.184 341 N C 2.040 177.295 175.510 -0.425 0.000 1.021 341 N CA 0.965 53.746 53.050 -0.449 0.000 0.854 341 N CB -0.436 37.779 38.487 -0.454 0.000 0.994 341 N HN 0.403 nan 8.380 nan 0.000 0.426 342 A N 1.128 123.722 122.820 -0.377 0.000 1.892 342 A HA -0.176 4.141 4.320 -0.005 0.000 0.218 342 A C 2.108 179.573 177.584 -0.199 0.000 1.188 342 A CA 1.316 53.176 52.037 -0.296 0.000 0.631 342 A CB -0.741 18.096 19.000 -0.271 0.000 0.822 342 A HN 0.279 nan 8.150 nan 0.000 0.447 343 L N -0.174 120.830 121.223 -0.365 0.000 2.072 343 L HA 0.105 4.442 4.340 -0.005 0.000 0.205 343 L C 2.418 179.062 176.870 -0.378 0.000 1.079 343 L CA 2.266 56.715 54.840 -0.653 0.000 0.752 343 L CB -1.275 40.468 42.059 -0.528 0.000 0.906 343 L HN 0.289 nan 8.230 nan 0.000 0.436 344 G N -0.812 107.742 108.800 -0.409 0.000 2.442 344 G HA2 -0.256 3.701 3.960 -0.005 0.000 0.219 344 G HA3 -0.256 3.701 3.960 -0.005 0.000 0.219 344 G C 1.502 176.287 174.900 -0.191 0.000 1.141 344 G CA 0.649 45.555 45.100 -0.323 0.000 0.763 344 G HN 0.597 nan 8.290 nan 0.000 0.554 345 G N -0.303 108.387 108.800 -0.183 0.000 2.422 345 G HA2 -0.215 3.742 3.960 -0.005 0.000 0.218 345 G HA3 -0.215 3.742 3.960 -0.005 0.000 0.218 345 G C 1.560 176.471 174.900 0.018 0.000 1.140 345 G CA 0.764 45.804 45.100 -0.099 0.000 0.775 345 G HN 0.439 nan 8.290 nan 0.000 0.545 346 W N 2.035 123.261 121.300 -0.125 0.000 2.363 346 W HA -0.093 4.566 4.660 -0.003 0.000 0.296 346 W C 2.192 178.654 176.519 -0.094 0.000 1.212 346 W CA 1.506 58.809 57.345 -0.071 0.000 1.260 346 W CB -0.480 28.884 29.460 -0.159 0.000 1.131 346 W HN 0.224 nan 8.180 nan 0.000 0.530 347 G N 0.737 109.565 108.800 0.047 0.000 2.446 347 G HA2 -0.316 3.641 3.960 -0.005 0.000 0.217 347 G HA3 -0.316 3.641 3.960 -0.005 0.000 0.217 347 G C 1.332 176.167 174.900 -0.108 0.000 1.168 347 G CA 1.110 46.189 45.100 -0.035 0.000 0.771 347 G HN 0.181 nan 8.290 nan 0.000 0.551 348 E N 0.003 120.140 120.200 -0.106 0.000 2.153 348 E HA -0.077 4.270 4.350 -0.005 0.000 0.194 348 E C 2.453 178.971 176.600 -0.137 0.000 0.988 348 E CA 0.455 56.791 56.400 -0.107 0.000 0.811 348 E CB -0.372 29.270 29.700 -0.096 0.000 0.746 348 E HN 0.402 nan 8.360 nan 0.000 0.466 349 L N 1.258 122.364 121.223 -0.196 0.000 2.093 349 L HA -0.157 4.180 4.340 -0.005 0.000 0.208 349 L C 2.057 178.737 176.870 -0.317 0.000 1.085 349 L CA 1.673 56.353 54.840 -0.266 0.000 0.755 349 L CB -0.399 41.419 42.059 -0.402 0.000 0.904 349 L HN 0.037 nan 8.230 nan 0.000 0.435 350 Q N -0.697 118.880 119.800 -0.371 0.000 2.084 350 Q HA -0.187 4.150 4.340 -0.005 0.000 0.202 350 Q C 1.943 177.847 176.000 -0.161 0.000 0.978 350 Q CA 1.588 57.230 55.803 -0.268 0.000 0.844 350 Q CB -0.269 28.354 28.738 -0.193 0.000 0.898 350 Q HN 0.538 nan 8.270 nan 0.000 0.426 351 N N 0.353 118.969 118.700 -0.141 0.000 2.036 351 N HA -0.143 4.594 4.740 -0.005 0.000 0.195 351 N C 1.858 177.294 175.510 -0.124 0.000 1.037 351 N CA 1.631 54.611 53.050 -0.117 0.000 0.855 351 N CB -0.552 37.873 38.487 -0.103 0.000 1.033 351 N HN 0.050 nan 8.380 nan 0.000 0.423 352 S N 0.074 115.705 115.700 -0.115 0.000 2.368 352 S HA -0.031 4.437 4.470 -0.005 0.000 0.225 352 S C 2.207 176.801 174.600 -0.011 0.000 1.030 352 S CA 0.636 58.780 58.200 -0.094 0.000 0.999 352 S CB -0.216 62.987 63.200 0.005 0.000 0.844 352 S HN 0.093 nan 8.310 nan 0.000 0.459 353 V N 1.810 121.715 119.914 -0.015 0.000 2.343 353 V HA -0.156 3.961 4.120 -0.005 0.000 0.247 353 V C 2.427 178.521 176.094 -0.000 0.000 1.051 353 V CA 1.548 63.859 62.300 0.019 0.000 1.036 353 V CB -0.466 31.317 31.823 -0.066 0.000 0.654 353 V HN 0.398 nan 8.190 nan 0.000 0.451 354 K N -0.398 119.969 120.400 -0.054 0.000 2.063 354 K HA -0.191 4.126 4.320 -0.005 0.000 0.208 354 K C 2.238 178.797 176.600 -0.069 0.000 1.048 354 K CA 2.005 58.258 56.287 -0.057 0.000 0.928 354 K CB -0.299 32.158 32.500 -0.071 0.000 0.713 354 K HN 0.512 nan 8.250 nan 0.000 0.442 355 T N 0.759 115.236 114.554 -0.128 0.000 2.614 355 T HA -0.134 4.213 4.350 -0.005 0.000 0.263 355 T C 1.616 176.202 174.700 -0.189 0.000 1.055 355 T CA 1.606 63.580 62.100 -0.211 0.000 1.162 355 T CB -0.405 68.237 68.868 -0.377 0.000 0.863 355 T HN 0.101 nan 8.240 nan 0.000 0.414 356 F N 1.606 121.479 119.950 -0.129 0.000 2.161 356 F HA 0.213 4.737 4.527 -0.004 0.000 0.300 356 F C 1.817 177.557 175.800 -0.100 0.000 1.089 356 F CA 1.005 58.867 58.000 -0.231 0.000 1.282 356 F CB -0.861 37.953 39.000 -0.310 0.000 1.010 356 F HN 0.464 nan 8.300 nan 0.000 0.485 357 G N -0.097 108.787 108.800 0.139 0.000 2.906 357 G HA2 -0.111 3.846 3.960 -0.005 0.000 0.686 357 G HA3 -0.111 3.846 3.960 -0.005 0.000 0.686 357 G C 0.413 175.375 174.900 0.102 0.000 1.170 357 G CA -0.222 44.936 45.100 0.098 0.000 0.775 357 G HN 0.385 nan 8.290 nan 0.000 0.630 358 E N -0.286 119.940 120.200 0.044 0.000 2.409 358 E HA -0.061 4.287 4.350 -0.005 0.000 0.198 358 E C 1.797 178.405 176.600 0.014 0.000 1.024 358 E CA 1.743 58.154 56.400 0.018 0.000 0.861 358 E CB -0.077 29.616 29.700 -0.011 0.000 0.788 358 E HN 0.894 nan 8.360 nan 0.000 0.521 359 T N -3.149 111.420 114.554 0.025 0.000 3.023 359 T HA 0.041 4.389 4.350 -0.005 0.000 0.253 359 T C 0.352 175.046 174.700 -0.010 0.000 1.038 359 T CA -0.379 61.720 62.100 -0.002 0.000 0.962 359 T CB -0.428 68.428 68.868 -0.020 0.000 1.018 359 T HN 0.270 nan 8.240 nan 0.000 0.521 360 H N 3.455 122.486 119.070 -0.065 0.000 3.001 360 H HA 0.139 4.696 4.556 0.003 0.000 0.334 360 H C -1.366 173.861 175.328 -0.167 0.000 1.034 360 H CA -0.899 55.065 56.048 -0.139 0.000 1.420 360 H CB 1.064 30.748 29.762 -0.131 0.000 1.405 360 H HN -0.052 nan 8.280 nan 0.000 0.593 361 P HA -0.171 nan 4.420 nan 0.000 0.220 361 P C 0.766 178.154 177.300 0.148 0.000 1.148 361 P CA 1.038 64.066 63.100 -0.120 0.000 0.803 361 P CB 0.154 31.730 31.700 -0.207 0.000 0.782 362 F N 0.505 120.505 119.950 0.084 0.000 2.771 362 F HA 0.000 4.527 4.527 -0.001 0.000 0.299 362 F C 1.975 177.593 175.800 -0.304 0.000 1.177 362 F CA 0.869 58.720 58.000 -0.249 0.000 1.450 362 F CB -2.006 36.524 39.000 -0.783 0.000 1.114 362 F HN 0.067 nan 8.300 nan 0.000 0.587 363 T N -3.214 111.344 114.554 0.007 0.000 3.086 363 T HA 0.105 4.452 4.350 -0.005 0.000 0.250 363 T C 0.715 175.420 174.700 0.009 0.000 1.074 363 T CA -0.265 61.840 62.100 0.008 0.000 0.988 363 T CB -0.152 68.738 68.868 0.037 0.000 0.988 363 T HN -0.017 nan 8.240 nan 0.000 0.530 364 K N 0.628 121.047 120.400 0.030 0.000 2.295 364 K HA 0.288 4.605 4.320 -0.005 0.000 0.270 364 K C 0.784 177.381 176.600 -0.004 0.000 1.011 364 K CA -0.581 55.717 56.287 0.019 0.000 0.953 364 K CB 0.910 33.450 32.500 0.066 0.000 0.956 364 K HN -0.060 nan 8.250 nan 0.000 0.477 365 L N 2.860 124.029 121.223 -0.091 0.000 2.005 365 L HA -0.061 4.276 4.340 -0.005 0.000 0.207 365 L C 0.264 177.082 176.870 -0.087 0.000 1.072 365 L CA 1.577 56.297 54.840 -0.200 0.000 0.744 365 L CB 0.253 42.010 42.059 -0.503 0.000 0.895 365 L HN 0.340 nan 8.230 nan 0.000 0.433 366 V N 1.665 121.542 119.914 -0.062 0.000 2.385 366 V HA 0.317 4.434 4.120 -0.005 0.000 0.269 366 V C 0.118 176.291 176.094 0.132 0.000 1.043 366 V CA -0.614 61.757 62.300 0.117 0.000 0.906 366 V CB 0.734 32.681 31.823 0.207 0.000 0.995 366 V HN 0.119 nan 8.190 nan 0.000 0.467 367 V N 1.269 121.248 119.914 0.109 0.000 3.096 367 V HA 0.697 4.814 4.120 -0.005 0.000 0.319 367 V C -0.383 175.761 176.094 0.083 0.000 1.082 367 V CA -0.788 61.576 62.300 0.107 0.000 1.022 367 V CB 2.042 33.921 31.823 0.094 0.000 1.103 367 V HN 0.736 nan 8.190 nan 0.000 0.455 368 D N 1.253 121.711 120.400 0.096 0.000 2.460 368 D HA 0.364 5.002 4.640 -0.005 0.000 0.232 368 D C 0.192 176.546 176.300 0.089 0.000 1.079 368 D CA -0.253 53.797 54.000 0.083 0.000 0.864 368 D CB 1.021 41.870 40.800 0.080 0.000 1.048 368 D HN 0.607 nan 8.370 nan 0.000 0.523 369 L N 3.283 124.552 121.223 0.076 0.000 2.688 369 L HA 0.069 4.407 4.340 -0.005 0.000 0.234 369 L C 1.881 178.813 176.870 0.102 0.000 1.192 369 L CA -0.058 54.821 54.840 0.066 0.000 0.984 369 L CB -0.199 41.883 42.059 0.039 0.000 1.232 369 L HN 0.376 nan 8.230 nan 0.000 0.465 370 T N -0.152 114.465 114.554 0.105 0.000 2.592 370 T HA -0.230 4.117 4.350 -0.005 0.000 0.267 370 T C 1.034 175.821 174.700 0.144 0.000 1.060 370 T CA 1.759 63.925 62.100 0.110 0.000 1.167 370 T CB -0.053 68.865 68.868 0.084 0.000 0.863 370 T HN 0.383 nan 8.240 nan 0.000 0.431 371 D N 0.231 120.721 120.400 0.149 0.000 2.501 371 D HA 0.212 4.849 4.640 -0.005 0.000 0.226 371 D C -0.439 176.007 176.300 0.243 0.000 1.198 371 D CA -0.114 54.009 54.000 0.205 0.000 0.830 371 D CB 0.405 41.291 40.800 0.143 0.000 1.014 371 D HN 0.256 nan 8.370 nan 0.000 0.496 372 I N 1.376 122.034 120.570 0.147 0.000 2.359 372 I HA 0.114 4.281 4.170 -0.005 0.000 0.294 372 I C 0.509 176.388 176.117 -0.397 0.000 0.987 372 I CA -0.970 60.317 61.300 -0.022 0.000 1.225 372 I CB 1.439 39.453 38.000 0.024 0.000 1.366 372 I HN -0.182 nan 8.210 nan 0.000 0.466 373 D N 8.779 128.689 120.400 -0.817 0.000 2.371 373 D HA 0.121 4.758 4.640 -0.005 0.000 0.256 373 D C -1.730 174.226 176.300 -0.574 0.000 1.193 373 D CA -1.713 51.566 54.000 -1.201 0.000 0.881 373 D CB 1.606 41.856 40.800 -0.917 0.000 1.143 373 D HN 0.193 nan 8.370 nan 0.000 0.473 374 P HA -0.106 nan 4.420 nan 0.000 0.219 374 P C 0.538 177.628 177.300 -0.350 0.000 1.146 374 P CA 0.778 63.617 63.100 -0.435 0.000 0.808 374 P CB 0.335 31.694 31.700 -0.569 0.000 0.779 375 D N -1.386 118.843 120.400 -0.284 0.000 2.269 375 D HA -0.062 4.576 4.640 -0.005 0.000 0.208 375 D C 1.849 178.114 176.300 -0.058 0.000 0.963 375 D CA 0.751 54.672 54.000 -0.131 0.000 0.864 375 D CB -0.329 40.440 40.800 -0.051 0.000 0.936 375 D HN 0.052 nan 8.370 nan 0.000 0.505 376 V N 0.769 120.609 119.914 -0.122 0.000 2.649 376 V HA -0.027 4.091 4.120 -0.005 0.000 0.248 376 V C 2.331 178.388 176.094 -0.061 0.000 1.054 376 V CA 1.370 63.654 62.300 -0.027 0.000 1.073 376 V CB -0.251 31.569 31.823 -0.005 0.000 0.699 376 V HN 0.149 nan 8.190 nan 0.000 0.463 377 A N -1.195 121.378 122.820 -0.412 0.000 2.067 377 A HA -0.049 4.268 4.320 -0.005 0.000 0.217 377 A C 1.159 178.560 177.584 -0.304 0.000 1.156 377 A CA 0.229 51.710 52.037 -0.926 0.000 0.683 377 A CB -0.468 17.848 19.000 -1.140 0.000 0.808 377 A HN 0.534 nan 8.150 nan 0.000 0.455 378 Y N 1.966 122.160 120.300 -0.177 0.000 2.620 378 Y HA 0.328 4.875 4.550 -0.006 0.000 0.330 378 Y C 0.697 176.698 175.900 0.169 0.000 1.186 378 Y CA 0.435 58.535 58.100 0.001 0.000 1.467 378 Y CB 0.358 38.807 38.460 -0.018 0.000 1.262 378 Y HN 0.415 nan 8.280 nan 0.000 0.550 379 S N 1.444 116.916 115.700 -0.380 0.000 2.680 379 S HA 0.243 4.710 4.470 -0.005 0.000 0.276 379 S C -0.014 174.482 174.600 -0.173 0.000 1.189 379 S CA -0.283 57.786 58.200 -0.219 0.000 0.909 379 S CB 0.773 64.128 63.200 0.259 0.000 1.227 379 S HN 0.416 nan 8.310 nan 0.000 0.501 380 S N 0.140 115.810 115.700 -0.050 0.000 2.528 380 S HA 0.112 4.580 4.470 -0.005 0.000 0.219 380 S C 1.791 176.496 174.600 0.174 0.000 0.985 380 S CA 0.678 58.875 58.200 -0.006 0.000 0.914 380 S CB -0.472 62.676 63.200 -0.086 0.000 0.776 380 S HN 0.539 nan 8.310 nan 0.000 0.526 381 V N 3.541 123.554 119.914 0.164 0.000 2.231 381 V HA -0.167 3.950 4.120 -0.005 0.000 0.248 381 V C -0.460 175.739 176.094 0.175 0.000 1.054 381 V CA 1.902 64.289 62.300 0.146 0.000 1.015 381 V CB -1.842 30.054 31.823 0.122 0.000 0.638 381 V HN 0.363 nan 8.190 nan 0.000 0.444 382 P HA -0.169 nan 4.420 nan 0.000 0.218 382 P C 1.280 178.637 177.300 0.094 0.000 1.148 382 P CA 1.755 64.946 63.100 0.152 0.000 0.822 382 P CB -0.112 31.653 31.700 0.108 0.000 0.784 383 Y N 0.793 121.145 120.300 0.086 0.000 2.109 383 Y HA -0.113 4.434 4.550 -0.005 0.000 0.285 383 Y C 2.741 178.743 175.900 0.170 0.000 1.131 383 Y CA 1.381 59.548 58.100 0.113 0.000 1.121 383 Y CB -0.973 37.524 38.460 0.062 0.000 0.987 383 Y HN -0.092 nan 8.280 nan 0.000 0.495 384 E N 0.084 120.472 120.200 0.314 0.000 2.122 384 E HA -0.105 4.242 4.350 -0.005 0.000 0.190 384 E C 1.982 178.745 176.600 0.271 0.000 0.977 384 E CA 0.619 57.175 56.400 0.260 0.000 0.820 384 E CB -0.175 29.596 29.700 0.119 0.000 0.770 384 E HN 0.386 nan 8.360 nan 0.000 0.462 385 K N 0.579 121.086 120.400 0.179 0.000 2.103 385 K HA -0.050 4.267 4.320 -0.005 0.000 0.204 385 K C 2.072 178.781 176.600 0.181 0.000 1.052 385 K CA 1.077 57.458 56.287 0.157 0.000 0.945 385 K CB -0.158 32.370 32.500 0.048 0.000 0.722 385 K HN 0.106 nan 8.250 nan 0.000 0.443 386 G N 0.879 109.784 108.800 0.174 0.000 2.433 386 G HA2 -0.294 3.664 3.960 -0.005 0.000 0.216 386 G HA3 -0.294 3.664 3.960 -0.005 0.000 0.216 386 G C 1.315 176.349 174.900 0.223 0.000 1.186 386 G CA 0.708 45.936 45.100 0.213 0.000 0.779 386 G HN 0.391 nan 8.290 nan 0.000 0.543 387 F N 2.511 122.571 119.950 0.183 0.000 2.134 387 F HA 0.037 4.561 4.527 -0.005 0.000 0.299 387 F C 2.784 178.730 175.800 0.243 0.000 1.097 387 F CA 1.472 59.599 58.000 0.211 0.000 1.264 387 F CB -0.314 38.806 39.000 0.199 0.000 1.001 387 F HN 0.228 nan 8.300 nan 0.000 0.479 388 A N 0.456 123.456 122.820 0.301 0.000 1.940 388 A HA -0.187 4.131 4.320 -0.005 0.000 0.219 388 A C 2.120 179.767 177.584 0.105 0.000 1.176 388 A CA 1.731 53.978 52.037 0.349 0.000 0.631 388 A CB -1.294 18.143 19.000 0.730 0.000 0.814 388 A HN 0.528 nan 8.150 nan 0.000 0.446 389 L N -0.141 121.015 121.223 -0.112 0.000 2.012 389 L HA -0.144 4.193 4.340 -0.005 0.000 0.210 389 L C 2.262 178.854 176.870 -0.463 0.000 1.073 389 L CA 1.856 56.293 54.840 -0.672 0.000 0.748 389 L CB -0.502 41.196 42.059 -0.602 0.000 0.891 389 L HN 0.421 nan 8.230 nan 0.000 0.431 390 L N -2.136 118.882 121.223 -0.341 0.000 2.093 390 L HA -0.176 4.161 4.340 -0.005 0.000 0.208 390 L C 2.408 178.885 176.870 -0.655 0.000 1.085 390 L CA 0.983 55.526 54.840 -0.496 0.000 0.755 390 L CB -0.719 41.089 42.059 -0.418 0.000 0.904 390 L HN 0.245 nan 8.230 nan 0.000 0.435 391 F N 0.042 119.593 119.950 -0.666 0.000 2.146 391 F HA -0.257 4.267 4.527 -0.005 0.000 0.298 391 F C 2.608 178.146 175.800 -0.436 0.000 1.096 391 F CA 1.162 58.839 58.000 -0.539 0.000 1.275 391 F CB -0.554 38.039 39.000 -0.679 0.000 1.008 391 F HN 0.027 nan 8.300 nan 0.000 0.480 392 Y N 0.724 120.753 120.300 -0.453 0.000 2.114 392 Y HA -0.267 4.281 4.550 -0.004 0.000 0.282 392 Y C 2.079 177.631 175.900 -0.580 0.000 1.165 392 Y CA 2.065 59.868 58.100 -0.496 0.000 1.148 392 Y CB -0.903 37.309 38.460 -0.413 0.000 0.972 392 Y HN 0.114 nan 8.280 nan 0.000 0.504 393 L N 0.284 120.959 121.223 -0.913 0.000 2.017 393 L HA -0.231 4.107 4.340 -0.005 0.000 0.208 393 L C 2.641 178.917 176.870 -0.990 0.000 1.073 393 L CA 1.945 56.190 54.840 -0.992 0.000 0.745 393 L CB -0.812 40.767 42.059 -0.801 0.000 0.894 393 L HN 0.331 nan 8.230 nan 0.000 0.432 394 E N 0.272 119.775 120.200 -1.162 0.000 2.086 394 E HA -0.322 4.025 4.350 -0.005 0.000 0.200 394 E C 2.119 178.443 176.600 -0.459 0.000 1.012 394 E CA 1.930 57.904 56.400 -0.711 0.000 0.812 394 E CB -0.038 29.433 29.700 -0.382 0.000 0.743 394 E HN 0.577 nan 8.360 nan 0.000 0.453 395 Q N -0.294 119.166 119.800 -0.567 0.000 2.245 395 Q HA -0.100 4.238 4.340 -0.005 0.000 0.201 395 Q C 2.267 178.027 176.000 -0.400 0.000 0.955 395 Q CA 0.589 56.117 55.803 -0.458 0.000 0.870 395 Q CB 0.033 28.452 28.738 -0.532 0.000 0.945 395 Q HN 0.263 nan 8.270 nan 0.000 0.461 396 L N 0.254 121.155 121.223 -0.537 0.000 2.056 396 L HA -0.098 4.239 4.340 -0.005 0.000 0.207 396 L C 1.676 178.313 176.870 -0.389 0.000 1.078 396 L CA 1.614 56.149 54.840 -0.508 0.000 0.749 396 L CB 0.004 41.602 42.059 -0.768 0.000 0.901 396 L HN 0.168 nan 8.230 nan 0.000 0.433 397 L N -1.522 119.453 121.223 -0.414 0.000 2.607 397 L HA 0.318 4.655 4.340 -0.005 0.000 0.228 397 L C 1.159 177.941 176.870 -0.147 0.000 1.123 397 L CA 0.586 55.208 54.840 -0.363 0.000 0.890 397 L CB -0.034 41.642 42.059 -0.638 0.000 1.103 397 L HN 0.488 nan 8.230 nan 0.000 0.468 398 G N -0.985 107.746 108.800 -0.114 0.000 2.227 398 G HA2 0.080 4.037 3.960 -0.005 0.000 0.168 398 G HA3 0.080 4.037 3.960 -0.005 0.000 0.168 398 G C 0.448 175.359 174.900 0.018 0.000 1.006 398 G CA -0.345 44.740 45.100 -0.025 0.000 0.684 398 G HN 0.698 nan 8.290 nan 0.000 0.489 399 G N -0.639 108.165 108.800 0.007 0.000 2.525 399 G HA2 0.367 4.325 3.960 -0.005 0.000 0.685 399 G HA3 0.367 4.325 3.960 -0.005 0.000 0.685 399 G C -1.175 173.839 174.900 0.190 0.000 1.290 399 G CA 0.259 45.395 45.100 0.061 0.000 0.915 399 G HN 0.555 nan 8.290 nan 0.000 0.548 400 P HA -0.034 nan 4.420 nan 0.000 0.217 400 P C 1.325 178.809 177.300 0.306 0.000 1.151 400 P CA 1.720 65.057 63.100 0.396 0.000 0.828 400 P CB 0.093 32.077 31.700 0.473 0.000 0.788 401 E N -0.094 120.233 120.200 0.213 0.000 2.051 401 E HA -0.140 4.208 4.350 -0.005 0.000 0.192 401 E C 2.264 178.980 176.600 0.193 0.000 0.991 401 E CA 0.985 57.480 56.400 0.158 0.000 0.799 401 E CB -0.550 29.221 29.700 0.118 0.000 0.748 401 E HN 0.261 nan 8.360 nan 0.000 0.449 402 I N 0.231 120.940 120.570 0.232 0.000 2.179 402 I HA -0.266 3.901 4.170 -0.005 0.000 0.242 402 I C 2.239 178.610 176.117 0.424 0.000 1.088 402 I CA 1.059 62.541 61.300 0.303 0.000 1.357 402 I CB -0.137 38.038 38.000 0.291 0.000 1.051 402 I HN 0.037 nan 8.210 nan 0.000 0.409 403 F N 0.574 120.697 119.950 0.288 0.000 2.367 403 F HA -0.050 4.474 4.527 -0.005 0.000 0.298 403 F C 2.069 178.075 175.800 0.343 0.000 1.094 403 F CA 1.162 59.368 58.000 0.344 0.000 1.409 403 F CB -0.011 39.127 39.000 0.230 0.000 1.064 403 F HN -0.097 nan 8.300 nan 0.000 0.528 404 L N -0.934 120.480 121.223 0.318 0.000 2.217 404 L HA -0.048 4.290 4.340 -0.005 0.000 0.211 404 L C 2.694 179.586 176.870 0.035 0.000 1.107 404 L CA 0.967 55.896 54.840 0.148 0.000 0.783 404 L CB -1.240 40.831 42.059 0.019 0.000 0.919 404 L HN 0.232 nan 8.230 nan 0.000 0.442 405 G N 0.125 108.966 108.800 0.070 0.000 2.440 405 G HA2 -0.354 3.604 3.960 -0.005 0.000 0.218 405 G HA3 -0.354 3.604 3.960 -0.005 0.000 0.218 405 G C 1.479 176.271 174.900 -0.179 0.000 1.154 405 G CA 0.769 45.896 45.100 0.045 0.000 0.767 405 G HN 0.357 nan 8.290 nan 0.000 0.552 406 F N 0.777 120.359 119.950 -0.612 0.000 2.146 406 F HA 0.048 4.572 4.527 -0.005 0.000 0.298 406 F C 2.208 177.701 175.800 -0.511 0.000 1.096 406 F CA 1.065 58.365 58.000 -1.168 0.000 1.275 406 F CB -0.285 38.027 39.000 -1.146 0.000 1.008 406 F HN 0.097 nan 8.300 nan 0.000 0.480 407 L N 1.211 122.123 121.223 -0.520 0.000 2.046 407 L HA -0.170 4.168 4.340 -0.005 0.000 0.208 407 L C 2.473 179.237 176.870 -0.176 0.000 1.077 407 L CA 1.942 56.596 54.840 -0.310 0.000 0.747 407 L CB -1.130 40.967 42.059 0.063 0.000 0.896 407 L HN 0.233 nan 8.230 nan 0.000 0.432 408 K N -0.966 119.340 120.400 -0.155 0.000 2.097 408 K HA -0.128 4.189 4.320 -0.005 0.000 0.205 408 K C 1.925 178.457 176.600 -0.114 0.000 1.050 408 K CA 1.197 57.418 56.287 -0.110 0.000 0.938 408 K CB -0.123 32.330 32.500 -0.079 0.000 0.718 408 K HN 0.406 nan 8.250 nan 0.000 0.442 409 A N 0.232 122.964 122.820 -0.146 0.000 1.969 409 A HA -0.168 4.149 4.320 -0.005 0.000 0.218 409 A C 1.957 179.492 177.584 -0.082 0.000 1.169 409 A CA 1.122 53.142 52.037 -0.028 0.000 0.635 409 A CB -0.660 18.421 19.000 0.135 0.000 0.810 409 A HN 0.597 nan 8.150 nan 0.000 0.445 410 Y N 0.436 120.544 120.300 -0.320 0.000 2.220 410 Y HA -0.111 4.436 4.550 -0.005 0.000 0.291 410 Y C 2.160 177.904 175.900 -0.259 0.000 1.129 410 Y CA 1.747 59.623 58.100 -0.374 0.000 1.161 410 Y CB -0.396 37.732 38.460 -0.552 0.000 0.997 410 Y HN 0.038 nan 8.280 nan 0.000 0.522 411 V N 1.177 120.902 119.914 -0.315 0.000 2.261 411 V HA -0.312 3.805 4.120 -0.005 0.000 0.246 411 V C 2.223 178.160 176.094 -0.262 0.000 1.047 411 V CA 2.366 64.494 62.300 -0.287 0.000 1.015 411 V CB -0.748 31.051 31.823 -0.041 0.000 0.642 411 V HN 0.438 nan 8.190 nan 0.000 0.446 412 E N 0.172 120.248 120.200 -0.207 0.000 2.049 412 E HA -0.338 4.009 4.350 -0.005 0.000 0.198 412 E C 2.227 178.642 176.600 -0.308 0.000 1.007 412 E CA 1.808 58.092 56.400 -0.194 0.000 0.809 412 E CB -0.261 29.359 29.700 -0.134 0.000 0.749 412 E HN 0.434 nan 8.360 nan 0.000 0.450 413 K N 0.372 120.474 120.400 -0.497 0.000 2.103 413 K HA -0.139 4.178 4.320 -0.005 0.000 0.207 413 K C 0.881 176.989 176.600 -0.820 0.000 1.048 413 K CA 1.381 57.186 56.287 -0.803 0.000 0.930 413 K CB -0.057 31.585 32.500 -1.429 0.000 0.716 413 K HN 0.066 nan 8.250 nan 0.000 0.444 414 F N 0.260 119.935 119.950 -0.458 0.000 2.735 414 F HA 0.387 4.912 4.527 -0.003 0.000 0.308 414 F C -0.015 175.575 175.800 -0.350 0.000 1.112 414 F CA -0.568 57.196 58.000 -0.394 0.000 1.235 414 F CB 0.257 38.954 39.000 -0.504 0.000 1.027 414 F HN -0.271 nan 8.300 nan 0.000 0.528 415 S N 0.043 115.601 115.700 -0.237 0.000 2.558 415 S HA 0.032 4.499 4.470 -0.005 0.000 0.288 415 S C 0.077 174.480 174.600 -0.329 0.000 1.318 415 S CA 0.257 58.195 58.200 -0.436 0.000 1.056 415 S CB -0.249 62.584 63.200 -0.610 0.000 0.853 415 S HN 0.514 nan 8.310 nan 0.000 0.505 416 Y N -0.955 119.299 120.300 -0.077 0.000 4.668 416 Y HA -0.248 4.299 4.550 -0.005 0.000 0.234 416 Y C 0.541 176.414 175.900 -0.044 0.000 1.056 416 Y CA 0.524 58.581 58.100 -0.072 0.000 2.025 416 Y CB -1.613 36.787 38.460 -0.101 0.000 1.613 416 Y HN 0.411 nan 8.280 nan 0.000 0.653 417 K N 0.256 120.674 120.400 0.030 0.000 2.306 417 K HA 0.789 5.106 4.320 -0.005 0.000 0.236 417 K C -0.192 176.391 176.600 -0.029 0.000 1.013 417 K CA -0.884 55.421 56.287 0.029 0.000 0.857 417 K CB 2.095 34.651 32.500 0.093 0.000 1.214 417 K HN -0.092 nan 8.250 nan 0.000 0.449 418 S N 1.288 116.960 115.700 -0.047 0.000 2.519 418 S HA 0.606 5.073 4.470 -0.005 0.000 0.309 418 S C -0.067 174.444 174.600 -0.147 0.000 1.100 418 S CA -0.835 57.307 58.200 -0.095 0.000 1.059 418 S CB 0.524 63.679 63.200 -0.075 0.000 1.008 418 S HN 0.564 nan 8.310 nan 0.000 0.478 419 I N 0.031 120.466 120.570 -0.225 0.000 3.145 419 I HA 0.825 4.992 4.170 -0.005 0.000 0.313 419 I C -0.036 175.886 176.117 -0.326 0.000 1.122 419 I CA -0.918 60.200 61.300 -0.303 0.000 0.987 419 I CB 2.181 39.859 38.000 -0.536 0.000 1.236 419 I HN 0.557 nan 8.210 nan 0.000 0.453 420 T N -1.288 113.054 114.554 -0.353 0.000 2.937 420 T HA 0.341 4.688 4.350 -0.005 0.000 0.283 420 T C 0.856 175.417 174.700 -0.232 0.000 1.012 420 T CA -0.134 61.623 62.100 -0.573 0.000 0.997 420 T CB 1.432 69.965 68.868 -0.557 0.000 1.136 420 T HN 0.693 nan 8.240 nan 0.000 0.551 421 T N 0.890 115.415 114.554 -0.049 0.000 2.759 421 T HA -0.108 4.239 4.350 -0.005 0.000 0.269 421 T C 1.453 176.395 174.700 0.403 0.000 1.042 421 T CA 1.543 63.875 62.100 0.386 0.000 1.140 421 T CB -0.545 68.750 68.868 0.712 0.000 0.864 421 T HN 0.643 nan 8.240 nan 0.000 0.455 422 D N 1.149 121.692 120.400 0.238 0.000 2.117 422 D HA -0.097 4.540 4.640 -0.005 0.000 0.197 422 D C 1.972 178.356 176.300 0.141 0.000 0.987 422 D CA 0.943 55.046 54.000 0.171 0.000 0.829 422 D CB -0.366 40.502 40.800 0.114 0.000 0.961 422 D HN 0.314 nan 8.370 nan 0.000 0.460 423 D N -0.040 120.411 120.400 0.086 0.000 2.106 423 D HA -0.184 4.454 4.640 -0.005 0.000 0.191 423 D C 1.859 178.267 176.300 0.179 0.000 0.997 423 D CA 0.775 54.812 54.000 0.062 0.000 0.834 423 D CB -0.605 40.081 40.800 -0.190 0.000 0.956 423 D HN 0.371 nan 8.370 nan 0.000 0.448 424 W N 2.125 123.428 121.300 0.006 0.000 2.335 424 W HA -0.163 4.494 4.660 -0.004 0.000 0.311 424 W C 2.319 179.025 176.519 0.313 0.000 1.213 424 W CA 1.699 59.159 57.345 0.191 0.000 1.274 424 W CB -0.150 29.376 29.460 0.109 0.000 1.148 424 W HN -0.140 nan 8.180 nan 0.000 0.498 425 K N 0.024 120.533 120.400 0.182 0.000 2.097 425 K HA -0.185 4.132 4.320 -0.005 0.000 0.205 425 K C 1.618 178.136 176.600 -0.136 0.000 1.050 425 K CA 1.854 58.003 56.287 -0.230 0.000 0.938 425 K CB -0.379 32.041 32.500 -0.132 0.000 0.718 425 K HN 0.051 nan 8.250 nan 0.000 0.442 426 D N 0.258 120.667 120.400 0.015 0.000 2.097 426 D HA -0.177 4.461 4.640 -0.005 0.000 0.195 426 D C 1.628 178.043 176.300 0.191 0.000 0.989 426 D CA 0.906 54.944 54.000 0.063 0.000 0.827 426 D CB -0.348 40.522 40.800 0.116 0.000 0.966 426 D HN 0.159 nan 8.370 nan 0.000 0.456 427 F N 1.341 121.397 119.950 0.175 0.000 2.134 427 F HA -0.141 4.383 4.527 -0.005 0.000 0.299 427 F C 2.137 178.083 175.800 0.244 0.000 1.097 427 F CA 0.688 58.842 58.000 0.256 0.000 1.264 427 F CB -0.443 38.841 39.000 0.473 0.000 1.001 427 F HN -0.099 nan 8.300 nan 0.000 0.479 428 L N -0.552 120.646 121.223 -0.042 0.000 2.042 428 L HA -0.271 4.066 4.340 -0.005 0.000 0.210 428 L C 2.072 178.898 176.870 -0.074 0.000 1.076 428 L CA 1.927 56.619 54.840 -0.247 0.000 0.749 428 L CB -1.118 40.563 42.059 -0.629 0.000 0.893 428 L HN 0.177 nan 8.230 nan 0.000 0.432 429 Y N -1.045 119.154 120.300 -0.168 0.000 2.293 429 Y HA -0.178 4.369 4.550 -0.004 0.000 0.291 429 Y C 3.010 178.865 175.900 -0.075 0.000 1.137 429 Y CA 1.485 59.534 58.100 -0.084 0.000 1.202 429 Y CB -0.726 37.679 38.460 -0.091 0.000 0.990 429 Y HN 0.390 nan 8.280 nan 0.000 0.537 430 S N -0.899 114.820 115.700 0.031 0.000 2.345 430 S HA -0.272 4.195 4.470 -0.005 0.000 0.220 430 S C 2.065 176.553 174.600 -0.187 0.000 1.031 430 S CA 1.152 59.325 58.200 -0.046 0.000 0.996 430 S CB -0.825 62.384 63.200 0.015 0.000 0.882 430 S HN 0.523 nan 8.310 nan 0.000 0.445 431 Y N 0.570 120.561 120.300 -0.514 0.000 2.207 431 Y HA 0.031 4.578 4.550 -0.005 0.000 0.287 431 Y C 0.696 176.248 175.900 -0.579 0.000 1.156 431 Y CA 1.624 59.346 58.100 -0.630 0.000 1.182 431 Y CB -0.110 37.852 38.460 -0.830 0.000 0.979 431 Y HN 0.359 nan 8.280 nan 0.000 0.521 432 F N 1.005 120.849 119.950 -0.177 0.000 2.923 432 F HA 0.220 4.744 4.527 -0.005 0.000 0.314 432 F C 1.498 177.170 175.800 -0.213 0.000 1.196 432 F CA -0.634 57.246 58.000 -0.200 0.000 1.320 432 F CB -0.172 38.703 39.000 -0.208 0.000 0.953 432 F HN -0.019 nan 8.300 nan 0.000 0.505 433 K N -1.079 119.272 120.400 -0.081 0.000 2.218 433 K HA -0.184 4.133 4.320 -0.005 0.000 0.205 433 K C 0.455 177.028 176.600 -0.045 0.000 1.046 433 K CA 1.868 58.123 56.287 -0.053 0.000 0.933 433 K CB -0.127 32.343 32.500 -0.051 0.000 0.728 433 K HN 0.121 nan 8.250 nan 0.000 0.454 434 D N 0.916 121.285 120.400 -0.051 0.000 2.349 434 D HA 0.017 4.654 4.640 -0.005 0.000 0.224 434 D C 0.406 176.691 176.300 -0.025 0.000 1.029 434 D CA 0.760 54.738 54.000 -0.037 0.000 0.879 434 D CB 0.397 41.170 40.800 -0.045 0.000 0.906 434 D HN 0.261 nan 8.370 nan 0.000 0.528 435 K N 0.071 120.457 120.400 -0.023 0.000 2.676 435 K HA 0.117 4.435 4.320 -0.005 0.000 0.205 435 K C 1.067 177.586 176.600 -0.136 0.000 1.084 435 K CA -0.070 56.181 56.287 -0.062 0.000 1.057 435 K CB 1.215 33.689 32.500 -0.043 0.000 0.791 435 K HN -0.179 nan 8.250 nan 0.000 0.484 436 V N 0.275 120.119 119.914 -0.117 0.000 2.548 436 V HA -0.191 3.927 4.120 -0.005 0.000 0.249 436 V C 0.908 176.955 176.094 -0.078 0.000 1.055 436 V CA 2.063 64.267 62.300 -0.161 0.000 1.065 436 V CB 0.091 31.886 31.823 -0.048 0.000 0.681 436 V HN 0.342 nan 8.190 nan 0.000 0.462 437 D N -0.304 120.071 120.400 -0.042 0.000 2.149 437 D HA -0.153 4.484 4.640 -0.005 0.000 0.198 437 D C 2.090 178.368 176.300 -0.038 0.000 0.990 437 D CA 1.676 55.667 54.000 -0.015 0.000 0.839 437 D CB -0.094 40.697 40.800 -0.015 0.000 0.948 437 D HN 0.425 nan 8.370 nan 0.000 0.460 438 V N 0.219 120.079 119.914 -0.090 0.000 2.407 438 V HA -0.139 3.979 4.120 -0.005 0.000 0.245 438 V C 2.355 178.359 176.094 -0.149 0.000 1.041 438 V CA 0.976 63.198 62.300 -0.130 0.000 1.040 438 V CB -0.374 31.341 31.823 -0.181 0.000 0.671 438 V HN 0.244 nan 8.190 nan 0.000 0.455 439 L N 0.249 121.359 121.223 -0.187 0.000 2.131 439 L HA -0.177 4.160 4.340 -0.005 0.000 0.210 439 L C 1.965 178.942 176.870 0.178 0.000 1.092 439 L CA 1.705 56.465 54.840 -0.133 0.000 0.759 439 L CB -0.710 41.036 42.059 -0.521 0.000 0.903 439 L HN 0.456 nan 8.230 nan 0.000 0.435 440 N N -0.708 118.089 118.700 0.161 0.000 2.521 440 N HA -0.117 4.620 4.740 -0.005 0.000 0.188 440 N C 1.439 177.042 175.510 0.155 0.000 1.146 440 N CA 0.116 53.328 53.050 0.270 0.000 0.893 440 N CB 0.140 38.754 38.487 0.212 0.000 0.975 440 N HN 0.468 nan 8.380 nan 0.000 0.451 441 Q N 0.119 119.954 119.800 0.059 0.000 2.398 441 Q HA 0.086 4.423 4.340 -0.005 0.000 0.204 441 Q C 0.096 176.096 176.000 0.001 0.000 0.932 441 Q CA 0.190 56.010 55.803 0.027 0.000 0.916 441 Q CB 0.586 29.322 28.738 -0.004 0.000 1.024 441 Q HN 0.115 nan 8.270 nan 0.000 0.504 442 V N 2.729 122.577 119.914 -0.110 0.000 2.599 442 V HA -0.073 4.044 4.120 -0.005 0.000 0.300 442 V C 0.243 176.166 176.094 -0.285 0.000 1.034 442 V CA 0.086 62.193 62.300 -0.322 0.000 1.115 442 V CB 0.555 31.735 31.823 -1.071 0.000 0.934 442 V HN 0.148 nan 8.190 nan 0.000 0.485 443 D N 4.219 124.587 120.400 -0.053 0.000 2.498 443 D HA 0.075 4.713 4.640 -0.005 0.000 0.229 443 D C 0.678 177.045 176.300 0.112 0.000 1.188 443 D CA -0.067 53.962 54.000 0.048 0.000 1.028 443 D CB 0.048 40.873 40.800 0.042 0.000 1.087 443 D HN 0.574 nan 8.370 nan 0.000 0.510 444 W N 2.116 123.578 121.300 0.270 0.000 2.363 444 W HA -0.158 4.498 4.660 -0.006 0.000 0.296 444 W C 2.256 178.911 176.519 0.227 0.000 1.212 444 W CA 0.592 58.092 57.345 0.259 0.000 1.260 444 W CB -0.373 29.230 29.460 0.239 0.000 1.131 444 W HN 0.364 nan 8.180 nan 0.000 0.530 445 N N 0.425 119.386 118.700 0.436 0.000 2.069 445 N HA -0.194 4.543 4.740 -0.005 0.000 0.191 445 N C 1.761 177.423 175.510 0.253 0.000 1.031 445 N CA 2.360 55.647 53.050 0.394 0.000 0.852 445 N CB -0.510 38.151 38.487 0.290 0.000 1.018 445 N HN 0.047 nan 8.380 nan 0.000 0.423 446 A N -0.478 122.423 122.820 0.135 0.000 1.855 446 A HA -0.085 4.233 4.320 -0.005 0.000 0.215 446 A C 2.069 179.619 177.584 -0.058 0.000 1.191 446 A CA 1.227 53.260 52.037 -0.006 0.000 0.613 446 A CB -1.395 17.535 19.000 -0.116 0.000 0.829 446 A HN 0.585 nan 8.150 nan 0.000 0.442 447 W N 0.006 121.251 121.300 -0.093 0.000 2.321 447 W HA -0.146 4.511 4.660 -0.004 0.000 0.306 447 W C 2.053 178.428 176.519 -0.240 0.000 1.217 447 W CA 1.526 58.772 57.345 -0.164 0.000 1.257 447 W CB -0.177 29.171 29.460 -0.188 0.000 1.145 447 W HN 0.245 nan 8.180 nan 0.000 0.509 448 L N -2.818 118.383 121.223 -0.038 0.000 2.298 448 L HA -0.036 4.302 4.340 -0.005 0.000 0.209 448 L C 1.148 177.685 176.870 -0.554 0.000 1.084 448 L CA 0.723 55.280 54.840 -0.472 0.000 0.816 448 L CB -0.383 41.183 42.059 -0.821 0.000 0.967 448 L HN -0.015 nan 8.230 nan 0.000 0.460 449 Y N -1.549 118.799 120.300 0.080 0.000 2.432 449 Y HA 0.282 4.830 4.550 -0.004 0.000 0.252 449 Y C 1.024 176.939 175.900 0.025 0.000 1.097 449 Y CA -0.684 57.452 58.100 0.061 0.000 1.250 449 Y CB 0.377 38.890 38.460 0.088 0.000 1.245 449 Y HN -0.136 nan 8.280 nan 0.000 0.522 450 S N 3.015 118.772 115.700 0.095 0.000 2.617 450 S HA 0.422 4.889 4.470 -0.005 0.000 0.283 450 S C -2.468 172.123 174.600 -0.014 0.000 1.189 450 S CA -1.273 56.946 58.200 0.033 0.000 1.036 450 S CB 1.329 64.525 63.200 -0.007 0.000 1.014 450 S HN -0.067 nan 8.310 nan 0.000 0.522 451 P HA 0.494 nan 4.420 nan 0.000 0.276 451 P C 0.403 177.668 177.300 -0.058 0.000 1.261 451 P CA 0.137 63.222 63.100 -0.025 0.000 0.800 451 P CB 0.171 31.865 31.700 -0.011 0.000 1.066 452 G N -0.643 108.125 108.800 -0.052 0.000 2.725 452 G HA2 -0.182 3.775 3.960 -0.005 0.000 0.220 452 G HA3 -0.182 3.775 3.960 -0.005 0.000 0.220 452 G C -0.668 174.145 174.900 -0.145 0.000 1.357 452 G CA -0.610 44.443 45.100 -0.079 0.000 0.866 452 G HN 0.577 nan 8.290 nan 0.000 0.548 453 L N 1.550 122.669 121.223 -0.175 0.000 2.506 453 L HA 0.211 4.548 4.340 -0.005 0.000 0.281 453 L C -1.242 175.459 176.870 -0.282 0.000 1.228 453 L CA -1.052 53.636 54.840 -0.255 0.000 0.850 453 L CB -0.025 41.917 42.059 -0.194 0.000 1.110 453 L HN 0.419 nan 8.230 nan 0.000 0.496 454 P HA -0.004 nan 4.420 nan 0.000 0.269 454 P C -1.924 175.003 177.300 -0.621 0.000 1.211 454 P CA -0.851 61.798 63.100 -0.752 0.000 0.781 454 P CB -0.080 31.063 31.700 -0.928 0.000 0.877 455 P HA 0.059 nan 4.420 nan 0.000 0.233 455 P C 0.136 177.213 177.300 -0.372 0.000 1.167 455 P CA 1.477 64.281 63.100 -0.494 0.000 0.770 455 P CB 0.550 31.963 31.700 -0.479 0.000 0.837 456 I N -0.334 119.962 120.570 -0.457 0.000 2.656 456 I HA 0.268 4.435 4.170 -0.005 0.000 0.292 456 I C -0.154 175.875 176.117 -0.145 0.000 1.144 456 I CA -1.019 60.121 61.300 -0.266 0.000 1.038 456 I CB 3.335 41.114 38.000 -0.368 0.000 1.244 456 I HN -0.234 nan 8.210 nan 0.000 0.420 457 K N 7.179 127.471 120.400 -0.179 0.000 2.211 457 K HA 0.530 4.847 4.320 -0.005 0.000 0.275 457 K C -2.483 173.951 176.600 -0.276 0.000 1.024 457 K CA -1.286 54.759 56.287 -0.403 0.000 0.887 457 K CB 1.420 33.560 32.500 -0.600 0.000 1.084 457 K HN 0.195 nan 8.250 nan 0.000 0.463 458 P HA 0.002 nan 4.420 nan 0.000 0.271 458 P C -1.157 175.824 177.300 -0.531 0.000 1.238 458 P CA -0.314 62.559 63.100 -0.380 0.000 0.794 458 P CB 0.437 31.887 31.700 -0.416 0.000 0.959 459 N N 1.000 119.415 118.700 -0.475 0.000 2.422 459 N HA 0.183 4.920 4.740 -0.005 0.000 0.264 459 N C -0.898 174.447 175.510 -0.276 0.000 1.063 459 N CA 0.098 52.980 53.050 -0.280 0.000 0.959 459 N CB 0.115 38.504 38.487 -0.163 0.000 1.087 459 N HN 0.361 nan 8.380 nan 0.000 0.483 460 Y N -0.284 120.092 120.300 0.126 0.000 2.350 460 Y HA 0.158 4.705 4.550 -0.005 0.000 0.338 460 Y C 0.721 176.795 175.900 0.289 0.000 0.961 460 Y CA -1.070 57.188 58.100 0.264 0.000 1.100 460 Y CB 1.216 39.763 38.460 0.145 0.000 1.179 460 Y HN 0.412 nan 8.280 nan 0.000 0.454 461 D N 3.701 124.474 120.400 0.621 0.000 2.488 461 D HA -0.030 4.607 4.640 -0.005 0.000 0.238 461 D C 0.337 176.810 176.300 0.288 0.000 1.138 461 D CA 0.406 54.594 54.000 0.314 0.000 0.873 461 D CB 0.945 41.803 40.800 0.098 0.000 1.183 461 D HN 0.600 nan 8.370 nan 0.000 0.458 462 M N 2.775 122.492 119.600 0.194 0.000 2.333 462 M HA -0.010 4.467 4.480 -0.005 0.000 0.257 462 M C 1.782 178.180 176.300 0.164 0.000 1.078 462 M CA -0.026 55.377 55.300 0.173 0.000 1.005 462 M CB -0.354 32.325 32.600 0.131 0.000 1.444 462 M HN 0.339 nan 8.290 nan 0.000 0.496 463 T N 2.229 116.870 114.554 0.144 0.000 2.620 463 T HA -0.170 4.177 4.350 -0.005 0.000 0.267 463 T C 1.888 176.664 174.700 0.126 0.000 1.044 463 T CA 1.575 63.743 62.100 0.113 0.000 1.161 463 T CB -0.279 68.641 68.868 0.088 0.000 0.862 463 T HN 0.373 nan 8.240 nan 0.000 0.438 464 L N 0.277 121.601 121.223 0.168 0.000 2.418 464 L HA 0.025 4.362 4.340 -0.005 0.000 0.218 464 L C 2.678 179.711 176.870 0.272 0.000 1.125 464 L CA 0.773 55.696 54.840 0.139 0.000 0.835 464 L CB -0.506 41.564 42.059 0.018 0.000 0.953 464 L HN 0.292 nan 8.230 nan 0.000 0.454 465 T N -0.912 113.850 114.554 0.347 0.000 2.937 465 T HA -0.067 4.280 4.350 -0.005 0.000 0.260 465 T C 1.572 176.398 174.700 0.210 0.000 1.051 465 T CA 0.974 63.267 62.100 0.322 0.000 1.141 465 T CB -0.194 68.789 68.868 0.191 0.000 0.879 465 T HN 0.373 nan 8.240 nan 0.000 0.459 466 N N 1.559 120.357 118.700 0.163 0.000 2.036 466 N HA -0.151 4.587 4.740 -0.005 0.000 0.195 466 N C 2.184 177.769 175.510 0.126 0.000 1.037 466 N CA 1.190 54.316 53.050 0.127 0.000 0.855 466 N CB -0.234 38.314 38.487 0.101 0.000 1.033 466 N HN 0.341 nan 8.380 nan 0.000 0.423 467 A N 0.385 123.275 122.820 0.116 0.000 2.032 467 A HA -0.191 4.127 4.320 -0.005 0.000 0.221 467 A C 2.360 180.024 177.584 0.134 0.000 1.165 467 A CA 1.229 53.327 52.037 0.102 0.000 0.645 467 A CB -0.887 18.154 19.000 0.069 0.000 0.807 467 A HN 0.513 nan 8.150 nan 0.000 0.453 468 C N -1.019 118.390 119.300 0.183 0.000 2.500 468 C HA 0.044 4.501 4.460 -0.005 0.000 0.279 468 C C 2.509 177.670 174.990 0.286 0.000 1.288 468 C CA 0.698 59.869 59.018 0.254 0.000 1.710 468 C CB -1.267 26.644 27.740 0.284 0.000 2.052 468 C HN 0.645 nan 8.230 nan 0.000 0.488 469 I N 1.837 122.533 120.570 0.212 0.000 2.208 469 I HA -0.248 3.919 4.170 -0.005 0.000 0.245 469 I C 2.768 179.005 176.117 0.201 0.000 1.097 469 I CA 1.720 63.131 61.300 0.185 0.000 1.363 469 I CB -0.584 37.495 38.000 0.133 0.000 1.051 469 I HN 0.309 nan 8.210 nan 0.000 0.413 470 A N 0.667 123.594 122.820 0.177 0.000 1.858 470 A HA -0.212 4.105 4.320 -0.005 0.000 0.216 470 A C 2.248 179.960 177.584 0.214 0.000 1.190 470 A CA 1.528 53.661 52.037 0.161 0.000 0.617 470 A CB -0.894 18.176 19.000 0.118 0.000 0.827 470 A HN 0.350 nan 8.150 nan 0.000 0.443 471 L N -0.045 121.318 121.223 0.233 0.000 2.042 471 L HA -0.116 4.221 4.340 -0.005 0.000 0.210 471 L C 2.675 179.890 176.870 0.575 0.000 1.076 471 L CA 2.521 57.539 54.840 0.297 0.000 0.749 471 L CB -0.714 41.366 42.059 0.036 0.000 0.893 471 L HN 0.393 nan 8.230 nan 0.000 0.432 472 S N -1.625 114.451 115.700 0.626 0.000 2.368 472 S HA -0.186 4.282 4.470 -0.005 0.000 0.224 472 S C 1.939 176.794 174.600 0.425 0.000 1.029 472 S CA 0.972 59.541 58.200 0.616 0.000 0.988 472 S CB -0.204 63.206 63.200 0.349 0.000 0.838 472 S HN 0.558 nan 8.310 nan 0.000 0.462 473 Q N 0.835 120.822 119.800 0.313 0.000 2.170 473 Q HA 0.002 4.340 4.340 -0.005 0.000 0.203 473 Q C 2.352 178.506 176.000 0.257 0.000 0.976 473 Q CA 1.029 56.972 55.803 0.234 0.000 0.858 473 Q CB -0.352 28.486 28.738 0.166 0.000 0.907 473 Q HN 0.593 nan 8.270 nan 0.000 0.433 474 R N -0.843 119.838 120.500 0.301 0.000 2.081 474 R HA -0.159 4.178 4.340 -0.005 0.000 0.235 474 R C 2.100 178.629 176.300 0.382 0.000 1.131 474 R CA 1.435 57.709 56.100 0.290 0.000 0.960 474 R CB -0.285 30.195 30.300 0.301 0.000 0.856 474 R HN 0.300 nan 8.270 nan 0.000 0.436 475 W N 0.827 122.352 121.300 0.374 0.000 2.355 475 W HA -0.072 4.586 4.660 -0.004 0.000 0.309 475 W C 2.039 178.738 176.519 0.300 0.000 1.206 475 W CA 0.760 58.260 57.345 0.258 0.000 1.284 475 W CB -0.288 29.261 29.460 0.149 0.000 1.145 475 W HN 0.000 nan 8.180 nan 0.000 0.502 476 I N -0.145 120.683 120.570 0.430 0.000 2.252 476 I HA -0.273 3.894 4.170 -0.005 0.000 0.245 476 I C 2.540 178.784 176.117 0.212 0.000 1.102 476 I CA 1.890 63.346 61.300 0.261 0.000 1.385 476 I CB -0.817 37.289 38.000 0.177 0.000 1.064 476 I HN 0.004 nan 8.210 nan 0.000 0.414 477 T N -1.036 113.642 114.554 0.206 0.000 3.113 477 T HA 0.274 4.621 4.350 -0.005 0.000 0.256 477 T C 0.854 175.659 174.700 0.174 0.000 1.131 477 T CA 0.077 62.270 62.100 0.154 0.000 1.074 477 T CB -0.362 68.573 68.868 0.112 0.000 0.944 477 T HN 0.206 nan 8.240 nan 0.000 0.516 478 A N 1.322 124.299 122.820 0.262 0.000 2.462 478 A HA 0.564 4.881 4.320 -0.005 0.000 0.243 478 A C 0.236 177.993 177.584 0.288 0.000 1.076 478 A CA -0.401 51.764 52.037 0.212 0.000 0.773 478 A CB 0.242 19.355 19.000 0.187 0.000 1.010 478 A HN 0.416 nan 8.150 nan 0.000 0.493 479 K N 0.088 120.567 120.400 0.130 0.000 2.210 479 K HA 0.307 4.624 4.320 -0.005 0.000 0.236 479 K C 1.266 177.902 176.600 0.060 0.000 1.016 479 K CA -0.259 56.109 56.287 0.137 0.000 0.913 479 K CB 0.631 33.172 32.500 0.068 0.000 1.141 479 K HN 0.798 nan 8.250 nan 0.000 0.462 480 E N 1.008 121.255 120.200 0.080 0.000 2.086 480 E HA -0.299 4.048 4.350 -0.005 0.000 0.200 480 E C 0.776 177.353 176.600 -0.039 0.000 1.012 480 E CA 2.114 58.524 56.400 0.017 0.000 0.812 480 E CB 0.012 29.733 29.700 0.034 0.000 0.743 480 E HN 0.679 nan 8.360 nan 0.000 0.453 481 D N 0.109 120.488 120.400 -0.034 0.000 2.378 481 D HA -0.172 4.465 4.640 -0.005 0.000 0.222 481 D C 0.837 177.074 176.300 -0.106 0.000 0.980 481 D CA 0.814 54.778 54.000 -0.060 0.000 0.907 481 D CB -0.278 40.495 40.800 -0.045 0.000 0.899 481 D HN 0.265 nan 8.370 nan 0.000 0.527 482 D N 0.168 120.489 120.400 -0.131 0.000 2.346 482 D HA 0.048 4.686 4.640 -0.005 0.000 0.206 482 D C 2.244 178.347 176.300 -0.328 0.000 1.001 482 D CA -0.052 53.806 54.000 -0.236 0.000 0.871 482 D CB 0.364 41.030 40.800 -0.223 0.000 0.943 482 D HN 0.303 nan 8.370 nan 0.000 0.518 483 L N 0.995 122.101 121.223 -0.196 0.000 2.079 483 L HA -0.196 4.141 4.340 -0.005 0.000 0.210 483 L C 2.218 179.031 176.870 -0.096 0.000 1.081 483 L CA 0.885 55.662 54.840 -0.104 0.000 0.752 483 L CB -0.505 41.494 42.059 -0.100 0.000 0.896 483 L HN 0.001 nan 8.230 nan 0.000 0.433 484 N N 0.067 118.684 118.700 -0.139 0.000 2.272 484 N HA -0.201 4.536 4.740 -0.005 0.000 0.185 484 N C 1.844 177.240 175.510 -0.191 0.000 1.014 484 N CA 1.400 54.374 53.050 -0.127 0.000 0.870 484 N CB 0.016 38.435 38.487 -0.113 0.000 0.975 484 N HN 0.348 nan 8.380 nan 0.000 0.433 485 S N -1.561 113.923 115.700 -0.360 0.000 2.555 485 S HA 0.047 4.515 4.470 -0.005 0.000 0.230 485 S C 0.260 174.563 174.600 -0.494 0.000 0.978 485 S CA -0.038 57.893 58.200 -0.447 0.000 0.934 485 S CB -0.446 62.405 63.200 -0.580 0.000 0.766 485 S HN 0.115 nan 8.310 nan 0.000 0.533 486 F N 2.713 122.508 119.950 -0.259 0.000 2.375 486 F HA 0.589 5.114 4.527 -0.004 0.000 0.333 486 F C 0.747 176.471 175.800 -0.127 0.000 1.104 486 F CA -1.107 56.753 58.000 -0.235 0.000 1.149 486 F CB 0.688 39.426 39.000 -0.437 0.000 1.190 486 F HN 0.171 nan 8.300 nan 0.000 0.533 487 N N 0.451 119.271 118.700 0.200 0.000 2.598 487 N HA 0.311 5.048 4.740 -0.005 0.000 0.263 487 N C 0.139 175.795 175.510 0.243 0.000 1.254 487 N CA -0.078 53.046 53.050 0.124 0.000 0.863 487 N CB 1.976 40.500 38.487 0.062 0.000 1.586 487 N HN 0.603 nan 8.380 nan 0.000 0.491 488 A N 1.227 124.150 122.820 0.172 0.000 1.948 488 A HA -0.201 4.117 4.320 -0.005 0.000 0.220 488 A C 1.936 179.599 177.584 0.132 0.000 1.177 488 A CA 2.858 55.013 52.037 0.197 0.000 0.636 488 A CB -1.318 17.735 19.000 0.089 0.000 0.815 488 A HN 0.880 nan 8.150 nan 0.000 0.449 489 T N -2.238 112.371 114.554 0.093 0.000 2.977 489 T HA -0.154 4.194 4.350 -0.005 0.000 0.271 489 T C 1.106 175.835 174.700 0.049 0.000 1.105 489 T CA 1.462 63.592 62.100 0.050 0.000 1.116 489 T CB -0.572 68.314 68.868 0.031 0.000 0.878 489 T HN 0.445 nan 8.240 nan 0.000 0.509 490 D N 1.712 122.179 120.400 0.111 0.000 2.182 490 D HA -0.032 4.605 4.640 -0.005 0.000 0.201 490 D C 1.814 178.077 176.300 -0.063 0.000 0.986 490 D CA 0.923 54.971 54.000 0.080 0.000 0.847 490 D CB -0.205 40.746 40.800 0.252 0.000 0.942 490 D HN 0.463 nan 8.370 nan 0.000 0.467 491 L N -0.041 121.105 121.223 -0.129 0.000 2.567 491 L HA 0.107 4.444 4.340 -0.005 0.000 0.225 491 L C 2.173 178.988 176.870 -0.091 0.000 1.119 491 L CA -0.062 54.664 54.840 -0.191 0.000 0.871 491 L CB -0.073 41.825 42.059 -0.269 0.000 1.036 491 L HN -0.093 nan 8.230 nan 0.000 0.459 492 K N 0.946 121.316 120.400 -0.050 0.000 2.071 492 K HA -0.243 4.075 4.320 -0.005 0.000 0.217 492 K C 0.702 177.285 176.600 -0.029 0.000 1.054 492 K CA 2.104 58.374 56.287 -0.028 0.000 0.937 492 K CB 0.082 32.573 32.500 -0.014 0.000 0.719 492 K HN 0.309 nan 8.250 nan 0.000 0.454 493 D N -0.025 120.357 120.400 -0.030 0.000 2.424 493 D HA 0.103 4.740 4.640 -0.005 0.000 0.220 493 D C -0.371 175.911 176.300 -0.030 0.000 1.150 493 D CA 0.098 54.082 54.000 -0.025 0.000 0.831 493 D CB 0.319 41.109 40.800 -0.016 0.000 0.981 493 D HN 0.166 nan 8.370 nan 0.000 0.500 494 L N 1.442 122.642 121.223 -0.038 0.000 2.289 494 L HA 0.228 4.565 4.340 -0.005 0.000 0.285 494 L C 1.139 177.994 176.870 -0.025 0.000 1.049 494 L CA -0.573 54.249 54.840 -0.030 0.000 0.804 494 L CB 1.514 43.550 42.059 -0.039 0.000 1.195 494 L HN -0.088 nan 8.230 nan 0.000 0.428 495 S N 0.487 116.175 115.700 -0.019 0.000 2.617 495 S HA 0.080 4.547 4.470 -0.005 0.000 0.259 495 S C 1.282 175.890 174.600 0.013 0.000 1.301 495 S CA -0.174 58.026 58.200 -0.001 0.000 0.984 495 S CB 1.270 64.481 63.200 0.018 0.000 0.954 495 S HN 0.739 nan 8.310 nan 0.000 0.572 496 S N 0.291 115.974 115.700 -0.027 0.000 2.383 496 S HA -0.241 4.226 4.470 -0.005 0.000 0.229 496 S C 1.474 176.032 174.600 -0.070 0.000 1.030 496 S CA 1.635 59.779 58.200 -0.093 0.000 1.002 496 S CB -1.236 61.854 63.200 -0.184 0.000 0.829 496 S HN 0.867 nan 8.310 nan 0.000 0.467 497 H N 1.736 120.844 119.070 0.062 0.000 2.353 497 H HA 0.032 4.585 4.556 -0.005 0.000 0.300 497 H C 2.509 177.999 175.328 0.270 0.000 1.090 497 H CA 1.881 58.045 56.048 0.192 0.000 1.327 497 H CB -0.320 29.588 29.762 0.244 0.000 1.383 497 H HN 0.525 nan 8.280 nan 0.000 0.508 498 Q N -0.370 119.581 119.800 0.251 0.000 2.172 498 Q HA -0.071 4.266 4.340 -0.005 0.000 0.200 498 Q C 1.854 177.987 176.000 0.222 0.000 0.964 498 Q CA 0.585 56.539 55.803 0.252 0.000 0.855 498 Q CB 0.054 28.848 28.738 0.093 0.000 0.918 498 Q HN 0.277 nan 8.270 nan 0.000 0.444 499 L N 1.073 122.375 121.223 0.132 0.000 2.056 499 L HA -0.170 4.168 4.340 -0.005 0.000 0.207 499 L C 1.977 178.900 176.870 0.088 0.000 1.078 499 L CA 1.685 56.585 54.840 0.101 0.000 0.749 499 L CB -0.531 41.529 42.059 0.001 0.000 0.901 499 L HN 0.208 nan 8.230 nan 0.000 0.433 500 N N -0.723 118.017 118.700 0.067 0.000 2.188 500 N HA -0.226 4.512 4.740 -0.005 0.000 0.184 500 N C 1.845 177.395 175.510 0.067 0.000 1.018 500 N CA 1.147 54.215 53.050 0.031 0.000 0.858 500 N CB 0.035 38.551 38.487 0.048 0.000 0.989 500 N HN 0.276 nan 8.380 nan 0.000 0.426 501 E N -0.495 119.809 120.200 0.173 0.000 2.150 501 E HA -0.133 4.214 4.350 -0.005 0.000 0.193 501 E C 1.626 178.304 176.600 0.129 0.000 0.985 501 E CA 0.744 57.223 56.400 0.131 0.000 0.814 501 E CB -0.578 29.235 29.700 0.188 0.000 0.752 501 E HN 0.473 nan 8.360 nan 0.000 0.466 502 F N 0.592 120.572 119.950 0.050 0.000 2.126 502 F HA -0.130 4.395 4.527 -0.004 0.000 0.299 502 F C 1.644 177.437 175.800 -0.010 0.000 1.096 502 F CA 1.523 59.544 58.000 0.035 0.000 1.255 502 F CB -0.361 38.660 39.000 0.035 0.000 0.997 502 F HN 0.071 nan 8.300 nan 0.000 0.479 503 L N -0.010 120.987 121.223 -0.376 0.000 2.072 503 L HA -0.083 4.254 4.340 -0.005 0.000 0.205 503 L C 2.869 179.547 176.870 -0.321 0.000 1.079 503 L CA 1.032 55.568 54.840 -0.506 0.000 0.752 503 L CB -1.186 40.665 42.059 -0.347 0.000 0.906 503 L HN 0.251 nan 8.230 nan 0.000 0.436 504 A N -0.609 122.100 122.820 -0.185 0.000 1.917 504 A HA -0.258 4.060 4.320 -0.005 0.000 0.219 504 A C 2.270 179.776 177.584 -0.131 0.000 1.182 504 A CA 1.543 53.500 52.037 -0.133 0.000 0.633 504 A CB -0.461 18.493 19.000 -0.078 0.000 0.819 504 A HN 0.400 nan 8.150 nan 0.000 0.448 505 Q N -0.711 119.020 119.800 -0.115 0.000 2.050 505 Q HA -0.137 4.200 4.340 -0.005 0.000 0.202 505 Q C 2.282 178.215 176.000 -0.112 0.000 0.980 505 Q CA 2.154 57.912 55.803 -0.074 0.000 0.840 505 Q CB -0.893 27.843 28.738 -0.003 0.000 0.898 505 Q HN 0.704 nan 8.270 nan 0.000 0.424 506 T N 1.945 116.361 114.554 -0.230 0.000 2.737 506 T HA -0.117 4.230 4.350 -0.005 0.000 0.265 506 T C 1.909 176.500 174.700 -0.182 0.000 1.038 506 T CA 0.829 62.788 62.100 -0.235 0.000 1.144 506 T CB -0.402 68.175 68.868 -0.485 0.000 0.866 506 T HN 0.094 nan 8.240 nan 0.000 0.434 507 L N 1.547 122.641 121.223 -0.214 0.000 2.089 507 L HA -0.192 4.145 4.340 -0.005 0.000 0.213 507 L C 2.349 179.135 176.870 -0.140 0.000 1.079 507 L CA 1.773 56.502 54.840 -0.185 0.000 0.758 507 L CB -0.744 41.188 42.059 -0.211 0.000 0.891 507 L HN 0.314 nan 8.230 nan 0.000 0.433 508 Q N -1.187 118.545 119.800 -0.114 0.000 2.291 508 Q HA -0.170 4.167 4.340 -0.005 0.000 0.206 508 Q C 1.441 177.400 176.000 -0.069 0.000 0.976 508 Q CA 1.179 56.931 55.803 -0.084 0.000 0.875 508 Q CB 0.047 28.748 28.738 -0.061 0.000 0.927 508 Q HN 0.397 nan 8.270 nan 0.000 0.450 509 R N -0.516 119.942 120.500 -0.069 0.000 2.468 509 R HA 0.264 4.601 4.340 -0.005 0.000 0.280 509 R C -0.243 176.014 176.300 -0.072 0.000 0.963 509 R CA 0.005 56.073 56.100 -0.053 0.000 1.083 509 R CB 0.597 30.883 30.300 -0.024 0.000 1.200 509 R HN 0.053 nan 8.270 nan 0.000 0.541 510 A N 2.352 125.114 122.820 -0.098 0.000 2.425 510 A HA 0.351 4.668 4.320 -0.005 0.000 0.242 510 A C -1.889 175.630 177.584 -0.108 0.000 1.077 510 A CA -0.937 51.030 52.037 -0.117 0.000 0.781 510 A CB -0.254 18.657 19.000 -0.149 0.000 1.020 510 A HN 0.033 nan 8.150 nan 0.000 0.494 511 P HA 0.463 nan 4.420 nan 0.000 0.277 511 P C -0.973 176.254 177.300 -0.122 0.000 1.240 511 P CA -0.286 62.733 63.100 -0.135 0.000 0.798 511 P CB 0.788 32.403 31.700 -0.143 0.000 0.979 512 L N 3.213 124.357 121.223 -0.132 0.000 2.331 512 L HA 0.568 4.905 4.340 -0.005 0.000 0.268 512 L C -2.144 174.618 176.870 -0.180 0.000 1.015 512 L CA -2.227 52.523 54.840 -0.149 0.000 0.807 512 L CB 0.530 42.533 42.059 -0.094 0.000 1.293 512 L HN 0.286 nan 8.230 nan 0.000 0.451 513 P HA 0.035 nan 4.420 nan 0.000 0.269 513 P C 0.421 177.661 177.300 -0.100 0.000 1.215 513 P CA -0.301 62.687 63.100 -0.188 0.000 0.780 513 P CB 0.513 32.078 31.700 -0.226 0.000 0.898 514 L N 2.808 123.971 121.223 -0.101 0.000 2.141 514 L HA 0.020 4.357 4.340 -0.005 0.000 0.209 514 L C 2.114 178.873 176.870 -0.185 0.000 1.094 514 L CA 2.306 57.044 54.840 -0.170 0.000 0.763 514 L CB -1.531 40.436 42.059 -0.153 0.000 0.908 514 L HN 0.506 nan 8.230 nan 0.000 0.437 515 G N -1.881 106.891 108.800 -0.046 0.000 2.422 515 G HA2 -0.290 3.667 3.960 -0.005 0.000 0.218 515 G HA3 -0.290 3.667 3.960 -0.005 0.000 0.218 515 G C 1.260 176.211 174.900 0.084 0.000 1.146 515 G CA 0.980 46.077 45.100 -0.005 0.000 0.769 515 G HN 0.523 nan 8.290 nan 0.000 0.547 516 H N 0.514 119.591 119.070 0.012 0.000 2.293 516 H HA -0.019 4.535 4.556 -0.004 0.000 0.300 516 H C 2.681 178.024 175.328 0.025 0.000 1.082 516 H CA 1.086 57.234 56.048 0.167 0.000 1.308 516 H CB -0.218 29.676 29.762 0.220 0.000 1.375 516 H HN 0.183 nan 8.280 nan 0.000 0.495 517 I N 1.072 121.658 120.570 0.028 0.000 2.208 517 I HA -0.252 3.915 4.170 -0.005 0.000 0.245 517 I C 2.035 178.043 176.117 -0.182 0.000 1.097 517 I CA 1.397 62.653 61.300 -0.073 0.000 1.363 517 I CB -0.947 36.964 38.000 -0.148 0.000 1.051 517 I HN 0.257 nan 8.210 nan 0.000 0.413 518 K N 0.097 120.206 120.400 -0.485 0.000 2.057 518 K HA -0.221 4.096 4.320 -0.005 0.000 0.207 518 K C 2.245 178.737 176.600 -0.180 0.000 1.049 518 K CA 1.369 57.296 56.287 -0.600 0.000 0.931 518 K CB -0.162 31.982 32.500 -0.592 0.000 0.714 518 K HN 0.063 nan 8.250 nan 0.000 0.440 519 R N 1.345 121.800 120.500 -0.075 0.000 2.075 519 R HA -0.025 4.312 4.340 -0.005 0.000 0.232 519 R C 2.124 178.395 176.300 -0.049 0.000 1.126 519 R CA 1.403 57.515 56.100 0.020 0.000 0.963 519 R CB -0.374 30.020 30.300 0.157 0.000 0.858 519 R HN 0.148 nan 8.270 nan 0.000 0.435 520 M N 0.122 119.600 119.600 -0.204 0.000 2.106 520 M HA -0.272 4.205 4.480 -0.005 0.000 0.259 520 M C 2.118 178.151 176.300 -0.446 0.000 1.068 520 M CA 2.282 57.223 55.300 -0.598 0.000 1.100 520 M CB -0.160 32.042 32.600 -0.664 0.000 1.351 520 M HN 0.258 nan 8.290 nan 0.000 0.404 521 Q N 0.643 120.408 119.800 -0.059 0.000 2.050 521 Q HA -0.242 4.095 4.340 -0.005 0.000 0.202 521 Q C 1.693 177.668 176.000 -0.041 0.000 0.980 521 Q CA 2.436 58.277 55.803 0.062 0.000 0.840 521 Q CB -0.451 28.646 28.738 0.599 0.000 0.898 521 Q HN 0.668 nan 8.270 nan 0.000 0.424 522 E N -0.813 119.371 120.200 -0.026 0.000 2.070 522 E HA -0.202 4.145 4.350 -0.005 0.000 0.197 522 E C 1.721 178.263 176.600 -0.097 0.000 1.004 522 E CA 2.326 58.708 56.400 -0.030 0.000 0.805 522 E CB -0.032 29.658 29.700 -0.017 0.000 0.744 522 E HN 0.402 nan 8.360 nan 0.000 0.451 523 V N -1.922 117.862 119.914 -0.216 0.000 2.725 523 V HA -0.034 4.084 4.120 -0.005 0.000 0.247 523 V C 1.545 177.524 176.094 -0.192 0.000 1.058 523 V CA 0.899 63.053 62.300 -0.243 0.000 1.080 523 V CB -0.554 31.071 31.823 -0.330 0.000 0.713 523 V HN 0.213 nan 8.190 nan 0.000 0.465 524 Y N 0.209 120.292 120.300 -0.362 0.000 2.498 524 Y HA 0.382 4.929 4.550 -0.005 0.000 0.259 524 Y C 1.376 176.943 175.900 -0.554 0.000 1.086 524 Y CA -0.674 57.058 58.100 -0.613 0.000 1.287 524 Y CB -0.799 36.863 38.460 -1.329 0.000 1.146 524 Y HN 0.445 nan 8.280 nan 0.000 0.523 525 N N 0.116 118.647 118.700 -0.280 0.000 2.738 525 N HA -0.237 4.500 4.740 -0.005 0.000 0.249 525 N C -0.074 175.358 175.510 -0.130 0.000 1.047 525 N CA -0.078 52.891 53.050 -0.135 0.000 0.707 525 N CB -1.019 37.439 38.487 -0.048 0.000 0.937 525 N HN 0.083 nan 8.380 nan 0.000 0.545 526 F N 0.565 120.265 119.950 -0.417 0.000 2.365 526 F HA -0.021 4.504 4.527 -0.004 0.000 0.300 526 F C 2.205 177.776 175.800 -0.382 0.000 1.090 526 F CA 0.632 58.211 58.000 -0.703 0.000 1.408 526 F CB -0.379 37.556 39.000 -1.775 0.000 1.060 526 F HN 0.267 nan 8.300 nan 0.000 0.534 527 N N 0.307 119.080 118.700 0.122 0.000 2.289 527 N HA -0.124 4.613 4.740 -0.005 0.000 0.184 527 N C 1.971 177.559 175.510 0.130 0.000 1.016 527 N CA 1.143 54.356 53.050 0.271 0.000 0.872 527 N CB -0.444 38.198 38.487 0.258 0.000 0.973 527 N HN 0.240 nan 8.380 nan 0.000 0.433 528 A N 0.257 123.120 122.820 0.073 0.000 2.167 528 A HA 0.110 4.427 4.320 -0.005 0.000 0.214 528 A C 0.927 178.532 177.584 0.035 0.000 1.151 528 A CA 0.067 52.131 52.037 0.044 0.000 0.735 528 A CB -0.132 18.884 19.000 0.027 0.000 0.802 528 A HN 0.143 nan 8.150 nan 0.000 0.467 529 I N 0.981 121.575 120.570 0.040 0.000 2.371 529 I HA 0.106 4.273 4.170 -0.005 0.000 0.290 529 I C 0.132 176.256 176.117 0.011 0.000 1.028 529 I CA -0.368 60.941 61.300 0.016 0.000 1.345 529 I CB 0.934 38.930 38.000 -0.005 0.000 1.407 529 I HN 0.158 nan 8.210 nan 0.000 0.501 530 N N 3.692 122.391 118.700 -0.001 0.000 2.220 530 N HA -0.018 4.719 4.740 -0.005 0.000 0.195 530 N C 0.498 175.998 175.510 -0.017 0.000 1.123 530 N CA 0.104 53.151 53.050 -0.006 0.000 0.874 530 N CB 0.062 38.548 38.487 -0.002 0.000 0.995 530 N HN 0.533 nan 8.380 nan 0.000 0.498 531 N N 2.019 120.705 118.700 -0.024 0.000 2.386 531 N HA -0.078 4.660 4.740 -0.005 0.000 0.273 531 N C 1.245 176.720 175.510 -0.058 0.000 1.331 531 N CA 0.220 53.252 53.050 -0.031 0.000 0.891 531 N CB 0.692 39.152 38.487 -0.044 0.000 1.139 531 N HN 0.170 nan 8.380 nan 0.000 0.487 532 S N 3.467 119.131 115.700 -0.060 0.000 2.399 532 S HA -0.128 4.339 4.470 -0.005 0.000 0.231 532 S C 1.268 175.648 174.600 -0.367 0.000 1.022 532 S CA 0.734 58.807 58.200 -0.212 0.000 0.983 532 S CB -0.017 63.118 63.200 -0.109 0.000 0.803 532 S HN 0.598 nan 8.310 nan 0.000 0.480 533 E N 1.487 121.630 120.200 -0.094 0.000 2.047 533 E HA -0.019 4.328 4.350 -0.005 0.000 0.191 533 E C 2.186 178.796 176.600 0.017 0.000 0.987 533 E CA 1.254 57.672 56.400 0.029 0.000 0.799 533 E CB -0.430 29.345 29.700 0.125 0.000 0.752 533 E HN 0.620 nan 8.360 nan 0.000 0.449 534 I N 0.652 121.194 120.570 -0.047 0.000 2.142 534 I HA -0.259 3.908 4.170 -0.005 0.000 0.240 534 I C 2.869 178.943 176.117 -0.073 0.000 1.078 534 I CA 1.069 62.308 61.300 -0.100 0.000 1.343 534 I CB -0.304 37.606 38.000 -0.150 0.000 1.046 534 I HN 0.015 nan 8.210 nan 0.000 0.405 535 R N 0.598 121.066 120.500 -0.052 0.000 2.091 535 R HA -0.246 4.092 4.340 -0.005 0.000 0.238 535 R C 2.442 178.741 176.300 -0.002 0.000 1.136 535 R CA 1.853 57.966 56.100 0.022 0.000 0.959 535 R CB -0.445 29.847 30.300 -0.012 0.000 0.856 535 R HN 0.230 nan 8.270 nan 0.000 0.437 536 F N 1.527 121.298 119.950 -0.298 0.000 2.027 536 F HA -0.266 4.258 4.527 -0.005 0.000 0.297 536 F C 2.119 177.822 175.800 -0.161 0.000 1.129 536 F CA 1.954 59.761 58.000 -0.322 0.000 1.195 536 F CB -0.384 38.281 39.000 -0.558 0.000 0.960 536 F HN -0.065 nan 8.300 nan 0.000 0.485 537 R N -0.496 119.790 120.500 -0.356 0.000 2.120 537 R HA -0.219 4.118 4.340 -0.005 0.000 0.234 537 R C 2.392 178.533 176.300 -0.266 0.000 1.123 537 R CA 1.495 57.324 56.100 -0.452 0.000 0.975 537 R CB -1.051 29.107 30.300 -0.237 0.000 0.866 537 R HN 0.684 nan 8.270 nan 0.000 0.446 538 W N 1.487 122.586 121.300 -0.336 0.000 2.418 538 W HA -0.112 4.546 4.660 -0.004 0.000 0.292 538 W C 1.166 177.579 176.519 -0.178 0.000 1.213 538 W CA 0.847 58.041 57.345 -0.252 0.000 1.283 538 W CB -0.045 29.276 29.460 -0.231 0.000 1.119 538 W HN 0.044 nan 8.180 nan 0.000 0.542 539 L N 0.687 121.684 121.223 -0.376 0.000 2.109 539 L HA -0.147 4.191 4.340 -0.005 0.000 0.207 539 L C 2.885 179.503 176.870 -0.420 0.000 1.086 539 L CA 1.033 55.588 54.840 -0.475 0.000 0.760 539 L CB -0.885 41.004 42.059 -0.282 0.000 0.910 539 L HN -0.108 nan 8.230 nan 0.000 0.437 540 R N 0.070 120.315 120.500 -0.425 0.000 2.082 540 R HA -0.217 4.120 4.340 -0.005 0.000 0.234 540 R C 2.272 178.369 176.300 -0.338 0.000 1.136 540 R CA 1.618 57.478 56.100 -0.400 0.000 0.935 540 R CB -0.815 29.156 30.300 -0.549 0.000 0.842 540 R HN 0.169 nan 8.270 nan 0.000 0.430 541 L N 0.934 121.957 121.223 -0.333 0.000 2.089 541 L HA -0.261 4.076 4.340 -0.005 0.000 0.213 541 L C 2.234 178.917 176.870 -0.312 0.000 1.079 541 L CA 1.738 56.411 54.840 -0.279 0.000 0.758 541 L CB -0.504 41.435 42.059 -0.201 0.000 0.891 541 L HN 0.246 nan 8.230 nan 0.000 0.433 542 C N -0.895 118.139 119.300 -0.443 0.000 2.453 542 C HA -0.096 4.362 4.460 -0.005 0.000 0.277 542 C C 2.657 177.492 174.990 -0.258 0.000 1.262 542 C CA 0.420 59.209 59.018 -0.382 0.000 1.718 542 C CB -0.828 26.567 27.740 -0.576 0.000 2.031 542 C HN 0.560 nan 8.230 nan 0.000 0.480 543 I N 0.987 121.386 120.570 -0.284 0.000 2.142 543 I HA -0.197 3.971 4.170 -0.005 0.000 0.240 543 I C 2.565 178.429 176.117 -0.421 0.000 1.078 543 I CA 1.670 62.809 61.300 -0.268 0.000 1.343 543 I CB -1.695 36.218 38.000 -0.145 0.000 1.046 543 I HN 0.511 nan 8.210 nan 0.000 0.405 544 Q N 0.218 119.830 119.800 -0.313 0.000 2.181 544 Q HA -0.136 4.201 4.340 -0.005 0.000 0.205 544 Q C 1.832 177.644 176.000 -0.314 0.000 0.980 544 Q CA 1.619 57.247 55.803 -0.291 0.000 0.862 544 Q CB -0.164 28.444 28.738 -0.217 0.000 0.905 544 Q HN 0.404 nan 8.270 nan 0.000 0.429 545 S N 0.254 115.776 115.700 -0.297 0.000 2.634 545 S HA 0.083 4.550 4.470 -0.005 0.000 0.221 545 S C -0.179 174.247 174.600 -0.289 0.000 0.952 545 S CA -0.091 57.959 58.200 -0.249 0.000 0.930 545 S CB 0.271 63.357 63.200 -0.190 0.000 0.780 545 S HN 0.258 nan 8.310 nan 0.000 0.498 546 K N -0.012 120.072 120.400 -0.527 0.000 3.167 546 K HA -0.163 4.154 4.320 -0.005 0.000 0.272 546 K C -0.892 175.626 176.600 -0.136 0.000 1.137 546 K CA 0.480 56.284 56.287 -0.805 0.000 0.800 546 K CB -1.838 30.373 32.500 -0.481 0.000 1.253 546 K HN 0.503 nan 8.250 nan 0.000 0.497 547 W N 2.810 123.968 121.300 -0.238 0.000 2.387 547 W HA 0.166 4.823 4.660 -0.005 0.000 0.310 547 W C 1.085 177.656 176.519 0.086 0.000 1.181 547 W CA -0.612 56.697 57.345 -0.060 0.000 1.333 547 W CB 0.144 29.522 29.460 -0.137 0.000 1.286 547 W HN 0.148 nan 8.180 nan 0.000 0.455 548 E N 2.000 122.425 120.200 0.375 0.000 2.150 548 E HA -0.218 4.129 4.350 -0.005 0.000 0.193 548 E C 1.174 177.703 176.600 -0.118 0.000 0.985 548 E CA 1.376 57.879 56.400 0.172 0.000 0.814 548 E CB 0.257 30.045 29.700 0.146 0.000 0.752 548 E HN 0.377 nan 8.360 nan 0.000 0.466 549 D N 0.283 120.426 120.400 -0.428 0.000 2.265 549 D HA -0.141 4.496 4.640 -0.005 0.000 0.208 549 D C 1.480 177.434 176.300 -0.575 0.000 0.977 549 D CA 1.099 54.729 54.000 -0.617 0.000 0.871 549 D CB -0.040 40.098 40.800 -1.103 0.000 0.925 549 D HN 0.205 nan 8.370 nan 0.000 0.485 550 A N -0.434 122.059 122.820 -0.545 0.000 2.195 550 A HA 0.121 4.439 4.320 -0.005 0.000 0.210 550 A C 2.060 179.510 177.584 -0.225 0.000 1.165 550 A CA -0.130 51.658 52.037 -0.415 0.000 0.806 550 A CB -0.219 18.526 19.000 -0.424 0.000 0.847 550 A HN 0.131 nan 8.150 nan 0.000 0.482 551 I N 1.145 121.633 120.570 -0.137 0.000 2.091 551 I HA -0.208 3.959 4.170 -0.005 0.000 0.239 551 I C -0.266 175.779 176.117 -0.119 0.000 1.061 551 I CA 1.874 63.121 61.300 -0.088 0.000 1.317 551 I CB -1.208 36.753 38.000 -0.064 0.000 1.031 551 I HN 0.225 nan 8.210 nan 0.000 0.401 552 P HA -0.158 nan 4.420 nan 0.000 0.216 552 P C 1.939 179.171 177.300 -0.114 0.000 1.150 552 P CA 1.702 64.739 63.100 -0.105 0.000 0.837 552 P CB -0.107 31.537 31.700 -0.093 0.000 0.786 553 L N -0.749 120.392 121.223 -0.137 0.000 2.056 553 L HA -0.080 4.257 4.340 -0.005 0.000 0.207 553 L C 2.779 179.569 176.870 -0.134 0.000 1.078 553 L CA 1.578 56.344 54.840 -0.124 0.000 0.749 553 L CB -1.319 40.658 42.059 -0.137 0.000 0.901 553 L HN -0.053 nan 8.230 nan 0.000 0.433 554 A N 0.319 123.042 122.820 -0.161 0.000 1.898 554 A HA -0.112 4.205 4.320 -0.005 0.000 0.216 554 A C 2.276 179.730 177.584 -0.216 0.000 1.181 554 A CA 1.135 53.068 52.037 -0.173 0.000 0.620 554 A CB -0.604 18.294 19.000 -0.172 0.000 0.819 554 A HN 0.321 nan 8.150 nan 0.000 0.442 555 L N -0.495 120.599 121.223 -0.214 0.000 2.046 555 L HA -0.220 4.117 4.340 -0.005 0.000 0.208 555 L C 2.639 179.378 176.870 -0.219 0.000 1.077 555 L CA 2.017 56.700 54.840 -0.261 0.000 0.747 555 L CB -0.380 41.583 42.059 -0.160 0.000 0.896 555 L HN 0.501 nan 8.230 nan 0.000 0.432 556 K N 0.325 120.639 120.400 -0.144 0.000 2.025 556 K HA -0.230 4.088 4.320 -0.005 0.000 0.207 556 K C 2.261 178.801 176.600 -0.100 0.000 1.049 556 K CA 1.588 57.815 56.287 -0.100 0.000 0.933 556 K CB -0.120 32.339 32.500 -0.069 0.000 0.714 556 K HN 0.115 nan 8.250 nan 0.000 0.438 557 M N 0.382 119.920 119.600 -0.103 0.000 2.117 557 M HA -0.140 4.337 4.480 -0.005 0.000 0.262 557 M C 1.995 178.248 176.300 -0.078 0.000 1.065 557 M CA 1.808 57.063 55.300 -0.076 0.000 1.114 557 M CB -0.109 32.449 32.600 -0.070 0.000 1.361 557 M HN 0.313 nan 8.290 nan 0.000 0.408 558 A N -0.558 122.160 122.820 -0.170 0.000 1.972 558 A HA -0.162 4.156 4.320 -0.005 0.000 0.219 558 A C 2.059 179.591 177.584 -0.086 0.000 1.169 558 A CA 2.179 54.086 52.037 -0.217 0.000 0.635 558 A CB -0.985 17.594 19.000 -0.701 0.000 0.810 558 A HN 0.697 nan 8.150 nan 0.000 0.446 559 T N -4.475 109.997 114.554 -0.136 0.000 2.969 559 T HA 0.204 4.551 4.350 -0.005 0.000 0.250 559 T C 1.398 176.058 174.700 -0.068 0.000 1.021 559 T CA 0.664 62.684 62.100 -0.134 0.000 1.003 559 T CB 0.060 68.677 68.868 -0.418 0.000 1.040 559 T HN 0.446 nan 8.240 nan 0.000 0.492 560 E N 1.203 121.379 120.200 -0.041 0.000 2.274 560 E HA -0.000 4.347 4.350 -0.005 0.000 0.194 560 E C 0.607 177.224 176.600 0.029 0.000 0.996 560 E CA 0.703 57.105 56.400 0.003 0.000 0.840 560 E CB 0.157 29.855 29.700 -0.002 0.000 0.772 560 E HN 0.777 nan 8.360 nan 0.000 0.491 561 Q N -2.645 117.178 119.800 0.039 0.000 2.605 561 Q HA 0.554 4.891 4.340 -0.005 0.000 0.296 561 Q C 0.153 176.193 176.000 0.067 0.000 1.056 561 Q CA -0.743 55.097 55.803 0.063 0.000 0.778 561 Q CB 1.218 30.010 28.738 0.089 0.000 1.497 561 Q HN -0.059 nan 8.270 nan 0.000 0.443 562 G N -0.337 108.493 108.800 0.050 0.000 4.165 562 G HA2 0.110 4.067 3.960 -0.005 0.000 0.287 562 G HA3 0.110 4.067 3.960 -0.005 0.000 0.287 562 G C -0.561 174.285 174.900 -0.090 0.000 1.019 562 G CA -0.560 44.552 45.100 0.020 0.000 0.806 562 G HN 0.417 nan 8.290 nan 0.000 0.447 563 R N 1.070 121.507 120.500 -0.106 0.000 2.446 563 R HA 0.189 4.526 4.340 -0.005 0.000 0.325 563 R C 1.527 177.636 176.300 -0.318 0.000 0.997 563 R CA -0.189 55.741 56.100 -0.283 0.000 1.010 563 R CB 0.160 30.246 30.300 -0.356 0.000 0.946 563 R HN 0.184 nan 8.270 nan 0.000 0.422 564 M N 3.544 122.922 119.600 -0.370 0.000 2.213 564 M HA -0.233 4.244 4.480 -0.005 0.000 0.263 564 M C 2.045 178.205 176.300 -0.232 0.000 1.062 564 M CA 1.685 56.833 55.300 -0.253 0.000 1.105 564 M CB -0.232 32.200 32.600 -0.279 0.000 1.385 564 M HN 0.609 nan 8.290 nan 0.000 0.417 565 K N 0.485 120.659 120.400 -0.377 0.000 2.127 565 K HA -0.206 4.111 4.320 -0.005 0.000 0.208 565 K C 1.272 177.539 176.600 -0.556 0.000 1.047 565 K CA 1.718 57.719 56.287 -0.476 0.000 0.927 565 K CB 0.047 32.121 32.500 -0.710 0.000 0.716 565 K HN 0.183 nan 8.250 nan 0.000 0.450 566 F N -0.148 119.495 119.950 -0.513 0.000 2.399 566 F HA 0.121 4.645 4.527 -0.004 0.000 0.282 566 F C 2.506 178.241 175.800 -0.109 0.000 1.027 566 F CA 0.558 58.194 58.000 -0.606 0.000 1.333 566 F CB -1.011 37.719 39.000 -0.450 0.000 1.132 566 F HN -0.105 nan 8.300 nan 0.000 0.590 567 T N 0.753 115.382 114.554 0.125 0.000 2.720 567 T HA -0.169 4.178 4.350 -0.005 0.000 0.268 567 T C 2.174 177.018 174.700 0.240 0.000 1.037 567 T CA 1.517 63.721 62.100 0.174 0.000 1.144 567 T CB -0.203 68.764 68.868 0.165 0.000 0.864 567 T HN 0.111 nan 8.240 nan 0.000 0.444 568 R N 0.520 121.101 120.500 0.134 0.000 2.062 568 R HA -0.049 4.288 4.340 -0.005 0.000 0.231 568 R C -0.518 175.873 176.300 0.151 0.000 1.136 568 R CA 1.464 57.636 56.100 0.121 0.000 0.948 568 R CB -1.123 29.194 30.300 0.028 0.000 0.845 568 R HN 0.348 nan 8.270 nan 0.000 0.430 569 P HA -0.058 nan 4.420 nan 0.000 0.222 569 P C 1.081 178.472 177.300 0.153 0.000 1.153 569 P CA 0.954 64.157 63.100 0.173 0.000 0.798 569 P CB 0.079 31.952 31.700 0.289 0.000 0.796 570 L N -2.344 118.997 121.223 0.196 0.000 2.017 570 L HA -0.171 4.167 4.340 -0.005 0.000 0.208 570 L C 2.278 179.137 176.870 -0.019 0.000 1.073 570 L CA 1.549 56.419 54.840 0.050 0.000 0.745 570 L CB -0.887 41.186 42.059 0.023 0.000 0.894 570 L HN -0.074 nan 8.230 nan 0.000 0.432 571 F N 0.439 120.401 119.950 0.019 0.000 2.102 571 F HA -0.231 4.293 4.527 -0.004 0.000 0.298 571 F C 2.628 178.413 175.800 -0.025 0.000 1.105 571 F CA 1.485 59.475 58.000 -0.016 0.000 1.239 571 F CB -0.383 38.591 39.000 -0.044 0.000 0.991 571 F HN -0.083 nan 8.300 nan 0.000 0.474 572 K N 0.069 120.571 120.400 0.170 0.000 2.020 572 K HA -0.224 4.094 4.320 -0.005 0.000 0.212 572 K C 1.780 178.420 176.600 0.068 0.000 1.050 572 K CA 2.006 58.344 56.287 0.084 0.000 0.929 572 K CB -0.455 32.071 32.500 0.043 0.000 0.714 572 K HN 0.151 nan 8.250 nan 0.000 0.443 573 D N 0.830 121.255 120.400 0.042 0.000 2.092 573 D HA -0.165 4.473 4.640 -0.005 0.000 0.193 573 D C 1.929 178.272 176.300 0.070 0.000 0.994 573 D CA 1.070 55.080 54.000 0.016 0.000 0.828 573 D CB -0.284 40.489 40.800 -0.046 0.000 0.963 573 D HN 0.112 nan 8.370 nan 0.000 0.450 574 L N 0.313 121.573 121.223 0.060 0.000 2.131 574 L HA -0.146 4.191 4.340 -0.005 0.000 0.210 574 L C 2.390 179.335 176.870 0.125 0.000 1.092 574 L CA 1.080 55.974 54.840 0.089 0.000 0.759 574 L CB -0.349 41.705 42.059 -0.008 0.000 0.903 574 L HN -0.003 nan 8.230 nan 0.000 0.435 575 A N -0.257 122.636 122.820 0.122 0.000 1.969 575 A HA -0.030 4.287 4.320 -0.005 0.000 0.218 575 A C 2.408 180.164 177.584 0.287 0.000 1.169 575 A CA 1.450 53.578 52.037 0.150 0.000 0.635 575 A CB -0.464 18.596 19.000 0.100 0.000 0.810 575 A HN 0.379 nan 8.150 nan 0.000 0.445 576 A N -1.705 121.233 122.820 0.195 0.000 2.123 576 A HA 0.323 4.640 4.320 -0.005 0.000 0.214 576 A C 0.589 178.302 177.584 0.216 0.000 1.152 576 A CA 0.006 52.139 52.037 0.160 0.000 0.728 576 A CB -0.240 18.811 19.000 0.084 0.000 0.814 576 A HN 0.427 nan 8.150 nan 0.000 0.464 577 F N 2.424 122.401 119.950 0.044 0.000 2.424 577 F HA 0.322 4.846 4.527 -0.005 0.000 0.356 577 F C 0.843 176.676 175.800 0.054 0.000 1.110 577 F CA -1.861 56.154 58.000 0.026 0.000 1.161 577 F CB 0.789 39.790 39.000 0.002 0.000 1.115 577 F HN 0.321 nan 8.300 nan 0.000 0.507 578 D N 3.765 124.278 120.400 0.188 0.000 2.218 578 D HA -0.193 4.445 4.640 -0.005 0.000 0.204 578 D C 1.263 177.428 176.300 -0.225 0.000 0.976 578 D CA 1.279 55.265 54.000 -0.024 0.000 0.853 578 D CB -0.133 40.669 40.800 0.003 0.000 0.939 578 D HN 0.376 nan 8.370 nan 0.000 0.481 579 K N 0.191 120.193 120.400 -0.665 0.000 2.217 579 K HA 0.020 4.338 4.320 -0.005 0.000 0.202 579 K C 1.867 178.176 176.600 -0.485 0.000 1.051 579 K CA 1.202 57.092 56.287 -0.662 0.000 0.952 579 K CB -0.094 31.824 32.500 -0.970 0.000 0.736 579 K HN 0.426 nan 8.250 nan 0.000 0.453 580 S N -0.678 114.731 115.700 -0.485 0.000 2.559 580 S HA 0.028 4.496 4.470 -0.005 0.000 0.226 580 S C 1.605 176.177 174.600 -0.046 0.000 1.000 580 S CA -0.404 57.677 58.200 -0.198 0.000 0.948 580 S CB -0.189 62.935 63.200 -0.126 0.000 0.870 580 S HN 0.263 nan 8.310 nan 0.000 0.497 581 H N 2.687 121.706 119.070 -0.085 0.000 2.289 581 H HA -0.134 4.419 4.556 -0.005 0.000 0.296 581 H C 0.919 176.256 175.328 0.015 0.000 1.091 581 H CA 2.389 58.433 56.048 -0.007 0.000 1.274 581 H CB -0.365 29.395 29.762 -0.004 0.000 1.364 581 H HN 0.338 nan 8.280 nan 0.000 0.490 582 D N 0.333 120.785 120.400 0.087 0.000 2.144 582 D HA -0.136 4.501 4.640 -0.005 0.000 0.199 582 D C 2.363 178.659 176.300 -0.006 0.000 0.984 582 D CA 0.771 54.802 54.000 0.052 0.000 0.834 582 D CB -0.372 40.475 40.800 0.079 0.000 0.955 582 D HN 0.519 nan 8.370 nan 0.000 0.465 583 Q N 0.076 119.872 119.800 -0.006 0.000 2.079 583 Q HA -0.087 4.250 4.340 -0.005 0.000 0.200 583 Q C 2.077 178.108 176.000 0.052 0.000 0.974 583 Q CA 1.213 57.023 55.803 0.012 0.000 0.840 583 Q CB 0.006 28.738 28.738 -0.010 0.000 0.898 583 Q HN 0.198 nan 8.270 nan 0.000 0.430 584 A N 0.023 122.864 122.820 0.035 0.000 1.859 584 A HA -0.206 4.111 4.320 -0.005 0.000 0.217 584 A C 2.213 179.921 177.584 0.207 0.000 1.198 584 A CA 1.880 54.009 52.037 0.154 0.000 0.629 584 A CB -1.091 17.965 19.000 0.093 0.000 0.830 584 A HN 0.301 nan 8.150 nan 0.000 0.446 585 V N -0.039 119.873 119.914 -0.003 0.000 2.287 585 V HA -0.291 3.826 4.120 -0.005 0.000 0.248 585 V C 2.695 178.855 176.094 0.110 0.000 1.053 585 V CA 2.475 64.783 62.300 0.014 0.000 1.027 585 V CB -0.820 30.941 31.823 -0.103 0.000 0.646 585 V HN 0.667 nan 8.190 nan 0.000 0.447 586 R N -0.390 120.158 120.500 0.080 0.000 2.096 586 R HA -0.157 4.180 4.340 -0.005 0.000 0.235 586 R C 2.291 178.665 176.300 0.122 0.000 1.127 586 R CA 2.023 58.169 56.100 0.077 0.000 0.968 586 R CB -0.344 29.988 30.300 0.052 0.000 0.861 586 R HN 0.572 nan 8.270 nan 0.000 0.440 587 T N -0.088 114.595 114.554 0.214 0.000 2.857 587 T HA -0.154 4.193 4.350 -0.005 0.000 0.266 587 T C 1.266 176.217 174.700 0.418 0.000 1.048 587 T CA 1.219 63.522 62.100 0.340 0.000 1.139 587 T CB -0.441 68.644 68.868 0.362 0.000 0.874 587 T HN 0.354 nan 8.240 nan 0.000 0.455 588 Y N 2.172 122.576 120.300 0.174 0.000 2.128 588 Y HA -0.216 4.332 4.550 -0.004 0.000 0.284 588 Y C 2.461 178.353 175.900 -0.013 0.000 1.154 588 Y CA 1.447 59.483 58.100 -0.106 0.000 1.149 588 Y CB -0.593 37.641 38.460 -0.377 0.000 0.976 588 Y HN 0.204 nan 8.280 nan 0.000 0.505 589 Q N -0.058 119.611 119.800 -0.218 0.000 2.084 589 Q HA -0.208 4.129 4.340 -0.005 0.000 0.202 589 Q C 2.120 177.991 176.000 -0.216 0.000 0.978 589 Q CA 2.003 57.629 55.803 -0.295 0.000 0.844 589 Q CB -0.158 28.518 28.738 -0.103 0.000 0.898 589 Q HN 0.638 nan 8.270 nan 0.000 0.426 590 E N -0.858 119.277 120.200 -0.108 0.000 2.208 590 E HA -0.157 4.191 4.350 -0.005 0.000 0.193 590 E C 1.350 177.796 176.600 -0.256 0.000 0.988 590 E CA 0.812 57.118 56.400 -0.156 0.000 0.828 590 E CB 0.112 29.733 29.700 -0.133 0.000 0.763 590 E HN 0.478 nan 8.360 nan 0.000 0.478 591 H N -0.265 118.748 119.070 -0.094 0.000 2.553 591 H HA 0.118 4.671 4.556 -0.005 0.000 0.276 591 H C 1.741 176.999 175.328 -0.116 0.000 0.979 591 H CA 0.506 56.523 56.048 -0.051 0.000 1.268 591 H CB 0.331 30.126 29.762 0.055 0.000 1.450 591 H HN -0.089 nan 8.280 nan 0.000 0.527 592 K N 1.086 121.367 120.400 -0.199 0.000 2.066 592 K HA -0.321 3.996 4.320 -0.005 0.000 0.221 592 K C 2.191 178.718 176.600 -0.122 0.000 1.056 592 K CA 1.934 58.040 56.287 -0.302 0.000 0.950 592 K CB -0.292 31.864 32.500 -0.575 0.000 0.726 592 K HN 0.314 nan 8.250 nan 0.000 0.456 593 A N 0.060 122.815 122.820 -0.109 0.000 1.978 593 A HA -0.142 4.175 4.320 -0.005 0.000 0.220 593 A C 1.917 179.491 177.584 -0.017 0.000 1.170 593 A CA 2.170 54.171 52.037 -0.061 0.000 0.636 593 A CB -0.445 18.517 19.000 -0.063 0.000 0.810 593 A HN 0.562 nan 8.150 nan 0.000 0.448 594 S N -1.956 113.748 115.700 0.006 0.000 2.557 594 S HA 0.455 4.923 4.470 -0.005 0.000 0.223 594 S C 0.541 175.194 174.600 0.089 0.000 0.969 594 S CA -0.372 57.859 58.200 0.052 0.000 0.927 594 S CB -0.268 62.968 63.200 0.059 0.000 0.806 594 S HN 0.434 nan 8.310 nan 0.000 0.489 595 M N 1.990 121.637 119.600 0.078 0.000 2.283 595 M HA 0.281 4.758 4.480 -0.005 0.000 0.314 595 M C 0.599 176.958 176.300 0.099 0.000 1.153 595 M CA -0.604 54.763 55.300 0.112 0.000 1.084 595 M CB 0.553 33.218 32.600 0.109 0.000 1.468 595 M HN 0.282 nan 8.290 nan 0.000 0.474 596 H N 3.495 122.588 119.070 0.039 0.000 2.928 596 H HA 0.031 4.584 4.556 -0.005 0.000 0.338 596 H C -1.808 173.504 175.328 -0.026 0.000 1.047 596 H CA -0.599 55.447 56.048 -0.002 0.000 1.435 596 H CB 0.904 30.666 29.762 0.001 0.000 1.428 596 H HN 0.363 nan 8.280 nan 0.000 0.590 597 P HA -0.167 nan 4.420 nan 0.000 0.218 597 P C 1.533 178.825 177.300 -0.014 0.000 1.148 597 P CA 0.829 63.839 63.100 -0.151 0.000 0.822 597 P CB 0.394 31.950 31.700 -0.240 0.000 0.784 598 V N -0.174 119.804 119.914 0.105 0.000 2.446 598 V HA -0.122 3.995 4.120 -0.005 0.000 0.244 598 V C 2.650 178.782 176.094 0.064 0.000 1.039 598 V CA 2.207 64.559 62.300 0.086 0.000 1.045 598 V CB -1.707 30.154 31.823 0.064 0.000 0.681 598 V HN 0.146 nan 8.190 nan 0.000 0.459 599 T N 0.829 115.440 114.554 0.095 0.000 2.652 599 T HA -0.206 4.141 4.350 -0.005 0.000 0.267 599 T C 2.123 176.851 174.700 0.047 0.000 1.039 599 T CA 1.828 63.937 62.100 0.015 0.000 1.153 599 T CB -0.523 68.349 68.868 0.008 0.000 0.863 599 T HN 0.544 nan 8.240 nan 0.000 0.428 600 A N 1.969 124.848 122.820 0.099 0.000 1.927 600 A HA -0.181 4.137 4.320 -0.005 0.000 0.220 600 A C 2.304 179.979 177.584 0.152 0.000 1.185 600 A CA 2.015 54.153 52.037 0.168 0.000 0.639 600 A CB -0.739 18.324 19.000 0.105 0.000 0.820 600 A HN 0.433 nan 8.150 nan 0.000 0.451 601 M N -0.540 119.105 119.600 0.075 0.000 2.077 601 M HA -0.052 4.425 4.480 -0.005 0.000 0.261 601 M C 2.079 178.381 176.300 0.002 0.000 1.070 601 M CA 1.754 57.085 55.300 0.051 0.000 1.125 601 M CB -0.693 31.934 32.600 0.045 0.000 1.339 601 M HN 0.437 nan 8.290 nan 0.000 0.409 602 L N -0.486 120.727 121.223 -0.017 0.000 2.056 602 L HA -0.173 4.165 4.340 -0.005 0.000 0.207 602 L C 2.424 179.224 176.870 -0.116 0.000 1.078 602 L CA 0.693 55.508 54.840 -0.042 0.000 0.749 602 L CB -0.713 41.332 42.059 -0.023 0.000 0.901 602 L HN 0.102 nan 8.230 nan 0.000 0.433 603 V N 0.194 120.000 119.914 -0.179 0.000 2.343 603 V HA -0.215 3.902 4.120 -0.005 0.000 0.247 603 V C 2.641 178.348 176.094 -0.645 0.000 1.051 603 V CA 1.995 64.066 62.300 -0.383 0.000 1.036 603 V CB -1.348 30.191 31.823 -0.475 0.000 0.654 603 V HN 0.572 nan 8.190 nan 0.000 0.451 604 G N -0.392 108.026 108.800 -0.636 0.000 2.459 604 G HA2 -0.304 3.653 3.960 -0.005 0.000 0.217 604 G HA3 -0.304 3.653 3.960 -0.005 0.000 0.217 604 G C 1.676 176.426 174.900 -0.249 0.000 1.183 604 G CA 1.131 45.910 45.100 -0.535 0.000 0.776 604 G HN 0.454 nan 8.290 nan 0.000 0.552 605 K N 0.037 120.357 120.400 -0.132 0.000 2.063 605 K HA -0.110 4.207 4.320 -0.005 0.000 0.208 605 K C 2.237 178.789 176.600 -0.080 0.000 1.048 605 K CA 1.453 57.699 56.287 -0.068 0.000 0.928 605 K CB -0.121 32.364 32.500 -0.025 0.000 0.713 605 K HN 0.139 nan 8.250 nan 0.000 0.442 606 D N 0.621 120.950 120.400 -0.118 0.000 2.123 606 D HA -0.151 4.486 4.640 -0.005 0.000 0.196 606 D C 1.576 177.818 176.300 -0.098 0.000 0.992 606 D CA 1.125 55.068 54.000 -0.095 0.000 0.833 606 D CB 0.004 40.740 40.800 -0.108 0.000 0.954 606 D HN 0.182 nan 8.370 nan 0.000 0.455 607 L N -0.449 120.665 121.223 -0.182 0.000 2.591 607 L HA 0.058 4.395 4.340 -0.005 0.000 0.228 607 L C 0.307 177.137 176.870 -0.066 0.000 1.133 607 L CA -0.040 54.712 54.840 -0.147 0.000 0.880 607 L CB 0.046 41.931 42.059 -0.290 0.000 1.033 607 L HN -0.104 nan 8.230 nan 0.000 0.450 608 K N -0.429 119.938 120.400 -0.055 0.000 3.069 608 K HA -0.164 4.153 4.320 -0.005 0.000 0.267 608 K C -0.241 176.362 176.600 0.004 0.000 1.082 608 K CA 1.021 57.303 56.287 -0.008 0.000 0.782 608 K CB -1.965 30.550 32.500 0.026 0.000 1.230 608 K HN 0.382 nan 8.250 nan 0.000 0.488 609 V N 0.000 119.902 119.914 -0.020 0.000 2.409 609 V HA 0.000 4.117 4.120 -0.005 0.000 0.244 609 V CA 0.000 62.329 62.300 0.048 0.000 1.235 609 V CB 0.000 31.886 31.823 0.104 0.000 1.184 609 V HN 0.000 nan 8.190 nan 0.000 0.556