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 1gk2_1_C DATA FIRST_RESID 1 DATA SEQUENCE TELTLKPGTL TLAQLRAIHA APVRLQLDAS AAPAIDASVA CVEQIIAEDR DATA SEQUENCE TAYGINTGFG LLASTRIASH DLENLQRSLV LSHAAGIGAP LDDDLVRLIM DATA SEQUENCE VLKINSLSRG FSGIRRKVID ALIALVNAEV YPHIPLKGSV GASGDLAPLA DATA SEQUENCE HMSLVLLGEG KARYKGQWLS ATEALAVAGL EPLTLAAKEG LALLNGTQAS DATA SEQUENCE TAYALRGLFY AEDLYAAAIA CGGLSVEAVL GSRSPFDARI HEARGQRGQI DATA SEQUENCE DTAACFRDLL GDSSEVSLSH KNADKVQDPY SLRCQPQVMG ACLTQLRQAA DATA SEQUENCE EVLGIEANAV SDNPLVFAAE GDVISGGNGH AEPVAMAADN LALAIAEIGS DATA SEQUENCE LSERRISLMM DKHMSQLPPF LVENGGVNSG FMIAQVTAAA LASENKALSH DATA SEQUENCE PHSVDSLPTS ANQEDHVSMA PAAGKRLWEM AENTRGVLAI EWLGACQGLD DATA SEQUENCE LRKGLKTSAK LEKARQALRS EVAHYDRDRF FAPDIEKAVE LLAKGSLTGL DATA SEQUENCE LPAGVLPSL 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 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.705 174.700 0.009 0.000 1.109 1 T CA 0.000 62.103 62.100 0.006 0.000 1.349 1 T CB 0.000 68.872 68.868 0.007 0.000 0.612 2 E N 2.279 122.484 120.200 0.009 0.000 2.220 2 E HA 0.233 4.583 4.350 -0.000 0.000 0.272 2 E C -0.642 175.965 176.600 0.011 0.000 1.099 2 E CA -0.310 56.096 56.400 0.011 0.000 0.907 2 E CB 0.658 30.364 29.700 0.009 0.000 1.022 2 E HN 0.309 nan 8.360 nan 0.000 0.428 3 L N 4.490 125.722 121.223 0.015 0.000 2.264 3 L HA 0.262 4.602 4.340 -0.000 0.000 0.289 3 L C -0.388 176.492 176.870 0.017 0.000 1.044 3 L CA -0.072 54.778 54.840 0.016 0.000 0.807 3 L CB 1.457 43.528 42.059 0.021 0.000 1.192 3 L HN 0.174 nan 8.230 nan 0.000 0.425 4 T N 6.750 121.313 114.554 0.015 0.000 2.811 4 T HA 0.324 4.674 4.350 -0.000 0.000 0.309 4 T C -0.310 174.401 174.700 0.018 0.000 1.005 4 T CA -0.215 61.894 62.100 0.015 0.000 0.955 4 T CB 0.191 69.066 68.868 0.012 0.000 0.970 4 T HN 0.486 nan 8.240 nan 0.000 0.496 5 L N 4.540 125.775 121.223 0.021 0.000 2.361 5 L HA 0.307 4.647 4.340 -0.000 0.000 0.278 5 L C 0.132 177.017 176.870 0.025 0.000 1.113 5 L CA 0.250 55.105 54.840 0.025 0.000 0.849 5 L CB 0.084 42.161 42.059 0.029 0.000 1.155 5 L HN 0.372 nan 8.230 nan 0.000 0.452 6 K N 7.329 127.745 120.400 0.027 0.000 2.299 6 K HA 0.371 4.691 4.320 -0.000 0.000 0.268 6 K C -2.356 174.266 176.600 0.037 0.000 1.075 6 K CA -1.708 54.597 56.287 0.029 0.000 0.936 6 K CB 0.779 33.295 32.500 0.027 0.000 1.228 6 K HN 0.432 nan 8.250 nan 0.000 0.454 7 P HA -0.063 nan 4.420 nan 0.000 0.266 7 P C 0.725 178.062 177.300 0.061 0.000 1.195 7 P CA 0.719 63.850 63.100 0.052 0.000 0.768 7 P CB 0.635 32.370 31.700 0.058 0.000 0.838 8 G N 1.914 110.749 108.800 0.059 0.000 2.176 8 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.253 8 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.253 8 G C 0.625 175.552 174.900 0.045 0.000 0.979 8 G CA 0.553 45.687 45.100 0.056 0.000 0.641 8 G HN 0.711 nan 8.290 nan 0.000 0.530 9 T N -1.323 113.256 114.554 0.042 0.000 3.132 9 T HA 0.610 4.960 4.350 -0.000 0.000 0.274 9 T C 0.953 175.673 174.700 0.034 0.000 1.011 9 T CA -0.213 61.908 62.100 0.035 0.000 0.899 9 T CB 0.251 69.138 68.868 0.032 0.000 1.089 9 T HN 0.408 nan 8.240 nan 0.000 0.543 10 L N 3.696 124.942 121.223 0.038 0.000 2.490 10 L HA 0.278 4.617 4.340 -0.000 0.000 0.274 10 L C 1.244 178.138 176.870 0.041 0.000 1.201 10 L CA -0.145 54.720 54.840 0.041 0.000 0.869 10 L CB 0.526 42.614 42.059 0.049 0.000 1.123 10 L HN 0.427 nan 8.230 nan 0.000 0.484 11 T N -0.036 114.541 114.554 0.039 0.000 2.902 11 T HA 0.336 4.686 4.350 -0.000 0.000 0.280 11 T C 1.287 176.023 174.700 0.060 0.000 0.992 11 T CA -0.895 61.228 62.100 0.040 0.000 1.015 11 T CB 1.136 70.021 68.868 0.027 0.000 1.044 11 T HN 0.466 nan 8.240 nan 0.000 0.520 12 L N 1.035 122.301 121.223 0.071 0.000 2.079 12 L HA -0.059 4.281 4.340 -0.000 0.000 0.210 12 L C 3.183 180.109 176.870 0.093 0.000 1.081 12 L CA 1.693 56.609 54.840 0.127 0.000 0.752 12 L CB -1.002 41.132 42.059 0.125 0.000 0.896 12 L HN 0.959 nan 8.230 nan 0.000 0.433 13 A N -0.561 122.278 122.820 0.032 0.000 1.902 13 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 13 A C 2.209 179.770 177.584 -0.040 0.000 1.181 13 A CA 1.578 53.601 52.037 -0.022 0.000 0.623 13 A CB -0.435 18.555 19.000 -0.016 0.000 0.818 13 A HN 0.481 nan 8.150 nan 0.000 0.443 14 Q N -0.559 119.240 119.800 -0.002 0.000 2.119 14 Q HA -0.047 4.293 4.340 -0.000 0.000 0.201 14 Q C 2.043 178.048 176.000 0.010 0.000 0.972 14 Q CA 1.244 57.048 55.803 0.002 0.000 0.847 14 Q CB -0.282 28.469 28.738 0.021 0.000 0.903 14 Q HN 0.692 nan 8.270 nan 0.000 0.433 15 L N 0.111 121.366 121.223 0.053 0.000 2.056 15 L HA -0.176 4.164 4.340 -0.000 0.000 0.207 15 L C 2.635 179.504 176.870 -0.001 0.000 1.078 15 L CA 1.099 56.015 54.840 0.127 0.000 0.749 15 L CB -0.425 41.794 42.059 0.267 0.000 0.901 15 L HN 0.191 nan 8.230 nan 0.000 0.433 16 R N 0.596 120.882 120.500 -0.357 0.000 2.083 16 R HA -0.205 4.135 4.340 -0.000 0.000 0.237 16 R C 2.324 178.414 176.300 -0.351 0.000 1.137 16 R CA 1.626 57.182 56.100 -0.907 0.000 0.951 16 R CB -0.266 29.522 30.300 -0.854 0.000 0.851 16 R HN 0.329 nan 8.270 nan 0.000 0.434 17 A N 0.893 123.604 122.820 -0.181 0.000 1.902 17 A HA -0.126 4.194 4.320 -0.000 0.000 0.217 17 A C 2.166 179.719 177.584 -0.052 0.000 1.181 17 A CA 1.448 53.427 52.037 -0.098 0.000 0.623 17 A CB -0.464 18.500 19.000 -0.060 0.000 0.818 17 A HN 0.387 nan 8.150 nan 0.000 0.443 18 I N -1.230 119.333 120.570 -0.013 0.000 2.226 18 I HA -0.269 3.901 4.170 -0.000 0.000 0.245 18 I C 2.563 178.705 176.117 0.041 0.000 1.100 18 I CA 1.619 62.937 61.300 0.030 0.000 1.374 18 I CB -0.435 37.604 38.000 0.065 0.000 1.057 18 I HN 0.553 nan 8.210 nan 0.000 0.413 19 H N 1.154 120.197 119.070 -0.045 0.000 2.389 19 H HA -0.117 4.439 4.556 0.000 0.000 0.299 19 H C 2.148 177.427 175.328 -0.081 0.000 1.081 19 H CA 1.637 57.665 56.048 -0.034 0.000 1.345 19 H CB 0.337 30.131 29.762 0.054 0.000 1.393 19 H HN 0.350 nan 8.280 nan 0.000 0.520 20 A N 0.622 123.360 122.820 -0.136 0.000 2.016 20 A HA 0.416 4.736 4.320 -0.000 0.000 0.217 20 A C 1.113 178.610 177.584 -0.144 0.000 1.162 20 A CA 0.866 52.802 52.037 -0.169 0.000 0.662 20 A CB -0.114 18.822 19.000 -0.106 0.000 0.812 20 A HN 0.539 nan 8.150 nan 0.000 0.450 21 A N -1.675 121.084 122.820 -0.101 0.000 2.610 21 A HA 0.653 4.973 4.320 -0.000 0.000 0.291 21 A C -3.179 174.390 177.584 -0.025 0.000 1.086 21 A CA -1.517 50.480 52.037 -0.066 0.000 0.677 21 A CB 0.241 19.213 19.000 -0.046 0.000 1.278 21 A HN -0.027 nan 8.150 nan 0.000 0.414 22 P HA 0.301 nan 4.420 nan 0.000 0.267 22 P C -0.634 176.698 177.300 0.053 0.000 1.201 22 P CA 0.100 63.242 63.100 0.070 0.000 0.775 22 P CB 0.571 32.319 31.700 0.081 0.000 0.854 23 V N 2.840 122.799 119.914 0.075 0.000 2.914 23 V HA 0.515 4.635 4.120 -0.000 0.000 0.314 23 V C -0.260 175.863 176.094 0.047 0.000 1.084 23 V CA -0.780 61.551 62.300 0.051 0.000 0.963 23 V CB 2.368 34.223 31.823 0.053 0.000 1.025 23 V HN 0.341 nan 8.190 nan 0.000 0.432 24 R N 3.935 124.454 120.500 0.032 0.000 2.320 24 R HA 0.699 5.039 4.340 -0.000 0.000 0.319 24 R C -0.951 175.362 176.300 0.023 0.000 0.969 24 R CA -0.247 55.868 56.100 0.025 0.000 0.857 24 R CB 1.070 31.381 30.300 0.018 0.000 1.160 24 R HN 0.723 nan 8.270 nan 0.000 0.491 25 L N -0.268 120.969 121.223 0.023 0.000 2.283 25 L HA 0.807 5.146 4.340 -0.000 0.000 0.259 25 L C -1.185 175.695 176.870 0.017 0.000 1.027 25 L CA -1.049 53.804 54.840 0.022 0.000 0.828 25 L CB 2.327 44.403 42.059 0.029 0.000 1.380 25 L HN 0.329 nan 8.230 nan 0.000 0.425 26 Q N 1.255 121.065 119.800 0.016 0.000 2.391 26 Q HA 0.511 4.851 4.340 -0.000 0.000 0.279 26 Q C -1.552 174.456 176.000 0.014 0.000 1.028 26 Q CA -0.517 55.293 55.803 0.013 0.000 0.836 26 Q CB 2.418 31.162 28.738 0.009 0.000 1.414 26 Q HN 0.679 nan 8.270 nan 0.000 0.397 27 L N 2.408 123.639 121.223 0.013 0.000 2.455 27 L HA 0.197 4.537 4.340 -0.000 0.000 0.272 27 L C -0.065 176.811 176.870 0.011 0.000 1.174 27 L CA 0.405 55.253 54.840 0.013 0.000 0.869 27 L CB 0.474 42.539 42.059 0.010 0.000 1.130 27 L HN 0.702 nan 8.230 nan 0.000 0.474 28 D N 2.488 122.896 120.400 0.013 0.000 2.455 28 D HA 0.167 4.807 4.640 -0.000 0.000 0.241 28 D C 1.116 177.420 176.300 0.007 0.000 1.138 28 D CA 0.659 54.666 54.000 0.011 0.000 0.877 28 D CB 1.190 41.998 40.800 0.013 0.000 1.187 28 D HN 0.705 nan 8.370 nan 0.000 0.451 29 A N 2.638 125.461 122.820 0.005 0.000 1.978 29 A HA -0.198 4.122 4.320 -0.000 0.000 0.220 29 A C 2.097 179.682 177.584 0.001 0.000 1.170 29 A CA 1.918 53.956 52.037 0.002 0.000 0.636 29 A CB -0.856 18.145 19.000 0.001 0.000 0.810 29 A HN 0.655 nan 8.150 nan 0.000 0.448 30 S N -0.400 115.302 115.700 0.004 0.000 2.500 30 S HA 0.166 4.636 4.470 -0.000 0.000 0.239 30 S C 1.688 176.289 174.600 0.002 0.000 0.989 30 S CA 1.016 59.218 58.200 0.003 0.000 0.951 30 S CB -0.383 62.822 63.200 0.008 0.000 0.759 30 S HN 0.848 nan 8.310 nan 0.000 0.523 31 A N 1.226 124.048 122.820 0.003 0.000 2.081 31 A HA 0.622 4.942 4.320 -0.000 0.000 0.214 31 A C 2.392 179.969 177.584 -0.012 0.000 1.158 31 A CA 0.832 52.869 52.037 0.000 0.000 0.724 31 A CB -1.066 17.939 19.000 0.009 0.000 0.826 31 A HN 0.723 nan 8.150 nan 0.000 0.463 32 A N 1.139 123.952 122.820 -0.012 0.000 1.892 32 A HA -0.088 4.232 4.320 -0.000 0.000 0.218 32 A C 0.230 177.798 177.584 -0.027 0.000 1.188 32 A CA 2.027 54.053 52.037 -0.017 0.000 0.631 32 A CB -1.716 17.277 19.000 -0.012 0.000 0.822 32 A HN 0.436 nan 8.150 nan 0.000 0.447 33 P HA -0.172 nan 4.420 nan 0.000 0.214 33 P C 1.754 179.020 177.300 -0.056 0.000 1.163 33 P CA 2.213 65.292 63.100 -0.035 0.000 0.889 33 P CB -0.187 31.497 31.700 -0.028 0.000 0.790 34 A N -1.182 121.594 122.820 -0.073 0.000 1.930 34 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 34 A C 2.223 179.725 177.584 -0.136 0.000 1.175 34 A CA 1.308 53.267 52.037 -0.130 0.000 0.627 34 A CB -1.589 17.310 19.000 -0.168 0.000 0.815 34 A HN 0.108 nan 8.150 nan 0.000 0.443 35 I N -0.029 120.487 120.570 -0.089 0.000 2.179 35 I HA -0.231 3.939 4.170 -0.000 0.000 0.242 35 I C 1.842 177.921 176.117 -0.064 0.000 1.088 35 I CA 1.542 62.798 61.300 -0.072 0.000 1.357 35 I CB -0.382 37.594 38.000 -0.040 0.000 1.051 35 I HN 0.211 nan 8.210 nan 0.000 0.409 36 D N 0.966 121.335 120.400 -0.052 0.000 2.144 36 D HA -0.120 4.519 4.640 -0.000 0.000 0.200 36 D C 2.253 178.524 176.300 -0.049 0.000 0.978 36 D CA 1.495 55.470 54.000 -0.042 0.000 0.833 36 D CB -0.236 40.545 40.800 -0.032 0.000 0.961 36 D HN 0.341 nan 8.370 nan 0.000 0.470 37 A N 0.367 123.151 122.820 -0.060 0.000 1.933 37 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 37 A C 2.337 179.879 177.584 -0.069 0.000 1.175 37 A CA 1.869 53.870 52.037 -0.059 0.000 0.628 37 A CB -0.707 18.254 19.000 -0.065 0.000 0.814 37 A HN 0.195 nan 8.150 nan 0.000 0.444 38 S N -0.533 115.108 115.700 -0.098 0.000 2.359 38 S HA -0.158 4.312 4.470 -0.000 0.000 0.224 38 S C 1.932 176.492 174.600 -0.067 0.000 1.035 38 S CA 1.772 59.911 58.200 -0.101 0.000 1.018 38 S CB -0.503 62.619 63.200 -0.130 0.000 0.876 38 S HN 0.348 nan 8.310 nan 0.000 0.448 39 V N 2.064 121.945 119.914 -0.056 0.000 2.343 39 V HA -0.163 3.957 4.120 -0.000 0.000 0.247 39 V C 2.773 178.846 176.094 -0.035 0.000 1.051 39 V CA 1.786 64.061 62.300 -0.042 0.000 1.036 39 V CB -1.400 30.402 31.823 -0.035 0.000 0.654 39 V HN 0.594 nan 8.190 nan 0.000 0.451 40 A N -0.937 121.863 122.820 -0.033 0.000 1.972 40 A HA -0.295 4.025 4.320 -0.000 0.000 0.219 40 A C 2.419 179.990 177.584 -0.021 0.000 1.169 40 A CA 2.057 54.079 52.037 -0.025 0.000 0.635 40 A CB -1.127 17.859 19.000 -0.023 0.000 0.810 40 A HN 0.641 nan 8.150 nan 0.000 0.446 41 C N -1.095 118.190 119.300 -0.025 0.000 2.440 41 C HA -0.022 4.438 4.460 -0.000 0.000 0.278 41 C C 2.648 177.628 174.990 -0.016 0.000 1.295 41 C CA 1.246 60.255 59.018 -0.016 0.000 1.738 41 C CB -1.373 26.359 27.740 -0.014 0.000 1.987 41 C HN 0.404 nan 8.230 nan 0.000 0.492 42 V N 0.888 120.787 119.914 -0.026 0.000 2.295 42 V HA -0.204 3.916 4.120 -0.000 0.000 0.246 42 V C 2.466 178.546 176.094 -0.023 0.000 1.049 42 V CA 2.486 64.769 62.300 -0.028 0.000 1.024 42 V CB -0.812 30.989 31.823 -0.037 0.000 0.648 42 V HN 0.594 nan 8.190 nan 0.000 0.447 43 E N -0.498 119.689 120.200 -0.022 0.000 2.153 43 E HA -0.283 4.067 4.350 -0.000 0.000 0.194 43 E C 2.275 178.867 176.600 -0.014 0.000 0.988 43 E CA 1.257 57.646 56.400 -0.019 0.000 0.811 43 E CB -0.108 29.582 29.700 -0.018 0.000 0.746 43 E HN 0.620 nan 8.360 nan 0.000 0.466 44 Q N 0.497 120.291 119.800 -0.011 0.000 2.123 44 Q HA -0.136 4.204 4.340 -0.000 0.000 0.199 44 Q C 2.166 178.163 176.000 -0.004 0.000 0.966 44 Q CA 0.831 56.631 55.803 -0.006 0.000 0.845 44 Q CB 0.085 28.821 28.738 -0.003 0.000 0.907 44 Q HN 0.307 nan 8.270 nan 0.000 0.439 45 I N 0.453 121.020 120.570 -0.005 0.000 2.179 45 I HA -0.324 3.846 4.170 -0.000 0.000 0.242 45 I C 2.189 178.302 176.117 -0.007 0.000 1.088 45 I CA 1.129 62.428 61.300 -0.003 0.000 1.357 45 I CB -0.195 37.803 38.000 -0.003 0.000 1.051 45 I HN 0.253 nan 8.210 nan 0.000 0.409 46 I N 0.583 121.145 120.570 -0.014 0.000 2.226 46 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 46 I C 2.715 178.824 176.117 -0.012 0.000 1.100 46 I CA 1.417 62.707 61.300 -0.018 0.000 1.374 46 I CB -0.396 37.590 38.000 -0.024 0.000 1.057 46 I HN 0.194 nan 8.210 nan 0.000 0.413 47 A N 0.065 122.879 122.820 -0.009 0.000 1.930 47 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 47 A C 2.000 179.582 177.584 -0.003 0.000 1.175 47 A CA 1.306 53.339 52.037 -0.006 0.000 0.627 47 A CB -0.465 18.532 19.000 -0.005 0.000 0.815 47 A HN 0.444 nan 8.150 nan 0.000 0.443 48 E N -0.046 120.153 120.200 -0.002 0.000 2.463 48 E HA 0.007 4.357 4.350 -0.000 0.000 0.191 48 E C -0.507 176.094 176.600 0.000 0.000 1.083 48 E CA 0.020 56.420 56.400 0.000 0.000 0.872 48 E CB -0.040 29.662 29.700 0.003 0.000 0.966 48 E HN 0.377 nan 8.360 nan 0.000 0.491 49 D N 1.398 121.797 120.400 -0.003 0.000 2.737 49 D HA -0.200 4.439 4.640 -0.000 0.000 0.233 49 D C -0.360 175.939 176.300 -0.001 0.000 1.155 49 D CA 0.958 54.956 54.000 -0.004 0.000 0.667 49 D CB -0.637 40.161 40.800 -0.003 0.000 1.060 49 D HN 0.319 nan 8.370 nan 0.000 0.427 50 R N -0.510 119.990 120.500 0.001 0.000 2.615 50 R HA 0.414 4.754 4.340 -0.000 0.000 0.270 50 R C 0.472 176.776 176.300 0.006 0.000 1.081 50 R CA -0.074 56.030 56.100 0.007 0.000 1.154 50 R CB 0.712 31.019 30.300 0.011 0.000 1.063 50 R HN -0.126 nan 8.270 nan 0.000 0.519 51 T N 1.088 115.650 114.554 0.014 0.000 2.758 51 T HA 0.493 4.843 4.350 -0.000 0.000 0.285 51 T C -0.770 173.952 174.700 0.037 0.000 0.981 51 T CA -0.497 61.614 62.100 0.019 0.000 0.965 51 T CB 1.382 70.263 68.868 0.022 0.000 0.927 51 T HN 0.644 nan 8.240 nan 0.000 0.448 52 A N 3.655 126.495 122.820 0.034 0.000 2.375 52 A HA 0.547 4.867 4.320 -0.000 0.000 0.291 52 A C -0.833 176.793 177.584 0.071 0.000 1.160 52 A CA -0.762 51.309 52.037 0.056 0.000 0.747 52 A CB 0.460 19.477 19.000 0.029 0.000 1.170 52 A HN 0.850 nan 8.150 nan 0.000 0.458 53 Y N 2.456 122.766 120.300 0.017 0.000 2.620 53 Y HA 0.339 4.889 4.550 0.001 0.000 0.330 53 Y C 1.356 177.280 175.900 0.039 0.000 1.186 53 Y CA 1.741 59.860 58.100 0.031 0.000 1.467 53 Y CB 0.547 39.036 38.460 0.048 0.000 1.262 53 Y HN 1.676 nan 8.280 nan 0.000 0.550 54 G N 4.539 112.881 108.800 -0.763 0.000 2.268 54 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.240 54 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.240 54 G C 0.518 175.274 174.900 -0.239 0.000 1.010 54 G CA 0.424 45.200 45.100 -0.541 0.000 0.618 54 G HN 0.555 nan 8.290 nan 0.000 0.516 55 I N 1.160 121.631 120.570 -0.165 0.000 3.196 55 I HA 0.201 4.371 4.170 -0.000 0.000 0.248 55 I C 1.694 177.747 176.117 -0.108 0.000 1.105 55 I CA 1.885 63.121 61.300 -0.106 0.000 1.482 55 I CB -0.818 37.145 38.000 -0.062 0.000 1.400 55 I HN 0.455 nan 8.210 nan 0.000 0.464 56 N N 0.674 119.318 118.700 -0.094 0.000 2.194 56 N HA 0.013 4.753 4.740 -0.000 0.000 0.231 56 N C 0.087 175.532 175.510 -0.108 0.000 1.247 56 N CA -0.078 52.914 53.050 -0.098 0.000 0.884 56 N CB -0.237 38.211 38.487 -0.065 0.000 1.146 56 N HN 0.250 nan 8.380 nan 0.000 0.516 57 T N -2.927 111.563 114.554 -0.107 0.000 2.922 57 T HA 0.728 5.078 4.350 -0.000 0.000 0.285 57 T C 0.990 175.548 174.700 -0.238 0.000 1.005 57 T CA -0.341 61.711 62.100 -0.081 0.000 1.061 57 T CB 1.888 70.810 68.868 0.090 0.000 1.007 57 T HN 0.153 nan 8.240 nan 0.000 0.502 58 G N 0.592 109.249 108.800 -0.239 0.000 2.735 58 G HA2 0.540 4.500 3.960 -0.000 0.000 0.192 58 G HA3 0.540 4.500 3.960 -0.000 0.000 0.192 58 G C -0.980 173.641 174.900 -0.464 0.000 1.547 58 G CA -0.654 44.158 45.100 -0.480 0.000 1.080 58 G HN 0.584 nan 8.290 nan 0.000 0.569 59 F N -1.671 118.321 119.950 0.070 0.000 2.593 59 F HA 0.623 5.149 4.527 -0.000 0.000 0.320 59 F C 1.165 177.009 175.800 0.072 0.000 1.060 59 F CA -0.356 57.705 58.000 0.101 0.000 0.940 59 F CB 1.161 40.212 39.000 0.086 0.000 1.268 59 F HN 0.956 nan 8.300 nan 0.000 0.475 60 G N 1.510 110.485 108.800 0.292 0.000 2.752 60 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.349 60 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.349 60 G C 1.236 176.197 174.900 0.102 0.000 1.181 60 G CA 0.723 45.913 45.100 0.149 0.000 0.949 60 G HN 0.627 nan 8.290 nan 0.000 0.562 61 L N -0.359 120.912 121.223 0.080 0.000 2.187 61 L HA -0.032 4.308 4.340 -0.000 0.000 0.213 61 L C 2.709 179.606 176.870 0.046 0.000 1.100 61 L CA 1.199 56.069 54.840 0.051 0.000 0.765 61 L CB -0.555 41.528 42.059 0.039 0.000 0.904 61 L HN 0.349 nan 8.230 nan 0.000 0.437 62 L N -0.882 120.376 121.223 0.058 0.000 2.607 62 L HA 0.187 4.527 4.340 -0.000 0.000 0.228 62 L C 2.428 179.333 176.870 0.059 0.000 1.123 62 L CA 0.636 55.492 54.840 0.027 0.000 0.890 62 L CB -0.771 41.272 42.059 -0.027 0.000 1.103 62 L HN 0.013 nan 8.230 nan 0.000 0.468 63 A N -0.430 122.469 122.820 0.132 0.000 1.986 63 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 63 A C 1.906 179.599 177.584 0.181 0.000 1.171 63 A CA 1.984 54.160 52.037 0.232 0.000 0.640 63 A CB -0.462 18.642 19.000 0.174 0.000 0.811 63 A HN 0.461 nan 8.150 nan 0.000 0.451 64 S N -1.163 114.586 115.700 0.082 0.000 2.588 64 S HA 0.357 4.827 4.470 -0.000 0.000 0.245 64 S C -0.049 174.574 174.600 0.038 0.000 1.021 64 S CA -0.223 58.011 58.200 0.057 0.000 1.006 64 S CB 0.174 63.388 63.200 0.023 0.000 0.830 64 S HN 0.213 nan 8.310 nan 0.000 0.468 65 T N 2.397 116.969 114.554 0.031 0.000 2.881 65 T HA 0.387 4.737 4.350 -0.000 0.000 0.291 65 T C -0.165 174.521 174.700 -0.023 0.000 0.990 65 T CA -0.610 61.491 62.100 0.002 0.000 0.976 65 T CB 1.596 70.461 68.868 -0.005 0.000 0.970 65 T HN 0.281 nan 8.240 nan 0.000 0.438 66 R N 2.434 122.920 120.500 -0.025 0.000 2.697 66 R HA 0.182 4.522 4.340 -0.000 0.000 0.265 66 R C -0.375 175.879 176.300 -0.077 0.000 1.009 66 R CA 0.125 56.197 56.100 -0.047 0.000 1.099 66 R CB 0.242 30.521 30.300 -0.035 0.000 0.965 66 R HN 0.396 nan 8.270 nan 0.000 0.428 67 I N 2.336 122.840 120.570 -0.111 0.000 2.474 67 I HA 0.245 4.415 4.170 -0.000 0.000 0.294 67 I C 0.236 176.242 176.117 -0.184 0.000 1.005 67 I CA -1.112 60.097 61.300 -0.151 0.000 1.113 67 I CB 1.242 39.128 38.000 -0.190 0.000 1.289 67 I HN 0.710 nan 8.210 nan 0.000 0.436 68 A N 4.133 126.801 122.820 -0.253 0.000 2.566 68 A HA 0.121 4.441 4.320 -0.000 0.000 0.245 68 A C 1.424 178.727 177.584 -0.468 0.000 1.056 68 A CA 0.325 52.113 52.037 -0.415 0.000 0.757 68 A CB -0.080 18.476 19.000 -0.740 0.000 0.979 68 A HN 0.838 nan 8.150 nan 0.000 0.508 69 S N 1.715 117.266 115.700 -0.247 0.000 2.392 69 S HA -0.279 4.191 4.470 -0.000 0.000 0.232 69 S C 1.561 176.107 174.600 -0.091 0.000 1.041 69 S CA 2.384 60.515 58.200 -0.115 0.000 1.026 69 S CB -0.797 62.399 63.200 -0.008 0.000 0.845 69 S HN 1.019 nan 8.310 nan 0.000 0.465 70 H N 1.236 120.288 119.070 -0.030 0.000 2.352 70 H HA -0.021 4.535 4.556 0.000 0.000 0.299 70 H C 1.506 176.815 175.328 -0.031 0.000 1.097 70 H CA 1.322 57.354 56.048 -0.026 0.000 1.311 70 H CB -0.442 29.308 29.762 -0.021 0.000 1.377 70 H HN 0.267 nan 8.280 nan 0.000 0.504 71 D N 0.758 121.028 120.400 -0.217 0.000 2.183 71 D HA -0.093 4.547 4.640 -0.000 0.000 0.203 71 D C 2.093 178.316 176.300 -0.128 0.000 0.969 71 D CA 0.361 54.272 54.000 -0.149 0.000 0.842 71 D CB -0.290 40.384 40.800 -0.210 0.000 0.957 71 D HN 0.201 nan 8.370 nan 0.000 0.484 72 L N 1.435 122.568 121.223 -0.150 0.000 2.043 72 L HA -0.182 4.158 4.340 -0.000 0.000 0.212 72 L C 2.151 178.970 176.870 -0.085 0.000 1.075 72 L CA 1.759 56.523 54.840 -0.127 0.000 0.752 72 L CB -0.675 41.315 42.059 -0.115 0.000 0.891 72 L HN 0.081 nan 8.230 nan 0.000 0.432 73 E N -1.182 118.985 120.200 -0.054 0.000 2.072 73 E HA -0.209 4.141 4.350 -0.000 0.000 0.191 73 E C 1.855 178.439 176.600 -0.027 0.000 0.985 73 E CA 1.223 57.604 56.400 -0.032 0.000 0.801 73 E CB -0.152 29.541 29.700 -0.012 0.000 0.750 73 E HN 0.634 nan 8.360 nan 0.000 0.452 74 N N 0.670 119.356 118.700 -0.024 0.000 2.166 74 N HA -0.155 4.585 4.740 -0.000 0.000 0.186 74 N C 2.032 177.531 175.510 -0.017 0.000 1.019 74 N CA 0.794 53.836 53.050 -0.013 0.000 0.856 74 N CB -0.168 38.318 38.487 -0.002 0.000 0.993 74 N HN 0.165 nan 8.380 nan 0.000 0.426 75 L N 2.444 123.641 121.223 -0.043 0.000 2.043 75 L HA -0.207 4.132 4.340 -0.000 0.000 0.212 75 L C 2.265 179.130 176.870 -0.007 0.000 1.075 75 L CA 1.675 56.490 54.840 -0.040 0.000 0.752 75 L CB -0.758 41.218 42.059 -0.139 0.000 0.891 75 L HN 0.129 nan 8.230 nan 0.000 0.432 76 Q N -0.534 119.249 119.800 -0.028 0.000 2.050 76 Q HA -0.255 4.085 4.340 -0.000 0.000 0.202 76 Q C 2.390 178.376 176.000 -0.023 0.000 0.980 76 Q CA 1.986 57.772 55.803 -0.027 0.000 0.840 76 Q CB -0.578 28.140 28.738 -0.033 0.000 0.898 76 Q HN 0.576 nan 8.270 nan 0.000 0.424 77 R N 0.517 121.008 120.500 -0.014 0.000 2.073 77 R HA -0.081 4.259 4.340 -0.000 0.000 0.234 77 R C 2.372 178.671 176.300 -0.001 0.000 1.134 77 R CA 1.664 57.759 56.100 -0.009 0.000 0.952 77 R CB -0.066 30.232 30.300 -0.004 0.000 0.850 77 R HN 0.111 nan 8.270 nan 0.000 0.433 78 S N 0.848 116.557 115.700 0.016 0.000 2.400 78 S HA -0.135 4.335 4.470 -0.000 0.000 0.232 78 S C 1.694 176.324 174.600 0.050 0.000 1.025 78 S CA 0.956 59.181 58.200 0.042 0.000 0.993 78 S CB -0.246 62.994 63.200 0.066 0.000 0.808 78 S HN 0.199 nan 8.310 nan 0.000 0.478 79 L N 1.407 122.634 121.223 0.007 0.000 1.994 79 L HA -0.045 4.295 4.340 -0.000 0.000 0.208 79 L C 2.319 179.084 176.870 -0.175 0.000 1.071 79 L CA 1.487 56.235 54.840 -0.152 0.000 0.745 79 L CB -0.840 41.093 42.059 -0.211 0.000 0.892 79 L HN 0.132 nan 8.230 nan 0.000 0.431 80 V N -0.621 119.235 119.914 -0.097 0.000 2.261 80 V HA -0.318 3.802 4.120 -0.000 0.000 0.246 80 V C 2.485 178.567 176.094 -0.019 0.000 1.047 80 V CA 1.917 64.183 62.300 -0.057 0.000 1.015 80 V CB -0.529 31.268 31.823 -0.043 0.000 0.642 80 V HN 0.364 nan 8.190 nan 0.000 0.446 81 L N 0.803 122.020 121.223 -0.011 0.000 2.012 81 L HA -0.189 4.151 4.340 -0.000 0.000 0.210 81 L C 2.736 179.612 176.870 0.011 0.000 1.073 81 L CA 2.103 56.934 54.840 -0.014 0.000 0.748 81 L CB -0.739 41.318 42.059 -0.003 0.000 0.891 81 L HN 0.576 nan 8.230 nan 0.000 0.431 82 S N -1.818 113.929 115.700 0.080 0.000 2.428 82 S HA -0.180 4.290 4.470 -0.000 0.000 0.230 82 S C 1.743 176.409 174.600 0.110 0.000 1.014 82 S CA 0.840 59.102 58.200 0.104 0.000 0.957 82 S CB -0.485 62.807 63.200 0.153 0.000 0.784 82 S HN 0.447 nan 8.310 nan 0.000 0.499 83 H N 1.777 120.815 119.070 -0.053 0.000 2.535 83 H HA 0.510 5.066 4.556 -0.000 0.000 0.273 83 H C 1.252 176.542 175.328 -0.062 0.000 0.983 83 H CA 0.199 56.218 56.048 -0.048 0.000 1.238 83 H CB -0.318 29.418 29.762 -0.042 0.000 1.412 83 H HN 0.554 nan 8.280 nan 0.000 0.562 84 A N 0.898 123.685 122.820 -0.054 0.000 3.026 84 A HA 0.498 4.817 4.320 -0.000 0.000 0.272 84 A C 0.839 178.321 177.584 -0.171 0.000 1.782 84 A CA 0.490 52.294 52.037 -0.389 0.000 1.451 84 A CB -0.991 17.625 19.000 -0.640 0.000 1.081 84 A HN 0.383 nan 8.150 nan 0.000 0.611 85 A N 1.188 124.073 122.820 0.109 0.000 2.749 85 A HA 0.586 4.906 4.320 -0.000 0.000 0.299 85 A C 0.889 178.597 177.584 0.207 0.000 1.105 85 A CA 0.291 52.412 52.037 0.140 0.000 0.987 85 A CB -0.294 18.723 19.000 0.028 0.000 1.180 85 A HN 0.924 nan 8.150 nan 0.000 0.528 86 G N 0.432 109.483 108.800 0.420 0.000 2.547 86 G HA2 0.644 4.604 3.960 -0.000 0.000 0.291 86 G HA3 0.644 4.604 3.960 -0.000 0.000 0.291 86 G C -0.024 174.899 174.900 0.038 0.000 1.211 86 G CA -0.255 44.919 45.100 0.125 0.000 0.950 86 G HN 0.836 nan 8.290 nan 0.000 0.504 87 I N -3.238 117.328 120.570 -0.006 0.000 3.093 87 I HA 0.825 4.995 4.170 -0.000 0.000 0.308 87 I C 0.245 176.366 176.117 0.006 0.000 1.303 87 I CA -0.479 60.827 61.300 0.009 0.000 0.975 87 I CB 1.575 39.588 38.000 0.022 0.000 1.286 87 I HN 1.558 nan 8.210 nan 0.000 0.459 88 G N 1.837 110.651 108.800 0.022 0.000 2.566 88 G HA2 0.365 4.324 3.960 -0.000 0.000 0.599 88 G HA3 0.365 4.324 3.960 -0.000 0.000 0.599 88 G C -0.406 174.523 174.900 0.050 0.000 1.292 88 G CA -0.211 44.908 45.100 0.031 0.000 0.922 88 G HN 1.733 nan 8.290 nan 0.000 0.514 89 A N 0.793 123.648 122.820 0.059 0.000 2.483 89 A HA 0.622 4.942 4.320 -0.000 0.000 0.238 89 A C -1.628 175.999 177.584 0.071 0.000 1.070 89 A CA 0.166 52.253 52.037 0.084 0.000 0.770 89 A CB -0.370 18.681 19.000 0.085 0.000 1.008 89 A HN 0.666 nan 8.150 nan 0.000 0.497 90 P HA 0.198 nan 4.420 nan 0.000 0.268 90 P C -0.361 176.968 177.300 0.049 0.000 1.204 90 P CA 0.050 63.177 63.100 0.045 0.000 0.768 90 P CB 0.319 32.220 31.700 0.335 0.000 0.842 91 L N 2.525 123.745 121.223 -0.004 0.000 2.483 91 L HA 0.091 4.431 4.340 -0.000 0.000 0.275 91 L C 1.140 178.011 176.870 0.001 0.000 1.220 91 L CA -0.128 54.719 54.840 0.012 0.000 0.833 91 L CB -0.097 41.987 42.059 0.042 0.000 1.102 91 L HN 0.474 nan 8.230 nan 0.000 0.490 92 D N -0.660 119.694 120.400 -0.076 0.000 2.383 92 D HA 0.036 4.676 4.640 -0.000 0.000 0.248 92 D C 0.378 176.575 176.300 -0.172 0.000 1.170 92 D CA -0.546 53.389 54.000 -0.107 0.000 0.977 92 D CB 0.641 41.354 40.800 -0.144 0.000 1.120 92 D HN 0.361 nan 8.370 nan 0.000 0.481 93 D N -0.265 119.980 120.400 -0.259 0.000 2.123 93 D HA -0.158 4.482 4.640 -0.000 0.000 0.196 93 D C 1.262 177.188 176.300 -0.623 0.000 0.992 93 D CA 1.142 54.825 54.000 -0.530 0.000 0.833 93 D CB -0.246 40.185 40.800 -0.615 0.000 0.954 93 D HN 0.443 nan 8.370 nan 0.000 0.455 94 D N 0.042 120.181 120.400 -0.436 0.000 2.149 94 D HA -0.135 4.505 4.640 -0.000 0.000 0.198 94 D C 2.113 178.272 176.300 -0.235 0.000 0.990 94 D CA 0.394 54.172 54.000 -0.369 0.000 0.839 94 D CB -0.247 40.310 40.800 -0.405 0.000 0.948 94 D HN 0.151 nan 8.370 nan 0.000 0.460 95 L N 0.300 121.411 121.223 -0.187 0.000 2.179 95 L HA -0.061 4.279 4.340 -0.000 0.000 0.208 95 L C 2.191 179.069 176.870 0.012 0.000 1.096 95 L CA 0.915 55.727 54.840 -0.048 0.000 0.779 95 L CB -0.185 41.821 42.059 -0.089 0.000 0.922 95 L HN -0.146 nan 8.230 nan 0.000 0.443 96 V N -0.228 119.664 119.914 -0.036 0.000 2.343 96 V HA -0.289 3.830 4.120 -0.000 0.000 0.247 96 V C 2.726 178.880 176.094 0.100 0.000 1.051 96 V CA 2.022 64.357 62.300 0.058 0.000 1.036 96 V CB -0.736 31.143 31.823 0.094 0.000 0.654 96 V HN 0.488 nan 8.190 nan 0.000 0.451 97 R N -0.269 120.236 120.500 0.007 0.000 2.083 97 R HA -0.208 4.132 4.340 -0.000 0.000 0.237 97 R C 2.296 178.666 176.300 0.116 0.000 1.137 97 R CA 1.949 58.132 56.100 0.138 0.000 0.951 97 R CB -0.446 29.890 30.300 0.059 0.000 0.851 97 R HN 0.420 nan 8.270 nan 0.000 0.434 98 L N 1.104 122.379 121.223 0.087 0.000 2.012 98 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 98 L C 2.025 178.961 176.870 0.110 0.000 1.073 98 L CA 1.741 56.653 54.840 0.119 0.000 0.748 98 L CB -0.407 41.750 42.059 0.163 0.000 0.891 98 L HN 0.286 nan 8.230 nan 0.000 0.431 99 I N -1.327 119.309 120.570 0.111 0.000 2.226 99 I HA -0.350 3.820 4.170 -0.000 0.000 0.245 99 I C 2.479 178.650 176.117 0.091 0.000 1.100 99 I CA 1.614 62.972 61.300 0.096 0.000 1.374 99 I CB -0.289 37.772 38.000 0.102 0.000 1.057 99 I HN 0.294 nan 8.210 nan 0.000 0.413 100 M N -0.148 119.518 119.600 0.111 0.000 2.080 100 M HA -0.202 4.278 4.480 -0.000 0.000 0.260 100 M C 2.409 178.761 176.300 0.087 0.000 1.068 100 M CA 1.651 57.014 55.300 0.106 0.000 1.109 100 M CB -0.555 32.127 32.600 0.138 0.000 1.342 100 M HN 0.098 nan 8.290 nan 0.000 0.405 101 V N 0.741 120.711 119.914 0.093 0.000 2.490 101 V HA -0.227 3.893 4.120 -0.000 0.000 0.250 101 V C 2.304 178.438 176.094 0.067 0.000 1.061 101 V CA 1.418 63.765 62.300 0.078 0.000 1.064 101 V CB -0.663 31.209 31.823 0.083 0.000 0.670 101 V HN 0.467 nan 8.190 nan 0.000 0.461 102 L N -0.034 121.230 121.223 0.069 0.000 2.046 102 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 102 L C 2.590 179.489 176.870 0.048 0.000 1.077 102 L CA 1.780 56.654 54.840 0.057 0.000 0.747 102 L CB -0.521 41.570 42.059 0.053 0.000 0.896 102 L HN 0.319 nan 8.230 nan 0.000 0.432 103 K N 1.002 121.432 120.400 0.049 0.000 2.103 103 K HA -0.104 4.216 4.320 -0.000 0.000 0.204 103 K C 1.824 178.450 176.600 0.042 0.000 1.052 103 K CA 1.289 57.602 56.287 0.042 0.000 0.945 103 K CB -0.257 32.269 32.500 0.043 0.000 0.722 103 K HN 0.139 nan 8.250 nan 0.000 0.443 104 I N 1.175 121.773 120.570 0.046 0.000 2.163 104 I HA -0.331 3.839 4.170 -0.000 0.000 0.243 104 I C 2.180 178.323 176.117 0.043 0.000 1.085 104 I CA 1.537 62.862 61.300 0.042 0.000 1.347 104 I CB -0.542 37.484 38.000 0.044 0.000 1.044 104 I HN 0.321 nan 8.210 nan 0.000 0.408 105 N N 0.274 119.003 118.700 0.047 0.000 2.036 105 N HA -0.237 4.503 4.740 -0.000 0.000 0.195 105 N C 2.000 177.543 175.510 0.055 0.000 1.037 105 N CA 2.088 55.168 53.050 0.050 0.000 0.855 105 N CB -0.246 38.271 38.487 0.050 0.000 1.033 105 N HN 0.225 nan 8.380 nan 0.000 0.423 106 S N -0.603 115.128 115.700 0.052 0.000 2.355 106 S HA 0.062 4.532 4.470 -0.000 0.000 0.222 106 S C 2.011 176.652 174.600 0.069 0.000 1.031 106 S CA 0.730 58.965 58.200 0.057 0.000 0.993 106 S CB -0.372 62.853 63.200 0.041 0.000 0.859 106 S HN 0.362 nan 8.310 nan 0.000 0.453 107 L N 1.092 122.346 121.223 0.052 0.000 2.079 107 L HA -0.056 4.284 4.340 -0.000 0.000 0.210 107 L C 2.357 179.255 176.870 0.046 0.000 1.081 107 L CA 1.186 56.053 54.840 0.044 0.000 0.752 107 L CB -0.494 41.581 42.059 0.028 0.000 0.896 107 L HN 0.273 nan 8.230 nan 0.000 0.433 108 S N -0.767 114.961 115.700 0.047 0.000 2.603 108 S HA -0.005 4.465 4.470 -0.000 0.000 0.229 108 S C 1.727 176.356 174.600 0.049 0.000 0.972 108 S CA 0.434 58.656 58.200 0.037 0.000 0.935 108 S CB -0.183 63.038 63.200 0.035 0.000 0.769 108 S HN 0.342 nan 8.310 nan 0.000 0.536 109 R N 0.468 121.026 120.500 0.098 0.000 2.297 109 R HA 0.131 4.471 4.340 -0.000 0.000 0.197 109 R C 1.303 177.637 176.300 0.058 0.000 0.943 109 R CA 0.456 56.652 56.100 0.161 0.000 1.038 109 R CB 0.038 30.516 30.300 0.297 0.000 0.957 109 R HN 0.391 nan 8.270 nan 0.000 0.484 110 G N 0.580 109.365 108.800 -0.025 0.000 2.212 110 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.255 110 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.255 110 G C 0.141 174.789 174.900 -0.420 0.000 1.062 110 G CA -0.176 44.798 45.100 -0.209 0.000 0.815 110 G HN 0.365 nan 8.290 nan 0.000 0.497 111 F N -0.027 119.889 119.950 -0.057 0.000 2.729 111 F HA 0.319 4.846 4.527 0.000 0.000 0.315 111 F C 1.800 177.496 175.800 -0.174 0.000 1.102 111 F CA 0.613 58.527 58.000 -0.144 0.000 1.204 111 F CB 1.039 39.950 39.000 -0.149 0.000 1.052 111 F HN 0.170 nan 8.300 nan 0.000 0.551 112 S N -0.698 115.014 115.700 0.020 0.000 2.512 112 S HA 0.279 4.749 4.470 -0.000 0.000 0.216 112 S C 1.749 176.325 174.600 -0.041 0.000 1.006 112 S CA 0.491 58.685 58.200 -0.010 0.000 0.915 112 S CB 0.477 63.683 63.200 0.009 0.000 0.824 112 S HN 0.463 nan 8.310 nan 0.000 0.497 113 G N 2.025 110.793 108.800 -0.054 0.000 2.179 113 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.257 113 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.257 113 G C 0.015 174.889 174.900 -0.042 0.000 1.010 113 G CA 0.424 45.491 45.100 -0.055 0.000 0.736 113 G HN 0.555 nan 8.290 nan 0.000 0.513 114 I N -0.275 120.275 120.570 -0.034 0.000 2.566 114 I HA 0.583 4.753 4.170 -0.000 0.000 0.303 114 I C 0.889 176.991 176.117 -0.025 0.000 0.983 114 I CA -1.479 59.805 61.300 -0.026 0.000 1.235 114 I CB 0.650 38.639 38.000 -0.018 0.000 1.386 114 I HN 0.131 nan 8.210 nan 0.000 0.494 115 R N 4.574 125.062 120.500 -0.022 0.000 2.489 115 R HA 0.070 4.410 4.340 -0.000 0.000 0.287 115 R C 1.034 177.326 176.300 -0.015 0.000 1.053 115 R CA -0.032 56.056 56.100 -0.019 0.000 1.036 115 R CB 0.472 30.762 30.300 -0.017 0.000 0.966 115 R HN 0.571 nan 8.270 nan 0.000 0.432 116 R N 2.733 123.223 120.500 -0.015 0.000 2.133 116 R HA -0.239 4.101 4.340 -0.000 0.000 0.247 116 R C 1.921 178.216 176.300 -0.007 0.000 1.151 116 R CA 1.892 57.986 56.100 -0.011 0.000 0.971 116 R CB -0.056 30.236 30.300 -0.012 0.000 0.866 116 R HN 0.498 nan 8.270 nan 0.000 0.447 117 K N 0.107 120.501 120.400 -0.009 0.000 2.152 117 K HA -0.128 4.192 4.320 -0.000 0.000 0.206 117 K C 1.542 178.139 176.600 -0.006 0.000 1.048 117 K CA 1.792 58.074 56.287 -0.008 0.000 0.933 117 K CB 0.075 32.569 32.500 -0.009 0.000 0.721 117 K HN 0.187 nan 8.250 nan 0.000 0.447 118 V N 1.524 121.435 119.914 -0.006 0.000 2.488 118 V HA -0.181 3.939 4.120 -0.000 0.000 0.246 118 V C 2.354 178.449 176.094 0.002 0.000 1.046 118 V CA 1.263 63.561 62.300 -0.003 0.000 1.053 118 V CB -0.340 31.480 31.823 -0.004 0.000 0.679 118 V HN 0.254 nan 8.190 nan 0.000 0.458 119 I N 0.471 121.042 120.570 0.003 0.000 2.226 119 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 119 I C 2.308 178.430 176.117 0.008 0.000 1.100 119 I CA 1.611 62.916 61.300 0.008 0.000 1.374 119 I CB -0.561 37.444 38.000 0.008 0.000 1.057 119 I HN 0.290 nan 8.210 nan 0.000 0.413 120 D N 1.198 121.599 120.400 0.003 0.000 2.149 120 D HA -0.167 4.473 4.640 -0.000 0.000 0.198 120 D C 2.264 178.564 176.300 -0.001 0.000 0.990 120 D CA 1.614 55.614 54.000 0.001 0.000 0.839 120 D CB -0.161 40.637 40.800 -0.003 0.000 0.948 120 D HN 0.378 nan 8.370 nan 0.000 0.460 121 A N 0.632 123.452 122.820 -0.001 0.000 1.877 121 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 121 A C 2.421 180.005 177.584 0.001 0.000 1.186 121 A CA 0.893 52.928 52.037 -0.003 0.000 0.620 121 A CB -0.789 18.209 19.000 -0.002 0.000 0.822 121 A HN 0.199 nan 8.150 nan 0.000 0.443 122 L N -0.639 120.591 121.223 0.011 0.000 2.012 122 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 122 L C 2.505 179.386 176.870 0.018 0.000 1.073 122 L CA 1.478 56.331 54.840 0.021 0.000 0.748 122 L CB -0.508 41.570 42.059 0.032 0.000 0.891 122 L HN 0.377 nan 8.230 nan 0.000 0.431 123 I N -0.279 120.300 120.570 0.015 0.000 2.264 123 I HA -0.313 3.857 4.170 -0.000 0.000 0.248 123 I C 2.735 178.853 176.117 0.001 0.000 1.111 123 I CA 1.169 62.478 61.300 0.014 0.000 1.382 123 I CB -0.425 37.583 38.000 0.013 0.000 1.060 123 I HN 0.229 nan 8.210 nan 0.000 0.418 124 A N 0.729 123.543 122.820 -0.009 0.000 1.933 124 A HA -0.141 4.179 4.320 -0.000 0.000 0.218 124 A C 2.281 179.838 177.584 -0.044 0.000 1.175 124 A CA 1.328 53.350 52.037 -0.024 0.000 0.628 124 A CB -0.722 18.262 19.000 -0.026 0.000 0.814 124 A HN 0.380 nan 8.150 nan 0.000 0.444 125 L N -0.754 120.444 121.223 -0.043 0.000 2.056 125 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 125 L C 2.541 179.340 176.870 -0.118 0.000 1.078 125 L CA 0.945 55.737 54.840 -0.080 0.000 0.749 125 L CB -0.612 41.419 42.059 -0.046 0.000 0.901 125 L HN 0.233 nan 8.230 nan 0.000 0.433 126 V N 0.349 120.236 119.914 -0.044 0.000 2.255 126 V HA -0.312 3.808 4.120 -0.000 0.000 0.247 126 V C 2.204 178.281 176.094 -0.028 0.000 1.051 126 V CA 2.053 64.348 62.300 -0.008 0.000 1.018 126 V CB -0.654 31.205 31.823 0.061 0.000 0.641 126 V HN 0.512 nan 8.190 nan 0.000 0.445 127 N N 0.307 118.997 118.700 -0.017 0.000 2.289 127 N HA -0.072 4.668 4.740 -0.000 0.000 0.184 127 N C 1.551 177.047 175.510 -0.022 0.000 1.016 127 N CA 1.453 54.499 53.050 -0.007 0.000 0.872 127 N CB -0.305 38.179 38.487 -0.005 0.000 0.973 127 N HN 0.530 nan 8.380 nan 0.000 0.433 128 A N 0.455 123.237 122.820 -0.063 0.000 2.251 128 A HA 0.066 4.386 4.320 -0.000 0.000 0.209 128 A C 0.261 177.811 177.584 -0.056 0.000 1.187 128 A CA -0.021 51.976 52.037 -0.066 0.000 0.823 128 A CB -0.180 18.743 19.000 -0.128 0.000 0.846 128 A HN 0.306 nan 8.150 nan 0.000 0.486 129 E N -0.998 119.096 120.200 -0.177 0.000 2.389 129 E HA -0.136 4.214 4.350 -0.000 0.000 0.243 129 E C -0.824 175.440 176.600 -0.559 0.000 1.154 129 E CA 0.450 56.616 56.400 -0.391 0.000 0.723 129 E CB -2.083 27.631 29.700 0.023 0.000 1.261 129 E HN 0.289 nan 8.360 nan 0.000 0.390 130 V N 1.653 121.209 119.914 -0.596 0.000 2.347 130 V HA 0.298 4.418 4.120 -0.000 0.000 0.280 130 V C -0.432 175.398 176.094 -0.439 0.000 1.021 130 V CA -0.371 61.715 62.300 -0.358 0.000 0.847 130 V CB 0.286 31.995 31.823 -0.189 0.000 0.990 130 V HN 0.160 nan 8.190 nan 0.000 0.444 131 Y N 5.827 126.207 120.300 0.134 0.000 2.388 131 Y HA 0.458 5.008 4.550 -0.000 0.000 0.328 131 Y C -2.271 173.765 175.900 0.226 0.000 0.963 131 Y CA -3.413 54.768 58.100 0.136 0.000 1.240 131 Y CB 1.259 39.771 38.460 0.086 0.000 1.118 131 Y HN 0.483 nan 8.280 nan 0.000 0.484 132 P HA -0.124 nan 4.420 nan 0.000 0.264 132 P C 0.021 177.571 177.300 0.416 0.000 1.179 132 P CA 0.437 63.735 63.100 0.331 0.000 0.763 132 P CB 0.383 32.221 31.700 0.231 0.000 0.806 133 H N 4.472 123.744 119.070 0.336 0.000 2.964 133 H HA 0.156 4.711 4.556 -0.000 0.000 0.328 133 H C -0.620 174.797 175.328 0.148 0.000 1.030 133 H CA 0.661 56.827 56.048 0.197 0.000 1.445 133 H CB 0.023 29.613 29.762 -0.287 0.000 1.449 133 H HN 0.279 nan 8.280 nan 0.000 0.581 134 I N 8.680 128.978 120.570 -0.453 0.000 2.500 134 I HA 0.209 4.379 4.170 -0.000 0.000 0.286 134 I C -2.473 173.334 176.117 -0.517 0.000 1.063 134 I CA -2.055 59.046 61.300 -0.332 0.000 1.062 134 I CB 2.548 40.533 38.000 -0.025 0.000 1.223 134 I HN 0.455 nan 8.210 nan 0.000 0.435 135 P HA 0.091 nan 4.420 nan 0.000 0.274 135 P C 0.500 177.752 177.300 -0.079 0.000 1.231 135 P CA -0.485 62.451 63.100 -0.274 0.000 0.790 135 P CB 1.775 33.326 31.700 -0.249 0.000 0.951 136 L N 1.559 122.787 121.223 0.008 0.000 2.056 136 L HA -0.014 4.326 4.340 -0.000 0.000 0.207 136 L C 0.826 177.773 176.870 0.128 0.000 1.078 136 L CA 1.988 56.890 54.840 0.102 0.000 0.749 136 L CB -0.585 41.513 42.059 0.065 0.000 0.901 136 L HN 0.336 nan 8.230 nan 0.000 0.433 137 K N -2.117 118.313 120.400 0.051 0.000 2.281 137 K HA 0.606 4.926 4.320 -0.000 0.000 0.242 137 K C 0.187 176.801 176.600 0.022 0.000 0.971 137 K CA -0.006 56.305 56.287 0.040 0.000 0.834 137 K CB 1.710 34.218 32.500 0.014 0.000 1.181 137 K HN 0.060 nan 8.250 nan 0.000 0.435 138 G N 0.227 109.034 108.800 0.013 0.000 3.514 138 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.197 138 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.197 138 G C -0.009 174.883 174.900 -0.014 0.000 1.098 138 G CA -0.274 44.829 45.100 0.005 0.000 0.884 138 G HN 0.523 nan 8.290 nan 0.000 0.433 139 S N 0.730 116.417 115.700 -0.022 0.000 2.564 139 S HA 0.416 4.886 4.470 -0.000 0.000 0.278 139 S C 1.499 176.056 174.600 -0.071 0.000 1.333 139 S CA 0.500 58.667 58.200 -0.054 0.000 1.048 139 S CB 1.446 64.594 63.200 -0.086 0.000 0.900 139 S HN 1.506 nan 8.310 nan 0.000 0.505 140 V N 1.909 121.772 119.914 -0.085 0.000 3.427 140 V HA 0.514 4.634 4.120 -0.000 0.000 0.305 140 V C 1.066 177.077 176.094 -0.140 0.000 1.412 140 V CA 0.187 62.425 62.300 -0.103 0.000 1.086 140 V CB -0.668 31.093 31.823 -0.103 0.000 0.964 140 V HN 1.369 nan 8.190 nan 0.000 0.439 141 G N 0.468 109.188 108.800 -0.134 0.000 2.350 141 G HA2 0.196 4.156 3.960 -0.000 0.000 0.298 141 G HA3 0.196 4.156 3.960 -0.000 0.000 0.298 141 G C 0.104 174.878 174.900 -0.210 0.000 1.037 141 G CA 0.537 45.550 45.100 -0.146 0.000 1.074 141 G HN 2.110 nan 8.290 nan 0.000 0.511 142 A N -0.635 122.072 122.820 -0.189 0.000 2.500 142 A HA 0.964 5.284 4.320 -0.000 0.000 0.291 142 A C 0.723 178.253 177.584 -0.091 0.000 1.048 142 A CA 1.058 52.959 52.037 -0.225 0.000 0.791 142 A CB 0.662 19.457 19.000 -0.341 0.000 1.309 142 A HN 2.098 nan 8.150 nan 0.000 0.397 143 S N 0.959 116.640 115.700 -0.031 0.000 1.630 143 S HA -0.020 4.450 4.470 -0.000 0.000 0.242 143 S C 1.320 175.924 174.600 0.007 0.000 0.845 143 S CA 2.508 60.714 58.200 0.009 0.000 1.337 143 S CB -1.541 61.665 63.200 0.010 0.000 1.633 143 S HN 3.153 nan 8.310 nan 0.000 0.521 144 G N 0.086 108.876 108.800 -0.017 0.000 2.343 144 G HA2 0.354 4.314 3.960 -0.000 0.000 0.289 144 G HA3 0.354 4.314 3.960 -0.000 0.000 0.289 144 G C -2.048 172.828 174.900 -0.039 0.000 1.295 144 G CA 0.057 45.145 45.100 -0.020 0.000 0.869 144 G HN 0.174 nan 8.290 nan 0.000 0.522 145 D N 1.710 122.085 120.400 -0.042 0.000 2.845 145 D HA 0.204 4.844 4.640 -0.000 0.000 0.235 145 D C 2.067 178.367 176.300 -0.001 0.000 1.158 145 D CA -0.134 53.834 54.000 -0.052 0.000 0.990 145 D CB 0.358 41.101 40.800 -0.094 0.000 1.094 145 D HN 0.330 nan 8.370 nan 0.000 0.486 146 L N 0.512 121.746 121.223 0.019 0.000 1.989 146 L HA -0.230 4.110 4.340 -0.000 0.000 0.211 146 L C 2.521 179.452 176.870 0.101 0.000 1.071 146 L CA 1.452 56.338 54.840 0.075 0.000 0.749 146 L CB -0.482 41.637 42.059 0.100 0.000 0.890 146 L HN 0.192 nan 8.230 nan 0.000 0.431 147 A N 0.440 123.314 122.820 0.089 0.000 1.855 147 A HA -0.093 4.227 4.320 -0.000 0.000 0.215 147 A C 0.057 177.804 177.584 0.271 0.000 1.191 147 A CA 1.682 53.822 52.037 0.173 0.000 0.613 147 A CB -1.864 17.228 19.000 0.152 0.000 0.829 147 A HN 0.317 nan 8.150 nan 0.000 0.442 148 P HA -0.119 nan 4.420 nan 0.000 0.217 148 P C 1.506 178.895 177.300 0.148 0.000 1.150 148 P CA 0.958 64.140 63.100 0.137 0.000 0.832 148 P CB -0.210 31.518 31.700 0.047 0.000 0.787 149 L N -0.852 120.430 121.223 0.098 0.000 2.141 149 L HA -0.073 4.267 4.340 -0.000 0.000 0.209 149 L C 2.733 179.658 176.870 0.092 0.000 1.094 149 L CA 1.254 56.144 54.840 0.083 0.000 0.763 149 L CB -1.090 40.997 42.059 0.047 0.000 0.908 149 L HN -0.059 nan 8.230 nan 0.000 0.437 150 A N -0.729 122.152 122.820 0.101 0.000 1.902 150 A HA -0.220 4.100 4.320 -0.000 0.000 0.217 150 A C 2.142 179.744 177.584 0.030 0.000 1.181 150 A CA 1.289 53.356 52.037 0.050 0.000 0.623 150 A CB -0.771 18.257 19.000 0.046 0.000 0.818 150 A HN 0.401 nan 8.150 nan 0.000 0.443 151 H N -1.147 117.969 119.070 0.076 0.000 2.319 151 H HA -0.160 4.396 4.556 -0.000 0.000 0.299 151 H C 2.169 177.555 175.328 0.097 0.000 1.092 151 H CA 1.932 58.037 56.048 0.095 0.000 1.302 151 H CB -0.318 29.513 29.762 0.115 0.000 1.373 151 H HN 0.575 nan 8.280 nan 0.000 0.497 152 M N 0.504 120.230 119.600 0.210 0.000 2.080 152 M HA -0.168 4.312 4.480 -0.000 0.000 0.260 152 M C 2.156 178.522 176.300 0.110 0.000 1.068 152 M CA 1.670 57.063 55.300 0.156 0.000 1.109 152 M CB 0.056 32.735 32.600 0.132 0.000 1.342 152 M HN 0.023 nan 8.290 nan 0.000 0.405 153 S N 1.163 116.910 115.700 0.078 0.000 2.423 153 S HA -0.060 4.409 4.470 -0.000 0.000 0.231 153 S C 1.734 176.354 174.600 0.033 0.000 1.014 153 S CA 0.909 59.135 58.200 0.045 0.000 0.965 153 S CB -0.458 62.755 63.200 0.023 0.000 0.785 153 S HN 0.493 nan 8.310 nan 0.000 0.495 154 L N 1.032 122.275 121.223 0.032 0.000 2.021 154 L HA -0.175 4.165 4.340 -0.000 0.000 0.215 154 L C 2.317 179.206 176.870 0.032 0.000 1.074 154 L CA 1.113 55.964 54.840 0.018 0.000 0.760 154 L CB -0.822 41.243 42.059 0.010 0.000 0.889 154 L HN 0.213 nan 8.230 nan 0.000 0.433 155 V N -0.012 119.937 119.914 0.057 0.000 2.392 155 V HA -0.302 3.818 4.120 -0.000 0.000 0.249 155 V C 2.378 178.493 176.094 0.034 0.000 1.059 155 V CA 1.707 64.040 62.300 0.056 0.000 1.051 155 V CB -0.454 31.419 31.823 0.085 0.000 0.658 155 V HN 0.373 nan 8.190 nan 0.000 0.455 156 L N -0.629 120.612 121.223 0.030 0.000 2.127 156 L HA -0.187 4.153 4.340 -0.000 0.000 0.211 156 L C 2.184 179.059 176.870 0.008 0.000 1.089 156 L CA 1.403 56.252 54.840 0.016 0.000 0.757 156 L CB -0.501 41.567 42.059 0.015 0.000 0.899 156 L HN 0.325 nan 8.230 nan 0.000 0.434 157 L N -0.494 120.734 121.223 0.008 0.000 2.554 157 L HA 0.106 4.446 4.340 -0.000 0.000 0.226 157 L C 1.471 178.344 176.870 0.004 0.000 1.137 157 L CA 0.626 55.468 54.840 0.003 0.000 0.863 157 L CB -0.608 41.450 42.059 -0.001 0.000 0.985 157 L HN 0.529 nan 8.230 nan 0.000 0.451 158 G N 0.155 108.960 108.800 0.009 0.000 2.136 158 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.242 158 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.242 158 G C 0.057 174.963 174.900 0.010 0.000 0.989 158 G CA -0.067 45.038 45.100 0.009 0.000 0.682 158 G HN 0.352 nan 8.290 nan 0.000 0.522 159 E N -0.578 119.629 120.200 0.011 0.000 2.316 159 E HA 0.694 5.044 4.350 -0.000 0.000 0.258 159 E C 1.003 177.612 176.600 0.015 0.000 0.952 159 E CA 0.169 56.572 56.400 0.005 0.000 0.818 159 E CB 1.204 30.901 29.700 -0.006 0.000 1.260 159 E HN 1.431 nan 8.360 nan 0.000 0.416 160 G N 1.176 109.977 108.800 0.000 0.000 2.539 160 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.256 160 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.256 160 G C -0.485 174.419 174.900 0.006 0.000 1.233 160 G CA 0.670 45.773 45.100 0.005 0.000 0.936 160 G HN 0.746 nan 8.290 nan 0.000 0.571 161 K N -1.370 119.053 120.400 0.038 0.000 2.578 161 K HA 0.827 5.147 4.320 -0.000 0.000 0.287 161 K C -0.752 176.004 176.600 0.260 0.000 1.010 161 K CA -0.414 55.924 56.287 0.085 0.000 0.889 161 K CB 1.594 34.062 32.500 -0.054 0.000 1.514 161 K HN 2.271 nan 8.250 nan 0.000 0.424 162 A N 1.111 124.182 122.820 0.418 0.000 2.572 162 A HA 0.656 4.976 4.320 -0.000 0.000 0.295 162 A C -1.548 176.393 177.584 0.596 0.000 1.072 162 A CA -0.881 51.475 52.037 0.533 0.000 0.691 162 A CB 1.962 21.130 19.000 0.280 0.000 1.291 162 A HN 0.730 nan 8.150 nan 0.000 0.404 163 R N 0.549 121.282 120.500 0.388 0.000 2.312 163 R HA 0.575 4.915 4.340 -0.000 0.000 0.311 163 R C -1.849 174.527 176.300 0.126 0.000 1.004 163 R CA -0.266 55.792 56.100 -0.069 0.000 0.902 163 R CB 0.865 30.774 30.300 -0.652 0.000 1.073 163 R HN 0.754 nan 8.270 nan 0.000 0.457 164 Y N 3.779 124.042 120.300 -0.062 0.000 2.354 164 Y HA 0.214 4.764 4.550 -0.000 0.000 0.330 164 Y C -0.763 175.105 175.900 -0.054 0.000 1.011 164 Y CA -1.067 57.007 58.100 -0.044 0.000 1.099 164 Y CB 1.298 39.737 38.460 -0.034 0.000 1.179 164 Y HN 0.738 nan 8.280 nan 0.000 0.442 165 K N 4.483 124.515 120.400 -0.612 0.000 3.069 165 K HA -0.232 4.088 4.320 -0.000 0.000 0.267 165 K C 0.840 177.279 176.600 -0.269 0.000 1.082 165 K CA 1.102 57.089 56.287 -0.501 0.000 0.782 165 K CB -1.783 30.337 32.500 -0.634 0.000 1.230 165 K HN 1.539 nan 8.250 nan 0.000 0.488 166 G N -0.347 108.316 108.800 -0.228 0.000 2.162 166 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.260 166 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.260 166 G C -0.145 174.587 174.900 -0.280 0.000 0.976 166 G CA 0.690 45.648 45.100 -0.237 0.000 0.655 166 G HN 0.336 nan 8.290 nan 0.000 0.533 167 Q N -1.099 118.556 119.800 -0.242 0.000 2.365 167 Q HA 0.490 4.830 4.340 -0.000 0.000 0.269 167 Q C -0.467 175.448 176.000 -0.142 0.000 1.061 167 Q CA -0.856 54.839 55.803 -0.180 0.000 0.816 167 Q CB 1.289 30.003 28.738 -0.040 0.000 1.325 167 Q HN 0.399 nan 8.270 nan 0.000 0.446 168 W N 2.552 123.900 121.300 0.081 0.000 2.253 168 W HA 0.329 4.989 4.660 -0.000 0.000 0.322 168 W C 0.123 176.691 176.519 0.082 0.000 1.342 168 W CA -0.196 57.203 57.345 0.089 0.000 1.218 168 W CB 0.540 30.042 29.460 0.070 0.000 1.205 168 W HN 0.295 nan 8.180 nan 0.000 0.551 169 L N 3.084 124.532 121.223 0.376 0.000 2.319 169 L HA 0.434 4.774 4.340 -0.000 0.000 0.267 169 L C 0.642 177.622 176.870 0.184 0.000 1.011 169 L CA -1.200 53.775 54.840 0.225 0.000 0.818 169 L CB 1.773 43.932 42.059 0.167 0.000 1.316 169 L HN 0.478 nan 8.230 nan 0.000 0.432 170 S N 0.432 116.200 115.700 0.113 0.000 2.576 170 S HA 0.154 4.624 4.470 -0.000 0.000 0.272 170 S C 1.050 175.692 174.600 0.069 0.000 1.352 170 S CA 0.046 58.289 58.200 0.073 0.000 1.021 170 S CB 1.360 64.587 63.200 0.046 0.000 0.887 170 S HN 0.727 nan 8.310 nan 0.000 0.542 171 A N 2.115 124.966 122.820 0.053 0.000 1.933 171 A HA -0.048 4.272 4.320 -0.000 0.000 0.218 171 A C 2.453 180.052 177.584 0.026 0.000 1.175 171 A CA 2.031 54.097 52.037 0.048 0.000 0.628 171 A CB -2.003 17.020 19.000 0.038 0.000 0.814 171 A HN 1.159 nan 8.150 nan 0.000 0.444 172 T N -1.410 113.155 114.554 0.018 0.000 2.746 172 T HA -0.169 4.181 4.350 -0.000 0.000 0.267 172 T C 1.610 176.309 174.700 -0.002 0.000 1.039 172 T CA 1.518 63.622 62.100 0.005 0.000 1.142 172 T CB -0.482 68.389 68.868 0.005 0.000 0.866 172 T HN 0.645 nan 8.240 nan 0.000 0.444 173 E N 1.809 122.014 120.200 0.007 0.000 2.051 173 E HA 0.001 4.351 4.350 -0.000 0.000 0.192 173 E C 2.704 179.285 176.600 -0.033 0.000 0.991 173 E CA 0.999 57.397 56.400 -0.003 0.000 0.799 173 E CB -0.416 29.297 29.700 0.022 0.000 0.748 173 E HN 0.655 nan 8.360 nan 0.000 0.449 174 A N 1.420 124.235 122.820 -0.008 0.000 1.877 174 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 174 A C 2.238 179.779 177.584 -0.071 0.000 1.186 174 A CA 1.151 53.167 52.037 -0.035 0.000 0.620 174 A CB -0.747 18.276 19.000 0.038 0.000 0.822 174 A HN 0.132 nan 8.150 nan 0.000 0.443 175 L N -0.828 120.372 121.223 -0.038 0.000 2.042 175 L HA -0.230 4.110 4.340 -0.000 0.000 0.210 175 L C 3.091 179.922 176.870 -0.065 0.000 1.076 175 L CA 1.153 55.967 54.840 -0.044 0.000 0.749 175 L CB -0.510 41.536 42.059 -0.022 0.000 0.893 175 L HN 0.461 nan 8.230 nan 0.000 0.432 176 A N -0.567 122.215 122.820 -0.063 0.000 1.969 176 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 176 A C 2.307 179.826 177.584 -0.108 0.000 1.169 176 A CA 1.458 53.454 52.037 -0.068 0.000 0.635 176 A CB -0.712 18.258 19.000 -0.050 0.000 0.810 176 A HN 0.208 nan 8.150 nan 0.000 0.445 177 V N -0.290 119.523 119.914 -0.169 0.000 2.392 177 V HA -0.248 3.872 4.120 -0.000 0.000 0.249 177 V C 2.742 178.703 176.094 -0.222 0.000 1.059 177 V CA 1.915 64.048 62.300 -0.278 0.000 1.051 177 V CB -0.963 30.525 31.823 -0.558 0.000 0.658 177 V HN 0.593 nan 8.190 nan 0.000 0.455 178 A N -0.720 121.997 122.820 -0.172 0.000 2.278 178 A HA 0.426 4.746 4.320 -0.000 0.000 0.212 178 A C 1.830 179.365 177.584 -0.081 0.000 1.213 178 A CA 0.834 52.797 52.037 -0.123 0.000 0.840 178 A CB -0.565 18.372 19.000 -0.105 0.000 0.866 178 A HN 1.247 nan 8.150 nan 0.000 0.489 179 G N -1.072 107.683 108.800 -0.076 0.000 2.176 179 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.252 179 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.252 179 G C -0.066 174.810 174.900 -0.040 0.000 1.024 179 G CA 0.600 45.669 45.100 -0.051 0.000 0.755 179 G HN 0.488 nan 8.290 nan 0.000 0.507 180 L N -1.168 120.029 121.223 -0.042 0.000 2.303 180 L HA 0.843 5.183 4.340 -0.000 0.000 0.266 180 L C 0.363 177.218 176.870 -0.025 0.000 1.011 180 L CA -1.119 53.703 54.840 -0.030 0.000 0.818 180 L CB 1.826 43.868 42.059 -0.029 0.000 1.326 180 L HN 0.140 nan 8.230 nan 0.000 0.435 181 E N 0.253 120.442 120.200 -0.018 0.000 2.277 181 E HA 0.411 4.761 4.350 -0.000 0.000 0.266 181 E C -2.469 174.125 176.600 -0.010 0.000 0.901 181 E CA -1.955 54.437 56.400 -0.014 0.000 0.782 181 E CB 2.077 31.770 29.700 -0.012 0.000 1.228 181 E HN 0.298 nan 8.360 nan 0.000 0.424 182 P HA -0.039 nan 4.420 nan 0.000 0.264 182 P C -0.862 176.435 177.300 -0.005 0.000 1.183 182 P CA 0.511 63.609 63.100 -0.004 0.000 0.763 182 P CB 0.380 32.078 31.700 -0.003 0.000 0.807 183 L N 2.512 123.732 121.223 -0.004 0.000 2.379 183 L HA 0.399 4.739 4.340 -0.000 0.000 0.269 183 L C 0.498 177.364 176.870 -0.006 0.000 1.084 183 L CA -0.157 54.680 54.840 -0.005 0.000 0.802 183 L CB 1.196 43.252 42.059 -0.005 0.000 1.175 183 L HN 0.292 nan 8.230 nan 0.000 0.448 184 T N 3.391 117.941 114.554 -0.007 0.000 2.786 184 T HA 0.489 4.839 4.350 -0.000 0.000 0.283 184 T C -0.179 174.514 174.700 -0.011 0.000 0.992 184 T CA -0.493 61.602 62.100 -0.008 0.000 0.954 184 T CB 0.885 69.749 68.868 -0.007 0.000 0.934 184 T HN 0.247 nan 8.240 nan 0.000 0.440 185 L N 2.497 123.711 121.223 -0.014 0.000 2.395 185 L HA 0.731 5.071 4.340 -0.000 0.000 0.269 185 L C 0.762 177.618 176.870 -0.023 0.000 1.133 185 L CA -0.709 54.119 54.840 -0.019 0.000 0.812 185 L CB 0.684 42.730 42.059 -0.022 0.000 1.125 185 L HN 0.677 nan 8.230 nan 0.000 0.452 186 A N 1.790 124.594 122.820 -0.027 0.000 2.284 186 A HA 0.819 5.139 4.320 -0.000 0.000 0.317 186 A C -0.075 177.484 177.584 -0.042 0.000 1.120 186 A CA -0.419 51.599 52.037 -0.032 0.000 0.900 186 A CB 0.747 19.731 19.000 -0.027 0.000 1.319 186 A HN 0.772 nan 8.150 nan 0.000 0.494 187 A N -0.445 122.346 122.820 -0.048 0.000 2.584 187 A HA 0.369 4.688 4.320 -0.000 0.000 0.239 187 A C 1.102 178.651 177.584 -0.060 0.000 1.043 187 A CA 1.449 53.450 52.037 -0.061 0.000 0.756 187 A CB -0.489 18.475 19.000 -0.060 0.000 0.963 187 A HN 2.038 nan 8.150 nan 0.000 0.511 188 K N 0.676 121.034 120.400 -0.070 0.000 3.612 188 K HA -0.236 4.084 4.320 -0.000 0.000 0.274 188 K C 0.821 177.388 176.600 -0.054 0.000 1.123 188 K CA 2.535 58.781 56.287 -0.069 0.000 1.059 188 K CB -1.936 30.524 32.500 -0.066 0.000 1.330 188 K HN 0.811 nan 8.250 nan 0.000 0.477 189 E N -0.605 119.567 120.200 -0.046 0.000 2.150 189 E HA -0.053 4.297 4.350 -0.000 0.000 0.193 189 E C 1.941 178.518 176.600 -0.038 0.000 0.985 189 E CA 1.017 57.395 56.400 -0.037 0.000 0.814 189 E CB -0.251 29.431 29.700 -0.031 0.000 0.752 189 E HN 0.588 nan 8.360 nan 0.000 0.466 190 G N 1.655 110.428 108.800 -0.045 0.000 2.421 190 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.216 190 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.216 190 G C 1.606 176.466 174.900 -0.066 0.000 1.171 190 G CA 0.377 45.442 45.100 -0.058 0.000 0.775 190 G HN 0.080 nan 8.290 nan 0.000 0.543 191 L N 0.644 121.831 121.223 -0.060 0.000 2.083 191 L HA -0.074 4.266 4.340 -0.000 0.000 0.209 191 L C 3.408 180.256 176.870 -0.036 0.000 1.083 191 L CA 1.059 55.866 54.840 -0.054 0.000 0.752 191 L CB -0.552 41.473 42.059 -0.057 0.000 0.899 191 L HN 0.338 nan 8.230 nan 0.000 0.433 192 A N 0.153 122.953 122.820 -0.034 0.000 1.933 192 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 192 A C 2.250 179.828 177.584 -0.010 0.000 1.175 192 A CA 1.372 53.397 52.037 -0.021 0.000 0.628 192 A CB -0.498 18.489 19.000 -0.021 0.000 0.814 192 A HN 0.360 nan 8.150 nan 0.000 0.444 193 L N -0.844 120.371 121.223 -0.014 0.000 2.095 193 L HA -0.037 4.303 4.340 -0.000 0.000 0.204 193 L C 2.286 179.157 176.870 0.002 0.000 1.080 193 L CA 0.764 55.602 54.840 -0.002 0.000 0.759 193 L CB -0.260 41.797 42.059 -0.004 0.000 0.914 193 L HN 0.350 nan 8.230 nan 0.000 0.439 194 L N -1.352 119.865 121.223 -0.011 0.000 2.307 194 L HA 0.047 4.387 4.340 -0.000 0.000 0.211 194 L C 0.566 177.445 176.870 0.014 0.000 1.099 194 L CA 0.168 55.011 54.840 0.006 0.000 0.816 194 L CB -0.508 41.544 42.059 -0.011 0.000 0.952 194 L HN 0.262 nan 8.230 nan 0.000 0.455 195 N N 0.232 118.934 118.700 0.004 0.000 2.503 195 N HA 0.439 5.179 4.740 -0.000 0.000 0.267 195 N C 0.180 175.693 175.510 0.005 0.000 1.214 195 N CA 0.491 53.546 53.050 0.008 0.000 0.959 195 N CB 0.954 39.445 38.487 0.006 0.000 1.142 195 N HN 0.182 nan 8.380 nan 0.000 0.455 196 G N -0.853 107.949 108.800 0.003 0.000 2.381 196 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.672 196 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.672 196 G C -0.123 174.769 174.900 -0.014 0.000 1.324 196 G CA -0.302 44.798 45.100 0.000 0.000 0.975 196 G HN 0.551 nan 8.290 nan 0.000 0.593 197 T N -2.665 111.879 114.554 -0.016 0.000 3.228 197 T HA 0.359 4.709 4.350 -0.000 0.000 0.278 197 T C 1.471 176.142 174.700 -0.049 0.000 1.014 197 T CA 0.648 62.726 62.100 -0.036 0.000 0.904 197 T CB 0.751 69.606 68.868 -0.021 0.000 1.110 197 T HN 0.457 nan 8.240 nan 0.000 0.541 198 Q N 1.514 121.293 119.800 -0.035 0.000 2.119 198 Q HA 0.228 4.568 4.340 -0.000 0.000 0.201 198 Q C 2.544 178.509 176.000 -0.059 0.000 0.972 198 Q CA 1.787 57.576 55.803 -0.024 0.000 0.847 198 Q CB -0.542 28.199 28.738 0.005 0.000 0.903 198 Q HN 0.733 nan 8.270 nan 0.000 0.433 199 A N -0.211 122.534 122.820 -0.125 0.000 1.872 199 A HA -0.152 4.168 4.320 -0.000 0.000 0.214 199 A C 2.260 179.547 177.584 -0.495 0.000 1.187 199 A CA 1.541 53.408 52.037 -0.283 0.000 0.614 199 A CB -0.720 18.076 19.000 -0.340 0.000 0.826 199 A HN 0.292 nan 8.150 nan 0.000 0.442 200 S N -0.164 115.313 115.700 -0.371 0.000 2.359 200 S HA -0.175 4.295 4.470 -0.000 0.000 0.223 200 S C 2.079 176.612 174.600 -0.112 0.000 1.039 200 S CA 2.065 60.105 58.200 -0.267 0.000 1.042 200 S CB -0.650 62.458 63.200 -0.153 0.000 0.915 200 S HN 0.716 nan 8.310 nan 0.000 0.439 201 T N 2.223 116.732 114.554 -0.076 0.000 2.708 201 T HA -0.025 4.325 4.350 -0.000 0.000 0.266 201 T C 2.145 176.845 174.700 -0.001 0.000 1.037 201 T CA 1.221 63.301 62.100 -0.033 0.000 1.146 201 T CB -0.556 68.298 68.868 -0.024 0.000 0.865 201 T HN 0.465 nan 8.240 nan 0.000 0.435 202 A N 0.788 123.628 122.820 0.034 0.000 1.902 202 A HA -0.110 4.210 4.320 -0.000 0.000 0.217 202 A C 2.082 179.814 177.584 0.247 0.000 1.181 202 A CA 1.371 53.477 52.037 0.114 0.000 0.623 202 A CB -0.973 18.126 19.000 0.164 0.000 0.818 202 A HN 0.490 nan 8.150 nan 0.000 0.443 203 Y N -0.284 120.084 120.300 0.113 0.000 2.181 203 Y HA -0.072 4.478 4.550 -0.000 0.000 0.288 203 Y C 2.925 178.933 175.900 0.179 0.000 1.146 203 Y CA 0.314 58.588 58.100 0.289 0.000 1.164 203 Y CB -1.196 37.384 38.460 0.199 0.000 0.982 203 Y HN 0.346 nan 8.280 nan 0.000 0.515 204 A N -0.421 122.502 122.820 0.171 0.000 1.968 204 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 204 A C 2.342 179.840 177.584 -0.144 0.000 1.169 204 A CA 0.894 52.941 52.037 0.017 0.000 0.638 204 A CB -0.948 18.039 19.000 -0.021 0.000 0.812 204 A HN 0.423 nan 8.150 nan 0.000 0.446 205 L N -0.798 120.283 121.223 -0.237 0.000 2.093 205 L HA -0.143 4.197 4.340 -0.000 0.000 0.208 205 L C 2.738 179.025 176.870 -0.973 0.000 1.085 205 L CA 1.615 56.076 54.840 -0.631 0.000 0.755 205 L CB -0.398 41.340 42.059 -0.534 0.000 0.904 205 L HN 0.509 nan 8.230 nan 0.000 0.435 206 R N 0.440 120.579 120.500 -0.601 0.000 2.081 206 R HA -0.144 4.196 4.340 -0.000 0.000 0.235 206 R C 2.197 178.093 176.300 -0.674 0.000 1.131 206 R CA 1.585 57.213 56.100 -0.787 0.000 0.960 206 R CB -0.570 29.344 30.300 -0.642 0.000 0.856 206 R HN 0.331 nan 8.270 nan 0.000 0.436 207 G N 1.464 110.140 108.800 -0.207 0.000 2.422 207 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.218 207 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.218 207 G C 1.330 176.186 174.900 -0.073 0.000 1.146 207 G CA 0.768 45.868 45.100 0.001 0.000 0.769 207 G HN 0.346 nan 8.290 nan 0.000 0.547 208 L N -0.252 120.820 121.223 -0.252 0.000 1.994 208 L HA 0.081 4.421 4.340 -0.000 0.000 0.208 208 L C 2.518 179.322 176.870 -0.110 0.000 1.071 208 L CA 1.696 56.397 54.840 -0.231 0.000 0.745 208 L CB -0.673 41.146 42.059 -0.401 0.000 0.892 208 L HN 0.155 nan 8.230 nan 0.000 0.431 209 F N -0.962 118.915 119.950 -0.122 0.000 2.134 209 F HA -0.210 4.317 4.527 0.000 0.000 0.299 209 F C 2.425 178.298 175.800 0.121 0.000 1.097 209 F CA 1.033 58.995 58.000 -0.065 0.000 1.264 209 F CB -1.578 37.309 39.000 -0.188 0.000 1.001 209 F HN 0.093 nan 8.300 nan 0.000 0.479 210 Y N 0.361 120.756 120.300 0.159 0.000 2.097 210 Y HA -0.210 4.340 4.550 -0.000 0.000 0.282 210 Y C 2.636 178.599 175.900 0.105 0.000 1.152 210 Y CA 0.582 58.758 58.100 0.126 0.000 1.136 210 Y CB -1.618 36.914 38.460 0.121 0.000 0.975 210 Y HN 0.044 nan 8.280 nan 0.000 0.498 211 A N 0.060 123.034 122.820 0.257 0.000 1.908 211 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 211 A C 2.195 179.879 177.584 0.168 0.000 1.181 211 A CA 1.892 54.033 52.037 0.173 0.000 0.627 211 A CB -0.735 18.331 19.000 0.109 0.000 0.818 211 A HN 0.548 nan 8.150 nan 0.000 0.445 212 E N -0.213 120.083 120.200 0.159 0.000 2.058 212 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 212 E C 1.629 178.331 176.600 0.170 0.000 0.997 212 E CA 1.242 57.730 56.400 0.147 0.000 0.801 212 E CB -0.267 29.520 29.700 0.145 0.000 0.746 212 E HN 0.542 nan 8.360 nan 0.000 0.450 213 D N 0.803 121.304 120.400 0.169 0.000 2.116 213 D HA -0.174 4.466 4.640 -0.000 0.000 0.193 213 D C 2.098 178.444 176.300 0.076 0.000 0.998 213 D CA 0.987 55.057 54.000 0.117 0.000 0.836 213 D CB -0.313 40.568 40.800 0.134 0.000 0.951 213 D HN 0.159 nan 8.370 nan 0.000 0.449 214 L N -0.483 120.799 121.223 0.097 0.000 2.093 214 L HA -0.177 4.163 4.340 -0.000 0.000 0.208 214 L C 2.441 179.344 176.870 0.056 0.000 1.085 214 L CA 0.852 55.727 54.840 0.058 0.000 0.755 214 L CB -0.563 41.543 42.059 0.078 0.000 0.904 214 L HN 0.063 nan 8.230 nan 0.000 0.435 215 Y N 1.101 121.397 120.300 -0.005 0.000 2.053 215 Y HA -0.373 4.177 4.550 -0.000 0.000 0.277 215 Y C 2.582 178.433 175.900 -0.081 0.000 1.159 215 Y CA 1.827 59.908 58.100 -0.030 0.000 1.125 215 Y CB -0.294 38.154 38.460 -0.020 0.000 0.969 215 Y HN 0.102 nan 8.280 nan 0.000 0.492 216 A N 0.459 123.324 122.820 0.075 0.000 1.908 216 A HA -0.162 4.158 4.320 -0.000 0.000 0.218 216 A C 2.394 179.855 177.584 -0.205 0.000 1.181 216 A CA 2.080 54.078 52.037 -0.064 0.000 0.627 216 A CB -1.592 17.414 19.000 0.010 0.000 0.818 216 A HN 0.667 nan 8.150 nan 0.000 0.445 217 A N -0.254 122.464 122.820 -0.170 0.000 1.933 217 A HA 0.174 4.494 4.320 -0.000 0.000 0.218 217 A C 2.469 179.897 177.584 -0.261 0.000 1.175 217 A CA 1.995 53.884 52.037 -0.248 0.000 0.628 217 A CB -0.927 17.941 19.000 -0.220 0.000 0.814 217 A HN 1.073 nan 8.150 nan 0.000 0.444 218 A N -0.032 122.651 122.820 -0.227 0.000 1.972 218 A HA -0.028 4.292 4.320 -0.000 0.000 0.219 218 A C 1.938 179.367 177.584 -0.260 0.000 1.169 218 A CA 1.525 53.444 52.037 -0.197 0.000 0.635 218 A CB -0.450 18.453 19.000 -0.161 0.000 0.810 218 A HN 0.407 nan 8.150 nan 0.000 0.446 219 I N 0.170 120.453 120.570 -0.478 0.000 2.179 219 I HA -0.227 3.943 4.170 -0.000 0.000 0.242 219 I C 2.917 178.811 176.117 -0.371 0.000 1.088 219 I CA 1.418 62.316 61.300 -0.671 0.000 1.357 219 I CB -1.770 35.713 38.000 -0.861 0.000 1.051 219 I HN 0.343 nan 8.210 nan 0.000 0.409 220 A N -0.027 122.611 122.820 -0.304 0.000 1.933 220 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 220 A C 2.590 180.086 177.584 -0.148 0.000 1.175 220 A CA 1.833 53.739 52.037 -0.218 0.000 0.628 220 A CB -1.148 17.690 19.000 -0.270 0.000 0.814 220 A HN 0.514 nan 8.150 nan 0.000 0.444 221 C N -1.141 118.059 119.300 -0.167 0.000 2.446 221 C HA 0.063 4.523 4.460 -0.000 0.000 0.277 221 C C 3.015 178.028 174.990 0.039 0.000 1.275 221 C CA 0.493 59.471 59.018 -0.067 0.000 1.727 221 C CB -1.545 26.155 27.740 -0.067 0.000 2.010 221 C HN 0.700 nan 8.230 nan 0.000 0.486 222 G N 0.486 109.334 108.800 0.080 0.000 2.440 222 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.218 222 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.218 222 G C 1.780 176.800 174.900 0.199 0.000 1.154 222 G CA 1.249 46.466 45.100 0.196 0.000 0.767 222 G HN 0.578 nan 8.290 nan 0.000 0.552 223 G N 0.799 109.717 108.800 0.197 0.000 2.402 223 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.216 223 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.216 223 G C 1.818 176.765 174.900 0.078 0.000 1.162 223 G CA 0.721 45.895 45.100 0.125 0.000 0.777 223 G HN 0.421 nan 8.290 nan 0.000 0.539 224 L N 0.760 122.026 121.223 0.071 0.000 2.017 224 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 224 L C 3.204 180.119 176.870 0.076 0.000 1.073 224 L CA 1.292 56.181 54.840 0.082 0.000 0.745 224 L CB -0.439 41.692 42.059 0.120 0.000 0.894 224 L HN 0.162 nan 8.230 nan 0.000 0.432 225 S N -0.566 115.181 115.700 0.079 0.000 2.382 225 S HA -0.156 4.314 4.470 -0.000 0.000 0.228 225 S C 2.053 176.683 174.600 0.050 0.000 1.027 225 S CA 1.188 59.424 58.200 0.060 0.000 0.991 225 S CB -0.249 62.990 63.200 0.066 0.000 0.823 225 S HN 0.160 nan 8.310 nan 0.000 0.469 226 V N 2.145 122.101 119.914 0.069 0.000 2.332 226 V HA -0.172 3.948 4.120 -0.000 0.000 0.248 226 V C 2.531 178.657 176.094 0.054 0.000 1.055 226 V CA 1.630 63.973 62.300 0.072 0.000 1.038 226 V CB -0.522 31.373 31.823 0.120 0.000 0.651 226 V HN 0.450 nan 8.190 nan 0.000 0.450 227 E N 0.156 120.390 120.200 0.057 0.000 2.072 227 E HA -0.156 4.194 4.350 -0.000 0.000 0.191 227 E C 2.374 178.984 176.600 0.016 0.000 0.985 227 E CA 1.402 57.831 56.400 0.048 0.000 0.801 227 E CB -0.431 29.304 29.700 0.057 0.000 0.750 227 E HN 0.576 nan 8.360 nan 0.000 0.452 228 A N 1.381 124.210 122.820 0.015 0.000 1.933 228 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 228 A C 2.281 179.841 177.584 -0.040 0.000 1.175 228 A CA 1.747 53.779 52.037 -0.008 0.000 0.628 228 A CB -0.401 18.595 19.000 -0.006 0.000 0.814 228 A HN 0.197 nan 8.150 nan 0.000 0.444 229 V N -3.838 116.051 119.914 -0.042 0.000 3.342 229 V HA 0.455 4.575 4.120 -0.000 0.000 0.322 229 V C 0.508 176.530 176.094 -0.120 0.000 1.370 229 V CA 0.091 62.349 62.300 -0.070 0.000 1.170 229 V CB -0.900 30.894 31.823 -0.048 0.000 1.101 229 V HN 0.434 nan 8.190 nan 0.000 0.442 230 L N 0.279 121.411 121.223 -0.151 0.000 3.608 230 L HA -0.150 4.190 4.340 -0.000 0.000 0.422 230 L C 1.038 177.803 176.870 -0.175 0.000 1.260 230 L CA 0.274 54.911 54.840 -0.338 0.000 0.889 230 L CB -1.930 39.708 42.059 -0.702 0.000 1.821 230 L HN 0.641 nan 8.230 nan 0.000 0.884 231 G N -0.346 108.442 108.800 -0.019 0.000 2.616 231 G HA2 0.413 4.373 3.960 -0.000 0.000 0.268 231 G HA3 0.413 4.373 3.960 -0.000 0.000 0.268 231 G C 0.175 175.143 174.900 0.115 0.000 1.213 231 G CA 0.471 45.596 45.100 0.042 0.000 0.926 231 G HN 0.172 nan 8.290 nan 0.000 0.523 232 S N -1.595 114.161 115.700 0.093 0.000 2.632 232 S HA 0.298 4.768 4.470 -0.000 0.000 0.271 232 S C 1.345 176.032 174.600 0.143 0.000 1.260 232 S CA -0.585 57.676 58.200 0.102 0.000 1.010 232 S CB 1.150 64.373 63.200 0.038 0.000 0.965 232 S HN 0.528 nan 8.310 nan 0.000 0.534 233 R N 1.262 121.867 120.500 0.174 0.000 2.265 233 R HA 0.124 4.463 4.340 -0.000 0.000 0.194 233 R C 2.257 178.676 176.300 0.199 0.000 0.931 233 R CA 0.598 56.890 56.100 0.321 0.000 1.032 233 R CB -0.159 30.290 30.300 0.248 0.000 0.980 233 R HN 0.594 nan 8.270 nan 0.000 0.497 234 S N 1.551 117.279 115.700 0.047 0.000 2.380 234 S HA -0.116 4.354 4.470 -0.000 0.000 0.229 234 S C -1.019 173.503 174.600 -0.130 0.000 1.043 234 S CA 1.392 59.581 58.200 -0.018 0.000 1.038 234 S CB -0.948 62.232 63.200 -0.033 0.000 0.872 234 S HN 0.223 nan 8.310 nan 0.000 0.456 235 P HA -0.064 nan 4.420 nan 0.000 0.222 235 P C 0.539 177.573 177.300 -0.444 0.000 1.142 235 P CA 0.946 63.749 63.100 -0.495 0.000 0.788 235 P CB -0.170 31.055 31.700 -0.791 0.000 0.767 236 F N -1.923 118.097 119.950 0.117 0.000 2.727 236 F HA 0.121 4.648 4.527 -0.000 0.000 0.302 236 F C 1.055 177.006 175.800 0.252 0.000 1.097 236 F CA -0.742 57.386 58.000 0.212 0.000 1.330 236 F CB -0.762 38.288 39.000 0.083 0.000 1.084 236 F HN -0.141 nan 8.300 nan 0.000 0.578 237 D N 1.492 122.026 120.400 0.223 0.000 2.520 237 D HA -0.022 4.618 4.640 -0.000 0.000 0.243 237 D C 1.471 177.866 176.300 0.158 0.000 1.160 237 D CA 0.527 54.609 54.000 0.137 0.000 0.877 237 D CB 1.339 42.153 40.800 0.024 0.000 1.150 237 D HN 0.263 nan 8.370 nan 0.000 0.494 238 A N 5.735 128.665 122.820 0.184 0.000 1.986 238 A HA -0.237 4.083 4.320 -0.000 0.000 0.220 238 A C 2.165 179.803 177.584 0.090 0.000 1.171 238 A CA 1.329 53.483 52.037 0.194 0.000 0.640 238 A CB -0.178 18.900 19.000 0.131 0.000 0.811 238 A HN 0.736 nan 8.150 nan 0.000 0.451 239 R N -0.665 119.845 120.500 0.017 0.000 2.120 239 R HA -0.023 4.317 4.340 -0.000 0.000 0.234 239 R C 1.871 178.115 176.300 -0.094 0.000 1.123 239 R CA 1.426 57.512 56.100 -0.023 0.000 0.975 239 R CB -0.456 29.829 30.300 -0.024 0.000 0.866 239 R HN 0.607 nan 8.270 nan 0.000 0.446 240 I N -0.045 120.387 120.570 -0.230 0.000 2.252 240 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 240 I C 2.053 177.945 176.117 -0.375 0.000 1.102 240 I CA 1.222 62.291 61.300 -0.385 0.000 1.385 240 I CB -0.336 37.287 38.000 -0.628 0.000 1.064 240 I HN 0.244 nan 8.210 nan 0.000 0.414 241 H N 0.146 119.226 119.070 0.017 0.000 2.403 241 H HA -0.008 4.548 4.556 -0.000 0.000 0.298 241 H C 2.036 177.379 175.328 0.025 0.000 1.059 241 H CA 0.695 56.759 56.048 0.027 0.000 1.363 241 H CB -0.173 29.623 29.762 0.056 0.000 1.410 241 H HN 0.289 nan 8.280 nan 0.000 0.528 242 E N 1.202 121.462 120.200 0.099 0.000 2.085 242 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 242 E C 2.338 178.953 176.600 0.026 0.000 0.994 242 E CA 1.029 57.463 56.400 0.057 0.000 0.801 242 E CB -0.120 29.604 29.700 0.040 0.000 0.743 242 E HN 0.423 nan 8.360 nan 0.000 0.453 243 A N 0.867 123.685 122.820 -0.003 0.000 2.015 243 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 243 A C 2.172 179.754 177.584 -0.004 0.000 1.163 243 A CA 1.336 53.365 52.037 -0.013 0.000 0.646 243 A CB -0.339 18.639 19.000 -0.037 0.000 0.806 243 A HN 0.087 nan 8.150 nan 0.000 0.448 244 R N -1.325 119.178 120.500 0.006 0.000 2.075 244 R HA 0.076 4.416 4.340 -0.000 0.000 0.226 244 R C 1.549 177.865 176.300 0.028 0.000 1.114 244 R CA 1.270 57.380 56.100 0.018 0.000 0.972 244 R CB -0.208 30.116 30.300 0.039 0.000 0.869 244 R HN 0.712 nan 8.270 nan 0.000 0.437 245 G N -0.092 108.733 108.800 0.042 0.000 2.175 245 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.244 245 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.244 245 G C -0.323 174.601 174.900 0.040 0.000 0.982 245 G CA -0.021 45.101 45.100 0.037 0.000 0.641 245 G HN 0.327 nan 8.290 nan 0.000 0.527 246 Q N 0.117 119.947 119.800 0.049 0.000 2.286 246 Q HA 0.393 4.733 4.340 -0.000 0.000 0.267 246 Q C 1.407 177.436 176.000 0.048 0.000 1.028 246 Q CA 0.075 55.905 55.803 0.044 0.000 0.901 246 Q CB 1.458 30.225 28.738 0.047 0.000 1.183 246 Q HN 0.518 nan 8.270 nan 0.000 0.392 247 R N 3.185 123.704 120.500 0.032 0.000 2.092 247 R HA -0.100 4.240 4.340 -0.000 0.000 0.231 247 R C 1.871 178.186 176.300 0.025 0.000 1.119 247 R CA 1.953 58.069 56.100 0.028 0.000 0.970 247 R CB -0.644 29.664 30.300 0.014 0.000 0.864 247 R HN 0.772 nan 8.270 nan 0.000 0.440 248 G N 0.098 108.911 108.800 0.021 0.000 2.446 248 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.217 248 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.217 248 G C 1.366 176.296 174.900 0.051 0.000 1.168 248 G CA 0.782 45.894 45.100 0.019 0.000 0.771 248 G HN 0.523 nan 8.290 nan 0.000 0.551 249 Q N -0.210 119.624 119.800 0.057 0.000 2.119 249 Q HA -0.021 4.319 4.340 -0.000 0.000 0.201 249 Q C 2.540 178.544 176.000 0.006 0.000 0.972 249 Q CA 0.907 56.740 55.803 0.050 0.000 0.847 249 Q CB -0.197 28.586 28.738 0.076 0.000 0.903 249 Q HN 0.559 nan 8.270 nan 0.000 0.433 250 I N 1.208 121.809 120.570 0.053 0.000 2.179 250 I HA -0.293 3.877 4.170 -0.000 0.000 0.242 250 I C 1.685 177.829 176.117 0.045 0.000 1.088 250 I CA 1.405 62.746 61.300 0.069 0.000 1.357 250 I CB -0.222 37.828 38.000 0.084 0.000 1.051 250 I HN 0.209 nan 8.210 nan 0.000 0.409 251 D N 0.083 120.509 120.400 0.043 0.000 2.144 251 D HA -0.132 4.508 4.640 -0.000 0.000 0.200 251 D C 2.221 178.560 176.300 0.065 0.000 0.978 251 D CA 1.360 55.386 54.000 0.042 0.000 0.833 251 D CB -0.339 40.473 40.800 0.020 0.000 0.961 251 D HN 0.264 nan 8.370 nan 0.000 0.470 252 T N 0.437 115.051 114.554 0.100 0.000 2.737 252 T HA -0.082 4.268 4.350 -0.000 0.000 0.265 252 T C 1.996 176.794 174.700 0.163 0.000 1.038 252 T CA 1.438 63.636 62.100 0.163 0.000 1.144 252 T CB -0.235 68.781 68.868 0.247 0.000 0.866 252 T HN 0.183 nan 8.240 nan 0.000 0.434 253 A N 1.302 124.193 122.820 0.119 0.000 1.972 253 A HA 0.196 4.516 4.320 -0.000 0.000 0.219 253 A C 2.599 180.279 177.584 0.160 0.000 1.169 253 A CA 1.705 53.848 52.037 0.177 0.000 0.635 253 A CB -0.963 17.885 19.000 -0.253 0.000 0.810 253 A HN 0.495 nan 8.150 nan 0.000 0.446 254 A N -0.845 122.028 122.820 0.088 0.000 1.908 254 A HA -0.200 4.120 4.320 -0.000 0.000 0.218 254 A C 2.304 179.901 177.584 0.022 0.000 1.181 254 A CA 1.735 53.811 52.037 0.064 0.000 0.627 254 A CB -1.293 17.736 19.000 0.049 0.000 0.818 254 A HN 0.593 nan 8.150 nan 0.000 0.445 255 C N -1.970 117.319 119.300 -0.017 0.000 2.429 255 C HA -0.067 4.393 4.460 -0.000 0.000 0.277 255 C C 2.416 177.290 174.990 -0.193 0.000 1.262 255 C CA 0.863 59.809 59.018 -0.119 0.000 1.733 255 C CB -1.694 25.939 27.740 -0.178 0.000 2.010 255 C HN 0.622 nan 8.230 nan 0.000 0.483 256 F N 1.217 121.051 119.950 -0.193 0.000 2.134 256 F HA -0.112 4.415 4.527 -0.000 0.000 0.299 256 F C 2.635 178.205 175.800 -0.384 0.000 1.097 256 F CA 1.516 59.271 58.000 -0.408 0.000 1.264 256 F CB -0.596 37.934 39.000 -0.783 0.000 1.001 256 F HN 0.164 nan 8.300 nan 0.000 0.479 257 R N -0.075 120.403 120.500 -0.037 0.000 2.081 257 R HA -0.198 4.142 4.340 -0.000 0.000 0.235 257 R C 2.110 178.398 176.300 -0.020 0.000 1.131 257 R CA 1.613 57.708 56.100 -0.009 0.000 0.960 257 R CB -0.852 29.491 30.300 0.071 0.000 0.856 257 R HN 0.346 nan 8.270 nan 0.000 0.436 258 D N 0.921 121.305 120.400 -0.028 0.000 2.116 258 D HA -0.176 4.464 4.640 -0.000 0.000 0.193 258 D C 1.805 178.076 176.300 -0.047 0.000 0.998 258 D CA 1.240 55.220 54.000 -0.033 0.000 0.836 258 D CB 0.182 40.956 40.800 -0.043 0.000 0.951 258 D HN 0.175 nan 8.370 nan 0.000 0.449 259 L N 0.080 121.255 121.223 -0.079 0.000 2.209 259 L HA -0.011 4.329 4.340 -0.000 0.000 0.207 259 L C 2.700 179.542 176.870 -0.047 0.000 1.094 259 L CA 0.313 55.110 54.840 -0.072 0.000 0.790 259 L CB -0.325 41.668 42.059 -0.109 0.000 0.932 259 L HN 0.094 nan 8.230 nan 0.000 0.447 260 L N -0.486 120.703 121.223 -0.057 0.000 2.202 260 L HA 0.172 4.512 4.340 -0.000 0.000 0.205 260 L C 1.260 178.127 176.870 -0.006 0.000 1.083 260 L CA 0.581 55.400 54.840 -0.036 0.000 0.790 260 L CB -0.381 41.629 42.059 -0.082 0.000 0.942 260 L HN 0.416 nan 8.230 nan 0.000 0.452 261 G N 0.076 108.874 108.800 -0.003 0.000 2.855 261 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.352 261 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.352 261 G C -0.151 174.770 174.900 0.036 0.000 1.415 261 G CA -0.040 45.070 45.100 0.017 0.000 0.871 261 G HN 0.172 nan 8.290 nan 0.000 0.543 262 D N -0.019 120.404 120.400 0.039 0.000 2.277 262 D HA 0.244 4.884 4.640 -0.000 0.000 0.208 262 D C 1.647 177.975 176.300 0.047 0.000 0.962 262 D CA 2.002 56.031 54.000 0.049 0.000 0.865 262 D CB 0.115 40.938 40.800 0.038 0.000 0.939 262 D HN 1.169 nan 8.370 nan 0.000 0.510 263 S N -1.846 113.877 115.700 0.039 0.000 2.636 263 S HA 0.616 5.086 4.470 -0.000 0.000 0.266 263 S C -0.852 173.769 174.600 0.035 0.000 1.147 263 S CA -0.725 57.496 58.200 0.036 0.000 0.815 263 S CB 1.991 65.203 63.200 0.019 0.000 1.119 263 S HN 0.067 nan 8.310 nan 0.000 0.470 264 S N -0.705 115.018 115.700 0.039 0.000 2.615 264 S HA 0.530 5.000 4.470 -0.000 0.000 0.269 264 S C 0.518 175.142 174.600 0.039 0.000 1.161 264 S CA -0.193 58.031 58.200 0.039 0.000 0.817 264 S CB 1.267 64.495 63.200 0.047 0.000 1.131 264 S HN 0.978 nan 8.310 nan 0.000 0.467 265 E N 0.125 120.346 120.200 0.036 0.000 2.085 265 E HA -0.138 4.211 4.350 -0.000 0.000 0.194 265 E C 1.560 178.192 176.600 0.053 0.000 0.994 265 E CA 1.919 58.340 56.400 0.035 0.000 0.801 265 E CB -0.267 29.450 29.700 0.029 0.000 0.743 265 E HN 0.514 nan 8.360 nan 0.000 0.453 266 V N 1.198 121.151 119.914 0.065 0.000 2.307 266 V HA -0.269 3.851 4.120 -0.000 0.000 0.245 266 V C 2.644 178.836 176.094 0.164 0.000 1.045 266 V CA 1.935 64.291 62.300 0.092 0.000 1.024 266 V CB -0.807 31.061 31.823 0.074 0.000 0.651 266 V HN 0.445 nan 8.190 nan 0.000 0.449 267 S N 0.311 116.104 115.700 0.155 0.000 2.399 267 S HA -0.127 4.343 4.470 -0.000 0.000 0.231 267 S C 1.863 176.475 174.600 0.019 0.000 1.022 267 S CA 1.501 59.836 58.200 0.225 0.000 0.983 267 S CB -0.667 62.623 63.200 0.150 0.000 0.803 267 S HN 0.541 nan 8.310 nan 0.000 0.480 268 L N 2.287 123.516 121.223 0.010 0.000 2.478 268 L HA 0.060 4.400 4.340 -0.000 0.000 0.223 268 L C 2.836 179.688 176.870 -0.031 0.000 1.140 268 L CA 0.836 55.643 54.840 -0.054 0.000 0.842 268 L CB -0.627 41.421 42.059 -0.019 0.000 0.953 268 L HN 0.571 nan 8.230 nan 0.000 0.452 269 S N -0.305 115.435 115.700 0.067 0.000 2.469 269 S HA -0.164 4.306 4.470 -0.000 0.000 0.238 269 S C 0.660 175.341 174.600 0.135 0.000 0.998 269 S CA 0.252 58.511 58.200 0.099 0.000 0.957 269 S CB -0.692 62.584 63.200 0.128 0.000 0.764 269 S HN 0.693 nan 8.310 nan 0.000 0.514 270 H N -1.300 117.777 119.070 0.012 0.000 2.589 270 H HA 0.646 5.202 4.556 -0.000 0.000 0.335 270 H C 0.717 176.051 175.328 0.010 0.000 1.019 270 H CA -1.302 54.752 56.048 0.010 0.000 1.213 270 H CB 1.056 30.824 29.762 0.010 0.000 1.472 270 H HN -0.305 nan 8.280 nan 0.000 0.508 271 K N 2.279 122.683 120.400 0.007 0.000 2.023 271 K HA -0.196 4.124 4.320 -0.000 0.000 0.227 271 K C 0.048 176.608 176.600 -0.066 0.000 1.054 271 K CA 1.316 57.584 56.287 -0.031 0.000 0.977 271 K CB -0.629 31.877 32.500 0.009 0.000 0.733 271 K HN 0.759 nan 8.250 nan 0.000 0.451 272 N N 0.189 118.898 118.700 0.015 0.000 2.514 272 N HA 0.227 4.967 4.740 -0.000 0.000 0.277 272 N C 0.344 175.896 175.510 0.071 0.000 1.126 272 N CA 0.371 53.441 53.050 0.034 0.000 0.978 272 N CB 1.595 40.123 38.487 0.068 0.000 1.106 272 N HN 0.243 nan 8.380 nan 0.000 0.461 273 A N 1.255 124.082 122.820 0.012 0.000 2.211 273 A HA 0.088 4.408 4.320 -0.000 0.000 0.208 273 A C 0.630 178.268 177.584 0.091 0.000 1.250 273 A CA 0.148 52.230 52.037 0.074 0.000 0.935 273 A CB 0.481 19.454 19.000 -0.044 0.000 0.982 273 A HN 0.637 nan 8.150 nan 0.000 0.490 274 D N -0.866 119.562 120.400 0.047 0.000 2.448 274 D HA 0.030 4.670 4.640 -0.000 0.000 0.256 274 D C 1.516 177.831 176.300 0.025 0.000 1.108 274 D CA 0.329 54.346 54.000 0.030 0.000 0.848 274 D CB -0.162 40.644 40.800 0.011 0.000 1.281 274 D HN 0.330 nan 8.370 nan 0.000 0.509 275 K N 1.353 121.769 120.400 0.027 0.000 2.008 275 K HA -0.232 4.088 4.320 -0.000 0.000 0.231 275 K C 0.785 177.395 176.600 0.017 0.000 1.031 275 K CA 1.519 57.819 56.287 0.021 0.000 0.995 275 K CB -0.380 32.137 32.500 0.028 0.000 0.747 275 K HN 0.056 nan 8.250 nan 0.000 0.447 276 V N 1.748 121.676 119.914 0.023 0.000 2.834 276 V HA 0.049 4.169 4.120 -0.000 0.000 0.301 276 V C -0.245 175.856 176.094 0.012 0.000 1.066 276 V CA -0.417 61.891 62.300 0.014 0.000 1.052 276 V CB 1.573 33.404 31.823 0.012 0.000 1.021 276 V HN 0.404 nan 8.190 nan 0.000 0.480 277 Q N 3.060 122.864 119.800 0.006 0.000 2.288 277 Q HA 0.307 4.647 4.340 -0.000 0.000 0.254 277 Q C -0.607 175.399 176.000 0.010 0.000 0.932 277 Q CA -0.242 55.567 55.803 0.009 0.000 0.902 277 Q CB 1.096 29.843 28.738 0.015 0.000 1.203 277 Q HN 0.695 nan 8.270 nan 0.000 0.415 278 D N 3.107 123.514 120.400 0.012 0.000 2.372 278 D HA 0.225 4.865 4.640 -0.000 0.000 0.243 278 D C -2.068 174.258 176.300 0.042 0.000 1.121 278 D CA -1.275 52.733 54.000 0.013 0.000 0.898 278 D CB 0.438 41.235 40.800 -0.005 0.000 1.202 278 D HN 0.179 nan 8.370 nan 0.000 0.428 279 P HA -0.024 nan 4.420 nan 0.000 0.269 279 P C 0.792 178.190 177.300 0.162 0.000 1.215 279 P CA -0.167 62.958 63.100 0.041 0.000 0.780 279 P CB 0.391 32.096 31.700 0.008 0.000 0.898 280 Y N 0.813 121.097 120.300 -0.027 0.000 2.151 280 Y HA -0.219 4.331 4.550 -0.000 0.000 0.284 280 Y C 2.562 178.447 175.900 -0.025 0.000 1.166 280 Y CA 1.869 59.953 58.100 -0.028 0.000 1.163 280 Y CB -1.799 36.653 38.460 -0.014 0.000 0.974 280 Y HN 0.373 nan 8.280 nan 0.000 0.511 281 S N -0.591 115.206 115.700 0.162 0.000 2.440 281 S HA -0.164 4.306 4.470 -0.000 0.000 0.238 281 S C 1.934 176.566 174.600 0.054 0.000 1.010 281 S CA 1.343 59.598 58.200 0.092 0.000 0.972 281 S CB -0.764 62.479 63.200 0.072 0.000 0.774 281 S HN 0.434 nan 8.310 nan 0.000 0.501 282 L N 0.550 121.795 121.223 0.037 0.000 2.276 282 L HA 0.243 4.583 4.340 -0.000 0.000 0.194 282 L C 2.950 179.761 176.870 -0.098 0.000 1.099 282 L CA 0.978 55.815 54.840 -0.006 0.000 0.800 282 L CB -0.487 41.575 42.059 0.004 0.000 0.994 282 L HN 0.284 nan 8.230 nan 0.000 0.475 283 R N 0.086 120.531 120.500 -0.092 0.000 2.152 283 R HA -0.116 4.224 4.340 -0.000 0.000 0.232 283 R C 1.515 177.685 176.300 -0.215 0.000 1.117 283 R CA 1.575 57.562 56.100 -0.188 0.000 0.981 283 R CB -0.301 29.951 30.300 -0.079 0.000 0.870 283 R HN 0.364 nan 8.270 nan 0.000 0.451 284 C N 0.841 120.054 119.300 -0.145 0.000 2.688 284 C HA 0.277 4.737 4.460 -0.000 0.000 0.297 284 C C 1.645 176.596 174.990 -0.065 0.000 1.308 284 C CA -0.664 58.268 59.018 -0.144 0.000 1.726 284 C CB -0.445 27.169 27.740 -0.209 0.000 1.982 284 C HN 0.591 nan 8.230 nan 0.000 0.604 285 Q N 1.905 121.660 119.800 -0.075 0.000 2.061 285 Q HA -0.181 4.159 4.340 -0.000 0.000 0.204 285 Q C -0.506 175.559 176.000 0.109 0.000 0.984 285 Q CA 1.923 57.734 55.803 0.012 0.000 0.846 285 Q CB -0.721 27.951 28.738 -0.111 0.000 0.902 285 Q HN 0.494 nan 8.270 nan 0.000 0.421 286 P HA -0.173 nan 4.420 nan 0.000 0.215 286 P C 0.858 178.206 177.300 0.080 0.000 1.153 286 P CA 1.326 64.480 63.100 0.091 0.000 0.853 286 P CB 0.080 31.697 31.700 -0.138 0.000 0.788 287 Q N -0.951 118.882 119.800 0.055 0.000 2.046 287 Q HA -0.088 4.252 4.340 -0.000 0.000 0.200 287 Q C 2.148 178.182 176.000 0.058 0.000 0.975 287 Q CA 1.337 57.170 55.803 0.049 0.000 0.836 287 Q CB -1.352 27.386 28.738 0.001 0.000 0.896 287 Q HN 0.090 nan 8.270 nan 0.000 0.428 288 V N -0.124 119.826 119.914 0.060 0.000 2.302 288 V HA -0.188 3.932 4.120 -0.000 0.000 0.243 288 V C 2.008 178.172 176.094 0.117 0.000 1.036 288 V CA 1.362 63.707 62.300 0.075 0.000 1.020 288 V CB -0.424 31.439 31.823 0.067 0.000 0.657 288 V HN 0.404 nan 8.190 nan 0.000 0.453 289 M N 0.542 120.238 119.600 0.160 0.000 2.296 289 M HA -0.043 4.437 4.480 -0.000 0.000 0.265 289 M C 2.252 178.718 176.300 0.277 0.000 1.064 289 M CA 1.778 57.213 55.300 0.224 0.000 1.109 289 M CB -1.634 31.093 32.600 0.213 0.000 1.396 289 M HN 0.467 nan 8.290 nan 0.000 0.430 290 G N -0.003 108.916 108.800 0.198 0.000 2.408 290 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.217 290 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.217 290 G C 1.681 176.638 174.900 0.094 0.000 1.150 290 G CA 1.026 46.213 45.100 0.145 0.000 0.776 290 G HN 0.523 nan 8.290 nan 0.000 0.542 291 A N 0.137 123.009 122.820 0.086 0.000 1.902 291 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 291 A C 2.580 180.198 177.584 0.058 0.000 1.181 291 A CA 1.803 53.876 52.037 0.059 0.000 0.623 291 A CB -1.030 18.001 19.000 0.053 0.000 0.818 291 A HN 0.418 nan 8.150 nan 0.000 0.443 292 C N -1.321 118.034 119.300 0.092 0.000 2.429 292 C HA -0.073 4.387 4.460 -0.000 0.000 0.277 292 C C 2.535 177.550 174.990 0.042 0.000 1.262 292 C CA 1.126 60.201 59.018 0.094 0.000 1.733 292 C CB -1.445 26.393 27.740 0.163 0.000 2.010 292 C HN 0.682 nan 8.230 nan 0.000 0.483 293 L N 1.015 122.250 121.223 0.020 0.000 2.017 293 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 293 L C 2.519 179.326 176.870 -0.105 0.000 1.073 293 L CA 2.216 56.954 54.840 -0.170 0.000 0.745 293 L CB -1.270 40.647 42.059 -0.237 0.000 0.894 293 L HN 0.269 nan 8.230 nan 0.000 0.432 294 T N -0.720 113.810 114.554 -0.040 0.000 2.684 294 T HA -0.195 4.155 4.350 -0.000 0.000 0.267 294 T C 1.853 176.537 174.700 -0.026 0.000 1.036 294 T CA 1.426 63.508 62.100 -0.028 0.000 1.148 294 T CB -0.174 68.691 68.868 -0.005 0.000 0.863 294 T HN 0.358 nan 8.240 nan 0.000 0.436 295 Q N 0.853 120.645 119.800 -0.013 0.000 2.045 295 Q HA -0.121 4.219 4.340 -0.000 0.000 0.206 295 Q C 2.553 178.540 176.000 -0.022 0.000 0.991 295 Q CA 1.417 57.215 55.803 -0.009 0.000 0.851 295 Q CB -0.781 27.961 28.738 0.007 0.000 0.911 295 Q HN 0.638 nan 8.270 nan 0.000 0.418 296 L N -1.429 119.773 121.223 -0.035 0.000 2.291 296 L HA 0.002 4.342 4.340 -0.000 0.000 0.214 296 L C 2.137 178.973 176.870 -0.056 0.000 1.120 296 L CA 1.394 56.208 54.840 -0.044 0.000 0.799 296 L CB -0.508 41.522 42.059 -0.049 0.000 0.925 296 L HN -0.069 nan 8.230 nan 0.000 0.446 297 R N -0.030 120.431 120.500 -0.064 0.000 2.075 297 R HA -0.073 4.267 4.340 -0.000 0.000 0.232 297 R C 2.390 178.667 176.300 -0.037 0.000 1.126 297 R CA 1.705 57.772 56.100 -0.055 0.000 0.963 297 R CB -0.430 29.835 30.300 -0.060 0.000 0.858 297 R HN 0.563 nan 8.270 nan 0.000 0.435 298 Q N 0.038 119.820 119.800 -0.031 0.000 2.084 298 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 298 Q C 2.203 178.188 176.000 -0.025 0.000 0.978 298 Q CA 1.630 57.419 55.803 -0.023 0.000 0.844 298 Q CB -0.140 28.587 28.738 -0.017 0.000 0.898 298 Q HN 0.357 nan 8.270 nan 0.000 0.426 299 A N 1.132 123.934 122.820 -0.029 0.000 1.877 299 A HA -0.128 4.191 4.320 -0.000 0.000 0.216 299 A C 2.323 179.880 177.584 -0.045 0.000 1.186 299 A CA 1.586 53.602 52.037 -0.035 0.000 0.620 299 A CB -0.869 18.108 19.000 -0.038 0.000 0.822 299 A HN 0.404 nan 8.150 nan 0.000 0.443 300 A N -0.383 122.408 122.820 -0.048 0.000 1.940 300 A HA -0.203 4.117 4.320 -0.000 0.000 0.219 300 A C 1.962 179.527 177.584 -0.030 0.000 1.176 300 A CA 2.093 54.102 52.037 -0.047 0.000 0.631 300 A CB -0.525 18.454 19.000 -0.035 0.000 0.814 300 A HN 0.648 nan 8.150 nan 0.000 0.446 301 E N -0.414 119.771 120.200 -0.025 0.000 2.051 301 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 301 E C 1.842 178.433 176.600 -0.016 0.000 0.991 301 E CA 1.540 57.930 56.400 -0.017 0.000 0.799 301 E CB -0.186 29.504 29.700 -0.016 0.000 0.748 301 E HN 0.281 nan 8.360 nan 0.000 0.449 302 V N 0.683 120.585 119.914 -0.020 0.000 2.358 302 V HA -0.236 3.884 4.120 -0.000 0.000 0.246 302 V C 2.305 178.386 176.094 -0.022 0.000 1.047 302 V CA 1.570 63.859 62.300 -0.018 0.000 1.035 302 V CB -0.387 31.425 31.823 -0.018 0.000 0.658 302 V HN 0.330 nan 8.190 nan 0.000 0.452 303 L N 0.176 121.378 121.223 -0.034 0.000 2.179 303 L HA 0.045 4.385 4.340 -0.000 0.000 0.208 303 L C 2.606 179.459 176.870 -0.028 0.000 1.096 303 L CA 1.347 56.161 54.840 -0.043 0.000 0.779 303 L CB -1.002 41.007 42.059 -0.084 0.000 0.922 303 L HN 0.445 nan 8.230 nan 0.000 0.443 304 G N 0.324 109.114 108.800 -0.017 0.000 2.408 304 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.217 304 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.217 304 G C 1.606 176.510 174.900 0.008 0.000 1.150 304 G CA 0.491 45.594 45.100 0.006 0.000 0.776 304 G HN 0.238 nan 8.290 nan 0.000 0.542 305 I N 0.153 120.723 120.570 0.000 0.000 2.202 305 I HA -0.088 4.082 4.170 -0.000 0.000 0.242 305 I C 2.656 178.774 176.117 0.001 0.000 1.091 305 I CA 1.296 62.597 61.300 0.001 0.000 1.368 305 I CB -0.097 37.901 38.000 -0.004 0.000 1.058 305 I HN 0.151 nan 8.210 nan 0.000 0.410 306 E N 1.361 121.559 120.200 -0.004 0.000 2.160 306 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 306 E C 2.050 178.652 176.600 0.003 0.000 0.991 306 E CA 1.432 57.831 56.400 -0.003 0.000 0.810 306 E CB -0.131 29.564 29.700 -0.008 0.000 0.742 306 E HN 0.436 nan 8.360 nan 0.000 0.466 307 A N 0.384 123.208 122.820 0.007 0.000 2.019 307 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 307 A C 1.668 179.268 177.584 0.027 0.000 1.164 307 A CA 1.493 53.542 52.037 0.020 0.000 0.644 307 A CB -0.299 18.719 19.000 0.030 0.000 0.805 307 A HN 0.215 nan 8.150 nan 0.000 0.449 308 N N -0.292 118.422 118.700 0.023 0.000 2.230 308 N HA 0.255 4.995 4.740 -0.000 0.000 0.202 308 N C 0.337 175.859 175.510 0.021 0.000 1.119 308 N CA 0.637 53.703 53.050 0.028 0.000 0.851 308 N CB 0.189 38.693 38.487 0.028 0.000 0.990 308 N HN 0.439 nan 8.380 nan 0.000 0.497 309 A N 0.582 123.408 122.820 0.011 0.000 2.407 309 A HA 0.305 4.624 4.320 -0.000 0.000 0.248 309 A C 0.420 178.005 177.584 0.001 0.000 1.082 309 A CA -0.217 51.819 52.037 -0.002 0.000 0.785 309 A CB 0.563 19.560 19.000 -0.005 0.000 1.020 309 A HN -0.005 nan 8.150 nan 0.000 0.489 310 V N 2.941 122.841 119.914 -0.024 0.000 2.356 310 V HA 0.200 4.320 4.120 -0.000 0.000 0.258 310 V C 1.063 177.145 176.094 -0.020 0.000 1.065 310 V CA 0.859 63.146 62.300 -0.021 0.000 0.935 310 V CB 0.280 32.052 31.823 -0.085 0.000 1.061 310 V HN 1.049 nan 8.190 nan 0.000 0.484 311 S N 1.388 117.088 115.700 -0.000 0.000 2.578 311 S HA 0.130 4.600 4.470 -0.000 0.000 0.231 311 S C 0.391 174.995 174.600 0.007 0.000 0.994 311 S CA -0.581 57.621 58.200 0.003 0.000 0.956 311 S CB -0.067 63.136 63.200 0.006 0.000 0.870 311 S HN 0.812 nan 8.310 nan 0.000 0.494 312 D N 1.564 121.967 120.400 0.005 0.000 2.478 312 D HA 0.401 5.041 4.640 -0.000 0.000 0.269 312 D C -0.443 175.858 176.300 0.002 0.000 1.232 312 D CA -0.516 53.486 54.000 0.004 0.000 1.059 312 D CB 0.393 41.193 40.800 -0.000 0.000 1.104 312 D HN 0.211 nan 8.370 nan 0.000 0.566 313 N N -1.269 117.432 118.700 0.001 0.000 2.446 313 N HA 0.346 5.086 4.740 -0.000 0.000 0.272 313 N C -2.920 172.585 175.510 -0.008 0.000 1.127 313 N CA -1.230 51.826 53.050 0.010 0.000 0.896 313 N CB 2.436 40.949 38.487 0.044 0.000 1.658 313 N HN 0.096 nan 8.380 nan 0.000 0.483 314 P HA 0.237 nan 4.420 nan 0.000 0.276 314 P C -0.793 176.473 177.300 -0.056 0.000 1.261 314 P CA -0.316 62.786 63.100 0.003 0.000 0.800 314 P CB 1.064 32.779 31.700 0.026 0.000 1.066 315 L N 0.435 121.597 121.223 -0.101 0.000 2.307 315 L HA 0.356 4.696 4.340 -0.000 0.000 0.282 315 L C 0.061 176.654 176.870 -0.461 0.000 1.051 315 L CA -1.109 53.555 54.840 -0.293 0.000 0.804 315 L CB 1.497 43.316 42.059 -0.401 0.000 1.197 315 L HN 0.072 nan 8.230 nan 0.000 0.431 316 V N 3.408 123.065 119.914 -0.429 0.000 2.370 316 V HA 0.267 4.387 4.120 -0.000 0.000 0.279 316 V C -0.511 175.338 176.094 -0.407 0.000 1.029 316 V CA -0.230 61.883 62.300 -0.312 0.000 0.870 316 V CB 1.023 32.758 31.823 -0.147 0.000 0.984 316 V HN 0.387 nan 8.190 nan 0.000 0.451 317 F N 3.517 123.537 119.950 0.117 0.000 2.319 317 F HA 0.517 5.044 4.527 -0.001 0.000 0.356 317 F C 1.311 177.130 175.800 0.032 0.000 1.100 317 F CA -0.571 57.499 58.000 0.117 0.000 1.220 317 F CB 0.855 39.945 39.000 0.150 0.000 1.506 317 F HN 0.578 nan 8.300 nan 0.000 0.512 318 A N 1.873 124.743 122.820 0.084 0.000 1.986 318 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 318 A C 2.419 180.037 177.584 0.056 0.000 1.171 318 A CA 2.103 54.160 52.037 0.033 0.000 0.640 318 A CB -0.653 18.325 19.000 -0.036 0.000 0.811 318 A HN 0.662 nan 8.150 nan 0.000 0.451 319 A N -0.644 122.225 122.820 0.083 0.000 1.933 319 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 319 A C 1.866 179.491 177.584 0.068 0.000 1.175 319 A CA 1.930 54.007 52.037 0.065 0.000 0.628 319 A CB -0.301 18.744 19.000 0.074 0.000 0.814 319 A HN 0.522 nan 8.150 nan 0.000 0.444 320 E N -2.119 118.144 120.200 0.104 0.000 2.415 320 E HA 0.330 4.680 4.350 -0.000 0.000 0.197 320 E C 1.126 177.776 176.600 0.084 0.000 1.007 320 E CA 0.683 57.131 56.400 0.080 0.000 0.890 320 E CB 0.241 29.986 29.700 0.074 0.000 0.891 320 E HN 0.722 nan 8.360 nan 0.000 0.496 321 G N 1.059 109.918 108.800 0.099 0.000 2.136 321 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.242 321 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.242 321 G C -0.404 174.551 174.900 0.091 0.000 0.989 321 G CA 0.177 45.322 45.100 0.075 0.000 0.682 321 G HN 0.194 nan 8.290 nan 0.000 0.522 322 D N -0.302 120.187 120.400 0.149 0.000 2.225 322 D HA 0.568 5.208 4.640 -0.000 0.000 0.249 322 D C 0.060 176.468 176.300 0.179 0.000 1.052 322 D CA -0.031 54.081 54.000 0.185 0.000 0.909 322 D CB 2.052 43.017 40.800 0.275 0.000 1.186 322 D HN 0.058 nan 8.370 nan 0.000 0.431 323 V N 3.942 123.937 119.914 0.135 0.000 2.487 323 V HA 0.442 4.562 4.120 -0.000 0.000 0.298 323 V C 0.088 176.261 176.094 0.131 0.000 1.028 323 V CA -0.683 61.667 62.300 0.082 0.000 0.860 323 V CB 1.824 33.669 31.823 0.036 0.000 0.991 323 V HN 0.364 nan 8.190 nan 0.000 0.427 324 I N 2.921 123.573 120.570 0.136 0.000 2.509 324 I HA 0.430 4.600 4.170 -0.000 0.000 0.293 324 I C -0.040 176.154 176.117 0.129 0.000 1.020 324 I CA -0.454 60.954 61.300 0.181 0.000 1.088 324 I CB 2.248 40.439 38.000 0.319 0.000 1.267 324 I HN 0.572 nan 8.210 nan 0.000 0.430 325 S N 3.653 119.435 115.700 0.136 0.000 2.438 325 S HA 0.772 5.242 4.470 -0.000 0.000 0.293 325 S C -0.107 174.559 174.600 0.110 0.000 1.141 325 S CA -0.291 57.989 58.200 0.134 0.000 1.080 325 S CB 0.836 64.145 63.200 0.181 0.000 0.978 325 S HN 0.889 nan 8.310 nan 0.000 0.479 326 G N 2.081 110.939 108.800 0.096 0.000 3.022 326 G HA2 0.590 4.550 3.960 -0.000 0.000 0.284 326 G HA3 0.590 4.550 3.960 -0.000 0.000 0.284 326 G C 0.134 175.078 174.900 0.073 0.000 1.375 326 G CA -0.341 44.807 45.100 0.080 0.000 0.902 326 G HN 0.882 nan 8.290 nan 0.000 0.538 327 G N -0.405 108.433 108.800 0.064 0.000 3.805 327 G HA2 0.183 4.142 3.960 -0.000 0.000 0.290 327 G HA3 0.183 4.142 3.960 -0.000 0.000 0.290 327 G C 0.574 175.526 174.900 0.086 0.000 1.077 327 G CA -0.191 44.956 45.100 0.080 0.000 0.852 327 G HN 0.322 nan 8.290 nan 0.000 0.531 328 N N 1.008 119.745 118.700 0.062 0.000 2.519 328 N HA -0.062 4.678 4.740 -0.000 0.000 0.186 328 N C 2.265 177.811 175.510 0.060 0.000 1.062 328 N CA 0.925 54.006 53.050 0.051 0.000 0.910 328 N CB 0.079 38.581 38.487 0.026 0.000 0.958 328 N HN 0.348 nan 8.380 nan 0.000 0.445 329 G N -0.912 107.927 108.800 0.065 0.000 2.598 329 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.215 329 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.215 329 G C 0.477 175.413 174.900 0.060 0.000 1.131 329 G CA 0.098 45.226 45.100 0.046 0.000 0.785 329 G HN 0.351 nan 8.290 nan 0.000 0.539 330 H N 1.046 120.127 119.070 0.018 0.000 2.878 330 H HA 0.420 4.976 4.556 -0.001 0.000 0.290 330 H C 0.601 175.939 175.328 0.016 0.000 1.065 330 H CA -0.035 56.029 56.048 0.027 0.000 1.477 330 H CB 1.284 31.073 29.762 0.046 0.000 1.484 330 H HN 0.041 nan 8.280 nan 0.000 0.504 331 A N 4.521 127.427 122.820 0.144 0.000 2.476 331 A HA 0.030 4.350 4.320 -0.000 0.000 0.263 331 A C 1.930 179.614 177.584 0.168 0.000 1.342 331 A CA 0.045 52.146 52.037 0.108 0.000 0.926 331 A CB -0.277 18.720 19.000 -0.005 0.000 1.019 331 A HN 0.803 nan 8.150 nan 0.000 0.515 332 E N 1.733 122.158 120.200 0.374 0.000 2.086 332 E HA -0.185 4.165 4.350 -0.000 0.000 0.200 332 E C -0.580 176.078 176.600 0.096 0.000 1.012 332 E CA 2.567 59.108 56.400 0.233 0.000 0.812 332 E CB -0.578 29.205 29.700 0.139 0.000 0.743 332 E HN 0.502 nan 8.360 nan 0.000 0.453 333 P HA -0.125 nan 4.420 nan 0.000 0.217 333 P C 1.418 178.728 177.300 0.018 0.000 1.150 333 P CA 1.110 64.224 63.100 0.024 0.000 0.832 333 P CB 0.007 31.714 31.700 0.012 0.000 0.787 334 V N 0.752 120.678 119.914 0.020 0.000 2.358 334 V HA -0.183 3.937 4.120 -0.000 0.000 0.246 334 V C 2.833 178.929 176.094 0.002 0.000 1.047 334 V CA 2.016 64.317 62.300 0.000 0.000 1.035 334 V CB -1.741 30.076 31.823 -0.011 0.000 0.658 334 V HN 0.094 nan 8.190 nan 0.000 0.452 335 A N -0.296 122.535 122.820 0.018 0.000 1.902 335 A HA -0.240 4.080 4.320 -0.000 0.000 0.217 335 A C 2.260 179.858 177.584 0.023 0.000 1.181 335 A CA 2.251 54.301 52.037 0.021 0.000 0.623 335 A CB -0.481 18.544 19.000 0.042 0.000 0.818 335 A HN 0.488 nan 8.150 nan 0.000 0.443 336 M N -0.693 118.921 119.600 0.024 0.000 2.175 336 M HA -0.122 4.357 4.480 -0.000 0.000 0.264 336 M C 2.539 178.840 176.300 0.002 0.000 1.063 336 M CA 1.282 56.590 55.300 0.013 0.000 1.119 336 M CB -0.442 32.165 32.600 0.011 0.000 1.377 336 M HN 0.493 nan 8.290 nan 0.000 0.415 337 A N 0.552 123.370 122.820 -0.003 0.000 1.908 337 A HA -0.090 4.229 4.320 -0.000 0.000 0.218 337 A C 2.364 179.939 177.584 -0.014 0.000 1.181 337 A CA 2.018 54.046 52.037 -0.014 0.000 0.627 337 A CB -0.864 18.122 19.000 -0.023 0.000 0.818 337 A HN 0.501 nan 8.150 nan 0.000 0.445 338 A N -0.125 122.689 122.820 -0.011 0.000 1.873 338 A HA -0.144 4.176 4.320 -0.000 0.000 0.215 338 A C 1.775 179.361 177.584 0.004 0.000 1.186 338 A CA 1.775 53.806 52.037 -0.010 0.000 0.616 338 A CB -0.583 18.407 19.000 -0.017 0.000 0.823 338 A HN 0.430 nan 8.150 nan 0.000 0.442 339 D N 0.305 120.711 120.400 0.011 0.000 2.149 339 D HA -0.132 4.508 4.640 -0.000 0.000 0.198 339 D C 1.583 177.885 176.300 0.002 0.000 0.990 339 D CA 1.173 55.179 54.000 0.011 0.000 0.839 339 D CB -0.323 40.476 40.800 -0.000 0.000 0.948 339 D HN 0.379 nan 8.370 nan 0.000 0.460 340 N N 0.339 119.038 118.700 -0.001 0.000 2.142 340 N HA -0.058 4.682 4.740 -0.000 0.000 0.186 340 N C 2.083 177.597 175.510 0.007 0.000 1.023 340 N CA 0.338 53.388 53.050 -0.001 0.000 0.852 340 N CB -0.467 38.017 38.487 -0.005 0.000 0.998 340 N HN 0.240 nan 8.380 nan 0.000 0.424 341 L N 0.790 122.015 121.223 0.005 0.000 2.127 341 L HA -0.135 4.205 4.340 -0.000 0.000 0.211 341 L C 2.342 179.231 176.870 0.033 0.000 1.089 341 L CA 0.997 55.845 54.840 0.015 0.000 0.757 341 L CB -0.499 41.563 42.059 0.006 0.000 0.899 341 L HN 0.125 nan 8.230 nan 0.000 0.434 342 A N 0.416 123.254 122.820 0.030 0.000 1.908 342 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 342 A C 2.223 179.832 177.584 0.041 0.000 1.181 342 A CA 1.578 53.639 52.037 0.040 0.000 0.627 342 A CB -0.699 18.323 19.000 0.036 0.000 0.818 342 A HN 0.404 nan 8.150 nan 0.000 0.445 343 L N -0.969 120.273 121.223 0.031 0.000 2.046 343 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 343 L C 3.079 179.977 176.870 0.047 0.000 1.077 343 L CA 1.114 55.975 54.840 0.034 0.000 0.747 343 L CB -0.862 41.212 42.059 0.024 0.000 0.896 343 L HN 0.437 nan 8.230 nan 0.000 0.432 344 A N 0.784 123.634 122.820 0.049 0.000 1.858 344 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 344 A C 2.229 179.862 177.584 0.081 0.000 1.190 344 A CA 1.645 53.722 52.037 0.066 0.000 0.617 344 A CB -0.681 18.355 19.000 0.060 0.000 0.827 344 A HN 0.340 nan 8.150 nan 0.000 0.443 345 I N -0.304 120.314 120.570 0.079 0.000 2.315 345 I HA -0.243 3.927 4.170 -0.000 0.000 0.248 345 I C 2.936 179.099 176.117 0.077 0.000 1.117 345 I CA 0.927 62.280 61.300 0.089 0.000 1.404 345 I CB -0.314 37.745 38.000 0.099 0.000 1.071 345 I HN 0.364 nan 8.210 nan 0.000 0.419 346 A N 0.397 123.257 122.820 0.067 0.000 1.877 346 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 346 A C 2.238 179.858 177.584 0.060 0.000 1.186 346 A CA 1.470 53.543 52.037 0.060 0.000 0.620 346 A CB -0.372 18.660 19.000 0.053 0.000 0.822 346 A HN 0.297 nan 8.150 nan 0.000 0.443 347 E N -0.197 120.041 120.200 0.063 0.000 2.285 347 E HA -0.029 4.321 4.350 -0.000 0.000 0.194 347 E C 1.907 178.551 176.600 0.073 0.000 0.997 347 E CA 0.485 56.925 56.400 0.065 0.000 0.845 347 E CB -0.293 29.445 29.700 0.064 0.000 0.782 347 E HN 0.734 nan 8.360 nan 0.000 0.491 348 I N 0.437 121.055 120.570 0.081 0.000 2.226 348 I HA -0.186 3.984 4.170 -0.000 0.000 0.245 348 I C 2.387 178.542 176.117 0.064 0.000 1.100 348 I CA 1.414 62.761 61.300 0.078 0.000 1.374 348 I CB -0.384 37.668 38.000 0.087 0.000 1.057 348 I HN 0.097 nan 8.210 nan 0.000 0.413 349 G N -0.656 108.182 108.800 0.062 0.000 2.421 349 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.217 349 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.217 349 G C 1.750 176.684 174.900 0.056 0.000 1.143 349 G CA 0.850 45.984 45.100 0.057 0.000 0.784 349 G HN 0.385 nan 8.290 nan 0.000 0.541 350 S N -0.108 115.626 115.700 0.057 0.000 2.382 350 S HA -0.070 4.399 4.470 -0.000 0.000 0.228 350 S C 2.311 176.946 174.600 0.059 0.000 1.027 350 S CA 1.246 59.479 58.200 0.055 0.000 0.991 350 S CB -0.217 63.015 63.200 0.054 0.000 0.823 350 S HN 0.160 nan 8.310 nan 0.000 0.469 351 L N 1.423 122.685 121.223 0.064 0.000 2.093 351 L HA 0.093 4.433 4.340 -0.000 0.000 0.208 351 L C 2.661 179.571 176.870 0.068 0.000 1.085 351 L CA 2.030 56.911 54.840 0.069 0.000 0.755 351 L CB -1.153 40.952 42.059 0.077 0.000 0.904 351 L HN 0.412 nan 8.230 nan 0.000 0.435 352 S N -0.993 114.746 115.700 0.065 0.000 2.356 352 S HA -0.231 4.239 4.470 -0.000 0.000 0.223 352 S C 2.078 176.718 174.600 0.065 0.000 1.032 352 S CA 1.402 59.641 58.200 0.065 0.000 1.005 352 S CB -0.432 62.804 63.200 0.060 0.000 0.867 352 S HN 0.557 nan 8.310 nan 0.000 0.449 353 E N 0.925 121.162 120.200 0.061 0.000 2.085 353 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 353 E C 2.210 178.842 176.600 0.055 0.000 0.994 353 E CA 0.998 57.432 56.400 0.057 0.000 0.801 353 E CB -0.188 29.543 29.700 0.050 0.000 0.743 353 E HN 0.339 nan 8.360 nan 0.000 0.453 354 R N 0.273 120.806 120.500 0.054 0.000 2.092 354 R HA -0.025 4.315 4.340 -0.000 0.000 0.231 354 R C 2.477 178.806 176.300 0.047 0.000 1.119 354 R CA 0.797 56.926 56.100 0.049 0.000 0.970 354 R CB -0.550 29.781 30.300 0.053 0.000 0.864 354 R HN 0.228 nan 8.270 nan 0.000 0.440 355 R N 0.224 120.756 120.500 0.054 0.000 2.096 355 R HA -0.029 4.311 4.340 -0.000 0.000 0.235 355 R C 2.381 178.707 176.300 0.045 0.000 1.127 355 R CA 1.157 57.287 56.100 0.050 0.000 0.968 355 R CB -0.373 29.964 30.300 0.061 0.000 0.861 355 R HN 0.194 nan 8.270 nan 0.000 0.440 356 I N -0.029 120.575 120.570 0.057 0.000 2.226 356 I HA -0.295 3.875 4.170 -0.000 0.000 0.245 356 I C 2.581 178.727 176.117 0.050 0.000 1.100 356 I CA 1.186 62.523 61.300 0.061 0.000 1.374 356 I CB -0.313 37.737 38.000 0.083 0.000 1.057 356 I HN 0.136 nan 8.210 nan 0.000 0.413 357 S N 0.775 116.504 115.700 0.048 0.000 2.383 357 S HA -0.146 4.323 4.470 -0.000 0.000 0.227 357 S C 2.058 176.668 174.600 0.017 0.000 1.026 357 S CA 1.078 59.304 58.200 0.043 0.000 0.981 357 S CB -0.274 62.951 63.200 0.041 0.000 0.818 357 S HN 0.385 nan 8.310 nan 0.000 0.472 358 L N 0.783 122.012 121.223 0.010 0.000 2.017 358 L HA -0.028 4.312 4.340 -0.000 0.000 0.208 358 L C 2.470 179.320 176.870 -0.032 0.000 1.073 358 L CA 1.571 56.406 54.840 -0.008 0.000 0.745 358 L CB -0.292 41.768 42.059 0.002 0.000 0.894 358 L HN 0.394 nan 8.230 nan 0.000 0.432 359 M N -1.246 118.336 119.600 -0.029 0.000 2.346 359 M HA -0.222 4.258 4.480 -0.000 0.000 0.263 359 M C 1.734 177.977 176.300 -0.094 0.000 1.064 359 M CA 1.233 56.496 55.300 -0.061 0.000 1.083 359 M CB -0.142 32.423 32.600 -0.059 0.000 1.399 359 M HN 0.351 nan 8.290 nan 0.000 0.435 360 M N -1.012 118.545 119.600 -0.071 0.000 2.510 360 M HA 0.074 4.554 4.480 -0.000 0.000 0.256 360 M C 0.205 176.321 176.300 -0.306 0.000 1.132 360 M CA 0.597 55.822 55.300 -0.124 0.000 1.105 360 M CB -0.756 31.883 32.600 0.065 0.000 1.375 360 M HN -0.019 nan 8.290 nan 0.000 0.477 361 D N 2.396 122.680 120.400 -0.193 0.000 2.380 361 D HA 0.094 4.734 4.640 -0.000 0.000 0.230 361 D C 1.151 177.324 176.300 -0.211 0.000 1.154 361 D CA 0.025 53.904 54.000 -0.201 0.000 0.859 361 D CB 0.965 41.716 40.800 -0.082 0.000 1.045 361 D HN 0.280 nan 8.370 nan 0.000 0.495 362 K N 3.015 123.220 120.400 -0.326 0.000 2.218 362 K HA -0.226 4.094 4.320 -0.000 0.000 0.205 362 K C 0.761 177.206 176.600 -0.259 0.000 1.046 362 K CA 1.273 57.369 56.287 -0.318 0.000 0.933 362 K CB -0.347 31.910 32.500 -0.405 0.000 0.728 362 K HN 0.543 nan 8.250 nan 0.000 0.454 363 H N -0.699 118.316 119.070 -0.092 0.000 2.547 363 H HA 0.161 4.717 4.556 -0.000 0.000 0.272 363 H C 1.639 176.930 175.328 -0.062 0.000 0.989 363 H CA 0.811 56.819 56.048 -0.067 0.000 1.214 363 H CB 0.298 30.024 29.762 -0.059 0.000 1.389 363 H HN 0.159 nan 8.280 nan 0.000 0.577 364 M N -0.963 118.648 119.600 0.020 0.000 2.470 364 M HA 0.065 4.545 4.480 -0.000 0.000 0.262 364 M C 2.038 178.317 176.300 -0.035 0.000 1.211 364 M CA 0.495 55.793 55.300 -0.005 0.000 1.125 364 M CB 0.314 32.908 32.600 -0.009 0.000 1.480 364 M HN 0.195 nan 8.290 nan 0.000 0.541 365 S N -0.043 115.620 115.700 -0.062 0.000 2.470 365 S HA -0.015 4.455 4.470 -0.000 0.000 0.225 365 S C 0.931 175.486 174.600 -0.076 0.000 1.006 365 S CA 0.192 58.348 58.200 -0.073 0.000 0.934 365 S CB -0.176 62.965 63.200 -0.098 0.000 0.778 365 S HN 0.549 nan 8.310 nan 0.000 0.517 366 Q N 0.328 120.085 119.800 -0.072 0.000 2.475 366 Q HA -0.131 4.209 4.340 -0.000 0.000 0.280 366 Q C -0.949 175.009 176.000 -0.070 0.000 1.234 366 Q CA 0.737 56.500 55.803 -0.066 0.000 0.873 366 Q CB -1.912 26.784 28.738 -0.071 0.000 1.256 366 Q HN 0.638 nan 8.270 nan 0.000 0.475 367 L N -1.019 120.153 121.223 -0.084 0.000 2.341 367 L HA 0.636 4.976 4.340 -0.000 0.000 0.254 367 L C -2.200 174.613 176.870 -0.095 0.000 1.040 367 L CA -2.486 52.307 54.840 -0.079 0.000 0.837 367 L CB 1.534 43.542 42.059 -0.086 0.000 1.425 367 L HN -0.196 nan 8.230 nan 0.000 0.414 368 P HA 0.134 nan 4.420 nan 0.000 0.267 368 P C -2.584 174.640 177.300 -0.126 0.000 1.200 368 P CA -1.058 62.000 63.100 -0.070 0.000 0.772 368 P CB -0.435 31.258 31.700 -0.012 0.000 0.855 369 P HA -0.021 nan 4.420 nan 0.000 0.262 369 P C -0.190 176.983 177.300 -0.213 0.000 1.182 369 P CA 0.473 63.350 63.100 -0.372 0.000 0.761 369 P CB -0.309 31.192 31.700 -0.332 0.000 0.795 370 F N 1.369 121.298 119.950 -0.036 0.000 3.069 370 F HA -0.196 4.331 4.527 -0.000 0.000 0.285 370 F C 0.935 176.718 175.800 -0.028 0.000 0.827 370 F CA 0.133 58.127 58.000 -0.010 0.000 1.108 370 F CB -2.435 36.581 39.000 0.025 0.000 1.252 370 F HN 0.145 nan 8.300 nan 0.000 0.483 371 L N -2.153 119.066 121.223 -0.006 0.000 4.001 371 L HA -0.205 4.135 4.340 -0.000 0.000 0.413 371 L C 0.176 177.054 176.870 0.014 0.000 1.185 371 L CA 1.033 55.806 54.840 -0.110 0.000 0.963 371 L CB -1.911 39.877 42.059 -0.452 0.000 1.976 371 L HN 0.468 nan 8.230 nan 0.000 0.939 372 V N -4.072 115.913 119.914 0.119 0.000 3.007 372 V HA 0.755 4.875 4.120 -0.000 0.000 0.311 372 V C 0.416 176.597 176.094 0.144 0.000 1.120 372 V CA -1.195 61.214 62.300 0.182 0.000 0.980 372 V CB 2.361 34.359 31.823 0.292 0.000 1.033 372 V HN 0.200 nan 8.190 nan 0.000 0.429 373 E N 2.047 122.336 120.200 0.148 0.000 2.349 373 E HA 0.359 4.709 4.350 -0.000 0.000 0.265 373 E C -0.564 176.102 176.600 0.110 0.000 1.064 373 E CA -0.395 56.072 56.400 0.111 0.000 0.886 373 E CB 0.309 30.072 29.700 0.105 0.000 1.036 373 E HN 0.802 nan 8.360 nan 0.000 0.413 374 N N 0.571 119.322 118.700 0.084 0.000 2.816 374 N HA -0.133 4.607 4.740 -0.000 0.000 0.247 374 N C 0.797 176.361 175.510 0.090 0.000 1.100 374 N CA 0.810 53.906 53.050 0.076 0.000 0.687 374 N CB -1.745 36.786 38.487 0.073 0.000 1.003 374 N HN 0.861 nan 8.380 nan 0.000 0.554 375 G N 0.081 108.937 108.800 0.093 0.000 2.462 375 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.220 375 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.220 375 G C 1.558 176.517 174.900 0.097 0.000 1.121 375 G CA 1.194 46.362 45.100 0.114 0.000 0.758 375 G HN 0.551 nan 8.290 nan 0.000 0.559 376 G N -0.144 108.699 108.800 0.071 0.000 2.462 376 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.220 376 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.220 376 G C 1.265 176.198 174.900 0.056 0.000 1.121 376 G CA 1.449 46.584 45.100 0.058 0.000 0.758 376 G HN 0.447 nan 8.290 nan 0.000 0.559 377 V N -0.433 119.518 119.914 0.062 0.000 3.398 377 V HA 0.221 4.341 4.120 -0.000 0.000 0.298 377 V C 0.094 176.231 176.094 0.071 0.000 1.496 377 V CA -0.478 61.856 62.300 0.056 0.000 1.044 377 V CB 0.106 31.957 31.823 0.046 0.000 0.880 377 V HN 0.177 nan 8.190 nan 0.000 0.443 378 N N 0.104 118.862 118.700 0.097 0.000 2.314 378 N HA 0.375 5.115 4.740 -0.000 0.000 0.304 378 N C 0.383 175.971 175.510 0.130 0.000 1.073 378 N CA -0.132 52.997 53.050 0.132 0.000 0.822 378 N CB 2.222 40.815 38.487 0.177 0.000 1.280 378 N HN -0.029 nan 8.380 nan 0.000 0.489 379 S N 0.377 116.141 115.700 0.107 0.000 2.503 379 S HA 0.157 4.627 4.470 -0.000 0.000 0.215 379 S C 1.343 175.959 174.600 0.026 0.000 1.003 379 S CA 0.278 58.480 58.200 0.004 0.000 0.910 379 S CB 0.088 63.242 63.200 -0.077 0.000 0.790 379 S HN 0.930 nan 8.310 nan 0.000 0.514 380 G N 2.067 110.967 108.800 0.167 0.000 2.622 380 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.307 380 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.307 380 G C 0.314 175.206 174.900 -0.015 0.000 1.226 380 G CA 0.681 45.870 45.100 0.148 0.000 0.997 380 G HN 0.405 nan 8.290 nan 0.000 0.551 381 F N 1.342 121.195 119.950 -0.163 0.000 2.773 381 F HA 0.400 4.926 4.527 -0.000 0.000 0.304 381 F C 2.561 178.161 175.800 -0.333 0.000 1.129 381 F CA 1.073 58.908 58.000 -0.274 0.000 1.378 381 F CB -0.157 38.791 39.000 -0.087 0.000 1.095 381 F HN 0.379 nan 8.300 nan 0.000 0.565 382 M N -0.270 119.158 119.600 -0.288 0.000 2.089 382 M HA -0.268 4.212 4.480 -0.000 0.000 0.257 382 M C 1.621 177.701 176.300 -0.367 0.000 1.071 382 M CA 1.932 56.883 55.300 -0.581 0.000 1.096 382 M CB -0.071 31.984 32.600 -0.908 0.000 1.330 382 M HN 0.016 nan 8.290 nan 0.000 0.403 383 I N 0.022 120.367 120.570 -0.376 0.000 2.852 383 I HA -0.006 4.164 4.170 -0.000 0.000 0.264 383 I C 2.657 178.569 176.117 -0.341 0.000 1.179 383 I CA 1.010 62.129 61.300 -0.302 0.000 1.480 383 I CB -2.135 35.716 38.000 -0.249 0.000 1.111 383 I HN 0.288 nan 8.210 nan 0.000 0.441 384 A N 0.617 123.091 122.820 -0.576 0.000 1.940 384 A HA -0.278 4.042 4.320 -0.000 0.000 0.219 384 A C 2.353 179.816 177.584 -0.201 0.000 1.176 384 A CA 1.967 53.684 52.037 -0.534 0.000 0.631 384 A CB -0.748 17.684 19.000 -0.947 0.000 0.814 384 A HN 0.542 nan 8.150 nan 0.000 0.446 385 Q N -0.183 119.545 119.800 -0.120 0.000 2.124 385 Q HA -0.127 4.213 4.340 -0.000 0.000 0.202 385 Q C 1.908 177.892 176.000 -0.027 0.000 0.977 385 Q CA 1.914 57.712 55.803 -0.009 0.000 0.850 385 Q CB -0.209 28.565 28.738 0.060 0.000 0.901 385 Q HN 0.429 nan 8.270 nan 0.000 0.429 386 V N 0.596 120.469 119.914 -0.070 0.000 2.343 386 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 386 V C 2.274 178.342 176.094 -0.043 0.000 1.051 386 V CA 2.137 64.406 62.300 -0.053 0.000 1.036 386 V CB -0.892 30.886 31.823 -0.074 0.000 0.654 386 V HN 0.450 nan 8.190 nan 0.000 0.451 387 T N 0.438 114.952 114.554 -0.068 0.000 2.746 387 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 387 T C 2.079 176.770 174.700 -0.015 0.000 1.039 387 T CA 1.649 63.722 62.100 -0.045 0.000 1.142 387 T CB -0.426 68.403 68.868 -0.065 0.000 0.866 387 T HN 0.577 nan 8.240 nan 0.000 0.444 388 A N 1.397 124.213 122.820 -0.007 0.000 1.933 388 A HA 0.111 4.431 4.320 -0.000 0.000 0.218 388 A C 2.631 180.229 177.584 0.022 0.000 1.175 388 A CA 1.886 53.935 52.037 0.021 0.000 0.628 388 A CB -1.068 17.956 19.000 0.040 0.000 0.814 388 A HN 0.513 nan 8.150 nan 0.000 0.444 389 A N -0.147 122.682 122.820 0.015 0.000 1.902 389 A HA 0.159 4.478 4.320 -0.000 0.000 0.217 389 A C 2.507 180.100 177.584 0.015 0.000 1.181 389 A CA 2.070 54.118 52.037 0.018 0.000 0.623 389 A CB -1.012 17.997 19.000 0.015 0.000 0.818 389 A HN 1.066 nan 8.150 nan 0.000 0.443 390 A N -0.193 122.631 122.820 0.007 0.000 1.902 390 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 390 A C 2.187 179.780 177.584 0.016 0.000 1.181 390 A CA 1.557 53.599 52.037 0.009 0.000 0.623 390 A CB -0.612 18.390 19.000 0.002 0.000 0.818 390 A HN 0.480 nan 8.150 nan 0.000 0.443 391 L N -0.928 120.307 121.223 0.019 0.000 2.027 391 L HA -0.184 4.156 4.340 -0.000 0.000 0.206 391 L C 3.136 180.025 176.870 0.032 0.000 1.074 391 L CA 1.081 55.937 54.840 0.026 0.000 0.745 391 L CB -0.622 41.455 42.059 0.029 0.000 0.898 391 L HN 0.443 nan 8.230 nan 0.000 0.433 392 A N -0.805 122.035 122.820 0.033 0.000 1.902 392 A HA -0.252 4.068 4.320 -0.000 0.000 0.217 392 A C 2.548 180.153 177.584 0.035 0.000 1.181 392 A CA 2.131 54.191 52.037 0.037 0.000 0.623 392 A CB -0.777 18.246 19.000 0.039 0.000 0.818 392 A HN 0.372 nan 8.150 nan 0.000 0.443 393 S N -0.765 114.952 115.700 0.029 0.000 2.368 393 S HA -0.219 4.251 4.470 -0.000 0.000 0.225 393 S C 1.949 176.565 174.600 0.027 0.000 1.030 393 S CA 1.678 59.894 58.200 0.026 0.000 0.999 393 S CB -0.401 62.811 63.200 0.020 0.000 0.844 393 S HN 0.632 nan 8.310 nan 0.000 0.459 394 E N 0.453 120.669 120.200 0.027 0.000 2.130 394 E HA -0.172 4.178 4.350 -0.000 0.000 0.196 394 E C 1.575 178.196 176.600 0.035 0.000 0.998 394 E CA 1.196 57.612 56.400 0.028 0.000 0.806 394 E CB -0.175 29.542 29.700 0.029 0.000 0.738 394 E HN 0.464 nan 8.360 nan 0.000 0.459 395 N N 0.556 119.279 118.700 0.039 0.000 2.453 395 N HA -0.100 4.640 4.740 -0.000 0.000 0.183 395 N C 1.273 176.810 175.510 0.045 0.000 1.041 395 N CA 0.682 53.760 53.050 0.045 0.000 0.900 395 N CB 0.049 38.566 38.487 0.049 0.000 0.961 395 N HN 0.187 nan 8.380 nan 0.000 0.443 396 K N 0.520 120.944 120.400 0.040 0.000 2.025 396 K HA 0.036 4.356 4.320 -0.000 0.000 0.207 396 K C 1.959 178.587 176.600 0.046 0.000 1.049 396 K CA 1.228 57.540 56.287 0.041 0.000 0.933 396 K CB -0.113 32.407 32.500 0.035 0.000 0.714 396 K HN 0.096 nan 8.250 nan 0.000 0.438 397 A N 1.554 124.397 122.820 0.038 0.000 1.930 397 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 397 A C 2.119 179.737 177.584 0.056 0.000 1.175 397 A CA 1.072 53.131 52.037 0.036 0.000 0.627 397 A CB -0.586 18.422 19.000 0.013 0.000 0.815 397 A HN 0.151 nan 8.150 nan 0.000 0.443 398 L N 0.559 121.815 121.223 0.055 0.000 2.275 398 L HA -0.135 4.205 4.340 -0.000 0.000 0.215 398 L C 2.723 179.641 176.870 0.081 0.000 1.119 398 L CA 1.308 56.190 54.840 0.069 0.000 0.790 398 L CB -0.323 41.771 42.059 0.058 0.000 0.919 398 L HN 0.599 nan 8.230 nan 0.000 0.443 399 S N -2.044 113.697 115.700 0.069 0.000 2.555 399 S HA -0.163 4.307 4.470 -0.000 0.000 0.230 399 S C 0.867 175.489 174.600 0.038 0.000 0.978 399 S CA -0.146 58.086 58.200 0.053 0.000 0.934 399 S CB -0.655 62.570 63.200 0.043 0.000 0.766 399 S HN 0.478 nan 8.310 nan 0.000 0.533 400 H N 4.351 123.399 119.070 -0.036 0.000 3.070 400 H HA 0.259 4.814 4.556 -0.001 0.000 0.313 400 H C -2.463 172.785 175.328 -0.134 0.000 0.997 400 H CA -0.926 55.072 56.048 -0.084 0.000 1.438 400 H CB 0.482 30.175 29.762 -0.115 0.000 1.455 400 H HN 0.229 nan 8.280 nan 0.000 0.575 401 P HA 0.029 nan 4.420 nan 0.000 0.275 401 P C 0.025 177.156 177.300 -0.281 0.000 1.227 401 P CA 0.094 63.021 63.100 -0.289 0.000 0.781 401 P CB 0.918 32.457 31.700 -0.269 0.000 0.906 402 H N 0.568 119.606 119.070 -0.053 0.000 2.582 402 H HA -0.005 4.550 4.556 -0.000 0.000 0.269 402 H C 1.729 177.042 175.328 -0.024 0.000 0.962 402 H CA 1.180 57.218 56.048 -0.018 0.000 1.230 402 H CB 0.134 29.884 29.762 -0.021 0.000 1.445 402 H HN 0.476 nan 8.280 nan 0.000 0.528 403 S N 1.249 116.994 115.700 0.076 0.000 2.555 403 S HA -0.064 4.406 4.470 -0.000 0.000 0.230 403 S C 1.871 176.496 174.600 0.042 0.000 0.978 403 S CA 0.776 59.010 58.200 0.058 0.000 0.934 403 S CB -0.851 62.378 63.200 0.048 0.000 0.766 403 S HN 0.251 nan 8.310 nan 0.000 0.533 404 V N -1.935 117.983 119.914 0.007 0.000 3.649 404 V HA 0.356 4.476 4.120 -0.000 0.000 0.275 404 V C 0.170 176.275 176.094 0.018 0.000 1.281 404 V CA 0.077 62.383 62.300 0.010 0.000 1.143 404 V CB -0.620 31.186 31.823 -0.028 0.000 0.892 404 V HN 0.286 nan 8.190 nan 0.000 0.441 405 D N 0.330 120.737 120.400 0.011 0.000 2.272 405 D HA 0.686 5.326 4.640 -0.000 0.000 0.247 405 D C -0.575 175.692 176.300 -0.055 0.000 0.990 405 D CA 0.069 54.069 54.000 -0.001 0.000 0.931 405 D CB 2.205 43.016 40.800 0.017 0.000 1.195 405 D HN 0.335 nan 8.370 nan 0.000 0.477 406 S N 1.323 116.976 115.700 -0.078 0.000 2.543 406 S HA 0.604 5.074 4.470 -0.000 0.000 0.274 406 S C -2.057 172.490 174.600 -0.090 0.000 1.149 406 S CA -0.730 57.377 58.200 -0.156 0.000 0.866 406 S CB 0.347 63.324 63.200 -0.372 0.000 1.111 406 S HN 0.381 nan 8.310 nan 0.000 0.457 407 L N 3.552 124.723 121.223 -0.087 0.000 2.386 407 L HA 0.596 4.936 4.340 -0.000 0.000 0.271 407 L C -2.444 174.397 176.870 -0.049 0.000 0.993 407 L CA -2.078 52.732 54.840 -0.051 0.000 0.819 407 L CB 2.543 44.579 42.059 -0.037 0.000 1.294 407 L HN 0.482 nan 8.230 nan 0.000 0.414 408 P HA 0.247 nan 4.420 nan 0.000 0.281 408 P C -0.624 176.665 177.300 -0.019 0.000 1.252 408 P CA -0.333 62.759 63.100 -0.012 0.000 0.778 408 P CB 1.050 32.754 31.700 0.006 0.000 0.895 409 T N -1.911 112.629 114.554 -0.023 0.000 2.841 409 T HA 0.454 4.803 4.350 -0.000 0.000 0.276 409 T C -0.261 174.426 174.700 -0.023 0.000 1.003 409 T CA -0.900 61.183 62.100 -0.029 0.000 0.995 409 T CB -0.039 68.803 68.868 -0.044 0.000 1.260 409 T HN 0.221 nan 8.240 nan 0.000 0.581 410 S N 0.332 116.013 115.700 -0.030 0.000 3.356 410 S HA 0.013 4.483 4.470 -0.000 0.000 0.376 410 S C 0.998 175.590 174.600 -0.014 0.000 0.924 410 S CA 0.582 58.766 58.200 -0.027 0.000 1.316 410 S CB -2.293 60.889 63.200 -0.030 0.000 0.922 410 S HN 2.340 nan 8.310 nan 0.000 0.553 411 A N 1.412 124.225 122.820 -0.012 0.000 2.665 411 A HA -0.318 4.002 4.320 -0.000 0.000 0.301 411 A C 1.119 178.702 177.584 -0.001 0.000 1.509 411 A CA 1.258 53.291 52.037 -0.005 0.000 0.789 411 A CB -1.838 17.160 19.000 -0.004 0.000 1.024 411 A HN 1.313 nan 8.150 nan 0.000 0.460 412 N N -2.784 115.917 118.700 0.001 0.000 2.741 412 N HA -0.259 4.481 4.740 -0.000 0.000 0.251 412 N C 0.865 176.383 175.510 0.013 0.000 1.112 412 N CA 1.317 54.373 53.050 0.009 0.000 0.750 412 N CB -0.282 38.211 38.487 0.010 0.000 1.119 412 N HN 0.792 nan 8.380 nan 0.000 0.561 413 Q N 0.604 120.409 119.800 0.008 0.000 2.134 413 Q HA 0.102 4.442 4.340 -0.000 0.000 0.195 413 Q C 0.421 176.434 176.000 0.022 0.000 0.958 413 Q CA 1.118 56.927 55.803 0.010 0.000 0.840 413 Q CB 0.021 28.760 28.738 0.001 0.000 0.918 413 Q HN 0.444 nan 8.270 nan 0.000 0.467 414 E N 2.821 123.031 120.200 0.015 0.000 1.979 414 E HA -0.008 4.342 4.350 -0.000 0.000 0.285 414 E C -0.232 176.387 176.600 0.031 0.000 1.188 414 E CA -0.065 56.348 56.400 0.023 0.000 1.214 414 E CB 0.105 29.802 29.700 -0.005 0.000 1.210 414 E HN 0.303 nan 8.360 nan 0.000 0.477 415 D N 0.082 120.520 120.400 0.063 0.000 2.339 415 D HA -0.084 4.556 4.640 -0.000 0.000 0.217 415 D C 0.324 176.702 176.300 0.130 0.000 1.050 415 D CA 0.288 54.330 54.000 0.071 0.000 0.856 415 D CB 0.255 41.094 40.800 0.065 0.000 0.922 415 D HN 0.265 nan 8.370 nan 0.000 0.518 416 H N 0.049 119.152 119.070 0.055 0.000 2.966 416 H HA 0.435 4.991 4.556 -0.001 0.000 0.347 416 H C -1.318 174.074 175.328 0.107 0.000 1.048 416 H CA -0.680 55.426 56.048 0.096 0.000 1.295 416 H CB 2.164 32.003 29.762 0.128 0.000 1.744 416 H HN -0.069 nan 8.280 nan 0.000 0.513 417 V N 2.161 121.890 119.914 -0.308 0.000 3.158 417 V HA 0.550 4.670 4.120 -0.000 0.000 0.311 417 V C 0.723 176.612 176.094 -0.342 0.000 1.181 417 V CA 0.009 62.100 62.300 -0.348 0.000 1.054 417 V CB 1.599 33.275 31.823 -0.245 0.000 1.085 417 V HN 0.763 nan 8.190 nan 0.000 0.446 418 S N 0.065 115.564 115.700 -0.334 0.000 2.475 418 S HA 0.113 4.583 4.470 -0.000 0.000 0.224 418 S C 1.156 175.729 174.600 -0.047 0.000 1.042 418 S CA 0.781 58.945 58.200 -0.060 0.000 0.935 418 S CB -0.263 62.926 63.200 -0.017 0.000 0.801 418 S HN 1.244 nan 8.310 nan 0.000 0.509 419 M N 0.299 119.846 119.600 -0.088 0.000 2.818 419 M HA -0.208 4.272 4.480 -0.000 0.000 0.194 419 M C 1.226 177.494 176.300 -0.053 0.000 0.586 419 M CA 0.760 56.028 55.300 -0.053 0.000 0.664 419 M CB -2.759 29.847 32.600 0.010 0.000 2.418 419 M HN 0.594 nan 8.290 nan 0.000 0.517 420 A N -0.468 122.317 122.820 -0.059 0.000 1.908 420 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 420 A C -0.200 177.333 177.584 -0.085 0.000 1.181 420 A CA 2.085 54.089 52.037 -0.056 0.000 0.627 420 A CB -1.273 17.697 19.000 -0.050 0.000 0.818 420 A HN 0.445 nan 8.150 nan 0.000 0.445 421 P HA -0.182 nan 4.420 nan 0.000 0.215 421 P C 1.815 179.081 177.300 -0.057 0.000 1.157 421 P CA 2.116 65.174 63.100 -0.070 0.000 0.874 421 P CB -0.134 31.502 31.700 -0.107 0.000 0.790 422 A N -0.156 122.548 122.820 -0.193 0.000 1.902 422 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 422 A C 2.331 179.559 177.584 -0.593 0.000 1.181 422 A CA 2.249 54.024 52.037 -0.436 0.000 0.623 422 A CB -1.670 17.000 19.000 -0.550 0.000 0.818 422 A HN 0.192 nan 8.150 nan 0.000 0.443 423 A N -0.595 121.993 122.820 -0.386 0.000 1.883 423 A HA 0.071 4.391 4.320 -0.000 0.000 0.217 423 A C 2.407 179.894 177.584 -0.161 0.000 1.186 423 A CA 2.122 54.050 52.037 -0.181 0.000 0.624 423 A CB -1.349 17.638 19.000 -0.022 0.000 0.822 423 A HN 0.739 nan 8.150 nan 0.000 0.444 424 G N 0.039 108.756 108.800 -0.138 0.000 2.396 424 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.214 424 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.214 424 G C 1.587 176.219 174.900 -0.447 0.000 1.166 424 G CA 1.170 46.196 45.100 -0.123 0.000 0.793 424 G HN 0.724 nan 8.290 nan 0.000 0.533 425 K N 1.282 121.271 120.400 -0.684 0.000 2.211 425 K HA -0.099 4.221 4.320 -0.000 0.000 0.203 425 K C 2.329 178.239 176.600 -1.150 0.000 1.050 425 K CA 1.419 56.716 56.287 -1.649 0.000 0.945 425 K CB -0.153 31.560 32.500 -1.311 0.000 0.732 425 K HN 0.287 nan 8.250 nan 0.000 0.451 426 R N 1.171 121.331 120.500 -0.567 0.000 2.189 426 R HA 0.023 4.363 4.340 -0.000 0.000 0.223 426 R C 1.866 178.060 176.300 -0.176 0.000 1.092 426 R CA 1.308 57.237 56.100 -0.286 0.000 0.989 426 R CB -1.119 29.117 30.300 -0.108 0.000 0.876 426 R HN 0.242 nan 8.270 nan 0.000 0.457 427 L N -0.506 120.595 121.223 -0.203 0.000 2.191 427 L HA -0.094 4.246 4.340 -0.000 0.000 0.212 427 L C 1.788 178.794 176.870 0.227 0.000 1.103 427 L CA 0.867 55.720 54.840 0.020 0.000 0.769 427 L CB -0.575 41.520 42.059 0.061 0.000 0.908 427 L HN 0.236 nan 8.230 nan 0.000 0.438 428 W N 0.368 121.735 121.300 0.112 0.000 2.381 428 W HA -0.121 4.539 4.660 0.001 0.000 0.301 428 W C 2.467 179.063 176.519 0.128 0.000 1.205 428 W CA 0.539 58.020 57.345 0.226 0.000 1.285 428 W CB -0.959 28.610 29.460 0.181 0.000 1.133 428 W HN 0.266 nan 8.180 nan 0.000 0.521 429 E N 0.027 120.376 120.200 0.247 0.000 2.072 429 E HA -0.141 4.209 4.350 -0.000 0.000 0.190 429 E C 2.174 178.838 176.600 0.107 0.000 0.982 429 E CA 1.002 57.488 56.400 0.144 0.000 0.803 429 E CB -0.251 29.499 29.700 0.083 0.000 0.755 429 E HN 0.170 nan 8.360 nan 0.000 0.453 430 M N 0.180 119.841 119.600 0.101 0.000 2.144 430 M HA -0.203 4.277 4.480 -0.000 0.000 0.260 430 M C 2.411 178.770 176.300 0.099 0.000 1.067 430 M CA 1.582 56.936 55.300 0.089 0.000 1.095 430 M CB -0.255 32.396 32.600 0.084 0.000 1.365 430 M HN 0.119 nan 8.290 nan 0.000 0.406 431 A N 0.202 123.107 122.820 0.142 0.000 1.930 431 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 431 A C 1.912 179.505 177.584 0.014 0.000 1.175 431 A CA 1.577 53.673 52.037 0.099 0.000 0.627 431 A CB -0.623 18.469 19.000 0.154 0.000 0.815 431 A HN 0.530 nan 8.150 nan 0.000 0.443 432 E N 0.061 120.274 120.200 0.020 0.000 2.085 432 E HA -0.199 4.151 4.350 -0.000 0.000 0.194 432 E C 1.715 178.327 176.600 0.019 0.000 0.994 432 E CA 1.206 57.605 56.400 -0.001 0.000 0.801 432 E CB -0.216 29.501 29.700 0.027 0.000 0.743 432 E HN 0.556 nan 8.360 nan 0.000 0.453 433 N N 0.161 118.884 118.700 0.038 0.000 2.106 433 N HA -0.096 4.644 4.740 -0.000 0.000 0.188 433 N C 1.878 177.411 175.510 0.040 0.000 1.029 433 N CA 1.406 54.479 53.050 0.039 0.000 0.848 433 N CB -0.597 37.917 38.487 0.045 0.000 1.007 433 N HN 0.073 nan 8.380 nan 0.000 0.423 434 T N 0.811 115.392 114.554 0.044 0.000 2.904 434 T HA -0.039 4.311 4.350 -0.000 0.000 0.267 434 T C 1.937 176.660 174.700 0.037 0.000 1.059 434 T CA 0.598 62.725 62.100 0.046 0.000 1.137 434 T CB 0.161 69.062 68.868 0.055 0.000 0.879 434 T HN 0.239 nan 8.240 nan 0.000 0.467 435 R N 0.533 121.046 120.500 0.021 0.000 2.081 435 R HA -0.064 4.276 4.340 -0.000 0.000 0.235 435 R C 2.671 178.997 176.300 0.043 0.000 1.131 435 R CA 1.489 57.599 56.100 0.015 0.000 0.960 435 R CB -0.604 29.681 30.300 -0.025 0.000 0.856 435 R HN 0.432 nan 8.270 nan 0.000 0.436 436 G N -0.049 108.775 108.800 0.040 0.000 2.421 436 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.216 436 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.216 436 G C 1.391 176.333 174.900 0.069 0.000 1.171 436 G CA 0.918 46.050 45.100 0.052 0.000 0.775 436 G HN 0.212 nan 8.290 nan 0.000 0.543 437 V N 1.045 120.996 119.914 0.062 0.000 2.255 437 V HA -0.166 3.954 4.120 -0.000 0.000 0.247 437 V C 2.925 179.075 176.094 0.093 0.000 1.051 437 V CA 1.644 63.986 62.300 0.070 0.000 1.018 437 V CB -0.583 31.276 31.823 0.059 0.000 0.641 437 V HN 0.335 nan 8.190 nan 0.000 0.445 438 L N 0.052 121.325 121.223 0.082 0.000 2.079 438 L HA -0.182 4.158 4.340 -0.000 0.000 0.210 438 L C 2.710 179.685 176.870 0.174 0.000 1.081 438 L CA 1.504 56.398 54.840 0.091 0.000 0.752 438 L CB -0.763 41.316 42.059 0.034 0.000 0.896 438 L HN 0.379 nan 8.230 nan 0.000 0.433 439 A N 0.201 123.135 122.820 0.190 0.000 1.933 439 A HA -0.181 4.139 4.320 -0.000 0.000 0.218 439 A C 2.183 179.931 177.584 0.273 0.000 1.175 439 A CA 1.596 53.803 52.037 0.283 0.000 0.628 439 A CB -0.598 18.520 19.000 0.196 0.000 0.814 439 A HN 0.382 nan 8.150 nan 0.000 0.444 440 I N -0.878 119.816 120.570 0.207 0.000 2.353 440 I HA -0.192 3.978 4.170 -0.000 0.000 0.248 440 I C 2.496 178.774 176.117 0.267 0.000 1.119 440 I CA 1.455 62.891 61.300 0.226 0.000 1.417 440 I CB -0.260 37.832 38.000 0.153 0.000 1.078 440 I HN 0.509 nan 8.210 nan 0.000 0.421 441 E N 0.649 120.980 120.200 0.218 0.000 2.085 441 E HA -0.292 4.058 4.350 -0.000 0.000 0.194 441 E C 2.137 178.901 176.600 0.274 0.000 0.994 441 E CA 1.503 58.023 56.400 0.200 0.000 0.801 441 E CB -0.183 29.603 29.700 0.144 0.000 0.743 441 E HN 0.494 nan 8.360 nan 0.000 0.453 442 W N 1.487 122.836 121.300 0.081 0.000 2.333 442 W HA -0.201 4.459 4.660 -0.000 0.000 0.316 442 W C 1.947 178.526 176.519 0.100 0.000 1.215 442 W CA 1.424 58.811 57.345 0.070 0.000 1.278 442 W CB -0.910 28.583 29.460 0.054 0.000 1.154 442 W HN 0.121 nan 8.180 nan 0.000 0.486 443 L N 0.142 121.513 121.223 0.246 0.000 2.042 443 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 443 L C 2.720 179.754 176.870 0.273 0.000 1.076 443 L CA 1.744 56.703 54.840 0.200 0.000 0.749 443 L CB -1.516 40.724 42.059 0.300 0.000 0.893 443 L HN 0.128 nan 8.230 nan 0.000 0.432 444 G N -0.669 108.285 108.800 0.257 0.000 2.433 444 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.216 444 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.216 444 G C 1.746 176.562 174.900 -0.140 0.000 1.186 444 G CA 0.816 45.823 45.100 -0.155 0.000 0.779 444 G HN 0.474 nan 8.290 nan 0.000 0.543 445 A N -0.164 122.672 122.820 0.027 0.000 1.898 445 A HA -0.043 4.277 4.320 -0.000 0.000 0.216 445 A C 2.576 180.191 177.584 0.052 0.000 1.181 445 A CA 1.766 53.829 52.037 0.044 0.000 0.620 445 A CB -0.953 18.115 19.000 0.113 0.000 0.819 445 A HN 0.424 nan 8.150 nan 0.000 0.442 446 C N -1.191 118.161 119.300 0.086 0.000 2.429 446 C HA -0.082 4.378 4.460 -0.000 0.000 0.277 446 C C 2.839 177.863 174.990 0.057 0.000 1.262 446 C CA 1.373 60.435 59.018 0.073 0.000 1.733 446 C CB -1.053 26.706 27.740 0.032 0.000 2.010 446 C HN 0.793 nan 8.230 nan 0.000 0.483 447 Q N 1.479 121.282 119.800 0.004 0.000 2.002 447 Q HA -0.068 4.272 4.340 -0.000 0.000 0.204 447 Q C 2.246 178.248 176.000 0.004 0.000 0.988 447 Q CA 2.534 58.324 55.803 -0.023 0.000 0.843 447 Q CB -0.906 27.686 28.738 -0.244 0.000 0.908 447 Q HN 0.535 nan 8.270 nan 0.000 0.420 448 G N 0.517 109.267 108.800 -0.083 0.000 2.440 448 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.218 448 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.218 448 G C 1.390 176.292 174.900 0.003 0.000 1.154 448 G CA 1.070 46.136 45.100 -0.057 0.000 0.767 448 G HN 0.384 nan 8.290 nan 0.000 0.552 449 L N 0.218 121.455 121.223 0.023 0.000 2.109 449 L HA -0.013 4.327 4.340 -0.000 0.000 0.207 449 L C 2.440 179.338 176.870 0.047 0.000 1.086 449 L CA 0.815 55.677 54.840 0.036 0.000 0.760 449 L CB -0.291 41.796 42.059 0.048 0.000 0.910 449 L HN 0.075 nan 8.230 nan 0.000 0.437 450 D N 0.290 120.740 120.400 0.083 0.000 2.182 450 D HA -0.172 4.468 4.640 -0.000 0.000 0.201 450 D C 2.209 178.532 176.300 0.039 0.000 0.986 450 D CA 1.223 55.267 54.000 0.074 0.000 0.847 450 D CB -0.109 40.819 40.800 0.213 0.000 0.942 450 D HN 0.292 nan 8.370 nan 0.000 0.467 451 L N 0.149 121.427 121.223 0.091 0.000 2.551 451 L HA 0.006 4.346 4.340 -0.000 0.000 0.228 451 L C 0.852 177.735 176.870 0.022 0.000 1.153 451 L CA 0.464 55.343 54.840 0.065 0.000 0.851 451 L CB -0.042 42.061 42.059 0.074 0.000 0.959 451 L HN -0.179 nan 8.230 nan 0.000 0.451 452 R N 1.311 121.821 120.500 0.016 0.000 3.956 452 R HA 0.116 4.456 4.340 -0.000 0.000 0.237 452 R C -0.377 175.927 176.300 0.006 0.000 1.552 452 R CA -0.607 55.500 56.100 0.010 0.000 1.529 452 R CB -0.050 30.258 30.300 0.013 0.000 1.376 452 R HN -0.056 nan 8.270 nan 0.000 0.733 453 K N 0.987 121.385 120.400 -0.003 0.000 2.401 453 K HA -0.124 4.196 4.320 -0.000 0.000 0.267 453 K C 1.369 177.963 176.600 -0.010 0.000 1.140 453 K CA 1.074 57.351 56.287 -0.018 0.000 1.199 453 K CB -0.535 31.954 32.500 -0.018 0.000 0.822 453 K HN 0.802 nan 8.250 nan 0.000 0.488 454 G N 1.884 110.675 108.800 -0.015 0.000 2.245 454 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.264 454 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.264 454 G C 0.224 175.127 174.900 0.005 0.000 0.985 454 G CA 0.220 45.315 45.100 -0.007 0.000 0.625 454 G HN 0.476 nan 8.290 nan 0.000 0.536 455 L N 0.973 122.203 121.223 0.011 0.000 2.456 455 L HA 0.345 4.685 4.340 -0.000 0.000 0.272 455 L C 0.825 177.710 176.870 0.025 0.000 1.189 455 L CA 0.056 54.908 54.840 0.022 0.000 0.846 455 L CB 0.540 42.617 42.059 0.030 0.000 1.111 455 L HN 0.067 nan 8.230 nan 0.000 0.475 456 K N 1.488 121.904 120.400 0.028 0.000 2.123 456 K HA 0.410 4.730 4.320 -0.000 0.000 0.259 456 K C -0.018 176.604 176.600 0.037 0.000 0.960 456 K CA -0.584 55.721 56.287 0.030 0.000 0.872 456 K CB 2.251 34.766 32.500 0.025 0.000 1.079 456 K HN 0.579 nan 8.250 nan 0.000 0.440 457 T N -0.290 114.288 114.554 0.040 0.000 2.990 457 T HA 0.153 4.503 4.350 -0.000 0.000 0.296 457 T C 0.539 175.260 174.700 0.035 0.000 1.189 457 T CA -0.314 61.812 62.100 0.043 0.000 0.938 457 T CB 0.390 69.287 68.868 0.049 0.000 1.994 457 T HN 0.691 nan 8.240 nan 0.000 0.584 458 S N 0.116 115.835 115.700 0.031 0.000 2.617 458 S HA 0.482 4.952 4.470 -0.000 0.000 0.259 458 S C 1.627 176.239 174.600 0.020 0.000 1.301 458 S CA -0.136 58.077 58.200 0.022 0.000 0.984 458 S CB 0.265 63.473 63.200 0.013 0.000 0.954 458 S HN 0.930 nan 8.310 nan 0.000 0.572 459 A N 1.199 124.027 122.820 0.014 0.000 1.902 459 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 459 A C 2.214 179.805 177.584 0.012 0.000 1.181 459 A CA 1.465 53.510 52.037 0.013 0.000 0.623 459 A CB -0.807 18.199 19.000 0.009 0.000 0.818 459 A HN 0.890 nan 8.150 nan 0.000 0.443 460 K N -0.495 119.906 120.400 0.002 0.000 2.155 460 K HA 0.109 4.429 4.320 -0.000 0.000 0.203 460 K C 1.761 178.363 176.600 0.004 0.000 1.052 460 K CA 0.944 57.228 56.287 -0.005 0.000 0.948 460 K CB -0.250 32.235 32.500 -0.025 0.000 0.728 460 K HN 0.448 nan 8.250 nan 0.000 0.448 461 L N 0.950 122.179 121.223 0.009 0.000 2.156 461 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 461 L C 2.167 179.072 176.870 0.058 0.000 1.095 461 L CA 0.765 55.622 54.840 0.028 0.000 0.770 461 L CB -0.261 41.815 42.059 0.028 0.000 0.914 461 L HN 0.139 nan 8.230 nan 0.000 0.439 462 E N 0.707 120.937 120.200 0.049 0.000 2.153 462 E HA -0.200 4.150 4.350 -0.000 0.000 0.194 462 E C 2.081 178.721 176.600 0.068 0.000 0.988 462 E CA 1.017 57.451 56.400 0.057 0.000 0.811 462 E CB 0.001 29.726 29.700 0.041 0.000 0.746 462 E HN 0.456 nan 8.360 nan 0.000 0.466 463 K N 0.459 120.893 120.400 0.056 0.000 2.097 463 K HA -0.074 4.246 4.320 -0.000 0.000 0.206 463 K C 2.124 178.790 176.600 0.111 0.000 1.049 463 K CA 1.077 57.402 56.287 0.064 0.000 0.933 463 K CB -0.090 32.432 32.500 0.038 0.000 0.717 463 K HN 0.034 nan 8.250 nan 0.000 0.442 464 A N 1.536 124.428 122.820 0.120 0.000 1.902 464 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 464 A C 2.022 179.852 177.584 0.410 0.000 1.181 464 A CA 1.372 53.544 52.037 0.225 0.000 0.623 464 A CB -0.382 18.692 19.000 0.122 0.000 0.818 464 A HN 0.209 nan 8.150 nan 0.000 0.443 465 R N -0.882 119.772 120.500 0.256 0.000 2.081 465 R HA -0.166 4.174 4.340 -0.000 0.000 0.235 465 R C 2.480 178.849 176.300 0.114 0.000 1.131 465 R CA 1.806 58.017 56.100 0.184 0.000 0.960 465 R CB -0.327 30.043 30.300 0.116 0.000 0.856 465 R HN 0.658 nan 8.270 nan 0.000 0.436 466 Q N 0.019 119.883 119.800 0.107 0.000 2.079 466 Q HA -0.083 4.257 4.340 -0.000 0.000 0.200 466 Q C 2.184 178.227 176.000 0.071 0.000 0.974 466 Q CA 1.677 57.520 55.803 0.067 0.000 0.840 466 Q CB -0.137 28.636 28.738 0.059 0.000 0.898 466 Q HN 0.372 nan 8.270 nan 0.000 0.430 467 A N 0.666 123.572 122.820 0.142 0.000 1.908 467 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 467 A C 1.992 179.615 177.584 0.065 0.000 1.181 467 A CA 1.174 53.314 52.037 0.172 0.000 0.627 467 A CB -0.733 18.463 19.000 0.326 0.000 0.818 467 A HN 0.415 nan 8.150 nan 0.000 0.445 468 L N -1.361 119.823 121.223 -0.064 0.000 2.023 468 L HA -0.097 4.243 4.340 -0.000 0.000 0.205 468 L C 2.653 179.371 176.870 -0.253 0.000 1.073 468 L CA 1.154 55.713 54.840 -0.469 0.000 0.745 468 L CB -0.385 41.114 42.059 -0.934 0.000 0.900 468 L HN 0.301 nan 8.230 nan 0.000 0.435 469 R N -0.078 120.340 120.500 -0.137 0.000 2.193 469 R HA -0.115 4.225 4.340 -0.000 0.000 0.229 469 R C 2.349 178.613 176.300 -0.061 0.000 1.110 469 R CA 1.304 57.356 56.100 -0.080 0.000 0.988 469 R CB -0.734 29.549 30.300 -0.028 0.000 0.871 469 R HN 0.534 nan 8.270 nan 0.000 0.458 470 S N 0.283 115.954 115.700 -0.049 0.000 2.442 470 S HA -0.086 4.384 4.470 -0.000 0.000 0.236 470 S C 1.387 175.955 174.600 -0.053 0.000 1.007 470 S CA 0.963 59.142 58.200 -0.035 0.000 0.965 470 S CB 0.113 63.306 63.200 -0.012 0.000 0.773 470 S HN 0.364 nan 8.310 nan 0.000 0.504 471 E N -0.268 119.879 120.200 -0.087 0.000 2.421 471 E HA 0.274 4.624 4.350 -0.000 0.000 0.209 471 E C -0.597 175.932 176.600 -0.118 0.000 0.871 471 E CA 0.172 56.515 56.400 -0.095 0.000 1.064 471 E CB 1.276 30.912 29.700 -0.106 0.000 1.075 471 E HN 0.327 nan 8.360 nan 0.000 0.513 472 V N 1.719 121.547 119.914 -0.144 0.000 2.525 472 V HA 0.479 4.599 4.120 -0.000 0.000 0.299 472 V C -0.239 175.791 176.094 -0.108 0.000 1.034 472 V CA -0.836 61.372 62.300 -0.152 0.000 0.863 472 V CB 1.490 33.186 31.823 -0.212 0.000 0.999 472 V HN 0.173 nan 8.190 nan 0.000 0.423 473 A N 2.732 125.504 122.820 -0.082 0.000 2.287 473 A HA 0.559 4.879 4.320 -0.000 0.000 0.273 473 A C 0.069 177.667 177.584 0.022 0.000 1.091 473 A CA -0.223 51.800 52.037 -0.024 0.000 0.817 473 A CB -0.031 18.954 19.000 -0.026 0.000 1.069 473 A HN 1.061 nan 8.150 nan 0.000 0.492 474 H N -0.688 118.377 119.070 -0.009 0.000 3.092 474 H HA -0.031 4.525 4.556 -0.000 0.000 0.332 474 H C -0.786 174.589 175.328 0.079 0.000 1.029 474 H CA 1.356 57.432 56.048 0.046 0.000 1.376 474 H CB -0.044 29.737 29.762 0.033 0.000 1.329 474 H HN 0.511 nan 8.280 nan 0.000 0.598 475 Y N 6.340 126.344 120.300 -0.493 0.000 2.600 475 Y HA 0.061 4.611 4.550 0.000 0.000 0.351 475 Y C 0.577 176.356 175.900 -0.202 0.000 1.042 475 Y CA -0.199 57.746 58.100 -0.257 0.000 1.333 475 Y CB 0.052 38.465 38.460 -0.078 0.000 1.172 475 Y HN 0.801 nan 8.280 nan 0.000 0.517 476 D N 5.216 125.551 120.400 -0.110 0.000 2.119 476 D HA -0.054 4.586 4.640 -0.000 0.000 0.231 476 D C 0.151 176.441 176.300 -0.018 0.000 0.999 476 D CA 0.432 54.457 54.000 0.041 0.000 0.915 476 D CB -0.028 40.802 40.800 0.050 0.000 1.017 476 D HN 0.460 nan 8.370 nan 0.000 0.437 477 R N 1.350 121.769 120.500 -0.135 0.000 2.532 477 R HA 0.290 4.630 4.340 -0.000 0.000 0.272 477 R C -0.457 175.667 176.300 -0.294 0.000 1.032 477 R CA -0.773 55.266 56.100 -0.102 0.000 1.089 477 R CB 0.616 30.880 30.300 -0.059 0.000 1.098 477 R HN -0.053 nan 8.270 nan 0.000 0.526 478 D N 1.874 122.248 120.400 -0.044 0.000 2.571 478 D HA -0.034 4.606 4.640 -0.000 0.000 0.231 478 D C 0.333 176.569 176.300 -0.106 0.000 1.133 478 D CA 0.902 54.933 54.000 0.051 0.000 0.862 478 D CB 0.560 41.462 40.800 0.170 0.000 1.179 478 D HN 0.523 nan 8.370 nan 0.000 0.474 479 R N 0.798 121.247 120.500 -0.085 0.000 2.752 479 R HA 0.385 4.725 4.340 -0.000 0.000 0.271 479 R C -0.672 175.725 176.300 0.161 0.000 1.026 479 R CA -0.969 55.104 56.100 -0.045 0.000 0.901 479 R CB 0.362 30.537 30.300 -0.208 0.000 1.243 479 R HN 0.118 nan 8.270 nan 0.000 0.463 480 F N 2.401 122.340 119.950 -0.018 0.000 2.539 480 F HA 0.069 4.596 4.527 -0.000 0.000 0.393 480 F C 0.276 176.097 175.800 0.034 0.000 1.032 480 F CA -0.930 57.084 58.000 0.024 0.000 1.120 480 F CB -0.130 38.866 39.000 -0.007 0.000 1.014 480 F HN 0.646 nan 8.300 nan 0.000 0.546 481 F N 5.182 125.214 119.950 0.137 0.000 2.149 481 F HA -0.005 4.522 4.527 -0.000 0.000 0.294 481 F C 2.190 177.814 175.800 -0.292 0.000 1.095 481 F CA 1.754 59.711 58.000 -0.072 0.000 1.276 481 F CB -0.522 38.433 39.000 -0.075 0.000 1.023 481 F HN 0.568 nan 8.300 nan 0.000 0.480 482 A N 0.848 123.570 122.820 -0.164 0.000 1.903 482 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 482 A C -0.230 177.140 177.584 -0.356 0.000 1.191 482 A CA 2.213 54.118 52.037 -0.221 0.000 0.638 482 A CB -2.240 16.648 19.000 -0.188 0.000 0.823 482 A HN 0.311 nan 8.150 nan 0.000 0.451 483 P HA -0.128 nan 4.420 nan 0.000 0.218 483 P C 0.376 177.510 177.300 -0.276 0.000 1.146 483 P CA 1.499 64.361 63.100 -0.396 0.000 0.813 483 P CB -0.121 31.314 31.700 -0.441 0.000 0.778 484 D N -0.849 119.360 120.400 -0.318 0.000 2.097 484 D HA -0.093 4.547 4.640 -0.000 0.000 0.197 484 D C 1.986 178.183 176.300 -0.173 0.000 0.984 484 D CA 0.972 54.800 54.000 -0.288 0.000 0.826 484 D CB -0.694 39.820 40.800 -0.476 0.000 0.973 484 D HN 0.189 nan 8.370 nan 0.000 0.460 485 I N 1.003 121.517 120.570 -0.093 0.000 2.226 485 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 485 I C 2.197 178.302 176.117 -0.021 0.000 1.100 485 I CA 1.075 62.376 61.300 0.001 0.000 1.374 485 I CB -0.309 37.730 38.000 0.064 0.000 1.057 485 I HN 0.004 nan 8.210 nan 0.000 0.413 486 E N 1.104 121.269 120.200 -0.057 0.000 2.070 486 E HA -0.268 4.082 4.350 -0.000 0.000 0.197 486 E C 2.196 178.772 176.600 -0.041 0.000 1.004 486 E CA 1.438 57.810 56.400 -0.047 0.000 0.805 486 E CB -0.069 29.588 29.700 -0.071 0.000 0.744 486 E HN 0.435 nan 8.360 nan 0.000 0.451 487 K N 0.243 120.599 120.400 -0.073 0.000 2.057 487 K HA -0.094 4.226 4.320 -0.000 0.000 0.206 487 K C 2.181 178.755 176.600 -0.043 0.000 1.050 487 K CA 1.018 57.263 56.287 -0.069 0.000 0.935 487 K CB -0.112 32.321 32.500 -0.111 0.000 0.715 487 K HN 0.058 nan 8.250 nan 0.000 0.439 488 A N 0.927 123.715 122.820 -0.054 0.000 1.902 488 A HA -0.126 4.193 4.320 -0.000 0.000 0.217 488 A C 2.342 180.034 177.584 0.180 0.000 1.181 488 A CA 1.400 53.450 52.037 0.021 0.000 0.623 488 A CB -0.662 18.343 19.000 0.009 0.000 0.818 488 A HN 0.071 nan 8.150 nan 0.000 0.443 489 V N 0.101 120.075 119.914 0.101 0.000 2.295 489 V HA -0.255 3.865 4.120 -0.000 0.000 0.246 489 V C 2.634 178.769 176.094 0.069 0.000 1.049 489 V CA 2.486 64.838 62.300 0.087 0.000 1.024 489 V CB -0.700 31.147 31.823 0.040 0.000 0.648 489 V HN 0.749 nan 8.190 nan 0.000 0.447 490 E N 0.288 120.515 120.200 0.045 0.000 2.110 490 E HA -0.199 4.151 4.350 -0.000 0.000 0.193 490 E C 2.028 178.665 176.600 0.062 0.000 0.988 490 E CA 1.426 57.844 56.400 0.030 0.000 0.804 490 E CB -0.413 29.291 29.700 0.008 0.000 0.745 490 E HN 0.545 nan 8.360 nan 0.000 0.458 491 L N -0.137 121.156 121.223 0.116 0.000 2.017 491 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 491 L C 2.501 179.481 176.870 0.183 0.000 1.073 491 L CA 1.151 56.103 54.840 0.188 0.000 0.745 491 L CB -0.360 41.888 42.059 0.314 0.000 0.894 491 L HN 0.251 nan 8.230 nan 0.000 0.432 492 L N -0.814 120.529 121.223 0.201 0.000 2.083 492 L HA -0.211 4.129 4.340 -0.000 0.000 0.209 492 L C 2.783 179.662 176.870 0.015 0.000 1.083 492 L CA 1.139 56.017 54.840 0.063 0.000 0.752 492 L CB -0.746 41.347 42.059 0.056 0.000 0.899 492 L HN 0.268 nan 8.230 nan 0.000 0.433 493 A N -0.186 122.643 122.820 0.016 0.000 1.969 493 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 493 A C 2.147 179.730 177.584 -0.001 0.000 1.169 493 A CA 1.292 53.316 52.037 -0.022 0.000 0.635 493 A CB -0.244 18.733 19.000 -0.038 0.000 0.810 493 A HN 0.310 nan 8.150 nan 0.000 0.445 494 K N -1.146 119.263 120.400 0.015 0.000 2.444 494 K HA 0.192 4.511 4.320 -0.000 0.000 0.193 494 K C 0.875 177.484 176.600 0.014 0.000 1.024 494 K CA 0.453 56.749 56.287 0.014 0.000 1.077 494 K CB -0.091 32.422 32.500 0.021 0.000 0.833 494 K HN 0.635 nan 8.250 nan 0.000 0.517 495 G N 1.444 110.249 108.800 0.010 0.000 2.176 495 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.252 495 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.252 495 G C 0.780 175.671 174.900 -0.016 0.000 1.024 495 G CA 0.559 45.655 45.100 -0.006 0.000 0.755 495 G HN 0.277 nan 8.290 nan 0.000 0.507 496 S N -0.634 115.069 115.700 0.005 0.000 2.402 496 S HA -0.083 4.386 4.470 -0.000 0.000 0.233 496 S C 2.127 176.704 174.600 -0.039 0.000 1.030 496 S CA 1.500 59.717 58.200 0.028 0.000 1.003 496 S CB -0.099 63.192 63.200 0.152 0.000 0.813 496 S HN 0.568 nan 8.310 nan 0.000 0.477 497 L N 0.391 121.528 121.223 -0.143 0.000 2.616 497 L HA 0.114 4.454 4.340 -0.000 0.000 0.229 497 L C 2.061 178.849 176.870 -0.137 0.000 1.110 497 L CA 0.317 55.037 54.840 -0.200 0.000 0.884 497 L CB -0.465 41.353 42.059 -0.403 0.000 1.115 497 L HN 0.204 nan 8.230 nan 0.000 0.481 498 T N 0.190 114.689 114.554 -0.091 0.000 2.788 498 T HA -0.128 4.222 4.350 -0.000 0.000 0.268 498 T C 1.910 176.581 174.700 -0.048 0.000 1.044 498 T CA 1.511 63.576 62.100 -0.059 0.000 1.139 498 T CB -0.266 68.585 68.868 -0.027 0.000 0.867 498 T HN 0.544 nan 8.240 nan 0.000 0.454 499 G N 1.072 109.847 108.800 -0.043 0.000 2.498 499 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.219 499 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.219 499 G C 1.396 176.272 174.900 -0.040 0.000 1.119 499 G CA 0.227 45.307 45.100 -0.033 0.000 0.766 499 G HN 0.449 nan 8.290 nan 0.000 0.552 500 L N -0.577 120.610 121.223 -0.059 0.000 2.217 500 L HA 0.148 4.488 4.340 -0.000 0.000 0.211 500 L C 1.220 178.048 176.870 -0.070 0.000 1.107 500 L CA -0.320 54.481 54.840 -0.065 0.000 0.783 500 L CB -0.313 41.692 42.059 -0.089 0.000 0.919 500 L HN 0.162 nan 8.230 nan 0.000 0.442 501 L N 1.160 122.340 121.223 -0.071 0.000 2.416 501 L HA 0.214 4.554 4.340 -0.000 0.000 0.272 501 L C -1.932 174.915 176.870 -0.038 0.000 1.161 501 L CA -1.393 53.409 54.840 -0.064 0.000 0.845 501 L CB 0.065 42.102 42.059 -0.037 0.000 1.119 501 L HN -0.212 nan 8.230 nan 0.000 0.464 502 P HA 0.080 nan 4.420 nan 0.000 0.264 502 P C -0.928 176.364 177.300 -0.012 0.000 1.183 502 P CA -0.058 63.029 63.100 -0.021 0.000 0.763 502 P CB 0.362 32.051 31.700 -0.019 0.000 0.807 503 A N 3.089 125.902 122.820 -0.011 0.000 2.466 503 A HA 0.444 4.764 4.320 -0.000 0.000 0.238 503 A C 1.505 179.085 177.584 -0.007 0.000 1.074 503 A CA 0.452 52.484 52.037 -0.009 0.000 0.774 503 A CB -1.045 17.950 19.000 -0.008 0.000 1.015 503 A HN 0.903 nan 8.150 nan 0.000 0.498 504 G N -0.080 108.715 108.800 -0.008 0.000 2.179 504 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.257 504 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.257 504 G C 0.583 175.473 174.900 -0.016 0.000 1.010 504 G CA 0.594 45.688 45.100 -0.010 0.000 0.736 504 G HN 1.191 nan 8.290 nan 0.000 0.513 505 V N -0.391 119.511 119.914 -0.020 0.000 2.492 505 V HA 0.323 4.443 4.120 -0.000 0.000 0.241 505 V C 1.647 177.693 176.094 -0.081 0.000 1.041 505 V CA 1.286 63.564 62.300 -0.037 0.000 1.057 505 V CB -0.043 31.774 31.823 -0.010 0.000 0.711 505 V HN 0.348 nan 8.190 nan 0.000 0.468 506 L N 0.709 121.890 121.223 -0.069 0.000 2.334 506 L HA 0.276 4.616 4.340 -0.000 0.000 0.277 506 L C -1.396 175.452 176.870 -0.037 0.000 1.075 506 L CA -1.565 53.222 54.840 -0.089 0.000 0.804 506 L CB 1.106 43.130 42.059 -0.057 0.000 1.174 506 L HN 0.027 nan 8.230 nan 0.000 0.438 507 P HA -0.214 nan 4.420 nan 0.000 0.216 507 P C 1.116 178.436 177.300 0.033 0.000 1.157 507 P CA 1.416 64.516 63.100 -0.001 0.000 0.880 507 P CB 0.204 31.905 31.700 0.001 0.000 0.791 508 S N -3.031 112.711 115.700 0.070 0.000 2.557 508 S HA 0.229 4.699 4.470 -0.000 0.000 0.223 508 S C 0.432 175.042 174.600 0.017 0.000 0.969 508 S CA -0.284 57.962 58.200 0.077 0.000 0.927 508 S CB -0.760 62.551 63.200 0.186 0.000 0.806 508 S HN -0.067 nan 8.310 nan 0.000 0.489 509 L N 0.000 121.229 121.223 0.011 0.000 2.949 509 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 509 L CA 0.000 54.837 54.840 -0.005 0.000 0.813 509 L CB 0.000 42.060 42.059 0.002 0.000 0.961 509 L HN 0.000 nan 8.230 nan 0.000 0.502