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 2vmt_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKYLPQQDPQ VFAAIEQERK RQHAKIELIA SENFVSRAVM EAQGSVLTNK DATA SEQUENCE YAEGYPGRRA YGGCEYVDIV EELARERAKQ LFGAEHANVQ PHSGAQANMA DATA SEQUENCE VYFTVLEHGD TVLGMNLSHG GHLTHGSPVN FSGVQYNFVA YGVDPETHVI DATA SEQUENCE DYDDVREKAR LHRPKLIVAA ASAYPRIIDF AKFREIADEV GAYLMVDMAH DATA SEQUENCE IAGLVAAGLH PNPVPYAHFV TTTTHKTLRG PRGGMILCQE QFAKQIDKAI DATA SEQUENCE FPGIQGGPLM HVIAAKAVAF GEALQDDFKA YAKRVVDNAK RLASALQNEG DATA SEQUENCE FTLVSGGTDN HLLLVDLRPQ QLTGKTAEKV LDEVGITVNK NTIPYDPESP DATA SEQUENCE FVTSGIRIGT AAVTTRGFGL EEMDEIAAII GLVLKNVGSE QALEEARQRV DATA SEQUENCE AALTD 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.215 176.300 -0.142 0.000 1.140 1 M CA 0.000 55.292 55.300 -0.014 0.000 0.988 1 M CB 0.000 32.613 32.600 0.022 0.000 1.302 2 K N 0.331 120.629 120.400 -0.170 0.000 2.403 2 K HA 0.245 4.580 4.320 0.026 0.000 0.199 2 K C 0.609 176.913 176.600 -0.494 0.000 1.199 2 K CA 0.690 56.744 56.287 -0.388 0.000 0.924 2 K CB 0.545 32.716 32.500 -0.548 0.000 1.137 2 K HN 0.655 nan 8.250 nan 0.000 0.510 3 Y N 0.070 120.290 120.300 -0.132 0.000 2.441 3 Y HA 0.055 4.609 4.550 0.008 0.000 0.288 3 Y C 1.804 177.621 175.900 -0.139 0.000 1.118 3 Y CA 0.017 58.047 58.100 -0.115 0.000 1.215 3 Y CB -0.019 38.396 38.460 -0.076 0.000 1.118 3 Y HN -0.010 nan 8.280 nan 0.000 0.547 4 L N 1.559 122.780 121.223 -0.004 0.000 2.042 4 L HA -0.082 4.274 4.340 0.026 0.000 0.210 4 L C -0.942 175.810 176.870 -0.197 0.000 1.076 4 L CA 2.016 56.825 54.840 -0.052 0.000 0.749 4 L CB -1.574 40.499 42.059 0.023 0.000 0.893 4 L HN -0.004 nan 8.230 nan 0.000 0.432 5 P HA -0.213 nan 4.420 nan 0.000 0.216 5 P C 1.433 178.585 177.300 -0.246 0.000 1.150 5 P CA 1.409 64.090 63.100 -0.698 0.000 0.837 5 P CB 0.056 31.146 31.700 -1.016 0.000 0.786 6 Q N -0.349 119.338 119.800 -0.189 0.000 2.096 6 Q HA -0.172 4.184 4.340 0.026 0.000 0.197 6 Q C 2.319 178.296 176.000 -0.038 0.000 0.964 6 Q CA 1.535 57.282 55.803 -0.093 0.000 0.838 6 Q CB -0.899 27.786 28.738 -0.088 0.000 0.906 6 Q HN 0.006 nan 8.270 nan 0.000 0.444 7 Q N 0.313 120.101 119.800 -0.021 0.000 2.079 7 Q HA -0.054 4.301 4.340 0.026 0.000 0.200 7 Q C -0.313 175.695 176.000 0.013 0.000 0.974 7 Q CA 1.679 57.486 55.803 0.007 0.000 0.840 7 Q CB 0.222 28.973 28.738 0.023 0.000 0.898 7 Q HN 0.261 nan 8.270 nan 0.000 0.430 8 D N -1.291 119.123 120.400 0.022 0.000 2.517 8 D HA 0.213 4.869 4.640 0.026 0.000 0.263 8 D C -2.235 174.121 176.300 0.092 0.000 1.233 8 D CA -1.757 52.273 54.000 0.050 0.000 0.849 8 D CB 1.300 42.133 40.800 0.055 0.000 1.261 8 D HN -0.019 nan 8.370 nan 0.000 0.516 9 P HA -0.157 nan 4.420 nan 0.000 0.216 9 P C 1.437 178.816 177.300 0.132 0.000 1.153 9 P CA 1.252 64.428 63.100 0.127 0.000 0.858 9 P CB 0.554 32.300 31.700 0.077 0.000 0.789 10 Q N -0.792 119.057 119.800 0.082 0.000 2.020 10 Q HA -0.117 4.239 4.340 0.026 0.000 0.202 10 Q C 2.139 178.175 176.000 0.061 0.000 0.982 10 Q CA 1.455 57.292 55.803 0.057 0.000 0.838 10 Q CB -0.850 27.911 28.738 0.038 0.000 0.899 10 Q HN 0.097 nan 8.270 nan 0.000 0.423 11 V N 0.554 120.515 119.914 0.078 0.000 2.295 11 V HA -0.247 3.888 4.120 0.026 0.000 0.246 11 V C 1.954 178.113 176.094 0.108 0.000 1.049 11 V CA 1.774 64.120 62.300 0.077 0.000 1.024 11 V CB -0.626 31.243 31.823 0.076 0.000 0.648 11 V HN 0.316 nan 8.190 nan 0.000 0.447 12 F N 1.582 121.535 119.950 0.005 0.000 2.126 12 F HA -0.174 4.359 4.527 0.010 0.000 0.299 12 F C 2.292 178.093 175.800 0.002 0.000 1.096 12 F CA 1.355 59.357 58.000 0.004 0.000 1.255 12 F CB -0.695 38.306 39.000 0.002 0.000 0.997 12 F HN 0.076 nan 8.300 nan 0.000 0.479 13 A N 0.298 123.073 122.820 -0.075 0.000 1.908 13 A HA -0.095 4.241 4.320 0.026 0.000 0.218 13 A C 2.432 179.916 177.584 -0.167 0.000 1.181 13 A CA 2.031 53.972 52.037 -0.160 0.000 0.627 13 A CB -1.575 17.407 19.000 -0.030 0.000 0.818 13 A HN 0.507 nan 8.150 nan 0.000 0.445 14 A N -0.239 122.525 122.820 -0.093 0.000 1.898 14 A HA -0.024 4.312 4.320 0.026 0.000 0.216 14 A C 2.119 179.647 177.584 -0.095 0.000 1.181 14 A CA 1.387 53.381 52.037 -0.070 0.000 0.620 14 A CB -0.566 18.417 19.000 -0.028 0.000 0.819 14 A HN 0.487 nan 8.150 nan 0.000 0.442 15 I N -0.298 120.203 120.570 -0.115 0.000 2.208 15 I HA -0.231 3.955 4.170 0.026 0.000 0.245 15 I C 2.464 178.471 176.117 -0.184 0.000 1.097 15 I CA 1.292 62.525 61.300 -0.112 0.000 1.363 15 I CB -0.306 37.660 38.000 -0.057 0.000 1.051 15 I HN 0.312 nan 8.210 nan 0.000 0.413 16 E N 0.563 120.550 120.200 -0.354 0.000 2.106 16 E HA -0.235 4.130 4.350 0.026 0.000 0.192 16 E C 2.156 178.646 176.600 -0.184 0.000 0.984 16 E CA 1.151 57.343 56.400 -0.348 0.000 0.806 16 E CB -0.257 29.104 29.700 -0.566 0.000 0.750 16 E HN 0.593 nan 8.360 nan 0.000 0.458 17 Q N 0.341 120.052 119.800 -0.148 0.000 2.096 17 Q HA -0.220 4.136 4.340 0.026 0.000 0.204 17 Q C 2.143 178.113 176.000 -0.050 0.000 0.982 17 Q CA 1.710 57.465 55.803 -0.081 0.000 0.850 17 Q CB -0.113 28.588 28.738 -0.062 0.000 0.901 17 Q HN 0.100 nan 8.270 nan 0.000 0.422 18 E N 1.009 121.180 120.200 -0.049 0.000 2.072 18 E HA -0.184 4.182 4.350 0.026 0.000 0.191 18 E C 1.820 178.418 176.600 -0.002 0.000 0.985 18 E CA 1.254 57.645 56.400 -0.015 0.000 0.801 18 E CB -0.062 29.631 29.700 -0.011 0.000 0.750 18 E HN 0.169 nan 8.360 nan 0.000 0.452 19 R N 0.202 120.685 120.500 -0.028 0.000 2.081 19 R HA -0.129 4.226 4.340 0.026 0.000 0.235 19 R C 2.111 178.404 176.300 -0.012 0.000 1.131 19 R CA 1.884 57.971 56.100 -0.022 0.000 0.960 19 R CB -0.053 30.216 30.300 -0.052 0.000 0.856 19 R HN 0.072 nan 8.270 nan 0.000 0.436 20 K N -0.296 120.090 120.400 -0.023 0.000 2.097 20 K HA -0.120 4.215 4.320 0.026 0.000 0.205 20 K C 2.256 178.885 176.600 0.049 0.000 1.050 20 K CA 1.101 57.391 56.287 0.005 0.000 0.938 20 K CB -0.164 32.325 32.500 -0.019 0.000 0.718 20 K HN 0.114 nan 8.250 nan 0.000 0.442 21 R N 1.503 122.021 120.500 0.030 0.000 2.083 21 R HA -0.187 4.169 4.340 0.026 0.000 0.237 21 R C 2.077 178.413 176.300 0.059 0.000 1.137 21 R CA 1.744 57.868 56.100 0.040 0.000 0.951 21 R CB -0.053 30.265 30.300 0.030 0.000 0.851 21 R HN 0.297 nan 8.270 nan 0.000 0.434 22 Q N -1.388 118.455 119.800 0.072 0.000 2.170 22 Q HA -0.229 4.127 4.340 0.026 0.000 0.203 22 Q C 1.863 177.860 176.000 -0.005 0.000 0.976 22 Q CA 1.829 57.694 55.803 0.104 0.000 0.858 22 Q CB -0.148 28.680 28.738 0.151 0.000 0.907 22 Q HN 0.549 nan 8.270 nan 0.000 0.433 23 H N -0.282 118.729 119.070 -0.098 0.000 2.403 23 H HA 0.103 4.674 4.556 0.026 0.000 0.298 23 H C 1.800 177.102 175.328 -0.044 0.000 1.059 23 H CA 1.337 57.314 56.048 -0.119 0.000 1.363 23 H CB 0.114 29.815 29.762 -0.101 0.000 1.410 23 H HN 0.201 nan 8.280 nan 0.000 0.528 24 A N 0.956 123.764 122.820 -0.021 0.000 1.970 24 A HA 0.053 4.388 4.320 0.026 0.000 0.216 24 A C 0.961 178.519 177.584 -0.042 0.000 1.170 24 A CA 0.470 52.486 52.037 -0.034 0.000 0.645 24 A CB 0.017 19.045 19.000 0.048 0.000 0.816 24 A HN 0.159 nan 8.150 nan 0.000 0.447 25 K N -0.116 120.276 120.400 -0.013 0.000 2.098 25 K HA 0.483 4.819 4.320 0.026 0.000 0.257 25 K C -0.692 175.913 176.600 0.009 0.000 0.999 25 K CA -0.359 55.936 56.287 0.013 0.000 0.924 25 K CB 0.988 33.508 32.500 0.034 0.000 1.028 25 K HN 0.246 nan 8.250 nan 0.000 0.466 26 I N 2.143 122.730 120.570 0.028 0.000 2.291 26 I HA 0.016 4.202 4.170 0.026 0.000 0.292 26 I C 0.411 176.538 176.117 0.018 0.000 1.064 26 I CA -0.529 60.785 61.300 0.024 0.000 1.269 26 I CB 0.569 38.619 38.000 0.084 0.000 1.418 26 I HN 0.415 nan 8.210 nan 0.000 0.485 27 E N 7.418 127.628 120.200 0.016 0.000 2.052 27 E HA 0.231 4.597 4.350 0.026 0.000 0.283 27 E C -0.144 176.445 176.600 -0.018 0.000 1.071 27 E CA 0.126 56.537 56.400 0.019 0.000 0.851 27 E CB 0.580 30.316 29.700 0.060 0.000 1.066 27 E HN 0.581 nan 8.360 nan 0.000 0.396 28 L N 4.986 126.202 121.223 -0.011 0.000 2.906 28 L HA 0.356 4.711 4.340 0.026 0.000 0.255 28 L C 0.281 177.146 176.870 -0.008 0.000 1.166 28 L CA -0.391 54.442 54.840 -0.012 0.000 0.977 28 L CB 0.152 42.206 42.059 -0.009 0.000 1.313 28 L HN 0.540 nan 8.230 nan 0.000 0.549 29 I N 1.201 121.765 120.570 -0.010 0.000 2.662 29 I HA -0.082 4.104 4.170 0.026 0.000 0.285 29 I C 1.645 177.782 176.117 0.033 0.000 1.161 29 I CA 0.037 61.342 61.300 0.008 0.000 1.415 29 I CB 1.369 39.371 38.000 0.003 0.000 1.385 29 I HN 0.179 nan 8.210 nan 0.000 0.552 30 A N 4.659 127.529 122.820 0.084 0.000 2.070 30 A HA -0.152 4.184 4.320 0.026 0.000 0.220 30 A C 2.141 179.873 177.584 0.245 0.000 1.159 30 A CA 1.830 53.973 52.037 0.177 0.000 0.656 30 A CB -0.405 18.691 19.000 0.159 0.000 0.800 30 A HN 0.807 nan 8.150 nan 0.000 0.453 31 S N -0.931 114.855 115.700 0.144 0.000 2.575 31 S HA 0.174 4.660 4.470 0.026 0.000 0.215 31 S C 0.403 174.968 174.600 -0.059 0.000 0.966 31 S CA -0.267 57.897 58.200 -0.061 0.000 0.911 31 S CB 0.055 63.230 63.200 -0.041 0.000 0.780 31 S HN 0.618 nan 8.310 nan 0.000 0.514 32 E N 1.079 121.250 120.200 -0.049 0.000 2.232 32 E HA 0.556 4.922 4.350 0.026 0.000 0.265 32 E C -0.619 175.856 176.600 -0.208 0.000 1.001 32 E CA -0.766 55.559 56.400 -0.125 0.000 0.870 32 E CB 0.798 30.400 29.700 -0.163 0.000 1.175 32 E HN 0.153 nan 8.360 nan 0.000 0.407 33 N N 0.040 118.541 118.700 -0.332 0.000 3.179 33 N HA 0.341 5.096 4.740 0.026 0.000 0.250 33 N C -1.959 173.197 175.510 -0.591 0.000 1.507 33 N CA -0.554 52.259 53.050 -0.396 0.000 0.883 33 N CB 0.939 39.372 38.487 -0.090 0.000 1.435 33 N HN 0.211 nan 8.380 nan 0.000 0.532 34 F N 1.077 121.035 119.950 0.014 0.000 2.460 34 F HA 0.369 4.907 4.527 0.019 0.000 0.341 34 F C 0.695 176.490 175.800 -0.009 0.000 1.130 34 F CA -0.881 57.118 58.000 -0.002 0.000 0.962 34 F CB 1.166 40.158 39.000 -0.014 0.000 1.171 34 F HN 0.150 nan 8.300 nan 0.000 0.436 35 V N 0.495 120.501 119.914 0.154 0.000 3.003 35 V HA 0.605 4.741 4.120 0.026 0.000 0.305 35 V C 0.447 176.584 176.094 0.072 0.000 1.078 35 V CA -0.825 61.525 62.300 0.083 0.000 1.083 35 V CB 1.045 32.898 31.823 0.049 0.000 1.039 35 V HN 0.836 nan 8.190 nan 0.000 0.481 36 S N 3.023 118.745 115.700 0.037 0.000 2.600 36 S HA 0.307 4.793 4.470 0.026 0.000 0.265 36 S C 0.929 175.541 174.600 0.020 0.000 1.325 36 S CA -0.096 58.118 58.200 0.023 0.000 1.002 36 S CB 0.616 63.822 63.200 0.010 0.000 0.921 36 S HN 0.771 nan 8.310 nan 0.000 0.554 37 R N 0.904 121.413 120.500 0.014 0.000 2.120 37 R HA -0.075 4.281 4.340 0.026 0.000 0.234 37 R C 2.580 178.884 176.300 0.007 0.000 1.123 37 R CA 1.322 57.429 56.100 0.012 0.000 0.975 37 R CB -0.979 29.327 30.300 0.009 0.000 0.866 37 R HN 0.829 nan 8.270 nan 0.000 0.446 38 A N 0.670 123.491 122.820 0.002 0.000 1.902 38 A HA -0.126 4.210 4.320 0.026 0.000 0.217 38 A C 2.338 179.915 177.584 -0.012 0.000 1.181 38 A CA 1.405 53.439 52.037 -0.005 0.000 0.623 38 A CB -0.544 18.451 19.000 -0.008 0.000 0.818 38 A HN 0.118 nan 8.150 nan 0.000 0.443 39 V N -0.089 119.817 119.914 -0.014 0.000 2.295 39 V HA -0.331 3.805 4.120 0.026 0.000 0.246 39 V C 2.663 178.748 176.094 -0.014 0.000 1.049 39 V CA 2.323 64.607 62.300 -0.027 0.000 1.024 39 V CB -0.672 31.135 31.823 -0.027 0.000 0.648 39 V HN 0.582 nan 8.190 nan 0.000 0.447 40 M N -0.793 118.809 119.600 0.003 0.000 2.117 40 M HA -0.209 4.287 4.480 0.026 0.000 0.262 40 M C 2.224 178.533 176.300 0.015 0.000 1.065 40 M CA 1.869 57.177 55.300 0.013 0.000 1.114 40 M CB -0.545 32.069 32.600 0.023 0.000 1.361 40 M HN 0.375 nan 8.290 nan 0.000 0.408 41 E N 0.382 120.588 120.200 0.011 0.000 2.085 41 E HA -0.190 4.175 4.350 0.026 0.000 0.194 41 E C 2.085 178.690 176.600 0.008 0.000 0.994 41 E CA 1.303 57.709 56.400 0.010 0.000 0.801 41 E CB -0.174 29.530 29.700 0.006 0.000 0.743 41 E HN 0.519 nan 8.360 nan 0.000 0.453 42 A N 1.422 124.242 122.820 0.001 0.000 1.902 42 A HA -0.250 4.086 4.320 0.026 0.000 0.217 42 A C 2.059 179.662 177.584 0.032 0.000 1.181 42 A CA 1.364 53.402 52.037 0.002 0.000 0.623 42 A CB -0.439 18.546 19.000 -0.024 0.000 0.818 42 A HN 0.196 nan 8.150 nan 0.000 0.443 43 Q N -0.971 118.849 119.800 0.033 0.000 2.226 43 Q HA -0.100 4.256 4.340 0.026 0.000 0.204 43 Q C 1.712 177.783 176.000 0.118 0.000 0.975 43 Q CA 1.097 56.954 55.803 0.090 0.000 0.866 43 Q CB -0.311 28.455 28.738 0.048 0.000 0.915 43 Q HN 0.658 nan 8.270 nan 0.000 0.440 44 G N 1.148 109.978 108.800 0.049 0.000 3.314 44 G HA2 0.047 4.022 3.960 0.026 0.000 0.238 44 G HA3 0.047 4.022 3.960 0.026 0.000 0.238 44 G C 0.335 175.226 174.900 -0.015 0.000 1.184 44 G CA 0.027 45.136 45.100 0.015 0.000 0.806 44 G HN 0.264 nan 8.290 nan 0.000 0.536 45 S N -0.746 114.950 115.700 -0.007 0.000 2.669 45 S HA 0.281 4.767 4.470 0.026 0.000 0.270 45 S C 1.571 176.127 174.600 -0.073 0.000 1.225 45 S CA 0.048 58.232 58.200 -0.026 0.000 0.991 45 S CB 1.525 64.725 63.200 0.000 0.000 0.987 45 S HN 0.543 nan 8.310 nan 0.000 0.552 46 V N -0.726 119.149 119.914 -0.065 0.000 3.383 46 V HA 0.036 4.172 4.120 0.026 0.000 0.272 46 V C 1.664 177.712 176.094 -0.077 0.000 1.181 46 V CA 0.849 63.100 62.300 -0.082 0.000 1.171 46 V CB -1.411 30.376 31.823 -0.060 0.000 0.800 46 V HN 0.686 nan 8.190 nan 0.000 0.515 47 L N 0.993 122.189 121.223 -0.046 0.000 2.353 47 L HA -0.088 4.268 4.340 0.026 0.000 0.220 47 L C 2.747 179.591 176.870 -0.042 0.000 1.133 47 L CA 2.272 57.110 54.840 -0.003 0.000 0.798 47 L CB -1.348 40.748 42.059 0.062 0.000 0.922 47 L HN 0.532 nan 8.230 nan 0.000 0.445 48 T N -1.020 113.374 114.554 -0.268 0.000 2.897 48 T HA -0.188 4.178 4.350 0.026 0.000 0.271 48 T C 1.594 176.162 174.700 -0.220 0.000 1.084 48 T CA 1.800 63.611 62.100 -0.482 0.000 1.123 48 T CB -0.380 67.968 68.868 -0.867 0.000 0.865 48 T HN 0.536 nan 8.240 nan 0.000 0.496 49 N N -0.094 118.520 118.700 -0.143 0.000 2.512 49 N HA 0.021 4.777 4.740 0.026 0.000 0.183 49 N C 0.379 175.865 175.510 -0.040 0.000 1.073 49 N CA 0.230 53.230 53.050 -0.083 0.000 0.911 49 N CB 0.139 38.592 38.487 -0.057 0.000 0.964 49 N HN 0.127 nan 8.380 nan 0.000 0.447 50 K N 0.789 121.166 120.400 -0.039 0.000 2.240 50 K HA 0.147 4.483 4.320 0.026 0.000 0.271 50 K C -1.479 175.108 176.600 -0.022 0.000 1.018 50 K CA -0.506 55.788 56.287 0.012 0.000 0.874 50 K CB 0.178 32.694 32.500 0.028 0.000 1.098 50 K HN -0.069 nan 8.250 nan 0.000 0.458 51 Y N 2.567 122.891 120.300 0.040 0.000 2.480 51 Y HA 0.308 4.878 4.550 0.034 0.000 0.341 51 Y C 0.496 176.368 175.900 -0.047 0.000 1.031 51 Y CA 0.314 58.425 58.100 0.019 0.000 1.295 51 Y CB 1.162 39.700 38.460 0.130 0.000 1.162 51 Y HN 0.716 nan 8.280 nan 0.000 0.523 52 A N 4.335 127.166 122.820 0.018 0.000 2.992 52 A HA 0.277 4.613 4.320 0.026 0.000 0.263 52 A C -0.054 177.351 177.584 -0.299 0.000 0.928 52 A CA -0.598 51.372 52.037 -0.112 0.000 1.061 52 A CB -0.356 18.587 19.000 -0.096 0.000 1.173 52 A HN 0.775 nan 8.150 nan 0.000 0.482 53 E N 0.215 120.165 120.200 -0.415 0.000 2.442 53 E HA 0.378 4.744 4.350 0.026 0.000 0.262 53 E C 1.045 177.172 176.600 -0.788 0.000 1.004 53 E CA 1.372 57.242 56.400 -0.884 0.000 0.928 53 E CB 0.519 29.590 29.700 -1.049 0.000 0.937 53 E HN 1.038 nan 8.360 nan 0.000 0.446 54 G N 1.248 109.462 108.800 -0.977 0.000 2.512 54 G HA2 -0.225 3.751 3.960 0.026 0.000 0.210 54 G HA3 -0.225 3.751 3.960 0.026 0.000 0.210 54 G C -1.434 173.067 174.900 -0.665 0.000 1.295 54 G CA -0.656 44.198 45.100 -0.411 0.000 0.934 54 G HN 0.435 nan 8.290 nan 0.000 0.554 55 Y N -0.150 120.149 120.300 -0.003 0.000 2.605 55 Y HA 0.603 5.169 4.550 0.027 0.000 0.343 55 Y C -2.040 173.865 175.900 0.010 0.000 1.036 55 Y CA -1.839 56.271 58.100 0.017 0.000 1.065 55 Y CB 1.988 40.488 38.460 0.066 0.000 1.288 55 Y HN 0.434 nan 8.280 nan 0.000 0.481 56 P HA 0.036 nan 4.420 nan 0.000 0.260 56 P C 0.612 177.964 177.300 0.087 0.000 1.172 56 P CA 2.173 65.329 63.100 0.093 0.000 0.760 56 P CB 0.225 31.981 31.700 0.094 0.000 0.773 57 G N 3.134 111.963 108.800 0.048 0.000 2.184 57 G HA2 -0.271 3.705 3.960 0.026 0.000 0.264 57 G HA3 -0.271 3.705 3.960 0.026 0.000 0.264 57 G C 0.486 175.418 174.900 0.053 0.000 0.975 57 G CA -0.214 44.911 45.100 0.041 0.000 0.642 57 G HN 0.565 nan 8.290 nan 0.000 0.536 58 R N 0.003 120.548 120.500 0.076 0.000 2.647 58 R HA 0.240 4.596 4.340 0.026 0.000 0.295 58 R C 0.305 176.652 176.300 0.078 0.000 1.267 58 R CA -0.480 55.675 56.100 0.091 0.000 1.386 58 R CB 0.377 30.758 30.300 0.135 0.000 1.309 58 R HN 0.265 nan 8.270 nan 0.000 0.692 59 R N -0.182 120.333 120.500 0.025 0.000 2.532 59 R HA 0.445 4.801 4.340 0.026 0.000 0.272 59 R C 1.141 177.420 176.300 -0.034 0.000 1.032 59 R CA -0.058 56.017 56.100 -0.041 0.000 1.089 59 R CB 1.002 31.267 30.300 -0.057 0.000 1.098 59 R HN 0.146 nan 8.270 nan 0.000 0.526 60 A N 1.958 124.691 122.820 -0.146 0.000 1.877 60 A HA -0.076 4.260 4.320 0.026 0.000 0.216 60 A C 0.389 177.999 177.584 0.043 0.000 1.186 60 A CA 1.199 53.141 52.037 -0.157 0.000 0.620 60 A CB -0.214 18.493 19.000 -0.489 0.000 0.822 60 A HN 0.639 nan 8.150 nan 0.000 0.443 61 Y N -1.770 118.518 120.300 -0.020 0.000 2.567 61 Y HA 0.529 5.093 4.550 0.024 0.000 0.333 61 Y C 1.228 177.118 175.900 -0.017 0.000 1.106 61 Y CA -1.236 56.854 58.100 -0.017 0.000 1.157 61 Y CB 1.136 39.586 38.460 -0.017 0.000 1.277 61 Y HN 0.245 nan 8.280 nan 0.000 0.490 62 G N -0.495 108.402 108.800 0.161 0.000 2.651 62 G HA2 0.374 4.350 3.960 0.026 0.000 0.260 62 G HA3 0.374 4.350 3.960 0.026 0.000 0.260 62 G C 0.780 175.709 174.900 0.049 0.000 1.216 62 G CA -0.042 45.097 45.100 0.066 0.000 0.913 62 G HN 1.211 nan 8.290 nan 0.000 0.535 63 G N -2.439 106.360 108.800 -0.003 0.000 2.143 63 G HA2 -0.288 3.688 3.960 0.026 0.000 0.248 63 G HA3 -0.288 3.688 3.960 0.026 0.000 0.248 63 G C 0.869 175.740 174.900 -0.049 0.000 0.991 63 G CA 0.576 45.662 45.100 -0.024 0.000 0.689 63 G HN 0.940 nan 8.290 nan 0.000 0.522 64 C N 0.346 119.609 119.300 -0.060 0.000 2.625 64 C HA 0.350 4.826 4.460 0.026 0.000 0.285 64 C C 2.246 177.152 174.990 -0.139 0.000 1.279 64 C CA 0.382 59.363 59.018 -0.062 0.000 1.698 64 C CB -0.593 27.128 27.740 -0.031 0.000 1.821 64 C HN 0.639 nan 8.230 nan 0.000 0.600 65 E N 0.772 120.787 120.200 -0.307 0.000 2.097 65 E HA -0.207 4.159 4.350 0.026 0.000 0.196 65 E C 1.194 177.576 176.600 -0.364 0.000 1.000 65 E CA 1.860 57.997 56.400 -0.439 0.000 0.804 65 E CB -0.216 29.028 29.700 -0.761 0.000 0.740 65 E HN 0.808 nan 8.360 nan 0.000 0.454 66 Y N -0.861 119.447 120.300 0.013 0.000 2.389 66 Y HA -0.036 4.529 4.550 0.026 0.000 0.292 66 Y C 2.320 178.224 175.900 0.007 0.000 1.117 66 Y CA 0.356 58.462 58.100 0.009 0.000 1.195 66 Y CB -0.254 38.209 38.460 0.006 0.000 1.076 66 Y HN -0.000 nan 8.280 nan 0.000 0.548 67 V N -1.754 118.229 119.914 0.115 0.000 2.594 67 V HA -0.208 3.928 4.120 0.026 0.000 0.253 67 V C 1.355 177.469 176.094 0.033 0.000 1.069 67 V CA 2.030 64.366 62.300 0.060 0.000 1.082 67 V CB -0.483 31.360 31.823 0.032 0.000 0.680 67 V HN 0.194 nan 8.190 nan 0.000 0.469 68 D N 0.970 121.380 120.400 0.016 0.000 2.117 68 D HA -0.078 4.578 4.640 0.026 0.000 0.197 68 D C 2.072 178.396 176.300 0.039 0.000 0.987 68 D CA 1.942 55.953 54.000 0.017 0.000 0.829 68 D CB -0.288 40.509 40.800 -0.005 0.000 0.961 68 D HN 0.529 nan 8.370 nan 0.000 0.460 69 I N 0.198 120.801 120.570 0.055 0.000 2.163 69 I HA -0.244 3.941 4.170 0.026 0.000 0.243 69 I C 2.384 178.536 176.117 0.057 0.000 1.085 69 I CA 0.619 61.959 61.300 0.067 0.000 1.347 69 I CB -0.187 37.875 38.000 0.103 0.000 1.044 69 I HN -0.090 nan 8.210 nan 0.000 0.408 70 V N 0.693 120.640 119.914 0.056 0.000 2.295 70 V HA -0.326 3.810 4.120 0.026 0.000 0.246 70 V C 2.501 178.612 176.094 0.028 0.000 1.049 70 V CA 2.319 64.640 62.300 0.035 0.000 1.024 70 V CB -0.612 31.228 31.823 0.029 0.000 0.648 70 V HN 0.490 nan 8.190 nan 0.000 0.447 71 E N -0.228 119.991 120.200 0.032 0.000 2.110 71 E HA -0.283 4.082 4.350 0.026 0.000 0.193 71 E C 2.150 178.787 176.600 0.061 0.000 0.988 71 E CA 1.440 57.864 56.400 0.040 0.000 0.804 71 E CB -0.031 29.692 29.700 0.038 0.000 0.745 71 E HN 0.582 nan 8.360 nan 0.000 0.458 72 E N 0.387 120.623 120.200 0.059 0.000 2.106 72 E HA -0.120 4.246 4.350 0.026 0.000 0.192 72 E C 2.002 178.638 176.600 0.061 0.000 0.984 72 E CA 0.795 57.231 56.400 0.061 0.000 0.806 72 E CB -0.143 29.590 29.700 0.055 0.000 0.750 72 E HN 0.309 nan 8.360 nan 0.000 0.458 73 L N -0.279 120.978 121.223 0.057 0.000 2.012 73 L HA -0.216 4.140 4.340 0.026 0.000 0.210 73 L C 2.448 179.377 176.870 0.098 0.000 1.073 73 L CA 1.288 56.164 54.840 0.060 0.000 0.748 73 L CB -0.602 41.482 42.059 0.042 0.000 0.891 73 L HN 0.202 nan 8.230 nan 0.000 0.431 74 A N 0.021 122.902 122.820 0.102 0.000 1.877 74 A HA -0.215 4.121 4.320 0.026 0.000 0.216 74 A C 2.389 180.138 177.584 0.275 0.000 1.186 74 A CA 1.606 53.764 52.037 0.201 0.000 0.620 74 A CB -0.486 18.573 19.000 0.099 0.000 0.822 74 A HN 0.327 nan 8.150 nan 0.000 0.443 75 R N -0.729 119.856 120.500 0.142 0.000 2.066 75 R HA -0.086 4.270 4.340 0.026 0.000 0.232 75 R C 2.064 178.391 176.300 0.044 0.000 1.131 75 R CA 1.301 57.444 56.100 0.072 0.000 0.955 75 R CB -0.299 30.015 30.300 0.024 0.000 0.851 75 R HN 0.477 nan 8.270 nan 0.000 0.432 76 E N 0.670 120.902 120.200 0.053 0.000 2.106 76 E HA -0.133 4.232 4.350 0.026 0.000 0.192 76 E C 2.031 178.645 176.600 0.023 0.000 0.984 76 E CA 1.075 57.495 56.400 0.032 0.000 0.806 76 E CB -0.069 29.652 29.700 0.034 0.000 0.750 76 E HN 0.293 nan 8.360 nan 0.000 0.458 77 R N 0.522 121.059 120.500 0.061 0.000 2.092 77 R HA -0.002 4.354 4.340 0.026 0.000 0.231 77 R C 2.327 178.581 176.300 -0.076 0.000 1.119 77 R CA 1.100 57.226 56.100 0.043 0.000 0.970 77 R CB -0.269 30.123 30.300 0.154 0.000 0.864 77 R HN 0.091 nan 8.270 nan 0.000 0.440 78 A N 1.501 124.253 122.820 -0.112 0.000 1.902 78 A HA -0.194 4.142 4.320 0.026 0.000 0.217 78 A C 1.867 179.401 177.584 -0.083 0.000 1.181 78 A CA 1.408 53.266 52.037 -0.298 0.000 0.623 78 A CB -0.224 18.606 19.000 -0.283 0.000 0.818 78 A HN 0.184 nan 8.150 nan 0.000 0.443 79 K N -0.478 119.895 120.400 -0.045 0.000 2.097 79 K HA -0.154 4.181 4.320 0.026 0.000 0.206 79 K C 2.342 178.918 176.600 -0.039 0.000 1.049 79 K CA 1.573 57.851 56.287 -0.016 0.000 0.933 79 K CB -0.191 32.303 32.500 -0.009 0.000 0.717 79 K HN 0.601 nan 8.250 nan 0.000 0.442 80 Q N 0.586 120.345 119.800 -0.069 0.000 2.061 80 Q HA -0.147 4.209 4.340 0.026 0.000 0.204 80 Q C 2.197 178.097 176.000 -0.166 0.000 0.984 80 Q CA 1.304 57.053 55.803 -0.089 0.000 0.846 80 Q CB -0.130 28.563 28.738 -0.076 0.000 0.902 80 Q HN 0.307 nan 8.270 nan 0.000 0.421 81 L N -1.042 120.001 121.223 -0.300 0.000 2.056 81 L HA -0.153 4.203 4.340 0.026 0.000 0.207 81 L C 1.481 177.944 176.870 -0.678 0.000 1.078 81 L CA 1.142 55.620 54.840 -0.603 0.000 0.749 81 L CB -0.025 41.427 42.059 -1.013 0.000 0.901 81 L HN 0.201 nan 8.230 nan 0.000 0.433 82 F N -1.402 118.477 119.950 -0.118 0.000 2.706 82 F HA 0.332 4.874 4.527 0.024 0.000 0.308 82 F C 1.600 177.359 175.800 -0.068 0.000 1.095 82 F CA 0.267 58.213 58.000 -0.091 0.000 1.244 82 F CB 0.062 38.987 39.000 -0.124 0.000 1.063 82 F HN 0.039 nan 8.300 nan 0.000 0.582 83 G N 1.368 110.205 108.800 0.061 0.000 2.198 83 G HA2 -0.126 3.850 3.960 0.026 0.000 0.260 83 G HA3 -0.126 3.850 3.960 0.026 0.000 0.260 83 G C 0.320 175.237 174.900 0.029 0.000 1.025 83 G CA 0.075 45.191 45.100 0.027 0.000 0.769 83 G HN 0.654 nan 8.290 nan 0.000 0.507 84 A N -0.734 122.114 122.820 0.047 0.000 2.322 84 A HA 0.716 5.052 4.320 0.026 0.000 0.269 84 A C 1.105 178.704 177.584 0.026 0.000 1.094 84 A CA 0.573 52.626 52.037 0.027 0.000 0.807 84 A CB 0.483 19.495 19.000 0.021 0.000 1.047 84 A HN 0.439 nan 8.150 nan 0.000 0.487 85 E N -0.637 119.584 120.200 0.035 0.000 2.216 85 E HA -0.039 4.326 4.350 0.026 0.000 0.192 85 E C -0.157 176.513 176.600 0.118 0.000 0.988 85 E CA 0.991 57.421 56.400 0.050 0.000 0.834 85 E CB 0.068 29.784 29.700 0.026 0.000 0.772 85 E HN 0.745 nan 8.360 nan 0.000 0.479 86 H N -1.114 117.959 119.070 0.005 0.000 2.974 86 H HA 0.549 5.122 4.556 0.028 0.000 0.366 86 H C -1.786 173.554 175.328 0.020 0.000 1.155 86 H CA -0.570 55.485 56.048 0.012 0.000 1.186 86 H CB 1.645 31.416 29.762 0.015 0.000 1.799 86 H HN -0.019 nan 8.280 nan 0.000 0.541 87 A N 3.922 126.382 122.820 -0.599 0.000 2.386 87 A HA 0.463 4.799 4.320 0.026 0.000 0.311 87 A C -1.123 176.156 177.584 -0.508 0.000 1.068 87 A CA -0.854 50.953 52.037 -0.383 0.000 0.743 87 A CB 1.254 20.153 19.000 -0.169 0.000 1.258 87 A HN 0.710 nan 8.150 nan 0.000 0.429 88 N N 1.966 120.556 118.700 -0.183 0.000 2.442 88 N HA 0.314 5.069 4.740 0.026 0.000 0.274 88 N C 0.054 175.591 175.510 0.046 0.000 1.002 88 N CA -0.159 52.883 53.050 -0.013 0.000 0.910 88 N CB 1.932 40.478 38.487 0.099 0.000 1.244 88 N HN 0.717 nan 8.380 nan 0.000 0.492 89 V N 1.352 121.315 119.914 0.082 0.000 3.542 89 V HA 0.220 4.355 4.120 0.026 0.000 0.296 89 V C 1.279 177.403 176.094 0.051 0.000 1.364 89 V CA 0.313 62.672 62.300 0.097 0.000 1.118 89 V CB -0.051 31.857 31.823 0.143 0.000 0.972 89 V HN 0.538 nan 8.190 nan 0.000 0.430 90 Q N 0.691 120.516 119.800 0.041 0.000 2.331 90 Q HA 0.163 4.519 4.340 0.026 0.000 0.203 90 Q C -1.555 174.373 176.000 -0.120 0.000 0.944 90 Q CA -0.328 55.451 55.803 -0.040 0.000 0.892 90 Q CB -0.845 27.858 28.738 -0.058 0.000 0.983 90 Q HN 0.560 nan 8.270 nan 0.000 0.482 91 P HA -0.097 nan 4.420 nan 0.000 0.264 91 P C -0.094 177.161 177.300 -0.074 0.000 1.193 91 P CA 0.532 63.557 63.100 -0.125 0.000 0.763 91 P CB 0.432 32.105 31.700 -0.046 0.000 0.810 92 H N 0.497 119.552 119.070 -0.026 0.000 2.521 92 H HA 0.014 4.585 4.556 0.027 0.000 0.286 92 H C 0.991 176.307 175.328 -0.021 0.000 1.034 92 H CA 1.128 57.152 56.048 -0.040 0.000 1.278 92 H CB 0.052 29.785 29.762 -0.048 0.000 1.386 92 H HN 0.506 nan 8.280 nan 0.000 0.567 93 S N -2.929 112.835 115.700 0.107 0.000 2.636 93 S HA 0.381 4.867 4.470 0.026 0.000 0.266 93 S C 1.286 175.933 174.600 0.079 0.000 1.147 93 S CA -0.378 57.885 58.200 0.104 0.000 0.815 93 S CB 1.007 64.262 63.200 0.092 0.000 1.119 93 S HN 0.093 nan 8.310 nan 0.000 0.470 94 G N 0.765 109.620 108.800 0.092 0.000 2.418 94 G HA2 0.107 4.083 3.960 0.026 0.000 0.217 94 G HA3 0.107 4.083 3.960 0.026 0.000 0.217 94 G C 1.547 176.477 174.900 0.051 0.000 1.158 94 G CA 1.208 46.322 45.100 0.024 0.000 0.771 94 G HN 1.391 nan 8.290 nan 0.000 0.545 95 A N 0.273 123.156 122.820 0.106 0.000 1.892 95 A HA -0.155 4.181 4.320 0.026 0.000 0.218 95 A C 2.381 180.018 177.584 0.089 0.000 1.188 95 A CA 2.297 54.438 52.037 0.174 0.000 0.631 95 A CB -0.436 18.669 19.000 0.176 0.000 0.822 95 A HN 0.356 nan 8.150 nan 0.000 0.447 96 Q N -0.694 119.114 119.800 0.014 0.000 2.172 96 Q HA 0.163 4.519 4.340 0.026 0.000 0.200 96 Q C 2.290 178.253 176.000 -0.061 0.000 0.964 96 Q CA 1.468 57.236 55.803 -0.057 0.000 0.855 96 Q CB -0.633 28.070 28.738 -0.058 0.000 0.918 96 Q HN 0.647 nan 8.270 nan 0.000 0.444 97 A N 0.909 123.705 122.820 -0.040 0.000 1.865 97 A HA -0.245 4.091 4.320 0.026 0.000 0.217 97 A C 1.805 179.322 177.584 -0.113 0.000 1.191 97 A CA 1.846 53.847 52.037 -0.060 0.000 0.623 97 A CB -0.647 18.325 19.000 -0.047 0.000 0.826 97 A HN 0.342 nan 8.150 nan 0.000 0.444 98 N N -0.642 117.990 118.700 -0.113 0.000 2.084 98 N HA -0.151 4.605 4.740 0.026 0.000 0.190 98 N C 1.735 176.997 175.510 -0.412 0.000 1.030 98 N CA 1.668 54.532 53.050 -0.310 0.000 0.849 98 N CB -0.537 37.858 38.487 -0.153 0.000 1.012 98 N HN 0.623 nan 8.380 nan 0.000 0.423 99 M N 0.614 120.216 119.600 0.003 0.000 2.106 99 M HA -0.194 4.302 4.480 0.026 0.000 0.259 99 M C 1.837 178.182 176.300 0.075 0.000 1.068 99 M CA 1.815 57.196 55.300 0.134 0.000 1.100 99 M CB -0.042 32.418 32.600 -0.232 0.000 1.351 99 M HN 0.202 nan 8.290 nan 0.000 0.404 100 A N -0.653 122.144 122.820 -0.040 0.000 1.898 100 A HA -0.107 4.229 4.320 0.026 0.000 0.216 100 A C 2.012 179.581 177.584 -0.026 0.000 1.181 100 A CA 1.798 53.835 52.037 0.000 0.000 0.620 100 A CB -1.049 17.935 19.000 -0.028 0.000 0.819 100 A HN 0.426 nan 8.150 nan 0.000 0.442 101 V N -0.949 118.844 119.914 -0.202 0.000 2.295 101 V HA -0.268 3.868 4.120 0.026 0.000 0.246 101 V C 2.443 178.361 176.094 -0.294 0.000 1.049 101 V CA 1.881 63.930 62.300 -0.419 0.000 1.024 101 V CB -1.145 30.361 31.823 -0.529 0.000 0.648 101 V HN 0.629 nan 8.190 nan 0.000 0.447 102 Y N -0.810 119.413 120.300 -0.129 0.000 2.165 102 Y HA -0.222 4.345 4.550 0.028 0.000 0.286 102 Y C 2.301 178.189 175.900 -0.019 0.000 1.155 102 Y CA 1.033 59.039 58.100 -0.157 0.000 1.164 102 Y CB -1.270 37.197 38.460 0.012 0.000 0.978 102 Y HN 0.283 nan 8.280 nan 0.000 0.513 103 F N 0.654 120.695 119.950 0.151 0.000 2.216 103 F HA -0.197 4.346 4.527 0.028 0.000 0.300 103 F C 2.174 177.973 175.800 -0.002 0.000 1.085 103 F CA 1.818 59.889 58.000 0.119 0.000 1.326 103 F CB -0.453 38.598 39.000 0.084 0.000 1.027 103 F HN -0.044 nan 8.300 nan 0.000 0.497 104 T N -0.608 113.914 114.554 -0.053 0.000 2.770 104 T HA -0.103 4.263 4.350 0.026 0.000 0.263 104 T C 1.924 176.462 174.700 -0.269 0.000 1.039 104 T CA 1.940 63.929 62.100 -0.186 0.000 1.142 104 T CB -0.449 68.263 68.868 -0.260 0.000 0.868 104 T HN 0.242 nan 8.240 nan 0.000 0.435 105 V N -1.813 117.889 119.914 -0.353 0.000 3.645 105 V HA 0.492 4.628 4.120 0.026 0.000 0.275 105 V C 0.336 176.300 176.094 -0.217 0.000 1.356 105 V CA -0.177 61.893 62.300 -0.383 0.000 1.051 105 V CB -0.466 30.908 31.823 -0.748 0.000 0.828 105 V HN 0.223 nan 8.190 nan 0.000 0.441 106 L N 0.863 121.976 121.223 -0.183 0.000 2.334 106 L HA 0.680 5.035 4.340 0.026 0.000 0.273 106 L C -0.180 176.717 176.870 0.044 0.000 1.013 106 L CA -0.492 54.282 54.840 -0.109 0.000 0.816 106 L CB 2.064 43.913 42.059 -0.349 0.000 1.278 106 L HN 0.121 nan 8.230 nan 0.000 0.431 107 E N -0.005 120.252 120.200 0.094 0.000 2.227 107 E HA 0.201 4.566 4.350 0.026 0.000 0.268 107 E C -0.635 176.118 176.600 0.254 0.000 0.990 107 E CA -0.817 55.668 56.400 0.141 0.000 0.856 107 E CB 1.244 30.988 29.700 0.075 0.000 1.159 107 E HN 0.459 nan 8.360 nan 0.000 0.401 108 H N 0.849 119.985 119.070 0.109 0.000 3.167 108 H HA -0.108 4.464 4.556 0.026 0.000 0.306 108 H C 0.867 176.220 175.328 0.043 0.000 0.965 108 H CA 1.899 57.957 56.048 0.017 0.000 1.408 108 H CB 0.154 29.904 29.762 -0.020 0.000 1.406 108 H HN 0.838 nan 8.280 nan 0.000 0.576 109 G N 4.462 112.995 108.800 -0.444 0.000 2.176 109 G HA2 -0.254 3.722 3.960 0.026 0.000 0.253 109 G HA3 -0.254 3.722 3.960 0.026 0.000 0.253 109 G C 0.063 174.911 174.900 -0.086 0.000 0.979 109 G CA 0.236 45.139 45.100 -0.328 0.000 0.641 109 G HN 0.695 nan 8.290 nan 0.000 0.530 110 D N 1.259 121.670 120.400 0.019 0.000 2.449 110 D HA 0.406 5.062 4.640 0.026 0.000 0.236 110 D C 0.876 177.122 176.300 -0.090 0.000 1.149 110 D CA 0.827 54.818 54.000 -0.016 0.000 0.878 110 D CB 0.646 41.435 40.800 -0.018 0.000 1.198 110 D HN 0.122 nan 8.370 nan 0.000 0.446 111 T N 1.225 115.705 114.554 -0.123 0.000 2.832 111 T HA 0.406 4.772 4.350 0.026 0.000 0.296 111 T C 0.023 174.532 174.700 -0.318 0.000 0.968 111 T CA -0.535 61.452 62.100 -0.189 0.000 1.107 111 T CB 0.778 69.585 68.868 -0.101 0.000 0.916 111 T HN -0.008 nan 8.240 nan 0.000 0.517 112 V N 4.128 123.703 119.914 -0.565 0.000 2.735 112 V HA 0.542 4.678 4.120 0.026 0.000 0.310 112 V C -0.675 175.082 176.094 -0.561 0.000 1.061 112 V CA -1.050 60.799 62.300 -0.752 0.000 0.913 112 V CB 1.979 32.868 31.823 -1.558 0.000 1.005 112 V HN 0.666 nan 8.190 nan 0.000 0.428 113 L N 3.748 124.828 121.223 -0.238 0.000 2.298 113 L HA 0.944 5.300 4.340 0.026 0.000 0.284 113 L C 0.223 177.182 176.870 0.148 0.000 1.013 113 L CA 0.483 55.324 54.840 0.001 0.000 0.824 113 L CB 0.886 43.024 42.059 0.132 0.000 1.221 113 L HN 0.799 nan 8.230 nan 0.000 0.418 114 G N 3.970 112.846 108.800 0.128 0.000 2.816 114 G HA2 0.449 4.424 3.960 0.026 0.000 0.288 114 G HA3 0.449 4.424 3.960 0.026 0.000 0.288 114 G C -1.159 173.378 174.900 -0.604 0.000 1.334 114 G CA -0.972 44.150 45.100 0.037 0.000 0.978 114 G HN 0.647 nan 8.290 nan 0.000 0.493 115 M N 1.641 120.830 119.600 -0.683 0.000 2.219 115 M HA 0.151 4.647 4.480 0.026 0.000 0.353 115 M C 0.582 176.592 176.300 -0.482 0.000 1.304 115 M CA -0.636 54.099 55.300 -0.941 0.000 1.115 115 M CB 0.407 32.793 32.600 -0.357 0.000 1.664 115 M HN 0.589 nan 8.290 nan 0.000 0.459 116 N N 3.832 122.220 118.700 -0.520 0.000 2.294 116 N HA -0.102 4.654 4.740 0.026 0.000 0.263 116 N C 0.442 175.793 175.510 -0.266 0.000 1.281 116 N CA 0.237 53.029 53.050 -0.430 0.000 0.846 116 N CB 0.553 38.570 38.487 -0.784 0.000 1.061 116 N HN 0.711 nan 8.380 nan 0.000 0.478 117 L N 3.289 124.382 121.223 -0.216 0.000 2.191 117 L HA -0.147 4.209 4.340 0.026 0.000 0.212 117 L C 2.282 179.083 176.870 -0.116 0.000 1.103 117 L CA 1.436 56.180 54.840 -0.161 0.000 0.769 117 L CB -0.642 41.306 42.059 -0.186 0.000 0.908 117 L HN 0.748 nan 8.230 nan 0.000 0.438 118 S N -3.012 112.626 115.700 -0.103 0.000 2.593 118 S HA -0.018 4.467 4.470 0.026 0.000 0.217 118 S C 1.464 176.128 174.600 0.107 0.000 0.966 118 S CA 0.160 58.348 58.200 -0.020 0.000 0.914 118 S CB -0.623 62.566 63.200 -0.019 0.000 0.776 118 S HN 0.583 nan 8.310 nan 0.000 0.523 119 H N -0.196 118.778 119.070 -0.160 0.000 2.652 119 H HA 0.363 4.934 4.556 0.026 0.000 0.274 119 H C 1.511 176.809 175.328 -0.049 0.000 1.021 119 H CA 0.078 56.050 56.048 -0.126 0.000 1.187 119 H CB 0.833 30.502 29.762 -0.154 0.000 1.505 119 H HN 0.606 nan 8.280 nan 0.000 0.530 120 G N 0.560 109.394 108.800 0.057 0.000 2.672 120 G HA2 -0.176 3.800 3.960 0.026 0.000 0.197 120 G HA3 -0.176 3.800 3.960 0.026 0.000 0.197 120 G C 0.698 175.618 174.900 0.033 0.000 0.995 120 G CA -0.327 44.803 45.100 0.051 0.000 0.754 120 G HN 0.499 nan 8.290 nan 0.000 0.505 121 G N -0.118 108.682 108.800 0.001 0.000 2.594 121 G HA2 0.448 4.423 3.960 0.026 0.000 0.243 121 G HA3 0.448 4.423 3.960 0.026 0.000 0.243 121 G C -0.152 174.724 174.900 -0.040 0.000 1.229 121 G CA 0.144 45.277 45.100 0.055 0.000 0.843 121 G HN 0.449 nan 8.290 nan 0.000 0.578 122 H N 1.170 120.035 119.070 -0.340 0.000 2.505 122 H HA 0.123 4.695 4.556 0.027 0.000 0.355 122 H C 1.458 176.529 175.328 -0.429 0.000 1.179 122 H CA -0.854 54.891 56.048 -0.505 0.000 1.343 122 H CB 1.621 30.916 29.762 -0.779 0.000 1.501 122 H HN 0.317 nan 8.280 nan 0.000 0.569 123 L N 2.932 123.487 121.223 -1.113 0.000 2.051 123 L HA -0.232 4.123 4.340 0.026 0.000 0.214 123 L C 2.350 178.908 176.870 -0.520 0.000 1.076 123 L CA 2.624 57.013 54.840 -0.751 0.000 0.758 123 L CB -0.731 40.882 42.059 -0.743 0.000 0.890 123 L HN 0.852 nan 8.230 nan 0.000 0.433 124 T N -4.895 109.429 114.554 -0.382 0.000 3.148 124 T HA -0.043 4.322 4.350 0.026 0.000 0.253 124 T C 0.898 175.606 174.700 0.014 0.000 1.134 124 T CA 0.622 62.677 62.100 -0.075 0.000 1.051 124 T CB -0.944 68.095 68.868 0.285 0.000 0.959 124 T HN 0.627 nan 8.240 nan 0.000 0.525 125 H N 0.491 119.427 119.070 -0.223 0.000 2.550 125 H HA 0.499 5.071 4.556 0.026 0.000 0.304 125 H C 1.410 176.170 175.328 -0.947 0.000 1.086 125 H CA -0.455 55.406 56.048 -0.312 0.000 1.089 125 H CB 0.120 29.856 29.762 -0.043 0.000 1.528 125 H HN 0.511 nan 8.280 nan 0.000 0.539 126 G N 0.871 108.938 108.800 -1.221 0.000 2.164 126 G HA2 -0.278 3.698 3.960 0.026 0.000 0.154 126 G HA3 -0.278 3.698 3.960 0.026 0.000 0.154 126 G C 0.207 174.762 174.900 -0.576 0.000 1.014 126 G CA -0.046 44.210 45.100 -1.406 0.000 0.683 126 G HN 0.383 nan 8.290 nan 0.000 0.500 127 S N 1.327 116.759 115.700 -0.446 0.000 2.552 127 S HA 0.390 4.876 4.470 0.026 0.000 0.289 127 S C 0.037 174.507 174.600 -0.216 0.000 1.304 127 S CA 0.056 58.087 58.200 -0.282 0.000 1.063 127 S CB 1.097 64.143 63.200 -0.257 0.000 0.848 127 S HN 0.188 nan 8.310 nan 0.000 0.499 128 P HA -0.008 nan 4.420 nan 0.000 0.234 128 P C 0.979 178.243 177.300 -0.060 0.000 1.167 128 P CA 0.670 63.718 63.100 -0.087 0.000 0.763 128 P CB -0.293 31.373 31.700 -0.057 0.000 0.835 129 V N -4.384 115.491 119.914 -0.065 0.000 3.621 129 V HA 0.272 4.408 4.120 0.026 0.000 0.285 129 V C 0.720 176.798 176.094 -0.026 0.000 1.346 129 V CA -0.393 61.889 62.300 -0.030 0.000 1.104 129 V CB -0.931 30.886 31.823 -0.010 0.000 0.913 129 V HN 0.015 nan 8.190 nan 0.000 0.432 130 N N 0.590 119.245 118.700 -0.074 0.000 2.430 130 N HA 0.242 4.998 4.740 0.026 0.000 0.298 130 N C 0.979 176.457 175.510 -0.054 0.000 1.130 130 N CA -0.148 52.868 53.050 -0.058 0.000 0.894 130 N CB 2.171 40.548 38.487 -0.182 0.000 1.209 130 N HN 0.204 nan 8.380 nan 0.000 0.503 131 F N 2.143 122.104 119.950 0.018 0.000 2.192 131 F HA -0.185 4.358 4.527 0.027 0.000 0.301 131 F C 2.290 178.131 175.800 0.068 0.000 1.079 131 F CA 1.493 59.519 58.000 0.043 0.000 1.303 131 F CB -1.032 38.017 39.000 0.083 0.000 1.024 131 F HN 0.448 nan 8.300 nan 0.000 0.494 132 S N 0.485 115.587 115.700 -0.995 0.000 2.359 132 S HA -0.079 4.407 4.470 0.026 0.000 0.224 132 S C 2.282 176.750 174.600 -0.220 0.000 1.035 132 S CA 1.055 58.886 58.200 -0.616 0.000 1.018 132 S CB -1.678 61.031 63.200 -0.817 0.000 0.876 132 S HN 0.570 nan 8.310 nan 0.000 0.448 133 G N 0.366 108.979 108.800 -0.313 0.000 2.551 133 G HA2 0.109 4.084 3.960 0.026 0.000 0.216 133 G HA3 0.109 4.084 3.960 0.026 0.000 0.216 133 G C 1.320 176.191 174.900 -0.047 0.000 1.137 133 G CA 0.610 45.626 45.100 -0.141 0.000 0.798 133 G HN 0.471 nan 8.290 nan 0.000 0.536 134 V N 0.097 119.974 119.914 -0.062 0.000 2.535 134 V HA -0.076 4.060 4.120 0.026 0.000 0.246 134 V C 2.569 178.631 176.094 -0.053 0.000 1.045 134 V CA 1.977 64.262 62.300 -0.025 0.000 1.058 134 V CB 0.303 32.135 31.823 0.016 0.000 0.689 134 V HN 0.429 nan 8.190 nan 0.000 0.461 135 Q N -0.907 118.806 119.800 -0.145 0.000 2.250 135 Q HA 0.061 4.417 4.340 0.026 0.000 0.200 135 Q C -0.130 175.460 176.000 -0.683 0.000 0.941 135 Q CA 0.964 56.537 55.803 -0.383 0.000 0.872 135 Q CB 0.237 28.640 28.738 -0.558 0.000 0.965 135 Q HN 0.642 nan 8.270 nan 0.000 0.480 136 Y N -0.763 119.533 120.300 -0.006 0.000 2.570 136 Y HA 0.407 4.972 4.550 0.026 0.000 0.345 136 Y C -0.588 175.291 175.900 -0.035 0.000 1.014 136 Y CA -1.893 56.159 58.100 -0.080 0.000 1.063 136 Y CB 0.871 39.251 38.460 -0.134 0.000 1.272 136 Y HN -0.162 nan 8.280 nan 0.000 0.477 137 N N 1.399 120.111 118.700 0.021 0.000 2.602 137 N HA 0.222 4.978 4.740 0.026 0.000 0.238 137 N C -1.744 173.712 175.510 -0.091 0.000 1.084 137 N CA -0.090 52.943 53.050 -0.028 0.000 0.952 137 N CB -0.296 38.148 38.487 -0.071 0.000 1.244 137 N HN 0.408 nan 8.380 nan 0.000 0.512 138 F N 2.446 122.328 119.950 -0.115 0.000 2.410 138 F HA 0.271 4.814 4.527 0.027 0.000 0.348 138 F C 0.715 176.409 175.800 -0.177 0.000 1.106 138 F CA -0.448 57.467 58.000 -0.143 0.000 1.163 138 F CB 0.868 39.783 39.000 -0.143 0.000 1.129 138 F HN 0.130 nan 8.300 nan 0.000 0.516 139 V N 0.677 120.535 119.914 -0.093 0.000 3.019 139 V HA 0.985 5.121 4.120 0.026 0.000 0.317 139 V C -0.602 175.443 176.094 -0.081 0.000 1.094 139 V CA -1.175 61.013 62.300 -0.187 0.000 1.000 139 V CB 1.392 32.910 31.823 -0.509 0.000 1.060 139 V HN 0.889 nan 8.190 nan 0.000 0.443 140 A N 2.071 124.829 122.820 -0.103 0.000 2.386 140 A HA 0.911 5.247 4.320 0.026 0.000 0.311 140 A C -0.968 176.570 177.584 -0.077 0.000 1.068 140 A CA -0.730 51.215 52.037 -0.154 0.000 0.743 140 A CB 1.389 20.254 19.000 -0.225 0.000 1.258 140 A HN 1.506 nan 8.150 nan 0.000 0.429 141 Y N 0.156 120.439 120.300 -0.028 0.000 2.453 141 Y HA 0.823 5.389 4.550 0.026 0.000 0.326 141 Y C 0.497 176.350 175.900 -0.079 0.000 1.186 141 Y CA -0.837 57.243 58.100 -0.033 0.000 1.200 141 Y CB 0.905 39.358 38.460 -0.013 0.000 1.247 141 Y HN 0.769 nan 8.280 nan 0.000 0.482 142 G N 0.350 109.248 108.800 0.163 0.000 2.685 142 G HA2 0.580 4.556 3.960 0.026 0.000 0.298 142 G HA3 0.580 4.556 3.960 0.026 0.000 0.298 142 G C -0.979 174.116 174.900 0.325 0.000 1.277 142 G CA -0.733 44.478 45.100 0.186 0.000 0.986 142 G HN 1.066 nan 8.290 nan 0.000 0.487 143 V N -1.727 118.468 119.914 0.469 0.000 2.863 143 V HA 0.474 4.610 4.120 0.026 0.000 0.307 143 V C 0.278 176.573 176.094 0.335 0.000 1.061 143 V CA -1.127 61.352 62.300 0.298 0.000 1.024 143 V CB 1.703 33.688 31.823 0.270 0.000 1.049 143 V HN 0.692 nan 8.190 nan 0.000 0.471 144 D N 3.039 123.570 120.400 0.219 0.000 2.455 144 D HA 0.134 4.790 4.640 0.026 0.000 0.241 144 D C -1.763 174.613 176.300 0.126 0.000 1.138 144 D CA -1.064 53.020 54.000 0.141 0.000 0.877 144 D CB 1.991 42.827 40.800 0.060 0.000 1.187 144 D HN 0.437 nan 8.370 nan 0.000 0.451 145 P HA -0.054 nan 4.420 nan 0.000 0.223 145 P C 0.503 177.683 177.300 -0.200 0.000 1.151 145 P CA 0.899 63.855 63.100 -0.240 0.000 0.787 145 P CB 0.485 31.856 31.700 -0.547 0.000 0.788 146 E N -1.337 118.723 120.200 -0.234 0.000 2.132 146 E HA -0.042 4.324 4.350 0.026 0.000 0.193 146 E C 1.978 178.281 176.600 -0.495 0.000 0.951 146 E CA 1.472 57.693 56.400 -0.298 0.000 0.843 146 E CB -1.048 28.557 29.700 -0.158 0.000 0.807 146 E HN 0.228 nan 8.360 nan 0.000 0.467 147 T N -2.866 111.494 114.554 -0.323 0.000 3.054 147 T HA -0.028 4.338 4.350 0.026 0.000 0.259 147 T C 0.174 174.771 174.700 -0.172 0.000 1.092 147 T CA 0.810 62.779 62.100 -0.219 0.000 1.121 147 T CB -0.387 68.450 68.868 -0.053 0.000 0.912 147 T HN 0.349 nan 8.240 nan 0.000 0.489 148 H N -0.772 118.355 119.070 0.095 0.000 3.010 148 H HA -0.105 4.467 4.556 0.027 0.000 0.272 148 H C -0.356 175.105 175.328 0.222 0.000 1.151 148 H CA 0.180 56.306 56.048 0.131 0.000 1.159 148 H CB -2.470 27.343 29.762 0.085 0.000 1.295 148 H HN 0.350 nan 8.280 nan 0.000 0.344 149 V N 1.375 121.448 119.914 0.266 0.000 2.607 149 V HA 0.126 4.262 4.120 0.026 0.000 0.289 149 V C 1.382 177.631 176.094 0.258 0.000 1.053 149 V CA -0.485 62.020 62.300 0.342 0.000 0.996 149 V CB 1.370 33.333 31.823 0.234 0.000 0.995 149 V HN 0.209 nan 8.190 nan 0.000 0.476 150 I N 3.486 124.172 120.570 0.193 0.000 2.906 150 I HA -0.086 4.100 4.170 0.026 0.000 0.301 150 I C 0.687 176.663 176.117 -0.236 0.000 1.221 150 I CA 0.638 61.845 61.300 -0.156 0.000 1.435 150 I CB 0.048 37.737 38.000 -0.518 0.000 1.345 150 I HN 0.646 nan 8.210 nan 0.000 0.558 151 D N 7.029 127.341 120.400 -0.147 0.000 2.422 151 D HA 0.046 4.702 4.640 0.026 0.000 0.227 151 D C 0.577 176.731 176.300 -0.243 0.000 1.190 151 D CA -0.052 53.895 54.000 -0.087 0.000 0.905 151 D CB 0.432 41.252 40.800 0.032 0.000 1.034 151 D HN 0.329 nan 8.370 nan 0.000 0.507 152 Y N 1.544 121.764 120.300 -0.132 0.000 2.352 152 Y HA -0.111 4.455 4.550 0.026 0.000 0.292 152 Y C 1.986 177.771 175.900 -0.193 0.000 1.136 152 Y CA 0.670 58.615 58.100 -0.258 0.000 1.227 152 Y CB 0.215 38.512 38.460 -0.272 0.000 0.991 152 Y HN 0.393 nan 8.280 nan 0.000 0.545 153 D N -0.215 120.192 120.400 0.011 0.000 2.183 153 D HA -0.163 4.493 4.640 0.026 0.000 0.203 153 D C 1.523 177.813 176.300 -0.017 0.000 0.969 153 D CA 1.385 55.382 54.000 -0.005 0.000 0.842 153 D CB -0.180 40.627 40.800 0.011 0.000 0.957 153 D HN 0.410 nan 8.370 nan 0.000 0.484 154 D N 0.335 120.724 120.400 -0.020 0.000 2.123 154 D HA -0.110 4.546 4.640 0.026 0.000 0.200 154 D C 2.153 178.450 176.300 -0.005 0.000 0.976 154 D CA 0.489 54.498 54.000 0.014 0.000 0.831 154 D CB 0.177 41.014 40.800 0.062 0.000 0.974 154 D HN -0.109 nan 8.370 nan 0.000 0.469 155 V N 0.655 120.484 119.914 -0.142 0.000 2.282 155 V HA -0.272 3.864 4.120 0.026 0.000 0.249 155 V C 2.636 178.661 176.094 -0.115 0.000 1.057 155 V CA 2.183 64.328 62.300 -0.259 0.000 1.032 155 V CB -0.657 30.739 31.823 -0.711 0.000 0.645 155 V HN 0.227 nan 8.190 nan 0.000 0.447 156 R N -0.068 120.369 120.500 -0.106 0.000 2.073 156 R HA -0.232 4.123 4.340 0.026 0.000 0.234 156 R C 2.450 178.742 176.300 -0.014 0.000 1.134 156 R CA 2.168 58.236 56.100 -0.052 0.000 0.952 156 R CB -0.311 29.962 30.300 -0.046 0.000 0.850 156 R HN 0.700 nan 8.270 nan 0.000 0.433 157 E N 0.164 120.362 120.200 -0.003 0.000 2.051 157 E HA -0.199 4.167 4.350 0.026 0.000 0.192 157 E C 1.629 178.244 176.600 0.025 0.000 0.991 157 E CA 1.142 57.545 56.400 0.006 0.000 0.799 157 E CB 0.178 29.884 29.700 0.011 0.000 0.748 157 E HN 0.162 nan 8.360 nan 0.000 0.449 158 K N 0.288 120.736 120.400 0.080 0.000 2.063 158 K HA -0.138 4.198 4.320 0.026 0.000 0.208 158 K C 2.110 178.816 176.600 0.176 0.000 1.048 158 K CA 1.130 57.529 56.287 0.187 0.000 0.928 158 K CB -0.470 32.171 32.500 0.236 0.000 0.713 158 K HN 0.205 nan 8.250 nan 0.000 0.442 159 A N 1.648 124.530 122.820 0.104 0.000 1.902 159 A HA -0.173 4.163 4.320 0.026 0.000 0.217 159 A C 2.239 179.849 177.584 0.044 0.000 1.181 159 A CA 1.425 53.510 52.037 0.080 0.000 0.623 159 A CB -0.381 18.650 19.000 0.051 0.000 0.818 159 A HN 0.266 nan 8.150 nan 0.000 0.443 160 R N -1.348 119.160 120.500 0.013 0.000 2.115 160 R HA -0.013 4.343 4.340 0.026 0.000 0.226 160 R C 2.092 178.366 176.300 -0.043 0.000 1.100 160 R CA 1.212 57.304 56.100 -0.012 0.000 0.980 160 R CB -0.405 29.885 30.300 -0.018 0.000 0.875 160 R HN 0.495 nan 8.270 nan 0.000 0.445 161 L N 0.008 121.179 121.223 -0.087 0.000 2.023 161 L HA -0.109 4.247 4.340 0.026 0.000 0.205 161 L C 1.850 178.571 176.870 -0.248 0.000 1.073 161 L CA 1.879 56.590 54.840 -0.217 0.000 0.745 161 L CB -0.297 41.538 42.059 -0.373 0.000 0.900 161 L HN 0.185 nan 8.230 nan 0.000 0.435 162 H N -0.033 119.035 119.070 -0.002 0.000 2.562 162 H HA 0.227 4.799 4.556 0.027 0.000 0.267 162 H C 0.049 175.366 175.328 -0.019 0.000 0.959 162 H CA 0.165 56.207 56.048 -0.011 0.000 1.204 162 H CB 0.272 30.027 29.762 -0.012 0.000 1.430 162 H HN 0.155 nan 8.280 nan 0.000 0.545 163 R N 0.425 120.971 120.500 0.076 0.000 3.205 163 R HA -0.100 4.255 4.340 0.026 0.000 0.249 163 R C -2.614 173.702 176.300 0.026 0.000 0.937 163 R CA -0.019 56.102 56.100 0.035 0.000 0.641 163 R CB -2.463 27.845 30.300 0.013 0.000 1.114 163 R HN 0.440 nan 8.270 nan 0.000 0.451 164 P HA 0.067 nan 4.420 nan 0.000 0.272 164 P C 0.649 177.935 177.300 -0.022 0.000 1.223 164 P CA -0.239 62.846 63.100 -0.025 0.000 0.784 164 P CB 0.868 32.549 31.700 -0.032 0.000 0.923 165 K N 0.633 121.006 120.400 -0.046 0.000 2.228 165 K HA 0.003 4.339 4.320 0.026 0.000 0.202 165 K C 0.356 176.992 176.600 0.060 0.000 1.051 165 K CA 0.571 56.860 56.287 0.003 0.000 0.960 165 K CB -0.001 32.496 32.500 -0.005 0.000 0.743 165 K HN 0.316 nan 8.250 nan 0.000 0.458 166 L N 0.838 122.053 121.223 -0.013 0.000 2.455 166 L HA 0.457 4.812 4.340 0.026 0.000 0.264 166 L C -1.566 175.310 176.870 0.010 0.000 0.968 166 L CA -0.603 54.257 54.840 0.033 0.000 0.827 166 L CB 1.909 43.932 42.059 -0.060 0.000 1.317 166 L HN -0.086 nan 8.230 nan 0.000 0.407 167 I N 4.912 125.549 120.570 0.111 0.000 2.404 167 I HA 0.514 4.700 4.170 0.026 0.000 0.293 167 I C -0.776 175.427 176.117 0.145 0.000 0.992 167 I CA -0.985 60.407 61.300 0.153 0.000 1.149 167 I CB 1.970 40.112 38.000 0.237 0.000 1.315 167 I HN 0.258 nan 8.210 nan 0.000 0.446 168 V N 5.499 125.493 119.914 0.134 0.000 2.398 168 V HA 0.708 4.844 4.120 0.026 0.000 0.286 168 V C 0.223 176.296 176.094 -0.035 0.000 1.026 168 V CA -0.420 61.896 62.300 0.028 0.000 0.868 168 V CB 1.438 33.249 31.823 -0.021 0.000 0.982 168 V HN 0.845 nan 8.190 nan 0.000 0.443 169 A N 4.103 126.782 122.820 -0.235 0.000 2.356 169 A HA 1.060 5.396 4.320 0.026 0.000 0.323 169 A C -0.005 177.487 177.584 -0.152 0.000 1.119 169 A CA 0.042 51.804 52.037 -0.459 0.000 0.790 169 A CB 1.592 19.925 19.000 -1.111 0.000 1.273 169 A HN 2.463 nan 8.150 nan 0.000 0.452 170 A N -0.791 122.014 122.820 -0.024 0.000 2.435 170 A HA 0.576 4.912 4.320 0.026 0.000 0.686 170 A C -0.345 177.361 177.584 0.203 0.000 0.140 170 A CA -0.038 52.077 52.037 0.129 0.000 0.030 170 A CB -1.426 17.651 19.000 0.129 0.000 3.972 170 A HN 2.971 nan 8.150 nan 0.000 0.548 171 A N -0.730 122.231 122.820 0.234 0.000 2.610 171 A HA 0.943 5.279 4.320 0.026 0.000 0.291 171 A C 0.619 178.264 177.584 0.101 0.000 1.086 171 A CA 0.730 52.884 52.037 0.196 0.000 0.677 171 A CB 0.524 19.628 19.000 0.174 0.000 1.278 171 A HN 2.462 nan 8.150 nan 0.000 0.414 172 S N -0.603 115.105 115.700 0.014 0.000 2.502 172 S HA 0.479 4.965 4.470 0.026 0.000 0.215 172 S C 0.753 175.125 174.600 -0.379 0.000 1.009 172 S CA 0.811 58.901 58.200 -0.183 0.000 0.908 172 S CB 0.509 63.757 63.200 0.081 0.000 0.801 172 S HN 2.148 nan 8.310 nan 0.000 0.505 173 A N 0.412 123.146 122.820 -0.143 0.000 3.106 173 A HA 0.516 4.852 4.320 0.026 0.000 0.227 173 A C -0.896 176.707 177.584 0.032 0.000 0.920 173 A CA -0.429 51.542 52.037 -0.109 0.000 1.088 173 A CB -0.041 18.914 19.000 -0.074 0.000 1.233 173 A HN 0.425 nan 8.150 nan 0.000 0.503 174 Y N 1.874 122.123 120.300 -0.085 0.000 2.356 174 Y HA 0.535 5.101 4.550 0.026 0.000 0.334 174 Y C -2.169 173.727 175.900 -0.007 0.000 0.958 174 Y CA -2.348 55.748 58.100 -0.008 0.000 1.196 174 Y CB 2.086 40.583 38.460 0.061 0.000 1.137 174 Y HN 0.247 nan 8.280 nan 0.000 0.485 175 P HA 0.085 nan 4.420 nan 0.000 0.249 175 P C -0.256 176.832 177.300 -0.353 0.000 1.229 175 P CA 0.620 63.538 63.100 -0.304 0.000 0.788 175 P CB 0.498 32.068 31.700 -0.217 0.000 1.072 176 R N -0.151 119.926 120.500 -0.705 0.000 2.873 176 R HA 0.483 4.839 4.340 0.026 0.000 0.264 176 R C 0.370 176.613 176.300 -0.095 0.000 1.026 176 R CA -1.479 54.372 56.100 -0.415 0.000 1.002 176 R CB 0.768 30.817 30.300 -0.419 0.000 1.174 176 R HN -0.001 nan 8.270 nan 0.000 0.488 177 I N 2.160 122.747 120.570 0.028 0.000 2.683 177 I HA -0.007 4.179 4.170 0.026 0.000 0.286 177 I C 0.580 176.806 176.117 0.181 0.000 1.175 177 I CA 0.497 61.827 61.300 0.050 0.000 1.429 177 I CB 0.267 38.142 38.000 -0.209 0.000 1.371 177 I HN 0.242 nan 8.210 nan 0.000 0.569 178 I N 5.694 126.374 120.570 0.184 0.000 2.396 178 I HA 0.087 4.272 4.170 0.026 0.000 0.292 178 I C 0.277 176.157 176.117 -0.394 0.000 0.999 178 I CA -0.235 61.082 61.300 0.028 0.000 1.310 178 I CB 0.831 38.785 38.000 -0.076 0.000 1.404 178 I HN 0.495 nan 8.210 nan 0.000 0.496 179 D N 6.435 126.789 120.400 -0.076 0.000 2.468 179 D HA 0.138 4.794 4.640 0.026 0.000 0.218 179 D C 0.734 176.969 176.300 -0.108 0.000 1.155 179 D CA -0.035 53.814 54.000 -0.252 0.000 0.924 179 D CB 0.318 40.847 40.800 -0.452 0.000 1.029 179 D HN 0.349 nan 8.370 nan 0.000 0.515 180 F N 1.809 121.751 119.950 -0.013 0.000 2.234 180 F HA -0.096 4.446 4.527 0.026 0.000 0.299 180 F C 2.517 178.104 175.800 -0.355 0.000 1.087 180 F CA 0.556 58.513 58.000 -0.072 0.000 1.340 180 F CB -0.051 38.901 39.000 -0.080 0.000 1.031 180 F HN 0.432 nan 8.300 nan 0.000 0.500 181 A N 0.610 123.056 122.820 -0.623 0.000 1.883 181 A HA -0.215 4.121 4.320 0.026 0.000 0.217 181 A C 2.202 179.689 177.584 -0.161 0.000 1.186 181 A CA 1.687 53.398 52.037 -0.542 0.000 0.624 181 A CB -0.570 18.165 19.000 -0.442 0.000 0.822 181 A HN 0.300 nan 8.150 nan 0.000 0.444 182 K N -1.595 118.687 120.400 -0.198 0.000 2.057 182 K HA -0.076 4.260 4.320 0.026 0.000 0.206 182 K C 1.693 178.241 176.600 -0.088 0.000 1.050 182 K CA 1.424 57.585 56.287 -0.211 0.000 0.935 182 K CB -0.339 31.852 32.500 -0.515 0.000 0.715 182 K HN 0.464 nan 8.250 nan 0.000 0.439 183 F N 1.231 121.198 119.950 0.029 0.000 2.126 183 F HA -0.211 4.333 4.527 0.028 0.000 0.299 183 F C 2.626 178.472 175.800 0.076 0.000 1.096 183 F CA 1.367 59.416 58.000 0.082 0.000 1.255 183 F CB -0.198 38.892 39.000 0.150 0.000 0.997 183 F HN -0.057 nan 8.300 nan 0.000 0.479 184 R N 0.876 121.532 120.500 0.260 0.000 2.092 184 R HA -0.160 4.196 4.340 0.026 0.000 0.231 184 R C 2.042 178.420 176.300 0.130 0.000 1.119 184 R CA 1.788 58.008 56.100 0.200 0.000 0.970 184 R CB -0.772 29.663 30.300 0.225 0.000 0.864 184 R HN 0.415 nan 8.270 nan 0.000 0.440 185 E N -0.222 120.025 120.200 0.079 0.000 2.085 185 E HA -0.187 4.178 4.350 0.026 0.000 0.194 185 E C 1.866 178.484 176.600 0.029 0.000 0.994 185 E CA 1.719 58.142 56.400 0.038 0.000 0.801 185 E CB -0.141 29.556 29.700 -0.005 0.000 0.743 185 E HN 0.433 nan 8.360 nan 0.000 0.453 186 I N 0.769 121.349 120.570 0.018 0.000 2.252 186 I HA -0.239 3.947 4.170 0.026 0.000 0.245 186 I C 2.584 178.730 176.117 0.049 0.000 1.102 186 I CA 0.937 62.242 61.300 0.007 0.000 1.385 186 I CB -0.328 37.643 38.000 -0.048 0.000 1.064 186 I HN 0.173 nan 8.210 nan 0.000 0.414 187 A N 0.616 123.497 122.820 0.102 0.000 1.883 187 A HA -0.272 4.064 4.320 0.026 0.000 0.217 187 A C 1.950 179.584 177.584 0.083 0.000 1.186 187 A CA 2.279 54.389 52.037 0.121 0.000 0.624 187 A CB -0.682 18.437 19.000 0.199 0.000 0.822 187 A HN 0.348 nan 8.150 nan 0.000 0.444 188 D N -0.822 119.628 120.400 0.084 0.000 2.144 188 D HA -0.151 4.505 4.640 0.026 0.000 0.199 188 D C 1.881 178.198 176.300 0.028 0.000 0.984 188 D CA 1.449 55.483 54.000 0.057 0.000 0.834 188 D CB -0.335 40.501 40.800 0.059 0.000 0.955 188 D HN 0.750 nan 8.370 nan 0.000 0.465 189 E N 0.303 120.517 120.200 0.023 0.000 2.110 189 E HA -0.134 4.232 4.350 0.026 0.000 0.193 189 E C 1.725 178.327 176.600 0.004 0.000 0.988 189 E CA 1.096 57.502 56.400 0.009 0.000 0.804 189 E CB 0.301 30.003 29.700 0.004 0.000 0.745 189 E HN 0.234 nan 8.360 nan 0.000 0.458 190 V N -3.326 116.593 119.914 0.008 0.000 3.621 190 V HA 0.426 4.562 4.120 0.026 0.000 0.285 190 V C 1.038 177.125 176.094 -0.012 0.000 1.346 190 V CA 0.366 62.667 62.300 0.002 0.000 1.104 190 V CB 0.037 31.867 31.823 0.012 0.000 0.913 190 V HN 0.265 nan 8.190 nan 0.000 0.432 191 G N 0.448 109.236 108.800 -0.021 0.000 2.246 191 G HA2 -0.010 3.966 3.960 0.026 0.000 0.273 191 G HA3 -0.010 3.966 3.960 0.026 0.000 0.273 191 G C 0.202 175.036 174.900 -0.111 0.000 1.055 191 G CA 0.418 45.480 45.100 -0.063 0.000 0.851 191 G HN 1.662 nan 8.290 nan 0.000 0.500 192 A N -0.616 122.165 122.820 -0.064 0.000 2.312 192 A HA 0.825 5.161 4.320 0.026 0.000 0.328 192 A C 0.045 177.586 177.584 -0.071 0.000 1.158 192 A CA -0.808 51.197 52.037 -0.053 0.000 0.821 192 A CB 0.849 19.873 19.000 0.040 0.000 1.170 192 A HN 0.546 nan 8.150 nan 0.000 0.490 193 Y N 0.141 120.426 120.300 -0.025 0.000 2.457 193 Y HA 0.340 4.906 4.550 0.027 0.000 0.341 193 Y C 0.319 176.343 175.900 0.207 0.000 1.240 193 Y CA 0.372 58.445 58.100 -0.045 0.000 1.437 193 Y CB 0.625 39.051 38.460 -0.056 0.000 1.328 193 Y HN 0.546 nan 8.280 nan 0.000 0.588 194 L N 4.934 126.533 121.223 0.627 0.000 2.305 194 L HA 0.503 4.859 4.340 0.026 0.000 0.284 194 L C -0.798 176.275 176.870 0.338 0.000 1.013 194 L CA -0.831 54.240 54.840 0.386 0.000 0.819 194 L CB 1.101 43.336 42.059 0.292 0.000 1.227 194 L HN 0.729 nan 8.230 nan 0.000 0.417 195 M N 5.749 125.488 119.600 0.230 0.000 2.294 195 M HA 0.604 5.100 4.480 0.026 0.000 0.335 195 M C -1.720 174.592 176.300 0.020 0.000 1.079 195 M CA -0.629 54.771 55.300 0.166 0.000 0.982 195 M CB 1.589 34.271 32.600 0.137 0.000 1.651 195 M HN 0.410 nan 8.290 nan 0.000 0.437 196 V N 4.233 124.120 119.914 -0.045 0.000 2.384 196 V HA 0.271 4.407 4.120 0.026 0.000 0.287 196 V C -0.629 175.402 176.094 -0.105 0.000 1.020 196 V CA -0.599 61.623 62.300 -0.130 0.000 0.850 196 V CB 1.571 33.196 31.823 -0.331 0.000 0.987 196 V HN 0.769 nan 8.190 nan 0.000 0.436 197 D N 5.708 126.072 120.400 -0.061 0.000 2.479 197 D HA 0.238 4.893 4.640 0.026 0.000 0.218 197 D C 0.783 177.090 176.300 0.011 0.000 1.131 197 D CA -0.448 53.547 54.000 -0.007 0.000 0.916 197 D CB 1.107 41.977 40.800 0.117 0.000 1.022 197 D HN 0.611 nan 8.370 nan 0.000 0.515 198 M N 1.634 121.195 119.600 -0.065 0.000 2.530 198 M HA 0.361 4.857 4.480 0.026 0.000 0.231 198 M C 1.400 177.664 176.300 -0.060 0.000 1.180 198 M CA -0.365 54.901 55.300 -0.057 0.000 0.985 198 M CB 0.659 33.174 32.600 -0.143 0.000 1.623 198 M HN 0.126 nan 8.290 nan 0.000 0.475 199 A N 1.263 124.048 122.820 -0.058 0.000 1.896 199 A HA -0.249 4.087 4.320 0.026 0.000 0.220 199 A C 2.108 179.606 177.584 -0.144 0.000 1.206 199 A CA 2.197 54.157 52.037 -0.129 0.000 0.647 199 A CB -1.401 17.506 19.000 -0.157 0.000 0.828 199 A HN 0.759 nan 8.150 nan 0.000 0.455 200 H N -0.512 118.511 119.070 -0.079 0.000 2.389 200 H HA -0.037 4.537 4.556 0.029 0.000 0.299 200 H C 1.920 177.099 175.328 -0.249 0.000 1.081 200 H CA 1.791 57.794 56.048 -0.075 0.000 1.345 200 H CB -0.024 29.823 29.762 0.143 0.000 1.393 200 H HN 0.737 nan 8.280 nan 0.000 0.520 201 I N -2.742 117.808 120.570 -0.034 0.000 3.956 201 I HA 0.335 4.521 4.170 0.026 0.000 0.333 201 I C 2.248 178.350 176.117 -0.025 0.000 1.302 201 I CA 0.248 61.494 61.300 -0.091 0.000 1.122 201 I CB 0.131 38.040 38.000 -0.153 0.000 1.013 201 I HN -0.092 nan 8.210 nan 0.000 0.405 202 A N 2.288 125.100 122.820 -0.013 0.000 1.917 202 A HA -0.094 4.241 4.320 0.026 0.000 0.219 202 A C 2.345 180.099 177.584 0.283 0.000 1.182 202 A CA 2.121 54.212 52.037 0.090 0.000 0.633 202 A CB -1.438 17.561 19.000 -0.002 0.000 0.819 202 A HN 0.545 nan 8.150 nan 0.000 0.448 203 G N -0.285 108.653 108.800 0.231 0.000 2.408 203 G HA2 -0.115 3.861 3.960 0.026 0.000 0.217 203 G HA3 -0.115 3.861 3.960 0.026 0.000 0.217 203 G C 1.527 176.631 174.900 0.339 0.000 1.150 203 G CA 0.985 46.328 45.100 0.404 0.000 0.776 203 G HN 0.460 nan 8.290 nan 0.000 0.542 204 L N 0.279 121.608 121.223 0.178 0.000 2.056 204 L HA -0.057 4.298 4.340 0.026 0.000 0.207 204 L C 2.941 179.947 176.870 0.227 0.000 1.078 204 L CA 0.366 55.300 54.840 0.157 0.000 0.749 204 L CB -0.739 41.401 42.059 0.134 0.000 0.901 204 L HN 0.057 nan 8.230 nan 0.000 0.433 205 V N 0.617 120.691 119.914 0.267 0.000 2.287 205 V HA -0.310 3.825 4.120 0.026 0.000 0.248 205 V C 2.859 179.108 176.094 0.259 0.000 1.053 205 V CA 1.936 64.429 62.300 0.323 0.000 1.027 205 V CB -0.927 31.116 31.823 0.367 0.000 0.646 205 V HN 0.491 nan 8.190 nan 0.000 0.447 206 A N -0.242 122.712 122.820 0.223 0.000 1.978 206 A HA -0.083 4.253 4.320 0.026 0.000 0.220 206 A C 2.163 179.777 177.584 0.051 0.000 1.170 206 A CA 2.011 53.992 52.037 -0.093 0.000 0.636 206 A CB -0.532 18.323 19.000 -0.241 0.000 0.810 206 A HN 0.637 nan 8.150 nan 0.000 0.448 207 A N -1.991 120.940 122.820 0.184 0.000 2.275 207 A HA 0.442 4.778 4.320 0.026 0.000 0.212 207 A C 1.665 179.314 177.584 0.109 0.000 1.201 207 A CA 1.049 53.187 52.037 0.168 0.000 0.843 207 A CB -0.842 18.254 19.000 0.161 0.000 0.873 207 A HN 1.875 nan 8.150 nan 0.000 0.492 208 G N -0.872 107.998 108.800 0.116 0.000 2.160 208 G HA2 -0.242 3.733 3.960 0.026 0.000 0.251 208 G HA3 -0.242 3.733 3.960 0.026 0.000 0.251 208 G C 0.532 175.497 174.900 0.109 0.000 1.008 208 G CA 0.575 45.740 45.100 0.107 0.000 0.724 208 G HN 0.529 nan 8.290 nan 0.000 0.514 209 L N -0.514 120.788 121.223 0.132 0.000 2.693 209 L HA 0.375 4.731 4.340 0.026 0.000 0.235 209 L C 0.908 177.884 176.870 0.176 0.000 1.127 209 L CA -0.172 54.738 54.840 0.117 0.000 0.914 209 L CB 0.303 42.411 42.059 0.082 0.000 1.193 209 L HN 0.411 nan 8.230 nan 0.000 0.502 210 H N 0.391 119.537 119.070 0.127 0.000 2.806 210 H HA 0.354 4.927 4.556 0.027 0.000 0.367 210 H C -2.686 172.765 175.328 0.205 0.000 1.136 210 H CA -1.851 54.291 56.048 0.157 0.000 1.178 210 H CB 2.732 32.608 29.762 0.191 0.000 1.718 210 H HN -0.254 nan 8.280 nan 0.000 0.540 211 P HA -0.073 nan 4.420 nan 0.000 0.265 211 P C -0.197 177.463 177.300 0.600 0.000 1.187 211 P CA 0.212 63.495 63.100 0.305 0.000 0.766 211 P CB 0.485 32.286 31.700 0.170 0.000 0.820 212 N N 4.077 123.041 118.700 0.441 0.000 2.430 212 N HA 0.095 4.851 4.740 0.026 0.000 0.265 212 N C -1.495 174.189 175.510 0.290 0.000 1.100 212 N CA -2.223 51.030 53.050 0.338 0.000 0.961 212 N CB 0.451 39.075 38.487 0.229 0.000 1.075 212 N HN 0.220 nan 8.380 nan 0.000 0.478 213 P HA -0.066 nan 4.420 nan 0.000 0.229 213 P C 1.365 178.577 177.300 -0.147 0.000 1.160 213 P CA 0.374 63.173 63.100 -0.500 0.000 0.777 213 P CB 0.517 31.487 31.700 -1.216 0.000 0.814 214 V N 1.986 121.842 119.914 -0.096 0.000 2.278 214 V HA -0.181 3.954 4.120 0.026 0.000 0.251 214 V C -0.235 175.791 176.094 -0.112 0.000 1.062 214 V CA 2.740 64.988 62.300 -0.086 0.000 1.038 214 V CB -2.531 29.274 31.823 -0.030 0.000 0.646 214 V HN 0.208 nan 8.190 nan 0.000 0.447 215 P HA -0.104 nan 4.420 nan 0.000 0.222 215 P C 0.881 177.931 177.300 -0.417 0.000 1.147 215 P CA 1.438 64.331 63.100 -0.345 0.000 0.790 215 P CB -0.069 31.309 31.700 -0.537 0.000 0.780 216 Y N -1.323 118.946 120.300 -0.052 0.000 2.498 216 Y HA 0.434 4.999 4.550 0.026 0.000 0.259 216 Y C 1.337 177.162 175.900 -0.124 0.000 1.086 216 Y CA -0.339 57.736 58.100 -0.042 0.000 1.287 216 Y CB -0.331 38.174 38.460 0.074 0.000 1.146 216 Y HN -0.202 nan 8.280 nan 0.000 0.523 217 A N -0.566 122.237 122.820 -0.029 0.000 2.312 217 A HA 0.391 4.727 4.320 0.026 0.000 0.326 217 A C -0.093 177.371 177.584 -0.199 0.000 1.172 217 A CA -0.428 51.554 52.037 -0.091 0.000 0.821 217 A CB 0.329 19.277 19.000 -0.086 0.000 1.166 217 A HN 0.456 nan 8.150 nan 0.000 0.493 218 H N 0.765 119.778 119.070 -0.094 0.000 2.395 218 H HA 0.129 4.700 4.556 0.026 0.000 0.299 218 H C -0.681 174.168 175.328 -0.799 0.000 1.070 218 H CA 2.008 57.821 56.048 -0.392 0.000 1.356 218 H CB -0.006 29.416 29.762 -0.566 0.000 1.401 218 H HN 0.574 nan 8.280 nan 0.000 0.524 219 F N -0.493 119.487 119.950 0.050 0.000 2.556 219 F HA 0.476 5.019 4.527 0.026 0.000 0.314 219 F C -0.893 174.862 175.800 -0.076 0.000 1.106 219 F CA -1.204 56.775 58.000 -0.036 0.000 0.911 219 F CB 1.944 40.878 39.000 -0.109 0.000 1.190 219 F HN -0.347 nan 8.300 nan 0.000 0.448 220 V N 1.735 121.686 119.914 0.060 0.000 2.444 220 V HA 0.577 4.713 4.120 0.026 0.000 0.294 220 V C -0.244 175.801 176.094 -0.081 0.000 1.022 220 V CA -0.712 61.544 62.300 -0.072 0.000 0.850 220 V CB 1.923 33.636 31.823 -0.183 0.000 0.992 220 V HN 0.891 nan 8.190 nan 0.000 0.426 221 T N 0.887 115.386 114.554 -0.091 0.000 2.945 221 T HA 0.834 5.200 4.350 0.026 0.000 0.286 221 T C -0.300 174.320 174.700 -0.133 0.000 1.025 221 T CA -0.646 61.395 62.100 -0.099 0.000 1.039 221 T CB 2.129 70.948 68.868 -0.082 0.000 1.068 221 T HN 0.723 nan 8.240 nan 0.000 0.497 222 T N 0.481 114.957 114.554 -0.130 0.000 2.830 222 T HA 0.588 4.954 4.350 0.026 0.000 0.322 222 T C -0.655 173.970 174.700 -0.124 0.000 1.501 222 T CA -0.403 61.607 62.100 -0.150 0.000 1.036 222 T CB 1.386 70.120 68.868 -0.223 0.000 1.379 222 T HN 1.187 nan 8.240 nan 0.000 0.493 223 T N -0.141 114.303 114.554 -0.183 0.000 2.902 223 T HA 0.476 4.842 4.350 0.026 0.000 0.280 223 T C 1.383 175.981 174.700 -0.170 0.000 0.992 223 T CA 0.136 62.095 62.100 -0.235 0.000 1.015 223 T CB 1.055 69.546 68.868 -0.628 0.000 1.044 223 T HN 0.750 nan 8.240 nan 0.000 0.520 224 T N -2.164 112.362 114.554 -0.047 0.000 3.060 224 T HA 0.039 4.404 4.350 0.026 0.000 0.249 224 T C 1.240 175.974 174.700 0.057 0.000 1.079 224 T CA 0.176 62.327 62.100 0.086 0.000 1.013 224 T CB -0.462 68.501 68.868 0.160 0.000 0.975 224 T HN 0.922 nan 8.240 nan 0.000 0.518 225 H N -0.104 118.963 119.070 -0.006 0.000 2.652 225 H HA 0.467 5.040 4.556 0.028 0.000 0.274 225 H C 0.791 176.087 175.328 -0.053 0.000 1.021 225 H CA -0.516 55.515 56.048 -0.028 0.000 1.187 225 H CB 0.340 30.075 29.762 -0.046 0.000 1.505 225 H HN 0.279 nan 8.280 nan 0.000 0.530 226 K N 1.138 121.421 120.400 -0.195 0.000 3.860 226 K HA 0.068 4.404 4.320 0.026 0.000 0.165 226 K C 1.937 178.499 176.600 -0.062 0.000 1.146 226 K CA 0.729 56.906 56.287 -0.184 0.000 1.673 226 K CB -0.280 31.988 32.500 -0.385 0.000 2.306 226 K HN 0.125 nan 8.250 nan 0.000 0.504 227 T N 0.356 114.850 114.554 -0.100 0.000 3.007 227 T HA -0.081 4.285 4.350 0.026 0.000 0.270 227 T C 1.778 176.637 174.700 0.265 0.000 1.107 227 T CA 0.714 62.830 62.100 0.028 0.000 1.118 227 T CB -0.094 68.697 68.868 -0.129 0.000 0.889 227 T HN 0.068 nan 8.240 nan 0.000 0.506 228 L N 1.138 122.479 121.223 0.197 0.000 2.465 228 L HA 0.344 4.700 4.340 0.026 0.000 0.224 228 L C 1.593 178.609 176.870 0.244 0.000 1.145 228 L CA 0.856 55.852 54.840 0.260 0.000 0.834 228 L CB -1.172 41.002 42.059 0.192 0.000 0.944 228 L HN 0.420 nan 8.230 nan 0.000 0.451 229 R N -1.048 119.579 120.500 0.211 0.000 3.525 229 R HA -0.161 4.195 4.340 0.026 0.000 0.276 229 R C 0.446 176.805 176.300 0.098 0.000 1.116 229 R CA 0.450 56.650 56.100 0.166 0.000 0.745 229 R CB -1.668 28.775 30.300 0.238 0.000 1.185 229 R HN 0.547 nan 8.270 nan 0.000 0.454 230 G N 0.050 108.901 108.800 0.086 0.000 2.887 230 G HA2 0.690 4.666 3.960 0.026 0.000 0.277 230 G HA3 0.690 4.666 3.960 0.026 0.000 0.277 230 G C -2.606 172.318 174.900 0.040 0.000 1.346 230 G CA -0.989 44.130 45.100 0.032 0.000 1.058 230 G HN 0.120 nan 8.290 nan 0.000 0.535 231 P HA 0.171 nan 4.420 nan 0.000 0.273 231 P C -0.570 176.750 177.300 0.033 0.000 1.250 231 P CA -0.491 62.600 63.100 -0.016 0.000 0.793 231 P CB 0.994 32.651 31.700 -0.072 0.000 1.011 232 R N 0.338 120.803 120.500 -0.059 0.000 2.351 232 R HA 0.498 4.854 4.340 0.026 0.000 0.318 232 R C 0.326 176.606 176.300 -0.033 0.000 1.055 232 R CA 0.581 56.562 56.100 -0.198 0.000 0.968 232 R CB -0.631 29.440 30.300 -0.381 0.000 0.974 232 R HN 0.842 nan 8.270 nan 0.000 0.439 233 G N 1.372 110.288 108.800 0.193 0.000 2.320 233 G HA2 0.412 4.388 3.960 0.026 0.000 0.296 233 G HA3 0.412 4.388 3.960 0.026 0.000 0.296 233 G C -1.315 173.682 174.900 0.162 0.000 1.306 233 G CA -0.407 44.770 45.100 0.129 0.000 0.836 233 G HN 0.767 nan 8.290 nan 0.000 0.517 234 G N -1.368 107.483 108.800 0.086 0.000 2.685 234 G HA2 0.825 4.801 3.960 0.026 0.000 0.298 234 G HA3 0.825 4.801 3.960 0.026 0.000 0.298 234 G C -0.832 174.093 174.900 0.042 0.000 1.277 234 G CA -0.429 44.700 45.100 0.047 0.000 0.986 234 G HN 1.169 nan 8.290 nan 0.000 0.487 235 M N -0.141 119.466 119.600 0.011 0.000 2.471 235 M HA 0.605 5.101 4.480 0.026 0.000 0.284 235 M C -2.110 174.168 176.300 -0.036 0.000 1.203 235 M CA -0.646 54.661 55.300 0.011 0.000 0.915 235 M CB 2.198 34.826 32.600 0.046 0.000 1.734 235 M HN 0.403 nan 8.290 nan 0.000 0.485 236 I N 4.549 125.106 120.570 -0.021 0.000 2.465 236 I HA 0.498 4.684 4.170 0.026 0.000 0.291 236 I C -1.259 174.848 176.117 -0.016 0.000 1.014 236 I CA -0.738 60.555 61.300 -0.012 0.000 1.093 236 I CB 1.971 39.994 38.000 0.038 0.000 1.267 236 I HN 0.595 nan 8.210 nan 0.000 0.431 237 L N 6.043 127.250 121.223 -0.028 0.000 2.346 237 L HA 0.818 5.174 4.340 0.026 0.000 0.274 237 L C -0.537 176.378 176.870 0.075 0.000 1.007 237 L CA -0.637 54.193 54.840 -0.017 0.000 0.818 237 L CB 1.920 43.912 42.059 -0.112 0.000 1.284 237 L HN 0.808 nan 8.230 nan 0.000 0.424 238 C N -0.225 119.149 119.300 0.124 0.000 3.306 238 C HA 0.452 4.928 4.460 0.026 0.000 0.335 238 C C -0.821 174.252 174.990 0.137 0.000 1.382 238 C CA -1.053 58.053 59.018 0.146 0.000 1.254 238 C CB 1.801 29.715 27.740 0.290 0.000 1.555 238 C HN 0.874 nan 8.230 nan 0.000 0.463 239 Q N 0.971 120.841 119.800 0.117 0.000 2.417 239 Q HA 0.219 4.574 4.340 0.026 0.000 0.241 239 Q C 0.706 176.699 176.000 -0.012 0.000 1.008 239 Q CA 0.076 55.898 55.803 0.032 0.000 0.901 239 Q CB 0.932 29.648 28.738 -0.038 0.000 1.259 239 Q HN 0.868 nan 8.270 nan 0.000 0.489 240 E N 1.588 121.753 120.200 -0.059 0.000 2.171 240 E HA -0.283 4.083 4.350 0.026 0.000 0.197 240 E C 1.950 178.435 176.600 -0.190 0.000 0.997 240 E CA 2.314 58.654 56.400 -0.101 0.000 0.810 240 E CB -0.082 29.570 29.700 -0.080 0.000 0.738 240 E HN 0.775 nan 8.360 nan 0.000 0.467 241 Q N -1.280 118.332 119.800 -0.314 0.000 2.291 241 Q HA -0.151 4.205 4.340 0.026 0.000 0.206 241 Q C 1.028 176.734 176.000 -0.490 0.000 0.976 241 Q CA 1.479 57.003 55.803 -0.465 0.000 0.875 241 Q CB -0.312 28.037 28.738 -0.647 0.000 0.927 241 Q HN 0.336 nan 8.270 nan 0.000 0.450 242 F N -0.152 119.780 119.950 -0.030 0.000 2.678 242 F HA 0.499 5.042 4.527 0.026 0.000 0.305 242 F C 2.092 177.876 175.800 -0.026 0.000 1.090 242 F CA -0.267 57.750 58.000 0.028 0.000 1.272 242 F CB -0.095 38.978 39.000 0.122 0.000 1.060 242 F HN 0.140 nan 8.300 nan 0.000 0.576 243 A N 0.765 123.543 122.820 -0.070 0.000 1.892 243 A HA -0.272 4.063 4.320 0.026 0.000 0.218 243 A C 2.361 179.753 177.584 -0.321 0.000 1.188 243 A CA 2.146 53.908 52.037 -0.458 0.000 0.631 243 A CB -0.638 17.851 19.000 -0.853 0.000 0.822 243 A HN 0.332 nan 8.150 nan 0.000 0.447 244 K N -0.767 119.523 120.400 -0.184 0.000 2.026 244 K HA -0.202 4.134 4.320 0.026 0.000 0.208 244 K C 2.326 178.908 176.600 -0.029 0.000 1.048 244 K CA 1.737 57.957 56.287 -0.111 0.000 0.929 244 K CB -0.203 32.255 32.500 -0.069 0.000 0.713 244 K HN 0.643 nan 8.250 nan 0.000 0.439 245 Q N 0.185 120.006 119.800 0.036 0.000 2.084 245 Q HA -0.130 4.226 4.340 0.026 0.000 0.202 245 Q C 2.112 178.165 176.000 0.088 0.000 0.978 245 Q CA 1.219 57.067 55.803 0.076 0.000 0.844 245 Q CB 0.003 28.816 28.738 0.124 0.000 0.898 245 Q HN 0.301 nan 8.270 nan 0.000 0.426 246 I N 1.369 122.009 120.570 0.115 0.000 2.179 246 I HA -0.261 3.924 4.170 0.026 0.000 0.242 246 I C 1.589 177.776 176.117 0.116 0.000 1.088 246 I CA 1.491 62.866 61.300 0.126 0.000 1.357 246 I CB -1.013 37.114 38.000 0.213 0.000 1.051 246 I HN 0.229 nan 8.210 nan 0.000 0.409 247 D N 0.928 121.357 120.400 0.049 0.000 2.123 247 D HA -0.180 4.476 4.640 0.026 0.000 0.196 247 D C 2.215 178.624 176.300 0.183 0.000 0.992 247 D CA 1.206 55.192 54.000 -0.024 0.000 0.833 247 D CB -0.163 40.349 40.800 -0.479 0.000 0.954 247 D HN 0.323 nan 8.370 nan 0.000 0.455 248 K N 0.386 120.859 120.400 0.122 0.000 2.148 248 K HA -0.008 4.328 4.320 0.026 0.000 0.204 248 K C 2.071 178.769 176.600 0.164 0.000 1.050 248 K CA 0.937 57.309 56.287 0.141 0.000 0.942 248 K CB -0.011 32.541 32.500 0.087 0.000 0.724 248 K HN 0.031 nan 8.250 nan 0.000 0.446 249 A N 1.490 124.425 122.820 0.191 0.000 1.902 249 A HA -0.150 4.186 4.320 0.026 0.000 0.217 249 A C 2.035 179.685 177.584 0.110 0.000 1.181 249 A CA 1.151 53.344 52.037 0.259 0.000 0.623 249 A CB -0.345 18.808 19.000 0.254 0.000 0.818 249 A HN 0.090 nan 8.150 nan 0.000 0.443 250 I N -2.653 118.002 120.570 0.141 0.000 2.202 250 I HA 0.032 4.218 4.170 0.026 0.000 0.242 250 I C 0.527 176.749 176.117 0.174 0.000 1.091 250 I CA 1.292 62.662 61.300 0.117 0.000 1.368 250 I CB -0.554 37.553 38.000 0.177 0.000 1.058 250 I HN 0.343 nan 8.210 nan 0.000 0.410 251 F N 2.423 122.438 119.950 0.107 0.000 2.588 251 F HA 0.409 4.954 4.527 0.029 0.000 0.318 251 F C -2.266 173.612 175.800 0.129 0.000 1.155 251 F CA -1.845 56.189 58.000 0.057 0.000 0.967 251 F CB 1.945 40.917 39.000 -0.047 0.000 1.236 251 F HN -0.241 nan 8.300 nan 0.000 0.455 252 P HA 0.184 nan 4.420 nan 0.000 0.256 252 P C 0.913 178.000 177.300 -0.355 0.000 1.384 252 P CA 0.499 62.986 63.100 -1.022 0.000 0.879 252 P CB 0.350 31.504 31.700 -0.910 0.000 1.403 253 G N 2.242 110.944 108.800 -0.163 0.000 2.505 253 G HA2 -0.181 3.795 3.960 0.026 0.000 0.214 253 G HA3 -0.181 3.795 3.960 0.026 0.000 0.214 253 G C 1.267 175.908 174.900 -0.431 0.000 1.237 253 G CA 1.033 46.019 45.100 -0.190 0.000 0.802 253 G HN 0.434 nan 8.290 nan 0.000 0.549 254 I N -3.504 116.860 120.570 -0.344 0.000 4.403 254 I HA 0.446 4.632 4.170 0.026 0.000 0.331 254 I C 0.514 176.543 176.117 -0.146 0.000 1.327 254 I CA -0.221 60.877 61.300 -0.337 0.000 1.175 254 I CB 0.581 38.341 38.000 -0.399 0.000 1.165 254 I HN 0.050 nan 8.210 nan 0.000 0.413 255 Q N 0.829 120.601 119.800 -0.047 0.000 2.552 255 Q HA 0.653 5.008 4.340 0.026 0.000 0.289 255 Q C -0.065 176.067 176.000 0.221 0.000 1.097 255 Q CA -0.449 55.379 55.803 0.042 0.000 0.812 255 Q CB 2.450 31.119 28.738 -0.115 0.000 1.460 255 Q HN 0.258 nan 8.270 nan 0.000 0.452 256 G N -0.404 108.536 108.800 0.233 0.000 3.345 256 G HA2 0.443 4.419 3.960 0.026 0.000 0.202 256 G HA3 0.443 4.419 3.960 0.026 0.000 0.202 256 G C -0.204 174.725 174.900 0.048 0.000 1.740 256 G CA -0.097 45.170 45.100 0.278 0.000 0.806 256 G HN 0.583 nan 8.290 nan 0.000 0.718 257 G N 2.037 110.914 108.800 0.127 0.000 2.365 257 G HA2 0.483 4.459 3.960 0.026 0.000 0.249 257 G HA3 0.483 4.459 3.960 0.026 0.000 0.249 257 G C -2.055 172.819 174.900 -0.042 0.000 1.288 257 G CA -0.321 44.764 45.100 -0.024 0.000 0.887 257 G HN 0.373 nan 8.290 nan 0.000 0.524 258 P HA 0.185 nan 4.420 nan 0.000 0.276 258 P C -0.148 177.136 177.300 -0.027 0.000 1.252 258 P CA -0.497 62.581 63.100 -0.038 0.000 0.802 258 P CB 1.279 32.892 31.700 -0.145 0.000 1.035 259 L N 2.408 123.630 121.223 -0.001 0.000 2.356 259 L HA 0.152 4.508 4.340 0.026 0.000 0.282 259 L C 1.808 178.576 176.870 -0.171 0.000 1.132 259 L CA -0.519 54.245 54.840 -0.128 0.000 0.923 259 L CB -0.052 41.837 42.059 -0.283 0.000 1.278 259 L HN 0.229 nan 8.230 nan 0.000 0.436 260 M N 1.527 121.122 119.600 -0.009 0.000 2.213 260 M HA -0.145 4.351 4.480 0.026 0.000 0.263 260 M C 2.384 178.693 176.300 0.015 0.000 1.062 260 M CA 1.510 56.810 55.300 0.001 0.000 1.105 260 M CB -1.060 31.554 32.600 0.023 0.000 1.385 260 M HN 0.644 nan 8.290 nan 0.000 0.417 261 H N -0.797 118.236 119.070 -0.060 0.000 2.387 261 H HA 0.022 4.584 4.556 0.009 0.000 0.299 261 H C 2.094 177.386 175.328 -0.059 0.000 1.090 261 H CA 1.464 57.478 56.048 -0.056 0.000 1.332 261 H CB -1.437 28.291 29.762 -0.056 0.000 1.386 261 H HN 0.244 nan 8.280 nan 0.000 0.516 262 V N 1.682 121.291 119.914 -0.508 0.000 2.427 262 V HA -0.178 3.958 4.120 0.026 0.000 0.248 262 V C 2.983 178.956 176.094 -0.201 0.000 1.051 262 V CA 1.481 63.586 62.300 -0.326 0.000 1.048 262 V CB -0.560 31.050 31.823 -0.355 0.000 0.666 262 V HN 0.251 nan 8.190 nan 0.000 0.456 263 I N 0.594 121.061 120.570 -0.170 0.000 2.226 263 I HA -0.232 3.953 4.170 0.026 0.000 0.245 263 I C 2.709 178.749 176.117 -0.129 0.000 1.100 263 I CA 1.377 62.603 61.300 -0.125 0.000 1.374 263 I CB -0.601 37.354 38.000 -0.075 0.000 1.057 263 I HN 0.292 nan 8.210 nan 0.000 0.413 264 A N 0.957 123.723 122.820 -0.091 0.000 1.892 264 A HA -0.249 4.087 4.320 0.026 0.000 0.218 264 A C 2.556 180.068 177.584 -0.120 0.000 1.188 264 A CA 2.162 54.155 52.037 -0.075 0.000 0.631 264 A CB -0.926 18.059 19.000 -0.026 0.000 0.822 264 A HN 0.445 nan 8.150 nan 0.000 0.447 265 A N -0.472 122.272 122.820 -0.127 0.000 1.933 265 A HA -0.164 4.172 4.320 0.026 0.000 0.218 265 A C 2.097 179.527 177.584 -0.256 0.000 1.175 265 A CA 1.837 53.786 52.037 -0.145 0.000 0.628 265 A CB -0.430 18.503 19.000 -0.111 0.000 0.814 265 A HN 0.577 nan 8.150 nan 0.000 0.444 266 K N -0.266 119.925 120.400 -0.347 0.000 2.032 266 K HA -0.116 4.220 4.320 0.026 0.000 0.209 266 K C 2.363 178.348 176.600 -1.025 0.000 1.048 266 K CA 1.225 57.082 56.287 -0.717 0.000 0.927 266 K CB -0.398 31.742 32.500 -0.601 0.000 0.712 266 K HN 0.438 nan 8.250 nan 0.000 0.441 267 A N 1.163 123.666 122.820 -0.528 0.000 1.892 267 A HA -0.173 4.163 4.320 0.026 0.000 0.218 267 A C 2.418 179.878 177.584 -0.207 0.000 1.188 267 A CA 1.845 53.714 52.037 -0.279 0.000 0.631 267 A CB -0.876 18.061 19.000 -0.104 0.000 0.822 267 A HN 0.094 nan 8.150 nan 0.000 0.447 268 V N -0.199 119.601 119.914 -0.189 0.000 2.287 268 V HA -0.272 3.863 4.120 0.026 0.000 0.248 268 V C 3.058 179.081 176.094 -0.118 0.000 1.053 268 V CA 2.098 64.329 62.300 -0.115 0.000 1.027 268 V CB -1.375 30.395 31.823 -0.089 0.000 0.646 268 V HN 0.639 nan 8.190 nan 0.000 0.447 269 A N -0.536 122.167 122.820 -0.195 0.000 1.933 269 A HA -0.164 4.171 4.320 0.026 0.000 0.218 269 A C 2.140 179.708 177.584 -0.026 0.000 1.175 269 A CA 1.779 53.737 52.037 -0.132 0.000 0.628 269 A CB -0.737 18.173 19.000 -0.151 0.000 0.814 269 A HN 0.552 nan 8.150 nan 0.000 0.444 270 F N -0.032 119.854 119.950 -0.106 0.000 2.186 270 F HA -0.087 4.463 4.527 0.038 0.000 0.299 270 F C 2.717 178.427 175.800 -0.150 0.000 1.090 270 F CA 0.217 58.134 58.000 -0.138 0.000 1.307 270 F CB -0.528 38.426 39.000 -0.076 0.000 1.019 270 F HN 0.369 nan 8.300 nan 0.000 0.489 271 G N 0.409 109.249 108.800 0.068 0.000 2.446 271 G HA2 -0.248 3.727 3.960 0.026 0.000 0.217 271 G HA3 -0.248 3.727 3.960 0.026 0.000 0.217 271 G C 1.374 176.262 174.900 -0.020 0.000 1.168 271 G CA 0.923 46.031 45.100 0.012 0.000 0.771 271 G HN 0.345 nan 8.290 nan 0.000 0.551 272 E N 0.559 120.736 120.200 -0.038 0.000 2.077 272 E HA -0.045 4.321 4.350 0.026 0.000 0.193 272 E C 2.886 179.419 176.600 -0.112 0.000 0.989 272 E CA 0.789 57.168 56.400 -0.035 0.000 0.800 272 E CB -0.206 29.483 29.700 -0.018 0.000 0.746 272 E HN 0.421 nan 8.360 nan 0.000 0.452 273 A N 0.949 123.563 122.820 -0.343 0.000 2.015 273 A HA -0.101 4.235 4.320 0.026 0.000 0.219 273 A C 2.086 179.494 177.584 -0.293 0.000 1.163 273 A CA 0.817 52.390 52.037 -0.773 0.000 0.646 273 A CB -0.408 18.057 19.000 -0.892 0.000 0.806 273 A HN 0.138 nan 8.150 nan 0.000 0.448 274 L N -0.560 120.575 121.223 -0.148 0.000 2.395 274 L HA -0.062 4.293 4.340 0.026 0.000 0.218 274 L C 0.939 177.810 176.870 0.001 0.000 1.130 274 L CA 0.186 54.982 54.840 -0.073 0.000 0.826 274 L CB -0.253 41.772 42.059 -0.058 0.000 0.941 274 L HN 0.486 nan 8.230 nan 0.000 0.451 275 Q N -0.161 119.662 119.800 0.038 0.000 2.354 275 Q HA -0.018 4.338 4.340 0.026 0.000 0.244 275 Q C 0.428 176.501 176.000 0.122 0.000 0.969 275 Q CA -0.566 55.282 55.803 0.075 0.000 0.885 275 Q CB 0.942 29.729 28.738 0.082 0.000 1.241 275 Q HN 0.025 nan 8.270 nan 0.000 0.461 276 D N 1.531 121.986 120.400 0.093 0.000 2.149 276 D HA -0.188 4.468 4.640 0.026 0.000 0.198 276 D C 1.266 177.638 176.300 0.120 0.000 0.990 276 D CA 1.605 55.661 54.000 0.094 0.000 0.839 276 D CB -0.124 40.714 40.800 0.064 0.000 0.948 276 D HN 0.653 nan 8.370 nan 0.000 0.460 277 D N -0.169 120.306 120.400 0.125 0.000 2.264 277 D HA -0.182 4.474 4.640 0.026 0.000 0.208 277 D C 1.930 178.341 176.300 0.184 0.000 0.966 277 D CA 0.297 54.374 54.000 0.128 0.000 0.864 277 D CB -0.984 39.877 40.800 0.102 0.000 0.933 277 D HN 0.273 nan 8.370 nan 0.000 0.499 278 F N 1.129 121.140 119.950 0.101 0.000 2.186 278 F HA -0.008 4.534 4.527 0.025 0.000 0.299 278 F C 1.984 177.895 175.800 0.185 0.000 1.090 278 F CA 1.071 59.171 58.000 0.166 0.000 1.307 278 F CB 0.086 39.156 39.000 0.118 0.000 1.019 278 F HN -0.239 nan 8.300 nan 0.000 0.489 279 K N 0.587 121.117 120.400 0.218 0.000 2.057 279 K HA -0.087 4.249 4.320 0.026 0.000 0.207 279 K C 2.259 178.857 176.600 -0.002 0.000 1.049 279 K CA 1.376 57.722 56.287 0.099 0.000 0.931 279 K CB -0.874 31.693 32.500 0.112 0.000 0.714 279 K HN 0.320 nan 8.250 nan 0.000 0.440 280 A N -0.040 122.799 122.820 0.031 0.000 1.898 280 A HA -0.191 4.144 4.320 0.026 0.000 0.216 280 A C 2.134 179.709 177.584 -0.015 0.000 1.181 280 A CA 1.503 53.550 52.037 0.017 0.000 0.620 280 A CB -0.890 18.139 19.000 0.049 0.000 0.819 280 A HN 0.439 nan 8.150 nan 0.000 0.442 281 Y N 0.952 121.167 120.300 -0.142 0.000 2.081 281 Y HA -0.196 4.373 4.550 0.031 0.000 0.280 281 Y C 2.568 178.319 175.900 -0.250 0.000 1.163 281 Y CA 1.592 59.572 58.100 -0.201 0.000 1.135 281 Y CB -0.817 37.468 38.460 -0.292 0.000 0.970 281 Y HN 0.282 nan 8.280 nan 0.000 0.498 282 A N 0.462 122.861 122.820 -0.701 0.000 1.933 282 A HA -0.215 4.121 4.320 0.026 0.000 0.218 282 A C 2.363 179.734 177.584 -0.357 0.000 1.175 282 A CA 1.905 53.536 52.037 -0.676 0.000 0.628 282 A CB -0.826 17.913 19.000 -0.435 0.000 0.814 282 A HN 0.578 nan 8.150 nan 0.000 0.444 283 K N -0.435 119.837 120.400 -0.213 0.000 2.097 283 K HA -0.120 4.215 4.320 0.026 0.000 0.205 283 K C 2.256 178.786 176.600 -0.116 0.000 1.050 283 K CA 1.191 57.410 56.287 -0.113 0.000 0.938 283 K CB -0.161 32.307 32.500 -0.054 0.000 0.718 283 K HN 0.441 nan 8.250 nan 0.000 0.442 284 R N 0.183 120.597 120.500 -0.143 0.000 2.096 284 R HA -0.089 4.267 4.340 0.026 0.000 0.235 284 R C 2.268 178.491 176.300 -0.128 0.000 1.127 284 R CA 1.222 57.265 56.100 -0.096 0.000 0.968 284 R CB -0.330 29.945 30.300 -0.041 0.000 0.861 284 R HN 0.060 nan 8.270 nan 0.000 0.440 285 V N 0.640 120.387 119.914 -0.278 0.000 2.255 285 V HA -0.250 3.885 4.120 0.026 0.000 0.247 285 V C 2.379 178.421 176.094 -0.087 0.000 1.051 285 V CA 1.850 64.014 62.300 -0.226 0.000 1.018 285 V CB -0.403 31.188 31.823 -0.386 0.000 0.641 285 V HN 0.119 nan 8.190 nan 0.000 0.445 286 V N 0.008 119.873 119.914 -0.082 0.000 2.307 286 V HA -0.221 3.915 4.120 0.026 0.000 0.245 286 V C 2.285 178.371 176.094 -0.014 0.000 1.045 286 V CA 2.074 64.362 62.300 -0.020 0.000 1.024 286 V CB -0.765 31.055 31.823 -0.005 0.000 0.651 286 V HN 0.528 nan 8.190 nan 0.000 0.449 287 D N 0.470 120.856 120.400 -0.024 0.000 2.104 287 D HA -0.162 4.494 4.640 0.026 0.000 0.194 287 D C 2.071 178.372 176.300 0.002 0.000 0.994 287 D CA 1.335 55.330 54.000 -0.009 0.000 0.830 287 D CB -0.429 40.365 40.800 -0.010 0.000 0.959 287 D HN 0.352 nan 8.370 nan 0.000 0.452 288 N N 0.444 119.146 118.700 0.003 0.000 2.120 288 N HA -0.082 4.674 4.740 0.026 0.000 0.188 288 N C 1.708 177.231 175.510 0.022 0.000 1.024 288 N CA 1.277 54.342 53.050 0.025 0.000 0.852 288 N CB -0.423 38.090 38.487 0.043 0.000 1.003 288 N HN 0.140 nan 8.380 nan 0.000 0.424 289 A N 1.335 124.161 122.820 0.010 0.000 1.902 289 A HA -0.143 4.193 4.320 0.026 0.000 0.217 289 A C 2.127 179.710 177.584 -0.002 0.000 1.181 289 A CA 1.426 53.464 52.037 0.002 0.000 0.623 289 A CB -0.359 18.638 19.000 -0.004 0.000 0.818 289 A HN 0.259 nan 8.150 nan 0.000 0.443 290 K N -1.040 119.361 120.400 0.001 0.000 2.057 290 K HA -0.147 4.189 4.320 0.026 0.000 0.206 290 K C 2.344 178.949 176.600 0.008 0.000 1.050 290 K CA 1.471 57.759 56.287 0.002 0.000 0.935 290 K CB -0.138 32.364 32.500 0.002 0.000 0.715 290 K HN 0.316 nan 8.250 nan 0.000 0.439 291 R N 1.440 121.948 120.500 0.013 0.000 2.081 291 R HA -0.106 4.250 4.340 0.026 0.000 0.235 291 R C 2.064 178.379 176.300 0.024 0.000 1.131 291 R CA 1.099 57.210 56.100 0.019 0.000 0.960 291 R CB -0.717 29.596 30.300 0.022 0.000 0.856 291 R HN 0.112 nan 8.270 nan 0.000 0.436 292 L N 0.266 121.504 121.223 0.025 0.000 2.046 292 L HA 0.046 4.402 4.340 0.026 0.000 0.208 292 L C 2.090 178.972 176.870 0.021 0.000 1.077 292 L CA 2.168 57.023 54.840 0.026 0.000 0.747 292 L CB -1.084 40.989 42.059 0.022 0.000 0.896 292 L HN 0.279 nan 8.230 nan 0.000 0.432 293 A N -1.372 121.455 122.820 0.011 0.000 1.865 293 A HA -0.232 4.104 4.320 0.026 0.000 0.217 293 A C 2.400 180.004 177.584 0.032 0.000 1.191 293 A CA 2.270 54.314 52.037 0.012 0.000 0.623 293 A CB -1.129 17.870 19.000 -0.001 0.000 0.826 293 A HN 0.521 nan 8.150 nan 0.000 0.444 294 S N -0.255 115.461 115.700 0.028 0.000 2.368 294 S HA -0.042 4.444 4.470 0.026 0.000 0.225 294 S C 2.279 176.905 174.600 0.044 0.000 1.030 294 S CA 1.232 59.451 58.200 0.032 0.000 0.999 294 S CB -0.481 62.733 63.200 0.022 0.000 0.844 294 S HN 0.811 nan 8.310 nan 0.000 0.459 295 A N 1.241 124.089 122.820 0.047 0.000 1.930 295 A HA 0.044 4.379 4.320 0.026 0.000 0.217 295 A C 2.102 179.745 177.584 0.098 0.000 1.175 295 A CA 0.995 53.068 52.037 0.058 0.000 0.627 295 A CB -0.649 18.381 19.000 0.050 0.000 0.815 295 A HN 0.443 nan 8.150 nan 0.000 0.443 296 L N -0.880 120.412 121.223 0.115 0.000 2.046 296 L HA -0.261 4.095 4.340 0.026 0.000 0.208 296 L C 2.885 179.916 176.870 0.268 0.000 1.077 296 L CA 1.601 56.576 54.840 0.224 0.000 0.747 296 L CB -0.511 41.617 42.059 0.116 0.000 0.896 296 L HN 0.481 nan 8.230 nan 0.000 0.432 297 Q N -0.531 119.358 119.800 0.148 0.000 2.124 297 Q HA -0.226 4.130 4.340 0.026 0.000 0.202 297 Q C 2.027 178.063 176.000 0.059 0.000 0.977 297 Q CA 1.531 57.396 55.803 0.104 0.000 0.850 297 Q CB -0.295 28.483 28.738 0.066 0.000 0.901 297 Q HN 0.501 nan 8.270 nan 0.000 0.429 298 N N 0.473 119.205 118.700 0.055 0.000 2.205 298 N HA -0.185 4.571 4.740 0.026 0.000 0.186 298 N C 1.091 176.606 175.510 0.007 0.000 1.015 298 N CA 0.819 53.886 53.050 0.027 0.000 0.862 298 N CB 0.233 38.738 38.487 0.030 0.000 0.986 298 N HN 0.213 nan 8.380 nan 0.000 0.429 299 E N -0.337 119.882 120.200 0.031 0.000 2.482 299 E HA 0.012 4.378 4.350 0.026 0.000 0.196 299 E C 1.067 177.516 176.600 -0.252 0.000 1.047 299 E CA 0.633 57.007 56.400 -0.045 0.000 0.869 299 E CB 0.052 29.810 29.700 0.098 0.000 0.836 299 E HN 0.592 nan 8.360 nan 0.000 0.520 300 G N 0.879 109.568 108.800 -0.184 0.000 2.148 300 G HA2 -0.228 3.747 3.960 0.026 0.000 0.203 300 G HA3 -0.228 3.747 3.960 0.026 0.000 0.203 300 G C -0.066 174.675 174.900 -0.265 0.000 0.993 300 G CA -0.362 44.599 45.100 -0.232 0.000 0.661 300 G HN 0.120 nan 8.290 nan 0.000 0.518 301 F N 1.684 121.637 119.950 0.006 0.000 2.389 301 F HA 0.582 5.126 4.527 0.027 0.000 0.337 301 F C 1.172 176.976 175.800 0.007 0.000 1.112 301 F CA 0.022 58.025 58.000 0.005 0.000 1.192 301 F CB 1.301 40.303 39.000 0.003 0.000 1.185 301 F HN -0.077 nan 8.300 nan 0.000 0.552 302 T N 4.637 119.322 114.554 0.219 0.000 2.799 302 T HA 0.556 4.921 4.350 0.026 0.000 0.286 302 T C -0.187 174.579 174.700 0.109 0.000 0.973 302 T CA -0.516 61.663 62.100 0.130 0.000 1.035 302 T CB 0.370 69.297 68.868 0.100 0.000 0.932 302 T HN 0.268 nan 8.240 nan 0.000 0.469 303 L N 2.911 124.183 121.223 0.081 0.000 2.325 303 L HA 0.513 4.869 4.340 0.026 0.000 0.278 303 L C 0.134 177.034 176.870 0.050 0.000 1.023 303 L CA -1.346 53.520 54.840 0.042 0.000 0.811 303 L CB 1.525 43.601 42.059 0.029 0.000 1.249 303 L HN 0.314 nan 8.230 nan 0.000 0.431 304 V N 2.692 122.600 119.914 -0.010 0.000 2.599 304 V HA -0.064 4.072 4.120 0.026 0.000 0.300 304 V C 1.156 177.310 176.094 0.101 0.000 1.034 304 V CA 1.252 63.527 62.300 -0.041 0.000 1.115 304 V CB 0.866 32.577 31.823 -0.187 0.000 0.934 304 V HN 1.171 nan 8.190 nan 0.000 0.485 305 S N 2.544 118.471 115.700 0.377 0.000 2.981 305 S HA -0.221 4.265 4.470 0.026 0.000 0.274 305 S C 1.339 175.994 174.600 0.091 0.000 1.297 305 S CA 1.203 59.525 58.200 0.204 0.000 1.266 305 S CB -1.952 61.292 63.200 0.072 0.000 1.542 305 S HN 2.838 nan 8.310 nan 0.000 0.674 306 G N -0.324 108.533 108.800 0.095 0.000 2.143 306 G HA2 0.319 4.295 3.960 0.026 0.000 0.248 306 G HA3 0.319 4.295 3.960 0.026 0.000 0.248 306 G C 0.999 175.914 174.900 0.025 0.000 0.991 306 G CA 0.627 45.758 45.100 0.052 0.000 0.689 306 G HN 2.647 nan 8.290 nan 0.000 0.522 307 G N -2.678 106.128 108.800 0.010 0.000 2.403 307 G HA2 0.649 4.624 3.960 0.026 0.000 0.223 307 G HA3 0.649 4.624 3.960 0.026 0.000 0.223 307 G C -0.559 174.318 174.900 -0.039 0.000 1.287 307 G CA 0.873 45.968 45.100 -0.009 0.000 0.982 307 G HN 1.869 nan 8.290 nan 0.000 0.471 308 T N -0.962 113.567 114.554 -0.042 0.000 2.932 308 T HA 0.562 4.927 4.350 0.026 0.000 0.318 308 T C -1.104 173.572 174.700 -0.041 0.000 1.265 308 T CA 0.091 62.153 62.100 -0.063 0.000 1.036 308 T CB 1.861 70.688 68.868 -0.068 0.000 1.209 308 T HN 0.308 nan 8.240 nan 0.000 0.484 309 D N 1.979 122.354 120.400 -0.042 0.000 2.407 309 D HA 0.186 4.842 4.640 0.026 0.000 0.208 309 D C 0.708 177.039 176.300 0.052 0.000 1.083 309 D CA 0.308 54.306 54.000 -0.003 0.000 0.844 309 D CB 0.510 41.304 40.800 -0.010 0.000 0.967 309 D HN 0.671 nan 8.370 nan 0.000 0.506 310 N N -0.767 117.965 118.700 0.054 0.000 3.567 310 N HA -0.021 4.734 4.740 0.026 0.000 0.347 310 N C 0.968 176.549 175.510 0.118 0.000 1.553 310 N CA -0.341 52.798 53.050 0.148 0.000 0.636 310 N CB -0.221 38.430 38.487 0.274 0.000 2.483 310 N HN -0.150 nan 8.380 nan 0.000 0.608 311 H N -0.932 118.153 119.070 0.026 0.000 2.551 311 H HA 0.325 4.897 4.556 0.027 0.000 0.266 311 H C -0.001 175.336 175.328 0.014 0.000 0.964 311 H CA -0.076 55.978 56.048 0.011 0.000 1.180 311 H CB -0.371 29.407 29.762 0.026 0.000 1.408 311 H HN 0.509 nan 8.280 nan 0.000 0.563 312 L N -0.079 120.842 121.223 -0.503 0.000 2.350 312 L HA 0.677 5.033 4.340 0.026 0.000 0.260 312 L C -1.130 175.600 176.870 -0.232 0.000 1.015 312 L CA -1.617 52.971 54.840 -0.419 0.000 0.821 312 L CB 2.248 43.939 42.059 -0.614 0.000 1.370 312 L HN 0.027 nan 8.230 nan 0.000 0.416 313 L N 0.086 121.210 121.223 -0.165 0.000 2.376 313 L HA 0.810 5.166 4.340 0.026 0.000 0.258 313 L C -1.483 175.319 176.870 -0.114 0.000 1.013 313 L CA -0.832 53.935 54.840 -0.123 0.000 0.822 313 L CB 2.043 44.050 42.059 -0.087 0.000 1.388 313 L HN 0.693 nan 8.230 nan 0.000 0.413 314 L N 1.898 123.061 121.223 -0.099 0.000 2.376 314 L HA 0.633 4.989 4.340 0.026 0.000 0.275 314 L C -0.938 175.882 176.870 -0.083 0.000 0.987 314 L CA -0.926 53.857 54.840 -0.095 0.000 0.828 314 L CB 2.187 44.187 42.059 -0.098 0.000 1.249 314 L HN 0.528 nan 8.230 nan 0.000 0.409 315 V N 2.317 122.174 119.914 -0.094 0.000 2.432 315 V HA 0.112 4.248 4.120 0.026 0.000 0.271 315 V C -0.037 176.029 176.094 -0.047 0.000 1.046 315 V CA -0.447 61.804 62.300 -0.082 0.000 0.945 315 V CB 1.389 33.104 31.823 -0.179 0.000 0.992 315 V HN 0.596 nan 8.190 nan 0.000 0.471 316 D N 4.649 125.044 120.400 -0.008 0.000 2.365 316 D HA 0.215 4.871 4.640 0.026 0.000 0.237 316 D C 0.604 176.937 176.300 0.055 0.000 1.190 316 D CA -0.072 53.930 54.000 0.004 0.000 0.867 316 D CB 1.151 41.953 40.800 0.002 0.000 1.050 316 D HN 0.452 nan 8.370 nan 0.000 0.491 317 L N 3.621 124.871 121.223 0.046 0.000 2.591 317 L HA 0.178 4.534 4.340 0.026 0.000 0.228 317 L C 2.328 179.243 176.870 0.074 0.000 1.133 317 L CA -0.120 54.770 54.840 0.083 0.000 0.880 317 L CB -0.004 42.090 42.059 0.059 0.000 1.033 317 L HN 0.275 nan 8.230 nan 0.000 0.450 318 R N 0.641 121.174 120.500 0.055 0.000 2.091 318 R HA -0.168 4.188 4.340 0.026 0.000 0.238 318 R C -0.394 175.934 176.300 0.046 0.000 1.136 318 R CA 1.516 57.644 56.100 0.046 0.000 0.959 318 R CB -1.482 28.843 30.300 0.041 0.000 0.856 318 R HN 0.309 nan 8.270 nan 0.000 0.437 319 P HA -0.138 nan 4.420 nan 0.000 0.219 319 P C 0.578 177.895 177.300 0.029 0.000 1.146 319 P CA 1.279 64.400 63.100 0.036 0.000 0.808 319 P CB 0.131 31.853 31.700 0.036 0.000 0.779 320 Q N -1.344 118.486 119.800 0.051 0.000 2.360 320 Q HA 0.090 4.446 4.340 0.026 0.000 0.202 320 Q C 0.259 176.286 176.000 0.044 0.000 0.915 320 Q CA 0.186 56.017 55.803 0.047 0.000 0.943 320 Q CB -0.435 28.362 28.738 0.098 0.000 1.064 320 Q HN 0.050 nan 8.270 nan 0.000 0.511 321 Q N -0.484 119.340 119.800 0.041 0.000 2.453 321 Q HA -0.211 4.145 4.340 0.026 0.000 0.294 321 Q C -0.950 175.073 176.000 0.039 0.000 1.295 321 Q CA 0.841 56.665 55.803 0.035 0.000 0.853 321 Q CB -2.159 26.594 28.738 0.025 0.000 1.193 321 Q HN 0.405 nan 8.270 nan 0.000 0.461 322 L N -0.055 121.197 121.223 0.048 0.000 2.342 322 L HA 0.537 4.892 4.340 0.026 0.000 0.271 322 L C 1.039 177.932 176.870 0.038 0.000 1.008 322 L CA -0.650 54.218 54.840 0.046 0.000 0.818 322 L CB 1.840 43.936 42.059 0.061 0.000 1.296 322 L HN 0.137 nan 8.230 nan 0.000 0.427 323 T N -1.787 112.786 114.554 0.031 0.000 2.899 323 T HA 0.265 4.631 4.350 0.026 0.000 0.284 323 T C 1.228 175.938 174.700 0.018 0.000 1.004 323 T CA -0.104 62.011 62.100 0.025 0.000 1.043 323 T CB 1.629 70.513 68.868 0.027 0.000 1.013 323 T HN 0.698 nan 8.240 nan 0.000 0.518 324 G N 0.286 109.091 108.800 0.008 0.000 2.422 324 G HA2 -0.205 3.771 3.960 0.026 0.000 0.218 324 G HA3 -0.205 3.771 3.960 0.026 0.000 0.218 324 G C 1.373 176.274 174.900 0.002 0.000 1.146 324 G CA 0.891 45.989 45.100 -0.004 0.000 0.769 324 G HN 0.849 nan 8.290 nan 0.000 0.547 325 K N -0.216 120.193 120.400 0.014 0.000 2.032 325 K HA -0.113 4.223 4.320 0.026 0.000 0.209 325 K C 2.587 179.199 176.600 0.020 0.000 1.048 325 K CA 1.787 58.087 56.287 0.021 0.000 0.927 325 K CB -0.325 32.196 32.500 0.035 0.000 0.712 325 K HN 0.269 nan 8.250 nan 0.000 0.441 326 T N 0.662 115.229 114.554 0.021 0.000 2.708 326 T HA -0.121 4.244 4.350 0.026 0.000 0.266 326 T C 1.837 176.549 174.700 0.020 0.000 1.037 326 T CA 1.347 63.460 62.100 0.022 0.000 1.146 326 T CB -0.308 68.576 68.868 0.026 0.000 0.865 326 T HN 0.428 nan 8.240 nan 0.000 0.435 327 A N 1.391 124.220 122.820 0.016 0.000 1.877 327 A HA -0.157 4.179 4.320 0.026 0.000 0.216 327 A C 2.218 179.801 177.584 -0.001 0.000 1.186 327 A CA 2.006 54.047 52.037 0.008 0.000 0.620 327 A CB -0.711 18.285 19.000 -0.007 0.000 0.822 327 A HN 0.633 nan 8.150 nan 0.000 0.443 328 E N -0.090 120.108 120.200 -0.003 0.000 2.085 328 E HA -0.279 4.087 4.350 0.026 0.000 0.194 328 E C 2.104 178.707 176.600 0.006 0.000 0.994 328 E CA 1.690 58.089 56.400 -0.003 0.000 0.801 328 E CB -0.165 29.534 29.700 -0.002 0.000 0.743 328 E HN 0.629 nan 8.360 nan 0.000 0.453 329 K N 0.267 120.673 120.400 0.011 0.000 2.026 329 K HA -0.123 4.213 4.320 0.026 0.000 0.208 329 K C 2.169 178.778 176.600 0.015 0.000 1.048 329 K CA 1.365 57.661 56.287 0.015 0.000 0.929 329 K CB -0.197 32.313 32.500 0.017 0.000 0.713 329 K HN 0.147 nan 8.250 nan 0.000 0.439 330 V N 1.432 121.356 119.914 0.017 0.000 2.548 330 V HA -0.152 3.984 4.120 0.026 0.000 0.249 330 V C 2.076 178.181 176.094 0.018 0.000 1.055 330 V CA 1.251 63.562 62.300 0.020 0.000 1.065 330 V CB -0.152 31.686 31.823 0.025 0.000 0.681 330 V HN 0.327 nan 8.190 nan 0.000 0.462 331 L N 0.117 121.348 121.223 0.013 0.000 2.093 331 L HA -0.170 4.186 4.340 0.026 0.000 0.208 331 L C 2.345 179.223 176.870 0.013 0.000 1.085 331 L CA 2.187 57.033 54.840 0.011 0.000 0.755 331 L CB -0.676 41.382 42.059 -0.002 0.000 0.904 331 L HN 0.454 nan 8.230 nan 0.000 0.435 332 D N 0.210 120.617 120.400 0.012 0.000 2.149 332 D HA -0.238 4.417 4.640 0.026 0.000 0.198 332 D C 1.974 178.284 176.300 0.017 0.000 0.990 332 D CA 1.274 55.283 54.000 0.014 0.000 0.839 332 D CB 0.121 40.930 40.800 0.014 0.000 0.948 332 D HN 0.317 nan 8.370 nan 0.000 0.460 333 E N -0.569 119.641 120.200 0.017 0.000 2.204 333 E HA -0.122 4.243 4.350 0.026 0.000 0.195 333 E C 1.997 178.608 176.600 0.019 0.000 0.990 333 E CA 1.162 57.572 56.400 0.017 0.000 0.821 333 E CB 0.160 29.871 29.700 0.018 0.000 0.750 333 E HN 0.463 nan 8.360 nan 0.000 0.477 334 V N -3.684 116.243 119.914 0.021 0.000 3.578 334 V HA 0.450 4.585 4.120 0.026 0.000 0.290 334 V C 1.082 177.190 176.094 0.025 0.000 1.376 334 V CA 0.446 62.760 62.300 0.023 0.000 1.083 334 V CB 0.316 32.154 31.823 0.026 0.000 0.911 334 V HN 0.226 nan 8.190 nan 0.000 0.433 335 G N 0.970 109.784 108.800 0.023 0.000 2.131 335 G HA2 -0.186 3.789 3.960 0.026 0.000 0.223 335 G HA3 -0.186 3.789 3.960 0.026 0.000 0.223 335 G C -0.211 174.705 174.900 0.028 0.000 0.990 335 G CA 0.174 45.289 45.100 0.025 0.000 0.671 335 G HN 0.602 nan 8.290 nan 0.000 0.521 336 I N 1.910 122.495 120.570 0.025 0.000 2.339 336 I HA 0.349 4.535 4.170 0.026 0.000 0.290 336 I C 0.150 176.275 176.117 0.014 0.000 0.994 336 I CA -0.558 60.755 61.300 0.023 0.000 1.191 336 I CB 1.750 39.762 38.000 0.021 0.000 1.343 336 I HN 0.022 nan 8.210 nan 0.000 0.458 337 T N 6.577 121.139 114.554 0.014 0.000 2.738 337 T HA 0.470 4.836 4.350 0.026 0.000 0.298 337 T C 0.052 174.751 174.700 -0.001 0.000 0.962 337 T CA -0.527 61.579 62.100 0.009 0.000 0.972 337 T CB 0.812 69.688 68.868 0.015 0.000 0.928 337 T HN 0.444 nan 8.240 nan 0.000 0.474 338 V N 1.134 121.043 119.914 -0.007 0.000 3.164 338 V HA 0.792 4.928 4.120 0.026 0.000 0.313 338 V C -0.984 175.103 176.094 -0.012 0.000 1.188 338 V CA -1.398 60.892 62.300 -0.017 0.000 1.058 338 V CB 2.402 34.204 31.823 -0.035 0.000 1.110 338 V HN 0.868 nan 8.190 nan 0.000 0.453 339 N N 0.068 118.757 118.700 -0.017 0.000 2.238 339 N HA 0.357 5.113 4.740 0.026 0.000 0.302 339 N C -0.838 174.655 175.510 -0.027 0.000 1.072 339 N CA -0.823 52.218 53.050 -0.016 0.000 0.792 339 N CB 2.669 41.152 38.487 -0.007 0.000 1.425 339 N HN 0.989 nan 8.380 nan 0.000 0.478 340 K N 1.188 121.573 120.400 -0.025 0.000 2.469 340 K HA 0.066 4.401 4.320 0.026 0.000 0.274 340 K C -0.928 175.645 176.600 -0.045 0.000 0.983 340 K CA -0.006 56.263 56.287 -0.031 0.000 0.974 340 K CB 0.305 32.794 32.500 -0.019 0.000 0.913 340 K HN 0.724 nan 8.250 nan 0.000 0.493 341 N N 0.390 119.059 118.700 -0.052 0.000 2.452 341 N HA 0.049 4.805 4.740 0.026 0.000 0.277 341 N C -1.722 173.749 175.510 -0.065 0.000 1.078 341 N CA -0.455 52.557 53.050 -0.063 0.000 0.947 341 N CB 2.208 40.658 38.487 -0.061 0.000 1.655 341 N HN 0.745 nan 8.380 nan 0.000 0.490 342 T N 2.545 117.055 114.554 -0.073 0.000 2.940 342 T HA 0.307 4.673 4.350 0.026 0.000 0.309 342 T C 0.404 175.061 174.700 -0.072 0.000 1.056 342 T CA -0.199 61.862 62.100 -0.066 0.000 1.137 342 T CB -0.125 68.701 68.868 -0.069 0.000 0.976 342 T HN 0.386 nan 8.240 nan 0.000 0.547 343 I N 2.520 123.044 120.570 -0.078 0.000 2.793 343 I HA 0.665 4.851 4.170 0.026 0.000 0.313 343 I C -2.672 173.354 176.117 -0.152 0.000 0.998 343 I CA -3.466 57.760 61.300 -0.123 0.000 1.140 343 I CB 1.349 39.271 38.000 -0.129 0.000 1.327 343 I HN 0.358 nan 8.210 nan 0.000 0.491 344 P HA 0.064 nan 4.420 nan 0.000 0.265 344 P C -1.277 175.917 177.300 -0.176 0.000 1.193 344 P CA 0.633 63.454 63.100 -0.465 0.000 0.765 344 P CB -0.175 31.265 31.700 -0.434 0.000 0.823 345 Y N -0.716 119.514 120.300 -0.116 0.000 3.929 345 Y HA -0.261 4.305 4.550 0.027 0.000 0.225 345 Y C 0.782 176.688 175.900 0.009 0.000 1.200 345 Y CA 0.302 58.410 58.100 0.013 0.000 1.791 345 Y CB -2.409 36.061 38.460 0.017 0.000 1.561 345 Y HN 0.391 nan 8.280 nan 0.000 0.657 346 D N 2.130 122.562 120.400 0.054 0.000 2.450 346 D HA 0.029 4.685 4.640 0.026 0.000 0.247 346 D C -0.795 175.540 176.300 0.058 0.000 1.162 346 D CA -0.973 53.051 54.000 0.039 0.000 0.879 346 D CB 1.104 41.904 40.800 -0.000 0.000 1.163 346 D HN 0.168 nan 8.370 nan 0.000 0.472 347 P HA 0.004 nan 4.420 nan 0.000 0.233 347 P C -0.028 177.299 177.300 0.045 0.000 1.167 347 P CA 0.518 63.651 63.100 0.056 0.000 0.770 347 P CB 0.615 32.346 31.700 0.051 0.000 0.837 348 E N 0.435 120.659 120.200 0.039 0.000 2.232 348 E HA 0.253 4.618 4.350 0.026 0.000 0.265 348 E C 0.399 177.026 176.600 0.045 0.000 1.001 348 E CA -0.497 55.928 56.400 0.041 0.000 0.870 348 E CB 1.216 30.938 29.700 0.036 0.000 1.175 348 E HN 0.050 nan 8.360 nan 0.000 0.407 349 S N 0.942 116.684 115.700 0.070 0.000 2.584 349 S HA 0.088 4.574 4.470 0.026 0.000 0.270 349 S C -1.605 173.029 174.600 0.056 0.000 1.346 349 S CA -0.921 57.342 58.200 0.105 0.000 1.018 349 S CB 0.651 63.974 63.200 0.205 0.000 0.899 349 S HN 0.273 nan 8.310 nan 0.000 0.542 350 P HA -0.031 nan 4.420 nan 0.000 0.228 350 P C 0.573 177.691 177.300 -0.304 0.000 1.151 350 P CA 1.012 63.985 63.100 -0.212 0.000 0.770 350 P CB -0.220 31.262 31.700 -0.363 0.000 0.786 351 F N -1.520 118.420 119.950 -0.017 0.000 2.776 351 F HA 0.033 4.576 4.527 0.026 0.000 0.300 351 F C 2.126 177.921 175.800 -0.009 0.000 1.116 351 F CA 0.379 58.371 58.000 -0.013 0.000 1.375 351 F CB -0.199 38.794 39.000 -0.012 0.000 1.109 351 F HN -0.256 nan 8.300 nan 0.000 0.585 352 V N -1.944 118.051 119.914 0.136 0.000 2.950 352 V HA 0.150 4.286 4.120 0.026 0.000 0.231 352 V C 0.610 176.725 176.094 0.035 0.000 1.205 352 V CA 0.868 63.216 62.300 0.081 0.000 1.239 352 V CB -0.010 31.860 31.823 0.077 0.000 1.050 352 V HN 0.368 nan 8.190 nan 0.000 0.498 353 T N -0.638 113.930 114.554 0.022 0.000 0.541 353 T HA -0.227 4.139 4.350 0.026 0.000 0.774 353 T C 0.168 174.871 174.700 0.004 0.000 0.992 353 T CA 0.422 62.521 62.100 -0.002 0.000 4.077 353 T CB -1.430 67.422 68.868 -0.026 0.000 2.303 353 T HN 0.373 nan 8.240 nan 0.000 0.398 354 S N 1.062 116.759 115.700 -0.004 0.000 2.593 354 S HA 0.585 5.070 4.470 0.026 0.000 0.236 354 S C 0.749 175.342 174.600 -0.011 0.000 0.991 354 S CA -0.049 58.152 58.200 0.002 0.000 0.963 354 S CB 0.668 63.873 63.200 0.008 0.000 0.865 354 S HN 1.240 nan 8.310 nan 0.000 0.488 355 G N 1.572 110.357 108.800 -0.026 0.000 2.672 355 G HA2 0.723 4.699 3.960 0.026 0.000 0.292 355 G HA3 0.723 4.699 3.960 0.026 0.000 0.292 355 G C -1.251 173.619 174.900 -0.050 0.000 1.375 355 G CA -0.902 44.172 45.100 -0.043 0.000 0.890 355 G HN 0.310 nan 8.290 nan 0.000 0.476 356 I N -1.839 118.691 120.570 -0.068 0.000 2.545 356 I HA 0.740 4.926 4.170 0.026 0.000 0.292 356 I C -0.343 175.726 176.117 -0.081 0.000 1.040 356 I CA -1.197 60.060 61.300 -0.072 0.000 1.068 356 I CB 2.461 40.411 38.000 -0.083 0.000 1.251 356 I HN 0.441 nan 8.210 nan 0.000 0.424 357 R N 5.816 126.275 120.500 -0.068 0.000 2.368 357 R HA 0.762 5.118 4.340 0.026 0.000 0.302 357 R C -1.512 174.750 176.300 -0.063 0.000 1.002 357 R CA -0.533 55.525 56.100 -0.071 0.000 0.929 357 R CB 1.271 31.535 30.300 -0.060 0.000 1.073 357 R HN 0.815 nan 8.270 nan 0.000 0.464 358 I N 2.591 123.116 120.570 -0.075 0.000 2.582 358 I HA 0.442 4.628 4.170 0.026 0.000 0.292 358 I C -0.032 176.047 176.117 -0.063 0.000 1.066 358 I CA -0.762 60.502 61.300 -0.060 0.000 1.053 358 I CB 2.464 40.422 38.000 -0.071 0.000 1.241 358 I HN 0.770 nan 8.210 nan 0.000 0.421 359 G N 1.398 110.184 108.800 -0.024 0.000 2.574 359 G HA2 0.508 4.484 3.960 0.026 0.000 0.299 359 G HA3 0.508 4.484 3.960 0.026 0.000 0.299 359 G C 0.135 175.053 174.900 0.030 0.000 1.298 359 G CA -0.283 44.818 45.100 0.001 0.000 0.952 359 G HN 0.589 nan 8.290 nan 0.000 0.477 360 T N -2.113 112.473 114.554 0.053 0.000 3.054 360 T HA 0.366 4.732 4.350 0.026 0.000 0.255 360 T C 2.155 176.889 174.700 0.056 0.000 1.035 360 T CA 1.194 63.322 62.100 0.046 0.000 0.941 360 T CB 0.631 69.522 68.868 0.040 0.000 1.026 360 T HN 0.721 nan 8.240 nan 0.000 0.533 361 A N 1.975 124.845 122.820 0.084 0.000 1.883 361 A HA 0.216 4.552 4.320 0.026 0.000 0.217 361 A C 2.710 180.375 177.584 0.135 0.000 1.186 361 A CA 1.927 54.029 52.037 0.108 0.000 0.624 361 A CB -1.374 17.690 19.000 0.107 0.000 0.822 361 A HN 0.741 nan 8.150 nan 0.000 0.444 362 A N -0.214 122.610 122.820 0.008 0.000 1.872 362 A HA 0.035 4.371 4.320 0.026 0.000 0.214 362 A C 2.330 179.971 177.584 0.096 0.000 1.187 362 A CA 2.190 54.179 52.037 -0.080 0.000 0.614 362 A CB -1.290 17.501 19.000 -0.348 0.000 0.826 362 A HN 1.145 nan 8.150 nan 0.000 0.442 363 V N -2.388 117.507 119.914 -0.031 0.000 2.490 363 V HA -0.169 3.967 4.120 0.026 0.000 0.250 363 V C 2.143 178.192 176.094 -0.075 0.000 1.061 363 V CA 2.625 64.763 62.300 -0.270 0.000 1.064 363 V CB -1.880 29.710 31.823 -0.389 0.000 0.670 363 V HN 0.422 nan 8.190 nan 0.000 0.461 364 T N 0.503 115.122 114.554 0.108 0.000 2.777 364 T HA -0.145 4.221 4.350 0.026 0.000 0.266 364 T C 1.954 176.841 174.700 0.312 0.000 1.040 364 T CA 2.165 64.396 62.100 0.218 0.000 1.141 364 T CB -0.624 68.337 68.868 0.156 0.000 0.868 364 T HN 0.637 nan 8.240 nan 0.000 0.444 365 T N 2.427 117.184 114.554 0.337 0.000 2.759 365 T HA -0.145 4.221 4.350 0.026 0.000 0.269 365 T C 1.919 176.697 174.700 0.129 0.000 1.042 365 T CA 1.296 63.498 62.100 0.170 0.000 1.140 365 T CB -0.239 68.718 68.868 0.149 0.000 0.864 365 T HN 0.585 nan 8.240 nan 0.000 0.455 366 R N 1.018 121.589 120.500 0.117 0.000 2.313 366 R HA 0.290 4.646 4.340 0.026 0.000 0.199 366 R C 1.463 177.853 176.300 0.150 0.000 0.958 366 R CA 0.761 56.886 56.100 0.040 0.000 1.047 366 R CB -0.138 30.093 30.300 -0.116 0.000 0.955 366 R HN 0.362 nan 8.270 nan 0.000 0.481 367 G N 0.342 109.264 108.800 0.204 0.000 2.144 367 G HA2 -0.247 3.729 3.960 0.026 0.000 0.218 367 G HA3 -0.247 3.729 3.960 0.026 0.000 0.218 367 G C -0.040 175.069 174.900 0.348 0.000 0.988 367 G CA -0.403 44.841 45.100 0.240 0.000 0.659 367 G HN 0.312 nan 8.290 nan 0.000 0.522 368 F N 0.920 120.912 119.950 0.069 0.000 2.518 368 F HA 0.437 4.981 4.527 0.029 0.000 0.359 368 F C 1.504 177.332 175.800 0.047 0.000 1.118 368 F CA 0.315 58.346 58.000 0.052 0.000 1.287 368 F CB 0.998 40.031 39.000 0.054 0.000 1.132 368 F HN 0.224 nan 8.300 nan 0.000 0.587 369 G N 2.024 110.911 108.800 0.145 0.000 3.262 369 G HA2 0.400 4.376 3.960 0.026 0.000 0.229 369 G HA3 0.400 4.376 3.960 0.026 0.000 0.229 369 G C 0.515 175.447 174.900 0.054 0.000 1.280 369 G CA -0.802 44.349 45.100 0.086 0.000 0.951 369 G HN 0.569 nan 8.290 nan 0.000 0.589 370 L N -0.033 121.208 121.223 0.031 0.000 2.046 370 L HA -0.062 4.294 4.340 0.026 0.000 0.208 370 L C 2.795 179.669 176.870 0.006 0.000 1.077 370 L CA 1.124 55.976 54.840 0.021 0.000 0.747 370 L CB -0.317 41.751 42.059 0.015 0.000 0.896 370 L HN 0.385 nan 8.230 nan 0.000 0.432 371 E N 0.410 120.601 120.200 -0.014 0.000 2.110 371 E HA -0.216 4.150 4.350 0.026 0.000 0.193 371 E C 2.095 178.660 176.600 -0.058 0.000 0.988 371 E CA 1.213 57.592 56.400 -0.034 0.000 0.804 371 E CB -0.118 29.554 29.700 -0.047 0.000 0.745 371 E HN 0.498 nan 8.360 nan 0.000 0.458 372 E N -0.036 120.107 120.200 -0.094 0.000 2.152 372 E HA -0.068 4.298 4.350 0.026 0.000 0.192 372 E C 1.947 178.540 176.600 -0.011 0.000 0.983 372 E CA 0.626 56.929 56.400 -0.161 0.000 0.818 372 E CB -0.106 29.343 29.700 -0.419 0.000 0.758 372 E HN 0.122 nan 8.360 nan 0.000 0.467 373 M N 0.787 120.412 119.600 0.042 0.000 2.086 373 M HA -0.139 4.357 4.480 0.026 0.000 0.261 373 M C 1.336 177.662 176.300 0.042 0.000 1.067 373 M CA 1.400 56.739 55.300 0.066 0.000 1.116 373 M CB -0.923 31.713 32.600 0.060 0.000 1.348 373 M HN 0.037 nan 8.290 nan 0.000 0.407 374 D N 0.200 120.614 120.400 0.023 0.000 2.104 374 D HA -0.196 4.460 4.640 0.026 0.000 0.194 374 D C 2.005 178.319 176.300 0.023 0.000 0.994 374 D CA 1.495 55.508 54.000 0.022 0.000 0.830 374 D CB -0.222 40.584 40.800 0.009 0.000 0.959 374 D HN 0.395 nan 8.370 nan 0.000 0.452 375 E N 0.480 120.683 120.200 0.006 0.000 2.072 375 E HA -0.077 4.289 4.350 0.026 0.000 0.191 375 E C 2.151 178.769 176.600 0.029 0.000 0.985 375 E CA 0.619 57.022 56.400 0.004 0.000 0.801 375 E CB -0.353 29.328 29.700 -0.031 0.000 0.750 375 E HN 0.281 nan 8.360 nan 0.000 0.452 376 I N 0.598 121.196 120.570 0.046 0.000 2.163 376 I HA -0.317 3.869 4.170 0.026 0.000 0.243 376 I C 2.409 178.559 176.117 0.055 0.000 1.085 376 I CA 1.257 62.598 61.300 0.068 0.000 1.347 376 I CB -0.479 37.583 38.000 0.103 0.000 1.044 376 I HN 0.227 nan 8.210 nan 0.000 0.408 377 A N 0.652 123.506 122.820 0.057 0.000 1.902 377 A HA -0.182 4.154 4.320 0.026 0.000 0.217 377 A C 2.537 180.188 177.584 0.112 0.000 1.181 377 A CA 1.942 54.025 52.037 0.076 0.000 0.623 377 A CB -0.860 18.189 19.000 0.082 0.000 0.818 377 A HN 0.453 nan 8.150 nan 0.000 0.443 378 A N -0.130 122.739 122.820 0.082 0.000 1.902 378 A HA -0.068 4.268 4.320 0.026 0.000 0.217 378 A C 2.107 179.739 177.584 0.079 0.000 1.181 378 A CA 1.522 53.605 52.037 0.077 0.000 0.623 378 A CB -0.600 18.427 19.000 0.045 0.000 0.818 378 A HN 0.502 nan 8.150 nan 0.000 0.443 379 I N -0.316 120.293 120.570 0.065 0.000 2.226 379 I HA -0.251 3.935 4.170 0.026 0.000 0.245 379 I C 2.271 178.434 176.117 0.076 0.000 1.100 379 I CA 1.250 62.586 61.300 0.060 0.000 1.374 379 I CB -0.328 37.700 38.000 0.048 0.000 1.057 379 I HN 0.295 nan 8.210 nan 0.000 0.413 380 I N 0.724 121.340 120.570 0.078 0.000 2.208 380 I HA -0.238 3.948 4.170 0.026 0.000 0.245 380 I C 2.702 178.951 176.117 0.220 0.000 1.097 380 I CA 1.680 63.022 61.300 0.070 0.000 1.363 380 I CB -0.985 36.983 38.000 -0.053 0.000 1.051 380 I HN 0.288 nan 8.210 nan 0.000 0.413 381 G N 1.176 110.176 108.800 0.334 0.000 2.446 381 G HA2 -0.294 3.682 3.960 0.026 0.000 0.217 381 G HA3 -0.294 3.682 3.960 0.026 0.000 0.217 381 G C 1.653 176.653 174.900 0.166 0.000 1.168 381 G CA 0.888 46.194 45.100 0.343 0.000 0.771 381 G HN 0.281 nan 8.290 nan 0.000 0.551 382 L N 0.722 122.011 121.223 0.111 0.000 2.013 382 L HA -0.086 4.270 4.340 0.026 0.000 0.212 382 L C 2.917 179.830 176.870 0.073 0.000 1.073 382 L CA 1.700 56.582 54.840 0.070 0.000 0.753 382 L CB -0.584 41.507 42.059 0.053 0.000 0.890 382 L HN 0.103 nan 8.230 nan 0.000 0.432 383 V N -0.417 119.548 119.914 0.086 0.000 2.270 383 V HA -0.275 3.861 4.120 0.026 0.000 0.245 383 V C 2.471 178.618 176.094 0.089 0.000 1.043 383 V CA 2.042 64.385 62.300 0.073 0.000 1.014 383 V CB -0.536 31.322 31.823 0.059 0.000 0.645 383 V HN 0.441 nan 8.190 nan 0.000 0.447 384 L N -0.622 120.687 121.223 0.145 0.000 2.291 384 L HA -0.074 4.282 4.340 0.026 0.000 0.214 384 L C 2.229 179.178 176.870 0.132 0.000 1.120 384 L CA 1.198 56.140 54.840 0.170 0.000 0.799 384 L CB -0.472 41.764 42.059 0.296 0.000 0.925 384 L HN 0.301 nan 8.230 nan 0.000 0.446 385 K N 0.231 120.690 120.400 0.098 0.000 2.444 385 K HA 0.053 4.389 4.320 0.026 0.000 0.193 385 K C -0.047 176.570 176.600 0.028 0.000 1.024 385 K CA 0.309 56.617 56.287 0.034 0.000 1.077 385 K CB 0.189 32.684 32.500 -0.007 0.000 0.833 385 K HN 0.305 nan 8.250 nan 0.000 0.517 386 N N -0.144 118.580 118.700 0.040 0.000 2.628 386 N HA -0.028 4.728 4.740 0.026 0.000 0.299 386 N C 0.512 176.041 175.510 0.032 0.000 1.834 386 N CA -0.085 52.982 53.050 0.029 0.000 0.871 386 N CB 1.405 39.907 38.487 0.026 0.000 1.377 386 N HN -0.113 nan 8.380 nan 0.000 0.493 387 V N -2.661 117.274 119.914 0.035 0.000 2.720 387 V HA 0.057 4.193 4.120 0.026 0.000 0.256 387 V C 1.628 177.737 176.094 0.025 0.000 1.082 387 V CA 1.987 64.307 62.300 0.033 0.000 1.101 387 V CB -0.556 31.288 31.823 0.036 0.000 0.693 387 V HN 0.327 nan 8.190 nan 0.000 0.479 388 G N -0.271 108.542 108.800 0.022 0.000 3.189 388 G HA2 0.189 4.164 3.960 0.026 0.000 0.225 388 G HA3 0.189 4.164 3.960 0.026 0.000 0.225 388 G C 0.591 175.501 174.900 0.016 0.000 1.159 388 G CA 0.640 45.750 45.100 0.017 0.000 0.763 388 G HN 0.572 nan 8.290 nan 0.000 0.549 389 S N 0.398 116.108 115.700 0.017 0.000 2.461 389 S HA 0.321 4.806 4.470 0.026 0.000 0.322 389 S C 1.054 175.664 174.600 0.016 0.000 1.063 389 S CA -0.565 57.644 58.200 0.015 0.000 1.120 389 S CB 0.897 64.106 63.200 0.015 0.000 0.968 389 S HN 0.155 nan 8.310 nan 0.000 0.467 390 E N 3.513 123.721 120.200 0.014 0.000 2.153 390 E HA -0.196 4.169 4.350 0.026 0.000 0.194 390 E C 2.123 178.731 176.600 0.014 0.000 0.988 390 E CA 1.252 57.660 56.400 0.014 0.000 0.811 390 E CB -0.084 29.623 29.700 0.012 0.000 0.746 390 E HN 0.973 nan 8.360 nan 0.000 0.466 391 Q N 0.306 120.113 119.800 0.013 0.000 2.084 391 Q HA -0.050 4.306 4.340 0.026 0.000 0.202 391 Q C 2.140 178.149 176.000 0.014 0.000 0.978 391 Q CA 1.596 57.407 55.803 0.012 0.000 0.844 391 Q CB -0.392 28.352 28.738 0.010 0.000 0.898 391 Q HN 0.130 nan 8.270 nan 0.000 0.426 392 A N 1.871 124.701 122.820 0.016 0.000 1.902 392 A HA -0.088 4.248 4.320 0.026 0.000 0.217 392 A C 2.257 179.854 177.584 0.022 0.000 1.181 392 A CA 1.298 53.346 52.037 0.019 0.000 0.623 392 A CB -0.677 18.336 19.000 0.022 0.000 0.818 392 A HN 0.380 nan 8.150 nan 0.000 0.443 393 L N -0.994 120.242 121.223 0.022 0.000 2.093 393 L HA -0.154 4.202 4.340 0.026 0.000 0.208 393 L C 2.619 179.502 176.870 0.021 0.000 1.085 393 L CA 1.616 56.470 54.840 0.023 0.000 0.755 393 L CB -0.508 41.564 42.059 0.022 0.000 0.904 393 L HN 0.451 nan 8.230 nan 0.000 0.435 394 E N 0.850 121.061 120.200 0.018 0.000 2.106 394 E HA -0.264 4.102 4.350 0.026 0.000 0.192 394 E C 2.008 178.618 176.600 0.016 0.000 0.984 394 E CA 1.430 57.839 56.400 0.016 0.000 0.806 394 E CB -0.004 29.704 29.700 0.014 0.000 0.750 394 E HN 0.420 nan 8.360 nan 0.000 0.458 395 E N -0.379 119.831 120.200 0.017 0.000 2.051 395 E HA -0.223 4.142 4.350 0.026 0.000 0.192 395 E C 1.946 178.558 176.600 0.019 0.000 0.991 395 E CA 1.156 57.565 56.400 0.016 0.000 0.799 395 E CB -0.270 29.439 29.700 0.016 0.000 0.748 395 E HN 0.324 nan 8.360 nan 0.000 0.449 396 A N 1.493 124.327 122.820 0.023 0.000 1.883 396 A HA -0.236 4.099 4.320 0.026 0.000 0.217 396 A C 2.227 179.827 177.584 0.026 0.000 1.186 396 A CA 1.753 53.806 52.037 0.027 0.000 0.624 396 A CB -0.680 18.339 19.000 0.032 0.000 0.822 396 A HN 0.251 nan 8.150 nan 0.000 0.444 397 R N -0.603 119.912 120.500 0.023 0.000 2.096 397 R HA -0.229 4.127 4.340 0.026 0.000 0.240 397 R C 2.481 178.793 176.300 0.021 0.000 1.139 397 R CA 2.180 58.294 56.100 0.023 0.000 0.952 397 R CB -0.313 29.999 30.300 0.020 0.000 0.854 397 R HN 0.733 nan 8.270 nan 0.000 0.436 398 Q N -0.667 119.144 119.800 0.018 0.000 2.119 398 Q HA -0.146 4.210 4.340 0.026 0.000 0.201 398 Q C 2.196 178.204 176.000 0.015 0.000 0.972 398 Q CA 1.452 57.264 55.803 0.016 0.000 0.847 398 Q CB 0.014 28.760 28.738 0.013 0.000 0.903 398 Q HN 0.326 nan 8.270 nan 0.000 0.433 399 R N -0.235 120.274 120.500 0.016 0.000 2.115 399 R HA -0.075 4.280 4.340 0.026 0.000 0.230 399 R C 2.272 178.583 176.300 0.018 0.000 1.111 399 R CA 0.923 57.030 56.100 0.013 0.000 0.976 399 R CB -0.159 30.150 30.300 0.014 0.000 0.870 399 R HN 0.073 nan 8.270 nan 0.000 0.445 400 V N 0.940 120.872 119.914 0.029 0.000 2.307 400 V HA -0.233 3.902 4.120 0.026 0.000 0.245 400 V C 2.419 178.536 176.094 0.038 0.000 1.045 400 V CA 1.992 64.318 62.300 0.043 0.000 1.024 400 V CB -0.673 31.177 31.823 0.043 0.000 0.651 400 V HN 0.401 nan 8.190 nan 0.000 0.449 401 A N 0.074 122.910 122.820 0.026 0.000 1.908 401 A HA -0.170 4.166 4.320 0.026 0.000 0.218 401 A C 2.428 180.023 177.584 0.019 0.000 1.181 401 A CA 2.192 54.242 52.037 0.023 0.000 0.627 401 A CB -0.828 18.186 19.000 0.023 0.000 0.818 401 A HN 0.590 nan 8.150 nan 0.000 0.445 402 A N -0.475 122.352 122.820 0.011 0.000 1.940 402 A HA -0.063 4.273 4.320 0.026 0.000 0.219 402 A C 2.172 179.745 177.584 -0.018 0.000 1.176 402 A CA 1.556 53.592 52.037 -0.002 0.000 0.631 402 A CB -0.537 18.457 19.000 -0.010 0.000 0.814 402 A HN 0.488 nan 8.150 nan 0.000 0.446 403 L N -0.460 120.754 121.223 -0.016 0.000 2.109 403 L HA -0.113 4.242 4.340 0.026 0.000 0.207 403 L C 2.797 179.698 176.870 0.052 0.000 1.086 403 L CA 1.748 56.556 54.840 -0.053 0.000 0.760 403 L CB -0.436 41.612 42.059 -0.019 0.000 0.910 403 L HN 0.646 nan 8.230 nan 0.000 0.437 404 T N -5.152 109.445 114.554 0.072 0.000 3.065 404 T HA 0.144 4.510 4.350 0.026 0.000 0.252 404 T C 0.033 174.701 174.700 -0.053 0.000 1.099 404 T CA -0.214 61.882 62.100 -0.007 0.000 1.063 404 T CB 0.171 68.966 68.868 -0.122 0.000 0.948 404 T HN 0.226 nan 8.240 nan 0.000 0.506 405 D N 0.000 120.414 120.400 0.024 0.000 6.856 405 D HA 0.000 4.656 4.640 0.026 0.000 0.175 405 D CA 0.000 54.041 54.000 0.068 0.000 0.868 405 D CB 0.000 40.877 40.800 0.129 0.000 0.688 405 D HN 0.000 nan 8.370 nan 0.000 0.683