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 2vgv_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKYLPQQDPQ VFAAIEQERK RQHAKIELIA SENFVSRAVM EAQGSVLTNK DATA SEQUENCE YAQGYPGRRY 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 AALTDG 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 0.000 176.211 176.300 -0.148 0.000 1.140 1 M CA 0.000 55.296 55.300 -0.007 0.000 0.988 1 M CB 0.000 32.646 32.600 0.076 0.000 1.302 2 K N 0.557 120.830 120.400 -0.212 0.000 2.362 2 K HA 0.246 4.580 4.320 0.023 0.000 0.203 2 K C 0.676 176.973 176.600 -0.506 0.000 1.198 2 K CA 0.669 56.696 56.287 -0.434 0.000 0.908 2 K CB 0.475 32.589 32.500 -0.643 0.000 1.236 2 K HN 0.651 nan 8.250 nan 0.000 0.487 3 Y N 0.349 120.576 120.300 -0.120 0.000 2.476 3 Y HA 0.073 4.624 4.550 0.002 0.000 0.283 3 Y C 1.771 177.595 175.900 -0.127 0.000 1.109 3 Y CA 0.083 58.118 58.100 -0.109 0.000 1.246 3 Y CB 0.081 38.497 38.460 -0.072 0.000 1.068 3 Y HN 0.047 nan 8.280 nan 0.000 0.552 4 L N 1.366 122.582 121.223 -0.011 0.000 2.056 4 L HA 0.002 4.356 4.340 0.023 0.000 0.207 4 L C -0.943 175.805 176.870 -0.202 0.000 1.078 4 L CA 1.646 56.460 54.840 -0.044 0.000 0.749 4 L CB -1.429 40.657 42.059 0.045 0.000 0.901 4 L HN -0.037 nan 8.230 nan 0.000 0.433 5 P HA -0.198 nan 4.420 nan 0.000 0.218 5 P C 1.385 178.497 177.300 -0.312 0.000 1.148 5 P CA 1.337 63.942 63.100 -0.824 0.000 0.822 5 P CB 0.128 31.172 31.700 -1.094 0.000 0.784 6 Q N -0.898 118.775 119.800 -0.211 0.000 2.165 6 Q HA -0.123 4.231 4.340 0.023 0.000 0.197 6 Q C 2.321 178.294 176.000 -0.044 0.000 0.952 6 Q CA 1.176 56.917 55.803 -0.104 0.000 0.848 6 Q CB -0.640 28.048 28.738 -0.084 0.000 0.931 6 Q HN -0.010 nan 8.270 nan 0.000 0.470 7 Q N 0.343 120.128 119.800 -0.024 0.000 2.079 7 Q HA -0.067 4.287 4.340 0.023 0.000 0.200 7 Q C -0.353 175.651 176.000 0.007 0.000 0.974 7 Q CA 1.555 57.359 55.803 0.002 0.000 0.840 7 Q CB 0.283 29.031 28.738 0.017 0.000 0.898 7 Q HN 0.145 nan 8.270 nan 0.000 0.430 8 D N -1.194 119.214 120.400 0.014 0.000 2.405 8 D HA 0.221 4.875 4.640 0.023 0.000 0.264 8 D C -2.235 174.116 176.300 0.086 0.000 1.240 8 D CA -1.788 52.238 54.000 0.043 0.000 0.893 8 D CB 1.364 42.194 40.800 0.049 0.000 1.198 8 D HN -0.007 nan 8.370 nan 0.000 0.514 9 P HA -0.141 nan 4.420 nan 0.000 0.215 9 P C 1.409 178.792 177.300 0.138 0.000 1.153 9 P CA 1.214 64.390 63.100 0.126 0.000 0.853 9 P CB 0.561 32.305 31.700 0.074 0.000 0.788 10 Q N -0.770 119.080 119.800 0.083 0.000 2.050 10 Q HA -0.116 4.238 4.340 0.023 0.000 0.202 10 Q C 2.128 178.165 176.000 0.061 0.000 0.980 10 Q CA 1.414 57.252 55.803 0.059 0.000 0.840 10 Q CB -0.845 27.916 28.738 0.037 0.000 0.898 10 Q HN 0.108 nan 8.270 nan 0.000 0.424 11 V N 0.405 120.366 119.914 0.077 0.000 2.358 11 V HA -0.221 3.913 4.120 0.023 0.000 0.246 11 V C 1.906 178.061 176.094 0.101 0.000 1.047 11 V CA 1.584 63.928 62.300 0.072 0.000 1.035 11 V CB -0.577 31.287 31.823 0.068 0.000 0.658 11 V HN 0.309 nan 8.190 nan 0.000 0.452 12 F N 1.759 121.709 119.950 0.000 0.000 2.095 12 F HA -0.204 4.326 4.527 0.005 0.000 0.298 12 F C 2.299 178.098 175.800 -0.002 0.000 1.104 12 F CA 1.528 59.527 58.000 -0.001 0.000 1.232 12 F CB -0.703 38.295 39.000 -0.003 0.000 0.987 12 F HN 0.080 nan 8.300 nan 0.000 0.475 13 A N 0.375 123.156 122.820 -0.065 0.000 1.908 13 A HA -0.113 4.221 4.320 0.023 0.000 0.218 13 A C 2.430 179.913 177.584 -0.167 0.000 1.181 13 A CA 2.126 54.068 52.037 -0.157 0.000 0.627 13 A CB -1.617 17.373 19.000 -0.017 0.000 0.818 13 A HN 0.539 nan 8.150 nan 0.000 0.445 14 A N -0.237 122.527 122.820 -0.093 0.000 1.898 14 A HA -0.023 4.311 4.320 0.023 0.000 0.216 14 A C 2.117 179.644 177.584 -0.095 0.000 1.181 14 A CA 1.396 53.391 52.037 -0.071 0.000 0.620 14 A CB -0.571 18.411 19.000 -0.030 0.000 0.819 14 A HN 0.499 nan 8.150 nan 0.000 0.442 15 I N -0.374 120.125 120.570 -0.118 0.000 2.226 15 I HA -0.224 3.960 4.170 0.023 0.000 0.245 15 I C 2.454 178.458 176.117 -0.189 0.000 1.100 15 I CA 1.291 62.519 61.300 -0.121 0.000 1.374 15 I CB -0.357 37.595 38.000 -0.079 0.000 1.057 15 I HN 0.295 nan 8.210 nan 0.000 0.413 16 E N 0.610 120.596 120.200 -0.357 0.000 2.110 16 E HA -0.234 4.130 4.350 0.023 0.000 0.193 16 E C 2.167 178.652 176.600 -0.191 0.000 0.988 16 E CA 1.159 57.343 56.400 -0.359 0.000 0.804 16 E CB -0.197 29.145 29.700 -0.596 0.000 0.745 16 E HN 0.595 nan 8.360 nan 0.000 0.458 17 Q N 0.277 119.986 119.800 -0.152 0.000 2.050 17 Q HA -0.206 4.148 4.340 0.023 0.000 0.202 17 Q C 2.134 178.103 176.000 -0.051 0.000 0.980 17 Q CA 1.585 57.338 55.803 -0.083 0.000 0.840 17 Q CB -0.096 28.604 28.738 -0.064 0.000 0.898 17 Q HN 0.079 nan 8.270 nan 0.000 0.424 18 E N 1.058 121.228 120.200 -0.050 0.000 2.110 18 E HA -0.200 4.164 4.350 0.023 0.000 0.193 18 E C 1.800 178.398 176.600 -0.002 0.000 0.988 18 E CA 1.313 57.703 56.400 -0.017 0.000 0.804 18 E CB -0.066 29.625 29.700 -0.015 0.000 0.745 18 E HN 0.168 nan 8.360 nan 0.000 0.458 19 R N 0.158 120.640 120.500 -0.030 0.000 2.073 19 R HA -0.121 4.233 4.340 0.023 0.000 0.234 19 R C 2.100 178.394 176.300 -0.010 0.000 1.134 19 R CA 1.887 57.973 56.100 -0.022 0.000 0.952 19 R CB -0.051 30.215 30.300 -0.057 0.000 0.850 19 R HN 0.064 nan 8.270 nan 0.000 0.433 20 K N -0.338 120.049 120.400 -0.022 0.000 2.155 20 K HA -0.097 4.237 4.320 0.023 0.000 0.203 20 K C 2.235 178.864 176.600 0.049 0.000 1.052 20 K CA 0.922 57.212 56.287 0.006 0.000 0.948 20 K CB -0.109 32.379 32.500 -0.019 0.000 0.728 20 K HN 0.115 nan 8.250 nan 0.000 0.448 21 R N 1.500 122.019 120.500 0.032 0.000 2.073 21 R HA -0.182 4.172 4.340 0.023 0.000 0.234 21 R C 2.059 178.398 176.300 0.065 0.000 1.134 21 R CA 1.737 57.863 56.100 0.042 0.000 0.952 21 R CB -0.072 30.246 30.300 0.030 0.000 0.850 21 R HN 0.262 nan 8.270 nan 0.000 0.433 22 Q N -1.235 118.614 119.800 0.083 0.000 2.197 22 Q HA -0.249 4.105 4.340 0.023 0.000 0.207 22 Q C 1.922 177.945 176.000 0.037 0.000 0.984 22 Q CA 2.023 57.903 55.803 0.128 0.000 0.869 22 Q CB -0.187 28.661 28.738 0.183 0.000 0.906 22 Q HN 0.536 nan 8.270 nan 0.000 0.426 23 H N -0.443 118.582 119.070 -0.075 0.000 2.403 23 H HA 0.085 4.655 4.556 0.023 0.000 0.298 23 H C 1.790 177.099 175.328 -0.032 0.000 1.059 23 H CA 1.352 57.340 56.048 -0.100 0.000 1.363 23 H CB 0.078 29.787 29.762 -0.088 0.000 1.410 23 H HN 0.223 nan 8.280 nan 0.000 0.528 24 A N 1.001 123.825 122.820 0.007 0.000 1.929 24 A HA 0.017 4.351 4.320 0.023 0.000 0.216 24 A C 0.990 178.558 177.584 -0.027 0.000 1.176 24 A CA 0.616 52.644 52.037 -0.015 0.000 0.628 24 A CB -0.020 19.006 19.000 0.044 0.000 0.816 24 A HN 0.163 nan 8.150 nan 0.000 0.444 25 K N 0.311 120.710 120.400 -0.001 0.000 2.098 25 K HA 0.381 4.715 4.320 0.023 0.000 0.257 25 K C -0.365 176.241 176.600 0.010 0.000 0.999 25 K CA -0.563 55.734 56.287 0.017 0.000 0.924 25 K CB 0.732 33.254 32.500 0.036 0.000 1.028 25 K HN 0.138 nan 8.250 nan 0.000 0.466 26 I N 2.286 122.871 120.570 0.024 0.000 2.308 26 I HA 0.060 4.244 4.170 0.023 0.000 0.293 26 I C 0.503 176.625 176.117 0.009 0.000 1.078 26 I CA -0.519 60.789 61.300 0.014 0.000 1.292 26 I CB 0.111 38.151 38.000 0.066 0.000 1.423 26 I HN 0.494 nan 8.210 nan 0.000 0.493 27 E N 7.115 127.320 120.200 0.008 0.000 2.105 27 E HA 0.276 4.640 4.350 0.023 0.000 0.285 27 E C -0.116 176.472 176.600 -0.021 0.000 1.055 27 E CA 0.084 56.492 56.400 0.013 0.000 0.843 27 E CB 0.592 30.323 29.700 0.052 0.000 1.067 27 E HN 0.563 nan 8.360 nan 0.000 0.398 28 L N 5.075 126.289 121.223 -0.014 0.000 3.069 28 L HA 0.360 4.714 4.340 0.023 0.000 0.271 28 L C 0.147 177.014 176.870 -0.005 0.000 1.201 28 L CA -0.379 54.455 54.840 -0.011 0.000 1.015 28 L CB 0.207 42.260 42.059 -0.011 0.000 1.371 28 L HN 0.535 nan 8.230 nan 0.000 0.574 29 I N 1.147 121.714 120.570 -0.005 0.000 2.587 29 I HA -0.054 4.130 4.170 0.023 0.000 0.284 29 I C 1.602 177.747 176.117 0.047 0.000 1.134 29 I CA 0.095 61.404 61.300 0.016 0.000 1.410 29 I CB 1.451 39.457 38.000 0.009 0.000 1.392 29 I HN 0.166 nan 8.210 nan 0.000 0.545 30 A N 4.489 127.371 122.820 0.102 0.000 2.121 30 A HA -0.113 4.221 4.320 0.023 0.000 0.218 30 A C 1.996 179.764 177.584 0.307 0.000 1.154 30 A CA 1.529 53.689 52.037 0.204 0.000 0.679 30 A CB -0.360 18.736 19.000 0.160 0.000 0.795 30 A HN 0.799 nan 8.150 nan 0.000 0.458 31 S N -1.087 114.726 115.700 0.189 0.000 2.556 31 S HA 0.240 4.724 4.470 0.023 0.000 0.216 31 S C 0.285 174.874 174.600 -0.019 0.000 0.970 31 S CA -0.425 57.767 58.200 -0.012 0.000 0.912 31 S CB 0.131 63.325 63.200 -0.010 0.000 0.790 31 S HN 0.577 nan 8.310 nan 0.000 0.504 32 E N 1.006 121.194 120.200 -0.021 0.000 2.232 32 E HA 0.567 4.931 4.350 0.023 0.000 0.264 32 E C -0.739 175.750 176.600 -0.185 0.000 0.973 32 E CA -0.817 55.520 56.400 -0.104 0.000 0.849 32 E CB 0.983 30.593 29.700 -0.150 0.000 1.198 32 E HN 0.153 nan 8.360 nan 0.000 0.407 33 N N 0.008 118.514 118.700 -0.324 0.000 3.179 33 N HA 0.326 5.080 4.740 0.023 0.000 0.250 33 N C -1.944 173.205 175.510 -0.601 0.000 1.507 33 N CA -0.519 52.300 53.050 -0.385 0.000 0.883 33 N CB 0.940 39.382 38.487 -0.075 0.000 1.435 33 N HN 0.217 nan 8.380 nan 0.000 0.532 34 F N 1.103 121.066 119.950 0.023 0.000 2.460 34 F HA 0.378 4.915 4.527 0.016 0.000 0.341 34 F C 0.754 176.550 175.800 -0.007 0.000 1.130 34 F CA -0.865 57.137 58.000 0.004 0.000 0.962 34 F CB 1.171 40.169 39.000 -0.004 0.000 1.171 34 F HN 0.136 nan 8.300 nan 0.000 0.436 35 V N 0.332 120.333 119.914 0.145 0.000 3.133 35 V HA 0.609 4.743 4.120 0.023 0.000 0.305 35 V C 0.437 176.571 176.094 0.066 0.000 1.084 35 V CA -0.842 61.502 62.300 0.073 0.000 1.089 35 V CB 1.031 32.875 31.823 0.035 0.000 1.073 35 V HN 0.832 nan 8.190 nan 0.000 0.477 36 S N 2.585 118.301 115.700 0.028 0.000 2.614 36 S HA 0.337 4.821 4.470 0.023 0.000 0.265 36 S C 0.905 175.512 174.600 0.012 0.000 1.303 36 S CA -0.195 58.015 58.200 0.016 0.000 1.000 36 S CB 0.711 63.911 63.200 -0.000 0.000 0.935 36 S HN 0.746 nan 8.310 nan 0.000 0.551 37 R N 0.742 121.247 120.500 0.009 0.000 2.120 37 R HA -0.064 4.290 4.340 0.023 0.000 0.234 37 R C 2.531 178.831 176.300 0.001 0.000 1.123 37 R CA 1.324 57.428 56.100 0.006 0.000 0.975 37 R CB -0.928 29.374 30.300 0.004 0.000 0.866 37 R HN 0.821 nan 8.270 nan 0.000 0.446 38 A N 0.589 123.405 122.820 -0.005 0.000 1.930 38 A HA -0.096 4.238 4.320 0.023 0.000 0.217 38 A C 2.314 179.886 177.584 -0.021 0.000 1.175 38 A CA 1.188 53.218 52.037 -0.012 0.000 0.627 38 A CB -0.411 18.580 19.000 -0.015 0.000 0.815 38 A HN 0.110 nan 8.150 nan 0.000 0.443 39 V N 0.037 119.935 119.914 -0.026 0.000 2.343 39 V HA -0.321 3.813 4.120 0.023 0.000 0.247 39 V C 2.656 178.736 176.094 -0.023 0.000 1.051 39 V CA 2.275 64.552 62.300 -0.039 0.000 1.036 39 V CB -0.669 31.128 31.823 -0.044 0.000 0.654 39 V HN 0.579 nan 8.190 nan 0.000 0.451 40 M N -0.790 118.807 119.600 -0.006 0.000 2.117 40 M HA -0.203 4.291 4.480 0.023 0.000 0.262 40 M C 2.202 178.508 176.300 0.010 0.000 1.065 40 M CA 1.840 57.143 55.300 0.006 0.000 1.114 40 M CB -0.560 32.049 32.600 0.016 0.000 1.361 40 M HN 0.370 nan 8.290 nan 0.000 0.408 41 E N 0.532 120.735 120.200 0.005 0.000 2.077 41 E HA -0.170 4.194 4.350 0.023 0.000 0.193 41 E C 2.083 178.686 176.600 0.005 0.000 0.989 41 E CA 1.289 57.692 56.400 0.006 0.000 0.800 41 E CB -0.152 29.549 29.700 0.001 0.000 0.746 41 E HN 0.509 nan 8.360 nan 0.000 0.452 42 A N 1.036 123.854 122.820 -0.002 0.000 1.972 42 A HA -0.229 4.105 4.320 0.023 0.000 0.219 42 A C 2.006 179.607 177.584 0.029 0.000 1.169 42 A CA 1.239 53.276 52.037 -0.001 0.000 0.635 42 A CB -0.287 18.697 19.000 -0.026 0.000 0.810 42 A HN 0.185 nan 8.150 nan 0.000 0.446 43 Q N -1.097 118.722 119.800 0.033 0.000 2.245 43 Q HA -0.048 4.306 4.340 0.023 0.000 0.201 43 Q C 1.620 177.692 176.000 0.119 0.000 0.955 43 Q CA 0.913 56.773 55.803 0.094 0.000 0.870 43 Q CB -0.168 28.599 28.738 0.050 0.000 0.945 43 Q HN 0.645 nan 8.270 nan 0.000 0.461 44 G N 1.159 109.987 108.800 0.047 0.000 3.440 44 G HA2 0.071 4.045 3.960 0.023 0.000 0.263 44 G HA3 0.071 4.045 3.960 0.023 0.000 0.263 44 G C 0.160 175.053 174.900 -0.013 0.000 1.236 44 G CA -0.082 45.025 45.100 0.012 0.000 0.927 44 G HN 0.216 nan 8.290 nan 0.000 0.530 45 S N -0.939 114.757 115.700 -0.006 0.000 2.713 45 S HA 0.318 4.802 4.470 0.023 0.000 0.283 45 S C 1.483 176.045 174.600 -0.064 0.000 1.161 45 S CA -0.000 58.186 58.200 -0.022 0.000 0.999 45 S CB 1.586 64.787 63.200 0.002 0.000 1.039 45 S HN 0.548 nan 8.310 nan 0.000 0.548 46 V N -0.662 119.216 119.914 -0.060 0.000 3.383 46 V HA 0.024 4.158 4.120 0.023 0.000 0.272 46 V C 1.574 177.622 176.094 -0.077 0.000 1.181 46 V CA 0.877 63.130 62.300 -0.079 0.000 1.171 46 V CB -1.437 30.349 31.823 -0.061 0.000 0.800 46 V HN 0.693 nan 8.190 nan 0.000 0.515 47 L N 0.939 122.136 121.223 -0.043 0.000 2.353 47 L HA -0.062 4.292 4.340 0.023 0.000 0.220 47 L C 2.715 179.563 176.870 -0.035 0.000 1.133 47 L CA 2.222 57.060 54.840 -0.004 0.000 0.798 47 L CB -1.254 40.843 42.059 0.062 0.000 0.922 47 L HN 0.538 nan 8.230 nan 0.000 0.445 48 T N -1.168 113.248 114.554 -0.230 0.000 2.929 48 T HA -0.159 4.205 4.350 0.023 0.000 0.271 48 T C 1.600 176.160 174.700 -0.234 0.000 1.085 48 T CA 1.709 63.556 62.100 -0.421 0.000 1.125 48 T CB -0.334 68.056 68.868 -0.797 0.000 0.874 48 T HN 0.523 nan 8.240 nan 0.000 0.494 49 N N -0.064 118.535 118.700 -0.169 0.000 2.459 49 N HA 0.022 4.776 4.740 0.023 0.000 0.181 49 N C 0.429 175.868 175.510 -0.119 0.000 1.046 49 N CA 0.266 53.238 53.050 -0.130 0.000 0.904 49 N CB 0.123 38.554 38.487 -0.093 0.000 0.964 49 N HN 0.134 nan 8.380 nan 0.000 0.444 50 K N 0.782 121.114 120.400 -0.114 0.000 2.234 50 K HA 0.145 4.479 4.320 0.023 0.000 0.277 50 K C -1.450 175.042 176.600 -0.180 0.000 1.038 50 K CA -0.415 55.813 56.287 -0.099 0.000 0.888 50 K CB 0.215 32.691 32.500 -0.041 0.000 1.091 50 K HN -0.060 nan 8.250 nan 0.000 0.467 51 Y N 2.440 122.574 120.300 -0.276 0.000 2.393 51 Y HA 0.342 4.911 4.550 0.031 0.000 0.338 51 Y C 0.431 176.125 175.900 -0.343 0.000 1.029 51 Y CA 0.090 57.926 58.100 -0.440 0.000 1.239 51 Y CB 1.331 39.238 38.460 -0.921 0.000 1.170 51 Y HN 0.710 nan 8.280 nan 0.000 0.515 52 A N 4.945 127.787 122.820 0.038 0.000 2.959 52 A HA 0.233 4.567 4.320 0.023 0.000 0.280 52 A C -0.160 177.455 177.584 0.052 0.000 0.953 52 A CA -0.591 51.501 52.037 0.091 0.000 1.047 52 A CB -0.212 18.792 19.000 0.007 0.000 1.147 52 A HN 0.772 nan 8.150 nan 0.000 0.489 53 Q N 0.302 120.211 119.800 0.181 0.000 2.283 53 Q HA 0.364 4.718 4.340 0.023 0.000 0.301 53 Q C 0.955 176.825 176.000 -0.216 0.000 1.063 53 Q CA 1.644 57.276 55.803 -0.285 0.000 0.952 53 Q CB 0.570 29.137 28.738 -0.286 0.000 1.166 53 Q HN 1.200 nan 8.270 nan 0.000 0.381 54 G N 1.616 110.100 108.800 -0.527 0.000 2.472 54 G HA2 -0.215 3.759 3.960 0.023 0.000 0.205 54 G HA3 -0.215 3.759 3.960 0.023 0.000 0.205 54 G C -1.657 172.955 174.900 -0.479 0.000 1.270 54 G CA -0.797 44.251 45.100 -0.086 0.000 0.974 54 G HN 0.535 nan 8.290 nan 0.000 0.542 55 Y N -0.132 120.244 120.300 0.126 0.000 2.605 55 Y HA 0.599 5.163 4.550 0.024 0.000 0.343 55 Y C -2.062 173.871 175.900 0.055 0.000 1.036 55 Y CA -1.890 56.267 58.100 0.094 0.000 1.065 55 Y CB 2.170 40.705 38.460 0.125 0.000 1.288 55 Y HN 0.420 nan 8.280 nan 0.000 0.481 56 P HA 0.055 nan 4.420 nan 0.000 0.260 56 P C 0.618 177.972 177.300 0.089 0.000 1.185 56 P CA 1.977 65.147 63.100 0.116 0.000 0.763 56 P CB 0.214 31.980 31.700 0.109 0.000 0.776 57 G N 3.319 112.145 108.800 0.043 0.000 2.212 57 G HA2 -0.266 3.708 3.960 0.023 0.000 0.266 57 G HA3 -0.266 3.708 3.960 0.023 0.000 0.266 57 G C 0.599 175.503 174.900 0.006 0.000 0.978 57 G CA -0.241 44.869 45.100 0.018 0.000 0.632 57 G HN 0.541 nan 8.290 nan 0.000 0.537 58 R N 0.113 120.627 120.500 0.024 0.000 2.688 58 R HA 0.257 4.611 4.340 0.023 0.000 0.396 58 R C 0.505 176.748 176.300 -0.095 0.000 1.081 58 R CA -0.445 55.641 56.100 -0.023 0.000 1.093 58 R CB 0.304 30.639 30.300 0.059 0.000 1.338 58 R HN 0.287 nan 8.270 nan 0.000 0.613 59 R N -0.121 120.321 120.500 -0.096 0.000 2.543 59 R HA 0.230 4.584 4.340 0.023 0.000 0.268 59 R C 0.544 176.701 176.300 -0.239 0.000 1.067 59 R CA -0.253 55.804 56.100 -0.072 0.000 1.142 59 R CB 0.475 30.795 30.300 0.034 0.000 1.110 59 R HN 0.151 nan 8.270 nan 0.000 0.549 60 Y N -0.555 119.702 120.300 -0.072 0.000 2.458 60 Y HA 0.183 4.746 4.550 0.022 0.000 0.256 60 Y C -0.190 175.437 175.900 -0.455 0.000 1.159 60 Y CA 0.064 58.013 58.100 -0.251 0.000 1.261 60 Y CB 0.413 38.679 38.460 -0.324 0.000 1.119 60 Y HN 0.401 nan 8.280 nan 0.000 0.524 61 Y N -0.633 119.716 120.300 0.082 0.000 2.462 61 Y HA 0.615 5.182 4.550 0.027 0.000 0.346 61 Y C 0.779 176.686 175.900 0.013 0.000 0.976 61 Y CA -1.848 56.278 58.100 0.043 0.000 1.044 61 Y CB 1.108 39.597 38.460 0.049 0.000 1.230 61 Y HN -0.088 nan 8.280 nan 0.000 0.455 62 G N -0.072 108.825 108.800 0.161 0.000 2.651 62 G HA2 0.402 4.376 3.960 0.023 0.000 0.260 62 G HA3 0.402 4.376 3.960 0.023 0.000 0.260 62 G C 0.801 175.745 174.900 0.074 0.000 1.216 62 G CA -0.131 45.016 45.100 0.079 0.000 0.913 62 G HN 1.426 nan 8.290 nan 0.000 0.535 63 G N -2.237 106.575 108.800 0.020 0.000 2.143 63 G HA2 -0.289 3.685 3.960 0.023 0.000 0.248 63 G HA3 -0.289 3.685 3.960 0.023 0.000 0.248 63 G C 0.919 175.808 174.900 -0.018 0.000 0.991 63 G CA 0.570 45.671 45.100 0.002 0.000 0.689 63 G HN 0.916 nan 8.290 nan 0.000 0.522 64 C N 0.261 119.544 119.300 -0.028 0.000 2.673 64 C HA 0.328 4.802 4.460 0.023 0.000 0.274 64 C C 2.301 177.231 174.990 -0.099 0.000 1.276 64 C CA 0.515 59.519 59.018 -0.024 0.000 1.701 64 C CB -0.513 27.240 27.740 0.021 0.000 1.836 64 C HN 0.653 nan 8.230 nan 0.000 0.596 65 E N 0.715 120.765 120.200 -0.250 0.000 2.147 65 E HA -0.223 4.141 4.350 0.023 0.000 0.199 65 E C 1.154 177.543 176.600 -0.352 0.000 1.005 65 E CA 1.880 58.045 56.400 -0.392 0.000 0.810 65 E CB -0.226 29.075 29.700 -0.666 0.000 0.736 65 E HN 0.811 nan 8.360 nan 0.000 0.460 66 Y N -1.059 119.250 120.300 0.016 0.000 2.389 66 Y HA -0.005 4.559 4.550 0.024 0.000 0.292 66 Y C 2.253 178.160 175.900 0.012 0.000 1.117 66 Y CA 0.339 58.446 58.100 0.012 0.000 1.195 66 Y CB -0.080 38.384 38.460 0.007 0.000 1.076 66 Y HN 0.016 nan 8.280 nan 0.000 0.548 67 V N -2.129 117.862 119.914 0.129 0.000 2.809 67 V HA -0.157 3.977 4.120 0.023 0.000 0.256 67 V C 1.281 177.407 176.094 0.053 0.000 1.080 67 V CA 1.862 64.208 62.300 0.077 0.000 1.102 67 V CB -0.385 31.469 31.823 0.051 0.000 0.705 67 V HN 0.159 nan 8.190 nan 0.000 0.475 68 D N 1.039 121.461 120.400 0.037 0.000 2.117 68 D HA -0.048 4.606 4.640 0.023 0.000 0.197 68 D C 2.029 178.359 176.300 0.050 0.000 0.987 68 D CA 1.846 55.868 54.000 0.036 0.000 0.829 68 D CB -0.235 40.569 40.800 0.008 0.000 0.961 68 D HN 0.532 nan 8.370 nan 0.000 0.460 69 I N 0.080 120.686 120.570 0.060 0.000 2.226 69 I HA -0.227 3.957 4.170 0.023 0.000 0.245 69 I C 2.346 178.502 176.117 0.064 0.000 1.100 69 I CA 0.552 61.893 61.300 0.069 0.000 1.374 69 I CB -0.148 37.912 38.000 0.100 0.000 1.057 69 I HN -0.097 nan 8.210 nan 0.000 0.413 70 V N 0.710 120.664 119.914 0.066 0.000 2.295 70 V HA -0.325 3.809 4.120 0.023 0.000 0.246 70 V C 2.501 178.623 176.094 0.046 0.000 1.049 70 V CA 2.305 64.633 62.300 0.048 0.000 1.024 70 V CB -0.638 31.210 31.823 0.041 0.000 0.648 70 V HN 0.494 nan 8.190 nan 0.000 0.447 71 E N -0.292 119.939 120.200 0.052 0.000 2.077 71 E HA -0.228 4.136 4.350 0.023 0.000 0.193 71 E C 2.253 178.899 176.600 0.077 0.000 0.989 71 E CA 1.208 57.646 56.400 0.064 0.000 0.800 71 E CB -0.036 29.707 29.700 0.071 0.000 0.746 71 E HN 0.574 nan 8.360 nan 0.000 0.452 72 E N 0.452 120.695 120.200 0.070 0.000 2.110 72 E HA -0.173 4.191 4.350 0.023 0.000 0.193 72 E C 2.309 178.947 176.600 0.064 0.000 0.988 72 E CA 0.667 57.106 56.400 0.064 0.000 0.804 72 E CB -0.100 29.634 29.700 0.056 0.000 0.745 72 E HN 0.401 nan 8.360 nan 0.000 0.458 73 L N 0.486 121.748 121.223 0.065 0.000 2.046 73 L HA -0.196 4.158 4.340 0.023 0.000 0.208 73 L C 2.597 179.533 176.870 0.111 0.000 1.077 73 L CA 1.195 56.076 54.840 0.069 0.000 0.747 73 L CB -0.496 41.595 42.059 0.053 0.000 0.896 73 L HN 0.078 nan 8.230 nan 0.000 0.432 74 A N 0.057 122.955 122.820 0.130 0.000 1.877 74 A HA -0.211 4.123 4.320 0.023 0.000 0.216 74 A C 2.373 180.123 177.584 0.276 0.000 1.186 74 A CA 1.539 53.729 52.037 0.255 0.000 0.620 74 A CB -0.484 18.614 19.000 0.163 0.000 0.822 74 A HN 0.320 nan 8.150 nan 0.000 0.443 75 R N -0.645 119.937 120.500 0.136 0.000 2.073 75 R HA -0.102 4.252 4.340 0.023 0.000 0.234 75 R C 2.031 178.337 176.300 0.011 0.000 1.134 75 R CA 1.363 57.492 56.100 0.047 0.000 0.952 75 R CB -0.335 29.967 30.300 0.003 0.000 0.850 75 R HN 0.474 nan 8.270 nan 0.000 0.433 76 E N 0.618 120.836 120.200 0.031 0.000 2.106 76 E HA -0.121 4.243 4.350 0.023 0.000 0.192 76 E C 2.032 178.628 176.600 -0.005 0.000 0.984 76 E CA 1.008 57.414 56.400 0.011 0.000 0.806 76 E CB -0.076 29.637 29.700 0.022 0.000 0.750 76 E HN 0.296 nan 8.360 nan 0.000 0.458 77 R N 0.510 121.026 120.500 0.027 0.000 2.092 77 R HA -0.002 4.352 4.340 0.023 0.000 0.231 77 R C 2.333 178.538 176.300 -0.159 0.000 1.119 77 R CA 1.145 57.246 56.100 0.001 0.000 0.970 77 R CB -0.276 30.106 30.300 0.137 0.000 0.864 77 R HN 0.096 nan 8.270 nan 0.000 0.440 78 A N 1.472 124.136 122.820 -0.259 0.000 1.902 78 A HA -0.185 4.149 4.320 0.023 0.000 0.217 78 A C 1.862 179.362 177.584 -0.139 0.000 1.181 78 A CA 1.375 53.146 52.037 -0.445 0.000 0.623 78 A CB -0.223 18.501 19.000 -0.460 0.000 0.818 78 A HN 0.186 nan 8.150 nan 0.000 0.443 79 K N -0.893 119.455 120.400 -0.086 0.000 2.062 79 K HA -0.138 4.196 4.320 0.023 0.000 0.205 79 K C 2.382 178.955 176.600 -0.044 0.000 1.051 79 K CA 1.299 57.566 56.287 -0.032 0.000 0.941 79 K CB -0.162 32.323 32.500 -0.025 0.000 0.719 79 K HN 0.617 nan 8.250 nan 0.000 0.440 80 Q N 0.779 120.534 119.800 -0.074 0.000 2.084 80 Q HA -0.174 4.180 4.340 0.023 0.000 0.202 80 Q C 2.134 178.046 176.000 -0.146 0.000 0.978 80 Q CA 1.081 56.834 55.803 -0.083 0.000 0.844 80 Q CB 0.042 28.738 28.738 -0.070 0.000 0.898 80 Q HN 0.141 nan 8.270 nan 0.000 0.426 81 L N -0.539 120.525 121.223 -0.266 0.000 2.056 81 L HA -0.107 4.247 4.340 0.023 0.000 0.207 81 L C 1.224 177.723 176.870 -0.619 0.000 1.078 81 L CA 1.796 56.323 54.840 -0.522 0.000 0.749 81 L CB -0.217 41.351 42.059 -0.817 0.000 0.901 81 L HN 0.205 nan 8.230 nan 0.000 0.433 82 F N -1.025 118.860 119.950 -0.108 0.000 2.682 82 F HA 0.423 4.963 4.527 0.021 0.000 0.308 82 F C 1.704 177.470 175.800 -0.056 0.000 1.093 82 F CA 0.195 58.148 58.000 -0.077 0.000 1.244 82 F CB -0.246 38.689 39.000 -0.108 0.000 1.052 82 F HN 0.078 nan 8.300 nan 0.000 0.573 83 G N 1.182 110.021 108.800 0.065 0.000 2.179 83 G HA2 -0.142 3.832 3.960 0.023 0.000 0.257 83 G HA3 -0.142 3.832 3.960 0.023 0.000 0.257 83 G C 0.345 175.266 174.900 0.034 0.000 1.010 83 G CA 0.096 45.216 45.100 0.033 0.000 0.736 83 G HN 0.660 nan 8.290 nan 0.000 0.513 84 A N -0.733 122.118 122.820 0.051 0.000 2.322 84 A HA 0.745 5.079 4.320 0.023 0.000 0.269 84 A C 1.065 178.667 177.584 0.030 0.000 1.094 84 A CA 0.526 52.583 52.037 0.033 0.000 0.807 84 A CB 0.544 19.563 19.000 0.031 0.000 1.047 84 A HN 0.396 nan 8.150 nan 0.000 0.487 85 E N -0.399 119.827 120.200 0.043 0.000 2.230 85 E HA -0.021 4.343 4.350 0.023 0.000 0.192 85 E C 0.156 176.830 176.600 0.123 0.000 0.987 85 E CA 0.651 57.086 56.400 0.059 0.000 0.841 85 E CB 0.139 29.865 29.700 0.043 0.000 0.783 85 E HN 0.696 nan 8.360 nan 0.000 0.481 86 H N -1.002 118.076 119.070 0.013 0.000 2.930 86 H HA 0.586 5.156 4.556 0.025 0.000 0.371 86 H C -1.817 173.524 175.328 0.022 0.000 1.169 86 H CA -0.604 55.455 56.048 0.018 0.000 1.157 86 H CB 2.076 31.854 29.762 0.026 0.000 1.789 86 H HN 0.015 nan 8.280 nan 0.000 0.547 87 A N 4.130 126.602 122.820 -0.579 0.000 2.374 87 A HA 0.283 4.617 4.320 0.023 0.000 0.305 87 A C -0.979 176.338 177.584 -0.447 0.000 1.053 87 A CA -0.887 50.938 52.037 -0.352 0.000 0.726 87 A CB 1.384 20.280 19.000 -0.173 0.000 1.229 87 A HN 0.689 nan 8.150 nan 0.000 0.431 88 N N 2.204 120.815 118.700 -0.149 0.000 2.446 88 N HA 0.322 5.076 4.740 0.023 0.000 0.265 88 N C 0.225 175.772 175.510 0.060 0.000 0.975 88 N CA -0.129 52.925 53.050 0.007 0.000 0.928 88 N CB 1.867 40.425 38.487 0.119 0.000 1.160 88 N HN 0.718 nan 8.380 nan 0.000 0.495 89 V N 1.323 121.295 119.914 0.096 0.000 3.444 89 V HA 0.224 4.358 4.120 0.023 0.000 0.308 89 V C 1.227 177.360 176.094 0.065 0.000 1.371 89 V CA 0.277 62.643 62.300 0.110 0.000 1.141 89 V CB -0.035 31.882 31.823 0.157 0.000 1.037 89 V HN 0.535 nan 8.190 nan 0.000 0.433 90 Q N 0.633 120.470 119.800 0.062 0.000 2.398 90 Q HA 0.183 4.537 4.340 0.023 0.000 0.204 90 Q C -1.625 174.294 176.000 -0.136 0.000 0.932 90 Q CA -0.520 55.267 55.803 -0.028 0.000 0.916 90 Q CB -0.705 28.023 28.738 -0.017 0.000 1.024 90 Q HN 0.557 nan 8.270 nan 0.000 0.504 91 P HA -0.101 nan 4.420 nan 0.000 0.263 91 P C -0.050 177.197 177.300 -0.089 0.000 1.195 91 P CA 0.572 63.601 63.100 -0.119 0.000 0.762 91 P CB 0.433 32.112 31.700 -0.034 0.000 0.799 92 H N 0.513 119.575 119.070 -0.013 0.000 2.457 92 H HA 0.000 4.570 4.556 0.022 0.000 0.294 92 H C 1.023 176.344 175.328 -0.011 0.000 1.064 92 H CA 1.226 57.257 56.048 -0.028 0.000 1.330 92 H CB 0.117 29.858 29.762 -0.034 0.000 1.395 92 H HN 0.498 nan 8.280 nan 0.000 0.541 93 S N -2.586 113.183 115.700 0.115 0.000 2.643 93 S HA 0.436 4.920 4.470 0.023 0.000 0.270 93 S C 1.301 175.943 174.600 0.071 0.000 1.166 93 S CA -0.384 57.877 58.200 0.102 0.000 0.815 93 S CB 1.285 64.544 63.200 0.098 0.000 1.139 93 S HN 0.099 nan 8.310 nan 0.000 0.472 94 G N 0.409 109.252 108.800 0.073 0.000 2.422 94 G HA2 0.161 4.135 3.960 0.023 0.000 0.218 94 G HA3 0.161 4.135 3.960 0.023 0.000 0.218 94 G C 1.435 176.364 174.900 0.048 0.000 1.140 94 G CA 0.936 46.046 45.100 0.016 0.000 0.775 94 G HN 1.261 nan 8.290 nan 0.000 0.545 95 A N 0.269 123.152 122.820 0.104 0.000 1.902 95 A HA -0.077 4.257 4.320 0.023 0.000 0.217 95 A C 2.359 180.008 177.584 0.108 0.000 1.181 95 A CA 2.083 54.230 52.037 0.182 0.000 0.623 95 A CB -0.330 18.791 19.000 0.202 0.000 0.818 95 A HN 0.336 nan 8.150 nan 0.000 0.443 96 Q N -0.587 119.233 119.800 0.032 0.000 2.172 96 Q HA 0.169 4.523 4.340 0.023 0.000 0.200 96 Q C 2.246 178.221 176.000 -0.041 0.000 0.964 96 Q CA 1.401 57.184 55.803 -0.034 0.000 0.855 96 Q CB -0.608 28.117 28.738 -0.022 0.000 0.918 96 Q HN 0.638 nan 8.270 nan 0.000 0.444 97 A N 0.815 123.621 122.820 -0.023 0.000 1.877 97 A HA -0.225 4.109 4.320 0.023 0.000 0.216 97 A C 1.801 179.327 177.584 -0.097 0.000 1.186 97 A CA 1.739 53.749 52.037 -0.045 0.000 0.620 97 A CB -0.584 18.396 19.000 -0.034 0.000 0.822 97 A HN 0.331 nan 8.150 nan 0.000 0.443 98 N N -0.555 118.089 118.700 -0.095 0.000 2.084 98 N HA -0.161 4.593 4.740 0.023 0.000 0.190 98 N C 1.755 177.033 175.510 -0.387 0.000 1.030 98 N CA 1.705 54.588 53.050 -0.279 0.000 0.849 98 N CB -0.546 37.877 38.487 -0.107 0.000 1.012 98 N HN 0.621 nan 8.380 nan 0.000 0.423 99 M N 0.736 120.345 119.600 0.015 0.000 2.082 99 M HA -0.204 4.290 4.480 0.023 0.000 0.258 99 M C 1.872 178.223 176.300 0.085 0.000 1.069 99 M CA 1.905 57.290 55.300 0.142 0.000 1.102 99 M CB -0.077 32.396 32.600 -0.212 0.000 1.336 99 M HN 0.195 nan 8.290 nan 0.000 0.404 100 A N -0.663 122.139 122.820 -0.029 0.000 1.933 100 A HA -0.120 4.214 4.320 0.023 0.000 0.218 100 A C 2.022 179.597 177.584 -0.015 0.000 1.175 100 A CA 1.894 53.932 52.037 0.001 0.000 0.628 100 A CB -1.050 17.934 19.000 -0.026 0.000 0.814 100 A HN 0.444 nan 8.150 nan 0.000 0.444 101 V N -1.159 118.643 119.914 -0.187 0.000 2.358 101 V HA -0.238 3.896 4.120 0.023 0.000 0.246 101 V C 2.414 178.338 176.094 -0.284 0.000 1.047 101 V CA 1.766 63.824 62.300 -0.403 0.000 1.035 101 V CB -1.074 30.439 31.823 -0.516 0.000 0.658 101 V HN 0.631 nan 8.190 nan 0.000 0.452 102 Y N -0.812 119.424 120.300 -0.107 0.000 2.165 102 Y HA -0.218 4.347 4.550 0.025 0.000 0.286 102 Y C 2.290 178.179 175.900 -0.018 0.000 1.155 102 Y CA 1.006 59.023 58.100 -0.139 0.000 1.164 102 Y CB -1.239 37.251 38.460 0.050 0.000 0.978 102 Y HN 0.271 nan 8.280 nan 0.000 0.513 103 F N 0.602 120.650 119.950 0.164 0.000 2.216 103 F HA -0.223 4.319 4.527 0.025 0.000 0.300 103 F C 2.217 178.019 175.800 0.003 0.000 1.085 103 F CA 1.923 59.997 58.000 0.124 0.000 1.326 103 F CB -0.441 38.612 39.000 0.088 0.000 1.027 103 F HN -0.043 nan 8.300 nan 0.000 0.497 104 T N -0.513 114.036 114.554 -0.009 0.000 2.701 104 T HA -0.121 4.243 4.350 0.023 0.000 0.263 104 T C 1.962 176.517 174.700 -0.242 0.000 1.040 104 T CA 2.000 64.013 62.100 -0.144 0.000 1.147 104 T CB -0.505 68.213 68.868 -0.250 0.000 0.865 104 T HN 0.234 nan 8.240 nan 0.000 0.426 105 V N -1.548 118.159 119.914 -0.345 0.000 3.644 105 V HA 0.474 4.608 4.120 0.023 0.000 0.267 105 V C 0.425 176.385 176.094 -0.222 0.000 1.277 105 V CA -0.013 62.059 62.300 -0.380 0.000 1.096 105 V CB -0.582 30.827 31.823 -0.689 0.000 0.828 105 V HN 0.225 nan 8.190 nan 0.000 0.446 106 L N 0.671 121.781 121.223 -0.188 0.000 2.333 106 L HA 0.668 5.021 4.340 0.023 0.000 0.269 106 L C -0.244 176.637 176.870 0.019 0.000 1.010 106 L CA -0.515 54.249 54.840 -0.127 0.000 0.818 106 L CB 2.202 44.037 42.059 -0.373 0.000 1.306 106 L HN 0.115 nan 8.230 nan 0.000 0.430 107 E N -0.644 119.603 120.200 0.080 0.000 2.222 107 E HA 0.226 4.590 4.350 0.023 0.000 0.272 107 E C -1.005 175.748 176.600 0.254 0.000 0.982 107 E CA -0.987 55.489 56.400 0.127 0.000 0.842 107 E CB 1.559 31.297 29.700 0.064 0.000 1.144 107 E HN 0.458 nan 8.360 nan 0.000 0.397 108 H N 0.290 119.423 119.070 0.104 0.000 3.167 108 H HA 0.021 4.591 4.556 0.023 0.000 0.306 108 H C 1.077 176.427 175.328 0.038 0.000 0.965 108 H CA 1.926 57.975 56.048 0.003 0.000 1.408 108 H CB 0.016 29.754 29.762 -0.041 0.000 1.406 108 H HN 0.736 nan 8.280 nan 0.000 0.576 109 G N 3.689 112.197 108.800 -0.487 0.000 2.176 109 G HA2 -0.270 3.704 3.960 0.023 0.000 0.253 109 G HA3 -0.270 3.704 3.960 0.023 0.000 0.253 109 G C -0.015 174.829 174.900 -0.093 0.000 0.979 109 G CA 0.083 44.970 45.100 -0.354 0.000 0.641 109 G HN 0.736 nan 8.290 nan 0.000 0.530 110 D N 1.310 121.725 120.400 0.025 0.000 2.423 110 D HA 0.417 5.071 4.640 0.023 0.000 0.238 110 D C 0.866 177.109 176.300 -0.096 0.000 1.142 110 D CA 0.728 54.717 54.000 -0.019 0.000 0.884 110 D CB 0.742 41.525 40.800 -0.028 0.000 1.199 110 D HN 0.117 nan 8.370 nan 0.000 0.438 111 T N 1.271 115.751 114.554 -0.123 0.000 2.832 111 T HA 0.375 4.739 4.350 0.023 0.000 0.296 111 T C 0.055 174.573 174.700 -0.303 0.000 0.968 111 T CA -0.483 61.506 62.100 -0.184 0.000 1.107 111 T CB 0.705 69.515 68.868 -0.096 0.000 0.916 111 T HN -0.003 nan 8.240 nan 0.000 0.517 112 V N 4.334 123.925 119.914 -0.539 0.000 2.656 112 V HA 0.489 4.623 4.120 0.023 0.000 0.307 112 V C -0.617 175.141 176.094 -0.560 0.000 1.051 112 V CA -1.045 60.819 62.300 -0.726 0.000 0.893 112 V CB 1.936 32.871 31.823 -1.480 0.000 0.999 112 V HN 0.669 nan 8.190 nan 0.000 0.426 113 L N 4.130 125.223 121.223 -0.216 0.000 2.272 113 L HA 0.949 5.303 4.340 0.023 0.000 0.289 113 L C 0.300 177.263 176.870 0.154 0.000 1.032 113 L CA 0.596 55.448 54.840 0.020 0.000 0.810 113 L CB 0.895 43.049 42.059 0.159 0.000 1.205 113 L HN 0.810 nan 8.230 nan 0.000 0.422 114 G N 4.023 112.902 108.800 0.132 0.000 2.798 114 G HA2 0.444 4.418 3.960 0.023 0.000 0.286 114 G HA3 0.444 4.418 3.960 0.023 0.000 0.286 114 G C -1.287 173.232 174.900 -0.635 0.000 1.389 114 G CA -0.944 44.170 45.100 0.023 0.000 0.894 114 G HN 0.645 nan 8.290 nan 0.000 0.488 115 M N 1.488 120.664 119.600 -0.706 0.000 2.217 115 M HA 0.208 4.702 4.480 0.023 0.000 0.354 115 M C 0.493 176.508 176.300 -0.475 0.000 1.225 115 M CA -0.687 54.046 55.300 -0.945 0.000 1.137 115 M CB 0.522 32.906 32.600 -0.360 0.000 1.576 115 M HN 0.572 nan 8.290 nan 0.000 0.461 116 N N 3.563 121.966 118.700 -0.495 0.000 2.294 116 N HA -0.086 4.668 4.740 0.023 0.000 0.263 116 N C 0.454 175.804 175.510 -0.266 0.000 1.281 116 N CA 0.263 53.059 53.050 -0.423 0.000 0.846 116 N CB 0.592 38.615 38.487 -0.774 0.000 1.061 116 N HN 0.701 nan 8.380 nan 0.000 0.478 117 L N 2.972 124.061 121.223 -0.223 0.000 2.141 117 L HA -0.101 4.253 4.340 0.023 0.000 0.209 117 L C 2.232 179.031 176.870 -0.119 0.000 1.094 117 L CA 1.288 56.029 54.840 -0.165 0.000 0.763 117 L CB -0.361 41.583 42.059 -0.193 0.000 0.908 117 L HN 0.539 nan 8.230 nan 0.000 0.437 118 S N -2.102 113.529 115.700 -0.116 0.000 2.561 118 S HA -0.043 4.441 4.470 0.023 0.000 0.225 118 S C 1.394 176.075 174.600 0.135 0.000 0.977 118 S CA 0.513 58.703 58.200 -0.017 0.000 0.926 118 S CB -0.440 62.751 63.200 -0.015 0.000 0.769 118 S HN 0.583 nan 8.310 nan 0.000 0.533 119 H N -0.954 118.030 119.070 -0.142 0.000 2.652 119 H HA 0.311 4.881 4.556 0.023 0.000 0.274 119 H C 1.610 176.924 175.328 -0.024 0.000 1.021 119 H CA 0.209 56.199 56.048 -0.098 0.000 1.187 119 H CB 0.798 30.487 29.762 -0.122 0.000 1.505 119 H HN 0.501 nan 8.280 nan 0.000 0.530 120 G N 0.571 109.417 108.800 0.076 0.000 2.672 120 G HA2 -0.179 3.795 3.960 0.023 0.000 0.197 120 G HA3 -0.179 3.795 3.960 0.023 0.000 0.197 120 G C 0.731 175.661 174.900 0.050 0.000 0.995 120 G CA -0.345 44.797 45.100 0.070 0.000 0.754 120 G HN 0.500 nan 8.290 nan 0.000 0.505 121 G N 0.050 108.859 108.800 0.014 0.000 2.554 121 G HA2 0.417 4.391 3.960 0.023 0.000 0.238 121 G HA3 0.417 4.391 3.960 0.023 0.000 0.238 121 G C -0.086 174.806 174.900 -0.014 0.000 1.259 121 G CA 0.274 45.410 45.100 0.062 0.000 0.843 121 G HN 0.473 nan 8.290 nan 0.000 0.582 122 H N 1.248 120.154 119.070 -0.274 0.000 2.505 122 H HA 0.133 4.703 4.556 0.023 0.000 0.355 122 H C 1.399 176.460 175.328 -0.445 0.000 1.179 122 H CA -0.880 54.870 56.048 -0.496 0.000 1.343 122 H CB 1.587 30.882 29.762 -0.777 0.000 1.501 122 H HN 0.313 nan 8.280 nan 0.000 0.569 123 L N 2.721 123.239 121.223 -1.175 0.000 2.051 123 L HA -0.224 4.130 4.340 0.023 0.000 0.214 123 L C 2.456 179.001 176.870 -0.542 0.000 1.076 123 L CA 2.572 56.947 54.840 -0.775 0.000 0.758 123 L CB -0.708 40.903 42.059 -0.747 0.000 0.890 123 L HN 0.859 nan 8.230 nan 0.000 0.433 124 T N -4.537 109.770 114.554 -0.411 0.000 3.160 124 T HA -0.052 4.312 4.350 0.023 0.000 0.257 124 T C 0.875 175.567 174.700 -0.014 0.000 1.147 124 T CA 0.369 62.403 62.100 -0.110 0.000 1.064 124 T CB -0.712 68.315 68.868 0.265 0.000 0.949 124 T HN 0.382 nan 8.240 nan 0.000 0.526 125 H N 1.107 120.043 119.070 -0.224 0.000 2.605 125 H HA 0.521 5.091 4.556 0.023 0.000 0.308 125 H C 1.581 176.302 175.328 -1.012 0.000 1.080 125 H CA -0.875 54.971 56.048 -0.337 0.000 1.119 125 H CB -0.313 29.406 29.762 -0.072 0.000 1.479 125 H HN 0.566 nan 8.280 nan 0.000 0.537 126 G N 0.161 108.204 108.800 -1.262 0.000 2.141 126 G HA2 -0.248 3.726 3.960 0.023 0.000 0.164 126 G HA3 -0.248 3.726 3.960 0.023 0.000 0.164 126 G C 0.325 174.871 174.900 -0.590 0.000 1.009 126 G CA 0.104 44.340 45.100 -1.441 0.000 0.677 126 G HN 0.493 nan 8.290 nan 0.000 0.508 127 S N 1.022 116.446 115.700 -0.459 0.000 2.549 127 S HA 0.444 4.928 4.470 0.023 0.000 0.286 127 S C 0.076 174.544 174.600 -0.220 0.000 1.314 127 S CA -0.130 57.895 58.200 -0.291 0.000 1.062 127 S CB 1.141 64.181 63.200 -0.266 0.000 0.865 127 S HN 0.193 nan 8.310 nan 0.000 0.498 128 P HA -0.002 nan 4.420 nan 0.000 0.233 128 P C 0.984 178.247 177.300 -0.060 0.000 1.167 128 P CA 0.677 63.724 63.100 -0.088 0.000 0.770 128 P CB -0.257 31.407 31.700 -0.060 0.000 0.837 129 V N -4.299 115.577 119.914 -0.063 0.000 3.542 129 V HA 0.280 4.414 4.120 0.023 0.000 0.296 129 V C 0.714 176.792 176.094 -0.026 0.000 1.364 129 V CA -0.432 61.852 62.300 -0.028 0.000 1.118 129 V CB -1.001 30.818 31.823 -0.007 0.000 0.972 129 V HN 0.010 nan 8.190 nan 0.000 0.430 130 N N 0.557 119.211 118.700 -0.077 0.000 2.430 130 N HA 0.262 5.016 4.740 0.023 0.000 0.298 130 N C 0.982 176.451 175.510 -0.068 0.000 1.130 130 N CA -0.172 52.834 53.050 -0.073 0.000 0.894 130 N CB 2.140 40.499 38.487 -0.213 0.000 1.209 130 N HN 0.211 nan 8.380 nan 0.000 0.503 131 F N 2.051 122.014 119.950 0.021 0.000 2.154 131 F HA -0.190 4.351 4.527 0.024 0.000 0.301 131 F C 2.288 178.126 175.800 0.064 0.000 1.087 131 F CA 1.516 59.544 58.000 0.047 0.000 1.274 131 F CB -0.925 38.129 39.000 0.090 0.000 1.009 131 F HN 0.425 nan 8.300 nan 0.000 0.485 132 S N 0.376 115.526 115.700 -0.916 0.000 2.368 132 S HA -0.017 4.467 4.470 0.023 0.000 0.224 132 S C 2.239 176.736 174.600 -0.171 0.000 1.029 132 S CA 0.850 58.724 58.200 -0.544 0.000 0.988 132 S CB -1.576 61.143 63.200 -0.801 0.000 0.838 132 S HN 0.553 nan 8.310 nan 0.000 0.462 133 G N 0.300 108.929 108.800 -0.285 0.000 2.650 133 G HA2 0.148 4.122 3.960 0.023 0.000 0.214 133 G HA3 0.148 4.122 3.960 0.023 0.000 0.214 133 G C 1.233 176.108 174.900 -0.042 0.000 1.136 133 G CA 0.593 45.620 45.100 -0.122 0.000 0.789 133 G HN 0.470 nan 8.290 nan 0.000 0.536 134 V N -0.426 119.457 119.914 -0.052 0.000 2.575 134 V HA -0.016 4.118 4.120 0.023 0.000 0.242 134 V C 2.700 178.770 176.094 -0.040 0.000 1.045 134 V CA 1.034 63.325 62.300 -0.016 0.000 1.065 134 V CB 0.271 32.108 31.823 0.023 0.000 0.717 134 V HN 0.191 nan 8.190 nan 0.000 0.467 135 Q N -0.811 118.907 119.800 -0.136 0.000 2.137 135 Q HA 0.049 4.403 4.340 0.023 0.000 0.198 135 Q C -0.119 175.467 176.000 -0.689 0.000 0.960 135 Q CA 1.068 56.634 55.803 -0.395 0.000 0.847 135 Q CB 0.216 28.532 28.738 -0.705 0.000 0.915 135 Q HN 0.640 nan 8.270 nan 0.000 0.448 136 Y N -0.763 119.525 120.300 -0.021 0.000 2.570 136 Y HA 0.318 4.882 4.550 0.023 0.000 0.345 136 Y C 0.052 175.915 175.900 -0.060 0.000 1.014 136 Y CA -1.794 56.244 58.100 -0.103 0.000 1.063 136 Y CB 0.674 39.043 38.460 -0.151 0.000 1.272 136 Y HN -0.157 nan 8.280 nan 0.000 0.477 137 N N 1.412 120.114 118.700 0.003 0.000 2.555 137 N HA 0.209 4.963 4.740 0.023 0.000 0.244 137 N C -1.754 173.689 175.510 -0.111 0.000 1.114 137 N CA -0.081 52.943 53.050 -0.043 0.000 0.963 137 N CB -0.311 38.127 38.487 -0.080 0.000 1.276 137 N HN 0.422 nan 8.380 nan 0.000 0.510 138 F N 2.627 122.509 119.950 -0.114 0.000 2.410 138 F HA 0.274 4.815 4.527 0.024 0.000 0.348 138 F C 0.650 176.347 175.800 -0.172 0.000 1.106 138 F CA -0.454 57.462 58.000 -0.139 0.000 1.163 138 F CB 0.914 39.829 39.000 -0.141 0.000 1.129 138 F HN 0.149 nan 8.300 nan 0.000 0.516 139 V N 0.957 120.825 119.914 -0.077 0.000 2.919 139 V HA 0.969 5.103 4.120 0.023 0.000 0.316 139 V C -0.547 175.512 176.094 -0.058 0.000 1.077 139 V CA -1.141 61.064 62.300 -0.159 0.000 0.977 139 V CB 1.360 32.920 31.823 -0.438 0.000 1.039 139 V HN 0.870 nan 8.190 nan 0.000 0.441 140 A N 2.677 125.445 122.820 -0.087 0.000 2.350 140 A HA 0.901 5.235 4.320 0.023 0.000 0.324 140 A C -0.888 176.656 177.584 -0.066 0.000 1.118 140 A CA -0.698 51.250 52.037 -0.148 0.000 0.783 140 A CB 1.206 20.077 19.000 -0.215 0.000 1.236 140 A HN 1.503 nan 8.150 nan 0.000 0.457 141 Y N 0.293 120.588 120.300 -0.008 0.000 2.419 141 Y HA 0.813 5.377 4.550 0.023 0.000 0.328 141 Y C 0.466 176.333 175.900 -0.054 0.000 1.162 141 Y CA -0.946 57.147 58.100 -0.011 0.000 1.174 141 Y CB 0.886 39.354 38.460 0.014 0.000 1.228 141 Y HN 0.755 nan 8.280 nan 0.000 0.473 142 G N 0.592 109.506 108.800 0.189 0.000 2.735 142 G HA2 0.599 4.573 3.960 0.023 0.000 0.301 142 G HA3 0.599 4.573 3.960 0.023 0.000 0.301 142 G C -0.993 174.102 174.900 0.326 0.000 1.279 142 G CA -0.696 44.522 45.100 0.198 0.000 1.019 142 G HN 1.089 nan 8.290 nan 0.000 0.497 143 V N -2.013 118.182 119.914 0.468 0.000 2.837 143 V HA 0.502 4.636 4.120 0.023 0.000 0.310 143 V C 0.134 176.427 176.094 0.332 0.000 1.059 143 V CA -1.161 61.321 62.300 0.303 0.000 1.004 143 V CB 1.769 33.760 31.823 0.280 0.000 1.045 143 V HN 0.660 nan 8.190 nan 0.000 0.465 144 D N 3.648 124.175 120.400 0.211 0.000 2.458 144 D HA 0.115 4.769 4.640 0.023 0.000 0.243 144 D C -1.529 174.838 176.300 0.112 0.000 1.146 144 D CA -1.066 53.012 54.000 0.130 0.000 0.877 144 D CB 1.939 42.770 40.800 0.052 0.000 1.176 144 D HN 0.528 nan 8.370 nan 0.000 0.461 145 P HA -0.089 nan 4.420 nan 0.000 0.230 145 P C 0.668 177.852 177.300 -0.194 0.000 1.158 145 P CA 0.874 63.810 63.100 -0.273 0.000 0.769 145 P CB 0.569 31.891 31.700 -0.630 0.000 0.807 146 E N -0.282 119.779 120.200 -0.232 0.000 2.256 146 E HA -0.033 4.331 4.350 0.023 0.000 0.198 146 E C 1.876 178.175 176.600 -0.502 0.000 0.908 146 E CA 1.155 57.375 56.400 -0.300 0.000 0.915 146 E CB -0.484 29.118 29.700 -0.163 0.000 0.890 146 E HN 0.139 nan 8.360 nan 0.000 0.484 147 T N -3.101 111.239 114.554 -0.357 0.000 3.037 147 T HA 0.052 4.416 4.350 0.023 0.000 0.252 147 T C 0.168 174.742 174.700 -0.209 0.000 1.073 147 T CA 0.731 62.678 62.100 -0.255 0.000 1.091 147 T CB -0.429 68.396 68.868 -0.072 0.000 0.935 147 T HN 0.393 nan 8.240 nan 0.000 0.488 148 H N -0.676 118.444 119.070 0.083 0.000 2.958 148 H HA -0.100 4.470 4.556 0.024 0.000 0.274 148 H C -0.446 175.016 175.328 0.223 0.000 1.184 148 H CA 0.146 56.268 56.048 0.123 0.000 1.143 148 H CB -2.449 27.359 29.762 0.077 0.000 1.297 148 H HN 0.341 nan 8.280 nan 0.000 0.356 149 V N 1.385 121.458 119.914 0.265 0.000 2.509 149 V HA 0.145 4.279 4.120 0.023 0.000 0.284 149 V C 1.307 177.548 176.094 0.244 0.000 1.047 149 V CA -0.536 61.968 62.300 0.339 0.000 0.952 149 V CB 1.405 33.364 31.823 0.226 0.000 0.988 149 V HN 0.215 nan 8.190 nan 0.000 0.469 150 I N 3.842 124.510 120.570 0.162 0.000 3.015 150 I HA -0.089 4.095 4.170 0.023 0.000 0.309 150 I C 0.757 176.703 176.117 -0.285 0.000 1.229 150 I CA 0.648 61.829 61.300 -0.197 0.000 1.430 150 I CB 0.037 37.694 38.000 -0.571 0.000 1.347 150 I HN 0.640 nan 8.210 nan 0.000 0.544 151 D N 7.177 127.486 120.400 -0.151 0.000 2.374 151 D HA 0.016 4.670 4.640 0.023 0.000 0.240 151 D C 0.573 176.735 176.300 -0.231 0.000 1.229 151 D CA 0.010 53.957 54.000 -0.088 0.000 0.895 151 D CB 0.440 41.259 40.800 0.031 0.000 1.046 151 D HN 0.352 nan 8.370 nan 0.000 0.498 152 Y N 1.592 121.810 120.300 -0.136 0.000 2.439 152 Y HA -0.090 4.474 4.550 0.023 0.000 0.292 152 Y C 1.962 177.743 175.900 -0.197 0.000 1.130 152 Y CA 0.511 58.453 58.100 -0.264 0.000 1.254 152 Y CB 0.281 38.575 38.460 -0.277 0.000 1.000 152 Y HN 0.383 nan 8.280 nan 0.000 0.554 153 D N -0.236 120.170 120.400 0.010 0.000 2.183 153 D HA -0.153 4.501 4.640 0.023 0.000 0.203 153 D C 1.543 177.834 176.300 -0.016 0.000 0.969 153 D CA 1.266 55.262 54.000 -0.006 0.000 0.842 153 D CB -0.166 40.639 40.800 0.009 0.000 0.957 153 D HN 0.396 nan 8.370 nan 0.000 0.484 154 D N 0.362 120.753 120.400 -0.016 0.000 2.123 154 D HA -0.113 4.541 4.640 0.023 0.000 0.200 154 D C 2.121 178.426 176.300 0.008 0.000 0.976 154 D CA 0.537 54.549 54.000 0.019 0.000 0.831 154 D CB 0.173 41.011 40.800 0.063 0.000 0.974 154 D HN -0.103 nan 8.370 nan 0.000 0.469 155 V N 0.574 120.419 119.914 -0.115 0.000 2.332 155 V HA -0.239 3.895 4.120 0.023 0.000 0.248 155 V C 2.621 178.658 176.094 -0.094 0.000 1.055 155 V CA 2.077 64.250 62.300 -0.211 0.000 1.038 155 V CB -0.629 30.799 31.823 -0.660 0.000 0.651 155 V HN 0.228 nan 8.190 nan 0.000 0.450 156 R N -0.100 120.346 120.500 -0.089 0.000 2.090 156 R HA -0.178 4.176 4.340 0.023 0.000 0.228 156 R C 2.411 178.703 176.300 -0.013 0.000 1.110 156 R CA 1.772 57.844 56.100 -0.046 0.000 0.973 156 R CB -0.191 30.082 30.300 -0.046 0.000 0.869 156 R HN 0.687 nan 8.270 nan 0.000 0.440 157 E N 0.255 120.453 120.200 -0.004 0.000 2.072 157 E HA -0.171 4.193 4.350 0.023 0.000 0.191 157 E C 1.464 178.069 176.600 0.009 0.000 0.985 157 E CA 0.980 57.380 56.400 -0.001 0.000 0.801 157 E CB 0.234 29.938 29.700 0.006 0.000 0.750 157 E HN 0.131 nan 8.360 nan 0.000 0.452 158 K N 0.166 120.607 120.400 0.068 0.000 2.148 158 K HA -0.065 4.269 4.320 0.023 0.000 0.204 158 K C 1.990 178.686 176.600 0.160 0.000 1.050 158 K CA 0.948 57.335 56.287 0.167 0.000 0.942 158 K CB -0.203 32.447 32.500 0.251 0.000 0.724 158 K HN 0.169 nan 8.250 nan 0.000 0.446 159 A N 1.488 124.366 122.820 0.096 0.000 1.898 159 A HA -0.122 4.212 4.320 0.023 0.000 0.216 159 A C 2.184 179.791 177.584 0.038 0.000 1.181 159 A CA 1.092 53.176 52.037 0.078 0.000 0.620 159 A CB -0.270 18.764 19.000 0.056 0.000 0.819 159 A HN 0.219 nan 8.150 nan 0.000 0.442 160 R N -1.340 119.163 120.500 0.005 0.000 2.119 160 R HA 0.039 4.393 4.340 0.023 0.000 0.222 160 R C 2.009 178.280 176.300 -0.049 0.000 1.088 160 R CA 1.067 57.157 56.100 -0.017 0.000 0.984 160 R CB -0.305 29.982 30.300 -0.021 0.000 0.884 160 R HN 0.483 nan 8.270 nan 0.000 0.447 161 L N -0.117 121.044 121.223 -0.103 0.000 2.068 161 L HA -0.057 4.297 4.340 0.023 0.000 0.204 161 L C 1.751 178.475 176.870 -0.244 0.000 1.076 161 L CA 1.855 56.562 54.840 -0.223 0.000 0.753 161 L CB -0.272 41.560 42.059 -0.379 0.000 0.910 161 L HN 0.157 nan 8.230 nan 0.000 0.439 162 H N 0.233 119.304 119.070 0.002 0.000 2.544 162 H HA 0.240 4.810 4.556 0.024 0.000 0.269 162 H C 0.020 175.339 175.328 -0.014 0.000 0.970 162 H CA 0.114 56.158 56.048 -0.007 0.000 1.219 162 H CB 0.203 29.961 29.762 -0.008 0.000 1.421 162 H HN 0.159 nan 8.280 nan 0.000 0.555 163 R N 0.634 121.182 120.500 0.078 0.000 3.127 163 R HA -0.105 4.249 4.340 0.023 0.000 0.247 163 R C -2.610 173.709 176.300 0.033 0.000 0.896 163 R CA 0.035 56.159 56.100 0.040 0.000 0.624 163 R CB -2.202 28.109 30.300 0.019 0.000 1.154 163 R HN 0.429 nan 8.270 nan 0.000 0.474 164 P HA 0.095 nan 4.420 nan 0.000 0.274 164 P C 0.570 177.865 177.300 -0.009 0.000 1.231 164 P CA -0.316 62.775 63.100 -0.015 0.000 0.790 164 P CB 0.904 32.591 31.700 -0.023 0.000 0.951 165 K N 1.181 121.562 120.400 -0.031 0.000 2.228 165 K HA 0.120 4.454 4.320 0.023 0.000 0.202 165 K C 0.461 177.106 176.600 0.075 0.000 1.051 165 K CA 0.601 56.900 56.287 0.020 0.000 0.960 165 K CB 0.152 32.655 32.500 0.005 0.000 0.743 165 K HN 0.391 nan 8.250 nan 0.000 0.458 166 L N 1.633 122.852 121.223 -0.006 0.000 2.431 166 L HA 0.458 4.812 4.340 0.023 0.000 0.266 166 L C -1.408 175.475 176.870 0.022 0.000 0.978 166 L CA -0.778 54.083 54.840 0.036 0.000 0.822 166 L CB 1.992 44.013 42.059 -0.062 0.000 1.310 166 L HN -0.020 nan 8.230 nan 0.000 0.409 167 I N 4.326 124.969 120.570 0.123 0.000 2.404 167 I HA 0.401 4.585 4.170 0.023 0.000 0.293 167 I C -0.463 175.753 176.117 0.165 0.000 0.992 167 I CA -0.801 60.600 61.300 0.168 0.000 1.149 167 I CB 2.086 40.232 38.000 0.244 0.000 1.315 167 I HN 0.191 nan 8.210 nan 0.000 0.446 168 V N 5.447 125.456 119.914 0.158 0.000 2.435 168 V HA 0.749 4.883 4.120 0.023 0.000 0.290 168 V C 0.204 176.292 176.094 -0.010 0.000 1.030 168 V CA -0.413 61.919 62.300 0.053 0.000 0.881 168 V CB 1.487 33.319 31.823 0.017 0.000 0.983 168 V HN 0.851 nan 8.190 nan 0.000 0.445 169 A N 3.908 126.609 122.820 -0.199 0.000 2.380 169 A HA 1.061 5.395 4.320 0.023 0.000 0.315 169 A C -0.060 177.434 177.584 -0.150 0.000 1.101 169 A CA -0.037 51.764 52.037 -0.394 0.000 0.771 169 A CB 1.659 20.052 19.000 -1.010 0.000 1.287 169 A HN 2.519 nan 8.150 nan 0.000 0.436 170 A N -0.960 121.840 122.820 -0.035 0.000 2.436 170 A HA 0.558 4.892 4.320 0.023 0.000 0.686 170 A C -0.248 177.451 177.584 0.193 0.000 0.140 170 A CA 0.003 52.111 52.037 0.120 0.000 0.026 170 A CB -1.548 17.535 19.000 0.139 0.000 3.974 170 A HN 2.964 nan 8.150 nan 0.000 0.548 171 A N -0.609 122.344 122.820 0.222 0.000 2.609 171 A HA 0.883 5.217 4.320 0.023 0.000 0.291 171 A C 0.564 178.219 177.584 0.118 0.000 1.096 171 A CA 0.574 52.729 52.037 0.196 0.000 0.684 171 A CB 0.965 20.070 19.000 0.175 0.000 1.282 171 A HN 1.991 nan 8.150 nan 0.000 0.412 172 S N -0.372 115.356 115.700 0.045 0.000 2.503 172 S HA 0.398 4.882 4.470 0.023 0.000 0.215 172 S C 0.793 175.210 174.600 -0.306 0.000 1.003 172 S CA 0.811 58.938 58.200 -0.121 0.000 0.910 172 S CB 0.573 63.839 63.200 0.110 0.000 0.790 172 S HN 1.667 nan 8.310 nan 0.000 0.514 173 A N 0.809 123.565 122.820 -0.106 0.000 3.292 173 A HA 0.507 4.840 4.320 0.023 0.000 0.231 173 A C -0.965 176.649 177.584 0.050 0.000 0.952 173 A CA -0.307 51.680 52.037 -0.083 0.000 1.044 173 A CB 0.084 19.051 19.000 -0.056 0.000 1.236 173 A HN 0.318 nan 8.150 nan 0.000 0.525 174 Y N 1.768 122.023 120.300 -0.074 0.000 2.338 174 Y HA 0.540 5.104 4.550 0.023 0.000 0.328 174 Y C -2.267 173.632 175.900 -0.002 0.000 0.965 174 Y CA -2.273 55.827 58.100 -0.001 0.000 1.208 174 Y CB 2.252 40.752 38.460 0.068 0.000 1.132 174 Y HN 0.259 nan 8.280 nan 0.000 0.469 175 P HA 0.089 nan 4.420 nan 0.000 0.249 175 P C -0.145 176.948 177.300 -0.344 0.000 1.229 175 P CA 0.607 63.528 63.100 -0.298 0.000 0.788 175 P CB 0.487 32.057 31.700 -0.217 0.000 1.072 176 R N -0.089 119.989 120.500 -0.702 0.000 2.856 176 R HA 0.487 4.841 4.340 0.023 0.000 0.258 176 R C 0.459 176.720 176.300 -0.064 0.000 1.066 176 R CA -1.500 54.354 56.100 -0.410 0.000 1.045 176 R CB 0.383 30.431 30.300 -0.421 0.000 1.178 176 R HN 0.023 nan 8.270 nan 0.000 0.499 177 I N 2.009 122.602 120.570 0.039 0.000 2.588 177 I HA 0.066 4.250 4.170 0.023 0.000 0.283 177 I C 0.462 176.693 176.117 0.190 0.000 1.119 177 I CA 0.193 61.525 61.300 0.053 0.000 1.419 177 I CB 0.411 38.274 38.000 -0.229 0.000 1.394 177 I HN 0.242 nan 8.210 nan 0.000 0.562 178 I N 5.662 126.343 120.570 0.186 0.000 2.365 178 I HA 0.094 4.278 4.170 0.023 0.000 0.291 178 I C 0.271 176.131 176.117 -0.428 0.000 1.004 178 I CA -0.241 61.057 61.300 -0.003 0.000 1.311 178 I CB 0.727 38.649 38.000 -0.130 0.000 1.401 178 I HN 0.474 nan 8.210 nan 0.000 0.491 179 D N 6.327 126.665 120.400 -0.103 0.000 2.422 179 D HA 0.141 4.795 4.640 0.023 0.000 0.227 179 D C 0.686 176.925 176.300 -0.103 0.000 1.190 179 D CA 0.019 53.859 54.000 -0.266 0.000 0.905 179 D CB 0.408 40.927 40.800 -0.467 0.000 1.034 179 D HN 0.361 nan 8.370 nan 0.000 0.507 180 F N 1.747 121.695 119.950 -0.003 0.000 2.325 180 F HA -0.051 4.490 4.527 0.023 0.000 0.299 180 F C 2.485 178.116 175.800 -0.282 0.000 1.090 180 F CA 0.389 58.367 58.000 -0.037 0.000 1.392 180 F CB 0.027 38.999 39.000 -0.046 0.000 1.053 180 F HN 0.430 nan 8.300 nan 0.000 0.521 181 A N 0.615 123.107 122.820 -0.547 0.000 1.902 181 A HA -0.190 4.144 4.320 0.023 0.000 0.217 181 A C 2.192 179.696 177.584 -0.134 0.000 1.181 181 A CA 1.518 53.269 52.037 -0.476 0.000 0.623 181 A CB -0.531 18.196 19.000 -0.455 0.000 0.818 181 A HN 0.277 nan 8.150 nan 0.000 0.443 182 K N -1.548 118.741 120.400 -0.186 0.000 2.097 182 K HA -0.085 4.249 4.320 0.023 0.000 0.206 182 K C 1.659 178.204 176.600 -0.092 0.000 1.049 182 K CA 1.435 57.596 56.287 -0.210 0.000 0.933 182 K CB -0.322 31.864 32.500 -0.523 0.000 0.717 182 K HN 0.475 nan 8.250 nan 0.000 0.442 183 F N 1.067 121.035 119.950 0.030 0.000 2.134 183 F HA -0.176 4.366 4.527 0.025 0.000 0.299 183 F C 2.605 178.456 175.800 0.084 0.000 1.097 183 F CA 1.270 59.321 58.000 0.085 0.000 1.264 183 F CB -0.157 38.933 39.000 0.151 0.000 1.001 183 F HN -0.073 nan 8.300 nan 0.000 0.479 184 R N 0.857 121.522 120.500 0.275 0.000 2.092 184 R HA -0.151 4.203 4.340 0.023 0.000 0.231 184 R C 2.025 178.406 176.300 0.136 0.000 1.119 184 R CA 1.693 57.919 56.100 0.210 0.000 0.970 184 R CB -0.737 29.706 30.300 0.239 0.000 0.864 184 R HN 0.372 nan 8.270 nan 0.000 0.440 185 E N -0.257 119.995 120.200 0.086 0.000 2.077 185 E HA -0.176 4.188 4.350 0.023 0.000 0.193 185 E C 1.843 178.461 176.600 0.031 0.000 0.989 185 E CA 1.633 58.058 56.400 0.041 0.000 0.800 185 E CB -0.106 29.593 29.700 -0.003 0.000 0.746 185 E HN 0.415 nan 8.360 nan 0.000 0.452 186 I N 0.596 121.179 120.570 0.021 0.000 2.252 186 I HA -0.219 3.965 4.170 0.023 0.000 0.245 186 I C 2.533 178.682 176.117 0.054 0.000 1.102 186 I CA 0.851 62.158 61.300 0.012 0.000 1.385 186 I CB -0.267 37.708 38.000 -0.041 0.000 1.064 186 I HN 0.132 nan 8.210 nan 0.000 0.414 187 A N 0.611 123.494 122.820 0.105 0.000 1.908 187 A HA -0.256 4.078 4.320 0.023 0.000 0.218 187 A C 1.926 179.560 177.584 0.084 0.000 1.181 187 A CA 2.234 54.346 52.037 0.124 0.000 0.627 187 A CB -0.610 18.511 19.000 0.201 0.000 0.818 187 A HN 0.335 nan 8.150 nan 0.000 0.445 188 D N -0.902 119.546 120.400 0.081 0.000 2.178 188 D HA -0.111 4.543 4.640 0.023 0.000 0.202 188 D C 1.878 178.195 176.300 0.027 0.000 0.974 188 D CA 1.306 55.339 54.000 0.055 0.000 0.841 188 D CB -0.308 40.527 40.800 0.058 0.000 0.953 188 D HN 0.742 nan 8.370 nan 0.000 0.478 189 E N 0.402 120.617 120.200 0.025 0.000 2.110 189 E HA -0.139 4.225 4.350 0.023 0.000 0.193 189 E C 1.692 178.296 176.600 0.007 0.000 0.988 189 E CA 1.138 57.545 56.400 0.011 0.000 0.804 189 E CB 0.297 30.001 29.700 0.006 0.000 0.745 189 E HN 0.231 nan 8.360 nan 0.000 0.458 190 V N -3.489 116.433 119.914 0.012 0.000 3.621 190 V HA 0.439 4.573 4.120 0.023 0.000 0.285 190 V C 1.101 177.191 176.094 -0.006 0.000 1.346 190 V CA 0.417 62.721 62.300 0.006 0.000 1.104 190 V CB 0.106 31.939 31.823 0.017 0.000 0.913 190 V HN 0.281 nan 8.190 nan 0.000 0.432 191 G N 0.429 109.219 108.800 -0.015 0.000 2.198 191 G HA2 -0.055 3.919 3.960 0.023 0.000 0.260 191 G HA3 -0.055 3.919 3.960 0.023 0.000 0.260 191 G C 0.266 175.103 174.900 -0.105 0.000 1.025 191 G CA 0.425 45.491 45.100 -0.058 0.000 0.769 191 G HN 1.666 nan 8.290 nan 0.000 0.507 192 A N -0.705 122.083 122.820 -0.052 0.000 2.303 192 A HA 0.800 5.134 4.320 0.023 0.000 0.317 192 A C 0.147 177.692 177.584 -0.066 0.000 1.149 192 A CA -0.721 51.294 52.037 -0.037 0.000 0.822 192 A CB 0.705 19.736 19.000 0.051 0.000 1.131 192 A HN 0.536 nan 8.150 nan 0.000 0.493 193 Y N 0.051 120.331 120.300 -0.033 0.000 2.457 193 Y HA 0.338 4.902 4.550 0.024 0.000 0.341 193 Y C 0.310 176.320 175.900 0.183 0.000 1.240 193 Y CA 0.429 58.478 58.100 -0.084 0.000 1.437 193 Y CB 0.591 38.999 38.460 -0.087 0.000 1.328 193 Y HN 0.555 nan 8.280 nan 0.000 0.588 194 L N 4.480 126.061 121.223 0.596 0.000 2.333 194 L HA 0.516 4.870 4.340 0.023 0.000 0.280 194 L C -0.960 176.107 176.870 0.328 0.000 1.004 194 L CA -0.840 54.231 54.840 0.384 0.000 0.820 194 L CB 1.260 43.503 42.059 0.306 0.000 1.247 194 L HN 0.722 nan 8.230 nan 0.000 0.416 195 M N 5.672 125.407 119.600 0.224 0.000 2.227 195 M HA 0.578 5.072 4.480 0.023 0.000 0.335 195 M C -1.683 174.628 176.300 0.018 0.000 1.053 195 M CA -0.658 54.737 55.300 0.158 0.000 0.973 195 M CB 1.525 34.207 32.600 0.136 0.000 1.623 195 M HN 0.430 nan 8.290 nan 0.000 0.434 196 V N 4.307 124.192 119.914 -0.048 0.000 2.370 196 V HA 0.258 4.392 4.120 0.023 0.000 0.283 196 V C -0.508 175.518 176.094 -0.114 0.000 1.023 196 V CA -0.605 61.612 62.300 -0.140 0.000 0.857 196 V CB 1.537 33.152 31.823 -0.347 0.000 0.985 196 V HN 0.728 nan 8.190 nan 0.000 0.443 197 D N 5.799 126.159 120.400 -0.066 0.000 2.479 197 D HA 0.229 4.883 4.640 0.023 0.000 0.218 197 D C 0.803 177.102 176.300 -0.002 0.000 1.131 197 D CA -0.442 53.552 54.000 -0.009 0.000 0.916 197 D CB 1.083 41.960 40.800 0.129 0.000 1.022 197 D HN 0.617 nan 8.370 nan 0.000 0.515 198 M N 1.512 121.063 119.600 -0.082 0.000 2.530 198 M HA 0.345 4.839 4.480 0.023 0.000 0.231 198 M C 1.350 177.607 176.300 -0.072 0.000 1.180 198 M CA -0.336 54.916 55.300 -0.080 0.000 0.985 198 M CB 0.643 33.139 32.600 -0.173 0.000 1.623 198 M HN 0.124 nan 8.290 nan 0.000 0.475 199 A N 1.109 123.889 122.820 -0.068 0.000 1.903 199 A HA -0.232 4.102 4.320 0.023 0.000 0.219 199 A C 2.086 179.575 177.584 -0.158 0.000 1.191 199 A CA 2.045 53.998 52.037 -0.139 0.000 0.638 199 A CB -1.276 17.617 19.000 -0.178 0.000 0.823 199 A HN 0.755 nan 8.150 nan 0.000 0.451 200 H N -0.577 118.444 119.070 -0.081 0.000 2.395 200 H HA -0.005 4.566 4.556 0.026 0.000 0.299 200 H C 1.917 177.104 175.328 -0.234 0.000 1.070 200 H CA 1.757 57.760 56.048 -0.075 0.000 1.356 200 H CB 0.021 29.872 29.762 0.148 0.000 1.401 200 H HN 0.717 nan 8.280 nan 0.000 0.524 201 I N -2.479 118.084 120.570 -0.011 0.000 3.956 201 I HA 0.321 4.505 4.170 0.023 0.000 0.333 201 I C 2.320 178.434 176.117 -0.005 0.000 1.302 201 I CA 0.288 61.553 61.300 -0.059 0.000 1.122 201 I CB 0.121 38.043 38.000 -0.130 0.000 1.013 201 I HN -0.096 nan 8.210 nan 0.000 0.405 202 A N 2.250 125.068 122.820 -0.003 0.000 1.948 202 A HA -0.105 4.229 4.320 0.023 0.000 0.220 202 A C 2.368 180.142 177.584 0.315 0.000 1.177 202 A CA 2.107 54.201 52.037 0.095 0.000 0.636 202 A CB -1.482 17.519 19.000 0.001 0.000 0.815 202 A HN 0.541 nan 8.150 nan 0.000 0.449 203 G N -0.295 108.663 108.800 0.263 0.000 2.408 203 G HA2 -0.101 3.873 3.960 0.023 0.000 0.217 203 G HA3 -0.101 3.873 3.960 0.023 0.000 0.217 203 G C 1.512 176.610 174.900 0.331 0.000 1.150 203 G CA 1.001 46.358 45.100 0.428 0.000 0.776 203 G HN 0.474 nan 8.290 nan 0.000 0.542 204 L N 0.287 121.622 121.223 0.188 0.000 2.109 204 L HA -0.016 4.338 4.340 0.023 0.000 0.207 204 L C 2.889 179.902 176.870 0.239 0.000 1.086 204 L CA 0.194 55.134 54.840 0.166 0.000 0.760 204 L CB -0.654 41.500 42.059 0.158 0.000 0.910 204 L HN 0.041 nan 8.230 nan 0.000 0.437 205 V N 0.655 120.743 119.914 0.289 0.000 2.295 205 V HA -0.293 3.841 4.120 0.023 0.000 0.246 205 V C 2.888 179.164 176.094 0.303 0.000 1.049 205 V CA 1.901 64.405 62.300 0.341 0.000 1.024 205 V CB -0.917 31.123 31.823 0.361 0.000 0.648 205 V HN 0.478 nan 8.190 nan 0.000 0.447 206 A N -0.065 122.935 122.820 0.300 0.000 1.940 206 A HA -0.121 4.213 4.320 0.023 0.000 0.219 206 A C 2.236 179.873 177.584 0.089 0.000 1.176 206 A CA 2.132 54.164 52.037 -0.008 0.000 0.631 206 A CB -0.622 18.311 19.000 -0.111 0.000 0.814 206 A HN 0.624 nan 8.150 nan 0.000 0.446 207 A N -2.034 120.904 122.820 0.196 0.000 2.251 207 A HA 0.425 4.759 4.320 0.023 0.000 0.209 207 A C 1.695 179.345 177.584 0.110 0.000 1.187 207 A CA 1.142 53.273 52.037 0.157 0.000 0.823 207 A CB -0.842 18.233 19.000 0.125 0.000 0.846 207 A HN 1.950 nan 8.150 nan 0.000 0.486 208 G N -1.067 107.811 108.800 0.129 0.000 2.160 208 G HA2 -0.221 3.753 3.960 0.023 0.000 0.244 208 G HA3 -0.221 3.753 3.960 0.023 0.000 0.244 208 G C 0.473 175.441 174.900 0.112 0.000 1.022 208 G CA 0.484 45.655 45.100 0.119 0.000 0.741 208 G HN 0.503 nan 8.290 nan 0.000 0.508 209 L N -0.683 120.621 121.223 0.134 0.000 2.638 209 L HA 0.381 4.735 4.340 0.023 0.000 0.232 209 L C 1.015 177.981 176.870 0.160 0.000 1.099 209 L CA -0.211 54.696 54.840 0.112 0.000 0.883 209 L CB 0.307 42.415 42.059 0.080 0.000 1.136 209 L HN 0.390 nan 8.230 nan 0.000 0.492 210 H N 0.730 119.880 119.070 0.133 0.000 2.637 210 H HA 0.364 4.934 4.556 0.024 0.000 0.363 210 H C -2.540 172.913 175.328 0.209 0.000 1.131 210 H CA -2.034 54.114 56.048 0.166 0.000 1.183 210 H CB 2.520 32.406 29.762 0.207 0.000 1.637 210 H HN -0.248 nan 8.280 nan 0.000 0.531 211 P HA -0.103 nan 4.420 nan 0.000 0.263 211 P C -0.270 177.405 177.300 0.626 0.000 1.175 211 P CA 0.322 63.622 63.100 0.333 0.000 0.761 211 P CB 0.440 32.245 31.700 0.175 0.000 0.794 212 N N 4.425 123.396 118.700 0.452 0.000 2.430 212 N HA 0.104 4.858 4.740 0.023 0.000 0.265 212 N C -1.500 174.191 175.510 0.302 0.000 1.100 212 N CA -2.276 50.979 53.050 0.341 0.000 0.961 212 N CB 0.417 39.050 38.487 0.242 0.000 1.075 212 N HN 0.216 nan 8.380 nan 0.000 0.478 213 P HA -0.066 nan 4.420 nan 0.000 0.229 213 P C 1.326 178.556 177.300 -0.116 0.000 1.160 213 P CA 0.369 63.207 63.100 -0.435 0.000 0.777 213 P CB 0.496 31.508 31.700 -1.147 0.000 0.814 214 V N 1.951 121.816 119.914 -0.080 0.000 2.278 214 V HA -0.173 3.961 4.120 0.023 0.000 0.251 214 V C -0.322 175.708 176.094 -0.107 0.000 1.062 214 V CA 2.627 64.881 62.300 -0.077 0.000 1.038 214 V CB -2.514 29.294 31.823 -0.025 0.000 0.646 214 V HN 0.222 nan 8.190 nan 0.000 0.447 215 P HA -0.050 nan 4.420 nan 0.000 0.237 215 P C 0.619 177.616 177.300 -0.505 0.000 1.178 215 P CA 1.222 64.102 63.100 -0.367 0.000 0.766 215 P CB -0.058 31.329 31.700 -0.522 0.000 0.876 216 Y N -1.161 119.111 120.300 -0.047 0.000 2.535 216 Y HA 0.454 5.018 4.550 0.023 0.000 0.264 216 Y C 1.298 177.127 175.900 -0.117 0.000 1.087 216 Y CA -0.364 57.714 58.100 -0.036 0.000 1.285 216 Y CB -0.315 38.197 38.460 0.086 0.000 1.200 216 Y HN -0.227 nan 8.280 nan 0.000 0.514 217 A N -0.252 122.557 122.820 -0.018 0.000 2.301 217 A HA 0.370 4.704 4.320 0.023 0.000 0.312 217 A C -0.074 177.385 177.584 -0.209 0.000 1.182 217 A CA -0.398 51.587 52.037 -0.086 0.000 0.826 217 A CB 0.214 19.172 19.000 -0.070 0.000 1.134 217 A HN 0.480 nan 8.150 nan 0.000 0.501 218 H N 1.184 120.162 119.070 -0.152 0.000 2.387 218 H HA 0.034 4.604 4.556 0.023 0.000 0.299 218 H C -0.627 174.135 175.328 -0.944 0.000 1.090 218 H CA 2.200 57.934 56.048 -0.524 0.000 1.332 218 H CB -0.106 29.197 29.762 -0.765 0.000 1.386 218 H HN 0.588 nan 8.280 nan 0.000 0.516 219 F N -0.567 119.380 119.950 -0.006 0.000 2.547 219 F HA 0.464 5.005 4.527 0.023 0.000 0.316 219 F C -0.826 174.919 175.800 -0.092 0.000 1.121 219 F CA -1.176 56.779 58.000 -0.075 0.000 0.911 219 F CB 1.846 40.761 39.000 -0.142 0.000 1.179 219 F HN -0.335 nan 8.300 nan 0.000 0.443 220 V N 2.115 122.055 119.914 0.044 0.000 2.409 220 V HA 0.546 4.680 4.120 0.023 0.000 0.291 220 V C -0.164 175.882 176.094 -0.079 0.000 1.020 220 V CA -0.652 61.601 62.300 -0.078 0.000 0.848 220 V CB 1.859 33.574 31.823 -0.179 0.000 0.990 220 V HN 0.897 nan 8.190 nan 0.000 0.430 221 T N 1.077 115.578 114.554 -0.088 0.000 2.945 221 T HA 0.829 5.193 4.350 0.023 0.000 0.286 221 T C -0.272 174.352 174.700 -0.126 0.000 1.025 221 T CA -0.651 61.394 62.100 -0.092 0.000 1.039 221 T CB 2.128 70.951 68.868 -0.075 0.000 1.068 221 T HN 0.710 nan 8.240 nan 0.000 0.497 222 T N 0.428 114.910 114.554 -0.120 0.000 2.786 222 T HA 0.575 4.939 4.350 0.023 0.000 0.316 222 T C -0.704 173.927 174.700 -0.115 0.000 1.503 222 T CA -0.415 61.601 62.100 -0.141 0.000 1.019 222 T CB 1.320 70.064 68.868 -0.206 0.000 1.415 222 T HN 1.177 nan 8.240 nan 0.000 0.496 223 T N 0.139 114.587 114.554 -0.176 0.000 2.918 223 T HA 0.470 4.833 4.350 0.023 0.000 0.283 223 T C 1.486 176.100 174.700 -0.143 0.000 1.001 223 T CA 0.166 62.134 62.100 -0.221 0.000 1.041 223 T CB 1.069 69.576 68.868 -0.601 0.000 1.028 223 T HN 0.761 nan 8.240 nan 0.000 0.511 224 T N -2.184 112.357 114.554 -0.022 0.000 3.051 224 T HA 0.051 4.415 4.350 0.023 0.000 0.255 224 T C 1.215 175.954 174.700 0.066 0.000 1.085 224 T CA 0.202 62.354 62.100 0.086 0.000 1.109 224 T CB -0.530 68.400 68.868 0.103 0.000 0.921 224 T HN 0.882 nan 8.240 nan 0.000 0.488 225 H N 1.751 120.812 119.070 -0.015 0.000 2.136 225 H HA 0.469 5.041 4.556 0.026 0.000 0.311 225 H C 0.760 176.063 175.328 -0.043 0.000 1.737 225 H CA -0.215 55.813 56.048 -0.032 0.000 1.439 225 H CB 0.021 29.749 29.762 -0.056 0.000 1.733 225 H HN 0.172 nan 8.280 nan 0.000 0.637 226 K N -2.089 118.279 120.400 -0.054 0.000 2.147 226 K HA -0.240 4.094 4.320 0.023 0.000 0.295 226 K C 1.517 178.096 176.600 -0.035 0.000 1.670 226 K CA 1.577 57.778 56.287 -0.145 0.000 0.554 226 K CB -1.773 30.501 32.500 -0.376 0.000 0.875 226 K HN 0.851 nan 8.250 nan 0.000 0.734 227 T N -0.160 114.348 114.554 -0.076 0.000 3.007 227 T HA -0.059 4.305 4.350 0.023 0.000 0.270 227 T C 1.625 176.499 174.700 0.290 0.000 1.107 227 T CA 1.451 63.580 62.100 0.048 0.000 1.118 227 T CB 0.013 68.810 68.868 -0.119 0.000 0.889 227 T HN 0.332 nan 8.240 nan 0.000 0.506 228 L N 1.024 122.387 121.223 0.233 0.000 2.478 228 L HA 0.396 4.750 4.340 0.023 0.000 0.223 228 L C 1.546 178.573 176.870 0.262 0.000 1.140 228 L CA 0.776 55.806 54.840 0.316 0.000 0.842 228 L CB -1.084 41.116 42.059 0.235 0.000 0.953 228 L HN 0.395 nan 8.230 nan 0.000 0.452 229 R N -0.944 119.689 120.500 0.221 0.000 3.525 229 R HA -0.160 4.194 4.340 0.023 0.000 0.276 229 R C 0.465 176.806 176.300 0.068 0.000 1.116 229 R CA 0.446 56.640 56.100 0.156 0.000 0.745 229 R CB -1.693 28.733 30.300 0.210 0.000 1.185 229 R HN 0.561 nan 8.270 nan 0.000 0.454 230 G N 0.043 108.877 108.800 0.057 0.000 2.795 230 G HA2 0.686 4.660 3.960 0.023 0.000 0.267 230 G HA3 0.686 4.660 3.960 0.023 0.000 0.267 230 G C -2.573 172.336 174.900 0.014 0.000 1.362 230 G CA -0.961 44.133 45.100 -0.009 0.000 1.048 230 G HN 0.119 nan 8.290 nan 0.000 0.547 231 P HA 0.190 nan 4.420 nan 0.000 0.274 231 P C -0.633 176.674 177.300 0.012 0.000 1.256 231 P CA -0.525 62.554 63.100 -0.035 0.000 0.795 231 P CB 1.029 32.678 31.700 -0.084 0.000 1.038 232 R N 0.161 120.616 120.500 -0.076 0.000 2.296 232 R HA 0.525 4.879 4.340 0.023 0.000 0.323 232 R C 0.293 176.583 176.300 -0.017 0.000 1.067 232 R CA 0.508 56.503 56.100 -0.176 0.000 0.946 232 R CB -0.593 29.500 30.300 -0.344 0.000 0.991 232 R HN 0.847 nan 8.270 nan 0.000 0.448 233 G N 1.309 110.201 108.800 0.154 0.000 2.320 233 G HA2 0.390 4.364 3.960 0.023 0.000 0.296 233 G HA3 0.390 4.364 3.960 0.023 0.000 0.296 233 G C -1.292 173.683 174.900 0.125 0.000 1.306 233 G CA -0.430 44.734 45.100 0.107 0.000 0.836 233 G HN 0.740 nan 8.290 nan 0.000 0.517 234 G N -1.325 107.517 108.800 0.071 0.000 2.568 234 G HA2 0.800 4.774 3.960 0.023 0.000 0.313 234 G HA3 0.800 4.774 3.960 0.023 0.000 0.313 234 G C -0.743 174.183 174.900 0.042 0.000 1.227 234 G CA -0.498 44.627 45.100 0.041 0.000 0.979 234 G HN 1.082 nan 8.290 nan 0.000 0.486 235 M N 0.030 119.642 119.600 0.020 0.000 2.465 235 M HA 0.602 5.096 4.480 0.023 0.000 0.284 235 M C -2.029 174.258 176.300 -0.021 0.000 1.212 235 M CA -0.652 54.662 55.300 0.024 0.000 0.910 235 M CB 2.247 34.888 32.600 0.069 0.000 1.725 235 M HN 0.389 nan 8.290 nan 0.000 0.477 236 I N 4.702 125.269 120.570 -0.005 0.000 2.433 236 I HA 0.480 4.664 4.170 0.023 0.000 0.292 236 I C -1.254 174.865 176.117 0.003 0.000 1.001 236 I CA -0.685 60.616 61.300 0.003 0.000 1.119 236 I CB 1.903 39.932 38.000 0.049 0.000 1.289 236 I HN 0.590 nan 8.210 nan 0.000 0.438 237 L N 6.293 127.507 121.223 -0.016 0.000 2.334 237 L HA 0.789 5.143 4.340 0.023 0.000 0.276 237 L C -0.521 176.393 176.870 0.074 0.000 1.014 237 L CA -0.605 54.232 54.840 -0.006 0.000 0.815 237 L CB 1.855 43.853 42.059 -0.101 0.000 1.268 237 L HN 0.802 nan 8.230 nan 0.000 0.428 238 C N -0.228 119.149 119.300 0.128 0.000 3.321 238 C HA 0.448 4.922 4.460 0.023 0.000 0.329 238 C C -0.606 174.477 174.990 0.154 0.000 1.394 238 C CA -1.084 58.022 59.018 0.145 0.000 1.291 238 C CB 1.606 29.510 27.740 0.273 0.000 1.606 238 C HN 0.886 nan 8.230 nan 0.000 0.463 239 Q N 0.810 120.704 119.800 0.157 0.000 2.454 239 Q HA 0.136 4.490 4.340 0.023 0.000 0.247 239 Q C 1.036 177.071 176.000 0.059 0.000 1.028 239 Q CA 0.073 55.932 55.803 0.094 0.000 0.910 239 Q CB 1.008 29.784 28.738 0.063 0.000 1.276 239 Q HN 0.872 nan 8.270 nan 0.000 0.489 240 E N 1.103 121.297 120.200 -0.011 0.000 2.171 240 E HA -0.267 4.097 4.350 0.023 0.000 0.197 240 E C 1.787 178.304 176.600 -0.139 0.000 0.997 240 E CA 1.366 57.732 56.400 -0.056 0.000 0.810 240 E CB 0.217 29.888 29.700 -0.048 0.000 0.738 240 E HN 0.602 nan 8.360 nan 0.000 0.467 241 Q N -0.621 119.036 119.800 -0.238 0.000 2.369 241 Q HA -0.140 4.214 4.340 0.023 0.000 0.206 241 Q C 1.150 176.898 176.000 -0.419 0.000 0.963 241 Q CA 1.052 56.630 55.803 -0.374 0.000 0.894 241 Q CB -0.178 28.253 28.738 -0.512 0.000 0.965 241 Q HN 0.342 nan 8.270 nan 0.000 0.475 242 F N 0.617 120.557 119.950 -0.017 0.000 2.721 242 F HA 0.428 4.968 4.527 0.023 0.000 0.301 242 F C 2.289 178.080 175.800 -0.015 0.000 1.096 242 F CA -0.064 57.964 58.000 0.046 0.000 1.308 242 F CB -0.190 38.895 39.000 0.142 0.000 1.086 242 F HN 0.098 nan 8.300 nan 0.000 0.587 243 A N 0.689 123.476 122.820 -0.054 0.000 1.892 243 A HA -0.279 4.055 4.320 0.023 0.000 0.218 243 A C 2.377 179.775 177.584 -0.310 0.000 1.188 243 A CA 2.162 53.926 52.037 -0.455 0.000 0.631 243 A CB -0.629 17.858 19.000 -0.854 0.000 0.822 243 A HN 0.347 nan 8.150 nan 0.000 0.447 244 K N -0.712 119.593 120.400 -0.159 0.000 2.025 244 K HA -0.175 4.159 4.320 0.023 0.000 0.207 244 K C 2.258 178.859 176.600 0.001 0.000 1.049 244 K CA 1.588 57.824 56.287 -0.084 0.000 0.933 244 K CB -0.209 32.263 32.500 -0.047 0.000 0.714 244 K HN 0.638 nan 8.250 nan 0.000 0.438 245 Q N 0.268 120.102 119.800 0.058 0.000 2.119 245 Q HA -0.101 4.253 4.340 0.023 0.000 0.201 245 Q C 2.088 178.155 176.000 0.111 0.000 0.972 245 Q CA 1.039 56.901 55.803 0.098 0.000 0.847 245 Q CB 0.050 28.868 28.738 0.134 0.000 0.903 245 Q HN 0.308 nan 8.270 nan 0.000 0.433 246 I N 1.219 121.864 120.570 0.125 0.000 2.252 246 I HA -0.225 3.959 4.170 0.023 0.000 0.245 246 I C 1.434 177.630 176.117 0.131 0.000 1.102 246 I CA 1.363 62.740 61.300 0.129 0.000 1.385 246 I CB -0.816 37.304 38.000 0.200 0.000 1.064 246 I HN 0.206 nan 8.210 nan 0.000 0.414 247 D N 0.878 121.323 120.400 0.075 0.000 2.117 247 D HA -0.153 4.501 4.640 0.023 0.000 0.198 247 D C 2.215 178.667 176.300 0.253 0.000 0.982 247 D CA 1.114 55.133 54.000 0.033 0.000 0.828 247 D CB -0.056 40.514 40.800 -0.383 0.000 0.967 247 D HN 0.290 nan 8.370 nan 0.000 0.464 248 K N 0.314 120.819 120.400 0.174 0.000 2.155 248 K HA 0.041 4.375 4.320 0.023 0.000 0.203 248 K C 2.026 178.727 176.600 0.168 0.000 1.052 248 K CA 0.861 57.255 56.287 0.178 0.000 0.948 248 K CB 0.054 32.629 32.500 0.124 0.000 0.728 248 K HN 0.010 nan 8.250 nan 0.000 0.448 249 A N 1.400 124.335 122.820 0.191 0.000 1.930 249 A HA -0.124 4.210 4.320 0.023 0.000 0.217 249 A C 2.004 179.621 177.584 0.055 0.000 1.175 249 A CA 1.036 53.201 52.037 0.214 0.000 0.627 249 A CB -0.304 18.853 19.000 0.261 0.000 0.815 249 A HN 0.074 nan 8.150 nan 0.000 0.443 250 I N -2.437 118.210 120.570 0.129 0.000 2.163 250 I HA 0.022 4.206 4.170 0.023 0.000 0.240 250 I C 0.621 176.847 176.117 0.183 0.000 1.081 250 I CA 1.341 62.716 61.300 0.125 0.000 1.353 250 I CB -0.632 37.492 38.000 0.207 0.000 1.054 250 I HN 0.349 nan 8.210 nan 0.000 0.407 251 F N 2.350 122.372 119.950 0.119 0.000 2.588 251 F HA 0.420 4.963 4.527 0.026 0.000 0.314 251 F C -2.248 173.636 175.800 0.140 0.000 1.134 251 F CA -1.962 56.077 58.000 0.065 0.000 0.961 251 F CB 1.981 40.970 39.000 -0.019 0.000 1.239 251 F HN -0.234 nan 8.300 nan 0.000 0.448 252 P HA 0.172 nan 4.420 nan 0.000 0.255 252 P C 0.914 177.979 177.300 -0.391 0.000 1.357 252 P CA 0.536 62.973 63.100 -1.105 0.000 0.839 252 P CB 0.252 31.334 31.700 -1.031 0.000 1.356 253 G N 2.280 110.956 108.800 -0.208 0.000 2.575 253 G HA2 -0.192 3.782 3.960 0.023 0.000 0.215 253 G HA3 -0.192 3.782 3.960 0.023 0.000 0.215 253 G C 1.273 175.883 174.900 -0.482 0.000 1.262 253 G CA 1.061 45.993 45.100 -0.280 0.000 0.807 253 G HN 0.433 nan 8.290 nan 0.000 0.567 254 I N -3.314 117.027 120.570 -0.381 0.000 4.288 254 I HA 0.426 4.610 4.170 0.023 0.000 0.331 254 I C 0.583 176.626 176.117 -0.123 0.000 1.322 254 I CA -0.190 60.909 61.300 -0.336 0.000 1.149 254 I CB 0.508 38.273 38.000 -0.391 0.000 1.112 254 I HN 0.076 nan 8.210 nan 0.000 0.403 255 Q N 0.938 120.727 119.800 -0.018 0.000 2.495 255 Q HA 0.641 4.995 4.340 0.023 0.000 0.283 255 Q C -0.063 176.090 176.000 0.255 0.000 1.097 255 Q CA -0.451 55.402 55.803 0.084 0.000 0.836 255 Q CB 2.330 31.047 28.738 -0.035 0.000 1.426 255 Q HN 0.255 nan 8.270 nan 0.000 0.459 256 G N -0.366 108.585 108.800 0.250 0.000 3.345 256 G HA2 0.444 4.418 3.960 0.023 0.000 0.202 256 G HA3 0.444 4.418 3.960 0.023 0.000 0.202 256 G C -0.227 174.692 174.900 0.031 0.000 1.740 256 G CA -0.127 45.139 45.100 0.276 0.000 0.806 256 G HN 0.572 nan 8.290 nan 0.000 0.718 257 G N 2.017 110.908 108.800 0.152 0.000 2.365 257 G HA2 0.484 4.458 3.960 0.023 0.000 0.249 257 G HA3 0.484 4.458 3.960 0.023 0.000 0.249 257 G C -2.030 172.869 174.900 -0.002 0.000 1.288 257 G CA -0.329 44.808 45.100 0.061 0.000 0.887 257 G HN 0.371 nan 8.290 nan 0.000 0.524 258 P HA 0.182 nan 4.420 nan 0.000 0.274 258 P C -0.195 177.102 177.300 -0.004 0.000 1.246 258 P CA -0.473 62.605 63.100 -0.037 0.000 0.795 258 P CB 1.193 32.824 31.700 -0.116 0.000 1.006 259 L N 2.071 123.309 121.223 0.024 0.000 2.302 259 L HA 0.180 4.534 4.340 0.023 0.000 0.285 259 L C 1.795 178.565 176.870 -0.167 0.000 1.090 259 L CA -0.537 54.246 54.840 -0.095 0.000 0.866 259 L CB 0.034 41.958 42.059 -0.225 0.000 1.244 259 L HN 0.211 nan 8.230 nan 0.000 0.435 260 M N 1.030 120.615 119.600 -0.024 0.000 2.229 260 M HA -0.133 4.361 4.480 0.023 0.000 0.264 260 M C 2.178 178.477 176.300 -0.001 0.000 1.063 260 M CA 1.689 56.984 55.300 -0.008 0.000 1.114 260 M CB -1.090 31.521 32.600 0.019 0.000 1.387 260 M HN 0.712 nan 8.290 nan 0.000 0.420 261 H N -1.700 117.336 119.070 -0.056 0.000 2.423 261 H HA 0.034 4.594 4.556 0.007 0.000 0.297 261 H C 1.854 177.150 175.328 -0.053 0.000 1.075 261 H CA 1.095 57.112 56.048 -0.053 0.000 1.342 261 H CB -0.755 28.973 29.762 -0.057 0.000 1.395 261 H HN 0.139 nan 8.280 nan 0.000 0.530 262 V N 1.043 120.650 119.914 -0.510 0.000 2.488 262 V HA -0.132 4.002 4.120 0.023 0.000 0.246 262 V C 2.475 178.450 176.094 -0.198 0.000 1.046 262 V CA 1.336 63.439 62.300 -0.329 0.000 1.053 262 V CB -0.398 31.210 31.823 -0.359 0.000 0.679 262 V HN 0.404 nan 8.190 nan 0.000 0.458 263 I N 0.839 121.311 120.570 -0.164 0.000 2.226 263 I HA -0.254 3.930 4.170 0.023 0.000 0.245 263 I C 2.708 178.761 176.117 -0.106 0.000 1.100 263 I CA 1.471 62.708 61.300 -0.105 0.000 1.374 263 I CB -0.551 37.417 38.000 -0.053 0.000 1.057 263 I HN 0.296 nan 8.210 nan 0.000 0.413 264 A N 0.838 123.610 122.820 -0.080 0.000 1.883 264 A HA -0.232 4.102 4.320 0.023 0.000 0.217 264 A C 2.542 180.061 177.584 -0.109 0.000 1.186 264 A CA 2.099 54.098 52.037 -0.064 0.000 0.624 264 A CB -0.924 18.063 19.000 -0.022 0.000 0.822 264 A HN 0.443 nan 8.150 nan 0.000 0.444 265 A N -0.551 122.195 122.820 -0.123 0.000 1.972 265 A HA -0.139 4.195 4.320 0.023 0.000 0.219 265 A C 2.090 179.519 177.584 -0.257 0.000 1.169 265 A CA 1.790 53.739 52.037 -0.147 0.000 0.635 265 A CB -0.395 18.537 19.000 -0.114 0.000 0.810 265 A HN 0.572 nan 8.150 nan 0.000 0.446 266 K N -0.269 119.928 120.400 -0.339 0.000 2.026 266 K HA -0.080 4.254 4.320 0.023 0.000 0.208 266 K C 2.345 178.345 176.600 -1.000 0.000 1.048 266 K CA 1.182 57.055 56.287 -0.690 0.000 0.929 266 K CB -0.354 31.821 32.500 -0.541 0.000 0.713 266 K HN 0.429 nan 8.250 nan 0.000 0.439 267 A N 1.054 123.587 122.820 -0.478 0.000 1.908 267 A HA -0.147 4.187 4.320 0.023 0.000 0.218 267 A C 2.377 179.857 177.584 -0.173 0.000 1.181 267 A CA 1.606 53.513 52.037 -0.217 0.000 0.627 267 A CB -0.731 18.235 19.000 -0.056 0.000 0.818 267 A HN 0.085 nan 8.150 nan 0.000 0.445 268 V N -0.196 119.608 119.914 -0.184 0.000 2.295 268 V HA -0.249 3.885 4.120 0.023 0.000 0.246 268 V C 3.059 179.065 176.094 -0.146 0.000 1.049 268 V CA 1.971 64.197 62.300 -0.124 0.000 1.024 268 V CB -1.335 30.429 31.823 -0.099 0.000 0.648 268 V HN 0.617 nan 8.190 nan 0.000 0.447 269 A N -0.519 122.156 122.820 -0.242 0.000 1.940 269 A HA -0.180 4.154 4.320 0.023 0.000 0.219 269 A C 2.126 179.635 177.584 -0.125 0.000 1.176 269 A CA 1.839 53.746 52.037 -0.217 0.000 0.631 269 A CB -0.734 18.109 19.000 -0.262 0.000 0.814 269 A HN 0.557 nan 8.150 nan 0.000 0.446 270 F N -0.176 119.701 119.950 -0.123 0.000 2.163 270 F HA -0.041 4.508 4.527 0.036 0.000 0.297 270 F C 2.730 178.432 175.800 -0.164 0.000 1.094 270 F CA 0.241 58.151 58.000 -0.150 0.000 1.290 270 F CB -0.550 38.399 39.000 -0.084 0.000 1.017 270 F HN 0.359 nan 8.300 nan 0.000 0.483 271 G N 0.314 109.149 108.800 0.058 0.000 2.440 271 G HA2 -0.255 3.719 3.960 0.023 0.000 0.218 271 G HA3 -0.255 3.719 3.960 0.023 0.000 0.218 271 G C 1.381 176.257 174.900 -0.040 0.000 1.154 271 G CA 0.954 46.055 45.100 0.001 0.000 0.767 271 G HN 0.349 nan 8.290 nan 0.000 0.552 272 E N 0.388 120.542 120.200 -0.076 0.000 2.106 272 E HA 0.023 4.387 4.350 0.023 0.000 0.192 272 E C 2.853 179.335 176.600 -0.196 0.000 0.984 272 E CA 0.682 57.026 56.400 -0.093 0.000 0.806 272 E CB -0.141 29.504 29.700 -0.091 0.000 0.750 272 E HN 0.432 nan 8.360 nan 0.000 0.458 273 A N 0.765 123.339 122.820 -0.410 0.000 2.014 273 A HA -0.065 4.269 4.320 0.023 0.000 0.218 273 A C 2.045 179.480 177.584 -0.249 0.000 1.163 273 A CA 0.686 52.275 52.037 -0.746 0.000 0.652 273 A CB -0.309 18.214 19.000 -0.795 0.000 0.808 273 A HN 0.127 nan 8.150 nan 0.000 0.449 274 L N -0.654 120.486 121.223 -0.138 0.000 2.395 274 L HA -0.044 4.310 4.340 0.023 0.000 0.218 274 L C 1.122 177.993 176.870 0.002 0.000 1.130 274 L CA 0.185 54.985 54.840 -0.066 0.000 0.826 274 L CB -0.275 41.749 42.059 -0.059 0.000 0.941 274 L HN 0.449 nan 8.230 nan 0.000 0.451 275 Q N -0.145 119.671 119.800 0.027 0.000 2.417 275 Q HA -0.033 4.321 4.340 0.023 0.000 0.241 275 Q C 0.562 176.631 176.000 0.115 0.000 1.008 275 Q CA -0.374 55.467 55.803 0.064 0.000 0.901 275 Q CB 0.899 29.674 28.738 0.063 0.000 1.259 275 Q HN 0.035 nan 8.270 nan 0.000 0.489 276 D N 1.030 121.486 120.400 0.093 0.000 2.144 276 D HA -0.159 4.495 4.640 0.023 0.000 0.200 276 D C 1.155 177.529 176.300 0.124 0.000 0.978 276 D CA 1.333 55.391 54.000 0.097 0.000 0.833 276 D CB -0.041 40.799 40.800 0.066 0.000 0.961 276 D HN 0.622 nan 8.370 nan 0.000 0.470 277 D N -0.019 120.460 120.400 0.131 0.000 2.224 277 D HA -0.174 4.480 4.640 0.023 0.000 0.205 277 D C 1.948 178.368 176.300 0.200 0.000 0.965 277 D CA 0.266 54.348 54.000 0.137 0.000 0.852 277 D CB -1.030 39.836 40.800 0.110 0.000 0.947 277 D HN 0.238 nan 8.370 nan 0.000 0.494 278 F N 1.686 121.697 119.950 0.102 0.000 2.234 278 F HA -0.051 4.489 4.527 0.023 0.000 0.299 278 F C 1.942 177.864 175.800 0.203 0.000 1.087 278 F CA 1.039 59.139 58.000 0.167 0.000 1.340 278 F CB 0.108 39.171 39.000 0.106 0.000 1.031 278 F HN -0.227 nan 8.300 nan 0.000 0.500 279 K N 0.611 121.146 120.400 0.226 0.000 2.057 279 K HA -0.120 4.214 4.320 0.023 0.000 0.207 279 K C 2.310 178.917 176.600 0.012 0.000 1.049 279 K CA 1.301 57.650 56.287 0.103 0.000 0.931 279 K CB -1.136 31.433 32.500 0.116 0.000 0.714 279 K HN 0.368 nan 8.250 nan 0.000 0.440 280 A N 1.024 123.871 122.820 0.046 0.000 1.898 280 A HA -0.191 4.143 4.320 0.023 0.000 0.216 280 A C 2.190 179.776 177.584 0.004 0.000 1.181 280 A CA 1.315 53.370 52.037 0.029 0.000 0.620 280 A CB -0.778 18.257 19.000 0.058 0.000 0.819 280 A HN 0.403 nan 8.150 nan 0.000 0.442 281 Y N 0.874 121.106 120.300 -0.114 0.000 2.097 281 Y HA -0.170 4.397 4.550 0.028 0.000 0.282 281 Y C 2.547 178.313 175.900 -0.224 0.000 1.152 281 Y CA 1.611 59.611 58.100 -0.167 0.000 1.136 281 Y CB -0.726 37.594 38.460 -0.234 0.000 0.975 281 Y HN 0.275 nan 8.280 nan 0.000 0.498 282 A N 0.380 122.838 122.820 -0.603 0.000 1.972 282 A HA -0.189 4.145 4.320 0.023 0.000 0.219 282 A C 2.331 179.710 177.584 -0.342 0.000 1.169 282 A CA 1.803 53.460 52.037 -0.633 0.000 0.635 282 A CB -0.792 17.950 19.000 -0.430 0.000 0.810 282 A HN 0.577 nan 8.150 nan 0.000 0.446 283 K N -0.367 119.911 120.400 -0.203 0.000 2.057 283 K HA -0.106 4.228 4.320 0.023 0.000 0.206 283 K C 2.216 178.746 176.600 -0.117 0.000 1.050 283 K CA 1.169 57.390 56.287 -0.110 0.000 0.935 283 K CB -0.158 32.310 32.500 -0.052 0.000 0.715 283 K HN 0.422 nan 8.250 nan 0.000 0.439 284 R N 0.176 120.589 120.500 -0.145 0.000 2.120 284 R HA -0.084 4.270 4.340 0.023 0.000 0.234 284 R C 2.212 178.430 176.300 -0.138 0.000 1.123 284 R CA 1.118 57.155 56.100 -0.105 0.000 0.975 284 R CB -0.232 30.033 30.300 -0.059 0.000 0.866 284 R HN 0.074 nan 8.270 nan 0.000 0.446 285 V N 0.440 120.188 119.914 -0.277 0.000 2.261 285 V HA -0.225 3.909 4.120 0.023 0.000 0.246 285 V C 2.349 178.390 176.094 -0.089 0.000 1.047 285 V CA 1.698 63.860 62.300 -0.230 0.000 1.015 285 V CB -0.355 31.234 31.823 -0.389 0.000 0.642 285 V HN 0.105 nan 8.190 nan 0.000 0.446 286 V N 0.157 120.023 119.914 -0.079 0.000 2.358 286 V HA -0.233 3.901 4.120 0.023 0.000 0.246 286 V C 2.286 178.370 176.094 -0.017 0.000 1.047 286 V CA 2.104 64.392 62.300 -0.020 0.000 1.035 286 V CB -0.727 31.092 31.823 -0.007 0.000 0.658 286 V HN 0.551 nan 8.190 nan 0.000 0.452 287 D N 0.295 120.679 120.400 -0.027 0.000 2.104 287 D HA -0.148 4.506 4.640 0.023 0.000 0.194 287 D C 2.077 178.376 176.300 -0.002 0.000 0.994 287 D CA 1.282 55.274 54.000 -0.013 0.000 0.830 287 D CB -0.441 40.351 40.800 -0.014 0.000 0.959 287 D HN 0.342 nan 8.370 nan 0.000 0.452 288 N N 0.600 119.298 118.700 -0.002 0.000 2.120 288 N HA -0.096 4.658 4.740 0.023 0.000 0.188 288 N C 1.714 177.234 175.510 0.017 0.000 1.024 288 N CA 1.352 54.413 53.050 0.019 0.000 0.852 288 N CB -0.478 38.029 38.487 0.034 0.000 1.003 288 N HN 0.135 nan 8.380 nan 0.000 0.424 289 A N 0.973 123.797 122.820 0.006 0.000 1.883 289 A HA -0.168 4.166 4.320 0.023 0.000 0.217 289 A C 2.207 179.788 177.584 -0.005 0.000 1.186 289 A CA 1.710 53.746 52.037 -0.001 0.000 0.624 289 A CB -0.454 18.543 19.000 -0.004 0.000 0.822 289 A HN 0.157 nan 8.150 nan 0.000 0.444 290 K N -0.710 119.688 120.400 -0.002 0.000 2.057 290 K HA -0.127 4.207 4.320 0.023 0.000 0.207 290 K C 2.241 178.845 176.600 0.005 0.000 1.049 290 K CA 1.686 57.972 56.287 -0.002 0.000 0.931 290 K CB -0.217 32.282 32.500 -0.001 0.000 0.714 290 K HN 0.375 nan 8.250 nan 0.000 0.440 291 R N 0.512 121.018 120.500 0.010 0.000 2.081 291 R HA -0.055 4.299 4.340 0.023 0.000 0.235 291 R C 1.956 178.269 176.300 0.021 0.000 1.131 291 R CA 1.172 57.282 56.100 0.016 0.000 0.960 291 R CB -0.819 29.492 30.300 0.019 0.000 0.856 291 R HN 0.174 nan 8.270 nan 0.000 0.436 292 L N 0.223 121.459 121.223 0.021 0.000 2.083 292 L HA 0.044 4.397 4.340 0.023 0.000 0.209 292 L C 2.056 178.935 176.870 0.014 0.000 1.083 292 L CA 2.120 56.973 54.840 0.021 0.000 0.752 292 L CB -1.009 41.059 42.059 0.016 0.000 0.899 292 L HN 0.283 nan 8.230 nan 0.000 0.433 293 A N -1.708 121.116 122.820 0.006 0.000 1.858 293 A HA -0.242 4.092 4.320 0.023 0.000 0.216 293 A C 2.522 180.123 177.584 0.028 0.000 1.190 293 A CA 2.033 54.075 52.037 0.008 0.000 0.617 293 A CB -1.273 17.725 19.000 -0.004 0.000 0.827 293 A HN 0.481 nan 8.150 nan 0.000 0.443 294 S N -0.579 115.136 115.700 0.024 0.000 2.370 294 S HA -0.102 4.382 4.470 0.023 0.000 0.226 294 S C 2.155 176.781 174.600 0.043 0.000 1.033 294 S CA 1.713 59.930 58.200 0.029 0.000 1.011 294 S CB -0.477 62.736 63.200 0.020 0.000 0.852 294 S HN 0.830 nan 8.310 nan 0.000 0.457 295 A N 0.777 123.624 122.820 0.045 0.000 1.969 295 A HA 0.106 4.440 4.320 0.023 0.000 0.218 295 A C 2.144 179.788 177.584 0.100 0.000 1.169 295 A CA 1.127 53.199 52.037 0.058 0.000 0.635 295 A CB -0.589 18.441 19.000 0.049 0.000 0.810 295 A HN 0.562 nan 8.150 nan 0.000 0.445 296 L N -0.968 120.324 121.223 0.115 0.000 2.156 296 L HA -0.200 4.154 4.340 0.023 0.000 0.208 296 L C 2.821 179.863 176.870 0.287 0.000 1.095 296 L CA 1.210 56.189 54.840 0.232 0.000 0.770 296 L CB -0.436 41.685 42.059 0.104 0.000 0.914 296 L HN 0.461 nan 8.230 nan 0.000 0.439 297 Q N -0.392 119.501 119.800 0.155 0.000 2.079 297 Q HA -0.222 4.132 4.340 0.023 0.000 0.200 297 Q C 2.030 178.068 176.000 0.065 0.000 0.974 297 Q CA 1.461 57.329 55.803 0.108 0.000 0.840 297 Q CB -0.297 28.481 28.738 0.067 0.000 0.898 297 Q HN 0.481 nan 8.270 nan 0.000 0.430 298 N N 0.533 119.269 118.700 0.059 0.000 2.205 298 N HA -0.204 4.550 4.740 0.023 0.000 0.186 298 N C 1.285 176.806 175.510 0.017 0.000 1.015 298 N CA 0.950 54.020 53.050 0.033 0.000 0.862 298 N CB 0.212 38.721 38.487 0.035 0.000 0.986 298 N HN 0.224 nan 8.380 nan 0.000 0.429 299 E N -0.394 119.835 120.200 0.048 0.000 2.274 299 E HA -0.017 4.347 4.350 0.023 0.000 0.194 299 E C 1.163 177.632 176.600 -0.218 0.000 0.996 299 E CA 0.881 57.269 56.400 -0.020 0.000 0.840 299 E CB -0.059 29.727 29.700 0.144 0.000 0.772 299 E HN 0.615 nan 8.360 nan 0.000 0.491 300 G N 0.494 109.187 108.800 -0.178 0.000 2.183 300 G HA2 -0.194 3.780 3.960 0.023 0.000 0.168 300 G HA3 -0.194 3.780 3.960 0.023 0.000 0.168 300 G C -0.148 174.592 174.900 -0.266 0.000 1.008 300 G CA -0.452 44.508 45.100 -0.234 0.000 0.677 300 G HN 0.085 nan 8.290 nan 0.000 0.498 301 F N 2.170 122.123 119.950 0.005 0.000 2.396 301 F HA 0.555 5.097 4.527 0.024 0.000 0.343 301 F C 1.162 176.966 175.800 0.006 0.000 1.104 301 F CA -0.048 57.955 58.000 0.005 0.000 1.161 301 F CB 1.350 40.352 39.000 0.003 0.000 1.146 301 F HN -0.085 nan 8.300 nan 0.000 0.522 302 T N 5.170 119.847 114.554 0.205 0.000 2.817 302 T HA 0.512 4.876 4.350 0.023 0.000 0.293 302 T C -0.101 174.667 174.700 0.113 0.000 0.964 302 T CA -0.433 61.743 62.100 0.127 0.000 1.085 302 T CB 0.260 69.185 68.868 0.096 0.000 0.921 302 T HN 0.283 nan 8.240 nan 0.000 0.502 303 L N 3.003 124.276 121.223 0.084 0.000 2.329 303 L HA 0.482 4.836 4.340 0.023 0.000 0.279 303 L C 0.125 177.030 176.870 0.057 0.000 1.014 303 L CA -1.361 53.507 54.840 0.046 0.000 0.814 303 L CB 1.575 43.651 42.059 0.029 0.000 1.257 303 L HN 0.325 nan 8.230 nan 0.000 0.424 304 V N 2.913 122.830 119.914 0.005 0.000 2.557 304 V HA -0.075 4.059 4.120 0.023 0.000 0.301 304 V C 1.142 177.308 176.094 0.120 0.000 1.026 304 V CA 1.330 63.625 62.300 -0.008 0.000 1.137 304 V CB 0.732 32.453 31.823 -0.170 0.000 0.917 304 V HN 1.176 nan 8.190 nan 0.000 0.484 305 S N 2.460 118.394 115.700 0.391 0.000 2.929 305 S HA -0.200 4.284 4.470 0.023 0.000 0.271 305 S C 1.289 175.932 174.600 0.072 0.000 1.295 305 S CA 1.060 59.371 58.200 0.184 0.000 1.277 305 S CB -1.971 61.263 63.200 0.057 0.000 1.557 305 S HN 2.816 nan 8.310 nan 0.000 0.666 306 G N -0.236 108.613 108.800 0.082 0.000 2.147 306 G HA2 0.333 4.307 3.960 0.023 0.000 0.244 306 G HA3 0.333 4.307 3.960 0.023 0.000 0.244 306 G C 0.960 175.871 174.900 0.019 0.000 1.005 306 G CA 0.598 45.723 45.100 0.041 0.000 0.713 306 G HN 2.706 nan 8.290 nan 0.000 0.515 307 G N -2.623 106.181 108.800 0.006 0.000 2.288 307 G HA2 0.616 4.590 3.960 0.023 0.000 0.227 307 G HA3 0.616 4.590 3.960 0.023 0.000 0.227 307 G C -0.445 174.430 174.900 -0.042 0.000 1.339 307 G CA 0.885 45.977 45.100 -0.013 0.000 1.057 307 G HN 1.971 nan 8.290 nan 0.000 0.470 308 T N -1.220 113.307 114.554 -0.046 0.000 2.889 308 T HA 0.591 4.955 4.350 0.023 0.000 0.315 308 T C -1.088 173.584 174.700 -0.046 0.000 1.291 308 T CA 0.247 62.308 62.100 -0.066 0.000 1.028 308 T CB 1.944 70.771 68.868 -0.070 0.000 1.235 308 T HN 0.327 nan 8.240 nan 0.000 0.491 309 D N 1.304 121.676 120.400 -0.046 0.000 2.449 309 D HA 0.196 4.849 4.640 0.023 0.000 0.210 309 D C 0.678 177.005 176.300 0.044 0.000 1.094 309 D CA 0.362 54.355 54.000 -0.012 0.000 0.846 309 D CB 0.583 41.368 40.800 -0.026 0.000 1.003 309 D HN 0.672 nan 8.370 nan 0.000 0.504 310 N N -0.789 117.945 118.700 0.056 0.000 3.464 310 N HA -0.012 4.742 4.740 0.023 0.000 0.335 310 N C 1.088 176.673 175.510 0.125 0.000 1.489 310 N CA -0.222 52.922 53.050 0.157 0.000 0.652 310 N CB -0.313 38.352 38.487 0.297 0.000 2.334 310 N HN -0.147 nan 8.380 nan 0.000 0.560 311 H N -0.988 118.103 119.070 0.036 0.000 2.562 311 H HA 0.322 4.893 4.556 0.024 0.000 0.267 311 H C 0.117 175.455 175.328 0.016 0.000 0.959 311 H CA -0.056 56.003 56.048 0.018 0.000 1.204 311 H CB -0.283 29.503 29.762 0.040 0.000 1.430 311 H HN 0.504 nan 8.280 nan 0.000 0.545 312 L N 0.067 120.980 121.223 -0.516 0.000 2.323 312 L HA 0.683 5.037 4.340 0.023 0.000 0.265 312 L C -0.976 175.756 176.870 -0.230 0.000 1.012 312 L CA -1.521 53.072 54.840 -0.412 0.000 0.820 312 L CB 2.244 43.945 42.059 -0.595 0.000 1.334 312 L HN 0.047 nan 8.230 nan 0.000 0.427 313 L N -0.035 121.089 121.223 -0.164 0.000 2.359 313 L HA 0.863 5.217 4.340 0.023 0.000 0.256 313 L C -1.461 175.342 176.870 -0.112 0.000 1.026 313 L CA -0.837 53.930 54.840 -0.122 0.000 0.828 313 L CB 1.964 43.971 42.059 -0.087 0.000 1.406 313 L HN 0.629 nan 8.230 nan 0.000 0.413 314 L N 1.488 122.653 121.223 -0.096 0.000 2.381 314 L HA 0.682 5.036 4.340 0.023 0.000 0.274 314 L C -0.865 175.959 176.870 -0.077 0.000 0.988 314 L CA -0.884 53.902 54.840 -0.090 0.000 0.824 314 L CB 2.236 44.240 42.059 -0.092 0.000 1.263 314 L HN 0.454 nan 8.230 nan 0.000 0.410 315 V N 1.395 121.258 119.914 -0.086 0.000 2.406 315 V HA 0.148 4.282 4.120 0.023 0.000 0.272 315 V C -0.131 175.944 176.094 -0.032 0.000 1.043 315 V CA -0.444 61.815 62.300 -0.068 0.000 0.915 315 V CB 1.347 33.073 31.823 -0.162 0.000 0.988 315 V HN 0.623 nan 8.190 nan 0.000 0.466 316 D N 4.457 124.860 120.400 0.005 0.000 2.336 316 D HA 0.215 4.869 4.640 0.023 0.000 0.249 316 D C 0.630 176.968 176.300 0.064 0.000 1.213 316 D CA 0.006 54.014 54.000 0.013 0.000 0.870 316 D CB 1.202 42.008 40.800 0.011 0.000 1.076 316 D HN 0.456 nan 8.370 nan 0.000 0.483 317 L N 3.633 124.889 121.223 0.055 0.000 2.567 317 L HA 0.165 4.519 4.340 0.023 0.000 0.225 317 L C 2.364 179.279 176.870 0.075 0.000 1.119 317 L CA -0.127 54.767 54.840 0.090 0.000 0.871 317 L CB 0.006 42.105 42.059 0.067 0.000 1.036 317 L HN 0.292 nan 8.230 nan 0.000 0.459 318 R N 0.689 121.221 120.500 0.053 0.000 2.119 318 R HA -0.198 4.156 4.340 0.023 0.000 0.246 318 R C -0.431 175.894 176.300 0.041 0.000 1.146 318 R CA 1.718 57.844 56.100 0.043 0.000 0.962 318 R CB -1.633 28.689 30.300 0.038 0.000 0.863 318 R HN 0.312 nan 8.270 nan 0.000 0.442 319 P HA -0.139 nan 4.420 nan 0.000 0.219 319 P C 0.503 177.814 177.300 0.019 0.000 1.146 319 P CA 1.294 64.410 63.100 0.028 0.000 0.808 319 P CB 0.129 31.845 31.700 0.026 0.000 0.779 320 Q N -1.427 118.397 119.800 0.040 0.000 2.319 320 Q HA 0.117 4.471 4.340 0.023 0.000 0.202 320 Q C 0.218 176.241 176.000 0.037 0.000 0.896 320 Q CA 0.075 55.899 55.803 0.035 0.000 0.942 320 Q CB -0.355 28.428 28.738 0.076 0.000 1.083 320 Q HN 0.016 nan 8.270 nan 0.000 0.510 321 Q N -0.250 119.571 119.800 0.035 0.000 2.434 321 Q HA -0.212 4.142 4.340 0.023 0.000 0.299 321 Q C -1.026 174.996 176.000 0.036 0.000 1.286 321 Q CA 0.856 56.678 55.803 0.031 0.000 0.872 321 Q CB -1.840 26.912 28.738 0.023 0.000 1.193 321 Q HN 0.409 nan 8.270 nan 0.000 0.466 322 L N -0.175 121.076 121.223 0.046 0.000 2.342 322 L HA 0.542 4.896 4.340 0.023 0.000 0.271 322 L C 0.946 177.840 176.870 0.040 0.000 1.008 322 L CA -0.643 54.225 54.840 0.047 0.000 0.818 322 L CB 1.931 44.029 42.059 0.064 0.000 1.296 322 L HN 0.132 nan 8.230 nan 0.000 0.427 323 T N -1.864 112.710 114.554 0.033 0.000 2.902 323 T HA 0.300 4.664 4.350 0.023 0.000 0.280 323 T C 1.187 175.900 174.700 0.021 0.000 0.992 323 T CA -0.099 62.018 62.100 0.027 0.000 1.015 323 T CB 1.676 70.561 68.868 0.029 0.000 1.044 323 T HN 0.686 nan 8.240 nan 0.000 0.520 324 G N 0.213 109.020 108.800 0.012 0.000 2.422 324 G HA2 -0.186 3.788 3.960 0.023 0.000 0.218 324 G HA3 -0.186 3.788 3.960 0.023 0.000 0.218 324 G C 1.377 176.282 174.900 0.008 0.000 1.146 324 G CA 0.796 45.897 45.100 0.001 0.000 0.769 324 G HN 0.831 nan 8.290 nan 0.000 0.547 325 K N -0.235 120.175 120.400 0.018 0.000 2.020 325 K HA -0.139 4.195 4.320 0.023 0.000 0.212 325 K C 2.642 179.256 176.600 0.023 0.000 1.050 325 K CA 1.879 58.181 56.287 0.025 0.000 0.929 325 K CB -0.347 32.175 32.500 0.037 0.000 0.714 325 K HN 0.289 nan 8.250 nan 0.000 0.443 326 T N 0.637 115.205 114.554 0.024 0.000 2.674 326 T HA -0.142 4.222 4.350 0.023 0.000 0.265 326 T C 1.850 176.564 174.700 0.023 0.000 1.039 326 T CA 1.418 63.533 62.100 0.025 0.000 1.150 326 T CB -0.348 68.537 68.868 0.028 0.000 0.864 326 T HN 0.425 nan 8.240 nan 0.000 0.427 327 A N 1.330 124.162 122.820 0.020 0.000 1.883 327 A HA -0.182 4.152 4.320 0.023 0.000 0.217 327 A C 2.214 179.800 177.584 0.004 0.000 1.186 327 A CA 2.093 54.138 52.037 0.013 0.000 0.624 327 A CB -0.723 18.279 19.000 0.002 0.000 0.822 327 A HN 0.642 nan 8.150 nan 0.000 0.444 328 E N -0.206 119.996 120.200 0.002 0.000 2.058 328 E HA -0.270 4.094 4.350 0.023 0.000 0.194 328 E C 2.111 178.717 176.600 0.009 0.000 0.997 328 E CA 1.667 58.068 56.400 0.002 0.000 0.801 328 E CB -0.154 29.549 29.700 0.004 0.000 0.746 328 E HN 0.638 nan 8.360 nan 0.000 0.450 329 K N 0.167 120.575 120.400 0.014 0.000 2.026 329 K HA -0.120 4.214 4.320 0.023 0.000 0.208 329 K C 2.142 178.752 176.600 0.017 0.000 1.048 329 K CA 1.328 57.625 56.287 0.016 0.000 0.929 329 K CB -0.148 32.363 32.500 0.019 0.000 0.713 329 K HN 0.134 nan 8.250 nan 0.000 0.439 330 V N 1.264 121.189 119.914 0.018 0.000 2.548 330 V HA -0.130 4.004 4.120 0.023 0.000 0.249 330 V C 2.014 178.120 176.094 0.020 0.000 1.055 330 V CA 1.195 63.508 62.300 0.021 0.000 1.065 330 V CB -0.131 31.708 31.823 0.027 0.000 0.681 330 V HN 0.328 nan 8.190 nan 0.000 0.462 331 L N 0.096 121.328 121.223 0.015 0.000 2.093 331 L HA -0.152 4.202 4.340 0.023 0.000 0.208 331 L C 2.345 179.224 176.870 0.014 0.000 1.085 331 L CA 2.141 56.989 54.840 0.012 0.000 0.755 331 L CB -0.627 41.432 42.059 -0.001 0.000 0.904 331 L HN 0.436 nan 8.230 nan 0.000 0.435 332 D N 0.162 120.570 120.400 0.013 0.000 2.182 332 D HA -0.227 4.427 4.640 0.023 0.000 0.201 332 D C 1.996 178.306 176.300 0.017 0.000 0.986 332 D CA 1.173 55.182 54.000 0.015 0.000 0.847 332 D CB 0.157 40.965 40.800 0.014 0.000 0.942 332 D HN 0.293 nan 8.370 nan 0.000 0.467 333 E N -0.711 119.499 120.200 0.017 0.000 2.204 333 E HA -0.103 4.261 4.350 0.023 0.000 0.194 333 E C 1.923 178.535 176.600 0.019 0.000 0.989 333 E CA 1.082 57.493 56.400 0.018 0.000 0.824 333 E CB 0.251 29.962 29.700 0.018 0.000 0.756 333 E HN 0.422 nan 8.360 nan 0.000 0.477 334 V N -3.992 115.934 119.914 0.021 0.000 3.578 334 V HA 0.455 4.589 4.120 0.023 0.000 0.290 334 V C 1.028 177.137 176.094 0.025 0.000 1.376 334 V CA 0.411 62.725 62.300 0.023 0.000 1.083 334 V CB 0.379 32.217 31.823 0.026 0.000 0.911 334 V HN 0.212 nan 8.190 nan 0.000 0.433 335 G N 0.910 109.724 108.800 0.023 0.000 2.131 335 G HA2 -0.170 3.804 3.960 0.023 0.000 0.201 335 G HA3 -0.170 3.804 3.960 0.023 0.000 0.201 335 G C -0.267 174.650 174.900 0.027 0.000 1.000 335 G CA 0.123 45.238 45.100 0.025 0.000 0.680 335 G HN 0.583 nan 8.290 nan 0.000 0.514 336 I N 1.876 122.461 120.570 0.024 0.000 2.362 336 I HA 0.362 4.546 4.170 0.023 0.000 0.289 336 I C 0.077 176.202 176.117 0.012 0.000 0.994 336 I CA -0.628 60.685 61.300 0.021 0.000 1.158 336 I CB 1.872 39.884 38.000 0.019 0.000 1.315 336 I HN 0.034 nan 8.210 nan 0.000 0.451 337 T N 6.449 121.010 114.554 0.012 0.000 2.738 337 T HA 0.481 4.845 4.350 0.023 0.000 0.298 337 T C 0.037 174.736 174.700 -0.001 0.000 0.962 337 T CA -0.543 61.562 62.100 0.008 0.000 0.972 337 T CB 0.865 69.741 68.868 0.013 0.000 0.928 337 T HN 0.432 nan 8.240 nan 0.000 0.474 338 V N 1.049 120.960 119.914 -0.006 0.000 3.164 338 V HA 0.801 4.935 4.120 0.023 0.000 0.313 338 V C -1.023 175.066 176.094 -0.008 0.000 1.188 338 V CA -1.380 60.912 62.300 -0.014 0.000 1.058 338 V CB 2.409 34.214 31.823 -0.031 0.000 1.110 338 V HN 0.863 nan 8.190 nan 0.000 0.453 339 N N 0.154 118.847 118.700 -0.011 0.000 2.238 339 N HA 0.343 5.097 4.740 0.023 0.000 0.302 339 N C -0.856 174.643 175.510 -0.019 0.000 1.072 339 N CA -0.805 52.240 53.050 -0.008 0.000 0.792 339 N CB 2.549 41.037 38.487 0.001 0.000 1.425 339 N HN 0.994 nan 8.380 nan 0.000 0.478 340 K N 1.152 121.543 120.400 -0.016 0.000 2.485 340 K HA 0.077 4.411 4.320 0.023 0.000 0.277 340 K C -0.963 175.615 176.600 -0.036 0.000 0.990 340 K CA 0.008 56.282 56.287 -0.023 0.000 0.994 340 K CB 0.308 32.802 32.500 -0.011 0.000 0.906 340 K HN 0.689 nan 8.250 nan 0.000 0.488 341 N N 0.855 119.529 118.700 -0.044 0.000 2.369 341 N HA 0.082 4.836 4.740 0.023 0.000 0.287 341 N C -1.651 173.824 175.510 -0.059 0.000 1.067 341 N CA -0.613 52.404 53.050 -0.056 0.000 0.888 341 N CB 1.824 40.278 38.487 -0.054 0.000 1.616 341 N HN 0.762 nan 8.380 nan 0.000 0.482 342 T N 0.969 115.482 114.554 -0.069 0.000 2.934 342 T HA 0.267 4.631 4.350 0.023 0.000 0.306 342 T C 0.713 175.375 174.700 -0.063 0.000 1.042 342 T CA -0.361 61.702 62.100 -0.062 0.000 1.145 342 T CB -0.306 68.521 68.868 -0.068 0.000 0.982 342 T HN 0.415 nan 8.240 nan 0.000 0.544 343 I N 0.333 120.862 120.570 -0.068 0.000 2.566 343 I HA 0.596 4.780 4.170 0.023 0.000 0.303 343 I C -2.733 173.310 176.117 -0.124 0.000 0.983 343 I CA -3.576 57.658 61.300 -0.110 0.000 1.235 343 I CB 0.632 38.559 38.000 -0.120 0.000 1.386 343 I HN 0.308 nan 8.210 nan 0.000 0.494 344 P HA -0.007 nan 4.420 nan 0.000 0.262 344 P C -1.164 176.072 177.300 -0.106 0.000 1.182 344 P CA 0.690 63.558 63.100 -0.387 0.000 0.761 344 P CB -0.184 31.273 31.700 -0.405 0.000 0.795 345 Y N -0.671 119.564 120.300 -0.109 0.000 3.929 345 Y HA -0.262 4.302 4.550 0.024 0.000 0.225 345 Y C 0.832 176.738 175.900 0.010 0.000 1.200 345 Y CA 0.373 58.484 58.100 0.019 0.000 1.791 345 Y CB -2.442 36.027 38.460 0.015 0.000 1.561 345 Y HN 0.394 nan 8.280 nan 0.000 0.657 346 D N 2.133 122.575 120.400 0.069 0.000 2.487 346 D HA 0.009 4.663 4.640 0.023 0.000 0.243 346 D C -0.774 175.560 176.300 0.058 0.000 1.154 346 D CA -0.771 53.255 54.000 0.044 0.000 0.876 346 D CB 1.050 41.853 40.800 0.004 0.000 1.161 346 D HN 0.178 nan 8.370 nan 0.000 0.478 347 P HA -0.003 nan 4.420 nan 0.000 0.233 347 P C -0.004 177.322 177.300 0.043 0.000 1.167 347 P CA 0.532 63.663 63.100 0.053 0.000 0.770 347 P CB 0.611 32.340 31.700 0.049 0.000 0.837 348 E N 0.389 120.611 120.200 0.036 0.000 2.232 348 E HA 0.257 4.621 4.350 0.023 0.000 0.265 348 E C 0.381 177.003 176.600 0.036 0.000 1.001 348 E CA -0.502 55.920 56.400 0.037 0.000 0.870 348 E CB 1.246 30.966 29.700 0.033 0.000 1.175 348 E HN 0.041 nan 8.360 nan 0.000 0.407 349 S N 0.531 116.267 115.700 0.060 0.000 2.593 349 S HA 0.128 4.612 4.470 0.023 0.000 0.269 349 S C -1.871 172.743 174.600 0.022 0.000 1.334 349 S CA -0.964 57.284 58.200 0.080 0.000 1.015 349 S CB 0.828 64.138 63.200 0.184 0.000 0.912 349 S HN 0.133 nan 8.310 nan 0.000 0.541 350 P HA -0.026 nan 4.420 nan 0.000 0.223 350 P C 0.389 177.462 177.300 -0.378 0.000 1.144 350 P CA 1.167 64.088 63.100 -0.299 0.000 0.783 350 P CB -0.150 31.241 31.700 -0.515 0.000 0.771 351 F N -2.670 117.271 119.950 -0.015 0.000 2.776 351 F HA 0.041 4.582 4.527 0.023 0.000 0.300 351 F C 1.879 177.675 175.800 -0.007 0.000 1.116 351 F CA 0.293 58.286 58.000 -0.012 0.000 1.375 351 F CB -0.232 38.761 39.000 -0.011 0.000 1.109 351 F HN -0.247 nan 8.300 nan 0.000 0.585 352 V N -1.922 118.070 119.914 0.130 0.000 2.950 352 V HA 0.150 4.284 4.120 0.023 0.000 0.231 352 V C 0.654 176.768 176.094 0.034 0.000 1.205 352 V CA 0.826 63.173 62.300 0.079 0.000 1.239 352 V CB -0.125 31.744 31.823 0.076 0.000 1.050 352 V HN 0.377 nan 8.190 nan 0.000 0.498 353 T N -0.678 113.886 114.554 0.017 0.000 0.541 353 T HA -0.229 4.135 4.350 0.023 0.000 0.774 353 T C 0.209 174.912 174.700 0.004 0.000 0.992 353 T CA 0.411 62.508 62.100 -0.005 0.000 4.077 353 T CB -1.459 67.393 68.868 -0.027 0.000 2.303 353 T HN 0.369 nan 8.240 nan 0.000 0.398 354 S N 0.939 116.637 115.700 -0.003 0.000 2.578 354 S HA 0.571 5.055 4.470 0.023 0.000 0.231 354 S C 0.806 175.404 174.600 -0.005 0.000 0.994 354 S CA -0.030 58.173 58.200 0.005 0.000 0.956 354 S CB 0.702 63.907 63.200 0.010 0.000 0.870 354 S HN 1.252 nan 8.310 nan 0.000 0.494 355 G N 1.580 110.368 108.800 -0.020 0.000 2.672 355 G HA2 0.710 4.684 3.960 0.023 0.000 0.292 355 G HA3 0.710 4.684 3.960 0.023 0.000 0.292 355 G C -1.149 173.726 174.900 -0.041 0.000 1.375 355 G CA -0.928 44.152 45.100 -0.034 0.000 0.890 355 G HN 0.304 nan 8.290 nan 0.000 0.476 356 I N -1.709 118.827 120.570 -0.057 0.000 2.530 356 I HA 0.743 4.927 4.170 0.023 0.000 0.297 356 I C -0.227 175.846 176.117 -0.074 0.000 1.011 356 I CA -1.213 60.049 61.300 -0.063 0.000 1.107 356 I CB 2.375 40.331 38.000 -0.073 0.000 1.285 356 I HN 0.428 nan 8.210 nan 0.000 0.436 357 R N 5.868 126.331 120.500 -0.062 0.000 2.312 357 R HA 0.750 5.104 4.340 0.023 0.000 0.311 357 R C -1.500 174.764 176.300 -0.060 0.000 1.004 357 R CA -0.510 55.550 56.100 -0.067 0.000 0.902 357 R CB 1.198 31.465 30.300 -0.056 0.000 1.073 357 R HN 0.811 nan 8.270 nan 0.000 0.457 358 I N 2.696 123.221 120.570 -0.074 0.000 2.582 358 I HA 0.449 4.633 4.170 0.023 0.000 0.292 358 I C 0.037 176.118 176.117 -0.060 0.000 1.066 358 I CA -0.810 60.454 61.300 -0.059 0.000 1.053 358 I CB 2.456 40.413 38.000 -0.072 0.000 1.241 358 I HN 0.763 nan 8.210 nan 0.000 0.421 359 G N 1.380 110.169 108.800 -0.019 0.000 2.574 359 G HA2 0.514 4.488 3.960 0.023 0.000 0.299 359 G HA3 0.514 4.488 3.960 0.023 0.000 0.299 359 G C 0.149 175.069 174.900 0.034 0.000 1.298 359 G CA -0.301 44.805 45.100 0.010 0.000 0.952 359 G HN 0.600 nan 8.290 nan 0.000 0.477 360 T N -2.090 112.497 114.554 0.055 0.000 3.054 360 T HA 0.357 4.721 4.350 0.023 0.000 0.255 360 T C 2.152 176.884 174.700 0.053 0.000 1.035 360 T CA 1.173 63.300 62.100 0.044 0.000 0.941 360 T CB 0.645 69.533 68.868 0.035 0.000 1.026 360 T HN 0.701 nan 8.240 nan 0.000 0.533 361 A N 1.890 124.760 122.820 0.084 0.000 1.908 361 A HA 0.250 4.584 4.320 0.023 0.000 0.218 361 A C 2.693 180.369 177.584 0.153 0.000 1.181 361 A CA 1.833 53.936 52.037 0.109 0.000 0.627 361 A CB -1.320 17.753 19.000 0.122 0.000 0.818 361 A HN 0.726 nan 8.150 nan 0.000 0.445 362 A N -0.178 122.665 122.820 0.039 0.000 1.872 362 A HA 0.038 4.372 4.320 0.023 0.000 0.214 362 A C 2.308 179.980 177.584 0.147 0.000 1.187 362 A CA 2.094 54.121 52.037 -0.016 0.000 0.614 362 A CB -1.249 17.590 19.000 -0.269 0.000 0.826 362 A HN 1.120 nan 8.150 nan 0.000 0.442 363 V N -2.455 117.454 119.914 -0.008 0.000 2.626 363 V HA -0.150 3.984 4.120 0.023 0.000 0.252 363 V C 2.116 178.188 176.094 -0.037 0.000 1.067 363 V CA 2.545 64.695 62.300 -0.249 0.000 1.081 363 V CB -1.828 29.752 31.823 -0.405 0.000 0.686 363 V HN 0.418 nan 8.190 nan 0.000 0.468 364 T N 0.567 115.193 114.554 0.119 0.000 2.821 364 T HA -0.131 4.233 4.350 0.023 0.000 0.267 364 T C 1.942 176.842 174.700 0.334 0.000 1.046 364 T CA 2.087 64.312 62.100 0.208 0.000 1.139 364 T CB -0.573 68.351 68.868 0.093 0.000 0.871 364 T HN 0.642 nan 8.240 nan 0.000 0.454 365 T N 2.052 116.839 114.554 0.388 0.000 2.746 365 T HA -0.072 4.292 4.350 0.023 0.000 0.267 365 T C 2.046 176.850 174.700 0.174 0.000 1.039 365 T CA 0.799 63.057 62.100 0.264 0.000 1.142 365 T CB -0.115 68.903 68.868 0.250 0.000 0.866 365 T HN 0.160 nan 8.240 nan 0.000 0.444 366 R N 0.457 121.041 120.500 0.140 0.000 2.280 366 R HA 0.107 4.461 4.340 0.023 0.000 0.207 366 R C 1.915 178.322 176.300 0.178 0.000 1.043 366 R CA 0.788 56.919 56.100 0.052 0.000 1.006 366 R CB -0.635 29.589 30.300 -0.128 0.000 0.885 366 R HN 0.604 nan 8.270 nan 0.000 0.467 367 G N -0.220 108.722 108.800 0.238 0.000 2.184 367 G HA2 -0.223 3.751 3.960 0.023 0.000 0.206 367 G HA3 -0.223 3.751 3.960 0.023 0.000 0.206 367 G C 0.174 175.279 174.900 0.341 0.000 0.995 367 G CA -0.547 44.705 45.100 0.253 0.000 0.651 367 G HN 0.266 nan 8.290 nan 0.000 0.511 368 F N 1.177 121.167 119.950 0.066 0.000 2.563 368 F HA 0.421 4.964 4.527 0.025 0.000 0.363 368 F C 1.499 177.324 175.800 0.042 0.000 1.123 368 F CA 0.511 58.540 58.000 0.048 0.000 1.307 368 F CB 0.955 39.985 39.000 0.051 0.000 1.115 368 F HN 0.236 nan 8.300 nan 0.000 0.592 369 G N 2.138 111.017 108.800 0.132 0.000 3.251 369 G HA2 0.419 4.393 3.960 0.023 0.000 0.248 369 G HA3 0.419 4.393 3.960 0.023 0.000 0.248 369 G C 0.463 175.391 174.900 0.048 0.000 1.320 369 G CA -0.837 44.309 45.100 0.077 0.000 0.982 369 G HN 0.567 nan 8.290 nan 0.000 0.575 370 L N -0.078 121.161 121.223 0.027 0.000 2.046 370 L HA -0.065 4.289 4.340 0.023 0.000 0.208 370 L C 2.804 179.678 176.870 0.006 0.000 1.077 370 L CA 1.118 55.970 54.840 0.020 0.000 0.747 370 L CB -0.339 41.728 42.059 0.013 0.000 0.896 370 L HN 0.393 nan 8.230 nan 0.000 0.432 371 E N 0.481 120.674 120.200 -0.013 0.000 2.085 371 E HA -0.230 4.134 4.350 0.023 0.000 0.194 371 E C 2.105 178.674 176.600 -0.052 0.000 0.994 371 E CA 1.329 57.710 56.400 -0.031 0.000 0.801 371 E CB -0.167 29.506 29.700 -0.045 0.000 0.743 371 E HN 0.488 nan 8.360 nan 0.000 0.453 372 E N -0.004 120.144 120.200 -0.086 0.000 2.106 372 E HA -0.091 4.273 4.350 0.023 0.000 0.192 372 E C 1.966 178.566 176.600 -0.001 0.000 0.984 372 E CA 0.736 57.050 56.400 -0.144 0.000 0.806 372 E CB -0.123 29.360 29.700 -0.361 0.000 0.750 372 E HN 0.135 nan 8.360 nan 0.000 0.458 373 M N 0.747 120.375 119.600 0.047 0.000 2.117 373 M HA -0.135 4.359 4.480 0.023 0.000 0.262 373 M C 1.313 177.640 176.300 0.045 0.000 1.065 373 M CA 1.376 56.718 55.300 0.069 0.000 1.114 373 M CB -0.885 31.751 32.600 0.060 0.000 1.361 373 M HN 0.039 nan 8.290 nan 0.000 0.408 374 D N 0.165 120.580 120.400 0.026 0.000 2.104 374 D HA -0.183 4.471 4.640 0.023 0.000 0.194 374 D C 1.991 178.306 176.300 0.025 0.000 0.994 374 D CA 1.357 55.371 54.000 0.024 0.000 0.830 374 D CB -0.230 40.577 40.800 0.012 0.000 0.959 374 D HN 0.352 nan 8.370 nan 0.000 0.452 375 E N 0.675 120.880 120.200 0.010 0.000 2.051 375 E HA -0.107 4.257 4.350 0.023 0.000 0.192 375 E C 2.144 178.764 176.600 0.033 0.000 0.991 375 E CA 0.751 57.156 56.400 0.008 0.000 0.799 375 E CB -0.434 29.250 29.700 -0.026 0.000 0.748 375 E HN 0.292 nan 8.360 nan 0.000 0.449 376 I N 0.511 121.111 120.570 0.051 0.000 2.163 376 I HA -0.318 3.866 4.170 0.023 0.000 0.243 376 I C 2.383 178.532 176.117 0.053 0.000 1.085 376 I CA 1.299 62.641 61.300 0.070 0.000 1.347 376 I CB -0.442 37.622 38.000 0.107 0.000 1.044 376 I HN 0.214 nan 8.210 nan 0.000 0.408 377 A N 0.522 123.374 122.820 0.053 0.000 1.933 377 A HA -0.133 4.201 4.320 0.023 0.000 0.218 377 A C 2.514 180.162 177.584 0.106 0.000 1.175 377 A CA 1.780 53.857 52.037 0.067 0.000 0.628 377 A CB -0.754 18.291 19.000 0.074 0.000 0.814 377 A HN 0.447 nan 8.150 nan 0.000 0.444 378 A N -0.059 122.809 122.820 0.079 0.000 1.930 378 A HA -0.020 4.314 4.320 0.023 0.000 0.217 378 A C 2.085 179.716 177.584 0.079 0.000 1.175 378 A CA 1.404 53.486 52.037 0.076 0.000 0.627 378 A CB -0.542 18.486 19.000 0.047 0.000 0.815 378 A HN 0.496 nan 8.150 nan 0.000 0.443 379 I N -0.413 120.195 120.570 0.065 0.000 2.252 379 I HA -0.233 3.951 4.170 0.023 0.000 0.245 379 I C 2.242 178.403 176.117 0.073 0.000 1.102 379 I CA 1.198 62.534 61.300 0.059 0.000 1.385 379 I CB -0.341 37.688 38.000 0.048 0.000 1.064 379 I HN 0.275 nan 8.210 nan 0.000 0.414 380 I N 0.849 121.462 120.570 0.072 0.000 2.226 380 I HA -0.216 3.968 4.170 0.023 0.000 0.245 380 I C 2.705 178.949 176.117 0.212 0.000 1.100 380 I CA 1.641 62.977 61.300 0.060 0.000 1.374 380 I CB -0.906 37.051 38.000 -0.071 0.000 1.057 380 I HN 0.260 nan 8.210 nan 0.000 0.413 381 G N 1.138 110.131 108.800 0.323 0.000 2.459 381 G HA2 -0.294 3.680 3.960 0.023 0.000 0.217 381 G HA3 -0.294 3.680 3.960 0.023 0.000 0.217 381 G C 1.666 176.669 174.900 0.173 0.000 1.183 381 G CA 0.927 46.241 45.100 0.356 0.000 0.776 381 G HN 0.292 nan 8.290 nan 0.000 0.552 382 L N 0.653 121.944 121.223 0.113 0.000 2.013 382 L HA -0.089 4.265 4.340 0.023 0.000 0.212 382 L C 2.911 179.825 176.870 0.073 0.000 1.073 382 L CA 1.670 56.553 54.840 0.070 0.000 0.753 382 L CB -0.479 41.612 42.059 0.053 0.000 0.890 382 L HN 0.099 nan 8.230 nan 0.000 0.432 383 V N -0.420 119.545 119.914 0.086 0.000 2.270 383 V HA -0.278 3.856 4.120 0.023 0.000 0.245 383 V C 2.425 178.573 176.094 0.090 0.000 1.043 383 V CA 2.066 64.410 62.300 0.074 0.000 1.014 383 V CB -0.504 31.355 31.823 0.061 0.000 0.645 383 V HN 0.438 nan 8.190 nan 0.000 0.447 384 L N -0.677 120.634 121.223 0.147 0.000 2.395 384 L HA -0.041 4.313 4.340 0.023 0.000 0.218 384 L C 2.165 179.113 176.870 0.130 0.000 1.130 384 L CA 1.128 56.071 54.840 0.171 0.000 0.826 384 L CB -0.405 41.834 42.059 0.301 0.000 0.941 384 L HN 0.314 nan 8.230 nan 0.000 0.451 385 K N 0.125 120.581 120.400 0.094 0.000 2.367 385 K HA 0.086 4.420 4.320 0.023 0.000 0.194 385 K C -0.070 176.544 176.600 0.024 0.000 1.027 385 K CA 0.211 56.514 56.287 0.027 0.000 1.075 385 K CB 0.257 32.744 32.500 -0.023 0.000 0.845 385 K HN 0.279 nan 8.250 nan 0.000 0.529 386 N N 0.056 118.778 118.700 0.037 0.000 2.646 386 N HA 0.051 4.805 4.740 0.023 0.000 0.303 386 N C 0.286 175.815 175.510 0.031 0.000 1.921 386 N CA -0.100 52.967 53.050 0.028 0.000 0.872 386 N CB 1.404 39.906 38.487 0.024 0.000 1.327 386 N HN -0.208 nan 8.380 nan 0.000 0.492 387 V N -0.404 119.530 119.914 0.034 0.000 2.490 387 V HA -0.111 4.023 4.120 0.023 0.000 0.250 387 V C 2.056 178.165 176.094 0.025 0.000 1.061 387 V CA 2.178 64.499 62.300 0.033 0.000 1.064 387 V CB -0.348 31.497 31.823 0.036 0.000 0.670 387 V HN 0.632 nan 8.190 nan 0.000 0.461 388 G N -1.181 107.632 108.800 0.021 0.000 3.141 388 G HA2 0.068 4.042 3.960 0.023 0.000 0.218 388 G HA3 0.068 4.042 3.960 0.023 0.000 0.218 388 G C 0.570 175.479 174.900 0.015 0.000 1.170 388 G CA 0.602 45.713 45.100 0.017 0.000 0.769 388 G HN 0.427 nan 8.290 nan 0.000 0.546 389 S N 0.267 115.977 115.700 0.017 0.000 2.461 389 S HA 0.327 4.811 4.470 0.023 0.000 0.322 389 S C 0.969 175.578 174.600 0.016 0.000 1.063 389 S CA -0.575 57.634 58.200 0.015 0.000 1.120 389 S CB 0.987 64.196 63.200 0.015 0.000 0.968 389 S HN 0.155 nan 8.310 nan 0.000 0.467 390 E N 3.401 123.609 120.200 0.014 0.000 2.208 390 E HA -0.154 4.210 4.350 0.023 0.000 0.193 390 E C 1.961 178.569 176.600 0.014 0.000 0.988 390 E CA 0.956 57.365 56.400 0.014 0.000 0.828 390 E CB 0.035 29.743 29.700 0.012 0.000 0.763 390 E HN 0.973 nan 8.360 nan 0.000 0.478 391 Q N -0.234 119.574 119.800 0.013 0.000 2.245 391 Q HA 0.130 4.484 4.340 0.023 0.000 0.201 391 Q C 1.987 177.996 176.000 0.014 0.000 0.955 391 Q CA 1.072 56.882 55.803 0.012 0.000 0.870 391 Q CB -0.100 28.644 28.738 0.010 0.000 0.945 391 Q HN 0.095 nan 8.270 nan 0.000 0.461 392 A N 1.799 124.629 122.820 0.016 0.000 1.897 392 A HA -0.016 4.318 4.320 0.023 0.000 0.215 392 A C 2.159 179.757 177.584 0.023 0.000 1.181 392 A CA 0.856 52.904 52.037 0.020 0.000 0.620 392 A CB -0.533 18.480 19.000 0.022 0.000 0.821 392 A HN 0.361 nan 8.150 nan 0.000 0.443 393 L N -0.821 120.415 121.223 0.022 0.000 2.156 393 L HA -0.143 4.211 4.340 0.023 0.000 0.208 393 L C 2.598 179.480 176.870 0.021 0.000 1.095 393 L CA 1.573 56.426 54.840 0.023 0.000 0.770 393 L CB -0.448 41.624 42.059 0.022 0.000 0.914 393 L HN 0.465 nan 8.230 nan 0.000 0.439 394 E N 0.883 121.094 120.200 0.018 0.000 2.072 394 E HA -0.266 4.098 4.350 0.023 0.000 0.191 394 E C 2.013 178.623 176.600 0.017 0.000 0.985 394 E CA 1.479 57.889 56.400 0.016 0.000 0.801 394 E CB -0.024 29.684 29.700 0.014 0.000 0.750 394 E HN 0.392 nan 8.360 nan 0.000 0.452 395 E N -0.358 119.852 120.200 0.017 0.000 2.051 395 E HA -0.234 4.130 4.350 0.023 0.000 0.192 395 E C 1.957 178.568 176.600 0.020 0.000 0.991 395 E CA 1.168 57.578 56.400 0.017 0.000 0.799 395 E CB -0.278 29.432 29.700 0.016 0.000 0.748 395 E HN 0.336 nan 8.360 nan 0.000 0.449 396 A N 1.533 124.367 122.820 0.024 0.000 1.883 396 A HA -0.242 4.092 4.320 0.023 0.000 0.217 396 A C 2.220 179.819 177.584 0.026 0.000 1.186 396 A CA 1.790 53.844 52.037 0.028 0.000 0.624 396 A CB -0.684 18.335 19.000 0.032 0.000 0.822 396 A HN 0.251 nan 8.150 nan 0.000 0.444 397 R N -0.579 119.935 120.500 0.024 0.000 2.096 397 R HA -0.228 4.126 4.340 0.023 0.000 0.240 397 R C 2.427 178.740 176.300 0.021 0.000 1.139 397 R CA 2.156 58.270 56.100 0.023 0.000 0.952 397 R CB -0.305 30.007 30.300 0.020 0.000 0.854 397 R HN 0.727 nan 8.270 nan 0.000 0.436 398 Q N -0.731 119.081 119.800 0.018 0.000 2.167 398 Q HA -0.122 4.232 4.340 0.023 0.000 0.202 398 Q C 2.145 178.154 176.000 0.015 0.000 0.970 398 Q CA 1.365 57.177 55.803 0.016 0.000 0.855 398 Q CB 0.080 28.826 28.738 0.013 0.000 0.911 398 Q HN 0.319 nan 8.270 nan 0.000 0.438 399 R N -0.367 120.143 120.500 0.016 0.000 2.153 399 R HA -0.037 4.317 4.340 0.023 0.000 0.218 399 R C 2.209 178.520 176.300 0.020 0.000 1.072 399 R CA 0.704 56.813 56.100 0.014 0.000 0.990 399 R CB -0.021 30.288 30.300 0.015 0.000 0.889 399 R HN 0.063 nan 8.270 nan 0.000 0.452 400 V N 0.928 120.860 119.914 0.030 0.000 2.358 400 V HA -0.213 3.921 4.120 0.023 0.000 0.246 400 V C 2.367 178.485 176.094 0.039 0.000 1.047 400 V CA 1.991 64.317 62.300 0.045 0.000 1.035 400 V CB -0.551 31.298 31.823 0.044 0.000 0.658 400 V HN 0.386 nan 8.190 nan 0.000 0.452 401 A N -0.080 122.755 122.820 0.026 0.000 1.972 401 A HA -0.076 4.258 4.320 0.023 0.000 0.219 401 A C 2.396 179.989 177.584 0.015 0.000 1.169 401 A CA 1.891 53.940 52.037 0.021 0.000 0.635 401 A CB -0.636 18.376 19.000 0.021 0.000 0.810 401 A HN 0.559 nan 8.150 nan 0.000 0.446 402 A N -0.320 122.505 122.820 0.008 0.000 1.930 402 A HA 0.000 4.334 4.320 0.023 0.000 0.217 402 A C 2.135 179.704 177.584 -0.024 0.000 1.175 402 A CA 1.389 53.423 52.037 -0.006 0.000 0.627 402 A CB -0.501 18.492 19.000 -0.012 0.000 0.815 402 A HN 0.467 nan 8.150 nan 0.000 0.443 403 L N -0.164 121.047 121.223 -0.021 0.000 2.093 403 L HA -0.098 4.256 4.340 0.023 0.000 0.208 403 L C 2.297 179.189 176.870 0.036 0.000 1.085 403 L CA 1.629 56.431 54.840 -0.063 0.000 0.755 403 L CB -0.460 41.592 42.059 -0.012 0.000 0.904 403 L HN 0.597 nan 8.230 nan 0.000 0.435 404 T N -3.518 111.076 114.554 0.067 0.000 3.278 404 T HA 0.076 4.440 4.350 0.023 0.000 0.251 404 T C 0.242 174.903 174.700 -0.064 0.000 1.039 404 T CA -0.442 61.653 62.100 -0.007 0.000 0.935 404 T CB -0.322 68.480 68.868 -0.110 0.000 1.034 404 T HN 0.413 nan 8.240 nan 0.000 0.575 405 D N -0.906 119.502 120.400 0.014 0.000 10.737 405 D HA -0.002 4.652 4.640 0.023 0.000 0.342 405 D C -0.247 176.093 176.300 0.066 0.000 3.138 405 D CA 1.140 55.174 54.000 0.057 0.000 2.684 405 D CB -0.884 39.993 40.800 0.129 0.000 1.221 405 D HN 0.803 nan 8.370 nan 0.000 0.944 406 G N 0.000 108.834 108.800 0.056 0.000 5.446 406 G HA2 0.000 3.974 3.960 0.023 0.000 0.244 406 G HA3 0.000 3.974 3.960 0.023 0.000 0.244 406 G CA 0.000 nan 45.100 nan 0.000 0.502 406 G HN 0.000 nan 8.290 nan 0.000 0.925