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 2vib_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKYLPQQDPQ VFAAIEQERK RQHAKIELIA SENFVSRAVM EAQGSVLTNK DATA SEQUENCE YAEGYPGRRY YGGCEYVDIV EELARERAKQ LFGAEHANVQ PHSGAQANMA DATA SEQUENCE VYFTVLEHGD TVLGMNLSHG GHLTHGSPVN FSGVQYNFVA YGVDPETHVI DATA SEQUENCE DYDDVREKAR LHRPKLIVAA AAAYPRIIDF AKFREIADEV GAYLMVDMAH DATA SEQUENCE IAGLVAAGLH PNPVPYAHFV TTTTHKTLRG PRGGMILCQE QFAKQIDKAI DATA SEQUENCE FPGIQGGPLM HVIAAKAVAF GEALQDDFKA YAKRVVDNAK RLASALQNEG DATA SEQUENCE FTLVSGGTDN HLLLVDLRPQ QLTGKTAEKV LDEVGITVNK NTIPYDPESP DATA SEQUENCE FVTSGIRIGT AAVTTRGFGL EEMDEIAAII GLVLKNVGSE QALEEARQRV DATA SEQUENCE AALTD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.211 176.300 -0.148 0.000 1.140 1 M CA 0.000 55.292 55.300 -0.013 0.000 0.988 1 M CB 0.000 32.623 32.600 0.038 0.000 1.302 2 K N 0.296 120.583 120.400 -0.189 0.000 2.380 2 K HA 0.252 4.588 4.320 0.027 0.000 0.200 2 K C 0.579 176.869 176.600 -0.516 0.000 1.201 2 K CA 0.653 56.693 56.287 -0.413 0.000 0.916 2 K CB 0.512 32.659 32.500 -0.587 0.000 1.187 2 K HN 0.651 nan 8.250 nan 0.000 0.498 3 Y N 0.151 120.374 120.300 -0.128 0.000 2.441 3 Y HA 0.078 4.633 4.550 0.007 0.000 0.288 3 Y C 1.801 177.622 175.900 -0.132 0.000 1.118 3 Y CA 0.052 58.086 58.100 -0.111 0.000 1.215 3 Y CB -0.007 38.409 38.460 -0.073 0.000 1.118 3 Y HN 0.005 nan 8.280 nan 0.000 0.547 4 L N 1.560 122.783 121.223 0.001 0.000 2.042 4 L HA -0.062 4.294 4.340 0.027 0.000 0.210 4 L C -0.949 175.807 176.870 -0.189 0.000 1.076 4 L CA 1.950 56.766 54.840 -0.041 0.000 0.749 4 L CB -1.539 40.545 42.059 0.042 0.000 0.893 4 L HN -0.013 nan 8.230 nan 0.000 0.432 5 P HA -0.211 nan 4.420 nan 0.000 0.216 5 P C 1.395 178.537 177.300 -0.263 0.000 1.150 5 P CA 1.403 64.070 63.100 -0.722 0.000 0.837 5 P CB 0.059 31.140 31.700 -1.032 0.000 0.786 6 Q N -0.231 119.451 119.800 -0.197 0.000 2.062 6 Q HA -0.169 4.187 4.340 0.027 0.000 0.196 6 Q C 2.334 178.310 176.000 -0.041 0.000 0.967 6 Q CA 1.563 57.307 55.803 -0.098 0.000 0.832 6 Q CB -1.002 27.682 28.738 -0.091 0.000 0.899 6 Q HN -0.006 nan 8.270 nan 0.000 0.442 7 Q N 0.361 120.149 119.800 -0.020 0.000 2.079 7 Q HA -0.072 4.285 4.340 0.027 0.000 0.200 7 Q C -0.331 175.676 176.000 0.011 0.000 0.974 7 Q CA 1.762 57.568 55.803 0.006 0.000 0.840 7 Q CB 0.155 28.907 28.738 0.023 0.000 0.898 7 Q HN 0.285 nan 8.270 nan 0.000 0.430 8 D N -1.469 118.942 120.400 0.019 0.000 2.517 8 D HA 0.216 4.872 4.640 0.027 0.000 0.263 8 D C -2.249 174.104 176.300 0.087 0.000 1.233 8 D CA -1.781 52.247 54.000 0.047 0.000 0.849 8 D CB 1.258 42.090 40.800 0.053 0.000 1.261 8 D HN -0.034 nan 8.370 nan 0.000 0.516 9 P HA -0.165 nan 4.420 nan 0.000 0.216 9 P C 1.429 178.807 177.300 0.130 0.000 1.153 9 P CA 1.290 64.462 63.100 0.119 0.000 0.858 9 P CB 0.524 32.267 31.700 0.071 0.000 0.789 10 Q N -0.856 118.993 119.800 0.080 0.000 2.050 10 Q HA -0.111 4.246 4.340 0.027 0.000 0.202 10 Q C 2.136 178.172 176.000 0.059 0.000 0.980 10 Q CA 1.392 57.229 55.803 0.056 0.000 0.840 10 Q CB -0.797 27.963 28.738 0.036 0.000 0.898 10 Q HN 0.109 nan 8.270 nan 0.000 0.424 11 V N 0.520 120.479 119.914 0.075 0.000 2.358 11 V HA -0.236 3.900 4.120 0.027 0.000 0.246 11 V C 1.941 178.095 176.094 0.101 0.000 1.047 11 V CA 1.681 64.024 62.300 0.073 0.000 1.035 11 V CB -0.599 31.267 31.823 0.071 0.000 0.658 11 V HN 0.311 nan 8.190 nan 0.000 0.452 12 F N 1.614 121.565 119.950 0.002 0.000 2.126 12 F HA -0.175 4.358 4.527 0.010 0.000 0.299 12 F C 2.283 178.082 175.800 -0.001 0.000 1.096 12 F CA 1.362 59.362 58.000 0.001 0.000 1.255 12 F CB -0.665 38.335 39.000 -0.001 0.000 0.997 12 F HN 0.078 nan 8.300 nan 0.000 0.479 13 A N 0.316 123.091 122.820 -0.074 0.000 1.908 13 A HA -0.092 4.244 4.320 0.027 0.000 0.218 13 A C 2.428 179.910 177.584 -0.170 0.000 1.181 13 A CA 2.023 53.964 52.037 -0.159 0.000 0.627 13 A CB -1.580 17.404 19.000 -0.028 0.000 0.818 13 A HN 0.503 nan 8.150 nan 0.000 0.445 14 A N -0.324 122.439 122.820 -0.096 0.000 1.930 14 A HA -0.005 4.332 4.320 0.027 0.000 0.217 14 A C 2.111 179.637 177.584 -0.097 0.000 1.175 14 A CA 1.357 53.350 52.037 -0.073 0.000 0.627 14 A CB -0.549 18.432 19.000 -0.031 0.000 0.815 14 A HN 0.491 nan 8.150 nan 0.000 0.443 15 I N -0.327 120.170 120.570 -0.121 0.000 2.226 15 I HA -0.219 3.967 4.170 0.027 0.000 0.245 15 I C 2.447 178.450 176.117 -0.190 0.000 1.100 15 I CA 1.247 62.475 61.300 -0.120 0.000 1.374 15 I CB -0.298 37.659 38.000 -0.071 0.000 1.057 15 I HN 0.296 nan 8.210 nan 0.000 0.413 16 E N 0.579 120.561 120.200 -0.362 0.000 2.110 16 E HA -0.239 4.127 4.350 0.027 0.000 0.193 16 E C 2.152 178.638 176.600 -0.190 0.000 0.988 16 E CA 1.161 57.348 56.400 -0.355 0.000 0.804 16 E CB -0.255 29.097 29.700 -0.580 0.000 0.745 16 E HN 0.591 nan 8.360 nan 0.000 0.458 17 Q N 0.366 120.073 119.800 -0.154 0.000 2.061 17 Q HA -0.224 4.132 4.340 0.027 0.000 0.204 17 Q C 2.173 178.141 176.000 -0.054 0.000 0.984 17 Q CA 1.754 57.506 55.803 -0.084 0.000 0.846 17 Q CB -0.139 28.560 28.738 -0.065 0.000 0.902 17 Q HN 0.100 nan 8.270 nan 0.000 0.421 18 E N 1.012 121.181 120.200 -0.052 0.000 2.077 18 E HA -0.210 4.156 4.350 0.027 0.000 0.193 18 E C 1.825 178.420 176.600 -0.008 0.000 0.989 18 E CA 1.403 57.792 56.400 -0.019 0.000 0.800 18 E CB -0.092 29.599 29.700 -0.014 0.000 0.746 18 E HN 0.171 nan 8.360 nan 0.000 0.452 19 R N 0.133 120.612 120.500 -0.036 0.000 2.091 19 R HA -0.144 4.212 4.340 0.027 0.000 0.238 19 R C 2.146 178.434 176.300 -0.020 0.000 1.136 19 R CA 1.952 58.034 56.100 -0.031 0.000 0.959 19 R CB -0.059 30.204 30.300 -0.061 0.000 0.856 19 R HN 0.085 nan 8.270 nan 0.000 0.437 20 K N -0.353 120.029 120.400 -0.030 0.000 2.103 20 K HA -0.117 4.220 4.320 0.027 0.000 0.204 20 K C 2.257 178.882 176.600 0.041 0.000 1.052 20 K CA 1.065 57.349 56.287 -0.005 0.000 0.945 20 K CB -0.166 32.318 32.500 -0.028 0.000 0.722 20 K HN 0.115 nan 8.250 nan 0.000 0.443 21 R N 1.558 122.073 120.500 0.026 0.000 2.083 21 R HA -0.186 4.171 4.340 0.027 0.000 0.237 21 R C 2.093 178.427 176.300 0.058 0.000 1.137 21 R CA 1.724 57.847 56.100 0.038 0.000 0.951 21 R CB -0.068 30.249 30.300 0.028 0.000 0.851 21 R HN 0.285 nan 8.270 nan 0.000 0.434 22 Q N -1.284 118.556 119.800 0.067 0.000 2.181 22 Q HA -0.243 4.114 4.340 0.027 0.000 0.205 22 Q C 1.888 177.881 176.000 -0.013 0.000 0.980 22 Q CA 1.970 57.829 55.803 0.094 0.000 0.862 22 Q CB -0.166 28.646 28.738 0.122 0.000 0.905 22 Q HN 0.560 nan 8.270 nan 0.000 0.429 23 H N -0.549 118.458 119.070 -0.105 0.000 2.448 23 H HA 0.111 4.683 4.556 0.027 0.000 0.292 23 H C 1.756 177.058 175.328 -0.044 0.000 1.035 23 H CA 1.226 57.201 56.048 -0.122 0.000 1.349 23 H CB 0.172 29.872 29.762 -0.105 0.000 1.425 23 H HN 0.216 nan 8.280 nan 0.000 0.539 24 A N 0.811 123.646 122.820 0.024 0.000 1.930 24 A HA 0.069 4.405 4.320 0.027 0.000 0.215 24 A C 0.932 178.508 177.584 -0.013 0.000 1.176 24 A CA 0.392 52.435 52.037 0.010 0.000 0.632 24 A CB 0.065 19.103 19.000 0.064 0.000 0.819 24 A HN 0.137 nan 8.150 nan 0.000 0.445 25 K N 0.380 120.783 120.400 0.005 0.000 2.098 25 K HA 0.381 4.717 4.320 0.027 0.000 0.257 25 K C -0.417 176.193 176.600 0.017 0.000 0.999 25 K CA -0.513 55.788 56.287 0.023 0.000 0.924 25 K CB 0.799 33.323 32.500 0.040 0.000 1.028 25 K HN 0.135 nan 8.250 nan 0.000 0.466 26 I N 2.360 122.949 120.570 0.031 0.000 2.281 26 I HA 0.055 4.242 4.170 0.027 0.000 0.293 26 I C 0.487 176.613 176.117 0.015 0.000 1.085 26 I CA -0.547 60.767 61.300 0.023 0.000 1.257 26 I CB 0.169 38.214 38.000 0.075 0.000 1.430 26 I HN 0.480 nan 8.210 nan 0.000 0.489 27 E N 7.103 127.311 120.200 0.015 0.000 2.052 27 E HA 0.221 4.587 4.350 0.027 0.000 0.283 27 E C -0.002 176.582 176.600 -0.027 0.000 1.071 27 E CA 0.107 56.514 56.400 0.012 0.000 0.851 27 E CB 0.455 30.183 29.700 0.046 0.000 1.066 27 E HN 0.555 nan 8.360 nan 0.000 0.396 28 L N 5.045 126.258 121.223 -0.018 0.000 2.808 28 L HA 0.349 4.706 4.340 0.027 0.000 0.246 28 L C 0.298 177.160 176.870 -0.014 0.000 1.153 28 L CA -0.409 54.419 54.840 -0.019 0.000 0.956 28 L CB 0.097 42.146 42.059 -0.016 0.000 1.270 28 L HN 0.523 nan 8.230 nan 0.000 0.528 29 I N 1.229 121.791 120.570 -0.014 0.000 2.752 29 I HA -0.114 4.073 4.170 0.027 0.000 0.286 29 I C 1.666 177.800 176.117 0.028 0.000 1.180 29 I CA 0.055 61.357 61.300 0.004 0.000 1.404 29 I CB 1.196 39.195 38.000 -0.002 0.000 1.389 29 I HN 0.190 nan 8.210 nan 0.000 0.549 30 A N 4.692 127.557 122.820 0.076 0.000 2.070 30 A HA -0.147 4.190 4.320 0.027 0.000 0.220 30 A C 2.146 179.879 177.584 0.249 0.000 1.159 30 A CA 1.789 53.923 52.037 0.161 0.000 0.656 30 A CB -0.393 18.683 19.000 0.127 0.000 0.800 30 A HN 0.800 nan 8.150 nan 0.000 0.453 31 S N -0.899 114.897 115.700 0.160 0.000 2.575 31 S HA 0.183 4.669 4.470 0.027 0.000 0.215 31 S C 0.392 174.965 174.600 -0.046 0.000 0.966 31 S CA -0.293 57.887 58.200 -0.034 0.000 0.911 31 S CB 0.062 63.247 63.200 -0.026 0.000 0.780 31 S HN 0.618 nan 8.310 nan 0.000 0.514 32 E N 1.070 121.244 120.200 -0.043 0.000 2.232 32 E HA 0.550 4.917 4.350 0.027 0.000 0.265 32 E C -0.594 175.884 176.600 -0.203 0.000 1.001 32 E CA -0.792 55.537 56.400 -0.118 0.000 0.870 32 E CB 0.792 30.398 29.700 -0.158 0.000 1.175 32 E HN 0.146 nan 8.360 nan 0.000 0.407 33 N N -0.048 118.458 118.700 -0.322 0.000 3.179 33 N HA 0.345 5.101 4.740 0.027 0.000 0.250 33 N C -1.940 173.219 175.510 -0.585 0.000 1.507 33 N CA -0.537 52.279 53.050 -0.391 0.000 0.883 33 N CB 0.984 39.417 38.487 -0.089 0.000 1.435 33 N HN 0.206 nan 8.380 nan 0.000 0.532 34 F N 1.064 121.022 119.950 0.014 0.000 2.477 34 F HA 0.377 4.916 4.527 0.020 0.000 0.335 34 F C 0.686 176.480 175.800 -0.010 0.000 1.130 34 F CA -0.876 57.123 58.000 -0.003 0.000 0.948 34 F CB 1.206 40.197 39.000 -0.015 0.000 1.154 34 F HN 0.138 nan 8.300 nan 0.000 0.439 35 V N 0.383 120.391 119.914 0.157 0.000 3.003 35 V HA 0.637 4.774 4.120 0.027 0.000 0.305 35 V C 0.412 176.549 176.094 0.070 0.000 1.078 35 V CA -0.843 61.506 62.300 0.083 0.000 1.083 35 V CB 1.063 32.915 31.823 0.049 0.000 1.039 35 V HN 0.838 nan 8.190 nan 0.000 0.481 36 S N 2.941 118.662 115.700 0.035 0.000 2.600 36 S HA 0.325 4.812 4.470 0.027 0.000 0.265 36 S C 0.905 175.516 174.600 0.017 0.000 1.325 36 S CA -0.183 58.029 58.200 0.021 0.000 1.002 36 S CB 0.665 63.870 63.200 0.008 0.000 0.921 36 S HN 0.762 nan 8.310 nan 0.000 0.554 37 R N 0.762 121.269 120.500 0.012 0.000 2.120 37 R HA -0.056 4.300 4.340 0.027 0.000 0.234 37 R C 2.573 178.876 176.300 0.005 0.000 1.123 37 R CA 1.236 57.342 56.100 0.010 0.000 0.975 37 R CB -0.963 29.342 30.300 0.007 0.000 0.866 37 R HN 0.824 nan 8.270 nan 0.000 0.446 38 A N 0.729 123.549 122.820 -0.001 0.000 1.883 38 A HA -0.141 4.196 4.320 0.027 0.000 0.217 38 A C 2.338 179.912 177.584 -0.016 0.000 1.186 38 A CA 1.491 53.523 52.037 -0.008 0.000 0.624 38 A CB -0.621 18.372 19.000 -0.011 0.000 0.822 38 A HN 0.117 nan 8.150 nan 0.000 0.444 39 V N -0.052 119.851 119.914 -0.019 0.000 2.287 39 V HA -0.346 3.790 4.120 0.027 0.000 0.248 39 V C 2.683 178.765 176.094 -0.021 0.000 1.053 39 V CA 2.394 64.675 62.300 -0.032 0.000 1.027 39 V CB -0.682 31.122 31.823 -0.032 0.000 0.646 39 V HN 0.590 nan 8.190 nan 0.000 0.447 40 M N -0.824 118.774 119.600 -0.003 0.000 2.117 40 M HA -0.225 4.272 4.480 0.027 0.000 0.262 40 M C 2.211 178.517 176.300 0.010 0.000 1.065 40 M CA 1.904 57.208 55.300 0.007 0.000 1.114 40 M CB -0.582 32.029 32.600 0.019 0.000 1.361 40 M HN 0.370 nan 8.290 nan 0.000 0.408 41 E N 0.382 120.586 120.200 0.006 0.000 2.085 41 E HA -0.200 4.167 4.350 0.027 0.000 0.194 41 E C 2.074 178.676 176.600 0.003 0.000 0.994 41 E CA 1.352 57.755 56.400 0.006 0.000 0.801 41 E CB -0.162 29.540 29.700 0.002 0.000 0.743 41 E HN 0.525 nan 8.360 nan 0.000 0.453 42 A N 1.165 123.982 122.820 -0.005 0.000 1.902 42 A HA -0.233 4.104 4.320 0.027 0.000 0.217 42 A C 2.030 179.626 177.584 0.019 0.000 1.181 42 A CA 1.265 53.298 52.037 -0.007 0.000 0.623 42 A CB -0.357 18.623 19.000 -0.033 0.000 0.818 42 A HN 0.189 nan 8.150 nan 0.000 0.443 43 Q N -0.953 118.859 119.800 0.019 0.000 2.224 43 Q HA -0.081 4.275 4.340 0.027 0.000 0.203 43 Q C 1.699 177.770 176.000 0.117 0.000 0.970 43 Q CA 1.048 56.891 55.803 0.067 0.000 0.865 43 Q CB -0.266 28.486 28.738 0.023 0.000 0.922 43 Q HN 0.653 nan 8.270 nan 0.000 0.445 44 G N 1.198 110.029 108.800 0.050 0.000 3.314 44 G HA2 0.042 4.018 3.960 0.027 0.000 0.238 44 G HA3 0.042 4.018 3.960 0.027 0.000 0.238 44 G C 0.340 175.236 174.900 -0.006 0.000 1.184 44 G CA 0.015 45.129 45.100 0.023 0.000 0.806 44 G HN 0.256 nan 8.290 nan 0.000 0.536 45 S N -0.789 114.911 115.700 0.000 0.000 2.707 45 S HA 0.286 4.772 4.470 0.027 0.000 0.276 45 S C 1.561 176.119 174.600 -0.071 0.000 1.179 45 S CA 0.042 58.228 58.200 -0.024 0.000 0.992 45 S CB 1.512 64.710 63.200 -0.004 0.000 1.030 45 S HN 0.529 nan 8.310 nan 0.000 0.554 46 V N -0.824 119.048 119.914 -0.071 0.000 3.383 46 V HA 0.034 4.170 4.120 0.027 0.000 0.272 46 V C 1.645 177.679 176.094 -0.100 0.000 1.181 46 V CA 0.869 63.113 62.300 -0.093 0.000 1.171 46 V CB -1.425 30.354 31.823 -0.072 0.000 0.800 46 V HN 0.684 nan 8.190 nan 0.000 0.515 47 L N 0.885 122.066 121.223 -0.070 0.000 2.362 47 L HA -0.063 4.293 4.340 0.027 0.000 0.219 47 L C 2.739 179.543 176.870 -0.110 0.000 1.134 47 L CA 2.214 57.030 54.840 -0.041 0.000 0.807 47 L CB -1.248 40.831 42.059 0.034 0.000 0.927 47 L HN 0.513 nan 8.230 nan 0.000 0.447 48 T N -0.869 113.482 114.554 -0.339 0.000 2.849 48 T HA -0.201 4.165 4.350 0.027 0.000 0.270 48 T C 1.591 176.106 174.700 -0.309 0.000 1.066 48 T CA 1.872 63.613 62.100 -0.598 0.000 1.130 48 T CB -0.378 67.933 68.868 -0.929 0.000 0.864 48 T HN 0.534 nan 8.240 nan 0.000 0.481 49 N N -0.053 118.519 118.700 -0.213 0.000 2.512 49 N HA 0.010 4.767 4.740 0.027 0.000 0.183 49 N C 0.385 175.811 175.510 -0.140 0.000 1.073 49 N CA 0.243 53.201 53.050 -0.153 0.000 0.911 49 N CB 0.117 38.539 38.487 -0.107 0.000 0.964 49 N HN 0.132 nan 8.380 nan 0.000 0.447 50 K N 0.835 121.144 120.400 -0.151 0.000 2.253 50 K HA 0.149 4.486 4.320 0.027 0.000 0.277 50 K C -1.425 175.029 176.600 -0.245 0.000 1.053 50 K CA -0.490 55.712 56.287 -0.141 0.000 0.892 50 K CB 0.138 32.589 32.500 -0.082 0.000 1.102 50 K HN -0.063 nan 8.250 nan 0.000 0.469 51 Y N 2.378 122.468 120.300 -0.349 0.000 2.465 51 Y HA 0.306 4.876 4.550 0.034 0.000 0.331 51 Y C 0.575 176.123 175.900 -0.586 0.000 1.102 51 Y CA 0.503 58.243 58.100 -0.601 0.000 1.358 51 Y CB 1.270 39.072 38.460 -1.097 0.000 1.213 51 Y HN 0.713 nan 8.280 nan 0.000 0.525 52 A N 4.113 126.835 122.820 -0.162 0.000 2.843 52 A HA 0.249 4.586 4.320 0.027 0.000 0.248 52 A C -0.202 177.362 177.584 -0.033 0.000 0.904 52 A CA -0.596 51.418 52.037 -0.038 0.000 1.091 52 A CB -0.326 18.626 19.000 -0.079 0.000 1.208 52 A HN 0.770 nan 8.150 nan 0.000 0.476 53 E N 0.283 120.547 120.200 0.106 0.000 2.442 53 E HA 0.368 4.734 4.350 0.027 0.000 0.262 53 E C 1.029 177.524 176.600 -0.176 0.000 1.004 53 E CA 1.360 57.584 56.400 -0.293 0.000 0.928 53 E CB 0.541 30.077 29.700 -0.272 0.000 0.937 53 E HN 1.102 nan 8.360 nan 0.000 0.446 54 G N 1.516 110.059 108.800 -0.429 0.000 2.451 54 G HA2 -0.223 3.753 3.960 0.027 0.000 0.208 54 G HA3 -0.223 3.753 3.960 0.027 0.000 0.208 54 G C -1.433 173.146 174.900 -0.535 0.000 1.248 54 G CA -0.655 44.386 45.100 -0.098 0.000 0.989 54 G HN 0.443 nan 8.290 nan 0.000 0.559 55 Y N -0.080 120.228 120.300 0.014 0.000 2.605 55 Y HA 0.601 5.168 4.550 0.029 0.000 0.343 55 Y C -2.046 173.849 175.900 -0.009 0.000 1.036 55 Y CA -1.831 56.287 58.100 0.029 0.000 1.065 55 Y CB 1.987 40.495 38.460 0.081 0.000 1.288 55 Y HN 0.427 nan 8.280 nan 0.000 0.481 56 P HA 0.019 nan 4.420 nan 0.000 0.260 56 P C 0.640 177.974 177.300 0.056 0.000 1.172 56 P CA 2.256 65.403 63.100 0.079 0.000 0.760 56 P CB 0.152 31.907 31.700 0.091 0.000 0.773 57 G N 3.275 112.081 108.800 0.009 0.000 2.212 57 G HA2 -0.279 3.697 3.960 0.027 0.000 0.266 57 G HA3 -0.279 3.697 3.960 0.027 0.000 0.266 57 G C 0.565 175.448 174.900 -0.027 0.000 0.978 57 G CA -0.191 44.904 45.100 -0.009 0.000 0.632 57 G HN 0.559 nan 8.290 nan 0.000 0.537 58 R N 0.055 120.533 120.500 -0.036 0.000 2.711 58 R HA 0.252 4.609 4.340 0.027 0.000 0.350 58 R C 0.424 176.556 176.300 -0.279 0.000 1.146 58 R CA -0.447 55.590 56.100 -0.105 0.000 1.190 58 R CB 0.372 30.669 30.300 -0.004 0.000 1.312 58 R HN 0.268 nan 8.270 nan 0.000 0.635 59 R N -0.013 120.329 120.500 -0.263 0.000 2.549 59 R HA 0.279 4.636 4.340 0.027 0.000 0.267 59 R C 0.317 176.339 176.300 -0.463 0.000 1.045 59 R CA -0.363 55.562 56.100 -0.290 0.000 1.115 59 R CB 0.531 30.791 30.300 -0.067 0.000 1.121 59 R HN 0.131 nan 8.270 nan 0.000 0.543 60 Y N -0.442 119.863 120.300 0.008 0.000 2.607 60 Y HA 0.279 4.844 4.550 0.026 0.000 0.266 60 Y C -0.482 175.171 175.900 -0.411 0.000 1.178 60 Y CA -0.204 57.800 58.100 -0.160 0.000 1.226 60 Y CB 0.217 38.569 38.460 -0.179 0.000 1.144 60 Y HN 0.382 nan 8.280 nan 0.000 0.528 61 Y N -0.862 119.469 120.300 0.051 0.000 2.492 61 Y HA 0.611 5.180 4.550 0.032 0.000 0.346 61 Y C 0.787 176.683 175.900 -0.006 0.000 0.997 61 Y CA -1.894 56.224 58.100 0.029 0.000 1.025 61 Y CB 1.328 39.812 38.460 0.041 0.000 1.263 61 Y HN 0.008 nan 8.280 nan 0.000 0.454 62 G N 0.093 108.977 108.800 0.139 0.000 2.684 62 G HA2 0.390 4.366 3.960 0.027 0.000 0.255 62 G HA3 0.390 4.366 3.960 0.027 0.000 0.255 62 G C 0.847 175.781 174.900 0.058 0.000 1.219 62 G CA -0.004 45.135 45.100 0.064 0.000 0.901 62 G HN 1.479 nan 8.290 nan 0.000 0.548 63 G N -2.218 106.581 108.800 -0.001 0.000 2.143 63 G HA2 -0.287 3.689 3.960 0.027 0.000 0.248 63 G HA3 -0.287 3.689 3.960 0.027 0.000 0.248 63 G C 0.893 175.759 174.900 -0.056 0.000 0.991 63 G CA 0.570 45.655 45.100 -0.026 0.000 0.689 63 G HN 0.932 nan 8.290 nan 0.000 0.522 64 C N 0.201 119.461 119.300 -0.067 0.000 2.673 64 C HA 0.336 4.812 4.460 0.027 0.000 0.274 64 C C 2.313 177.217 174.990 -0.143 0.000 1.276 64 C CA 0.444 59.421 59.018 -0.068 0.000 1.701 64 C CB -0.482 27.242 27.740 -0.026 0.000 1.836 64 C HN 0.652 nan 8.230 nan 0.000 0.596 65 E N 1.005 121.026 120.200 -0.298 0.000 2.086 65 E HA -0.238 4.128 4.350 0.027 0.000 0.200 65 E C 1.281 177.670 176.600 -0.351 0.000 1.012 65 E CA 2.014 58.156 56.400 -0.431 0.000 0.812 65 E CB -0.296 28.954 29.700 -0.750 0.000 0.743 65 E HN 0.804 nan 8.360 nan 0.000 0.453 66 Y N -0.556 119.745 120.300 0.001 0.000 2.314 66 Y HA -0.077 4.489 4.550 0.027 0.000 0.294 66 Y C 2.392 178.289 175.900 -0.005 0.000 1.119 66 Y CA 0.468 58.567 58.100 -0.002 0.000 1.179 66 Y CB -0.410 38.047 38.460 -0.006 0.000 1.025 66 Y HN 0.021 nan 8.280 nan 0.000 0.541 67 V N -1.562 118.412 119.914 0.100 0.000 2.490 67 V HA -0.227 3.909 4.120 0.027 0.000 0.250 67 V C 1.407 177.517 176.094 0.026 0.000 1.061 67 V CA 2.118 64.446 62.300 0.047 0.000 1.064 67 V CB -0.521 31.311 31.823 0.014 0.000 0.670 67 V HN 0.198 nan 8.190 nan 0.000 0.461 68 D N 0.917 121.322 120.400 0.009 0.000 2.117 68 D HA -0.092 4.565 4.640 0.027 0.000 0.197 68 D C 2.047 178.368 176.300 0.034 0.000 0.987 68 D CA 2.003 56.010 54.000 0.012 0.000 0.829 68 D CB -0.304 40.488 40.800 -0.013 0.000 0.961 68 D HN 0.550 nan 8.370 nan 0.000 0.460 69 I N 0.130 120.729 120.570 0.049 0.000 2.226 69 I HA -0.227 3.959 4.170 0.027 0.000 0.245 69 I C 2.366 178.515 176.117 0.053 0.000 1.100 69 I CA 0.561 61.898 61.300 0.062 0.000 1.374 69 I CB -0.169 37.889 38.000 0.096 0.000 1.057 69 I HN -0.098 nan 8.210 nan 0.000 0.413 70 V N 0.722 120.666 119.914 0.051 0.000 2.287 70 V HA -0.328 3.809 4.120 0.027 0.000 0.248 70 V C 2.499 178.610 176.094 0.029 0.000 1.053 70 V CA 2.321 64.640 62.300 0.032 0.000 1.027 70 V CB -0.658 31.179 31.823 0.024 0.000 0.646 70 V HN 0.491 nan 8.190 nan 0.000 0.447 71 E N -0.136 120.084 120.200 0.033 0.000 2.077 71 E HA -0.286 4.081 4.350 0.027 0.000 0.193 71 E C 2.173 178.813 176.600 0.066 0.000 0.989 71 E CA 1.470 57.897 56.400 0.045 0.000 0.800 71 E CB -0.060 29.669 29.700 0.048 0.000 0.746 71 E HN 0.564 nan 8.360 nan 0.000 0.452 72 E N 0.490 120.727 120.200 0.061 0.000 2.077 72 E HA -0.138 4.228 4.350 0.027 0.000 0.193 72 E C 2.029 178.667 176.600 0.063 0.000 0.989 72 E CA 0.906 57.343 56.400 0.062 0.000 0.800 72 E CB -0.213 29.519 29.700 0.053 0.000 0.746 72 E HN 0.320 nan 8.360 nan 0.000 0.452 73 L N -0.322 120.936 121.223 0.059 0.000 2.042 73 L HA -0.228 4.128 4.340 0.027 0.000 0.210 73 L C 2.432 179.365 176.870 0.105 0.000 1.076 73 L CA 1.304 56.182 54.840 0.063 0.000 0.749 73 L CB -0.587 41.498 42.059 0.044 0.000 0.893 73 L HN 0.195 nan 8.230 nan 0.000 0.432 74 A N 0.073 122.962 122.820 0.114 0.000 1.877 74 A HA -0.207 4.130 4.320 0.027 0.000 0.216 74 A C 2.380 180.138 177.584 0.290 0.000 1.186 74 A CA 1.556 53.731 52.037 0.230 0.000 0.620 74 A CB -0.473 18.601 19.000 0.124 0.000 0.822 74 A HN 0.329 nan 8.150 nan 0.000 0.443 75 R N -0.630 119.960 120.500 0.149 0.000 2.073 75 R HA -0.096 4.261 4.340 0.027 0.000 0.234 75 R C 2.061 178.384 176.300 0.038 0.000 1.134 75 R CA 1.332 57.474 56.100 0.070 0.000 0.952 75 R CB -0.352 29.961 30.300 0.022 0.000 0.850 75 R HN 0.474 nan 8.270 nan 0.000 0.433 76 E N 0.757 120.987 120.200 0.050 0.000 2.072 76 E HA -0.140 4.226 4.350 0.027 0.000 0.191 76 E C 2.048 178.659 176.600 0.019 0.000 0.985 76 E CA 1.104 57.522 56.400 0.030 0.000 0.801 76 E CB -0.100 29.619 29.700 0.033 0.000 0.750 76 E HN 0.305 nan 8.360 nan 0.000 0.452 77 R N 0.520 121.054 120.500 0.057 0.000 2.092 77 R HA -0.017 4.339 4.340 0.027 0.000 0.231 77 R C 2.337 178.583 176.300 -0.089 0.000 1.119 77 R CA 1.157 57.279 56.100 0.037 0.000 0.970 77 R CB -0.295 30.096 30.300 0.152 0.000 0.864 77 R HN 0.099 nan 8.270 nan 0.000 0.440 78 A N 1.404 124.137 122.820 -0.146 0.000 1.933 78 A HA -0.191 4.145 4.320 0.027 0.000 0.218 78 A C 1.864 179.396 177.584 -0.086 0.000 1.175 78 A CA 1.412 53.251 52.037 -0.330 0.000 0.628 78 A CB -0.204 18.578 19.000 -0.365 0.000 0.814 78 A HN 0.185 nan 8.150 nan 0.000 0.444 79 K N -0.801 119.569 120.400 -0.051 0.000 2.097 79 K HA -0.133 4.204 4.320 0.027 0.000 0.205 79 K C 2.345 178.924 176.600 -0.034 0.000 1.050 79 K CA 1.385 57.663 56.287 -0.014 0.000 0.938 79 K CB -0.135 32.359 32.500 -0.010 0.000 0.718 79 K HN 0.635 nan 8.250 nan 0.000 0.442 80 Q N 0.820 120.581 119.800 -0.064 0.000 2.084 80 Q HA -0.126 4.231 4.340 0.027 0.000 0.202 80 Q C 2.036 177.941 176.000 -0.159 0.000 0.978 80 Q CA 1.190 56.943 55.803 -0.084 0.000 0.844 80 Q CB 0.046 28.743 28.738 -0.069 0.000 0.898 80 Q HN 0.294 nan 8.270 nan 0.000 0.426 81 L N -0.948 120.104 121.223 -0.285 0.000 2.056 81 L HA -0.149 4.208 4.340 0.027 0.000 0.207 81 L C 1.392 177.874 176.870 -0.646 0.000 1.078 81 L CA 1.135 55.628 54.840 -0.578 0.000 0.749 81 L CB -0.042 41.427 42.059 -0.983 0.000 0.901 81 L HN 0.264 nan 8.230 nan 0.000 0.433 82 F N -1.428 118.452 119.950 -0.115 0.000 2.706 82 F HA 0.327 4.869 4.527 0.025 0.000 0.308 82 F C 1.585 177.346 175.800 -0.065 0.000 1.095 82 F CA 0.324 58.272 58.000 -0.087 0.000 1.244 82 F CB 0.130 39.059 39.000 -0.118 0.000 1.063 82 F HN 0.049 nan 8.300 nan 0.000 0.582 83 G N 1.328 110.167 108.800 0.066 0.000 2.198 83 G HA2 -0.126 3.850 3.960 0.027 0.000 0.260 83 G HA3 -0.126 3.850 3.960 0.027 0.000 0.260 83 G C 0.307 175.226 174.900 0.032 0.000 1.025 83 G CA 0.047 45.166 45.100 0.030 0.000 0.769 83 G HN 0.650 nan 8.290 nan 0.000 0.507 84 A N -0.697 122.153 122.820 0.049 0.000 2.340 84 A HA 0.715 5.052 4.320 0.027 0.000 0.268 84 A C 1.102 178.703 177.584 0.029 0.000 1.100 84 A CA 0.614 52.669 52.037 0.029 0.000 0.803 84 A CB 0.474 19.487 19.000 0.021 0.000 1.043 84 A HN 0.439 nan 8.150 nan 0.000 0.488 85 E N -0.619 119.604 120.200 0.038 0.000 2.216 85 E HA -0.046 4.320 4.350 0.027 0.000 0.192 85 E C -0.139 176.533 176.600 0.120 0.000 0.988 85 E CA 1.024 57.456 56.400 0.054 0.000 0.834 85 E CB 0.065 29.785 29.700 0.033 0.000 0.772 85 E HN 0.750 nan 8.360 nan 0.000 0.479 86 H N -1.153 117.922 119.070 0.008 0.000 2.974 86 H HA 0.555 5.129 4.556 0.029 0.000 0.366 86 H C -1.762 173.580 175.328 0.024 0.000 1.155 86 H CA -0.570 55.488 56.048 0.016 0.000 1.186 86 H CB 1.644 31.419 29.762 0.021 0.000 1.799 86 H HN -0.016 nan 8.280 nan 0.000 0.541 87 A N 3.938 126.402 122.820 -0.593 0.000 2.386 87 A HA 0.466 4.803 4.320 0.027 0.000 0.311 87 A C -1.126 176.162 177.584 -0.494 0.000 1.068 87 A CA -0.854 50.954 52.037 -0.382 0.000 0.743 87 A CB 1.273 20.171 19.000 -0.169 0.000 1.258 87 A HN 0.716 nan 8.150 nan 0.000 0.429 88 N N 1.951 120.554 118.700 -0.162 0.000 2.483 88 N HA 0.306 5.063 4.740 0.027 0.000 0.267 88 N C 0.036 175.587 175.510 0.067 0.000 0.998 88 N CA -0.154 52.903 53.050 0.011 0.000 0.918 88 N CB 1.938 40.500 38.487 0.125 0.000 1.215 88 N HN 0.710 nan 8.380 nan 0.000 0.500 89 V N 1.344 121.320 119.914 0.104 0.000 3.542 89 V HA 0.217 4.353 4.120 0.027 0.000 0.296 89 V C 1.261 177.397 176.094 0.070 0.000 1.364 89 V CA 0.351 62.720 62.300 0.115 0.000 1.118 89 V CB -0.067 31.852 31.823 0.160 0.000 0.972 89 V HN 0.535 nan 8.190 nan 0.000 0.430 90 Q N 0.656 120.495 119.800 0.066 0.000 2.389 90 Q HA 0.173 4.529 4.340 0.027 0.000 0.204 90 Q C -1.614 174.326 176.000 -0.101 0.000 0.944 90 Q CA -0.480 55.313 55.803 -0.016 0.000 0.908 90 Q CB -0.771 27.951 28.738 -0.027 0.000 1.002 90 Q HN 0.559 nan 8.270 nan 0.000 0.493 91 P HA -0.098 nan 4.420 nan 0.000 0.264 91 P C -0.079 177.188 177.300 -0.055 0.000 1.193 91 P CA 0.520 63.561 63.100 -0.099 0.000 0.763 91 P CB 0.446 32.131 31.700 -0.026 0.000 0.810 92 H N 0.572 119.636 119.070 -0.010 0.000 2.489 92 H HA -0.004 4.569 4.556 0.027 0.000 0.293 92 H C 1.005 176.326 175.328 -0.012 0.000 1.066 92 H CA 1.211 57.243 56.048 -0.027 0.000 1.305 92 H CB 0.054 29.795 29.762 -0.034 0.000 1.386 92 H HN 0.507 nan 8.280 nan 0.000 0.551 93 S N -2.971 112.799 115.700 0.117 0.000 2.636 93 S HA 0.393 4.879 4.470 0.027 0.000 0.266 93 S C 1.307 175.958 174.600 0.086 0.000 1.147 93 S CA -0.383 57.884 58.200 0.111 0.000 0.815 93 S CB 1.050 64.309 63.200 0.097 0.000 1.119 93 S HN 0.098 nan 8.310 nan 0.000 0.470 94 G N 0.745 109.603 108.800 0.097 0.000 2.422 94 G HA2 0.096 4.073 3.960 0.027 0.000 0.218 94 G HA3 0.096 4.073 3.960 0.027 0.000 0.218 94 G C 1.531 176.465 174.900 0.055 0.000 1.146 94 G CA 1.208 46.326 45.100 0.031 0.000 0.769 94 G HN 1.371 nan 8.290 nan 0.000 0.547 95 A N 0.268 123.152 122.820 0.107 0.000 1.883 95 A HA -0.146 4.190 4.320 0.027 0.000 0.217 95 A C 2.377 180.019 177.584 0.096 0.000 1.186 95 A CA 2.274 54.416 52.037 0.174 0.000 0.624 95 A CB -0.447 18.661 19.000 0.180 0.000 0.822 95 A HN 0.350 nan 8.150 nan 0.000 0.444 96 Q N -0.664 119.150 119.800 0.024 0.000 2.172 96 Q HA 0.145 4.501 4.340 0.027 0.000 0.200 96 Q C 2.260 178.230 176.000 -0.049 0.000 0.964 96 Q CA 1.462 57.239 55.803 -0.045 0.000 0.855 96 Q CB -0.617 28.099 28.738 -0.037 0.000 0.918 96 Q HN 0.653 nan 8.270 nan 0.000 0.444 97 A N 0.786 123.589 122.820 -0.027 0.000 1.877 97 A HA -0.224 4.112 4.320 0.027 0.000 0.216 97 A C 1.790 179.313 177.584 -0.103 0.000 1.186 97 A CA 1.740 53.748 52.037 -0.048 0.000 0.620 97 A CB -0.587 18.392 19.000 -0.035 0.000 0.822 97 A HN 0.337 nan 8.150 nan 0.000 0.443 98 N N -0.533 118.104 118.700 -0.105 0.000 2.084 98 N HA -0.163 4.594 4.740 0.027 0.000 0.190 98 N C 1.731 176.996 175.510 -0.408 0.000 1.030 98 N CA 1.693 54.559 53.050 -0.306 0.000 0.849 98 N CB -0.554 37.844 38.487 -0.149 0.000 1.012 98 N HN 0.625 nan 8.380 nan 0.000 0.423 99 M N 0.619 120.221 119.600 0.003 0.000 2.106 99 M HA -0.201 4.296 4.480 0.027 0.000 0.259 99 M C 1.809 178.159 176.300 0.083 0.000 1.068 99 M CA 1.883 57.260 55.300 0.128 0.000 1.100 99 M CB -0.039 32.409 32.600 -0.253 0.000 1.351 99 M HN 0.203 nan 8.290 nan 0.000 0.404 100 A N -0.764 122.038 122.820 -0.031 0.000 1.930 100 A HA -0.081 4.256 4.320 0.027 0.000 0.217 100 A C 2.002 179.575 177.584 -0.019 0.000 1.175 100 A CA 1.643 53.689 52.037 0.014 0.000 0.627 100 A CB -0.936 18.057 19.000 -0.012 0.000 0.815 100 A HN 0.431 nan 8.150 nan 0.000 0.443 101 V N -0.976 118.818 119.914 -0.200 0.000 2.307 101 V HA -0.250 3.886 4.120 0.027 0.000 0.245 101 V C 2.420 178.337 176.094 -0.295 0.000 1.045 101 V CA 1.784 63.830 62.300 -0.423 0.000 1.024 101 V CB -1.113 30.387 31.823 -0.538 0.000 0.651 101 V HN 0.624 nan 8.190 nan 0.000 0.449 102 Y N -0.706 119.518 120.300 -0.127 0.000 2.128 102 Y HA -0.229 4.338 4.550 0.029 0.000 0.284 102 Y C 2.317 178.202 175.900 -0.025 0.000 1.154 102 Y CA 1.074 59.077 58.100 -0.162 0.000 1.149 102 Y CB -1.323 37.145 38.460 0.013 0.000 0.976 102 Y HN 0.279 nan 8.280 nan 0.000 0.505 103 F N 0.695 120.743 119.950 0.164 0.000 2.202 103 F HA -0.222 4.322 4.527 0.029 0.000 0.301 103 F C 2.198 178.004 175.800 0.010 0.000 1.082 103 F CA 1.931 60.009 58.000 0.130 0.000 1.313 103 F CB -0.495 38.563 39.000 0.096 0.000 1.024 103 F HN -0.033 nan 8.300 nan 0.000 0.495 104 T N -0.520 114.013 114.554 -0.036 0.000 2.737 104 T HA -0.117 4.250 4.350 0.027 0.000 0.265 104 T C 1.936 176.485 174.700 -0.252 0.000 1.038 104 T CA 2.038 64.037 62.100 -0.169 0.000 1.144 104 T CB -0.495 68.224 68.868 -0.248 0.000 0.866 104 T HN 0.245 nan 8.240 nan 0.000 0.434 105 V N -1.699 118.011 119.914 -0.341 0.000 3.661 105 V HA 0.481 4.618 4.120 0.027 0.000 0.271 105 V C 0.394 176.368 176.094 -0.201 0.000 1.315 105 V CA -0.131 61.951 62.300 -0.364 0.000 1.072 105 V CB -0.508 30.872 31.823 -0.738 0.000 0.830 105 V HN 0.228 nan 8.190 nan 0.000 0.443 106 L N 0.851 121.968 121.223 -0.177 0.000 2.334 106 L HA 0.671 5.028 4.340 0.027 0.000 0.273 106 L C -0.141 176.754 176.870 0.041 0.000 1.013 106 L CA -0.454 54.320 54.840 -0.111 0.000 0.816 106 L CB 2.023 43.863 42.059 -0.365 0.000 1.278 106 L HN 0.116 nan 8.230 nan 0.000 0.431 107 E N 0.070 120.326 120.200 0.092 0.000 2.227 107 E HA 0.195 4.561 4.350 0.027 0.000 0.268 107 E C -0.609 176.148 176.600 0.262 0.000 0.990 107 E CA -0.806 55.682 56.400 0.147 0.000 0.856 107 E CB 1.205 30.952 29.700 0.079 0.000 1.159 107 E HN 0.453 nan 8.360 nan 0.000 0.401 108 H N 0.867 120.010 119.070 0.122 0.000 3.167 108 H HA -0.111 4.462 4.556 0.027 0.000 0.306 108 H C 0.872 176.231 175.328 0.051 0.000 0.965 108 H CA 1.931 57.998 56.048 0.031 0.000 1.408 108 H CB 0.180 29.935 29.762 -0.012 0.000 1.406 108 H HN 0.835 nan 8.280 nan 0.000 0.576 109 G N 4.488 113.030 108.800 -0.430 0.000 2.176 109 G HA2 -0.256 3.721 3.960 0.027 0.000 0.253 109 G HA3 -0.256 3.721 3.960 0.027 0.000 0.253 109 G C 0.069 174.924 174.900 -0.075 0.000 0.979 109 G CA 0.249 45.173 45.100 -0.294 0.000 0.641 109 G HN 0.694 nan 8.290 nan 0.000 0.530 110 D N 1.372 121.787 120.400 0.025 0.000 2.449 110 D HA 0.405 5.062 4.640 0.027 0.000 0.236 110 D C 0.900 177.147 176.300 -0.089 0.000 1.149 110 D CA 0.810 54.801 54.000 -0.014 0.000 0.878 110 D CB 0.677 41.466 40.800 -0.019 0.000 1.198 110 D HN 0.128 nan 8.370 nan 0.000 0.446 111 T N 1.321 115.804 114.554 -0.117 0.000 2.832 111 T HA 0.397 4.764 4.350 0.027 0.000 0.296 111 T C 0.041 174.556 174.700 -0.308 0.000 0.968 111 T CA -0.501 61.490 62.100 -0.180 0.000 1.107 111 T CB 0.755 69.568 68.868 -0.092 0.000 0.916 111 T HN -0.001 nan 8.240 nan 0.000 0.517 112 V N 4.076 123.667 119.914 -0.539 0.000 2.735 112 V HA 0.544 4.680 4.120 0.027 0.000 0.310 112 V C -0.711 175.068 176.094 -0.525 0.000 1.061 112 V CA -1.048 60.817 62.300 -0.725 0.000 0.913 112 V CB 1.977 32.871 31.823 -1.547 0.000 1.005 112 V HN 0.672 nan 8.190 nan 0.000 0.428 113 L N 3.703 124.799 121.223 -0.212 0.000 2.298 113 L HA 0.958 5.315 4.340 0.027 0.000 0.284 113 L C 0.206 177.182 176.870 0.177 0.000 1.013 113 L CA 0.493 55.348 54.840 0.025 0.000 0.824 113 L CB 0.954 43.100 42.059 0.145 0.000 1.221 113 L HN 0.816 nan 8.230 nan 0.000 0.418 114 G N 3.973 112.867 108.800 0.157 0.000 2.730 114 G HA2 0.433 4.409 3.960 0.027 0.000 0.289 114 G HA3 0.433 4.409 3.960 0.027 0.000 0.289 114 G C -1.212 173.341 174.900 -0.579 0.000 1.341 114 G CA -0.975 44.161 45.100 0.060 0.000 0.932 114 G HN 0.647 nan 8.290 nan 0.000 0.481 115 M N 1.759 120.937 119.600 -0.703 0.000 2.219 115 M HA 0.138 4.634 4.480 0.027 0.000 0.353 115 M C 0.621 176.620 176.300 -0.502 0.000 1.304 115 M CA -0.606 54.102 55.300 -0.986 0.000 1.115 115 M CB 0.352 32.724 32.600 -0.379 0.000 1.664 115 M HN 0.599 nan 8.290 nan 0.000 0.459 116 N N 3.924 122.302 118.700 -0.537 0.000 2.217 116 N HA -0.110 4.646 4.740 0.027 0.000 0.268 116 N C 0.465 175.800 175.510 -0.292 0.000 1.290 116 N CA 0.238 53.022 53.050 -0.445 0.000 0.831 116 N CB 0.537 38.559 38.487 -0.774 0.000 1.057 116 N HN 0.712 nan 8.380 nan 0.000 0.481 117 L N 3.211 124.293 121.223 -0.236 0.000 2.131 117 L HA -0.123 4.234 4.340 0.027 0.000 0.210 117 L C 2.246 179.039 176.870 -0.127 0.000 1.092 117 L CA 1.396 56.132 54.840 -0.173 0.000 0.759 117 L CB -0.419 41.523 42.059 -0.195 0.000 0.903 117 L HN 0.544 nan 8.230 nan 0.000 0.435 118 S N -2.261 113.364 115.700 -0.125 0.000 2.561 118 S HA -0.014 4.473 4.470 0.027 0.000 0.225 118 S C 1.336 176.006 174.600 0.117 0.000 0.977 118 S CA 0.360 58.543 58.200 -0.028 0.000 0.926 118 S CB -0.416 62.769 63.200 -0.025 0.000 0.769 118 S HN 0.586 nan 8.310 nan 0.000 0.533 119 H N -0.680 118.298 119.070 -0.153 0.000 2.652 119 H HA 0.320 4.892 4.556 0.027 0.000 0.274 119 H C 1.573 176.875 175.328 -0.043 0.000 1.021 119 H CA 0.151 56.131 56.048 -0.114 0.000 1.187 119 H CB 0.714 30.390 29.762 -0.143 0.000 1.505 119 H HN 0.498 nan 8.280 nan 0.000 0.530 120 G N 0.579 109.415 108.800 0.060 0.000 2.485 120 G HA2 -0.191 3.786 3.960 0.027 0.000 0.181 120 G HA3 -0.191 3.786 3.960 0.027 0.000 0.181 120 G C 0.734 175.655 174.900 0.036 0.000 0.999 120 G CA -0.359 44.773 45.100 0.054 0.000 0.721 120 G HN 0.519 nan 8.290 nan 0.000 0.486 121 G N -0.128 108.671 108.800 -0.002 0.000 2.614 121 G HA2 0.432 4.408 3.960 0.027 0.000 0.239 121 G HA3 0.432 4.408 3.960 0.027 0.000 0.239 121 G C -0.126 174.765 174.900 -0.015 0.000 1.240 121 G CA 0.234 45.367 45.100 0.056 0.000 0.842 121 G HN 0.471 nan 8.290 nan 0.000 0.584 122 H N 1.030 119.936 119.070 -0.274 0.000 2.488 122 H HA 0.137 4.709 4.556 0.028 0.000 0.347 122 H C 1.429 176.491 175.328 -0.443 0.000 1.174 122 H CA -0.867 54.889 56.048 -0.486 0.000 1.307 122 H CB 1.642 30.961 29.762 -0.738 0.000 1.517 122 H HN 0.314 nan 8.280 nan 0.000 0.554 123 L N 2.756 123.314 121.223 -1.110 0.000 2.051 123 L HA -0.229 4.127 4.340 0.027 0.000 0.214 123 L C 2.344 178.904 176.870 -0.517 0.000 1.076 123 L CA 2.540 56.933 54.840 -0.744 0.000 0.758 123 L CB -0.607 41.011 42.059 -0.736 0.000 0.890 123 L HN 0.841 nan 8.230 nan 0.000 0.433 124 T N -4.916 109.410 114.554 -0.380 0.000 3.194 124 T HA -0.036 4.330 4.350 0.027 0.000 0.251 124 T C 0.772 175.464 174.700 -0.013 0.000 1.132 124 T CA 0.505 62.548 62.100 -0.095 0.000 1.028 124 T CB -0.911 68.117 68.868 0.267 0.000 0.976 124 T HN 0.602 nan 8.240 nan 0.000 0.535 125 H N 0.540 119.461 119.070 -0.248 0.000 2.539 125 H HA 0.510 5.082 4.556 0.027 0.000 0.293 125 H C 1.373 176.073 175.328 -1.048 0.000 1.156 125 H CA -0.509 55.319 56.048 -0.367 0.000 1.012 125 H CB 0.080 29.805 29.762 -0.062 0.000 1.600 125 H HN 0.477 nan 8.280 nan 0.000 0.538 126 G N 0.916 108.895 108.800 -1.368 0.000 2.154 126 G HA2 -0.295 3.681 3.960 0.027 0.000 0.186 126 G HA3 -0.295 3.681 3.960 0.027 0.000 0.186 126 G C 0.264 174.816 174.900 -0.581 0.000 1.000 126 G CA 0.016 44.246 45.100 -1.451 0.000 0.664 126 G HN 0.430 nan 8.290 nan 0.000 0.513 127 S N 1.313 116.739 115.700 -0.457 0.000 2.546 127 S HA 0.387 4.874 4.470 0.027 0.000 0.290 127 S C 0.083 174.552 174.600 -0.218 0.000 1.290 127 S CA 0.032 58.059 58.200 -0.288 0.000 1.069 127 S CB 1.076 64.117 63.200 -0.264 0.000 0.846 127 S HN 0.208 nan 8.310 nan 0.000 0.495 128 P HA -0.014 nan 4.420 nan 0.000 0.234 128 P C 0.974 178.237 177.300 -0.063 0.000 1.167 128 P CA 0.689 63.735 63.100 -0.089 0.000 0.763 128 P CB -0.289 31.375 31.700 -0.060 0.000 0.835 129 V N -4.401 115.472 119.914 -0.068 0.000 3.542 129 V HA 0.284 4.420 4.120 0.027 0.000 0.296 129 V C 0.690 176.767 176.094 -0.028 0.000 1.364 129 V CA -0.410 61.870 62.300 -0.032 0.000 1.118 129 V CB -0.896 30.920 31.823 -0.012 0.000 0.972 129 V HN 0.013 nan 8.190 nan 0.000 0.430 130 N N 0.596 119.251 118.700 -0.076 0.000 2.384 130 N HA 0.244 5.001 4.740 0.027 0.000 0.301 130 N C 0.984 176.460 175.510 -0.058 0.000 1.133 130 N CA -0.152 52.863 53.050 -0.059 0.000 0.853 130 N CB 2.205 40.579 38.487 -0.188 0.000 1.241 130 N HN 0.197 nan 8.380 nan 0.000 0.502 131 F N 2.290 122.252 119.950 0.019 0.000 2.147 131 F HA -0.212 4.332 4.527 0.028 0.000 0.301 131 F C 2.274 178.112 175.800 0.065 0.000 1.084 131 F CA 1.583 59.610 58.000 0.044 0.000 1.268 131 F CB -1.102 37.950 39.000 0.086 0.000 1.009 131 F HN 0.453 nan 8.300 nan 0.000 0.486 132 S N 0.537 115.627 115.700 -1.015 0.000 2.359 132 S HA -0.101 4.386 4.470 0.027 0.000 0.224 132 S C 2.302 176.784 174.600 -0.197 0.000 1.035 132 S CA 1.095 58.930 58.200 -0.609 0.000 1.018 132 S CB -1.739 60.971 63.200 -0.817 0.000 0.876 132 S HN 0.585 nan 8.310 nan 0.000 0.448 133 G N 0.365 108.984 108.800 -0.301 0.000 2.511 133 G HA2 0.093 4.069 3.960 0.027 0.000 0.217 133 G HA3 0.093 4.069 3.960 0.027 0.000 0.217 133 G C 1.312 176.185 174.900 -0.046 0.000 1.133 133 G CA 0.661 45.685 45.100 -0.127 0.000 0.792 133 G HN 0.480 nan 8.290 nan 0.000 0.539 134 V N -0.039 119.838 119.914 -0.063 0.000 2.599 134 V HA -0.060 4.076 4.120 0.027 0.000 0.245 134 V C 2.560 178.616 176.094 -0.063 0.000 1.046 134 V CA 1.882 64.165 62.300 -0.029 0.000 1.065 134 V CB 0.324 32.155 31.823 0.013 0.000 0.703 134 V HN 0.409 nan 8.190 nan 0.000 0.464 135 Q N -0.730 118.973 119.800 -0.161 0.000 2.212 135 Q HA 0.039 4.395 4.340 0.027 0.000 0.199 135 Q C -0.096 175.479 176.000 -0.707 0.000 0.950 135 Q CA 1.081 56.638 55.803 -0.410 0.000 0.863 135 Q CB 0.185 28.552 28.738 -0.619 0.000 0.944 135 Q HN 0.640 nan 8.270 nan 0.000 0.465 136 Y N -0.694 119.597 120.300 -0.014 0.000 2.562 136 Y HA 0.400 4.966 4.550 0.027 0.000 0.343 136 Y C -0.525 175.345 175.900 -0.051 0.000 1.025 136 Y CA -1.936 56.109 58.100 -0.091 0.000 1.082 136 Y CB 0.841 39.209 38.460 -0.154 0.000 1.264 136 Y HN -0.151 nan 8.280 nan 0.000 0.478 137 N N 1.464 120.170 118.700 0.011 0.000 2.555 137 N HA 0.206 4.962 4.740 0.027 0.000 0.244 137 N C -1.731 173.725 175.510 -0.090 0.000 1.114 137 N CA -0.073 52.958 53.050 -0.031 0.000 0.963 137 N CB -0.334 38.112 38.487 -0.069 0.000 1.276 137 N HN 0.408 nan 8.380 nan 0.000 0.510 138 F N 2.578 122.462 119.950 -0.111 0.000 2.427 138 F HA 0.235 4.779 4.527 0.028 0.000 0.352 138 F C 0.756 176.452 175.800 -0.173 0.000 1.100 138 F CA -0.447 57.470 58.000 -0.138 0.000 1.191 138 F CB 0.781 39.697 39.000 -0.140 0.000 1.128 138 F HN 0.131 nan 8.300 nan 0.000 0.533 139 V N 0.863 120.722 119.914 -0.092 0.000 2.994 139 V HA 0.985 5.122 4.120 0.027 0.000 0.318 139 V C -0.518 175.530 176.094 -0.077 0.000 1.085 139 V CA -1.127 61.059 62.300 -0.190 0.000 0.998 139 V CB 1.425 32.928 31.823 -0.533 0.000 1.063 139 V HN 0.874 nan 8.190 nan 0.000 0.447 140 A N 1.893 124.653 122.820 -0.100 0.000 2.414 140 A HA 0.899 5.236 4.320 0.027 0.000 0.306 140 A C -1.017 176.528 177.584 -0.065 0.000 1.054 140 A CA -0.729 51.221 52.037 -0.144 0.000 0.724 140 A CB 1.438 20.308 19.000 -0.217 0.000 1.267 140 A HN 1.513 nan 8.150 nan 0.000 0.418 141 Y N 0.138 120.426 120.300 -0.021 0.000 2.453 141 Y HA 0.827 5.393 4.550 0.027 0.000 0.326 141 Y C 0.482 176.347 175.900 -0.058 0.000 1.186 141 Y CA -0.850 57.237 58.100 -0.022 0.000 1.200 141 Y CB 0.987 39.444 38.460 -0.006 0.000 1.247 141 Y HN 0.771 nan 8.280 nan 0.000 0.482 142 G N 0.488 109.395 108.800 0.177 0.000 2.568 142 G HA2 0.576 4.552 3.960 0.027 0.000 0.313 142 G HA3 0.576 4.552 3.960 0.027 0.000 0.313 142 G C -0.935 174.163 174.900 0.331 0.000 1.227 142 G CA -0.756 44.477 45.100 0.221 0.000 0.979 142 G HN 1.063 nan 8.290 nan 0.000 0.486 143 V N -1.601 118.585 119.914 0.452 0.000 2.863 143 V HA 0.462 4.599 4.120 0.027 0.000 0.307 143 V C 0.298 176.581 176.094 0.316 0.000 1.061 143 V CA -1.141 61.328 62.300 0.282 0.000 1.024 143 V CB 1.693 33.670 31.823 0.257 0.000 1.049 143 V HN 0.694 nan 8.190 nan 0.000 0.471 144 D N 3.082 123.604 120.400 0.203 0.000 2.455 144 D HA 0.140 4.796 4.640 0.027 0.000 0.241 144 D C -1.764 174.583 176.300 0.077 0.000 1.138 144 D CA -1.096 52.974 54.000 0.117 0.000 0.877 144 D CB 1.995 42.822 40.800 0.044 0.000 1.187 144 D HN 0.436 nan 8.370 nan 0.000 0.451 145 P HA -0.052 nan 4.420 nan 0.000 0.222 145 P C 0.630 177.771 177.300 -0.266 0.000 1.147 145 P CA 0.928 63.829 63.100 -0.331 0.000 0.790 145 P CB 0.459 31.782 31.700 -0.628 0.000 0.780 146 E N -1.072 118.963 120.200 -0.276 0.000 2.094 146 E HA -0.057 4.309 4.350 0.027 0.000 0.193 146 E C 1.923 178.225 176.600 -0.498 0.000 0.950 146 E CA 1.311 57.522 56.400 -0.315 0.000 0.842 146 E CB -0.486 29.113 29.700 -0.170 0.000 0.816 146 E HN 0.149 nan 8.360 nan 0.000 0.465 147 T N -2.610 111.758 114.554 -0.309 0.000 3.023 147 T HA -0.063 4.304 4.350 0.027 0.000 0.266 147 T C 0.222 174.831 174.700 -0.152 0.000 1.093 147 T CA 1.051 63.032 62.100 -0.199 0.000 1.129 147 T CB -0.450 68.393 68.868 -0.043 0.000 0.899 147 T HN 0.426 nan 8.240 nan 0.000 0.491 148 H N -0.847 118.278 119.070 0.092 0.000 3.010 148 H HA -0.105 4.467 4.556 0.028 0.000 0.272 148 H C -0.343 175.125 175.328 0.233 0.000 1.151 148 H CA 0.223 56.352 56.048 0.134 0.000 1.159 148 H CB -2.484 27.334 29.762 0.094 0.000 1.295 148 H HN 0.359 nan 8.280 nan 0.000 0.344 149 V N 1.390 121.467 119.914 0.271 0.000 2.607 149 V HA 0.125 4.261 4.120 0.027 0.000 0.289 149 V C 1.373 177.619 176.094 0.254 0.000 1.053 149 V CA -0.486 62.022 62.300 0.347 0.000 0.996 149 V CB 1.348 33.316 31.823 0.242 0.000 0.995 149 V HN 0.211 nan 8.190 nan 0.000 0.476 150 I N 3.557 124.239 120.570 0.186 0.000 2.996 150 I HA -0.089 4.097 4.170 0.027 0.000 0.310 150 I C 0.699 176.685 176.117 -0.218 0.000 1.225 150 I CA 0.659 61.870 61.300 -0.149 0.000 1.442 150 I CB 0.035 37.737 38.000 -0.497 0.000 1.334 150 I HN 0.644 nan 8.210 nan 0.000 0.550 151 D N 6.991 127.311 120.400 -0.132 0.000 2.393 151 D HA 0.049 4.705 4.640 0.027 0.000 0.232 151 D C 0.573 176.737 176.300 -0.226 0.000 1.192 151 D CA -0.049 53.906 54.000 -0.075 0.000 0.882 151 D CB 0.455 41.277 40.800 0.036 0.000 1.038 151 D HN 0.331 nan 8.370 nan 0.000 0.499 152 Y N 1.570 121.791 120.300 -0.132 0.000 2.352 152 Y HA -0.114 4.452 4.550 0.027 0.000 0.292 152 Y C 1.992 177.779 175.900 -0.188 0.000 1.136 152 Y CA 0.651 58.597 58.100 -0.256 0.000 1.227 152 Y CB 0.228 38.527 38.460 -0.269 0.000 0.991 152 Y HN 0.389 nan 8.280 nan 0.000 0.545 153 D N -0.155 120.254 120.400 0.016 0.000 2.144 153 D HA -0.172 4.484 4.640 0.027 0.000 0.200 153 D C 1.571 177.863 176.300 -0.013 0.000 0.978 153 D CA 1.462 55.461 54.000 -0.002 0.000 0.833 153 D CB -0.248 40.560 40.800 0.013 0.000 0.961 153 D HN 0.397 nan 8.370 nan 0.000 0.470 154 D N 0.365 120.758 120.400 -0.011 0.000 2.117 154 D HA -0.114 4.543 4.640 0.027 0.000 0.198 154 D C 2.126 178.429 176.300 0.005 0.000 0.982 154 D CA 0.499 54.512 54.000 0.023 0.000 0.828 154 D CB 0.162 41.005 40.800 0.071 0.000 0.967 154 D HN -0.092 nan 8.370 nan 0.000 0.464 155 V N 0.491 120.329 119.914 -0.127 0.000 2.287 155 V HA -0.242 3.894 4.120 0.027 0.000 0.248 155 V C 2.631 178.659 176.094 -0.110 0.000 1.053 155 V CA 2.063 64.216 62.300 -0.246 0.000 1.027 155 V CB -0.605 30.797 31.823 -0.701 0.000 0.646 155 V HN 0.221 nan 8.190 nan 0.000 0.447 156 R N -0.151 120.290 120.500 -0.099 0.000 2.073 156 R HA -0.216 4.141 4.340 0.027 0.000 0.234 156 R C 2.453 178.747 176.300 -0.010 0.000 1.134 156 R CA 2.071 58.143 56.100 -0.048 0.000 0.952 156 R CB -0.267 30.008 30.300 -0.043 0.000 0.850 156 R HN 0.691 nan 8.270 nan 0.000 0.433 157 E N 0.190 120.390 120.200 -0.000 0.000 2.051 157 E HA -0.198 4.169 4.350 0.027 0.000 0.192 157 E C 1.638 178.254 176.600 0.025 0.000 0.991 157 E CA 1.089 57.493 56.400 0.007 0.000 0.799 157 E CB 0.177 29.885 29.700 0.013 0.000 0.748 157 E HN 0.126 nan 8.360 nan 0.000 0.449 158 K N 0.353 120.804 120.400 0.085 0.000 2.063 158 K HA -0.151 4.186 4.320 0.027 0.000 0.208 158 K C 2.080 178.793 176.600 0.189 0.000 1.048 158 K CA 1.182 57.591 56.287 0.202 0.000 0.928 158 K CB -0.555 32.096 32.500 0.253 0.000 0.713 158 K HN 0.215 nan 8.250 nan 0.000 0.442 159 A N 1.553 124.439 122.820 0.110 0.000 1.902 159 A HA -0.174 4.163 4.320 0.027 0.000 0.217 159 A C 2.231 179.842 177.584 0.044 0.000 1.181 159 A CA 1.480 53.566 52.037 0.083 0.000 0.623 159 A CB -0.379 18.653 19.000 0.053 0.000 0.818 159 A HN 0.279 nan 8.150 nan 0.000 0.443 160 R N -1.335 119.172 120.500 0.012 0.000 2.115 160 R HA 0.005 4.361 4.340 0.027 0.000 0.226 160 R C 2.060 178.332 176.300 -0.047 0.000 1.100 160 R CA 1.126 57.218 56.100 -0.014 0.000 0.980 160 R CB -0.378 29.911 30.300 -0.018 0.000 0.875 160 R HN 0.494 nan 8.270 nan 0.000 0.445 161 L N 0.044 121.209 121.223 -0.097 0.000 2.023 161 L HA -0.094 4.262 4.340 0.027 0.000 0.205 161 L C 1.769 178.483 176.870 -0.261 0.000 1.073 161 L CA 1.891 56.592 54.840 -0.231 0.000 0.745 161 L CB -0.327 41.494 42.059 -0.396 0.000 0.900 161 L HN 0.177 nan 8.230 nan 0.000 0.435 162 H N 0.199 119.270 119.070 0.000 0.000 2.563 162 H HA 0.233 4.806 4.556 0.028 0.000 0.264 162 H C -0.012 175.307 175.328 -0.016 0.000 0.957 162 H CA 0.096 56.140 56.048 -0.008 0.000 1.173 162 H CB 0.211 29.968 29.762 -0.008 0.000 1.420 162 H HN 0.165 nan 8.280 nan 0.000 0.551 163 R N 0.579 121.123 120.500 0.074 0.000 3.127 163 R HA -0.106 4.250 4.340 0.027 0.000 0.247 163 R C -2.617 173.700 176.300 0.028 0.000 0.896 163 R CA -0.013 56.109 56.100 0.036 0.000 0.624 163 R CB -2.371 27.937 30.300 0.014 0.000 1.154 163 R HN 0.437 nan 8.270 nan 0.000 0.474 164 P HA 0.086 nan 4.420 nan 0.000 0.274 164 P C 0.614 177.903 177.300 -0.019 0.000 1.231 164 P CA -0.296 62.793 63.100 -0.020 0.000 0.790 164 P CB 0.895 32.581 31.700 -0.024 0.000 0.951 165 K N 0.785 121.160 120.400 -0.041 0.000 2.228 165 K HA 0.007 4.344 4.320 0.027 0.000 0.202 165 K C 0.262 176.899 176.600 0.062 0.000 1.051 165 K CA 0.554 56.844 56.287 0.005 0.000 0.960 165 K CB 0.005 32.505 32.500 -0.000 0.000 0.743 165 K HN 0.319 nan 8.250 nan 0.000 0.458 166 L N 0.957 122.175 121.223 -0.009 0.000 2.455 166 L HA 0.454 4.810 4.340 0.027 0.000 0.264 166 L C -1.550 175.327 176.870 0.012 0.000 0.968 166 L CA -0.598 54.262 54.840 0.033 0.000 0.827 166 L CB 1.919 43.943 42.059 -0.058 0.000 1.317 166 L HN -0.082 nan 8.230 nan 0.000 0.407 167 I N 4.945 125.580 120.570 0.109 0.000 2.404 167 I HA 0.507 4.693 4.170 0.027 0.000 0.293 167 I C -0.763 175.442 176.117 0.147 0.000 0.992 167 I CA -0.984 60.407 61.300 0.152 0.000 1.149 167 I CB 1.974 40.112 38.000 0.230 0.000 1.315 167 I HN 0.252 nan 8.210 nan 0.000 0.446 168 V N 5.561 125.559 119.914 0.140 0.000 2.398 168 V HA 0.693 4.829 4.120 0.027 0.000 0.286 168 V C 0.231 176.305 176.094 -0.034 0.000 1.026 168 V CA -0.411 61.910 62.300 0.034 0.000 0.868 168 V CB 1.432 33.248 31.823 -0.011 0.000 0.982 168 V HN 0.845 nan 8.190 nan 0.000 0.443 169 A N 4.192 126.874 122.820 -0.231 0.000 2.356 169 A HA 1.056 5.392 4.320 0.027 0.000 0.323 169 A C 0.031 177.519 177.584 -0.159 0.000 1.119 169 A CA 0.072 51.836 52.037 -0.455 0.000 0.790 169 A CB 1.552 19.846 19.000 -1.176 0.000 1.273 169 A HN 2.460 nan 8.150 nan 0.000 0.452 170 A N -0.779 122.020 122.820 -0.034 0.000 2.435 170 A HA 0.563 4.900 4.320 0.027 0.000 0.686 170 A C -0.296 177.405 177.584 0.194 0.000 0.139 170 A CA -0.035 52.078 52.037 0.127 0.000 0.026 170 A CB -1.463 17.621 19.000 0.140 0.000 3.973 170 A HN 2.957 nan 8.150 nan 0.000 0.548 171 A N -1.228 121.734 122.820 0.236 0.000 2.606 171 A HA 1.036 5.372 4.320 0.027 0.000 0.293 171 A C 0.532 178.191 177.584 0.125 0.000 1.082 171 A CA 0.473 52.633 52.037 0.206 0.000 0.685 171 A CB 0.618 19.729 19.000 0.185 0.000 1.284 171 A HN 2.627 nan 8.150 nan 0.000 0.408 172 A N -0.130 122.722 122.820 0.053 0.000 2.095 172 A HA 0.572 4.908 4.320 0.027 0.000 0.212 172 A C 1.086 178.467 177.584 -0.339 0.000 1.162 172 A CA 1.453 53.429 52.037 -0.101 0.000 0.753 172 A CB 0.027 19.102 19.000 0.126 0.000 0.840 172 A HN 2.280 nan 8.150 nan 0.000 0.468 173 A N -1.197 121.548 122.820 -0.124 0.000 3.292 173 A HA 0.502 4.838 4.320 0.027 0.000 0.231 173 A C -0.929 176.684 177.584 0.049 0.000 0.952 173 A CA -0.220 51.757 52.037 -0.100 0.000 1.044 173 A CB -0.130 18.829 19.000 -0.068 0.000 1.236 173 A HN 0.343 nan 8.150 nan 0.000 0.525 174 Y N 1.971 122.226 120.300 -0.076 0.000 2.345 174 Y HA 0.536 5.102 4.550 0.027 0.000 0.331 174 Y C -2.193 173.708 175.900 0.003 0.000 0.959 174 Y CA -2.313 55.788 58.100 0.001 0.000 1.204 174 Y CB 2.205 40.708 38.460 0.071 0.000 1.135 174 Y HN 0.279 nan 8.280 nan 0.000 0.477 175 P HA 0.072 nan 4.420 nan 0.000 0.249 175 P C -0.218 176.871 177.300 -0.353 0.000 1.229 175 P CA 0.635 63.557 63.100 -0.298 0.000 0.788 175 P CB 0.511 32.082 31.700 -0.214 0.000 1.072 176 R N -0.121 119.952 120.500 -0.711 0.000 2.832 176 R HA 0.477 4.833 4.340 0.027 0.000 0.271 176 R C 0.419 176.651 176.300 -0.114 0.000 0.996 176 R CA -1.497 54.351 56.100 -0.420 0.000 0.977 176 R CB 0.741 30.790 30.300 -0.419 0.000 1.168 176 R HN 0.007 nan 8.270 nan 0.000 0.482 177 I N 2.069 122.647 120.570 0.014 0.000 2.710 177 I HA -0.032 4.154 4.170 0.027 0.000 0.286 177 I C 0.532 176.750 176.117 0.170 0.000 1.181 177 I CA 0.584 61.906 61.300 0.035 0.000 1.430 177 I CB 0.299 38.166 38.000 -0.221 0.000 1.367 177 I HN 0.251 nan 8.210 nan 0.000 0.577 178 I N 5.639 126.313 120.570 0.174 0.000 2.353 178 I HA 0.106 4.293 4.170 0.027 0.000 0.293 178 I C 0.165 176.026 176.117 -0.426 0.000 0.992 178 I CA -0.339 60.972 61.300 0.018 0.000 1.268 178 I CB 0.983 38.940 38.000 -0.070 0.000 1.387 178 I HN 0.473 nan 8.210 nan 0.000 0.478 179 D N 6.376 126.722 120.400 -0.091 0.000 2.453 179 D HA 0.131 4.787 4.640 0.027 0.000 0.223 179 D C 0.712 176.950 176.300 -0.103 0.000 1.183 179 D CA 0.063 53.910 54.000 -0.256 0.000 0.933 179 D CB 0.333 40.861 40.800 -0.454 0.000 1.038 179 D HN 0.345 nan 8.370 nan 0.000 0.513 180 F N 1.772 121.722 119.950 0.001 0.000 2.325 180 F HA -0.065 4.479 4.527 0.027 0.000 0.299 180 F C 2.497 178.088 175.800 -0.348 0.000 1.090 180 F CA 0.453 58.420 58.000 -0.055 0.000 1.392 180 F CB -0.007 38.957 39.000 -0.060 0.000 1.053 180 F HN 0.433 nan 8.300 nan 0.000 0.521 181 A N 0.537 122.987 122.820 -0.617 0.000 1.902 181 A HA -0.198 4.139 4.320 0.027 0.000 0.217 181 A C 2.198 179.691 177.584 -0.152 0.000 1.181 181 A CA 1.573 53.294 52.037 -0.527 0.000 0.623 181 A CB -0.516 18.225 19.000 -0.431 0.000 0.818 181 A HN 0.291 nan 8.150 nan 0.000 0.443 182 K N -1.592 118.696 120.400 -0.186 0.000 2.057 182 K HA -0.049 4.288 4.320 0.027 0.000 0.206 182 K C 1.676 178.231 176.600 -0.076 0.000 1.050 182 K CA 1.333 57.500 56.287 -0.199 0.000 0.935 182 K CB -0.317 31.881 32.500 -0.504 0.000 0.715 182 K HN 0.462 nan 8.250 nan 0.000 0.439 183 F N 1.241 121.220 119.950 0.047 0.000 2.095 183 F HA -0.213 4.332 4.527 0.029 0.000 0.298 183 F C 2.625 178.476 175.800 0.085 0.000 1.104 183 F CA 1.382 59.438 58.000 0.093 0.000 1.232 183 F CB -0.211 38.885 39.000 0.161 0.000 0.987 183 F HN -0.060 nan 8.300 nan 0.000 0.475 184 R N 0.890 121.554 120.500 0.274 0.000 2.096 184 R HA -0.163 4.193 4.340 0.027 0.000 0.235 184 R C 2.039 178.422 176.300 0.138 0.000 1.127 184 R CA 1.776 58.003 56.100 0.211 0.000 0.968 184 R CB -0.767 29.673 30.300 0.234 0.000 0.861 184 R HN 0.420 nan 8.270 nan 0.000 0.440 185 E N -0.181 120.071 120.200 0.086 0.000 2.058 185 E HA -0.195 4.172 4.350 0.027 0.000 0.194 185 E C 1.873 178.494 176.600 0.035 0.000 0.997 185 E CA 1.785 58.212 56.400 0.044 0.000 0.801 185 E CB -0.152 29.549 29.700 0.001 0.000 0.746 185 E HN 0.434 nan 8.360 nan 0.000 0.450 186 I N 0.831 121.415 120.570 0.023 0.000 2.252 186 I HA -0.252 3.934 4.170 0.027 0.000 0.245 186 I C 2.606 178.754 176.117 0.053 0.000 1.102 186 I CA 0.970 62.278 61.300 0.013 0.000 1.385 186 I CB -0.357 37.619 38.000 -0.040 0.000 1.064 186 I HN 0.173 nan 8.210 nan 0.000 0.414 187 A N 0.687 123.570 122.820 0.105 0.000 1.883 187 A HA -0.275 4.061 4.320 0.027 0.000 0.217 187 A C 1.967 179.602 177.584 0.086 0.000 1.186 187 A CA 2.303 54.414 52.037 0.124 0.000 0.624 187 A CB -0.707 18.414 19.000 0.203 0.000 0.822 187 A HN 0.355 nan 8.150 nan 0.000 0.444 188 D N -0.803 119.651 120.400 0.089 0.000 2.123 188 D HA -0.167 4.490 4.640 0.027 0.000 0.196 188 D C 1.880 178.199 176.300 0.031 0.000 0.992 188 D CA 1.520 55.557 54.000 0.062 0.000 0.833 188 D CB -0.392 40.447 40.800 0.065 0.000 0.954 188 D HN 0.762 nan 8.370 nan 0.000 0.455 189 E N 0.378 120.594 120.200 0.027 0.000 2.110 189 E HA -0.152 4.215 4.350 0.027 0.000 0.193 189 E C 1.785 178.389 176.600 0.006 0.000 0.988 189 E CA 1.310 57.717 56.400 0.012 0.000 0.804 189 E CB 0.251 29.955 29.700 0.006 0.000 0.745 189 E HN 0.241 nan 8.360 nan 0.000 0.458 190 V N -3.259 116.661 119.914 0.010 0.000 3.621 190 V HA 0.425 4.562 4.120 0.027 0.000 0.285 190 V C 1.085 177.172 176.094 -0.011 0.000 1.346 190 V CA 0.410 62.712 62.300 0.003 0.000 1.104 190 V CB 0.017 31.848 31.823 0.013 0.000 0.913 190 V HN 0.296 nan 8.190 nan 0.000 0.432 191 G N 0.376 109.164 108.800 -0.020 0.000 2.246 191 G HA2 -0.013 3.964 3.960 0.027 0.000 0.273 191 G HA3 -0.013 3.964 3.960 0.027 0.000 0.273 191 G C 0.205 175.039 174.900 -0.111 0.000 1.055 191 G CA 0.404 45.466 45.100 -0.062 0.000 0.851 191 G HN 1.667 nan 8.290 nan 0.000 0.500 192 A N -0.654 122.127 122.820 -0.066 0.000 2.312 192 A HA 0.822 5.159 4.320 0.027 0.000 0.328 192 A C 0.070 177.600 177.584 -0.091 0.000 1.158 192 A CA -0.796 51.205 52.037 -0.061 0.000 0.821 192 A CB 0.823 19.844 19.000 0.034 0.000 1.170 192 A HN 0.551 nan 8.150 nan 0.000 0.490 193 Y N 0.088 120.355 120.300 -0.055 0.000 2.457 193 Y HA 0.331 4.897 4.550 0.028 0.000 0.341 193 Y C 0.326 176.327 175.900 0.168 0.000 1.240 193 Y CA 0.443 58.479 58.100 -0.107 0.000 1.437 193 Y CB 0.606 39.009 38.460 -0.095 0.000 1.328 193 Y HN 0.554 nan 8.280 nan 0.000 0.588 194 L N 4.880 126.464 121.223 0.601 0.000 2.305 194 L HA 0.507 4.864 4.340 0.027 0.000 0.284 194 L C -0.845 176.224 176.870 0.332 0.000 1.013 194 L CA -0.807 54.266 54.840 0.388 0.000 0.819 194 L CB 1.126 43.373 42.059 0.314 0.000 1.227 194 L HN 0.725 nan 8.230 nan 0.000 0.417 195 M N 5.859 125.593 119.600 0.222 0.000 2.227 195 M HA 0.573 5.070 4.480 0.027 0.000 0.335 195 M C -1.692 174.618 176.300 0.016 0.000 1.053 195 M CA -0.625 54.769 55.300 0.157 0.000 0.973 195 M CB 1.474 34.152 32.600 0.131 0.000 1.623 195 M HN 0.424 nan 8.290 nan 0.000 0.434 196 V N 4.398 124.281 119.914 -0.050 0.000 2.370 196 V HA 0.256 4.393 4.120 0.027 0.000 0.283 196 V C -0.518 175.507 176.094 -0.114 0.000 1.023 196 V CA -0.559 61.653 62.300 -0.147 0.000 0.857 196 V CB 1.497 33.096 31.823 -0.374 0.000 0.985 196 V HN 0.755 nan 8.190 nan 0.000 0.443 197 D N 5.744 126.103 120.400 -0.068 0.000 2.479 197 D HA 0.225 4.881 4.640 0.027 0.000 0.218 197 D C 0.834 177.137 176.300 0.004 0.000 1.131 197 D CA -0.470 53.524 54.000 -0.010 0.000 0.916 197 D CB 1.027 41.897 40.800 0.116 0.000 1.022 197 D HN 0.609 nan 8.370 nan 0.000 0.515 198 M N 1.476 121.033 119.600 -0.073 0.000 2.581 198 M HA 0.341 4.837 4.480 0.027 0.000 0.224 198 M C 1.376 177.638 176.300 -0.063 0.000 1.171 198 M CA -0.328 54.932 55.300 -0.066 0.000 0.993 198 M CB 0.566 33.074 32.600 -0.153 0.000 1.685 198 M HN 0.127 nan 8.290 nan 0.000 0.479 199 A N 1.277 124.062 122.820 -0.058 0.000 1.896 199 A HA -0.244 4.092 4.320 0.027 0.000 0.220 199 A C 2.101 179.597 177.584 -0.147 0.000 1.206 199 A CA 2.164 54.124 52.037 -0.128 0.000 0.647 199 A CB -1.375 17.531 19.000 -0.156 0.000 0.828 199 A HN 0.756 nan 8.150 nan 0.000 0.455 200 H N -0.475 118.549 119.070 -0.075 0.000 2.389 200 H HA -0.052 4.522 4.556 0.030 0.000 0.299 200 H C 1.911 177.090 175.328 -0.248 0.000 1.081 200 H CA 1.831 57.836 56.048 -0.071 0.000 1.345 200 H CB -0.047 29.801 29.762 0.143 0.000 1.393 200 H HN 0.729 nan 8.280 nan 0.000 0.520 201 I N -2.581 117.965 120.570 -0.040 0.000 3.928 201 I HA 0.340 4.526 4.170 0.027 0.000 0.335 201 I C 2.248 178.347 176.117 -0.029 0.000 1.325 201 I CA 0.226 61.466 61.300 -0.101 0.000 1.107 201 I CB 0.157 38.071 38.000 -0.144 0.000 1.014 201 I HN -0.089 nan 8.210 nan 0.000 0.400 202 A N 2.300 125.111 122.820 -0.015 0.000 1.917 202 A HA -0.114 4.222 4.320 0.027 0.000 0.219 202 A C 2.360 180.118 177.584 0.289 0.000 1.182 202 A CA 2.187 54.281 52.037 0.096 0.000 0.633 202 A CB -1.495 17.512 19.000 0.011 0.000 0.819 202 A HN 0.544 nan 8.150 nan 0.000 0.448 203 G N -0.345 108.599 108.800 0.239 0.000 2.422 203 G HA2 -0.134 3.842 3.960 0.027 0.000 0.218 203 G HA3 -0.134 3.842 3.960 0.027 0.000 0.218 203 G C 1.539 176.634 174.900 0.326 0.000 1.146 203 G CA 1.015 46.362 45.100 0.413 0.000 0.769 203 G HN 0.458 nan 8.290 nan 0.000 0.547 204 L N 0.219 121.542 121.223 0.167 0.000 2.056 204 L HA -0.072 4.285 4.340 0.027 0.000 0.207 204 L C 2.969 179.972 176.870 0.221 0.000 1.078 204 L CA 0.438 55.366 54.840 0.147 0.000 0.749 204 L CB -0.764 41.371 42.059 0.127 0.000 0.901 204 L HN 0.065 nan 8.230 nan 0.000 0.433 205 V N 0.598 120.670 119.914 0.263 0.000 2.287 205 V HA -0.333 3.803 4.120 0.027 0.000 0.248 205 V C 2.843 179.090 176.094 0.257 0.000 1.053 205 V CA 2.004 64.495 62.300 0.320 0.000 1.027 205 V CB -0.951 31.089 31.823 0.361 0.000 0.646 205 V HN 0.503 nan 8.190 nan 0.000 0.447 206 A N -0.326 122.628 122.820 0.222 0.000 1.978 206 A HA -0.064 4.272 4.320 0.027 0.000 0.220 206 A C 2.154 179.765 177.584 0.045 0.000 1.170 206 A CA 1.975 53.954 52.037 -0.097 0.000 0.636 206 A CB -0.531 18.306 19.000 -0.273 0.000 0.810 206 A HN 0.645 nan 8.150 nan 0.000 0.448 207 A N -1.940 120.987 122.820 0.178 0.000 2.275 207 A HA 0.444 4.780 4.320 0.027 0.000 0.212 207 A C 1.634 179.280 177.584 0.104 0.000 1.201 207 A CA 1.030 53.163 52.037 0.160 0.000 0.843 207 A CB -0.850 18.241 19.000 0.152 0.000 0.873 207 A HN 1.872 nan 8.150 nan 0.000 0.492 208 G N -0.930 107.938 108.800 0.114 0.000 2.176 208 G HA2 -0.238 3.739 3.960 0.027 0.000 0.252 208 G HA3 -0.238 3.739 3.960 0.027 0.000 0.252 208 G C 0.516 175.482 174.900 0.108 0.000 1.024 208 G CA 0.565 45.729 45.100 0.107 0.000 0.755 208 G HN 0.515 nan 8.290 nan 0.000 0.507 209 L N -0.595 120.707 121.223 0.131 0.000 2.664 209 L HA 0.371 4.728 4.340 0.027 0.000 0.233 209 L C 0.950 177.922 176.870 0.169 0.000 1.113 209 L CA -0.175 54.733 54.840 0.113 0.000 0.896 209 L CB 0.317 42.423 42.059 0.079 0.000 1.163 209 L HN 0.414 nan 8.230 nan 0.000 0.497 210 H N 0.466 119.611 119.070 0.126 0.000 2.717 210 H HA 0.366 4.939 4.556 0.028 0.000 0.366 210 H C -2.662 172.790 175.328 0.205 0.000 1.132 210 H CA -1.988 54.155 56.048 0.158 0.000 1.180 210 H CB 2.653 32.530 29.762 0.192 0.000 1.678 210 H HN -0.253 nan 8.280 nan 0.000 0.537 211 P HA -0.065 nan 4.420 nan 0.000 0.265 211 P C -0.242 177.421 177.300 0.604 0.000 1.187 211 P CA 0.167 63.456 63.100 0.315 0.000 0.766 211 P CB 0.492 32.299 31.700 0.179 0.000 0.820 212 N N 4.051 123.018 118.700 0.445 0.000 2.422 212 N HA 0.109 4.865 4.740 0.027 0.000 0.264 212 N C -1.530 174.164 175.510 0.306 0.000 1.063 212 N CA -2.302 50.954 53.050 0.344 0.000 0.959 212 N CB 0.436 39.065 38.487 0.236 0.000 1.087 212 N HN 0.208 nan 8.380 nan 0.000 0.483 213 P HA -0.066 nan 4.420 nan 0.000 0.225 213 P C 1.335 178.567 177.300 -0.112 0.000 1.156 213 P CA 0.395 63.252 63.100 -0.404 0.000 0.787 213 P CB 0.485 31.529 31.700 -1.093 0.000 0.802 214 V N 2.027 121.893 119.914 -0.081 0.000 2.278 214 V HA -0.184 3.953 4.120 0.027 0.000 0.251 214 V C -0.217 175.814 176.094 -0.105 0.000 1.062 214 V CA 2.758 65.011 62.300 -0.079 0.000 1.038 214 V CB -2.617 29.189 31.823 -0.028 0.000 0.646 214 V HN 0.202 nan 8.190 nan 0.000 0.447 215 P HA -0.114 nan 4.420 nan 0.000 0.222 215 P C 0.917 177.973 177.300 -0.405 0.000 1.147 215 P CA 1.497 64.393 63.100 -0.339 0.000 0.790 215 P CB -0.080 31.299 31.700 -0.535 0.000 0.780 216 Y N -1.338 118.939 120.300 -0.039 0.000 2.498 216 Y HA 0.431 4.997 4.550 0.027 0.000 0.259 216 Y C 1.359 177.195 175.900 -0.107 0.000 1.086 216 Y CA -0.339 57.744 58.100 -0.028 0.000 1.287 216 Y CB -0.400 38.114 38.460 0.090 0.000 1.146 216 Y HN -0.207 nan 8.280 nan 0.000 0.523 217 A N -0.400 122.414 122.820 -0.010 0.000 2.306 217 A HA 0.366 4.703 4.320 0.027 0.000 0.314 217 A C -0.045 177.425 177.584 -0.190 0.000 1.164 217 A CA -0.417 51.575 52.037 -0.075 0.000 0.822 217 A CB 0.271 19.227 19.000 -0.074 0.000 1.130 217 A HN 0.465 nan 8.150 nan 0.000 0.496 218 H N 0.944 119.958 119.070 -0.093 0.000 2.389 218 H HA 0.093 4.665 4.556 0.027 0.000 0.299 218 H C -0.651 174.174 175.328 -0.838 0.000 1.081 218 H CA 2.115 57.916 56.048 -0.412 0.000 1.345 218 H CB -0.055 29.368 29.762 -0.565 0.000 1.393 218 H HN 0.580 nan 8.280 nan 0.000 0.520 219 F N -0.617 119.347 119.950 0.023 0.000 2.569 219 F HA 0.481 5.024 4.527 0.027 0.000 0.312 219 F C -0.876 174.874 175.800 -0.083 0.000 1.109 219 F CA -1.222 56.747 58.000 -0.051 0.000 0.919 219 F CB 1.891 40.819 39.000 -0.120 0.000 1.211 219 F HN -0.350 nan 8.300 nan 0.000 0.446 220 V N 1.670 121.618 119.914 0.056 0.000 2.444 220 V HA 0.608 4.744 4.120 0.027 0.000 0.294 220 V C -0.238 175.809 176.094 -0.078 0.000 1.022 220 V CA -0.711 61.545 62.300 -0.074 0.000 0.850 220 V CB 1.901 33.613 31.823 -0.186 0.000 0.992 220 V HN 0.896 nan 8.190 nan 0.000 0.426 221 T N 0.810 115.311 114.554 -0.089 0.000 2.945 221 T HA 0.842 5.208 4.350 0.027 0.000 0.286 221 T C -0.322 174.301 174.700 -0.128 0.000 1.025 221 T CA -0.652 61.391 62.100 -0.094 0.000 1.039 221 T CB 2.133 70.956 68.868 -0.075 0.000 1.068 221 T HN 0.752 nan 8.240 nan 0.000 0.497 222 T N 0.484 114.964 114.554 -0.124 0.000 2.830 222 T HA 0.579 4.946 4.350 0.027 0.000 0.322 222 T C -0.573 174.056 174.700 -0.117 0.000 1.501 222 T CA -0.344 61.670 62.100 -0.144 0.000 1.036 222 T CB 1.350 70.089 68.868 -0.215 0.000 1.379 222 T HN 1.204 nan 8.240 nan 0.000 0.493 223 T N -0.056 114.391 114.554 -0.178 0.000 2.902 223 T HA 0.470 4.837 4.350 0.027 0.000 0.280 223 T C 1.390 175.988 174.700 -0.170 0.000 0.992 223 T CA 0.191 62.153 62.100 -0.231 0.000 1.015 223 T CB 0.993 69.482 68.868 -0.632 0.000 1.044 223 T HN 0.763 nan 8.240 nan 0.000 0.520 224 T N -2.162 112.359 114.554 -0.054 0.000 3.060 224 T HA 0.048 4.414 4.350 0.027 0.000 0.249 224 T C 1.272 176.001 174.700 0.049 0.000 1.079 224 T CA 0.189 62.336 62.100 0.079 0.000 1.013 224 T CB -0.440 68.519 68.868 0.152 0.000 0.975 224 T HN 0.923 nan 8.240 nan 0.000 0.518 225 H N -0.043 119.024 119.070 -0.005 0.000 2.652 225 H HA 0.468 5.042 4.556 0.029 0.000 0.274 225 H C 0.799 176.096 175.328 -0.051 0.000 1.021 225 H CA -0.479 55.553 56.048 -0.027 0.000 1.187 225 H CB 0.346 30.081 29.762 -0.045 0.000 1.505 225 H HN 0.273 nan 8.280 nan 0.000 0.530 226 K N 1.160 121.433 120.400 -0.211 0.000 3.502 226 K HA 0.062 4.398 4.320 0.027 0.000 0.163 226 K C 2.011 178.574 176.600 -0.062 0.000 1.142 226 K CA 0.749 56.926 56.287 -0.183 0.000 1.539 226 K CB -0.253 32.015 32.500 -0.387 0.000 2.125 226 K HN 0.127 nan 8.250 nan 0.000 0.491 227 T N 0.299 114.793 114.554 -0.100 0.000 2.962 227 T HA -0.090 4.276 4.350 0.027 0.000 0.270 227 T C 1.785 176.639 174.700 0.256 0.000 1.088 227 T CA 0.784 62.897 62.100 0.021 0.000 1.127 227 T CB -0.117 68.667 68.868 -0.139 0.000 0.883 227 T HN 0.078 nan 8.240 nan 0.000 0.493 228 L N 1.117 122.460 121.223 0.200 0.000 2.465 228 L HA 0.332 4.689 4.340 0.027 0.000 0.224 228 L C 1.579 178.604 176.870 0.258 0.000 1.145 228 L CA 0.876 55.880 54.840 0.274 0.000 0.834 228 L CB -1.119 41.062 42.059 0.203 0.000 0.944 228 L HN 0.420 nan 8.230 nan 0.000 0.451 229 R N -0.999 119.632 120.500 0.219 0.000 3.422 229 R HA -0.161 4.196 4.340 0.027 0.000 0.267 229 R C 0.407 176.767 176.300 0.099 0.000 1.074 229 R CA 0.432 56.634 56.100 0.171 0.000 0.718 229 R CB -1.662 28.784 30.300 0.243 0.000 1.157 229 R HN 0.548 nan 8.270 nan 0.000 0.440 230 G N 0.102 108.953 108.800 0.084 0.000 2.938 230 G HA2 0.704 4.681 3.960 0.027 0.000 0.258 230 G HA3 0.704 4.681 3.960 0.027 0.000 0.258 230 G C -2.635 172.288 174.900 0.039 0.000 1.356 230 G CA -0.954 44.163 45.100 0.029 0.000 1.052 230 G HN 0.135 nan 8.290 nan 0.000 0.550 231 P HA 0.206 nan 4.420 nan 0.000 0.274 231 P C -0.620 176.701 177.300 0.035 0.000 1.256 231 P CA -0.556 62.533 63.100 -0.018 0.000 0.795 231 P CB 1.043 32.697 31.700 -0.077 0.000 1.038 232 R N 0.230 120.694 120.500 -0.059 0.000 2.351 232 R HA 0.511 4.867 4.340 0.027 0.000 0.318 232 R C 0.262 176.547 176.300 -0.025 0.000 1.055 232 R CA 0.529 56.513 56.100 -0.194 0.000 0.968 232 R CB -0.620 29.443 30.300 -0.394 0.000 0.974 232 R HN 0.843 nan 8.270 nan 0.000 0.439 233 G N 1.387 110.308 108.800 0.200 0.000 2.320 233 G HA2 0.409 4.385 3.960 0.027 0.000 0.296 233 G HA3 0.409 4.385 3.960 0.027 0.000 0.296 233 G C -1.308 173.691 174.900 0.166 0.000 1.306 233 G CA -0.417 44.763 45.100 0.134 0.000 0.836 233 G HN 0.778 nan 8.290 nan 0.000 0.517 234 G N -1.401 107.455 108.800 0.093 0.000 2.788 234 G HA2 0.836 4.813 3.960 0.027 0.000 0.293 234 G HA3 0.836 4.813 3.960 0.027 0.000 0.293 234 G C -0.798 174.133 174.900 0.051 0.000 1.305 234 G CA -0.389 44.744 45.100 0.055 0.000 1.005 234 G HN 1.228 nan 8.290 nan 0.000 0.496 235 M N -0.274 119.339 119.600 0.021 0.000 2.490 235 M HA 0.600 5.096 4.480 0.027 0.000 0.286 235 M C -2.148 174.137 176.300 -0.025 0.000 1.185 235 M CA -0.626 54.688 55.300 0.023 0.000 0.912 235 M CB 2.142 34.776 32.600 0.057 0.000 1.744 235 M HN 0.399 nan 8.290 nan 0.000 0.494 236 I N 4.501 125.066 120.570 -0.008 0.000 2.465 236 I HA 0.509 4.695 4.170 0.027 0.000 0.291 236 I C -1.249 174.865 176.117 -0.005 0.000 1.014 236 I CA -0.695 60.605 61.300 0.001 0.000 1.093 236 I CB 1.980 40.012 38.000 0.054 0.000 1.267 236 I HN 0.593 nan 8.210 nan 0.000 0.431 237 L N 6.047 127.257 121.223 -0.021 0.000 2.342 237 L HA 0.827 5.184 4.340 0.027 0.000 0.271 237 L C -0.563 176.353 176.870 0.076 0.000 1.008 237 L CA -0.637 54.195 54.840 -0.012 0.000 0.818 237 L CB 1.920 43.913 42.059 -0.110 0.000 1.296 237 L HN 0.807 nan 8.230 nan 0.000 0.427 238 C N -0.273 119.101 119.300 0.123 0.000 3.306 238 C HA 0.462 4.939 4.460 0.027 0.000 0.335 238 C C -0.777 174.294 174.990 0.134 0.000 1.382 238 C CA -1.043 58.054 59.018 0.133 0.000 1.254 238 C CB 1.782 29.680 27.740 0.262 0.000 1.555 238 C HN 0.882 nan 8.230 nan 0.000 0.463 239 Q N 1.007 120.879 119.800 0.120 0.000 2.417 239 Q HA 0.231 4.588 4.340 0.027 0.000 0.241 239 Q C 0.682 176.685 176.000 0.005 0.000 1.008 239 Q CA 0.078 55.911 55.803 0.050 0.000 0.901 239 Q CB 0.897 29.630 28.738 -0.009 0.000 1.259 239 Q HN 0.847 nan 8.270 nan 0.000 0.489 240 E N 1.364 121.534 120.200 -0.051 0.000 2.130 240 E HA -0.280 4.086 4.350 0.027 0.000 0.196 240 E C 2.021 178.509 176.600 -0.187 0.000 0.998 240 E CA 2.352 58.695 56.400 -0.096 0.000 0.806 240 E CB -0.105 29.549 29.700 -0.076 0.000 0.738 240 E HN 0.778 nan 8.360 nan 0.000 0.459 241 Q N -1.157 118.455 119.800 -0.314 0.000 2.234 241 Q HA -0.167 4.189 4.340 0.027 0.000 0.206 241 Q C 1.173 176.870 176.000 -0.505 0.000 0.980 241 Q CA 1.556 57.078 55.803 -0.469 0.000 0.869 241 Q CB -0.368 27.979 28.738 -0.652 0.000 0.912 241 Q HN 0.352 nan 8.270 nan 0.000 0.436 242 F N 0.042 119.977 119.950 -0.026 0.000 2.695 242 F HA 0.475 5.018 4.527 0.027 0.000 0.303 242 F C 2.179 177.972 175.800 -0.013 0.000 1.091 242 F CA -0.156 57.866 58.000 0.036 0.000 1.300 242 F CB -0.152 38.918 39.000 0.117 0.000 1.071 242 F HN 0.134 nan 8.300 nan 0.000 0.578 243 A N 0.948 123.731 122.820 -0.061 0.000 1.873 243 A HA -0.289 4.047 4.320 0.027 0.000 0.218 243 A C 2.375 179.770 177.584 -0.315 0.000 1.193 243 A CA 2.230 53.997 52.037 -0.449 0.000 0.629 243 A CB -0.705 17.792 19.000 -0.839 0.000 0.826 243 A HN 0.342 nan 8.150 nan 0.000 0.447 244 K N -0.773 119.518 120.400 -0.182 0.000 2.057 244 K HA -0.210 4.127 4.320 0.027 0.000 0.207 244 K C 2.312 178.907 176.600 -0.008 0.000 1.049 244 K CA 1.731 57.958 56.287 -0.099 0.000 0.931 244 K CB -0.215 32.250 32.500 -0.058 0.000 0.714 244 K HN 0.649 nan 8.250 nan 0.000 0.440 245 Q N 0.205 120.037 119.800 0.053 0.000 2.084 245 Q HA -0.138 4.219 4.340 0.027 0.000 0.202 245 Q C 2.124 178.194 176.000 0.117 0.000 0.978 245 Q CA 1.282 57.147 55.803 0.102 0.000 0.844 245 Q CB 0.005 28.837 28.738 0.158 0.000 0.898 245 Q HN 0.311 nan 8.270 nan 0.000 0.426 246 I N 1.227 121.883 120.570 0.144 0.000 2.179 246 I HA -0.245 3.942 4.170 0.027 0.000 0.242 246 I C 1.573 177.777 176.117 0.145 0.000 1.088 246 I CA 1.421 62.813 61.300 0.154 0.000 1.357 246 I CB -0.975 37.168 38.000 0.239 0.000 1.051 246 I HN 0.220 nan 8.210 nan 0.000 0.409 247 D N 0.970 121.416 120.400 0.078 0.000 2.123 247 D HA -0.177 4.479 4.640 0.027 0.000 0.196 247 D C 2.211 178.649 176.300 0.230 0.000 0.992 247 D CA 1.210 55.213 54.000 0.006 0.000 0.833 247 D CB -0.122 40.410 40.800 -0.447 0.000 0.954 247 D HN 0.329 nan 8.370 nan 0.000 0.455 248 K N 0.366 120.868 120.400 0.169 0.000 2.148 248 K HA 0.034 4.370 4.320 0.027 0.000 0.204 248 K C 2.078 178.801 176.600 0.204 0.000 1.050 248 K CA 0.804 57.209 56.287 0.197 0.000 0.942 248 K CB 0.024 32.604 32.500 0.133 0.000 0.724 248 K HN 0.020 nan 8.250 nan 0.000 0.446 249 A N 1.732 124.686 122.820 0.223 0.000 1.902 249 A HA -0.160 4.177 4.320 0.027 0.000 0.217 249 A C 2.056 179.722 177.584 0.136 0.000 1.181 249 A CA 1.186 53.395 52.037 0.287 0.000 0.623 249 A CB -0.363 18.803 19.000 0.277 0.000 0.818 249 A HN 0.088 nan 8.150 nan 0.000 0.443 250 I N -2.757 117.918 120.570 0.175 0.000 2.202 250 I HA 0.029 4.215 4.170 0.027 0.000 0.242 250 I C 0.520 176.773 176.117 0.226 0.000 1.091 250 I CA 1.306 62.700 61.300 0.156 0.000 1.368 250 I CB -0.527 37.604 38.000 0.217 0.000 1.058 250 I HN 0.342 nan 8.210 nan 0.000 0.410 251 F N 2.267 122.321 119.950 0.173 0.000 2.588 251 F HA 0.395 4.940 4.527 0.030 0.000 0.318 251 F C -2.233 173.696 175.800 0.215 0.000 1.155 251 F CA -1.752 56.333 58.000 0.142 0.000 0.967 251 F CB 1.945 40.997 39.000 0.086 0.000 1.236 251 F HN -0.243 nan 8.300 nan 0.000 0.455 252 P HA 0.176 nan 4.420 nan 0.000 0.255 252 P C 0.928 177.981 177.300 -0.411 0.000 1.357 252 P CA 0.531 62.948 63.100 -1.138 0.000 0.839 252 P CB 0.345 31.462 31.700 -0.972 0.000 1.356 253 G N 2.233 110.927 108.800 -0.176 0.000 2.505 253 G HA2 -0.183 3.793 3.960 0.027 0.000 0.214 253 G HA3 -0.183 3.793 3.960 0.027 0.000 0.214 253 G C 1.278 175.903 174.900 -0.458 0.000 1.237 253 G CA 1.067 46.043 45.100 -0.208 0.000 0.802 253 G HN 0.432 nan 8.290 nan 0.000 0.549 254 I N -3.387 116.972 120.570 -0.352 0.000 4.288 254 I HA 0.438 4.624 4.170 0.027 0.000 0.331 254 I C 0.606 176.648 176.117 -0.125 0.000 1.322 254 I CA -0.204 60.896 61.300 -0.332 0.000 1.149 254 I CB 0.556 38.323 38.000 -0.390 0.000 1.112 254 I HN 0.061 nan 8.210 nan 0.000 0.403 255 Q N 0.856 120.650 119.800 -0.011 0.000 2.495 255 Q HA 0.662 5.019 4.340 0.027 0.000 0.283 255 Q C -0.030 176.147 176.000 0.296 0.000 1.097 255 Q CA -0.460 55.398 55.803 0.093 0.000 0.836 255 Q CB 2.267 30.969 28.738 -0.060 0.000 1.426 255 Q HN 0.260 nan 8.270 nan 0.000 0.459 256 G N -0.441 108.542 108.800 0.306 0.000 3.306 256 G HA2 0.447 4.423 3.960 0.027 0.000 0.202 256 G HA3 0.447 4.423 3.960 0.027 0.000 0.202 256 G C -0.263 174.724 174.900 0.146 0.000 1.673 256 G CA -0.133 45.192 45.100 0.376 0.000 0.776 256 G HN 0.575 nan 8.290 nan 0.000 0.740 257 G N 2.048 110.967 108.800 0.199 0.000 2.343 257 G HA2 0.490 4.466 3.960 0.027 0.000 0.254 257 G HA3 0.490 4.466 3.960 0.027 0.000 0.254 257 G C -2.041 172.848 174.900 -0.018 0.000 1.277 257 G CA -0.356 44.755 45.100 0.018 0.000 0.909 257 G HN 0.369 nan 8.290 nan 0.000 0.502 258 P HA 0.153 nan 4.420 nan 0.000 0.274 258 P C -0.101 177.194 177.300 -0.009 0.000 1.246 258 P CA -0.432 62.657 63.100 -0.019 0.000 0.795 258 P CB 1.248 32.877 31.700 -0.118 0.000 1.006 259 L N 2.422 123.663 121.223 0.032 0.000 2.375 259 L HA 0.137 4.493 4.340 0.027 0.000 0.276 259 L C 1.810 178.617 176.870 -0.106 0.000 1.162 259 L CA -0.536 54.266 54.840 -0.064 0.000 0.991 259 L CB -0.130 41.801 42.059 -0.213 0.000 1.315 259 L HN 0.225 nan 8.230 nan 0.000 0.431 260 M N 0.687 120.301 119.600 0.024 0.000 2.149 260 M HA -0.177 4.319 4.480 0.027 0.000 0.261 260 M C 2.224 178.538 176.300 0.023 0.000 1.064 260 M CA 1.831 57.136 55.300 0.008 0.000 1.102 260 M CB -1.180 31.422 32.600 0.004 0.000 1.369 260 M HN 0.681 nan 8.290 nan 0.000 0.408 261 H N -1.667 117.358 119.070 -0.075 0.000 2.353 261 H HA -0.005 4.555 4.556 0.006 0.000 0.300 261 H C 1.900 177.188 175.328 -0.067 0.000 1.090 261 H CA 1.288 57.295 56.048 -0.068 0.000 1.327 261 H CB -0.869 28.850 29.762 -0.070 0.000 1.383 261 H HN 0.150 nan 8.280 nan 0.000 0.508 262 V N 1.176 120.764 119.914 -0.544 0.000 2.427 262 V HA -0.178 3.959 4.120 0.027 0.000 0.248 262 V C 2.514 178.483 176.094 -0.209 0.000 1.051 262 V CA 1.592 63.679 62.300 -0.355 0.000 1.048 262 V CB -0.470 31.124 31.823 -0.383 0.000 0.666 262 V HN 0.425 nan 8.190 nan 0.000 0.456 263 I N 0.603 121.072 120.570 -0.168 0.000 2.315 263 I HA -0.218 3.969 4.170 0.027 0.000 0.248 263 I C 2.688 178.728 176.117 -0.128 0.000 1.117 263 I CA 1.331 62.559 61.300 -0.120 0.000 1.404 263 I CB -0.548 37.413 38.000 -0.066 0.000 1.071 263 I HN 0.288 nan 8.210 nan 0.000 0.419 264 A N 0.907 123.671 122.820 -0.095 0.000 1.883 264 A HA -0.234 4.102 4.320 0.027 0.000 0.217 264 A C 2.556 180.065 177.584 -0.126 0.000 1.186 264 A CA 2.079 54.068 52.037 -0.080 0.000 0.624 264 A CB -0.924 18.055 19.000 -0.034 0.000 0.822 264 A HN 0.434 nan 8.150 nan 0.000 0.444 265 A N -0.423 122.315 122.820 -0.136 0.000 1.933 265 A HA -0.173 4.164 4.320 0.027 0.000 0.218 265 A C 2.099 179.525 177.584 -0.264 0.000 1.175 265 A CA 1.867 53.811 52.037 -0.155 0.000 0.628 265 A CB -0.438 18.488 19.000 -0.124 0.000 0.814 265 A HN 0.575 nan 8.150 nan 0.000 0.444 266 K N -0.309 119.877 120.400 -0.357 0.000 2.032 266 K HA -0.110 4.226 4.320 0.027 0.000 0.209 266 K C 2.355 178.316 176.600 -1.065 0.000 1.048 266 K CA 1.218 57.064 56.287 -0.735 0.000 0.927 266 K CB -0.383 31.747 32.500 -0.616 0.000 0.712 266 K HN 0.441 nan 8.250 nan 0.000 0.441 267 A N 1.100 123.594 122.820 -0.543 0.000 1.908 267 A HA -0.161 4.175 4.320 0.027 0.000 0.218 267 A C 2.401 179.862 177.584 -0.204 0.000 1.181 267 A CA 1.723 53.593 52.037 -0.279 0.000 0.627 267 A CB -0.805 18.136 19.000 -0.099 0.000 0.818 267 A HN 0.091 nan 8.150 nan 0.000 0.445 268 V N -0.220 119.577 119.914 -0.195 0.000 2.295 268 V HA -0.261 3.875 4.120 0.027 0.000 0.246 268 V C 3.059 179.077 176.094 -0.126 0.000 1.049 268 V CA 2.044 64.272 62.300 -0.121 0.000 1.024 268 V CB -1.317 30.448 31.823 -0.096 0.000 0.648 268 V HN 0.633 nan 8.190 nan 0.000 0.447 269 A N -0.478 122.216 122.820 -0.210 0.000 1.902 269 A HA -0.164 4.173 4.320 0.027 0.000 0.217 269 A C 2.140 179.701 177.584 -0.038 0.000 1.181 269 A CA 1.764 53.713 52.037 -0.148 0.000 0.623 269 A CB -0.742 18.155 19.000 -0.172 0.000 0.818 269 A HN 0.544 nan 8.150 nan 0.000 0.443 270 F N 0.044 119.928 119.950 -0.110 0.000 2.134 270 F HA -0.116 4.434 4.527 0.040 0.000 0.299 270 F C 2.732 178.439 175.800 -0.155 0.000 1.097 270 F CA 0.277 58.193 58.000 -0.140 0.000 1.264 270 F CB -0.588 38.367 39.000 -0.075 0.000 1.001 270 F HN 0.368 nan 8.300 nan 0.000 0.479 271 G N 0.272 109.111 108.800 0.065 0.000 2.440 271 G HA2 -0.245 3.732 3.960 0.027 0.000 0.218 271 G HA3 -0.245 3.732 3.960 0.027 0.000 0.218 271 G C 1.375 176.259 174.900 -0.027 0.000 1.154 271 G CA 0.918 46.023 45.100 0.008 0.000 0.767 271 G HN 0.345 nan 8.290 nan 0.000 0.552 272 E N 0.506 120.678 120.200 -0.047 0.000 2.077 272 E HA -0.050 4.316 4.350 0.027 0.000 0.193 272 E C 2.905 179.424 176.600 -0.135 0.000 0.989 272 E CA 0.812 57.183 56.400 -0.048 0.000 0.800 272 E CB -0.208 29.474 29.700 -0.031 0.000 0.746 272 E HN 0.415 nan 8.360 nan 0.000 0.452 273 A N 0.936 123.527 122.820 -0.383 0.000 2.019 273 A HA -0.115 4.221 4.320 0.027 0.000 0.219 273 A C 2.089 179.489 177.584 -0.307 0.000 1.164 273 A CA 0.865 52.404 52.037 -0.828 0.000 0.644 273 A CB -0.447 17.983 19.000 -0.949 0.000 0.805 273 A HN 0.142 nan 8.150 nan 0.000 0.449 274 L N -0.567 120.561 121.223 -0.159 0.000 2.376 274 L HA -0.073 4.283 4.340 0.027 0.000 0.219 274 L C 0.946 177.815 176.870 -0.002 0.000 1.133 274 L CA 0.205 54.999 54.840 -0.078 0.000 0.816 274 L CB -0.289 41.733 42.059 -0.062 0.000 0.933 274 L HN 0.485 nan 8.230 nan 0.000 0.449 275 Q N -0.170 119.650 119.800 0.034 0.000 2.354 275 Q HA -0.012 4.345 4.340 0.027 0.000 0.244 275 Q C 0.468 176.542 176.000 0.122 0.000 0.969 275 Q CA -0.577 55.270 55.803 0.074 0.000 0.885 275 Q CB 0.965 29.751 28.738 0.081 0.000 1.241 275 Q HN 0.028 nan 8.270 nan 0.000 0.461 276 D N 1.514 121.970 120.400 0.093 0.000 2.149 276 D HA -0.189 4.467 4.640 0.027 0.000 0.198 276 D C 1.266 177.638 176.300 0.121 0.000 0.990 276 D CA 1.550 55.607 54.000 0.095 0.000 0.839 276 D CB -0.096 40.743 40.800 0.064 0.000 0.948 276 D HN 0.656 nan 8.370 nan 0.000 0.460 277 D N -0.136 120.340 120.400 0.127 0.000 2.264 277 D HA -0.176 4.480 4.640 0.027 0.000 0.208 277 D C 1.963 178.376 176.300 0.187 0.000 0.966 277 D CA 0.246 54.323 54.000 0.130 0.000 0.864 277 D CB -0.965 39.896 40.800 0.102 0.000 0.933 277 D HN 0.249 nan 8.370 nan 0.000 0.499 278 F N 1.222 121.232 119.950 0.100 0.000 2.186 278 F HA -0.034 4.508 4.527 0.026 0.000 0.299 278 F C 2.015 177.924 175.800 0.182 0.000 1.090 278 F CA 1.159 59.257 58.000 0.164 0.000 1.307 278 F CB 0.064 39.133 39.000 0.114 0.000 1.019 278 F HN -0.233 nan 8.300 nan 0.000 0.489 279 K N 0.659 121.193 120.400 0.223 0.000 2.032 279 K HA -0.111 4.225 4.320 0.027 0.000 0.209 279 K C 2.291 178.892 176.600 0.001 0.000 1.048 279 K CA 1.479 57.826 56.287 0.100 0.000 0.927 279 K CB -1.030 31.537 32.500 0.111 0.000 0.712 279 K HN 0.313 nan 8.250 nan 0.000 0.441 280 A N 0.077 122.918 122.820 0.035 0.000 1.908 280 A HA -0.226 4.110 4.320 0.027 0.000 0.218 280 A C 2.173 179.751 177.584 -0.011 0.000 1.181 280 A CA 1.750 53.799 52.037 0.020 0.000 0.627 280 A CB -0.961 18.070 19.000 0.052 0.000 0.818 280 A HN 0.454 nan 8.150 nan 0.000 0.445 281 Y N 0.828 121.046 120.300 -0.137 0.000 2.097 281 Y HA -0.175 4.394 4.550 0.032 0.000 0.282 281 Y C 2.607 178.360 175.900 -0.245 0.000 1.152 281 Y CA 1.593 59.575 58.100 -0.196 0.000 1.136 281 Y CB -0.864 37.425 38.460 -0.284 0.000 0.975 281 Y HN 0.289 nan 8.280 nan 0.000 0.498 282 A N 0.513 122.906 122.820 -0.711 0.000 1.940 282 A HA -0.238 4.098 4.320 0.027 0.000 0.219 282 A C 2.366 179.735 177.584 -0.359 0.000 1.176 282 A CA 2.010 53.642 52.037 -0.676 0.000 0.631 282 A CB -0.864 17.875 19.000 -0.435 0.000 0.814 282 A HN 0.587 nan 8.150 nan 0.000 0.446 283 K N -0.452 119.820 120.400 -0.213 0.000 2.057 283 K HA -0.130 4.206 4.320 0.027 0.000 0.207 283 K C 2.247 178.776 176.600 -0.119 0.000 1.049 283 K CA 1.264 57.482 56.287 -0.115 0.000 0.931 283 K CB -0.171 32.296 32.500 -0.055 0.000 0.714 283 K HN 0.442 nan 8.250 nan 0.000 0.440 284 R N 0.165 120.579 120.500 -0.143 0.000 2.120 284 R HA -0.094 4.263 4.340 0.027 0.000 0.234 284 R C 2.239 178.460 176.300 -0.131 0.000 1.123 284 R CA 1.186 57.227 56.100 -0.098 0.000 0.975 284 R CB -0.261 30.014 30.300 -0.043 0.000 0.866 284 R HN 0.075 nan 8.270 nan 0.000 0.446 285 V N 0.465 120.214 119.914 -0.276 0.000 2.261 285 V HA -0.226 3.911 4.120 0.027 0.000 0.246 285 V C 2.362 178.402 176.094 -0.090 0.000 1.047 285 V CA 1.702 63.866 62.300 -0.227 0.000 1.015 285 V CB -0.334 31.250 31.823 -0.398 0.000 0.642 285 V HN 0.105 nan 8.190 nan 0.000 0.446 286 V N 0.121 119.985 119.914 -0.084 0.000 2.307 286 V HA -0.242 3.894 4.120 0.027 0.000 0.245 286 V C 2.298 178.382 176.094 -0.016 0.000 1.045 286 V CA 2.159 64.447 62.300 -0.021 0.000 1.024 286 V CB -0.769 31.049 31.823 -0.009 0.000 0.651 286 V HN 0.531 nan 8.190 nan 0.000 0.449 287 D N 0.350 120.734 120.400 -0.026 0.000 2.123 287 D HA -0.157 4.500 4.640 0.027 0.000 0.196 287 D C 2.082 178.382 176.300 -0.001 0.000 0.992 287 D CA 1.305 55.298 54.000 -0.011 0.000 0.833 287 D CB -0.444 40.348 40.800 -0.012 0.000 0.954 287 D HN 0.349 nan 8.370 nan 0.000 0.455 288 N N 0.457 119.157 118.700 -0.000 0.000 2.120 288 N HA -0.088 4.669 4.740 0.027 0.000 0.188 288 N C 1.698 177.218 175.510 0.018 0.000 1.024 288 N CA 1.303 54.365 53.050 0.021 0.000 0.852 288 N CB -0.428 38.081 38.487 0.037 0.000 1.003 288 N HN 0.139 nan 8.380 nan 0.000 0.424 289 A N 0.879 123.702 122.820 0.006 0.000 1.902 289 A HA -0.141 4.195 4.320 0.027 0.000 0.217 289 A C 2.217 179.798 177.584 -0.005 0.000 1.181 289 A CA 1.564 53.600 52.037 -0.002 0.000 0.623 289 A CB -0.409 18.587 19.000 -0.007 0.000 0.818 289 A HN 0.143 nan 8.150 nan 0.000 0.443 290 K N -0.603 119.796 120.400 -0.001 0.000 2.032 290 K HA -0.143 4.193 4.320 0.027 0.000 0.209 290 K C 2.250 178.854 176.600 0.007 0.000 1.048 290 K CA 1.722 58.009 56.287 0.000 0.000 0.927 290 K CB -0.210 32.291 32.500 0.001 0.000 0.712 290 K HN 0.355 nan 8.250 nan 0.000 0.441 291 R N 0.462 120.969 120.500 0.011 0.000 2.081 291 R HA -0.064 4.293 4.340 0.027 0.000 0.235 291 R C 1.980 178.293 176.300 0.021 0.000 1.131 291 R CA 1.227 57.337 56.100 0.017 0.000 0.960 291 R CB -0.858 29.455 30.300 0.020 0.000 0.856 291 R HN 0.191 nan 8.270 nan 0.000 0.436 292 L N 0.248 121.483 121.223 0.021 0.000 2.046 292 L HA 0.024 4.380 4.340 0.027 0.000 0.208 292 L C 2.093 178.972 176.870 0.015 0.000 1.077 292 L CA 2.196 57.048 54.840 0.020 0.000 0.747 292 L CB -1.100 40.968 42.059 0.015 0.000 0.896 292 L HN 0.280 nan 8.230 nan 0.000 0.432 293 A N -1.481 121.343 122.820 0.006 0.000 1.865 293 A HA -0.227 4.109 4.320 0.027 0.000 0.217 293 A C 2.405 180.006 177.584 0.029 0.000 1.191 293 A CA 2.229 54.271 52.037 0.008 0.000 0.623 293 A CB -1.110 17.889 19.000 -0.003 0.000 0.826 293 A HN 0.514 nan 8.150 nan 0.000 0.444 294 S N -0.262 115.453 115.700 0.025 0.000 2.368 294 S HA -0.052 4.434 4.470 0.027 0.000 0.225 294 S C 2.287 176.913 174.600 0.043 0.000 1.030 294 S CA 1.252 59.471 58.200 0.031 0.000 0.999 294 S CB -0.485 62.728 63.200 0.021 0.000 0.844 294 S HN 0.809 nan 8.310 nan 0.000 0.459 295 A N 1.300 124.147 122.820 0.045 0.000 1.898 295 A HA 0.025 4.361 4.320 0.027 0.000 0.216 295 A C 2.110 179.752 177.584 0.095 0.000 1.181 295 A CA 1.060 53.131 52.037 0.057 0.000 0.620 295 A CB -0.696 18.333 19.000 0.048 0.000 0.819 295 A HN 0.444 nan 8.150 nan 0.000 0.442 296 L N -0.832 120.456 121.223 0.108 0.000 2.046 296 L HA -0.273 4.083 4.340 0.027 0.000 0.208 296 L C 2.894 179.922 176.870 0.263 0.000 1.077 296 L CA 1.660 56.627 54.840 0.212 0.000 0.747 296 L CB -0.531 41.586 42.059 0.097 0.000 0.896 296 L HN 0.485 nan 8.230 nan 0.000 0.432 297 Q N -0.539 119.349 119.800 0.146 0.000 2.084 297 Q HA -0.224 4.132 4.340 0.027 0.000 0.202 297 Q C 2.048 178.086 176.000 0.064 0.000 0.978 297 Q CA 1.536 57.402 55.803 0.104 0.000 0.844 297 Q CB -0.302 28.476 28.738 0.066 0.000 0.898 297 Q HN 0.504 nan 8.270 nan 0.000 0.426 298 N N 0.479 119.214 118.700 0.059 0.000 2.205 298 N HA -0.189 4.568 4.740 0.027 0.000 0.186 298 N C 1.082 176.604 175.510 0.021 0.000 1.015 298 N CA 0.837 53.907 53.050 0.034 0.000 0.862 298 N CB 0.221 38.728 38.487 0.034 0.000 0.986 298 N HN 0.206 nan 8.380 nan 0.000 0.429 299 E N -0.321 119.912 120.200 0.054 0.000 2.482 299 E HA 0.007 4.373 4.350 0.027 0.000 0.196 299 E C 1.099 177.576 176.600 -0.204 0.000 1.047 299 E CA 0.631 57.031 56.400 -0.001 0.000 0.869 299 E CB -0.034 29.765 29.700 0.166 0.000 0.836 299 E HN 0.595 nan 8.360 nan 0.000 0.520 300 G N 0.846 109.554 108.800 -0.154 0.000 2.159 300 G HA2 -0.238 3.738 3.960 0.027 0.000 0.227 300 G HA3 -0.238 3.738 3.960 0.027 0.000 0.227 300 G C -0.053 174.683 174.900 -0.274 0.000 0.986 300 G CA -0.319 44.645 45.100 -0.226 0.000 0.651 300 G HN 0.137 nan 8.290 nan 0.000 0.523 301 F N 1.782 121.736 119.950 0.005 0.000 2.399 301 F HA 0.569 5.113 4.527 0.029 0.000 0.342 301 F C 1.174 176.977 175.800 0.006 0.000 1.106 301 F CA 0.030 58.033 58.000 0.005 0.000 1.196 301 F CB 1.329 40.331 39.000 0.003 0.000 1.163 301 F HN -0.076 nan 8.300 nan 0.000 0.547 302 T N 4.841 119.523 114.554 0.212 0.000 2.806 302 T HA 0.547 4.914 4.350 0.027 0.000 0.290 302 T C -0.184 174.582 174.700 0.110 0.000 0.966 302 T CA -0.513 61.664 62.100 0.128 0.000 1.060 302 T CB 0.361 69.287 68.868 0.097 0.000 0.927 302 T HN 0.273 nan 8.240 nan 0.000 0.485 303 L N 2.982 124.253 121.223 0.080 0.000 2.317 303 L HA 0.492 4.848 4.340 0.027 0.000 0.281 303 L C 0.144 177.038 176.870 0.040 0.000 1.024 303 L CA -1.347 53.516 54.840 0.038 0.000 0.810 303 L CB 1.497 43.572 42.059 0.026 0.000 1.240 303 L HN 0.321 nan 8.230 nan 0.000 0.427 304 V N 2.951 122.845 119.914 -0.034 0.000 2.557 304 V HA -0.089 4.047 4.120 0.027 0.000 0.301 304 V C 1.199 177.338 176.094 0.075 0.000 1.026 304 V CA 1.347 63.583 62.300 -0.106 0.000 1.137 304 V CB 0.760 32.436 31.823 -0.245 0.000 0.917 304 V HN 1.184 nan 8.190 nan 0.000 0.484 305 S N 2.507 118.434 115.700 0.379 0.000 2.929 305 S HA -0.214 4.272 4.470 0.027 0.000 0.271 305 S C 1.364 176.027 174.600 0.105 0.000 1.295 305 S CA 1.193 59.529 58.200 0.228 0.000 1.277 305 S CB -1.921 61.331 63.200 0.087 0.000 1.557 305 S HN 2.834 nan 8.310 nan 0.000 0.666 306 G N -0.318 108.543 108.800 0.102 0.000 2.148 306 G HA2 0.312 4.289 3.960 0.027 0.000 0.254 306 G HA3 0.312 4.289 3.960 0.027 0.000 0.254 306 G C 0.973 175.889 174.900 0.028 0.000 0.981 306 G CA 0.642 45.776 45.100 0.056 0.000 0.670 306 G HN 2.609 nan 8.290 nan 0.000 0.528 307 G N -2.645 106.162 108.800 0.012 0.000 2.491 307 G HA2 0.650 4.627 3.960 0.027 0.000 0.183 307 G HA3 0.650 4.627 3.960 0.027 0.000 0.183 307 G C -0.532 174.345 174.900 -0.038 0.000 1.221 307 G CA 0.960 46.054 45.100 -0.009 0.000 0.996 307 G HN 1.881 nan 8.290 nan 0.000 0.474 308 T N -0.864 113.665 114.554 -0.042 0.000 2.942 308 T HA 0.550 4.916 4.350 0.027 0.000 0.327 308 T C -1.185 173.490 174.700 -0.041 0.000 1.360 308 T CA 0.132 62.195 62.100 -0.063 0.000 1.055 308 T CB 1.825 70.653 68.868 -0.068 0.000 1.261 308 T HN 0.302 nan 8.240 nan 0.000 0.485 309 D N 1.994 122.369 120.400 -0.041 0.000 2.407 309 D HA 0.185 4.842 4.640 0.027 0.000 0.208 309 D C 0.740 177.070 176.300 0.049 0.000 1.083 309 D CA 0.312 54.309 54.000 -0.005 0.000 0.844 309 D CB 0.514 41.305 40.800 -0.015 0.000 0.967 309 D HN 0.672 nan 8.370 nan 0.000 0.506 310 N N -0.718 118.016 118.700 0.055 0.000 3.567 310 N HA -0.023 4.734 4.740 0.027 0.000 0.347 310 N C 0.997 176.582 175.510 0.124 0.000 1.553 310 N CA -0.332 52.810 53.050 0.154 0.000 0.636 310 N CB -0.222 38.439 38.487 0.291 0.000 2.483 310 N HN -0.155 nan 8.380 nan 0.000 0.608 311 H N -0.993 118.091 119.070 0.024 0.000 2.551 311 H HA 0.301 4.873 4.556 0.028 0.000 0.266 311 H C 0.055 175.389 175.328 0.010 0.000 0.964 311 H CA -0.048 56.004 56.048 0.008 0.000 1.180 311 H CB -0.377 29.399 29.762 0.024 0.000 1.408 311 H HN 0.513 nan 8.280 nan 0.000 0.563 312 L N 0.205 121.115 121.223 -0.521 0.000 2.354 312 L HA 0.665 5.022 4.340 0.027 0.000 0.264 312 L C -1.144 175.582 176.870 -0.240 0.000 1.008 312 L CA -1.617 52.951 54.840 -0.452 0.000 0.819 312 L CB 2.261 43.913 42.059 -0.678 0.000 1.339 312 L HN 0.050 nan 8.230 nan 0.000 0.420 313 L N 0.507 121.626 121.223 -0.173 0.000 2.393 313 L HA 0.820 5.177 4.340 0.027 0.000 0.260 313 L C -1.561 175.240 176.870 -0.116 0.000 1.002 313 L CA -0.803 53.962 54.840 -0.126 0.000 0.818 313 L CB 2.028 44.033 42.059 -0.091 0.000 1.369 313 L HN 0.657 nan 8.230 nan 0.000 0.412 314 L N 2.325 123.488 121.223 -0.101 0.000 2.349 314 L HA 0.665 5.022 4.340 0.027 0.000 0.278 314 L C -0.756 176.064 176.870 -0.083 0.000 0.996 314 L CA -0.909 53.874 54.840 -0.096 0.000 0.825 314 L CB 2.145 44.144 42.059 -0.099 0.000 1.243 314 L HN 0.506 nan 8.230 nan 0.000 0.412 315 V N 1.864 121.724 119.914 -0.090 0.000 2.461 315 V HA 0.127 4.264 4.120 0.027 0.000 0.275 315 V C -0.083 175.988 176.094 -0.038 0.000 1.047 315 V CA -0.460 61.797 62.300 -0.071 0.000 0.955 315 V CB 1.410 33.136 31.823 -0.161 0.000 0.988 315 V HN 0.608 nan 8.190 nan 0.000 0.471 316 D N 4.516 124.916 120.400 -0.001 0.000 2.365 316 D HA 0.226 4.883 4.640 0.027 0.000 0.237 316 D C 0.597 176.937 176.300 0.066 0.000 1.190 316 D CA -0.055 53.951 54.000 0.011 0.000 0.867 316 D CB 1.182 41.986 40.800 0.007 0.000 1.050 316 D HN 0.452 nan 8.370 nan 0.000 0.491 317 L N 3.608 124.865 121.223 0.058 0.000 2.591 317 L HA 0.177 4.533 4.340 0.027 0.000 0.228 317 L C 2.320 179.238 176.870 0.081 0.000 1.133 317 L CA -0.125 54.773 54.840 0.096 0.000 0.880 317 L CB 0.015 42.117 42.059 0.071 0.000 1.033 317 L HN 0.286 nan 8.230 nan 0.000 0.450 318 R N 0.660 121.195 120.500 0.059 0.000 2.103 318 R HA -0.178 4.179 4.340 0.027 0.000 0.242 318 R C -0.454 175.873 176.300 0.045 0.000 1.142 318 R CA 1.549 57.677 56.100 0.048 0.000 0.960 318 R CB -1.449 28.877 30.300 0.043 0.000 0.858 318 R HN 0.324 nan 8.270 nan 0.000 0.439 319 P HA -0.116 nan 4.420 nan 0.000 0.220 319 P C 0.511 177.822 177.300 0.018 0.000 1.148 319 P CA 1.191 64.308 63.100 0.028 0.000 0.803 319 P CB 0.166 31.880 31.700 0.023 0.000 0.782 320 Q N -1.189 118.635 119.800 0.041 0.000 2.360 320 Q HA 0.104 4.461 4.340 0.027 0.000 0.202 320 Q C 0.189 176.213 176.000 0.040 0.000 0.915 320 Q CA 0.140 55.964 55.803 0.036 0.000 0.943 320 Q CB -0.452 28.335 28.738 0.082 0.000 1.064 320 Q HN 0.042 nan 8.270 nan 0.000 0.511 321 Q N -0.291 119.531 119.800 0.038 0.000 2.453 321 Q HA -0.211 4.146 4.340 0.027 0.000 0.294 321 Q C -0.977 175.046 176.000 0.039 0.000 1.295 321 Q CA 0.866 56.689 55.803 0.034 0.000 0.853 321 Q CB -2.107 26.645 28.738 0.024 0.000 1.193 321 Q HN 0.403 nan 8.270 nan 0.000 0.461 322 L N -0.248 121.005 121.223 0.049 0.000 2.354 322 L HA 0.547 4.904 4.340 0.027 0.000 0.269 322 L C 0.996 177.891 176.870 0.042 0.000 1.005 322 L CA -0.766 54.103 54.840 0.048 0.000 0.819 322 L CB 1.895 43.991 42.059 0.063 0.000 1.311 322 L HN 0.133 nan 8.230 nan 0.000 0.423 323 T N -1.873 112.701 114.554 0.035 0.000 2.899 323 T HA 0.253 4.619 4.350 0.027 0.000 0.284 323 T C 1.254 175.968 174.700 0.023 0.000 1.004 323 T CA -0.075 62.042 62.100 0.029 0.000 1.043 323 T CB 1.614 70.500 68.868 0.030 0.000 1.013 323 T HN 0.711 nan 8.240 nan 0.000 0.518 324 G N 0.346 109.154 108.800 0.013 0.000 2.442 324 G HA2 -0.210 3.767 3.960 0.027 0.000 0.219 324 G HA3 -0.210 3.767 3.960 0.027 0.000 0.219 324 G C 1.372 176.276 174.900 0.006 0.000 1.141 324 G CA 0.897 45.997 45.100 0.001 0.000 0.763 324 G HN 0.852 nan 8.290 nan 0.000 0.554 325 K N -0.207 120.204 120.400 0.017 0.000 2.032 325 K HA -0.110 4.227 4.320 0.027 0.000 0.209 325 K C 2.581 179.194 176.600 0.022 0.000 1.048 325 K CA 1.772 58.074 56.287 0.024 0.000 0.927 325 K CB -0.328 32.194 32.500 0.038 0.000 0.712 325 K HN 0.266 nan 8.250 nan 0.000 0.441 326 T N 0.699 115.267 114.554 0.024 0.000 2.708 326 T HA -0.122 4.245 4.350 0.027 0.000 0.266 326 T C 1.837 176.550 174.700 0.022 0.000 1.037 326 T CA 1.339 63.454 62.100 0.025 0.000 1.146 326 T CB -0.303 68.582 68.868 0.028 0.000 0.865 326 T HN 0.428 nan 8.240 nan 0.000 0.435 327 A N 1.348 124.180 122.820 0.019 0.000 1.877 327 A HA -0.155 4.181 4.320 0.027 0.000 0.216 327 A C 2.204 179.789 177.584 0.001 0.000 1.186 327 A CA 2.006 54.049 52.037 0.011 0.000 0.620 327 A CB -0.742 18.257 19.000 -0.002 0.000 0.822 327 A HN 0.614 nan 8.150 nan 0.000 0.443 328 E N -0.150 120.049 120.200 -0.001 0.000 2.070 328 E HA -0.297 4.069 4.350 0.027 0.000 0.197 328 E C 2.112 178.716 176.600 0.007 0.000 1.004 328 E CA 1.858 58.258 56.400 -0.001 0.000 0.805 328 E CB -0.159 29.542 29.700 0.001 0.000 0.744 328 E HN 0.633 nan 8.360 nan 0.000 0.451 329 K N 0.136 120.543 120.400 0.013 0.000 2.002 329 K HA -0.137 4.200 4.320 0.027 0.000 0.209 329 K C 2.176 178.786 176.600 0.016 0.000 1.048 329 K CA 1.437 57.733 56.287 0.016 0.000 0.930 329 K CB -0.284 32.227 32.500 0.019 0.000 0.714 329 K HN 0.140 nan 8.250 nan 0.000 0.438 330 V N 1.462 121.387 119.914 0.018 0.000 2.427 330 V HA -0.183 3.954 4.120 0.027 0.000 0.248 330 V C 2.098 178.203 176.094 0.019 0.000 1.051 330 V CA 1.446 63.758 62.300 0.020 0.000 1.048 330 V CB -0.190 31.648 31.823 0.026 0.000 0.666 330 V HN 0.346 nan 8.190 nan 0.000 0.456 331 L N 0.100 121.331 121.223 0.013 0.000 2.083 331 L HA -0.182 4.174 4.340 0.027 0.000 0.209 331 L C 2.362 179.240 176.870 0.013 0.000 1.083 331 L CA 2.215 57.061 54.840 0.010 0.000 0.752 331 L CB -0.711 41.346 42.059 -0.003 0.000 0.899 331 L HN 0.458 nan 8.230 nan 0.000 0.433 332 D N 0.182 120.590 120.400 0.013 0.000 2.149 332 D HA -0.237 4.419 4.640 0.027 0.000 0.198 332 D C 1.982 178.292 176.300 0.017 0.000 0.990 332 D CA 1.299 55.308 54.000 0.015 0.000 0.839 332 D CB 0.115 40.924 40.800 0.014 0.000 0.948 332 D HN 0.328 nan 8.370 nan 0.000 0.460 333 E N -0.534 119.677 120.200 0.018 0.000 2.204 333 E HA -0.127 4.240 4.350 0.027 0.000 0.195 333 E C 2.047 178.659 176.600 0.020 0.000 0.990 333 E CA 1.217 57.627 56.400 0.018 0.000 0.821 333 E CB 0.121 29.832 29.700 0.018 0.000 0.750 333 E HN 0.466 nan 8.360 nan 0.000 0.477 334 V N -3.531 116.396 119.914 0.021 0.000 3.621 334 V HA 0.444 4.581 4.120 0.027 0.000 0.285 334 V C 1.110 177.219 176.094 0.026 0.000 1.346 334 V CA 0.466 62.781 62.300 0.024 0.000 1.104 334 V CB 0.289 32.128 31.823 0.026 0.000 0.913 334 V HN 0.240 nan 8.190 nan 0.000 0.432 335 G N 0.887 109.702 108.800 0.025 0.000 2.134 335 G HA2 -0.180 3.797 3.960 0.027 0.000 0.209 335 G HA3 -0.180 3.797 3.960 0.027 0.000 0.209 335 G C -0.227 174.691 174.900 0.030 0.000 0.993 335 G CA 0.143 45.260 45.100 0.027 0.000 0.669 335 G HN 0.592 nan 8.290 nan 0.000 0.519 336 I N 1.972 122.557 120.570 0.025 0.000 2.339 336 I HA 0.358 4.544 4.170 0.027 0.000 0.290 336 I C 0.101 176.226 176.117 0.013 0.000 0.994 336 I CA -0.597 60.716 61.300 0.022 0.000 1.191 336 I CB 1.810 39.822 38.000 0.019 0.000 1.343 336 I HN 0.027 nan 8.210 nan 0.000 0.458 337 T N 6.484 121.045 114.554 0.012 0.000 2.738 337 T HA 0.475 4.842 4.350 0.027 0.000 0.298 337 T C 0.018 174.716 174.700 -0.003 0.000 0.962 337 T CA -0.545 61.560 62.100 0.007 0.000 0.972 337 T CB 0.835 69.711 68.868 0.013 0.000 0.928 337 T HN 0.434 nan 8.240 nan 0.000 0.474 338 V N 1.138 121.047 119.914 -0.009 0.000 3.155 338 V HA 0.774 4.911 4.120 0.027 0.000 0.313 338 V C -0.915 175.171 176.094 -0.013 0.000 1.162 338 V CA -1.417 60.872 62.300 -0.019 0.000 1.048 338 V CB 2.373 34.174 31.823 -0.037 0.000 1.092 338 V HN 0.871 nan 8.190 nan 0.000 0.447 339 N N 0.351 119.041 118.700 -0.017 0.000 2.269 339 N HA 0.368 5.125 4.740 0.027 0.000 0.304 339 N C -0.804 174.691 175.510 -0.026 0.000 1.072 339 N CA -0.865 52.176 53.050 -0.015 0.000 0.802 339 N CB 2.614 41.097 38.487 -0.007 0.000 1.348 339 N HN 0.968 nan 8.380 nan 0.000 0.484 340 K N 1.059 121.446 120.400 -0.023 0.000 2.469 340 K HA 0.059 4.395 4.320 0.027 0.000 0.274 340 K C -0.928 175.646 176.600 -0.042 0.000 0.983 340 K CA -0.020 56.250 56.287 -0.029 0.000 0.974 340 K CB 0.306 32.796 32.500 -0.017 0.000 0.913 340 K HN 0.718 nan 8.250 nan 0.000 0.493 341 N N 0.584 119.256 118.700 -0.048 0.000 2.452 341 N HA 0.108 4.864 4.740 0.027 0.000 0.277 341 N C -1.712 173.763 175.510 -0.057 0.000 1.078 341 N CA -0.472 52.543 53.050 -0.058 0.000 0.947 341 N CB 2.031 40.484 38.487 -0.057 0.000 1.655 341 N HN 0.638 nan 8.380 nan 0.000 0.490 342 T N 2.938 117.454 114.554 -0.065 0.000 2.946 342 T HA 0.212 4.578 4.350 0.027 0.000 0.311 342 T C 0.498 175.164 174.700 -0.057 0.000 1.063 342 T CA 0.165 62.233 62.100 -0.055 0.000 1.139 342 T CB -0.208 68.624 68.868 -0.060 0.000 0.994 342 T HN 0.411 nan 8.240 nan 0.000 0.547 343 I N 0.926 121.461 120.570 -0.059 0.000 2.676 343 I HA 0.611 4.798 4.170 0.027 0.000 0.309 343 I C -2.773 173.281 176.117 -0.105 0.000 0.990 343 I CA -3.515 57.727 61.300 -0.097 0.000 1.168 343 I CB 1.119 39.054 38.000 -0.108 0.000 1.343 343 I HN 0.284 nan 8.210 nan 0.000 0.482 344 P HA 0.018 nan 4.420 nan 0.000 0.262 344 P C -1.239 176.013 177.300 -0.081 0.000 1.182 344 P CA 0.711 63.602 63.100 -0.349 0.000 0.761 344 P CB -0.206 31.330 31.700 -0.272 0.000 0.795 345 Y N -0.548 119.700 120.300 -0.087 0.000 3.825 345 Y HA -0.266 4.301 4.550 0.028 0.000 0.221 345 Y C 0.818 176.732 175.900 0.025 0.000 1.195 345 Y CA 0.351 58.468 58.100 0.029 0.000 1.699 345 Y CB -2.461 36.013 38.460 0.022 0.000 1.531 345 Y HN 0.396 nan 8.280 nan 0.000 0.640 346 D N 2.107 122.551 120.400 0.073 0.000 2.450 346 D HA 0.024 4.680 4.640 0.027 0.000 0.247 346 D C -0.806 175.533 176.300 0.065 0.000 1.162 346 D CA -0.919 53.112 54.000 0.052 0.000 0.879 346 D CB 1.096 41.904 40.800 0.014 0.000 1.163 346 D HN 0.170 nan 8.370 nan 0.000 0.472 347 P HA 0.006 nan 4.420 nan 0.000 0.233 347 P C -0.049 177.279 177.300 0.047 0.000 1.167 347 P CA 0.488 63.624 63.100 0.059 0.000 0.770 347 P CB 0.606 32.339 31.700 0.054 0.000 0.837 348 E N 0.491 120.716 120.200 0.042 0.000 2.250 348 E HA 0.243 4.610 4.350 0.027 0.000 0.269 348 E C 0.397 177.023 176.600 0.044 0.000 1.018 348 E CA -0.471 55.954 56.400 0.042 0.000 0.873 348 E CB 1.334 31.056 29.700 0.038 0.000 1.134 348 E HN 0.050 nan 8.360 nan 0.000 0.403 349 S N 1.339 117.079 115.700 0.066 0.000 2.576 349 S HA 0.082 4.569 4.470 0.027 0.000 0.272 349 S C -1.572 173.063 174.600 0.059 0.000 1.352 349 S CA -0.916 57.340 58.200 0.093 0.000 1.021 349 S CB 0.663 63.965 63.200 0.170 0.000 0.887 349 S HN 0.264 nan 8.310 nan 0.000 0.542 350 P HA -0.034 nan 4.420 nan 0.000 0.228 350 P C 0.623 177.762 177.300 -0.268 0.000 1.151 350 P CA 1.038 64.033 63.100 -0.175 0.000 0.770 350 P CB -0.216 31.302 31.700 -0.304 0.000 0.786 351 F N -1.501 118.440 119.950 -0.016 0.000 2.743 351 F HA 0.022 4.566 4.527 0.027 0.000 0.297 351 F C 2.159 177.955 175.800 -0.007 0.000 1.131 351 F CA 0.424 58.417 58.000 -0.012 0.000 1.426 351 F CB -0.218 38.776 39.000 -0.011 0.000 1.116 351 F HN -0.254 nan 8.300 nan 0.000 0.583 352 V N -1.819 118.178 119.914 0.137 0.000 3.001 352 V HA 0.147 4.284 4.120 0.027 0.000 0.228 352 V C 0.600 176.717 176.094 0.038 0.000 1.204 352 V CA 0.947 63.297 62.300 0.082 0.000 1.247 352 V CB 0.003 31.873 31.823 0.078 0.000 1.093 352 V HN 0.380 nan 8.190 nan 0.000 0.504 353 T N -0.847 113.722 114.554 0.025 0.000 0.541 353 T HA -0.223 4.143 4.350 0.027 0.000 0.774 353 T C 0.149 174.855 174.700 0.010 0.000 0.992 353 T CA 0.385 62.487 62.100 0.003 0.000 4.077 353 T CB -1.433 67.422 68.868 -0.021 0.000 2.303 353 T HN 0.346 nan 8.240 nan 0.000 0.398 354 S N 1.074 116.776 115.700 0.003 0.000 2.593 354 S HA 0.585 5.072 4.470 0.027 0.000 0.236 354 S C 0.741 175.339 174.600 -0.002 0.000 0.991 354 S CA -0.041 58.164 58.200 0.009 0.000 0.963 354 S CB 0.637 63.847 63.200 0.016 0.000 0.865 354 S HN 1.239 nan 8.310 nan 0.000 0.488 355 G N 1.574 110.363 108.800 -0.018 0.000 2.672 355 G HA2 0.717 4.693 3.960 0.027 0.000 0.292 355 G HA3 0.717 4.693 3.960 0.027 0.000 0.292 355 G C -1.236 173.638 174.900 -0.043 0.000 1.375 355 G CA -0.892 44.187 45.100 -0.035 0.000 0.890 355 G HN 0.309 nan 8.290 nan 0.000 0.476 356 I N -1.783 118.750 120.570 -0.061 0.000 2.509 356 I HA 0.740 4.926 4.170 0.027 0.000 0.293 356 I C -0.342 175.728 176.117 -0.078 0.000 1.020 356 I CA -1.196 60.064 61.300 -0.068 0.000 1.088 356 I CB 2.451 40.403 38.000 -0.079 0.000 1.267 356 I HN 0.436 nan 8.210 nan 0.000 0.430 357 R N 5.814 126.274 120.500 -0.067 0.000 2.368 357 R HA 0.765 5.121 4.340 0.027 0.000 0.302 357 R C -1.512 174.749 176.300 -0.065 0.000 1.002 357 R CA -0.519 55.538 56.100 -0.071 0.000 0.929 357 R CB 1.275 31.539 30.300 -0.061 0.000 1.073 357 R HN 0.815 nan 8.270 nan 0.000 0.464 358 I N 2.417 122.940 120.570 -0.079 0.000 2.582 358 I HA 0.471 4.658 4.170 0.027 0.000 0.292 358 I C -0.066 176.009 176.117 -0.072 0.000 1.066 358 I CA -0.761 60.500 61.300 -0.066 0.000 1.053 358 I CB 2.524 40.478 38.000 -0.077 0.000 1.241 358 I HN 0.779 nan 8.210 nan 0.000 0.421 359 G N 1.197 109.977 108.800 -0.034 0.000 2.619 359 G HA2 0.504 4.480 3.960 0.027 0.000 0.296 359 G HA3 0.504 4.480 3.960 0.027 0.000 0.296 359 G C 0.059 174.970 174.900 0.018 0.000 1.334 359 G CA -0.251 44.841 45.100 -0.013 0.000 0.934 359 G HN 0.586 nan 8.290 nan 0.000 0.476 360 T N -2.169 112.411 114.554 0.043 0.000 3.054 360 T HA 0.374 4.740 4.350 0.027 0.000 0.255 360 T C 2.152 176.880 174.700 0.047 0.000 1.035 360 T CA 1.230 63.352 62.100 0.036 0.000 0.941 360 T CB 0.646 69.533 68.868 0.031 0.000 1.026 360 T HN 0.740 nan 8.240 nan 0.000 0.533 361 A N 2.031 124.897 122.820 0.076 0.000 1.883 361 A HA 0.242 4.578 4.320 0.027 0.000 0.217 361 A C 2.722 180.380 177.584 0.125 0.000 1.186 361 A CA 1.898 53.996 52.037 0.102 0.000 0.624 361 A CB -1.409 17.656 19.000 0.108 0.000 0.822 361 A HN 0.727 nan 8.150 nan 0.000 0.444 362 A N -0.134 122.681 122.820 -0.007 0.000 1.855 362 A HA -0.004 4.332 4.320 0.027 0.000 0.215 362 A C 2.356 179.981 177.584 0.068 0.000 1.191 362 A CA 2.444 54.413 52.037 -0.112 0.000 0.613 362 A CB -1.385 17.392 19.000 -0.371 0.000 0.829 362 A HN 1.180 nan 8.150 nan 0.000 0.442 363 V N -2.325 117.560 119.914 -0.049 0.000 2.490 363 V HA -0.186 3.950 4.120 0.027 0.000 0.250 363 V C 2.147 178.190 176.094 -0.086 0.000 1.061 363 V CA 2.703 64.836 62.300 -0.278 0.000 1.064 363 V CB -1.918 29.670 31.823 -0.392 0.000 0.670 363 V HN 0.437 nan 8.190 nan 0.000 0.461 364 T N 0.374 114.986 114.554 0.097 0.000 2.777 364 T HA -0.147 4.219 4.350 0.027 0.000 0.266 364 T C 1.948 176.835 174.700 0.311 0.000 1.040 364 T CA 2.163 64.389 62.100 0.210 0.000 1.141 364 T CB -0.623 68.332 68.868 0.144 0.000 0.868 364 T HN 0.641 nan 8.240 nan 0.000 0.444 365 T N 2.374 117.129 114.554 0.335 0.000 2.720 365 T HA -0.135 4.231 4.350 0.027 0.000 0.268 365 T C 1.893 176.672 174.700 0.132 0.000 1.037 365 T CA 1.249 63.453 62.100 0.173 0.000 1.144 365 T CB -0.230 68.725 68.868 0.145 0.000 0.864 365 T HN 0.579 nan 8.240 nan 0.000 0.444 366 R N 1.030 121.605 120.500 0.126 0.000 2.319 366 R HA 0.300 4.657 4.340 0.027 0.000 0.204 366 R C 1.393 177.788 176.300 0.159 0.000 0.954 366 R CA 0.703 56.834 56.100 0.052 0.000 1.066 366 R CB -0.192 30.050 30.300 -0.097 0.000 0.991 366 R HN 0.350 nan 8.270 nan 0.000 0.486 367 G N 0.452 109.377 108.800 0.207 0.000 2.141 367 G HA2 -0.258 3.718 3.960 0.027 0.000 0.231 367 G HA3 -0.258 3.718 3.960 0.027 0.000 0.231 367 G C -0.055 175.055 174.900 0.350 0.000 0.984 367 G CA -0.374 44.870 45.100 0.240 0.000 0.660 367 G HN 0.336 nan 8.290 nan 0.000 0.525 368 F N 0.788 120.778 119.950 0.067 0.000 2.518 368 F HA 0.445 4.990 4.527 0.030 0.000 0.359 368 F C 1.501 177.328 175.800 0.044 0.000 1.118 368 F CA 0.243 58.272 58.000 0.048 0.000 1.287 368 F CB 1.023 40.053 39.000 0.050 0.000 1.132 368 F HN 0.222 nan 8.300 nan 0.000 0.587 369 G N 1.991 110.881 108.800 0.150 0.000 3.262 369 G HA2 0.397 4.374 3.960 0.027 0.000 0.229 369 G HA3 0.397 4.374 3.960 0.027 0.000 0.229 369 G C 0.507 175.441 174.900 0.056 0.000 1.280 369 G CA -0.790 44.363 45.100 0.088 0.000 0.951 369 G HN 0.565 nan 8.290 nan 0.000 0.589 370 L N -0.050 121.192 121.223 0.032 0.000 2.046 370 L HA -0.045 4.312 4.340 0.027 0.000 0.208 370 L C 2.809 179.684 176.870 0.007 0.000 1.077 370 L CA 1.069 55.922 54.840 0.022 0.000 0.747 370 L CB -0.304 41.765 42.059 0.015 0.000 0.896 370 L HN 0.363 nan 8.230 nan 0.000 0.432 371 E N 0.461 120.654 120.200 -0.013 0.000 2.077 371 E HA -0.215 4.151 4.350 0.027 0.000 0.193 371 E C 2.107 178.675 176.600 -0.054 0.000 0.989 371 E CA 1.233 57.614 56.400 -0.032 0.000 0.800 371 E CB -0.155 29.517 29.700 -0.046 0.000 0.746 371 E HN 0.476 nan 8.360 nan 0.000 0.452 372 E N 0.076 120.221 120.200 -0.091 0.000 2.106 372 E HA -0.106 4.261 4.350 0.027 0.000 0.192 372 E C 1.962 178.562 176.600 0.001 0.000 0.984 372 E CA 0.752 57.064 56.400 -0.147 0.000 0.806 372 E CB -0.153 29.311 29.700 -0.393 0.000 0.750 372 E HN 0.138 nan 8.360 nan 0.000 0.458 373 M N 0.800 120.429 119.600 0.048 0.000 2.086 373 M HA -0.148 4.348 4.480 0.027 0.000 0.261 373 M C 1.414 177.740 176.300 0.043 0.000 1.067 373 M CA 1.446 56.786 55.300 0.067 0.000 1.116 373 M CB -1.007 31.629 32.600 0.059 0.000 1.348 373 M HN 0.039 nan 8.290 nan 0.000 0.407 374 D N 0.186 120.601 120.400 0.025 0.000 2.116 374 D HA -0.206 4.450 4.640 0.027 0.000 0.193 374 D C 2.000 178.314 176.300 0.024 0.000 0.998 374 D CA 1.578 55.592 54.000 0.023 0.000 0.836 374 D CB -0.247 40.559 40.800 0.011 0.000 0.951 374 D HN 0.408 nan 8.370 nan 0.000 0.449 375 E N 0.431 120.636 120.200 0.009 0.000 2.072 375 E HA -0.067 4.299 4.350 0.027 0.000 0.190 375 E C 2.146 178.764 176.600 0.030 0.000 0.982 375 E CA 0.592 56.996 56.400 0.007 0.000 0.803 375 E CB -0.365 29.319 29.700 -0.027 0.000 0.755 375 E HN 0.284 nan 8.360 nan 0.000 0.453 376 I N 0.618 121.216 120.570 0.047 0.000 2.163 376 I HA -0.307 3.879 4.170 0.027 0.000 0.243 376 I C 2.395 178.541 176.117 0.048 0.000 1.085 376 I CA 1.241 62.581 61.300 0.066 0.000 1.347 376 I CB -0.438 37.623 38.000 0.102 0.000 1.044 376 I HN 0.225 nan 8.210 nan 0.000 0.408 377 A N 0.631 123.480 122.820 0.049 0.000 1.902 377 A HA -0.180 4.157 4.320 0.027 0.000 0.217 377 A C 2.541 180.182 177.584 0.096 0.000 1.181 377 A CA 1.906 53.980 52.037 0.061 0.000 0.623 377 A CB -0.882 18.159 19.000 0.069 0.000 0.818 377 A HN 0.443 nan 8.150 nan 0.000 0.443 378 A N -0.164 122.701 122.820 0.074 0.000 1.902 378 A HA -0.079 4.257 4.320 0.027 0.000 0.217 378 A C 2.110 179.739 177.584 0.075 0.000 1.181 378 A CA 1.563 53.643 52.037 0.072 0.000 0.623 378 A CB -0.593 18.433 19.000 0.044 0.000 0.818 378 A HN 0.505 nan 8.150 nan 0.000 0.443 379 I N -0.390 120.217 120.570 0.061 0.000 2.252 379 I HA -0.232 3.955 4.170 0.027 0.000 0.245 379 I C 2.270 178.428 176.117 0.069 0.000 1.102 379 I CA 1.162 62.496 61.300 0.056 0.000 1.385 379 I CB -0.296 37.731 38.000 0.045 0.000 1.064 379 I HN 0.293 nan 8.210 nan 0.000 0.414 380 I N 0.691 121.300 120.570 0.064 0.000 2.179 380 I HA -0.235 3.951 4.170 0.027 0.000 0.242 380 I C 2.703 178.932 176.117 0.187 0.000 1.088 380 I CA 1.672 63.001 61.300 0.048 0.000 1.357 380 I CB -1.001 36.952 38.000 -0.078 0.000 1.051 380 I HN 0.286 nan 8.210 nan 0.000 0.409 381 G N 1.239 110.225 108.800 0.310 0.000 2.459 381 G HA2 -0.304 3.672 3.960 0.027 0.000 0.217 381 G HA3 -0.304 3.672 3.960 0.027 0.000 0.217 381 G C 1.656 176.661 174.900 0.176 0.000 1.183 381 G CA 0.965 46.282 45.100 0.362 0.000 0.776 381 G HN 0.285 nan 8.290 nan 0.000 0.552 382 L N 0.704 121.995 121.223 0.114 0.000 2.013 382 L HA -0.109 4.248 4.340 0.027 0.000 0.212 382 L C 2.929 179.842 176.870 0.073 0.000 1.073 382 L CA 1.793 56.676 54.840 0.072 0.000 0.753 382 L CB -0.594 41.498 42.059 0.054 0.000 0.890 382 L HN 0.108 nan 8.230 nan 0.000 0.432 383 V N -0.426 119.538 119.914 0.083 0.000 2.270 383 V HA -0.278 3.859 4.120 0.027 0.000 0.245 383 V C 2.483 178.630 176.094 0.088 0.000 1.043 383 V CA 2.034 64.376 62.300 0.071 0.000 1.014 383 V CB -0.561 31.296 31.823 0.057 0.000 0.645 383 V HN 0.446 nan 8.190 nan 0.000 0.447 384 L N -0.545 120.763 121.223 0.142 0.000 2.291 384 L HA -0.095 4.262 4.340 0.027 0.000 0.214 384 L C 2.261 179.211 176.870 0.134 0.000 1.120 384 L CA 1.280 56.223 54.840 0.171 0.000 0.799 384 L CB -0.507 41.734 42.059 0.304 0.000 0.925 384 L HN 0.317 nan 8.230 nan 0.000 0.446 385 K N 0.225 120.687 120.400 0.102 0.000 2.426 385 K HA 0.048 4.385 4.320 0.027 0.000 0.193 385 K C -0.038 176.580 176.600 0.029 0.000 1.028 385 K CA 0.329 56.638 56.287 0.036 0.000 1.047 385 K CB 0.168 32.666 32.500 -0.003 0.000 0.821 385 K HN 0.319 nan 8.250 nan 0.000 0.513 386 N N -0.040 118.684 118.700 0.041 0.000 2.628 386 N HA -0.026 4.730 4.740 0.027 0.000 0.299 386 N C 0.547 176.077 175.510 0.032 0.000 1.834 386 N CA -0.093 52.975 53.050 0.030 0.000 0.871 386 N CB 1.400 39.903 38.487 0.027 0.000 1.377 386 N HN -0.110 nan 8.380 nan 0.000 0.493 387 V N -2.586 117.349 119.914 0.035 0.000 2.720 387 V HA 0.049 4.186 4.120 0.027 0.000 0.256 387 V C 1.673 177.782 176.094 0.026 0.000 1.082 387 V CA 2.014 64.335 62.300 0.034 0.000 1.101 387 V CB -0.575 31.270 31.823 0.037 0.000 0.693 387 V HN 0.329 nan 8.190 nan 0.000 0.479 388 G N -0.279 108.534 108.800 0.022 0.000 3.042 388 G HA2 0.149 4.126 3.960 0.027 0.000 0.212 388 G HA3 0.149 4.126 3.960 0.027 0.000 0.212 388 G C 0.663 175.573 174.900 0.016 0.000 1.166 388 G CA 0.648 45.759 45.100 0.018 0.000 0.767 388 G HN 0.578 nan 8.290 nan 0.000 0.546 389 S N 0.478 116.189 115.700 0.017 0.000 2.474 389 S HA 0.312 4.799 4.470 0.027 0.000 0.320 389 S C 1.094 175.704 174.600 0.016 0.000 1.067 389 S CA -0.571 57.638 58.200 0.016 0.000 1.127 389 S CB 0.793 64.002 63.200 0.015 0.000 0.971 389 S HN 0.164 nan 8.310 nan 0.000 0.472 390 E N 3.441 123.650 120.200 0.014 0.000 2.153 390 E HA -0.200 4.166 4.350 0.027 0.000 0.194 390 E C 2.126 178.735 176.600 0.014 0.000 0.988 390 E CA 1.215 57.624 56.400 0.014 0.000 0.811 390 E CB -0.076 29.631 29.700 0.013 0.000 0.746 390 E HN 0.971 nan 8.360 nan 0.000 0.466 391 Q N 0.255 120.063 119.800 0.013 0.000 2.079 391 Q HA -0.039 4.318 4.340 0.027 0.000 0.200 391 Q C 2.135 178.144 176.000 0.015 0.000 0.974 391 Q CA 1.572 57.383 55.803 0.013 0.000 0.840 391 Q CB -0.371 28.373 28.738 0.011 0.000 0.898 391 Q HN 0.129 nan 8.270 nan 0.000 0.430 392 A N 1.908 124.738 122.820 0.017 0.000 1.902 392 A HA -0.085 4.251 4.320 0.027 0.000 0.217 392 A C 2.268 179.866 177.584 0.023 0.000 1.181 392 A CA 1.284 53.333 52.037 0.020 0.000 0.623 392 A CB -0.698 18.315 19.000 0.022 0.000 0.818 392 A HN 0.382 nan 8.150 nan 0.000 0.443 393 L N -0.949 120.288 121.223 0.022 0.000 2.093 393 L HA -0.172 4.184 4.340 0.027 0.000 0.208 393 L C 2.626 179.509 176.870 0.021 0.000 1.085 393 L CA 1.658 56.512 54.840 0.023 0.000 0.755 393 L CB -0.516 41.557 42.059 0.022 0.000 0.904 393 L HN 0.441 nan 8.230 nan 0.000 0.435 394 E N 0.788 120.999 120.200 0.018 0.000 2.072 394 E HA -0.257 4.109 4.350 0.027 0.000 0.191 394 E C 2.025 178.635 176.600 0.017 0.000 0.985 394 E CA 1.403 57.813 56.400 0.017 0.000 0.801 394 E CB -0.016 29.692 29.700 0.014 0.000 0.750 394 E HN 0.401 nan 8.360 nan 0.000 0.452 395 E N -0.371 119.839 120.200 0.017 0.000 2.058 395 E HA -0.234 4.133 4.350 0.027 0.000 0.194 395 E C 1.941 178.553 176.600 0.020 0.000 0.997 395 E CA 1.152 57.562 56.400 0.017 0.000 0.801 395 E CB -0.257 29.453 29.700 0.016 0.000 0.746 395 E HN 0.321 nan 8.360 nan 0.000 0.450 396 A N 1.510 124.344 122.820 0.024 0.000 1.883 396 A HA -0.241 4.096 4.320 0.027 0.000 0.217 396 A C 2.223 179.823 177.584 0.027 0.000 1.186 396 A CA 1.777 53.830 52.037 0.028 0.000 0.624 396 A CB -0.665 18.354 19.000 0.032 0.000 0.822 396 A HN 0.248 nan 8.150 nan 0.000 0.444 397 R N -0.632 119.883 120.500 0.024 0.000 2.083 397 R HA -0.206 4.150 4.340 0.027 0.000 0.237 397 R C 2.459 178.773 176.300 0.023 0.000 1.137 397 R CA 2.043 58.157 56.100 0.024 0.000 0.951 397 R CB -0.303 30.010 30.300 0.021 0.000 0.851 397 R HN 0.722 nan 8.270 nan 0.000 0.434 398 Q N -0.587 119.225 119.800 0.020 0.000 2.119 398 Q HA -0.150 4.206 4.340 0.027 0.000 0.201 398 Q C 2.191 178.201 176.000 0.016 0.000 0.972 398 Q CA 1.517 57.330 55.803 0.017 0.000 0.847 398 Q CB 0.038 28.785 28.738 0.014 0.000 0.903 398 Q HN 0.326 nan 8.270 nan 0.000 0.433 399 R N -0.324 120.186 120.500 0.017 0.000 2.115 399 R HA -0.068 4.289 4.340 0.027 0.000 0.226 399 R C 2.297 178.609 176.300 0.020 0.000 1.100 399 R CA 0.886 56.994 56.100 0.014 0.000 0.980 399 R CB -0.182 30.127 30.300 0.015 0.000 0.875 399 R HN 0.066 nan 8.270 nan 0.000 0.445 400 V N 1.099 121.031 119.914 0.031 0.000 2.295 400 V HA -0.269 3.868 4.120 0.027 0.000 0.246 400 V C 2.434 178.554 176.094 0.043 0.000 1.049 400 V CA 2.077 64.404 62.300 0.046 0.000 1.024 400 V CB -0.721 31.129 31.823 0.046 0.000 0.648 400 V HN 0.418 nan 8.190 nan 0.000 0.447 401 A N -0.046 122.793 122.820 0.032 0.000 1.908 401 A HA -0.172 4.165 4.320 0.027 0.000 0.218 401 A C 2.423 180.021 177.584 0.023 0.000 1.181 401 A CA 2.210 54.265 52.037 0.029 0.000 0.627 401 A CB -0.833 18.183 19.000 0.027 0.000 0.818 401 A HN 0.606 nan 8.150 nan 0.000 0.445 402 A N -0.481 122.347 122.820 0.013 0.000 1.940 402 A HA -0.059 4.277 4.320 0.027 0.000 0.219 402 A C 2.177 179.749 177.584 -0.021 0.000 1.176 402 A CA 1.551 53.587 52.037 -0.003 0.000 0.631 402 A CB -0.527 18.466 19.000 -0.010 0.000 0.814 402 A HN 0.490 nan 8.150 nan 0.000 0.446 403 L N -0.458 120.754 121.223 -0.019 0.000 2.072 403 L HA -0.116 4.240 4.340 0.027 0.000 0.205 403 L C 2.796 179.688 176.870 0.038 0.000 1.079 403 L CA 1.765 56.567 54.840 -0.063 0.000 0.752 403 L CB -0.517 41.529 42.059 -0.022 0.000 0.906 403 L HN 0.625 nan 8.230 nan 0.000 0.436 404 T N -3.991 110.614 114.554 0.084 0.000 3.100 404 T HA 0.026 4.393 4.350 0.027 0.000 0.253 404 T C 0.509 175.182 174.700 -0.045 0.000 1.118 404 T CA 0.157 62.266 62.100 0.016 0.000 1.058 404 T CB -0.092 68.727 68.868 -0.083 0.000 0.953 404 T HN 0.524 nan 8.240 nan 0.000 0.515 405 D N 0.000 120.415 120.400 0.025 0.000 6.856 405 D HA 0.000 4.656 4.640 0.027 0.000 0.175 405 D CA 0.000 54.036 54.000 0.061 0.000 0.868 405 D CB 0.000 40.850 40.800 0.083 0.000 0.688 405 D HN 0.000 nan 8.370 nan 0.000 0.683