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 3k2w_1_C DATA FIRST_RESID 5 DATA SEQUENCE DLHFKNKVNF IGGQYVPSNE SDTIDILSPS TGKVIGEIPA GCKADAENAL DATA SEQUENCE EVAQAAQKAW AKLTARTRQN MLRTFANKIR ENKHILAPML VAEQGKLLSV DATA SEQUENCE AEMEVDVTAT FIDYGCDNAL TIEGDILPSD NQDEKIYIHK VPRGVVVGIT DATA SEQUENCE AWNFPLALAG RKIGPALITG NTMVLKPTQE TPLATTELGR IAKEAGLPDG DATA SEQUENCE VLNVINGTGS VVGQTLCESP ITKMITMTGS TVAGKQIYKT SAEYMTPVML DATA SEQUENCE ELGGKAPMVV MDDADLDKAA EDALWGRFAN CGQVCTCVER LYVHASVYDE DATA SEQUENCE FMAKFLPLVK GLKVGDPMDA DSQMGPKCNQ REIDNIDHIV HEAIKQGATV DATA SEQUENCE ATGGKTATVE GFEGGCWYEP TVLVDVKQDN IVVHEETFGP ILPIVKVSSM DATA SEQUENCE EQAIEFCNDS IYGLSAYVHT QSFANINQAI SDLEVGEVYI NRGMGEQHQG DATA SEQUENCE FHNGWKQSGF GGEDGKFGLE QYLEKKTVYI NEAE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.166 176.300 -0.223 0.000 2.045 5 D CA 0.000 53.919 54.000 -0.136 0.000 0.868 5 D CB 0.000 40.763 40.800 -0.061 0.000 0.688 6 L N 1.434 122.456 121.223 -0.334 0.000 2.399 6 L HA 0.421 4.761 4.340 -0.000 0.000 0.266 6 L C 0.314 176.844 176.870 -0.566 0.000 1.114 6 L CA -0.461 54.105 54.840 -0.458 0.000 0.804 6 L CB 0.974 42.567 42.059 -0.776 0.000 1.146 6 L HN 0.093 nan 8.230 nan 0.000 0.451 7 H N 2.488 121.359 119.070 -0.332 0.000 2.638 7 H HA 0.231 4.787 4.556 0.000 0.000 0.242 7 H C -0.668 174.572 175.328 -0.147 0.000 1.610 7 H CA -0.473 55.462 56.048 -0.187 0.000 1.275 7 H CB 0.050 29.746 29.762 -0.110 0.000 1.583 7 H HN 0.280 nan 8.280 nan 0.000 0.556 8 F N 1.916 121.858 119.950 -0.013 0.000 2.518 8 F HA 0.011 4.538 4.527 -0.000 0.000 0.359 8 F C 1.283 177.049 175.800 -0.057 0.000 1.118 8 F CA -0.167 57.815 58.000 -0.030 0.000 1.287 8 F CB 0.668 39.647 39.000 -0.035 0.000 1.132 8 F HN 0.081 nan 8.300 nan 0.000 0.587 9 K N 3.667 124.139 120.400 0.120 0.000 2.171 9 K HA 0.138 4.458 4.320 -0.000 0.000 0.274 9 K C -0.490 176.106 176.600 -0.006 0.000 1.110 9 K CA -0.192 56.053 56.287 -0.069 0.000 0.952 9 K CB -0.473 31.870 32.500 -0.261 0.000 1.309 9 K HN 0.477 nan 8.250 nan 0.000 0.414 10 N N 1.912 120.617 118.700 0.008 0.000 2.524 10 N HA 0.086 4.826 4.740 -0.000 0.000 0.283 10 N C 0.120 175.636 175.510 0.010 0.000 1.142 10 N CA -0.272 52.784 53.050 0.009 0.000 0.984 10 N CB 0.882 39.380 38.487 0.017 0.000 1.155 10 N HN 0.283 nan 8.380 nan 0.000 0.467 11 K N -1.654 118.754 120.400 0.014 0.000 3.016 11 K HA -0.183 4.137 4.320 -0.000 0.000 0.262 11 K C -0.506 176.122 176.600 0.047 0.000 1.043 11 K CA 0.433 56.734 56.287 0.024 0.000 0.761 11 K CB -1.771 30.740 32.500 0.018 0.000 1.230 11 K HN 0.462 nan 8.250 nan 0.000 0.485 12 V N -2.903 117.054 119.914 0.071 0.000 2.971 12 V HA 0.600 4.720 4.120 -0.000 0.000 0.309 12 V C -0.261 175.942 176.094 0.180 0.000 1.130 12 V CA -1.319 61.059 62.300 0.131 0.000 0.964 12 V CB 2.223 34.151 31.823 0.175 0.000 1.029 12 V HN 0.082 nan 8.190 nan 0.000 0.427 13 N N 1.126 119.936 118.700 0.184 0.000 2.485 13 N HA 0.590 5.330 4.740 -0.000 0.000 0.280 13 N C -1.366 174.312 175.510 0.280 0.000 1.205 13 N CA -0.450 52.720 53.050 0.199 0.000 0.959 13 N CB 1.848 40.397 38.487 0.103 0.000 1.206 13 N HN 0.881 nan 8.380 nan 0.000 0.545 14 F N 1.280 121.256 119.950 0.043 0.000 2.347 14 F HA 0.544 5.071 4.527 -0.000 0.000 0.366 14 F C -0.789 174.941 175.800 -0.118 0.000 1.107 14 F CA -0.593 57.322 58.000 -0.142 0.000 1.058 14 F CB 0.301 39.148 39.000 -0.255 0.000 1.236 14 F HN 0.228 nan 8.300 nan 0.000 0.456 15 I N 4.673 124.981 120.570 -0.437 0.000 2.533 15 I HA 0.385 4.555 4.170 -0.000 0.000 0.290 15 I C 0.632 176.480 176.117 -0.448 0.000 1.056 15 I CA -1.047 60.068 61.300 -0.308 0.000 1.057 15 I CB 1.996 39.905 38.000 -0.153 0.000 1.240 15 I HN 0.742 nan 8.210 nan 0.000 0.423 16 G N 4.040 112.632 108.800 -0.347 0.000 2.356 16 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.296 16 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.296 16 G C 0.978 175.639 174.900 -0.399 0.000 1.022 16 G CA 0.768 45.688 45.100 -0.301 0.000 0.961 16 G HN 1.636 nan 8.290 nan 0.000 0.510 17 G N -2.362 106.061 108.800 -0.628 0.000 2.179 17 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.260 17 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.260 17 G C 0.134 174.575 174.900 -0.765 0.000 0.977 17 G CA 1.168 45.933 45.100 -0.557 0.000 0.641 17 G HN 1.262 nan 8.290 nan 0.000 0.533 18 Q N -0.990 118.179 119.800 -1.052 0.000 2.397 18 Q HA 0.507 4.847 4.340 -0.000 0.000 0.275 18 Q C -0.971 174.631 176.000 -0.663 0.000 1.090 18 Q CA -0.921 54.505 55.803 -0.629 0.000 0.809 18 Q CB 1.363 29.932 28.738 -0.281 0.000 1.362 18 Q HN 0.249 nan 8.270 nan 0.000 0.431 19 Y N 0.860 121.120 120.300 -0.066 0.000 2.537 19 Y HA 0.221 4.772 4.550 0.000 0.000 0.339 19 Y C 0.711 176.605 175.900 -0.010 0.000 1.066 19 Y CA -0.316 57.821 58.100 0.061 0.000 1.357 19 Y CB 0.299 38.856 38.460 0.162 0.000 1.175 19 Y HN 0.217 nan 8.280 nan 0.000 0.525 20 V N 3.401 123.378 119.914 0.106 0.000 2.769 20 V HA 0.757 4.877 4.120 -0.000 0.000 0.312 20 V C -2.575 173.564 176.094 0.076 0.000 1.058 20 V CA -2.912 59.418 62.300 0.050 0.000 0.952 20 V CB 1.894 33.706 31.823 -0.019 0.000 1.019 20 V HN 0.450 nan 8.190 nan 0.000 0.445 21 P HA 0.267 nan 4.420 nan 0.000 0.278 21 P C -0.045 177.276 177.300 0.034 0.000 1.266 21 P CA -0.167 62.961 63.100 0.047 0.000 0.807 21 P CB 1.260 32.980 31.700 0.034 0.000 1.094 22 S N -0.121 115.598 115.700 0.032 0.000 2.584 22 S HA 0.033 4.503 4.470 -0.000 0.000 0.270 22 S C 1.177 175.786 174.600 0.015 0.000 1.346 22 S CA -0.149 58.065 58.200 0.023 0.000 1.018 22 S CB -0.736 62.478 63.200 0.023 0.000 0.899 22 S HN 0.304 nan 8.310 nan 0.000 0.542 23 N N 1.379 120.086 118.700 0.011 0.000 2.550 23 N HA 0.097 4.837 4.740 -0.000 0.000 0.186 23 N C -0.048 175.467 175.510 0.007 0.000 1.110 23 N CA 0.646 53.700 53.050 0.007 0.000 0.912 23 N CB 0.185 38.674 38.487 0.004 0.000 0.968 23 N HN 0.582 nan 8.380 nan 0.000 0.448 24 E N -1.688 118.518 120.200 0.009 0.000 2.392 24 E HA 0.240 4.590 4.350 -0.000 0.000 0.269 24 E C -0.088 176.517 176.600 0.009 0.000 0.924 24 E CA -0.401 56.004 56.400 0.008 0.000 0.784 24 E CB 1.520 31.224 29.700 0.008 0.000 1.292 24 E HN 0.090 nan 8.360 nan 0.000 0.447 25 S N -0.136 115.569 115.700 0.008 0.000 2.535 25 S HA 0.065 4.535 4.470 -0.000 0.000 0.214 25 S C 0.246 174.850 174.600 0.006 0.000 0.980 25 S CA -0.078 58.126 58.200 0.007 0.000 0.907 25 S CB 0.065 63.269 63.200 0.006 0.000 0.790 25 S HN 0.396 nan 8.310 nan 0.000 0.510 26 D N 2.748 123.151 120.400 0.005 0.000 2.443 26 D HA 0.401 5.041 4.640 -0.000 0.000 0.239 26 D C 0.436 176.738 176.300 0.003 0.000 1.136 26 D CA 0.899 54.900 54.000 0.003 0.000 0.879 26 D CB 1.038 41.839 40.800 0.002 0.000 1.195 26 D HN 0.522 nan 8.370 nan 0.000 0.443 27 T N -0.801 113.752 114.554 -0.002 0.000 2.887 27 T HA 0.722 5.072 4.350 -0.000 0.000 0.292 27 T C -0.316 174.377 174.700 -0.011 0.000 1.087 27 T CA -0.931 61.166 62.100 -0.004 0.000 1.009 27 T CB 0.898 69.762 68.868 -0.006 0.000 1.203 27 T HN 0.227 nan 8.240 nan 0.000 0.518 28 I N 1.407 121.967 120.570 -0.016 0.000 2.465 28 I HA 0.360 4.530 4.170 -0.000 0.000 0.291 28 I C -0.852 175.241 176.117 -0.039 0.000 1.014 28 I CA -1.027 60.258 61.300 -0.025 0.000 1.093 28 I CB 1.938 39.924 38.000 -0.023 0.000 1.267 28 I HN 0.602 nan 8.210 nan 0.000 0.431 29 D N 6.082 126.455 120.400 -0.046 0.000 2.345 29 D HA 0.300 4.940 4.640 -0.000 0.000 0.247 29 D C -0.197 176.054 176.300 -0.082 0.000 1.108 29 D CA 0.078 54.041 54.000 -0.061 0.000 0.894 29 D CB 1.291 42.059 40.800 -0.053 0.000 1.203 29 D HN 0.121 nan 8.370 nan 0.000 0.430 30 I N 2.932 123.434 120.570 -0.114 0.000 2.312 30 I HA 0.196 4.366 4.170 -0.000 0.000 0.290 30 I C -0.212 175.821 176.117 -0.139 0.000 1.008 30 I CA -0.701 60.512 61.300 -0.145 0.000 1.226 30 I CB 0.454 38.323 38.000 -0.219 0.000 1.371 30 I HN 0.059 nan 8.210 nan 0.000 0.468 31 L N 4.477 125.627 121.223 -0.120 0.000 2.334 31 L HA 0.376 4.716 4.340 -0.000 0.000 0.275 31 L C 0.699 177.508 176.870 -0.102 0.000 1.036 31 L CA -0.319 54.462 54.840 -0.099 0.000 0.807 31 L CB 1.493 43.498 42.059 -0.090 0.000 1.231 31 L HN 0.608 nan 8.230 nan 0.000 0.438 32 S N 3.125 118.785 115.700 -0.066 0.000 2.474 32 S HA 0.330 4.800 4.470 -0.000 0.000 0.276 32 S C -1.690 172.860 174.600 -0.083 0.000 1.227 32 S CA -1.038 57.133 58.200 -0.049 0.000 1.050 32 S CB 0.743 63.955 63.200 0.020 0.000 0.939 32 S HN 0.453 nan 8.310 nan 0.000 0.490 33 P HA -0.098 nan 4.420 nan 0.000 0.219 33 P C 1.217 178.330 177.300 -0.311 0.000 1.146 33 P CA 1.078 64.036 63.100 -0.238 0.000 0.808 33 P CB 0.041 31.582 31.700 -0.264 0.000 0.779 34 S N -2.124 113.474 115.700 -0.170 0.000 2.421 34 S HA -0.053 4.417 4.470 -0.000 0.000 0.224 34 S C 1.852 176.650 174.600 0.330 0.000 1.035 34 S CA 1.458 59.620 58.200 -0.063 0.000 0.953 34 S CB -1.446 61.753 63.200 -0.001 0.000 0.810 34 S HN 0.271 nan 8.310 nan 0.000 0.497 35 T N -2.954 111.764 114.554 0.273 0.000 2.969 35 T HA 0.496 4.846 4.350 -0.000 0.000 0.250 35 T C 1.688 176.479 174.700 0.152 0.000 1.021 35 T CA 0.886 63.174 62.100 0.313 0.000 1.003 35 T CB -0.041 68.977 68.868 0.251 0.000 1.040 35 T HN 1.008 nan 8.240 nan 0.000 0.492 36 G N 1.944 110.785 108.800 0.069 0.000 2.184 36 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.264 36 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.264 36 G C 0.051 174.958 174.900 0.012 0.000 0.975 36 G CA 0.527 45.640 45.100 0.022 0.000 0.642 36 G HN 0.716 nan 8.290 nan 0.000 0.536 37 K N 0.003 120.419 120.400 0.027 0.000 2.168 37 K HA 0.528 4.848 4.320 -0.000 0.000 0.258 37 K C 0.587 177.182 176.600 -0.009 0.000 1.010 37 K CA -0.655 55.640 56.287 0.013 0.000 0.929 37 K CB 1.649 34.165 32.500 0.027 0.000 0.998 37 K HN 0.013 nan 8.250 nan 0.000 0.479 38 V N 3.793 123.697 119.914 -0.017 0.000 2.508 38 V HA 0.007 4.127 4.120 -0.000 0.000 0.281 38 V C 1.214 177.287 176.094 -0.035 0.000 1.041 38 V CA 0.244 62.522 62.300 -0.037 0.000 1.016 38 V CB 0.269 32.072 31.823 -0.032 0.000 0.984 38 V HN 0.737 nan 8.190 nan 0.000 0.478 39 I N 1.767 122.287 120.570 -0.083 0.000 4.187 39 I HA 0.720 4.890 4.170 -0.000 0.000 0.326 39 I C 0.765 176.776 176.117 -0.178 0.000 1.302 39 I CA 0.391 61.640 61.300 -0.086 0.000 1.196 39 I CB 0.720 38.659 38.000 -0.103 0.000 1.095 39 I HN 0.655 nan 8.210 nan 0.000 0.411 40 G N 0.804 109.470 108.800 -0.222 0.000 2.441 40 G HA2 0.584 4.544 3.960 -0.000 0.000 0.294 40 G HA3 0.584 4.544 3.960 -0.000 0.000 0.294 40 G C -2.140 172.670 174.900 -0.150 0.000 1.393 40 G CA -0.556 44.420 45.100 -0.207 0.000 0.796 40 G HN 0.171 nan 8.290 nan 0.000 0.494 41 E N -0.998 119.143 120.200 -0.100 0.000 2.331 41 E HA 0.635 4.985 4.350 -0.000 0.000 0.275 41 E C -0.404 176.170 176.600 -0.043 0.000 0.895 41 E CA -0.631 55.730 56.400 -0.064 0.000 0.753 41 E CB 2.602 32.281 29.700 -0.036 0.000 1.216 41 E HN 0.836 nan 8.360 nan 0.000 0.434 42 I N -2.345 118.206 120.570 -0.031 0.000 2.957 42 I HA 0.762 4.932 4.170 -0.000 0.000 0.310 42 I C -2.566 173.554 176.117 0.005 0.000 1.063 42 I CA -3.073 58.224 61.300 -0.005 0.000 1.033 42 I CB 1.929 39.928 38.000 -0.002 0.000 1.230 42 I HN 0.186 nan 8.210 nan 0.000 0.447 43 P HA 0.094 nan 4.420 nan 0.000 0.269 43 P C 0.110 177.419 177.300 0.014 0.000 1.209 43 P CA -0.014 63.097 63.100 0.019 0.000 0.776 43 P CB 0.964 32.682 31.700 0.030 0.000 0.876 44 A N 2.985 125.811 122.820 0.010 0.000 2.016 44 A HA 0.369 4.689 4.320 -0.000 0.000 0.217 44 A C 1.114 178.706 177.584 0.013 0.000 1.162 44 A CA 1.258 53.300 52.037 0.008 0.000 0.662 44 A CB -1.383 17.619 19.000 0.004 0.000 0.812 44 A HN 0.791 nan 8.150 nan 0.000 0.450 45 G N -2.118 106.691 108.800 0.015 0.000 2.814 45 G HA2 0.103 4.063 3.960 -0.000 0.000 0.677 45 G HA3 0.103 4.063 3.960 -0.000 0.000 0.677 45 G C -0.150 174.759 174.900 0.014 0.000 1.429 45 G CA -0.240 44.871 45.100 0.018 0.000 0.868 45 G HN 2.199 nan 8.290 nan 0.000 0.553 46 C N -1.458 117.850 119.300 0.014 0.000 3.320 46 C HA 0.804 5.264 4.460 -0.000 0.000 0.335 46 C C 1.424 176.421 174.990 0.012 0.000 1.430 46 C CA -0.141 58.884 59.018 0.012 0.000 1.271 46 C CB 1.215 28.961 27.740 0.009 0.000 1.609 46 C HN 1.120 nan 8.230 nan 0.000 0.457 47 K N 0.807 121.214 120.400 0.010 0.000 2.044 47 K HA -0.159 4.161 4.320 -0.000 0.000 0.210 47 K C 2.246 178.850 176.600 0.006 0.000 1.049 47 K CA 2.173 58.466 56.287 0.010 0.000 0.927 47 K CB -0.515 31.991 32.500 0.010 0.000 0.713 47 K HN 0.812 nan 8.250 nan 0.000 0.443 48 A N 2.135 124.958 122.820 0.005 0.000 1.940 48 A HA -0.236 4.084 4.320 -0.000 0.000 0.219 48 A C 1.636 179.220 177.584 0.000 0.000 1.176 48 A CA 2.084 54.122 52.037 0.001 0.000 0.631 48 A CB -0.471 18.530 19.000 0.001 0.000 0.814 48 A HN 0.231 nan 8.150 nan 0.000 0.446 49 D N 0.163 120.565 120.400 0.004 0.000 2.097 49 D HA -0.078 4.562 4.640 -0.000 0.000 0.195 49 D C 2.242 178.544 176.300 0.004 0.000 0.989 49 D CA 1.723 55.726 54.000 0.006 0.000 0.827 49 D CB -0.580 40.228 40.800 0.014 0.000 0.966 49 D HN 0.438 nan 8.370 nan 0.000 0.456 50 A N 0.793 123.617 122.820 0.007 0.000 1.930 50 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 50 A C 2.083 179.666 177.584 -0.002 0.000 1.175 50 A CA 1.488 53.529 52.037 0.006 0.000 0.627 50 A CB -0.496 18.510 19.000 0.011 0.000 0.815 50 A HN 0.199 nan 8.150 nan 0.000 0.443 51 E N -0.397 119.800 120.200 -0.004 0.000 2.072 51 E HA -0.161 4.189 4.350 -0.000 0.000 0.191 51 E C 2.048 178.638 176.600 -0.017 0.000 0.985 51 E CA 0.894 57.287 56.400 -0.011 0.000 0.801 51 E CB -0.224 29.470 29.700 -0.009 0.000 0.750 51 E HN 0.723 nan 8.360 nan 0.000 0.452 52 N N 0.622 119.312 118.700 -0.016 0.000 2.069 52 N HA -0.190 4.550 4.740 -0.000 0.000 0.191 52 N C 1.889 177.380 175.510 -0.031 0.000 1.031 52 N CA 1.328 54.363 53.050 -0.024 0.000 0.852 52 N CB -0.003 38.470 38.487 -0.024 0.000 1.018 52 N HN 0.097 nan 8.380 nan 0.000 0.423 53 A N 1.390 124.195 122.820 -0.025 0.000 1.898 53 A HA -0.047 4.273 4.320 -0.000 0.000 0.216 53 A C 2.360 179.927 177.584 -0.029 0.000 1.181 53 A CA 0.776 52.796 52.037 -0.028 0.000 0.620 53 A CB -0.627 18.366 19.000 -0.011 0.000 0.819 53 A HN 0.327 nan 8.150 nan 0.000 0.442 54 L N -0.906 120.304 121.223 -0.022 0.000 2.141 54 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 54 L C 2.551 179.403 176.870 -0.030 0.000 1.094 54 L CA 1.448 56.273 54.840 -0.024 0.000 0.763 54 L CB -0.433 41.612 42.059 -0.024 0.000 0.908 54 L HN 0.462 nan 8.230 nan 0.000 0.437 55 E N -0.600 119.581 120.200 -0.032 0.000 2.072 55 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 55 E C 2.282 178.860 176.600 -0.036 0.000 0.985 55 E CA 1.079 57.459 56.400 -0.033 0.000 0.801 55 E CB 0.012 29.694 29.700 -0.030 0.000 0.750 55 E HN 0.207 nan 8.360 nan 0.000 0.452 56 V N 1.267 121.154 119.914 -0.045 0.000 2.343 56 V HA -0.274 3.846 4.120 -0.000 0.000 0.247 56 V C 2.277 178.337 176.094 -0.058 0.000 1.051 56 V CA 1.860 64.126 62.300 -0.057 0.000 1.036 56 V CB -0.641 31.137 31.823 -0.077 0.000 0.654 56 V HN 0.333 nan 8.190 nan 0.000 0.451 57 A N -1.004 121.783 122.820 -0.055 0.000 1.933 57 A HA -0.300 4.020 4.320 -0.000 0.000 0.218 57 A C 2.244 179.807 177.584 -0.035 0.000 1.175 57 A CA 2.074 54.077 52.037 -0.056 0.000 0.628 57 A CB -0.502 18.471 19.000 -0.045 0.000 0.814 57 A HN 0.600 nan 8.150 nan 0.000 0.444 58 Q N -0.789 118.996 119.800 -0.025 0.000 2.123 58 Q HA -0.048 4.292 4.340 -0.000 0.000 0.199 58 Q C 2.110 178.106 176.000 -0.006 0.000 0.966 58 Q CA 1.203 56.999 55.803 -0.012 0.000 0.845 58 Q CB -0.259 28.467 28.738 -0.019 0.000 0.907 58 Q HN 0.617 nan 8.270 nan 0.000 0.439 59 A N 0.189 123.000 122.820 -0.015 0.000 2.014 59 A HA 0.062 4.382 4.320 -0.000 0.000 0.218 59 A C 2.051 179.634 177.584 -0.001 0.000 1.163 59 A CA 1.195 53.226 52.037 -0.010 0.000 0.652 59 A CB -0.406 18.582 19.000 -0.020 0.000 0.808 59 A HN 0.467 nan 8.150 nan 0.000 0.449 60 A N -1.333 121.481 122.820 -0.009 0.000 2.169 60 A HA -0.013 4.307 4.320 -0.000 0.000 0.212 60 A C 2.028 179.651 177.584 0.064 0.000 1.153 60 A CA 1.099 53.138 52.037 0.004 0.000 0.756 60 A CB -0.288 18.682 19.000 -0.050 0.000 0.813 60 A HN 0.494 nan 8.150 nan 0.000 0.471 61 Q N 0.306 120.145 119.800 0.066 0.000 2.079 61 Q HA -0.175 4.165 4.340 -0.000 0.000 0.200 61 Q C 1.697 177.795 176.000 0.162 0.000 0.974 61 Q CA 1.683 57.563 55.803 0.128 0.000 0.840 61 Q CB -0.092 28.698 28.738 0.087 0.000 0.898 61 Q HN 0.506 nan 8.270 nan 0.000 0.430 62 K N 0.420 120.877 120.400 0.096 0.000 2.026 62 K HA -0.047 4.273 4.320 -0.000 0.000 0.208 62 K C 1.857 178.502 176.600 0.076 0.000 1.048 62 K CA 1.490 57.819 56.287 0.069 0.000 0.929 62 K CB -0.495 32.028 32.500 0.038 0.000 0.713 62 K HN 0.256 nan 8.250 nan 0.000 0.439 63 A N -0.122 122.754 122.820 0.093 0.000 2.119 63 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 63 A C 1.893 179.567 177.584 0.150 0.000 1.153 63 A CA 0.826 52.917 52.037 0.090 0.000 0.692 63 A CB -0.733 18.315 19.000 0.080 0.000 0.799 63 A HN 0.621 nan 8.150 nan 0.000 0.458 64 W N 0.386 121.679 121.300 -0.011 0.000 2.480 64 W HA -0.013 4.648 4.660 0.000 0.000 0.299 64 W C 2.056 178.571 176.519 -0.006 0.000 1.187 64 W CA 1.073 58.412 57.345 -0.010 0.000 1.347 64 W CB -0.134 29.319 29.460 -0.011 0.000 1.121 64 W HN 0.375 nan 8.180 nan 0.000 0.533 65 A N 0.926 123.742 122.820 -0.006 0.000 2.019 65 A HA -0.222 4.098 4.320 -0.000 0.000 0.219 65 A C 1.972 179.477 177.584 -0.132 0.000 1.164 65 A CA 1.795 53.765 52.037 -0.110 0.000 0.644 65 A CB -0.766 18.241 19.000 0.011 0.000 0.805 65 A HN 0.354 nan 8.150 nan 0.000 0.449 66 K N -0.628 119.724 120.400 -0.080 0.000 2.228 66 K HA 0.126 4.446 4.320 -0.000 0.000 0.202 66 K C 0.179 176.715 176.600 -0.106 0.000 1.051 66 K CA -0.134 56.111 56.287 -0.070 0.000 0.960 66 K CB -0.264 32.219 32.500 -0.029 0.000 0.743 66 K HN 0.499 nan 8.250 nan 0.000 0.458 67 L N 2.046 123.173 121.223 -0.160 0.000 2.499 67 L HA -0.037 4.303 4.340 -0.000 0.000 0.281 67 L C 0.860 177.606 176.870 -0.206 0.000 1.234 67 L CA -0.059 54.666 54.840 -0.192 0.000 0.839 67 L CB 0.053 41.939 42.059 -0.288 0.000 1.104 67 L HN 0.258 nan 8.230 nan 0.000 0.500 68 T N -1.124 113.335 114.554 -0.157 0.000 2.868 68 T HA 0.310 4.660 4.350 -0.000 0.000 0.292 68 T C 1.167 175.765 174.700 -0.170 0.000 1.028 68 T CA -0.272 61.747 62.100 -0.134 0.000 1.059 68 T CB 1.491 70.306 68.868 -0.089 0.000 0.991 68 T HN 0.663 nan 8.240 nan 0.000 0.531 69 A N 1.648 124.384 122.820 -0.139 0.000 1.917 69 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 69 A C 2.489 180.006 177.584 -0.113 0.000 1.182 69 A CA 2.042 53.998 52.037 -0.134 0.000 0.633 69 A CB -0.943 18.001 19.000 -0.093 0.000 0.819 69 A HN 0.977 nan 8.150 nan 0.000 0.448 70 R N -1.030 119.419 120.500 -0.085 0.000 2.091 70 R HA -0.127 4.213 4.340 -0.000 0.000 0.238 70 R C 2.215 178.478 176.300 -0.061 0.000 1.136 70 R CA 2.051 58.115 56.100 -0.061 0.000 0.959 70 R CB -0.596 29.677 30.300 -0.045 0.000 0.856 70 R HN 0.531 nan 8.270 nan 0.000 0.437 71 T N 0.540 115.043 114.554 -0.085 0.000 2.684 71 T HA -0.134 4.215 4.350 -0.000 0.000 0.267 71 T C 1.779 176.422 174.700 -0.094 0.000 1.036 71 T CA 1.574 63.626 62.100 -0.080 0.000 1.148 71 T CB -0.172 68.636 68.868 -0.099 0.000 0.863 71 T HN 0.376 nan 8.240 nan 0.000 0.436 72 R N 0.760 121.136 120.500 -0.207 0.000 2.096 72 R HA -0.071 4.269 4.340 -0.000 0.000 0.235 72 R C 2.700 178.995 176.300 -0.009 0.000 1.127 72 R CA 1.180 57.154 56.100 -0.210 0.000 0.968 72 R CB -0.312 29.706 30.300 -0.471 0.000 0.861 72 R HN 0.491 nan 8.270 nan 0.000 0.440 73 Q N 0.801 120.582 119.800 -0.033 0.000 2.045 73 Q HA -0.193 4.147 4.340 -0.000 0.000 0.206 73 Q C 1.647 177.670 176.000 0.039 0.000 0.991 73 Q CA 1.694 57.500 55.803 0.006 0.000 0.851 73 Q CB 0.031 28.757 28.738 -0.020 0.000 0.911 73 Q HN 0.349 nan 8.270 nan 0.000 0.418 74 N N -0.114 118.603 118.700 0.029 0.000 2.106 74 N HA -0.139 4.601 4.740 -0.000 0.000 0.188 74 N C 1.849 177.409 175.510 0.084 0.000 1.029 74 N CA 1.415 54.493 53.050 0.046 0.000 0.848 74 N CB -0.297 38.207 38.487 0.029 0.000 1.007 74 N HN 0.326 nan 8.380 nan 0.000 0.423 75 M N 0.616 120.280 119.600 0.106 0.000 2.065 75 M HA -0.115 4.365 4.480 -0.000 0.000 0.259 75 M C 2.087 178.512 176.300 0.208 0.000 1.069 75 M CA 1.455 56.850 55.300 0.160 0.000 1.110 75 M CB -0.310 32.425 32.600 0.226 0.000 1.328 75 M HN 0.052 nan 8.290 nan 0.000 0.405 76 L N -1.030 120.332 121.223 0.231 0.000 2.156 76 L HA -0.145 4.195 4.340 -0.000 0.000 0.208 76 L C 2.601 179.601 176.870 0.216 0.000 1.095 76 L CA 0.898 55.905 54.840 0.279 0.000 0.770 76 L CB -0.510 41.709 42.059 0.267 0.000 0.914 76 L HN 0.254 nan 8.230 nan 0.000 0.439 77 R N -0.621 119.963 120.500 0.141 0.000 2.092 77 R HA -0.114 4.226 4.340 -0.000 0.000 0.231 77 R C 2.253 178.615 176.300 0.104 0.000 1.119 77 R CA 1.766 57.925 56.100 0.098 0.000 0.970 77 R CB -0.529 29.810 30.300 0.065 0.000 0.864 77 R HN 0.329 nan 8.270 nan 0.000 0.440 78 T N 1.253 115.884 114.554 0.128 0.000 2.708 78 T HA -0.177 4.173 4.350 -0.000 0.000 0.266 78 T C 1.391 176.203 174.700 0.187 0.000 1.037 78 T CA 1.359 63.538 62.100 0.131 0.000 1.146 78 T CB -0.384 68.557 68.868 0.122 0.000 0.865 78 T HN 0.140 nan 8.240 nan 0.000 0.435 79 F N 2.586 122.564 119.950 0.046 0.000 2.065 79 F HA -0.120 4.407 4.527 0.000 0.000 0.298 79 F C 2.503 178.326 175.800 0.039 0.000 1.112 79 F CA 0.937 58.959 58.000 0.037 0.000 1.212 79 F CB -1.162 37.859 39.000 0.035 0.000 0.975 79 F HN 0.164 nan 8.300 nan 0.000 0.476 80 A N 0.397 123.177 122.820 -0.067 0.000 1.940 80 A HA -0.245 4.075 4.320 -0.000 0.000 0.219 80 A C 2.135 179.676 177.584 -0.072 0.000 1.176 80 A CA 2.001 53.951 52.037 -0.146 0.000 0.631 80 A CB -0.898 18.076 19.000 -0.044 0.000 0.814 80 A HN 0.556 nan 8.150 nan 0.000 0.446 81 N N -0.241 118.460 118.700 0.001 0.000 2.300 81 N HA -0.068 4.672 4.740 -0.000 0.000 0.179 81 N C 1.550 177.075 175.510 0.025 0.000 1.016 81 N CA 1.072 54.132 53.050 0.016 0.000 0.876 81 N CB -0.239 38.268 38.487 0.034 0.000 0.979 81 N HN 0.521 nan 8.380 nan 0.000 0.432 82 K N 0.971 121.401 120.400 0.050 0.000 2.097 82 K HA 0.015 4.335 4.320 -0.000 0.000 0.205 82 K C 2.086 178.711 176.600 0.042 0.000 1.050 82 K CA 0.541 56.873 56.287 0.073 0.000 0.938 82 K CB -0.112 32.471 32.500 0.137 0.000 0.718 82 K HN 0.173 nan 8.250 nan 0.000 0.442 83 I N 0.968 121.513 120.570 -0.042 0.000 2.163 83 I HA -0.309 3.861 4.170 -0.000 0.000 0.243 83 I C 2.540 178.645 176.117 -0.019 0.000 1.085 83 I CA 1.379 62.627 61.300 -0.085 0.000 1.347 83 I CB -0.201 37.647 38.000 -0.253 0.000 1.044 83 I HN 0.131 nan 8.210 nan 0.000 0.408 84 R N 0.484 120.976 120.500 -0.013 0.000 2.081 84 R HA -0.189 4.151 4.340 -0.000 0.000 0.235 84 R C 2.105 178.433 176.300 0.046 0.000 1.131 84 R CA 1.551 57.660 56.100 0.014 0.000 0.960 84 R CB -0.222 30.083 30.300 0.008 0.000 0.856 84 R HN 0.424 nan 8.270 nan 0.000 0.436 85 E N -0.134 120.099 120.200 0.055 0.000 2.274 85 E HA -0.046 4.304 4.350 -0.000 0.000 0.194 85 E C 0.949 177.658 176.600 0.181 0.000 0.996 85 E CA 0.439 56.884 56.400 0.075 0.000 0.840 85 E CB 0.133 29.866 29.700 0.055 0.000 0.772 85 E HN 0.250 nan 8.360 nan 0.000 0.491 86 N N 1.033 119.834 118.700 0.167 0.000 2.314 86 N HA -0.039 4.701 4.740 -0.000 0.000 0.200 86 N C 1.248 176.819 175.510 0.101 0.000 1.135 86 N CA 0.161 53.310 53.050 0.166 0.000 0.835 86 N CB 0.362 38.888 38.487 0.065 0.000 0.989 86 N HN 0.161 nan 8.380 nan 0.000 0.478 87 K N 1.421 121.919 120.400 0.164 0.000 2.152 87 K HA -0.180 4.140 4.320 -0.000 0.000 0.206 87 K C 1.939 178.598 176.600 0.099 0.000 1.048 87 K CA 1.376 57.725 56.287 0.103 0.000 0.933 87 K CB -0.188 32.365 32.500 0.089 0.000 0.721 87 K HN 0.272 nan 8.250 nan 0.000 0.447 88 H N -0.080 118.996 119.070 0.009 0.000 2.491 88 H HA -0.041 4.515 4.556 -0.000 0.000 0.290 88 H C 1.752 177.081 175.328 0.002 0.000 1.050 88 H CA 1.434 57.486 56.048 0.007 0.000 1.309 88 H CB -0.248 29.517 29.762 0.005 0.000 1.392 88 H HN 0.351 nan 8.280 nan 0.000 0.554 89 I N 0.193 120.442 120.570 -0.536 0.000 2.685 89 I HA -0.082 4.088 4.170 -0.000 0.000 0.251 89 I C 2.571 178.589 176.117 -0.166 0.000 1.102 89 I CA 0.160 61.230 61.300 -0.382 0.000 1.442 89 I CB 0.056 37.789 38.000 -0.445 0.000 1.194 89 I HN 0.044 nan 8.210 nan 0.000 0.448 90 L N 0.784 121.946 121.223 -0.102 0.000 2.046 90 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 90 L C 2.834 179.715 176.870 0.019 0.000 1.077 90 L CA 1.441 56.272 54.840 -0.015 0.000 0.747 90 L CB -0.779 41.285 42.059 0.009 0.000 0.896 90 L HN 0.252 nan 8.230 nan 0.000 0.432 91 A N 0.535 123.366 122.820 0.018 0.000 1.858 91 A HA -0.113 4.207 4.320 -0.000 0.000 0.216 91 A C 0.008 177.616 177.584 0.040 0.000 1.190 91 A CA 1.663 53.724 52.037 0.040 0.000 0.617 91 A CB -1.831 17.196 19.000 0.045 0.000 0.827 91 A HN 0.272 nan 8.150 nan 0.000 0.443 92 P HA -0.155 nan 4.420 nan 0.000 0.216 92 P C 1.683 179.016 177.300 0.056 0.000 1.150 92 P CA 1.277 64.392 63.100 0.025 0.000 0.837 92 P CB -0.232 31.463 31.700 -0.008 0.000 0.786 93 M N -1.418 118.210 119.600 0.046 0.000 2.082 93 M HA -0.197 4.283 4.480 -0.000 0.000 0.258 93 M C 2.057 178.478 176.300 0.202 0.000 1.069 93 M CA 1.964 57.375 55.300 0.185 0.000 1.102 93 M CB -1.076 31.624 32.600 0.168 0.000 1.336 93 M HN -0.045 nan 8.290 nan 0.000 0.404 94 L N -0.854 120.442 121.223 0.122 0.000 2.093 94 L HA -0.159 4.181 4.340 -0.000 0.000 0.208 94 L C 2.358 179.271 176.870 0.071 0.000 1.085 94 L CA 0.644 55.542 54.840 0.096 0.000 0.755 94 L CB -0.543 41.568 42.059 0.086 0.000 0.904 94 L HN 0.131 nan 8.230 nan 0.000 0.435 95 V N -0.046 119.909 119.914 0.069 0.000 2.358 95 V HA -0.267 3.853 4.120 -0.000 0.000 0.246 95 V C 2.739 178.866 176.094 0.055 0.000 1.047 95 V CA 1.745 64.075 62.300 0.049 0.000 1.035 95 V CB -0.929 30.923 31.823 0.049 0.000 0.658 95 V HN 0.464 nan 8.190 nan 0.000 0.452 96 A N 1.158 124.041 122.820 0.106 0.000 1.845 96 A HA -0.270 4.050 4.320 -0.000 0.000 0.215 96 A C 2.227 179.845 177.584 0.057 0.000 1.195 96 A CA 2.016 54.131 52.037 0.129 0.000 0.616 96 A CB -0.597 18.571 19.000 0.280 0.000 0.832 96 A HN 0.771 nan 8.150 nan 0.000 0.443 97 E N -1.368 118.862 120.200 0.049 0.000 2.427 97 E HA -0.116 4.234 4.350 -0.000 0.000 0.196 97 E C 1.553 178.123 176.600 -0.049 0.000 1.028 97 E CA 1.356 57.731 56.400 -0.041 0.000 0.864 97 E CB 0.018 29.687 29.700 -0.052 0.000 0.813 97 E HN 0.650 nan 8.360 nan 0.000 0.514 98 Q N -0.462 119.321 119.800 -0.028 0.000 2.142 98 Q HA 0.136 4.476 4.340 -0.000 0.000 0.216 98 Q C 1.238 177.206 176.000 -0.052 0.000 0.708 98 Q CA 1.239 57.023 55.803 -0.032 0.000 0.879 98 Q CB 0.068 28.822 28.738 0.025 0.000 1.261 98 Q HN 0.296 nan 8.270 nan 0.000 0.452 99 G N 2.211 110.990 108.800 -0.036 0.000 2.143 99 G HA2 -0.374 3.586 3.960 -0.000 0.000 0.248 99 G HA3 -0.374 3.586 3.960 -0.000 0.000 0.248 99 G C -0.200 174.667 174.900 -0.056 0.000 0.991 99 G CA 0.427 45.492 45.100 -0.058 0.000 0.689 99 G HN 0.722 nan 8.290 nan 0.000 0.522 100 K N 0.235 120.611 120.400 -0.039 0.000 2.542 100 K HA 0.361 4.681 4.320 -0.000 0.000 0.276 100 K C 0.972 177.577 176.600 0.009 0.000 0.963 100 K CA -0.432 55.841 56.287 -0.022 0.000 0.975 100 K CB 0.700 33.178 32.500 -0.036 0.000 0.901 100 K HN 0.276 nan 8.250 nan 0.000 0.506 101 L N 2.546 123.784 121.223 0.026 0.000 2.529 101 L HA -0.138 4.202 4.340 -0.000 0.000 0.287 101 L C 1.733 178.621 176.870 0.031 0.000 1.241 101 L CA -0.413 54.445 54.840 0.030 0.000 0.857 101 L CB -0.204 41.874 42.059 0.032 0.000 1.113 101 L HN 0.713 nan 8.230 nan 0.000 0.504 102 L N 2.923 124.163 121.223 0.028 0.000 2.043 102 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 102 L C 2.690 179.578 176.870 0.029 0.000 1.075 102 L CA 2.338 57.197 54.840 0.032 0.000 0.752 102 L CB -0.569 41.508 42.059 0.030 0.000 0.891 102 L HN 0.943 nan 8.230 nan 0.000 0.432 103 S N -1.789 113.922 115.700 0.017 0.000 2.368 103 S HA -0.172 4.298 4.470 -0.000 0.000 0.225 103 S C 1.921 176.530 174.600 0.015 0.000 1.030 103 S CA 1.482 59.686 58.200 0.006 0.000 0.999 103 S CB -1.271 61.919 63.200 -0.017 0.000 0.844 103 S HN 0.266 nan 8.310 nan 0.000 0.459 104 V N 2.505 122.436 119.914 0.028 0.000 2.427 104 V HA -0.051 4.069 4.120 -0.000 0.000 0.248 104 V C 3.127 179.281 176.094 0.100 0.000 1.051 104 V CA 1.516 63.857 62.300 0.067 0.000 1.048 104 V CB -1.540 30.337 31.823 0.090 0.000 0.666 104 V HN 0.684 nan 8.190 nan 0.000 0.456 105 A N -0.264 122.603 122.820 0.079 0.000 1.930 105 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 105 A C 2.178 179.808 177.584 0.076 0.000 1.175 105 A CA 1.634 53.722 52.037 0.086 0.000 0.627 105 A CB -0.378 18.662 19.000 0.066 0.000 0.815 105 A HN 0.598 nan 8.150 nan 0.000 0.443 106 E N -0.709 119.524 120.200 0.055 0.000 2.051 106 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 106 E C 2.044 178.668 176.600 0.041 0.000 0.991 106 E CA 1.489 57.916 56.400 0.044 0.000 0.799 106 E CB -0.268 29.451 29.700 0.032 0.000 0.748 106 E HN 0.624 nan 8.360 nan 0.000 0.449 107 M N 0.540 120.162 119.600 0.037 0.000 2.106 107 M HA -0.258 4.222 4.480 -0.000 0.000 0.259 107 M C 2.378 178.708 176.300 0.049 0.000 1.068 107 M CA 1.586 56.902 55.300 0.027 0.000 1.100 107 M CB -0.128 32.481 32.600 0.015 0.000 1.351 107 M HN 0.090 nan 8.290 nan 0.000 0.404 108 E N -0.247 120.014 120.200 0.102 0.000 2.110 108 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 108 E C 1.711 178.376 176.600 0.108 0.000 0.988 108 E CA 1.450 57.938 56.400 0.146 0.000 0.804 108 E CB 0.117 29.969 29.700 0.254 0.000 0.745 108 E HN 0.330 nan 8.360 nan 0.000 0.458 109 V N 1.746 121.707 119.914 0.078 0.000 2.358 109 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 109 V C 1.871 177.985 176.094 0.034 0.000 1.047 109 V CA 1.968 64.299 62.300 0.052 0.000 1.035 109 V CB -0.562 31.286 31.823 0.043 0.000 0.658 109 V HN 0.296 nan 8.190 nan 0.000 0.452 110 D N 0.411 120.828 120.400 0.028 0.000 2.106 110 D HA -0.164 4.476 4.640 -0.000 0.000 0.191 110 D C 2.166 178.476 176.300 0.016 0.000 0.997 110 D CA 1.634 55.642 54.000 0.012 0.000 0.834 110 D CB -0.394 40.405 40.800 -0.001 0.000 0.956 110 D HN 0.337 nan 8.370 nan 0.000 0.448 111 V N 1.098 121.026 119.914 0.023 0.000 2.427 111 V HA -0.201 3.919 4.120 -0.000 0.000 0.248 111 V C 2.485 178.643 176.094 0.108 0.000 1.051 111 V CA 1.773 64.085 62.300 0.020 0.000 1.048 111 V CB -0.798 31.015 31.823 -0.016 0.000 0.666 111 V HN 0.221 nan 8.190 nan 0.000 0.456 112 T N 0.787 115.424 114.554 0.137 0.000 2.665 112 T HA -0.246 4.104 4.350 -0.000 0.000 0.268 112 T C 2.080 176.822 174.700 0.069 0.000 1.035 112 T CA 1.875 64.059 62.100 0.140 0.000 1.151 112 T CB -0.459 68.441 68.868 0.054 0.000 0.862 112 T HN 0.592 nan 8.240 nan 0.000 0.438 113 A N 1.778 124.605 122.820 0.013 0.000 1.898 113 A HA -0.112 4.208 4.320 -0.000 0.000 0.216 113 A C 2.664 180.269 177.584 0.034 0.000 1.181 113 A CA 2.238 54.265 52.037 -0.017 0.000 0.620 113 A CB -1.288 17.697 19.000 -0.025 0.000 0.819 113 A HN 0.644 nan 8.150 nan 0.000 0.442 114 T N -3.373 111.216 114.554 0.059 0.000 2.867 114 T HA -0.087 4.263 4.350 -0.000 0.000 0.268 114 T C 1.707 176.448 174.700 0.068 0.000 1.057 114 T CA 1.313 63.482 62.100 0.115 0.000 1.136 114 T CB -0.619 68.335 68.868 0.144 0.000 0.874 114 T HN 0.323 nan 8.240 nan 0.000 0.466 115 F N 1.134 120.991 119.950 -0.156 0.000 2.134 115 F HA 0.128 4.655 4.527 -0.000 0.000 0.299 115 F C 2.298 178.030 175.800 -0.114 0.000 1.097 115 F CA 0.845 58.597 58.000 -0.415 0.000 1.264 115 F CB -0.242 38.556 39.000 -0.338 0.000 1.001 115 F HN 0.099 nan 8.300 nan 0.000 0.479 116 I N -0.273 120.382 120.570 0.141 0.000 2.226 116 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 116 I C 1.887 178.062 176.117 0.097 0.000 1.100 116 I CA 1.221 62.577 61.300 0.094 0.000 1.374 116 I CB -0.461 37.559 38.000 0.033 0.000 1.057 116 I HN 0.052 nan 8.210 nan 0.000 0.413 117 D N -0.000 120.458 120.400 0.097 0.000 2.144 117 D HA -0.233 4.407 4.640 -0.000 0.000 0.199 117 D C 1.926 178.296 176.300 0.116 0.000 0.984 117 D CA 1.295 55.352 54.000 0.094 0.000 0.834 117 D CB -0.272 40.582 40.800 0.089 0.000 0.955 117 D HN 0.376 nan 8.370 nan 0.000 0.465 118 Y N 1.272 121.613 120.300 0.069 0.000 2.181 118 Y HA -0.104 4.446 4.550 0.000 0.000 0.288 118 Y C 2.287 178.223 175.900 0.060 0.000 1.146 118 Y CA 2.017 60.166 58.100 0.081 0.000 1.164 118 Y CB -0.508 38.030 38.460 0.130 0.000 0.982 118 Y HN -0.052 nan 8.280 nan 0.000 0.515 119 G N -0.462 108.362 108.800 0.039 0.000 2.459 119 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.217 119 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.217 119 G C 1.759 176.599 174.900 -0.100 0.000 1.183 119 G CA 1.300 46.367 45.100 -0.054 0.000 0.776 119 G HN 0.544 nan 8.290 nan 0.000 0.552 120 C N 0.810 120.090 119.300 -0.032 0.000 2.401 120 C HA -0.063 4.397 4.460 -0.000 0.000 0.276 120 C C 2.542 177.486 174.990 -0.077 0.000 1.233 120 C CA 0.895 59.897 59.018 -0.027 0.000 1.753 120 C CB -0.769 26.982 27.740 0.019 0.000 2.029 120 C HN 0.471 nan 8.230 nan 0.000 0.478 121 D N 0.680 121.010 120.400 -0.117 0.000 2.271 121 D HA -0.102 4.538 4.640 -0.000 0.000 0.207 121 D C 1.618 177.809 176.300 -0.180 0.000 0.983 121 D CA 1.046 54.961 54.000 -0.141 0.000 0.878 121 D CB -0.617 40.084 40.800 -0.164 0.000 0.920 121 D HN 0.616 nan 8.370 nan 0.000 0.479 122 N N -0.084 118.476 118.700 -0.234 0.000 2.336 122 N HA 0.098 4.838 4.740 -0.000 0.000 0.189 122 N C 1.511 176.952 175.510 -0.115 0.000 1.113 122 N CA 0.220 53.154 53.050 -0.194 0.000 0.858 122 N CB 0.571 38.916 38.487 -0.236 0.000 0.970 122 N HN 0.071 nan 8.380 nan 0.000 0.471 123 A N 1.182 123.945 122.820 -0.095 0.000 1.908 123 A HA -0.066 4.254 4.320 -0.000 0.000 0.218 123 A C 1.931 179.476 177.584 -0.066 0.000 1.181 123 A CA 1.053 53.046 52.037 -0.073 0.000 0.627 123 A CB -0.362 18.600 19.000 -0.064 0.000 0.818 123 A HN 0.225 nan 8.150 nan 0.000 0.445 124 L N -0.443 120.744 121.223 -0.061 0.000 2.640 124 L HA 0.085 4.425 4.340 -0.000 0.000 0.230 124 L C 1.820 178.661 176.870 -0.048 0.000 1.123 124 L CA 0.917 55.727 54.840 -0.050 0.000 0.900 124 L CB -0.024 42.009 42.059 -0.043 0.000 1.146 124 L HN 0.567 nan 8.230 nan 0.000 0.484 125 T N -4.016 110.503 114.554 -0.058 0.000 2.985 125 T HA 0.302 4.652 4.350 -0.000 0.000 0.254 125 T C 0.745 175.412 174.700 -0.054 0.000 1.021 125 T CA -0.219 61.848 62.100 -0.055 0.000 0.957 125 T CB 0.089 68.919 68.868 -0.064 0.000 1.047 125 T HN -0.016 nan 8.240 nan 0.000 0.511 126 I N 2.318 122.856 120.570 -0.054 0.000 2.710 126 I HA 0.226 4.396 4.170 -0.000 0.000 0.286 126 I C 0.119 176.217 176.117 -0.031 0.000 1.181 126 I CA 0.383 61.658 61.300 -0.041 0.000 1.430 126 I CB 0.407 38.389 38.000 -0.030 0.000 1.367 126 I HN 0.277 nan 8.210 nan 0.000 0.577 127 E N 3.414 123.596 120.200 -0.029 0.000 2.314 127 E HA 0.496 4.846 4.350 -0.000 0.000 0.272 127 E C -0.142 176.441 176.600 -0.028 0.000 0.884 127 E CA -0.666 55.717 56.400 -0.029 0.000 0.753 127 E CB 2.051 31.730 29.700 -0.035 0.000 1.213 127 E HN 0.697 nan 8.360 nan 0.000 0.432 128 G N 1.347 110.125 108.800 -0.036 0.000 2.525 128 G HA2 0.354 4.314 3.960 -0.000 0.000 0.287 128 G HA3 0.354 4.314 3.960 -0.000 0.000 0.287 128 G C -0.726 174.131 174.900 -0.072 0.000 1.350 128 G CA -0.304 44.760 45.100 -0.059 0.000 1.039 128 G HN 0.446 nan 8.290 nan 0.000 0.513 129 D N -0.672 119.672 120.400 -0.093 0.000 2.619 129 D HA 0.441 5.081 4.640 -0.000 0.000 0.241 129 D C -0.636 175.583 176.300 -0.136 0.000 1.087 129 D CA -0.087 53.857 54.000 -0.094 0.000 0.851 129 D CB 2.477 43.229 40.800 -0.081 0.000 1.474 129 D HN 0.176 nan 8.370 nan 0.000 0.478 130 I N 1.896 122.372 120.570 -0.156 0.000 2.362 130 I HA 0.355 4.525 4.170 -0.000 0.000 0.289 130 I C -0.407 175.561 176.117 -0.249 0.000 0.994 130 I CA -0.533 60.602 61.300 -0.275 0.000 1.158 130 I CB 1.263 39.118 38.000 -0.241 0.000 1.315 130 I HN 0.054 nan 8.210 nan 0.000 0.451 131 L N 7.570 128.608 121.223 -0.307 0.000 2.323 131 L HA 0.652 4.992 4.340 -0.000 0.000 0.265 131 L C -2.250 174.493 176.870 -0.211 0.000 1.012 131 L CA -1.738 52.973 54.840 -0.216 0.000 0.820 131 L CB 2.128 44.071 42.059 -0.193 0.000 1.334 131 L HN 0.357 nan 8.230 nan 0.000 0.427 132 P HA 0.141 nan 4.420 nan 0.000 0.274 132 P C -1.116 176.131 177.300 -0.089 0.000 1.246 132 P CA -0.357 62.681 63.100 -0.104 0.000 0.795 132 P CB 1.628 33.288 31.700 -0.066 0.000 1.006 133 S N -0.333 115.334 115.700 -0.054 0.000 2.542 133 S HA 0.303 4.773 4.470 -0.000 0.000 0.293 133 S C 0.348 174.955 174.600 0.012 0.000 1.089 133 S CA -0.610 57.585 58.200 -0.008 0.000 0.961 133 S CB 0.803 64.010 63.200 0.012 0.000 1.062 133 S HN 0.206 nan 8.310 nan 0.000 0.483 134 D N 1.806 122.227 120.400 0.036 0.000 2.363 134 D HA 0.124 4.764 4.640 -0.000 0.000 0.220 134 D C -0.203 176.115 176.300 0.030 0.000 0.994 134 D CA 0.695 54.712 54.000 0.029 0.000 0.890 134 D CB -0.090 40.731 40.800 0.035 0.000 0.906 134 D HN 0.413 nan 8.370 nan 0.000 0.530 135 N N 1.135 119.859 118.700 0.040 0.000 2.430 135 N HA 0.174 4.914 4.740 -0.000 0.000 0.292 135 N C 0.154 175.680 175.510 0.026 0.000 1.051 135 N CA -0.327 52.744 53.050 0.035 0.000 0.917 135 N CB 1.385 39.901 38.487 0.049 0.000 1.164 135 N HN 0.045 nan 8.380 nan 0.000 0.484 136 Q N 0.243 120.055 119.800 0.020 0.000 2.454 136 Q HA 0.066 4.406 4.340 -0.000 0.000 0.247 136 Q C -0.354 175.659 176.000 0.022 0.000 1.028 136 Q CA 0.213 56.025 55.803 0.015 0.000 0.910 136 Q CB 0.552 29.297 28.738 0.012 0.000 1.276 136 Q HN 0.498 nan 8.270 nan 0.000 0.489 137 D N 0.805 121.216 120.400 0.019 0.000 2.800 137 D HA -0.184 4.456 4.640 -0.000 0.000 0.232 137 D C -0.616 175.707 176.300 0.039 0.000 1.137 137 D CA 1.212 55.227 54.000 0.026 0.000 0.718 137 D CB -0.625 40.191 40.800 0.026 0.000 1.084 137 D HN 0.591 nan 8.370 nan 0.000 0.432 138 E N 0.029 120.249 120.200 0.033 0.000 2.335 138 E HA 0.412 4.762 4.350 -0.000 0.000 0.280 138 E C -1.257 175.345 176.600 0.004 0.000 0.918 138 E CA -0.674 55.755 56.400 0.048 0.000 0.765 138 E CB 1.676 31.418 29.700 0.070 0.000 1.218 138 E HN -0.073 nan 8.360 nan 0.000 0.425 139 K N 3.400 123.798 120.400 -0.004 0.000 2.371 139 K HA 0.545 4.865 4.320 -0.000 0.000 0.251 139 K C -0.768 175.685 176.600 -0.244 0.000 0.934 139 K CA -0.697 55.486 56.287 -0.173 0.000 0.798 139 K CB 1.933 34.260 32.500 -0.287 0.000 1.204 139 K HN 0.385 nan 8.250 nan 0.000 0.427 140 I N 2.905 123.227 120.570 -0.413 0.000 2.354 140 I HA 0.310 4.480 4.170 -0.000 0.000 0.292 140 I C -0.969 174.844 176.117 -0.506 0.000 0.989 140 I CA -0.794 60.235 61.300 -0.453 0.000 1.188 140 I CB 0.626 38.302 38.000 -0.540 0.000 1.342 140 I HN 0.430 nan 8.210 nan 0.000 0.457 141 Y N 5.985 126.174 120.300 -0.185 0.000 2.468 141 Y HA 0.627 5.177 4.550 -0.000 0.000 0.342 141 Y C -0.070 175.738 175.900 -0.154 0.000 1.021 141 Y CA -0.833 57.160 58.100 -0.178 0.000 1.079 141 Y CB 1.751 40.127 38.460 -0.140 0.000 1.226 141 Y HN 0.314 nan 8.280 nan 0.000 0.460 142 I N 3.934 124.468 120.570 -0.060 0.000 2.466 142 I HA 0.228 4.398 4.170 -0.000 0.000 0.279 142 I C -0.596 175.477 176.117 -0.073 0.000 1.033 142 I CA -0.512 60.777 61.300 -0.017 0.000 1.123 142 I CB 0.542 38.530 38.000 -0.021 0.000 1.237 142 I HN 0.610 nan 8.210 nan 0.000 0.460 143 H N 5.683 124.785 119.070 0.052 0.000 2.505 143 H HA 0.409 4.965 4.556 -0.000 0.000 0.351 143 H C -0.431 174.914 175.328 0.029 0.000 1.151 143 H CA -0.467 55.602 56.048 0.035 0.000 1.339 143 H CB 1.640 31.414 29.762 0.019 0.000 1.483 143 H HN 0.336 nan 8.280 nan 0.000 0.558 144 K N 2.409 122.887 120.400 0.131 0.000 2.235 144 K HA 0.389 4.709 4.320 -0.000 0.000 0.266 144 K C -0.369 176.283 176.600 0.088 0.000 0.980 144 K CA -0.608 55.733 56.287 0.091 0.000 0.849 144 K CB 2.082 34.616 32.500 0.057 0.000 1.098 144 K HN 0.387 nan 8.250 nan 0.000 0.445 145 V N -0.033 119.928 119.914 0.079 0.000 3.102 145 V HA 0.599 4.719 4.120 -0.000 0.000 0.312 145 V C -2.838 173.298 176.094 0.069 0.000 1.135 145 V CA -2.949 59.387 62.300 0.061 0.000 1.022 145 V CB 1.691 33.542 31.823 0.046 0.000 1.056 145 V HN 0.480 nan 8.190 nan 0.000 0.436 146 P HA 0.397 nan 4.420 nan 0.000 0.272 146 P C 0.218 177.572 177.300 0.090 0.000 1.230 146 P CA -0.230 62.927 63.100 0.095 0.000 0.788 146 P CB 0.621 32.381 31.700 0.100 0.000 0.949 147 R N 0.886 121.450 120.500 0.107 0.000 2.080 147 R HA 0.220 4.560 4.340 -0.000 0.000 0.222 147 R C 1.283 177.626 176.300 0.072 0.000 1.107 147 R CA 1.221 57.372 56.100 0.085 0.000 0.980 147 R CB -0.470 29.884 30.300 0.090 0.000 0.879 147 R HN 0.780 nan 8.270 nan 0.000 0.439 148 G N 0.194 109.047 108.800 0.087 0.000 2.113 148 G HA2 -0.160 3.799 3.960 -0.000 0.000 0.082 148 G HA3 -0.160 3.799 3.960 -0.000 0.000 0.082 148 G C -0.885 174.059 174.900 0.073 0.000 1.155 148 G CA -0.267 44.875 45.100 0.069 0.000 1.241 148 G HN 0.220 nan 8.290 nan 0.000 0.453 149 V N 0.054 119.995 119.914 0.045 0.000 2.465 149 V HA 0.814 4.934 4.120 -0.000 0.000 0.279 149 V C 0.082 176.207 176.094 0.052 0.000 1.045 149 V CA -0.741 61.581 62.300 0.038 0.000 0.938 149 V CB 1.179 33.008 31.823 0.009 0.000 0.986 149 V HN 1.029 nan 8.190 nan 0.000 0.467 150 V N 5.482 125.438 119.914 0.071 0.000 2.513 150 V HA 0.463 4.583 4.120 -0.000 0.000 0.299 150 V C 0.070 176.210 176.094 0.076 0.000 1.035 150 V CA -0.576 61.784 62.300 0.100 0.000 0.889 150 V CB 1.827 33.762 31.823 0.187 0.000 0.988 150 V HN 0.827 nan 8.190 nan 0.000 0.440 151 V N 3.698 123.653 119.914 0.068 0.000 2.407 151 V HA 0.683 4.803 4.120 -0.000 0.000 0.278 151 V C 0.707 176.847 176.094 0.076 0.000 1.037 151 V CA -0.104 62.231 62.300 0.058 0.000 0.900 151 V CB 1.575 33.422 31.823 0.040 0.000 0.983 151 V HN 0.992 nan 8.190 nan 0.000 0.459 152 G N 5.241 114.086 108.800 0.075 0.000 2.417 152 G HA2 0.722 4.682 3.960 -0.000 0.000 0.320 152 G HA3 0.722 4.682 3.960 -0.000 0.000 0.320 152 G C -1.029 173.910 174.900 0.066 0.000 1.204 152 G CA -0.414 44.734 45.100 0.080 0.000 0.923 152 G HN 0.607 nan 8.290 nan 0.000 0.466 153 I N 2.319 122.927 120.570 0.064 0.000 2.410 153 I HA 0.319 4.489 4.170 -0.000 0.000 0.286 153 I C 0.528 176.679 176.117 0.058 0.000 1.009 153 I CA -0.554 60.781 61.300 0.059 0.000 1.111 153 I CB 2.331 40.364 38.000 0.055 0.000 1.262 153 I HN 0.579 nan 8.210 nan 0.000 0.443 154 T N 2.621 117.212 114.554 0.062 0.000 2.936 154 T HA 0.874 5.224 4.350 -0.000 0.000 0.282 154 T C 0.087 174.824 174.700 0.062 0.000 1.003 154 T CA -0.755 61.381 62.100 0.060 0.000 1.005 154 T CB 1.976 70.886 68.868 0.069 0.000 1.097 154 T HN 0.535 nan 8.240 nan 0.000 0.532 155 A N 0.681 123.527 122.820 0.044 0.000 2.263 155 A HA 0.619 4.939 4.320 -0.000 0.000 0.318 155 A C 1.026 178.648 177.584 0.063 0.000 1.111 155 A CA -1.008 51.024 52.037 -0.009 0.000 0.901 155 A CB 0.385 19.302 19.000 -0.137 0.000 1.280 155 A HN 1.117 nan 8.150 nan 0.000 0.503 156 W N 0.270 121.610 121.300 0.067 0.000 2.737 156 W HA -0.038 4.622 4.660 -0.000 0.000 0.262 156 W C 1.139 177.661 176.519 0.006 0.000 1.282 156 W CA 0.828 58.196 57.345 0.037 0.000 1.386 156 W CB -0.632 28.840 29.460 0.020 0.000 1.099 156 W HN 0.831 nan 8.180 nan 0.000 0.621 157 N N 2.191 120.809 118.700 -0.137 0.000 2.142 157 N HA -0.196 4.544 4.740 -0.000 0.000 0.186 157 N C -0.069 175.117 175.510 -0.539 0.000 1.023 157 N CA 1.018 53.900 53.050 -0.280 0.000 0.852 157 N CB -1.249 36.958 38.487 -0.467 0.000 0.998 157 N HN 0.131 nan 8.380 nan 0.000 0.424 158 F N -0.194 119.790 119.950 0.057 0.000 2.660 158 F HA 0.448 4.975 4.527 -0.000 0.000 0.352 158 F C -1.813 174.032 175.800 0.075 0.000 1.257 158 F CA -2.104 55.940 58.000 0.074 0.000 1.200 158 F CB 2.158 41.198 39.000 0.067 0.000 1.473 158 F HN -0.131 nan 8.300 nan 0.000 0.561 159 P HA -0.179 nan 4.420 nan 0.000 0.215 159 P C 1.897 179.282 177.300 0.141 0.000 1.157 159 P CA 1.101 64.292 63.100 0.152 0.000 0.868 159 P CB 0.571 32.352 31.700 0.134 0.000 0.788 160 L N -0.900 120.414 121.223 0.153 0.000 2.095 160 L HA 0.055 4.395 4.340 -0.000 0.000 0.204 160 L C 2.397 179.342 176.870 0.126 0.000 1.080 160 L CA 1.598 56.512 54.840 0.122 0.000 0.759 160 L CB -1.467 40.660 42.059 0.113 0.000 0.914 160 L HN -0.147 nan 8.230 nan 0.000 0.439 161 A N -0.723 122.210 122.820 0.189 0.000 1.933 161 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 161 A C 2.187 179.811 177.584 0.068 0.000 1.175 161 A CA 1.754 53.919 52.037 0.213 0.000 0.628 161 A CB -0.798 18.353 19.000 0.252 0.000 0.814 161 A HN 0.434 nan 8.150 nan 0.000 0.444 162 L N -1.031 120.225 121.223 0.055 0.000 2.217 162 L HA -0.084 4.256 4.340 -0.000 0.000 0.211 162 L C 2.995 179.819 176.870 -0.077 0.000 1.107 162 L CA 0.684 55.490 54.840 -0.055 0.000 0.783 162 L CB -0.517 41.563 42.059 0.035 0.000 0.919 162 L HN 0.425 nan 8.230 nan 0.000 0.442 163 A N 0.703 123.520 122.820 -0.005 0.000 1.858 163 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 163 A C 2.435 180.003 177.584 -0.026 0.000 1.190 163 A CA 1.714 53.757 52.037 0.009 0.000 0.617 163 A CB -1.308 17.725 19.000 0.054 0.000 0.827 163 A HN 0.395 nan 8.150 nan 0.000 0.443 164 G N -0.760 108.021 108.800 -0.031 0.000 2.442 164 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.219 164 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.219 164 G C 1.700 176.506 174.900 -0.156 0.000 1.141 164 G CA 1.053 46.136 45.100 -0.028 0.000 0.763 164 G HN 0.552 nan 8.290 nan 0.000 0.554 165 R N 0.351 120.538 120.500 -0.520 0.000 2.200 165 R HA -0.068 4.272 4.340 -0.000 0.000 0.234 165 R C 2.133 178.221 176.300 -0.353 0.000 1.127 165 R CA 1.597 57.118 56.100 -0.963 0.000 0.989 165 R CB -0.058 29.452 30.300 -1.317 0.000 0.869 165 R HN 0.348 nan 8.270 nan 0.000 0.459 166 K N -1.017 119.276 120.400 -0.178 0.000 2.329 166 K HA 0.160 4.480 4.320 -0.000 0.000 0.198 166 K C 1.931 178.485 176.600 -0.077 0.000 1.085 166 K CA 0.209 56.467 56.287 -0.048 0.000 0.961 166 K CB 0.187 32.714 32.500 0.045 0.000 0.971 166 K HN 0.028 nan 8.250 nan 0.000 0.502 167 I N 1.567 122.119 120.570 -0.030 0.000 2.118 167 I HA -0.283 3.887 4.170 -0.000 0.000 0.241 167 I C 2.438 178.554 176.117 -0.003 0.000 1.070 167 I CA 1.765 63.076 61.300 0.018 0.000 1.327 167 I CB -0.792 37.279 38.000 0.118 0.000 1.034 167 I HN 0.316 nan 8.210 nan 0.000 0.405 168 G N 1.820 110.618 108.800 -0.003 0.000 2.628 168 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 168 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 168 G C -0.521 174.345 174.900 -0.057 0.000 1.240 168 G CA 1.250 46.362 45.100 0.020 0.000 0.792 168 G HN 0.322 nan 8.290 nan 0.000 0.593 169 P HA 0.040 nan 4.420 nan 0.000 0.219 169 P C 1.957 178.924 177.300 -0.556 0.000 1.150 169 P CA 1.902 64.786 63.100 -0.360 0.000 0.814 169 P CB -0.121 31.293 31.700 -0.476 0.000 0.787 170 A N 0.364 122.796 122.820 -0.646 0.000 1.873 170 A HA -0.081 4.239 4.320 -0.000 0.000 0.215 170 A C 2.384 179.968 177.584 -0.000 0.000 1.186 170 A CA 1.257 53.081 52.037 -0.355 0.000 0.616 170 A CB -1.506 17.419 19.000 -0.125 0.000 0.823 170 A HN 0.104 nan 8.150 nan 0.000 0.442 171 L N -1.160 120.102 121.223 0.065 0.000 2.156 171 L HA -0.058 4.282 4.340 -0.000 0.000 0.208 171 L C 2.428 179.539 176.870 0.401 0.000 1.095 171 L CA 0.684 55.710 54.840 0.310 0.000 0.770 171 L CB -0.427 41.766 42.059 0.222 0.000 0.914 171 L HN 0.369 nan 8.230 nan 0.000 0.439 172 I N 0.469 121.139 120.570 0.167 0.000 2.394 172 I HA -0.222 3.948 4.170 -0.000 0.000 0.251 172 I C 2.409 178.538 176.117 0.020 0.000 1.136 172 I CA 1.657 63.004 61.300 0.078 0.000 1.425 172 I CB -0.162 37.849 38.000 0.019 0.000 1.079 172 I HN 0.278 nan 8.210 nan 0.000 0.425 173 T N -2.225 112.357 114.554 0.047 0.000 3.194 173 T HA 0.313 4.663 4.350 -0.000 0.000 0.251 173 T C 1.426 176.167 174.700 0.069 0.000 1.132 173 T CA 0.294 62.424 62.100 0.050 0.000 1.028 173 T CB -0.497 68.425 68.868 0.090 0.000 0.976 173 T HN 0.604 nan 8.240 nan 0.000 0.535 174 G N 1.256 110.114 108.800 0.096 0.000 2.141 174 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.231 174 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.231 174 G C -0.126 174.967 174.900 0.322 0.000 0.984 174 G CA -0.329 44.815 45.100 0.073 0.000 0.660 174 G HN 0.605 nan 8.290 nan 0.000 0.525 175 N N 0.887 119.791 118.700 0.340 0.000 2.493 175 N HA 0.548 5.288 4.740 -0.000 0.000 0.275 175 N C 0.631 176.278 175.510 0.229 0.000 1.186 175 N CA 0.666 53.875 53.050 0.265 0.000 0.978 175 N CB 1.209 39.818 38.487 0.204 0.000 1.184 175 N HN 0.513 nan 8.380 nan 0.000 0.487 176 T N -2.277 112.324 114.554 0.079 0.000 2.944 176 T HA 0.635 4.985 4.350 -0.000 0.000 0.284 176 T C 0.069 174.745 174.700 -0.040 0.000 1.010 176 T CA -0.868 61.172 62.100 -0.101 0.000 1.025 176 T CB 1.551 70.341 68.868 -0.130 0.000 1.079 176 T HN 0.487 nan 8.240 nan 0.000 0.516 177 M N 1.702 121.255 119.600 -0.078 0.000 2.464 177 M HA 0.651 5.131 4.480 -0.000 0.000 0.308 177 M C -2.008 174.281 176.300 -0.019 0.000 1.127 177 M CA -0.922 54.367 55.300 -0.018 0.000 0.913 177 M CB 2.023 34.622 32.600 -0.001 0.000 1.689 177 M HN 0.511 nan 8.290 nan 0.000 0.445 178 V N 5.239 125.159 119.914 0.009 0.000 2.357 178 V HA 0.428 4.548 4.120 -0.000 0.000 0.284 178 V C -0.895 175.221 176.094 0.036 0.000 1.018 178 V CA -0.755 61.555 62.300 0.017 0.000 0.841 178 V CB 1.261 33.092 31.823 0.013 0.000 0.991 178 V HN 0.738 nan 8.190 nan 0.000 0.437 179 L N 6.097 127.346 121.223 0.045 0.000 2.282 179 L HA 0.644 4.984 4.340 -0.000 0.000 0.288 179 L C -0.269 176.639 176.870 0.063 0.000 1.033 179 L CA -0.061 54.813 54.840 0.057 0.000 0.807 179 L CB 1.142 43.237 42.059 0.061 0.000 1.209 179 L HN 0.392 nan 8.230 nan 0.000 0.423 180 K N 7.372 127.809 120.400 0.062 0.000 2.464 180 K HA 0.549 4.869 4.320 -0.000 0.000 0.252 180 K C -2.772 173.869 176.600 0.068 0.000 1.000 180 K CA -2.158 54.167 56.287 0.062 0.000 0.951 180 K CB 1.486 34.018 32.500 0.054 0.000 1.183 180 K HN 0.377 nan 8.250 nan 0.000 0.445 181 P HA 0.147 nan 4.420 nan 0.000 0.278 181 P C -0.272 177.078 177.300 0.083 0.000 1.266 181 P CA -0.333 62.817 63.100 0.083 0.000 0.807 181 P CB 0.355 32.106 31.700 0.085 0.000 1.094 182 T N -2.115 112.502 114.554 0.105 0.000 2.903 182 T HA 0.008 4.358 4.350 -0.000 0.000 0.314 182 T C 1.465 176.207 174.700 0.071 0.000 1.078 182 T CA -0.070 62.096 62.100 0.110 0.000 1.114 182 T CB 0.001 68.981 68.868 0.188 0.000 0.987 182 T HN 0.564 nan 8.240 nan 0.000 0.548 183 Q N 0.749 120.578 119.800 0.049 0.000 2.364 183 Q HA -0.091 4.249 4.340 -0.000 0.000 0.207 183 Q C 1.604 177.597 176.000 -0.012 0.000 0.970 183 Q CA 1.392 57.205 55.803 0.016 0.000 0.888 183 Q CB -0.148 28.595 28.738 0.008 0.000 0.951 183 Q HN 0.886 nan 8.270 nan 0.000 0.469 184 E N 0.942 121.136 120.200 -0.010 0.000 2.340 184 E HA -0.006 4.344 4.350 -0.000 0.000 0.194 184 E C 0.072 176.642 176.600 -0.049 0.000 0.996 184 E CA 1.117 57.477 56.400 -0.068 0.000 0.869 184 E CB 0.763 30.371 29.700 -0.154 0.000 0.835 184 E HN 0.498 nan 8.360 nan 0.000 0.493 185 T N -1.472 113.094 114.554 0.021 0.000 3.583 185 T HA 0.237 4.587 4.350 -0.000 0.000 0.266 185 T C -2.515 172.218 174.700 0.055 0.000 1.296 185 T CA -1.329 60.795 62.100 0.040 0.000 1.668 185 T CB 1.330 70.268 68.868 0.117 0.000 0.832 185 T HN -0.121 nan 8.240 nan 0.000 0.649 186 P HA 0.361 nan 4.420 nan 0.000 0.281 186 P C 1.277 178.608 177.300 0.053 0.000 1.291 186 P CA -0.284 62.842 63.100 0.044 0.000 0.906 186 P CB 0.510 32.228 31.700 0.030 0.000 1.388 187 L N -0.147 121.092 121.223 0.027 0.000 2.068 187 L HA 0.040 4.380 4.340 -0.000 0.000 0.204 187 L C 2.709 179.680 176.870 0.169 0.000 1.076 187 L CA 1.544 56.430 54.840 0.077 0.000 0.753 187 L CB -1.218 40.808 42.059 -0.055 0.000 0.910 187 L HN -0.102 nan 8.230 nan 0.000 0.439 188 A N -0.180 122.739 122.820 0.165 0.000 1.933 188 A HA -0.190 4.130 4.320 -0.000 0.000 0.218 188 A C 2.363 180.015 177.584 0.115 0.000 1.175 188 A CA 2.312 54.435 52.037 0.144 0.000 0.628 188 A CB -0.934 18.143 19.000 0.128 0.000 0.814 188 A HN 0.390 nan 8.150 nan 0.000 0.444 189 T N -0.027 114.592 114.554 0.109 0.000 2.746 189 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 189 T C 1.937 176.701 174.700 0.107 0.000 1.039 189 T CA 1.969 64.130 62.100 0.102 0.000 1.142 189 T CB -0.541 68.385 68.868 0.097 0.000 0.866 189 T HN 0.582 nan 8.240 nan 0.000 0.444 190 T N 1.435 116.066 114.554 0.128 0.000 2.951 190 T HA -0.041 4.309 4.350 -0.000 0.000 0.268 190 T C 1.873 176.693 174.700 0.201 0.000 1.073 190 T CA 0.962 63.170 62.100 0.180 0.000 1.134 190 T CB -0.211 68.774 68.868 0.195 0.000 0.884 190 T HN 0.300 nan 8.240 nan 0.000 0.479 191 E N 1.282 121.571 120.200 0.148 0.000 2.267 191 E HA -0.029 4.321 4.350 -0.000 0.000 0.197 191 E C 1.823 178.476 176.600 0.088 0.000 0.998 191 E CA 0.619 57.095 56.400 0.127 0.000 0.830 191 E CB -0.661 29.096 29.700 0.095 0.000 0.751 191 E HN 0.477 nan 8.360 nan 0.000 0.491 192 L N -0.928 120.332 121.223 0.061 0.000 2.191 192 L HA -0.083 4.257 4.340 -0.000 0.000 0.212 192 L C 2.320 179.104 176.870 -0.143 0.000 1.103 192 L CA 0.990 55.872 54.840 0.070 0.000 0.769 192 L CB -0.799 41.349 42.059 0.147 0.000 0.908 192 L HN 0.312 nan 8.230 nan 0.000 0.438 193 G N 0.110 108.606 108.800 -0.506 0.000 2.459 193 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.217 193 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.217 193 G C 1.719 175.929 174.900 -1.150 0.000 1.183 193 G CA 0.867 44.950 45.100 -1.694 0.000 0.776 193 G HN 0.284 nan 8.290 nan 0.000 0.552 194 R N 0.224 120.496 120.500 -0.379 0.000 2.083 194 R HA -0.051 4.289 4.340 -0.000 0.000 0.237 194 R C 2.616 178.905 176.300 -0.019 0.000 1.137 194 R CA 1.630 57.723 56.100 -0.011 0.000 0.951 194 R CB -0.388 30.028 30.300 0.194 0.000 0.851 194 R HN 0.458 nan 8.270 nan 0.000 0.434 195 I N 0.755 121.337 120.570 0.020 0.000 2.315 195 I HA -0.202 3.968 4.170 -0.000 0.000 0.248 195 I C 2.627 178.830 176.117 0.142 0.000 1.117 195 I CA 1.074 62.457 61.300 0.139 0.000 1.404 195 I CB -0.426 37.709 38.000 0.226 0.000 1.071 195 I HN 0.293 nan 8.210 nan 0.000 0.419 196 A N 1.097 123.846 122.820 -0.119 0.000 1.877 196 A HA -0.279 4.041 4.320 -0.000 0.000 0.216 196 A C 2.317 179.752 177.584 -0.249 0.000 1.186 196 A CA 2.144 53.846 52.037 -0.558 0.000 0.620 196 A CB -0.506 18.052 19.000 -0.737 0.000 0.822 196 A HN 0.264 nan 8.150 nan 0.000 0.443 197 K N 0.152 120.480 120.400 -0.120 0.000 2.063 197 K HA -0.156 4.164 4.320 -0.000 0.000 0.208 197 K C 1.855 178.462 176.600 0.013 0.000 1.048 197 K CA 2.019 58.306 56.287 -0.000 0.000 0.928 197 K CB -0.285 32.271 32.500 0.093 0.000 0.713 197 K HN 0.630 nan 8.250 nan 0.000 0.442 198 E N -0.777 119.441 120.200 0.030 0.000 2.150 198 E HA -0.112 4.238 4.350 -0.000 0.000 0.193 198 E C 1.653 178.289 176.600 0.060 0.000 0.985 198 E CA 0.875 57.306 56.400 0.053 0.000 0.814 198 E CB -0.067 29.676 29.700 0.071 0.000 0.752 198 E HN 0.436 nan 8.360 nan 0.000 0.466 199 A N 0.239 123.098 122.820 0.066 0.000 2.167 199 A HA 0.162 4.482 4.320 -0.000 0.000 0.214 199 A C 1.755 179.372 177.584 0.055 0.000 1.151 199 A CA 0.935 53.027 52.037 0.092 0.000 0.735 199 A CB -0.291 18.811 19.000 0.171 0.000 0.802 199 A HN 0.340 nan 8.150 nan 0.000 0.467 200 G N -1.801 107.012 108.800 0.022 0.000 2.132 200 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.234 200 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.234 200 G C 0.009 174.921 174.900 0.019 0.000 0.989 200 G CA 0.154 45.270 45.100 0.027 0.000 0.676 200 G HN 0.704 nan 8.290 nan 0.000 0.522 201 L N 1.862 123.059 121.223 -0.043 0.000 2.455 201 L HA 0.532 4.872 4.340 -0.000 0.000 0.272 201 L C -1.387 175.432 176.870 -0.083 0.000 1.174 201 L CA -1.394 53.390 54.840 -0.094 0.000 0.869 201 L CB 0.242 42.119 42.059 -0.304 0.000 1.130 201 L HN -0.009 nan 8.230 nan 0.000 0.474 202 P HA 0.053 nan 4.420 nan 0.000 0.269 202 P C -1.245 175.992 177.300 -0.105 0.000 1.209 202 P CA -0.240 62.838 63.100 -0.036 0.000 0.776 202 P CB 0.313 32.041 31.700 0.047 0.000 0.876 203 D N 1.550 121.903 120.400 -0.079 0.000 2.487 203 D HA 0.247 4.887 4.640 -0.000 0.000 0.243 203 D C 1.618 177.839 176.300 -0.133 0.000 1.154 203 D CA 1.622 55.555 54.000 -0.113 0.000 0.876 203 D CB -0.124 40.611 40.800 -0.108 0.000 1.161 203 D HN 0.673 nan 8.370 nan 0.000 0.478 204 G N 1.127 109.830 108.800 -0.161 0.000 2.176 204 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.253 204 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.253 204 G C 1.141 175.930 174.900 -0.186 0.000 0.979 204 G CA 0.255 45.263 45.100 -0.152 0.000 0.641 204 G HN 0.453 nan 8.290 nan 0.000 0.530 205 V N -0.360 119.388 119.914 -0.276 0.000 2.346 205 V HA 0.286 4.406 4.120 -0.000 0.000 0.244 205 V C 1.242 177.106 176.094 -0.383 0.000 1.037 205 V CA 1.830 63.838 62.300 -0.487 0.000 1.029 205 V CB 0.020 31.297 31.823 -0.910 0.000 0.663 205 V HN 0.419 nan 8.190 nan 0.000 0.454 206 L N 1.953 123.008 121.223 -0.280 0.000 2.298 206 L HA 0.503 4.843 4.340 -0.000 0.000 0.284 206 L C -0.641 176.225 176.870 -0.006 0.000 1.013 206 L CA 0.014 54.760 54.840 -0.157 0.000 0.824 206 L CB 0.936 42.872 42.059 -0.206 0.000 1.221 206 L HN 0.195 nan 8.230 nan 0.000 0.418 207 N N 4.586 123.292 118.700 0.010 0.000 2.342 207 N HA 0.466 5.206 4.740 -0.000 0.000 0.293 207 N C -1.293 174.274 175.510 0.095 0.000 1.026 207 N CA -0.465 52.630 53.050 0.074 0.000 0.857 207 N CB 2.664 41.150 38.487 -0.001 0.000 1.256 207 N HN 0.285 nan 8.380 nan 0.000 0.484 208 V N 3.122 123.136 119.914 0.167 0.000 2.370 208 V HA 0.495 4.615 4.120 -0.000 0.000 0.283 208 V C 0.288 176.462 176.094 0.133 0.000 1.023 208 V CA -0.695 61.689 62.300 0.140 0.000 0.857 208 V CB 1.559 33.472 31.823 0.150 0.000 0.985 208 V HN 0.590 nan 8.190 nan 0.000 0.443 209 I N 4.627 125.253 120.570 0.094 0.000 2.545 209 I HA 0.564 4.734 4.170 -0.000 0.000 0.292 209 I C -0.921 175.239 176.117 0.072 0.000 1.040 209 I CA -0.475 60.872 61.300 0.078 0.000 1.068 209 I CB 2.051 40.081 38.000 0.051 0.000 1.251 209 I HN 0.602 nan 8.210 nan 0.000 0.424 210 N N 4.429 123.170 118.700 0.068 0.000 2.335 210 N HA 0.833 5.573 4.740 -0.000 0.000 0.304 210 N C -0.251 175.285 175.510 0.042 0.000 1.135 210 N CA -0.158 52.926 53.050 0.058 0.000 0.817 210 N CB 2.215 40.739 38.487 0.062 0.000 1.294 210 N HN 0.964 nan 8.380 nan 0.000 0.497 211 G N -0.499 108.322 108.800 0.035 0.000 2.302 211 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.276 211 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.276 211 G C -0.878 174.037 174.900 0.025 0.000 1.316 211 G CA -0.523 44.592 45.100 0.026 0.000 0.988 211 G HN 0.619 nan 8.290 nan 0.000 0.479 212 T N -0.786 113.780 114.554 0.021 0.000 2.918 212 T HA 0.492 4.842 4.350 -0.000 0.000 0.302 212 T C 1.788 176.504 174.700 0.026 0.000 1.045 212 T CA 0.918 63.030 62.100 0.020 0.000 1.114 212 T CB 1.345 70.222 68.868 0.015 0.000 0.965 212 T HN 1.922 nan 8.240 nan 0.000 0.540 213 G N 1.155 109.973 108.800 0.030 0.000 2.422 213 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 213 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 213 G C 1.757 176.674 174.900 0.028 0.000 1.146 213 G CA 0.769 45.889 45.100 0.033 0.000 0.769 213 G HN 0.961 nan 8.290 nan 0.000 0.547 214 S N -0.575 115.139 115.700 0.023 0.000 2.453 214 S HA 0.091 4.561 4.470 -0.000 0.000 0.231 214 S C 1.886 176.496 174.600 0.018 0.000 1.005 214 S CA 1.217 59.429 58.200 0.019 0.000 0.949 214 S CB 0.204 63.413 63.200 0.015 0.000 0.774 214 S HN 0.123 nan 8.310 nan 0.000 0.510 215 V N 0.204 120.129 119.914 0.018 0.000 2.950 215 V HA 0.140 4.260 4.120 -0.000 0.000 0.231 215 V C 2.405 178.511 176.094 0.020 0.000 1.205 215 V CA 0.652 62.963 62.300 0.018 0.000 1.239 215 V CB -0.217 31.615 31.823 0.014 0.000 1.050 215 V HN 0.351 nan 8.190 nan 0.000 0.498 216 V N 1.396 121.323 119.914 0.022 0.000 2.244 216 V HA -0.134 3.986 4.120 -0.000 0.000 0.244 216 V C 2.711 178.821 176.094 0.027 0.000 1.042 216 V CA 2.569 64.884 62.300 0.024 0.000 1.006 216 V CB -1.464 30.376 31.823 0.027 0.000 0.641 216 V HN 0.598 nan 8.190 nan 0.000 0.446 217 G N -0.865 107.953 108.800 0.030 0.000 2.476 217 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.218 217 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.218 217 G C 1.544 176.463 174.900 0.030 0.000 1.164 217 G CA 1.306 46.425 45.100 0.033 0.000 0.768 217 G HN 0.504 nan 8.290 nan 0.000 0.560 218 Q N 0.251 120.068 119.800 0.028 0.000 2.084 218 Q HA -0.068 4.272 4.340 -0.000 0.000 0.202 218 Q C 2.632 178.649 176.000 0.029 0.000 0.978 218 Q CA 2.254 58.074 55.803 0.028 0.000 0.844 218 Q CB -0.731 28.021 28.738 0.025 0.000 0.898 218 Q HN 0.417 nan 8.270 nan 0.000 0.426 219 T N 0.864 115.434 114.554 0.025 0.000 2.746 219 T HA -0.096 4.254 4.350 -0.000 0.000 0.267 219 T C 1.731 176.444 174.700 0.023 0.000 1.039 219 T CA 1.339 63.453 62.100 0.024 0.000 1.142 219 T CB -0.288 68.591 68.868 0.019 0.000 0.866 219 T HN 0.226 nan 8.240 nan 0.000 0.444 220 L N 0.502 121.738 121.223 0.021 0.000 2.042 220 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 220 L C 2.842 179.724 176.870 0.020 0.000 1.076 220 L CA 1.079 55.929 54.840 0.018 0.000 0.749 220 L CB -0.760 41.313 42.059 0.023 0.000 0.893 220 L HN 0.385 nan 8.230 nan 0.000 0.432 221 C N -0.579 118.738 119.300 0.028 0.000 2.450 221 C HA -0.096 4.364 4.460 -0.000 0.000 0.279 221 C C 2.577 177.596 174.990 0.048 0.000 1.335 221 C CA 0.376 59.413 59.018 0.031 0.000 1.749 221 C CB -0.695 27.062 27.740 0.028 0.000 1.963 221 C HN 0.485 nan 8.230 nan 0.000 0.501 222 E N 0.372 120.607 120.200 0.058 0.000 2.299 222 E HA -0.053 4.297 4.350 -0.000 0.000 0.193 222 E C 1.029 177.713 176.600 0.140 0.000 0.998 222 E CA 0.088 56.548 56.400 0.100 0.000 0.851 222 E CB 0.064 29.811 29.700 0.078 0.000 0.795 222 E HN 0.429 nan 8.360 nan 0.000 0.492 223 S N 1.260 116.985 115.700 0.043 0.000 2.549 223 S HA 0.041 4.511 4.470 -0.000 0.000 0.283 223 S C -1.604 172.860 174.600 -0.226 0.000 1.320 223 S CA -1.419 56.751 58.200 -0.050 0.000 1.058 223 S CB 0.838 64.010 63.200 -0.047 0.000 0.882 223 S HN -0.043 nan 8.310 nan 0.000 0.498 224 P HA 0.015 nan 4.420 nan 0.000 0.229 224 P C 1.326 178.383 177.300 -0.403 0.000 1.160 224 P CA 0.758 63.295 63.100 -0.938 0.000 0.777 224 P CB 0.005 31.057 31.700 -1.079 0.000 0.814 225 I N -0.375 120.053 120.570 -0.236 0.000 2.315 225 I HA -0.095 4.075 4.170 -0.000 0.000 0.248 225 I C 0.652 176.717 176.117 -0.087 0.000 1.117 225 I CA 0.923 62.147 61.300 -0.127 0.000 1.404 225 I CB -1.075 36.873 38.000 -0.087 0.000 1.071 225 I HN -0.109 nan 8.210 nan 0.000 0.419 226 T N 3.064 117.568 114.554 -0.083 0.000 2.817 226 T HA 0.037 4.387 4.350 -0.000 0.000 0.295 226 T C 1.064 175.748 174.700 -0.026 0.000 0.958 226 T CA -0.009 62.070 62.100 -0.035 0.000 1.157 226 T CB 0.726 69.584 68.868 -0.017 0.000 0.898 226 T HN 0.133 nan 8.240 nan 0.000 0.536 227 K N 2.433 122.833 120.400 -0.001 0.000 2.353 227 K HA 0.329 4.649 4.320 -0.000 0.000 0.195 227 K C 0.288 176.901 176.600 0.021 0.000 1.031 227 K CA 0.206 56.500 56.287 0.012 0.000 1.079 227 K CB 0.561 33.075 32.500 0.023 0.000 0.857 227 K HN 0.592 nan 8.250 nan 0.000 0.535 228 M N 0.408 120.022 119.600 0.023 0.000 2.523 228 M HA 0.337 4.817 4.480 -0.000 0.000 0.287 228 M C -1.988 174.324 176.300 0.021 0.000 1.160 228 M CA -0.514 54.793 55.300 0.011 0.000 0.902 228 M CB 1.867 34.471 32.600 0.006 0.000 1.752 228 M HN -0.137 nan 8.290 nan 0.000 0.504 229 I N 2.097 122.670 120.570 0.004 0.000 2.447 229 I HA 0.395 4.565 4.170 -0.000 0.000 0.287 229 I C -0.386 175.747 176.117 0.026 0.000 1.023 229 I CA -0.562 60.751 61.300 0.022 0.000 1.083 229 I CB 2.135 40.142 38.000 0.012 0.000 1.245 229 I HN 0.608 nan 8.210 nan 0.000 0.434 230 T N 7.689 122.279 114.554 0.060 0.000 2.792 230 T HA 0.635 4.985 4.350 -0.000 0.000 0.280 230 T C -0.797 173.952 174.700 0.083 0.000 0.990 230 T CA -0.494 61.652 62.100 0.077 0.000 0.960 230 T CB 0.888 69.839 68.868 0.138 0.000 0.939 230 T HN 0.544 nan 8.240 nan 0.000 0.439 231 M N 4.507 124.154 119.600 0.078 0.000 2.386 231 M HA 0.460 4.940 4.480 -0.000 0.000 0.293 231 M C -1.545 174.796 176.300 0.067 0.000 1.120 231 M CA -0.251 55.090 55.300 0.068 0.000 0.909 231 M CB 2.030 34.668 32.600 0.062 0.000 1.661 231 M HN 0.626 nan 8.290 nan 0.000 0.452 232 T N 3.001 117.587 114.554 0.052 0.000 2.856 232 T HA 0.930 5.280 4.350 -0.000 0.000 0.283 232 T C 0.030 174.734 174.700 0.007 0.000 1.008 232 T CA 0.084 62.209 62.100 0.041 0.000 0.997 232 T CB 1.808 70.702 68.868 0.043 0.000 0.992 232 T HN 1.021 nan 8.240 nan 0.000 0.454 233 G N 1.511 110.296 108.800 -0.026 0.000 2.398 233 G HA2 0.377 4.337 3.960 -0.000 0.000 0.251 233 G HA3 0.377 4.337 3.960 -0.000 0.000 0.251 233 G C -0.689 174.154 174.900 -0.094 0.000 1.277 233 G CA -0.277 44.777 45.100 -0.076 0.000 0.927 233 G HN 1.007 nan 8.290 nan 0.000 0.477 234 S N -0.671 114.983 115.700 -0.078 0.000 2.601 234 S HA 0.520 4.990 4.470 -0.000 0.000 0.271 234 S C 1.300 175.896 174.600 -0.006 0.000 1.305 234 S CA 0.919 59.075 58.200 -0.073 0.000 1.022 234 S CB 1.487 64.657 63.200 -0.050 0.000 0.940 234 S HN 0.888 nan 8.310 nan 0.000 0.525 235 T N 2.086 116.656 114.554 0.027 0.000 2.759 235 T HA -0.106 4.244 4.350 -0.000 0.000 0.269 235 T C 1.819 176.545 174.700 0.042 0.000 1.042 235 T CA 1.526 63.667 62.100 0.068 0.000 1.140 235 T CB -0.439 68.515 68.868 0.142 0.000 0.864 235 T HN 0.501 nan 8.240 nan 0.000 0.455 236 V N 1.639 121.573 119.914 0.033 0.000 2.261 236 V HA -0.176 3.944 4.120 -0.000 0.000 0.246 236 V C 2.881 178.990 176.094 0.025 0.000 1.047 236 V CA 1.832 64.146 62.300 0.024 0.000 1.015 236 V CB -1.223 30.613 31.823 0.022 0.000 0.642 236 V HN 0.525 nan 8.190 nan 0.000 0.446 237 A N 0.451 123.287 122.820 0.026 0.000 1.930 237 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 237 A C 2.410 180.019 177.584 0.041 0.000 1.175 237 A CA 1.807 53.863 52.037 0.031 0.000 0.627 237 A CB -1.239 17.779 19.000 0.031 0.000 0.815 237 A HN 0.540 nan 8.150 nan 0.000 0.443 238 G N -0.073 108.754 108.800 0.045 0.000 2.476 238 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.218 238 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.218 238 G C 1.684 176.632 174.900 0.080 0.000 1.164 238 G CA 1.162 46.303 45.100 0.067 0.000 0.768 238 G HN 0.554 nan 8.290 nan 0.000 0.560 239 K N -0.227 120.202 120.400 0.048 0.000 2.097 239 K HA -0.115 4.205 4.320 -0.000 0.000 0.206 239 K C 2.577 179.212 176.600 0.058 0.000 1.049 239 K CA 1.378 57.683 56.287 0.030 0.000 0.933 239 K CB -0.118 32.374 32.500 -0.014 0.000 0.717 239 K HN 0.309 nan 8.250 nan 0.000 0.442 240 Q N 1.552 121.379 119.800 0.046 0.000 2.084 240 Q HA -0.095 4.245 4.340 -0.000 0.000 0.202 240 Q C 1.775 177.806 176.000 0.052 0.000 0.978 240 Q CA 1.442 57.270 55.803 0.042 0.000 0.844 240 Q CB -0.232 28.524 28.738 0.030 0.000 0.898 240 Q HN 0.300 nan 8.270 nan 0.000 0.426 241 I N -0.424 120.181 120.570 0.058 0.000 2.226 241 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 241 I C 1.886 178.027 176.117 0.042 0.000 1.100 241 I CA 1.207 62.535 61.300 0.046 0.000 1.374 241 I CB -0.349 37.678 38.000 0.045 0.000 1.057 241 I HN 0.255 nan 8.210 nan 0.000 0.413 242 Y N 1.885 122.150 120.300 -0.059 0.000 2.097 242 Y HA -0.334 4.216 4.550 0.000 0.000 0.282 242 Y C 2.484 178.330 175.900 -0.090 0.000 1.152 242 Y CA 1.843 59.877 58.100 -0.110 0.000 1.136 242 Y CB -0.204 38.163 38.460 -0.155 0.000 0.975 242 Y HN 0.003 nan 8.280 nan 0.000 0.498 243 K N -1.156 119.345 120.400 0.168 0.000 2.063 243 K HA -0.162 4.157 4.320 -0.000 0.000 0.208 243 K C 1.977 178.588 176.600 0.019 0.000 1.048 243 K CA 1.980 58.318 56.287 0.085 0.000 0.928 243 K CB -0.438 32.095 32.500 0.054 0.000 0.713 243 K HN 0.246 nan 8.250 nan 0.000 0.442 244 T N 0.561 115.123 114.554 0.013 0.000 2.833 244 T HA -0.131 4.219 4.350 -0.000 0.000 0.269 244 T C 1.935 176.626 174.700 -0.014 0.000 1.054 244 T CA 1.639 63.741 62.100 0.003 0.000 1.135 244 T CB -0.215 68.664 68.868 0.018 0.000 0.869 244 T HN 0.369 nan 8.240 nan 0.000 0.466 245 S N 1.103 116.768 115.700 -0.058 0.000 2.561 245 S HA 0.253 4.723 4.470 -0.000 0.000 0.225 245 S C 2.212 176.751 174.600 -0.101 0.000 0.977 245 S CA 0.553 58.702 58.200 -0.084 0.000 0.926 245 S CB -0.290 62.805 63.200 -0.176 0.000 0.769 245 S HN 0.445 nan 8.310 nan 0.000 0.533 246 A N 1.481 124.240 122.820 -0.101 0.000 1.969 246 A HA -0.015 4.305 4.320 -0.000 0.000 0.218 246 A C 2.141 179.658 177.584 -0.110 0.000 1.169 246 A CA 1.613 53.592 52.037 -0.096 0.000 0.635 246 A CB -0.761 18.203 19.000 -0.060 0.000 0.810 246 A HN 0.542 nan 8.150 nan 0.000 0.445 247 E N -0.650 119.460 120.200 -0.149 0.000 2.051 247 E HA -0.148 4.202 4.350 -0.000 0.000 0.192 247 E C 0.701 177.022 176.600 -0.464 0.000 0.991 247 E CA 1.427 57.631 56.400 -0.327 0.000 0.799 247 E CB -0.325 29.115 29.700 -0.433 0.000 0.748 247 E HN 0.724 nan 8.360 nan 0.000 0.449 248 Y N -0.768 119.513 120.300 -0.031 0.000 2.607 248 Y HA 0.349 4.899 4.550 -0.000 0.000 0.266 248 Y C 0.097 175.976 175.900 -0.034 0.000 1.178 248 Y CA -0.195 57.889 58.100 -0.026 0.000 1.226 248 Y CB -0.304 38.144 38.460 -0.020 0.000 1.144 248 Y HN -0.110 nan 8.280 nan 0.000 0.528 249 M N 1.065 120.679 119.600 0.024 0.000 2.405 249 M HA -0.233 4.247 4.480 -0.000 0.000 0.181 249 M C -0.665 175.631 176.300 -0.007 0.000 0.878 249 M CA 0.830 56.120 55.300 -0.016 0.000 0.537 249 M CB -1.351 31.241 32.600 -0.013 0.000 1.090 249 M HN 0.156 nan 8.290 nan 0.000 0.874 250 T N 1.505 116.048 114.554 -0.018 0.000 2.743 250 T HA 0.416 4.766 4.350 -0.000 0.000 0.293 250 T C -2.075 172.583 174.700 -0.069 0.000 0.945 250 T CA -1.162 60.931 62.100 -0.013 0.000 1.030 250 T CB 0.873 69.747 68.868 0.009 0.000 0.912 250 T HN 0.151 nan 8.240 nan 0.000 0.483 251 P HA 0.093 nan 4.420 nan 0.000 0.261 251 P C -0.569 176.699 177.300 -0.054 0.000 1.173 251 P CA -0.135 62.944 63.100 -0.035 0.000 0.760 251 P CB 0.168 31.862 31.700 -0.010 0.000 0.783 252 V N 1.528 121.409 119.914 -0.056 0.000 2.680 252 V HA 0.707 4.827 4.120 -0.000 0.000 0.309 252 V C -0.496 175.672 176.094 0.124 0.000 1.052 252 V CA -0.999 61.287 62.300 -0.024 0.000 0.908 252 V CB 2.187 33.928 31.823 -0.137 0.000 1.001 252 V HN 0.483 nan 8.190 nan 0.000 0.431 253 M N 5.808 125.465 119.600 0.096 0.000 2.243 253 M HA 0.736 5.216 4.480 -0.000 0.000 0.324 253 M C -2.238 174.151 176.300 0.148 0.000 1.031 253 M CA -0.581 54.803 55.300 0.141 0.000 0.949 253 M CB 1.615 34.241 32.600 0.044 0.000 1.615 253 M HN 0.806 nan 8.290 nan 0.000 0.430 254 L N 4.521 125.862 121.223 0.196 0.000 2.438 254 L HA 0.578 4.918 4.340 -0.000 0.000 0.270 254 L C -0.994 175.955 176.870 0.132 0.000 0.972 254 L CA -0.759 54.179 54.840 0.163 0.000 0.831 254 L CB 2.143 44.320 42.059 0.198 0.000 1.273 254 L HN 0.613 nan 8.230 nan 0.000 0.405 255 E N 4.742 125.002 120.200 0.099 0.000 2.220 255 E HA 0.629 4.979 4.350 -0.000 0.000 0.256 255 E C -0.782 175.854 176.600 0.060 0.000 0.881 255 E CA -0.255 56.191 56.400 0.077 0.000 0.766 255 E CB 2.693 32.463 29.700 0.117 0.000 1.187 255 E HN 0.479 nan 8.360 nan 0.000 0.419 256 L N 0.081 121.331 121.223 0.045 0.000 2.670 256 L HA 0.685 5.025 4.340 -0.000 0.000 0.251 256 L C 1.205 178.065 176.870 -0.017 0.000 1.548 256 L CA -1.250 53.605 54.840 0.025 0.000 1.643 256 L CB 0.154 42.256 42.059 0.072 0.000 2.174 256 L HN 0.467 nan 8.230 nan 0.000 0.585 257 G N -1.386 107.388 108.800 -0.043 0.000 2.651 257 G HA2 0.514 4.474 3.960 -0.000 0.000 0.260 257 G HA3 0.514 4.474 3.960 -0.000 0.000 0.260 257 G C -0.556 174.139 174.900 -0.341 0.000 1.216 257 G CA 0.261 45.222 45.100 -0.232 0.000 0.913 257 G HN 0.761 nan 8.290 nan 0.000 0.535 258 G N -1.494 106.978 108.800 -0.546 0.000 2.695 258 G HA2 0.505 4.465 3.960 -0.000 0.000 0.290 258 G HA3 0.505 4.465 3.960 -0.000 0.000 0.290 258 G C -1.110 173.492 174.900 -0.495 0.000 1.410 258 G CA -0.659 44.174 45.100 -0.445 0.000 0.844 258 G HN 0.576 nan 8.290 nan 0.000 0.478 259 K N 0.300 120.598 120.400 -0.170 0.000 3.253 259 K HA 0.592 4.912 4.320 -0.000 0.000 0.174 259 K C 0.298 176.927 176.600 0.048 0.000 1.071 259 K CA -0.271 56.001 56.287 -0.024 0.000 0.836 259 K CB 0.374 32.949 32.500 0.126 0.000 0.922 259 K HN 0.787 nan 8.250 nan 0.000 0.565 260 A N 2.883 125.733 122.820 0.051 0.000 2.537 260 A HA 0.269 4.589 4.320 -0.000 0.000 0.260 260 A C -2.204 175.470 177.584 0.150 0.000 1.082 260 A CA -0.624 51.479 52.037 0.110 0.000 0.765 260 A CB -0.463 18.648 19.000 0.184 0.000 1.019 260 A HN 0.372 nan 8.150 nan 0.000 0.507 261 P HA 0.368 nan 4.420 nan 0.000 0.284 261 P C -0.604 176.864 177.300 0.280 0.000 1.258 261 P CA -0.479 62.751 63.100 0.216 0.000 0.824 261 P CB 1.229 33.137 31.700 0.347 0.000 1.038 262 M N 3.382 123.105 119.600 0.205 0.000 2.243 262 M HA 0.401 4.880 4.480 -0.000 0.000 0.324 262 M C -1.205 175.202 176.300 0.178 0.000 1.031 262 M CA -1.053 54.371 55.300 0.206 0.000 0.949 262 M CB 1.724 34.363 32.600 0.066 0.000 1.615 262 M HN 0.164 nan 8.290 nan 0.000 0.430 263 V N 6.055 126.081 119.914 0.186 0.000 2.435 263 V HA 0.680 4.800 4.120 -0.000 0.000 0.290 263 V C -1.373 174.764 176.094 0.072 0.000 1.030 263 V CA -0.366 62.021 62.300 0.145 0.000 0.881 263 V CB 1.762 33.667 31.823 0.137 0.000 0.983 263 V HN 0.699 nan 8.190 nan 0.000 0.445 264 V N 8.226 128.124 119.914 -0.026 0.000 2.328 264 V HA 0.449 4.569 4.120 -0.000 0.000 0.278 264 V C 0.470 176.549 176.094 -0.024 0.000 1.021 264 V CA -0.534 61.705 62.300 -0.102 0.000 0.838 264 V CB 1.038 32.598 31.823 -0.438 0.000 0.999 264 V HN 0.882 nan 8.190 nan 0.000 0.447 265 M N 3.155 122.768 119.600 0.021 0.000 2.159 265 M HA 0.254 4.734 4.480 -0.000 0.000 0.293 265 M C 1.467 177.741 176.300 -0.045 0.000 1.186 265 M CA -0.307 55.003 55.300 0.018 0.000 1.073 265 M CB 0.829 33.431 32.600 0.002 0.000 1.419 265 M HN 0.816 nan 8.290 nan 0.000 0.490 266 D N 0.339 120.612 120.400 -0.212 0.000 2.218 266 D HA -0.188 4.452 4.640 -0.000 0.000 0.204 266 D C 0.579 176.807 176.300 -0.121 0.000 0.976 266 D CA 1.147 54.987 54.000 -0.266 0.000 0.853 266 D CB -0.569 39.843 40.800 -0.646 0.000 0.939 266 D HN 0.590 nan 8.370 nan 0.000 0.481 267 D N 0.155 120.502 120.400 -0.088 0.000 2.427 267 D HA 0.287 4.927 4.640 -0.000 0.000 0.224 267 D C 0.214 176.520 176.300 0.010 0.000 1.157 267 D CA -0.605 53.377 54.000 -0.031 0.000 0.828 267 D CB -0.272 40.512 40.800 -0.026 0.000 0.974 267 D HN 0.240 nan 8.370 nan 0.000 0.498 268 A N 0.249 123.079 122.820 0.017 0.000 2.304 268 A HA 0.303 4.623 4.320 -0.000 0.000 0.271 268 A C 0.109 177.724 177.584 0.051 0.000 1.091 268 A CA -0.598 51.471 52.037 0.054 0.000 0.812 268 A CB 0.520 19.544 19.000 0.040 0.000 1.056 268 A HN 0.135 nan 8.150 nan 0.000 0.489 269 D N 1.763 122.209 120.400 0.077 0.000 2.344 269 D HA 0.157 4.797 4.640 -0.000 0.000 0.253 269 D C 0.870 177.176 176.300 0.009 0.000 1.255 269 D CA 0.062 54.096 54.000 0.055 0.000 0.894 269 D CB 0.295 41.145 40.800 0.083 0.000 1.067 269 D HN 0.437 nan 8.370 nan 0.000 0.492 270 L N 2.950 124.197 121.223 0.040 0.000 2.156 270 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 270 L C 1.808 178.730 176.870 0.086 0.000 1.095 270 L CA 0.607 55.505 54.840 0.096 0.000 0.770 270 L CB -0.080 42.068 42.059 0.149 0.000 0.914 270 L HN 0.342 nan 8.230 nan 0.000 0.439 271 D N 0.155 120.580 120.400 0.042 0.000 2.117 271 D HA -0.141 4.499 4.640 -0.000 0.000 0.198 271 D C 2.184 178.500 176.300 0.026 0.000 0.982 271 D CA 0.979 54.997 54.000 0.030 0.000 0.828 271 D CB 0.039 40.857 40.800 0.029 0.000 0.967 271 D HN 0.141 nan 8.370 nan 0.000 0.464 272 K N 1.024 121.430 120.400 0.011 0.000 2.025 272 K HA -0.015 4.305 4.320 -0.000 0.000 0.207 272 K C 2.109 178.633 176.600 -0.127 0.000 1.049 272 K CA 0.811 57.106 56.287 0.013 0.000 0.933 272 K CB -0.528 32.028 32.500 0.094 0.000 0.714 272 K HN 0.037 nan 8.250 nan 0.000 0.438 273 A N 1.415 123.998 122.820 -0.394 0.000 1.933 273 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 273 A C 2.398 179.942 177.584 -0.066 0.000 1.175 273 A CA 2.131 53.821 52.037 -0.578 0.000 0.628 273 A CB -0.570 18.086 19.000 -0.574 0.000 0.814 273 A HN 0.312 nan 8.150 nan 0.000 0.444 274 A N -0.593 122.302 122.820 0.125 0.000 1.902 274 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 274 A C 2.068 179.736 177.584 0.140 0.000 1.181 274 A CA 1.739 53.868 52.037 0.153 0.000 0.623 274 A CB -0.466 18.544 19.000 0.018 0.000 0.818 274 A HN 0.641 nan 8.150 nan 0.000 0.443 275 E N -0.568 119.680 120.200 0.080 0.000 2.158 275 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 275 E C 1.030 177.705 176.600 0.125 0.000 0.982 275 E CA 0.950 57.401 56.400 0.085 0.000 0.823 275 E CB -0.051 29.738 29.700 0.148 0.000 0.766 275 E HN 0.507 nan 8.360 nan 0.000 0.468 276 D N 0.409 120.872 120.400 0.104 0.000 2.117 276 D HA -0.105 4.535 4.640 -0.000 0.000 0.198 276 D C 1.808 178.113 176.300 0.009 0.000 0.982 276 D CA 1.300 55.358 54.000 0.097 0.000 0.828 276 D CB -0.264 40.630 40.800 0.155 0.000 0.967 276 D HN 0.243 nan 8.370 nan 0.000 0.464 277 A N 0.665 123.469 122.820 -0.027 0.000 1.933 277 A HA -0.136 4.184 4.320 -0.000 0.000 0.218 277 A C 2.194 179.842 177.584 0.107 0.000 1.175 277 A CA 1.047 53.034 52.037 -0.084 0.000 0.628 277 A CB -0.673 18.134 19.000 -0.321 0.000 0.814 277 A HN 0.260 nan 8.150 nan 0.000 0.444 278 L N -1.655 119.713 121.223 0.242 0.000 2.005 278 L HA -0.065 4.275 4.340 -0.000 0.000 0.207 278 L C 2.246 179.094 176.870 -0.038 0.000 1.072 278 L CA 1.904 56.846 54.840 0.171 0.000 0.744 278 L CB -0.518 41.385 42.059 -0.260 0.000 0.895 278 L HN 0.589 nan 8.230 nan 0.000 0.433 279 W N -0.571 120.831 121.300 0.169 0.000 2.476 279 W HA 0.124 4.784 4.660 0.000 0.000 0.281 279 W C 2.402 178.918 176.519 -0.005 0.000 1.230 279 W CA 0.435 57.835 57.345 0.092 0.000 1.287 279 W CB -0.759 28.732 29.460 0.053 0.000 1.108 279 W HN 0.270 nan 8.180 nan 0.000 0.567 280 G N 0.956 109.807 108.800 0.085 0.000 2.469 280 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.219 280 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.219 280 G C 1.462 176.272 174.900 -0.150 0.000 1.150 280 G CA 1.597 46.620 45.100 -0.129 0.000 0.763 280 G HN 0.170 nan 8.290 nan 0.000 0.561 281 R N -0.376 120.004 120.500 -0.200 0.000 2.075 281 R HA 0.236 4.576 4.340 -0.000 0.000 0.220 281 R C 1.768 177.774 176.300 -0.489 0.000 1.118 281 R CA 0.814 56.638 56.100 -0.460 0.000 0.986 281 R CB -0.503 29.319 30.300 -0.797 0.000 0.884 281 R HN 0.345 nan 8.270 nan 0.000 0.439 282 F N 0.764 120.754 119.950 0.066 0.000 2.727 282 F HA 0.487 5.014 4.527 -0.000 0.000 0.302 282 F C 0.749 176.672 175.800 0.206 0.000 1.097 282 F CA -0.181 57.873 58.000 0.090 0.000 1.330 282 F CB 0.072 39.074 39.000 0.004 0.000 1.084 282 F HN 0.022 nan 8.300 nan 0.000 0.578 283 A N 0.683 123.718 122.820 0.360 0.000 2.477 283 A HA 0.159 4.479 4.320 -0.000 0.000 0.246 283 A C 0.991 178.673 177.584 0.164 0.000 1.078 283 A CA -0.051 52.168 52.037 0.304 0.000 0.770 283 A CB -0.335 18.810 19.000 0.241 0.000 1.011 283 A HN 0.492 nan 8.150 nan 0.000 0.494 284 N N -0.454 118.333 118.700 0.144 0.000 2.727 284 N HA -0.209 4.531 4.740 -0.000 0.000 0.249 284 N C 0.322 175.834 175.510 0.004 0.000 1.048 284 N CA 1.211 54.292 53.050 0.053 0.000 0.714 284 N CB -1.965 36.546 38.487 0.040 0.000 0.959 284 N HN 1.592 nan 8.380 nan 0.000 0.544 285 C N -1.445 117.904 119.300 0.083 0.000 4.274 285 C HA -0.110 4.350 4.460 -0.000 0.000 0.297 285 C C 1.719 176.708 174.990 -0.001 0.000 1.446 285 C CA 1.658 60.730 59.018 0.090 0.000 2.016 285 C CB -2.048 25.733 27.740 0.068 0.000 1.273 285 C HN 1.718 nan 8.230 nan 0.000 0.782 286 G N -0.538 108.220 108.800 -0.070 0.000 2.179 286 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.260 286 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.260 286 G C 0.035 174.656 174.900 -0.464 0.000 0.977 286 G CA 0.658 45.636 45.100 -0.204 0.000 0.641 286 G HN 0.912 nan 8.290 nan 0.000 0.533 287 Q N 0.259 119.729 119.800 -0.551 0.000 3.041 287 Q HA 0.503 4.843 4.340 -0.000 0.000 0.372 287 Q C -0.313 175.148 176.000 -0.898 0.000 1.241 287 Q CA -0.117 54.934 55.803 -1.253 0.000 1.010 287 Q CB 1.098 29.465 28.738 -0.617 0.000 1.467 287 Q HN 0.349 nan 8.270 nan 0.000 0.462 288 V N -0.914 118.651 119.914 -0.583 0.000 2.760 288 V HA 0.101 4.221 4.120 -0.000 0.000 0.309 288 V C 0.634 176.815 176.094 0.145 0.000 1.077 288 V CA -0.863 61.438 62.300 0.002 0.000 0.910 288 V CB 1.732 33.628 31.823 0.122 0.000 1.008 288 V HN 0.540 nan 8.190 nan 0.000 0.424 289 C N 1.863 121.368 119.300 0.342 0.000 2.432 289 C HA -0.079 4.381 4.460 -0.000 0.000 0.282 289 C C 2.459 177.550 174.990 0.168 0.000 1.388 289 C CA 1.511 60.701 59.018 0.287 0.000 1.777 289 C CB -1.044 26.818 27.740 0.204 0.000 1.882 289 C HN 1.040 nan 8.230 nan 0.000 0.520 290 T N -3.269 111.390 114.554 0.175 0.000 3.144 290 T HA 0.121 4.471 4.350 -0.000 0.000 0.249 290 T C 0.429 175.222 174.700 0.156 0.000 1.089 290 T CA -0.115 62.094 62.100 0.181 0.000 0.989 290 T CB -0.716 68.280 68.868 0.214 0.000 0.992 290 T HN 0.440 nan 8.240 nan 0.000 0.540 291 C N 2.396 121.737 119.300 0.069 0.000 2.657 291 C HA 0.293 4.753 4.460 -0.000 0.000 0.420 291 C C 1.074 176.054 174.990 -0.016 0.000 1.323 291 C CA -0.953 58.050 59.018 -0.024 0.000 1.894 291 C CB -0.247 27.441 27.740 -0.086 0.000 2.681 291 C HN 0.448 nan 8.230 nan 0.000 0.613 292 V N 5.802 125.644 119.914 -0.119 0.000 2.458 292 V HA 0.008 4.128 4.120 -0.000 0.000 0.287 292 V C 1.167 177.199 176.094 -0.104 0.000 1.009 292 V CA 0.992 63.231 62.300 -0.101 0.000 1.091 292 V CB 0.118 31.821 31.823 -0.200 0.000 0.960 292 V HN 0.890 nan 8.190 nan 0.000 0.476 293 E N 4.712 124.881 120.200 -0.051 0.000 2.473 293 E HA 0.143 4.493 4.350 -0.000 0.000 0.204 293 E C 0.442 176.996 176.600 -0.077 0.000 0.994 293 E CA 0.078 56.442 56.400 -0.060 0.000 0.945 293 E CB 0.678 30.365 29.700 -0.022 0.000 0.990 293 E HN 0.815 nan 8.360 nan 0.000 0.493 294 R N 0.014 120.449 120.500 -0.108 0.000 2.561 294 R HA 0.514 4.854 4.340 -0.000 0.000 0.266 294 R C -1.471 174.643 176.300 -0.311 0.000 1.091 294 R CA -0.815 55.156 56.100 -0.216 0.000 0.927 294 R CB 0.943 31.088 30.300 -0.259 0.000 1.240 294 R HN -0.128 nan 8.270 nan 0.000 0.449 295 L N 2.576 123.568 121.223 -0.384 0.000 2.356 295 L HA 0.524 4.864 4.340 -0.000 0.000 0.277 295 L C -1.655 174.966 176.870 -0.415 0.000 0.996 295 L CA -0.632 54.016 54.840 -0.321 0.000 0.822 295 L CB 1.484 43.418 42.059 -0.209 0.000 1.256 295 L HN 0.638 nan 8.230 nan 0.000 0.413 296 Y N 4.286 124.583 120.300 -0.005 0.000 2.331 296 Y HA 0.663 5.213 4.550 -0.000 0.000 0.338 296 Y C -0.270 175.602 175.900 -0.046 0.000 0.992 296 Y CA -0.847 57.270 58.100 0.029 0.000 1.121 296 Y CB 1.833 40.337 38.460 0.072 0.000 1.184 296 Y HN 0.262 nan 8.280 nan 0.000 0.469 297 V N 3.451 123.452 119.914 0.144 0.000 2.531 297 V HA 0.141 4.261 4.120 -0.000 0.000 0.301 297 V C -0.127 176.055 176.094 0.147 0.000 1.034 297 V CA -1.066 61.263 62.300 0.048 0.000 0.865 297 V CB 1.219 33.032 31.823 -0.016 0.000 0.995 297 V HN 0.734 nan 8.190 nan 0.000 0.424 298 H N 3.329 122.420 119.070 0.035 0.000 3.034 298 H HA 0.061 4.617 4.556 -0.000 0.000 0.324 298 H C 1.338 176.720 175.328 0.091 0.000 1.015 298 H CA 0.732 56.805 56.048 0.042 0.000 1.429 298 H CB 1.639 31.409 29.762 0.012 0.000 1.429 298 H HN 0.869 nan 8.280 nan 0.000 0.585 299 A N 4.092 126.859 122.820 -0.089 0.000 1.927 299 A HA -0.236 4.084 4.320 -0.000 0.000 0.220 299 A C 2.539 180.242 177.584 0.199 0.000 1.185 299 A CA 2.058 54.112 52.037 0.029 0.000 0.639 299 A CB -0.687 18.255 19.000 -0.097 0.000 0.820 299 A HN 0.763 nan 8.150 nan 0.000 0.451 300 S N -1.046 114.870 115.700 0.359 0.000 2.420 300 S HA -0.135 4.335 4.470 -0.000 0.000 0.237 300 S C 1.596 176.314 174.600 0.197 0.000 1.023 300 S CA 1.741 60.100 58.200 0.265 0.000 0.991 300 S CB -0.418 62.920 63.200 0.229 0.000 0.792 300 S HN 1.119 nan 8.310 nan 0.000 0.488 301 V N -2.614 117.436 119.914 0.226 0.000 3.477 301 V HA 0.342 4.462 4.120 -0.000 0.000 0.297 301 V C 1.360 177.594 176.094 0.232 0.000 1.433 301 V CA -0.382 62.026 62.300 0.180 0.000 1.052 301 V CB -1.122 30.775 31.823 0.123 0.000 0.895 301 V HN 0.346 nan 8.190 nan 0.000 0.438 302 Y N 2.709 123.094 120.300 0.141 0.000 2.040 302 Y HA -0.295 4.255 4.550 -0.000 0.000 0.275 302 Y C 2.287 178.298 175.900 0.184 0.000 1.171 302 Y CA 2.729 60.927 58.100 0.162 0.000 1.123 302 Y CB -0.160 38.369 38.460 0.115 0.000 0.963 302 Y HN 0.318 nan 8.280 nan 0.000 0.493 303 D N -0.214 120.332 120.400 0.242 0.000 2.092 303 D HA -0.229 4.411 4.640 -0.000 0.000 0.193 303 D C 2.003 178.330 176.300 0.045 0.000 0.994 303 D CA 2.015 56.090 54.000 0.125 0.000 0.828 303 D CB -0.573 40.315 40.800 0.147 0.000 0.963 303 D HN 0.794 nan 8.370 nan 0.000 0.450 304 E N -0.103 120.143 120.200 0.077 0.000 2.216 304 E HA -0.122 4.228 4.350 -0.000 0.000 0.192 304 E C 2.104 178.730 176.600 0.044 0.000 0.988 304 E CA 0.240 56.669 56.400 0.048 0.000 0.834 304 E CB -0.601 29.134 29.700 0.057 0.000 0.772 304 E HN 0.290 nan 8.360 nan 0.000 0.479 305 F N 1.669 121.589 119.950 -0.049 0.000 2.113 305 F HA -0.123 4.404 4.527 -0.000 0.000 0.297 305 F C 2.196 177.953 175.800 -0.072 0.000 1.103 305 F CA 1.397 59.355 58.000 -0.071 0.000 1.248 305 F CB 0.005 38.947 39.000 -0.097 0.000 0.999 305 F HN -0.072 nan 8.300 nan 0.000 0.475 306 M N 0.651 120.131 119.600 -0.200 0.000 2.159 306 M HA -0.140 4.340 4.480 -0.000 0.000 0.263 306 M C 2.498 178.669 176.300 -0.214 0.000 1.063 306 M CA 1.518 56.663 55.300 -0.259 0.000 1.110 306 M CB -1.984 30.440 32.600 -0.294 0.000 1.374 306 M HN 0.370 nan 8.290 nan 0.000 0.411 307 A N 0.053 122.780 122.820 -0.156 0.000 1.972 307 A HA -0.178 4.142 4.320 -0.000 0.000 0.219 307 A C 2.302 179.793 177.584 -0.154 0.000 1.169 307 A CA 1.620 53.584 52.037 -0.121 0.000 0.635 307 A CB -0.412 18.548 19.000 -0.067 0.000 0.810 307 A HN 0.495 nan 8.150 nan 0.000 0.446 308 K N -2.077 118.198 120.400 -0.208 0.000 2.098 308 K HA 0.089 4.408 4.320 -0.000 0.000 0.203 308 K C 1.757 178.208 176.600 -0.248 0.000 1.051 308 K CA 1.145 57.308 56.287 -0.206 0.000 0.957 308 K CB -0.205 32.180 32.500 -0.191 0.000 0.738 308 K HN 0.448 nan 8.250 nan 0.000 0.447 309 F N 1.528 121.116 119.950 -0.603 0.000 2.118 309 F HA -0.041 4.486 4.527 -0.000 0.000 0.293 309 F C 1.885 177.471 175.800 -0.356 0.000 1.102 309 F CA 0.593 58.240 58.000 -0.590 0.000 1.247 309 F CB -0.368 38.035 39.000 -0.995 0.000 1.017 309 F HN -0.153 nan 8.300 nan 0.000 0.475 310 L N 1.457 122.435 121.223 -0.409 0.000 2.042 310 L HA -0.076 4.264 4.340 -0.000 0.000 0.210 310 L C -0.924 175.715 176.870 -0.385 0.000 1.076 310 L CA 2.089 56.681 54.840 -0.414 0.000 0.749 310 L CB -1.859 40.078 42.059 -0.204 0.000 0.893 310 L HN 0.005 nan 8.230 nan 0.000 0.432 311 P HA -0.129 nan 4.420 nan 0.000 0.220 311 P C 1.998 179.116 177.300 -0.303 0.000 1.148 311 P CA 1.297 64.244 63.100 -0.254 0.000 0.803 311 P CB 0.013 31.602 31.700 -0.184 0.000 0.782 312 L N -1.456 119.538 121.223 -0.381 0.000 2.056 312 L HA -0.133 4.207 4.340 -0.000 0.000 0.207 312 L C 2.340 178.897 176.870 -0.523 0.000 1.078 312 L CA 1.223 55.823 54.840 -0.399 0.000 0.749 312 L CB -1.124 40.708 42.059 -0.378 0.000 0.901 312 L HN -0.137 nan 8.230 nan 0.000 0.433 313 V N -0.153 119.336 119.914 -0.707 0.000 2.261 313 V HA -0.289 3.831 4.120 -0.000 0.000 0.246 313 V C 2.395 178.169 176.094 -0.534 0.000 1.047 313 V CA 1.792 63.633 62.300 -0.765 0.000 1.015 313 V CB -0.608 30.723 31.823 -0.821 0.000 0.642 313 V HN 0.384 nan 8.190 nan 0.000 0.446 314 K N 0.410 120.568 120.400 -0.403 0.000 2.211 314 K HA -0.119 4.201 4.320 -0.000 0.000 0.204 314 K C 1.943 178.403 176.600 -0.233 0.000 1.047 314 K CA 1.351 57.472 56.287 -0.277 0.000 0.935 314 K CB -0.443 31.926 32.500 -0.217 0.000 0.728 314 K HN 0.586 nan 8.250 nan 0.000 0.452 315 G N 0.415 109.070 108.800 -0.242 0.000 2.939 315 G HA2 0.050 4.010 3.960 -0.000 0.000 0.210 315 G HA3 0.050 4.010 3.960 -0.000 0.000 0.210 315 G C 0.323 175.125 174.900 -0.163 0.000 1.160 315 G CA -0.365 44.629 45.100 -0.176 0.000 0.770 315 G HN 0.051 nan 8.290 nan 0.000 0.543 316 L N 1.300 122.386 121.223 -0.229 0.000 2.601 316 L HA 0.089 4.429 4.340 -0.000 0.000 0.277 316 L C 0.602 177.409 176.870 -0.105 0.000 1.219 316 L CA -0.253 54.479 54.840 -0.179 0.000 0.915 316 L CB 0.597 42.475 42.059 -0.301 0.000 1.160 316 L HN 0.001 nan 8.230 nan 0.000 0.494 317 K N 3.721 124.098 120.400 -0.038 0.000 2.316 317 K HA 0.288 4.608 4.320 -0.000 0.000 0.289 317 K C -0.987 175.609 176.600 -0.007 0.000 1.070 317 K CA -0.278 55.991 56.287 -0.030 0.000 0.928 317 K CB 0.831 33.323 32.500 -0.013 0.000 1.039 317 K HN 0.282 nan 8.250 nan 0.000 0.480 318 V N 4.536 124.432 119.914 -0.031 0.000 2.383 318 V HA 0.774 4.894 4.120 -0.000 0.000 0.275 318 V C 0.621 176.656 176.094 -0.099 0.000 1.036 318 V CA 0.104 62.408 62.300 0.007 0.000 0.889 318 V CB 0.722 32.565 31.823 0.034 0.000 0.985 318 V HN 0.961 nan 8.190 nan 0.000 0.459 319 G N 3.080 111.846 108.800 -0.057 0.000 2.548 319 G HA2 0.392 4.352 3.960 -0.000 0.000 0.301 319 G HA3 0.392 4.352 3.960 -0.000 0.000 0.301 319 G C -1.260 173.562 174.900 -0.129 0.000 1.349 319 G CA -0.800 44.151 45.100 -0.249 0.000 0.792 319 G HN 0.535 nan 8.290 nan 0.000 0.481 320 D N 0.851 121.045 120.400 -0.342 0.000 2.772 320 D HA 0.026 4.666 4.640 -0.000 0.000 0.227 320 D C -0.528 175.716 176.300 -0.092 0.000 1.114 320 D CA -0.757 53.010 54.000 -0.389 0.000 0.832 320 D CB 1.268 41.797 40.800 -0.452 0.000 1.154 320 D HN 0.071 nan 8.370 nan 0.000 0.514 321 P HA -0.126 nan 4.420 nan 0.000 0.230 321 P C 1.175 178.481 177.300 0.010 0.000 1.158 321 P CA 0.576 63.683 63.100 0.011 0.000 0.769 321 P CB 0.207 31.911 31.700 0.007 0.000 0.807 322 M N -0.620 118.984 119.600 0.006 0.000 2.476 322 M HA 0.075 4.555 4.480 -0.000 0.000 0.262 322 M C 0.533 176.852 176.300 0.032 0.000 1.111 322 M CA 0.419 55.740 55.300 0.034 0.000 1.127 322 M CB -1.188 31.451 32.600 0.065 0.000 1.376 322 M HN -0.069 nan 8.290 nan 0.000 0.465 323 D N 1.029 121.441 120.400 0.019 0.000 2.371 323 D HA 0.275 4.915 4.640 -0.000 0.000 0.256 323 D C 0.988 177.296 176.300 0.014 0.000 1.193 323 D CA 0.155 54.167 54.000 0.020 0.000 0.881 323 D CB 1.205 42.012 40.800 0.011 0.000 1.143 323 D HN 0.160 nan 8.370 nan 0.000 0.473 324 A N 3.828 126.658 122.820 0.016 0.000 2.125 324 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 324 A C 1.640 179.230 177.584 0.009 0.000 1.156 324 A CA 1.101 53.145 52.037 0.012 0.000 0.671 324 A CB -0.167 18.839 19.000 0.010 0.000 0.794 324 A HN 0.614 nan 8.150 nan 0.000 0.459 325 D N 0.176 120.582 120.400 0.009 0.000 2.234 325 D HA 0.003 4.643 4.640 -0.000 0.000 0.205 325 D C 0.922 177.231 176.300 0.014 0.000 0.962 325 D CA 0.968 54.974 54.000 0.009 0.000 0.855 325 D CB -0.051 40.750 40.800 0.002 0.000 0.951 325 D HN 0.479 nan 8.370 nan 0.000 0.500 326 S N -0.058 115.651 115.700 0.015 0.000 2.564 326 S HA 0.181 4.651 4.470 -0.000 0.000 0.278 326 S C 0.742 175.379 174.600 0.061 0.000 1.333 326 S CA -0.480 57.737 58.200 0.028 0.000 1.048 326 S CB 1.699 64.911 63.200 0.021 0.000 0.900 326 S HN 0.103 nan 8.310 nan 0.000 0.505 327 Q N 0.587 120.444 119.800 0.095 0.000 2.352 327 Q HA 0.377 4.717 4.340 -0.000 0.000 0.212 327 Q C -0.160 175.972 176.000 0.219 0.000 0.888 327 Q CA 0.364 56.272 55.803 0.175 0.000 0.934 327 Q CB 0.454 29.338 28.738 0.245 0.000 1.093 327 Q HN 0.746 nan 8.270 nan 0.000 0.523 328 M N -0.229 119.471 119.600 0.168 0.000 2.284 328 M HA 0.452 4.932 4.480 -0.000 0.000 0.281 328 M C -0.913 175.506 176.300 0.198 0.000 1.083 328 M CA -0.509 54.905 55.300 0.189 0.000 0.965 328 M CB 1.634 34.352 32.600 0.198 0.000 1.717 328 M HN 0.134 nan 8.290 nan 0.000 0.479 329 G N 3.218 112.121 108.800 0.173 0.000 2.574 329 G HA2 0.745 4.705 3.960 -0.000 0.000 0.248 329 G HA3 0.745 4.705 3.960 -0.000 0.000 0.248 329 G C -2.971 171.981 174.900 0.088 0.000 1.422 329 G CA -0.853 44.364 45.100 0.193 0.000 1.051 329 G HN 0.432 nan 8.290 nan 0.000 0.560 330 P HA 0.264 nan 4.420 nan 0.000 0.276 330 P C -0.449 176.674 177.300 -0.295 0.000 1.244 330 P CA -0.593 62.101 63.100 -0.677 0.000 0.801 330 P CB 1.075 32.018 31.700 -1.263 0.000 1.006 331 K N 0.505 120.771 120.400 -0.224 0.000 2.286 331 K HA 0.033 4.353 4.320 -0.000 0.000 0.256 331 K C 1.377 177.829 176.600 -0.247 0.000 0.999 331 K CA -0.069 56.133 56.287 -0.141 0.000 0.908 331 K CB -0.137 32.317 32.500 -0.076 0.000 0.981 331 K HN 0.516 nan 8.250 nan 0.000 0.500 332 C N 1.173 120.299 119.300 -0.290 0.000 2.475 332 C HA -0.057 4.403 4.460 -0.000 0.000 0.279 332 C C 0.639 175.363 174.990 -0.444 0.000 1.322 332 C CA 0.697 59.419 59.018 -0.493 0.000 1.734 332 C CB -0.944 26.108 27.740 -1.146 0.000 2.005 332 C HN 0.939 nan 8.230 nan 0.000 0.495 333 N N -2.686 115.796 118.700 -0.363 0.000 2.934 333 N HA 0.184 4.924 4.740 -0.000 0.000 0.253 333 N C -0.083 175.325 175.510 -0.169 0.000 1.466 333 N CA -0.566 52.328 53.050 -0.261 0.000 0.858 333 N CB 0.213 38.534 38.487 -0.278 0.000 1.459 333 N HN -0.217 nan 8.380 nan 0.000 0.532 334 Q N -0.015 119.713 119.800 -0.120 0.000 2.167 334 Q HA -0.052 4.288 4.340 -0.000 0.000 0.202 334 Q C 1.574 177.540 176.000 -0.057 0.000 0.970 334 Q CA 1.221 56.983 55.803 -0.069 0.000 0.855 334 Q CB -0.235 28.476 28.738 -0.046 0.000 0.911 334 Q HN 0.739 nan 8.270 nan 0.000 0.438 335 R N 0.474 120.932 120.500 -0.071 0.000 2.091 335 R HA -0.150 4.190 4.340 -0.000 0.000 0.238 335 R C 1.725 178.002 176.300 -0.038 0.000 1.136 335 R CA 1.364 57.432 56.100 -0.053 0.000 0.959 335 R CB 0.157 30.422 30.300 -0.058 0.000 0.856 335 R HN 0.163 nan 8.270 nan 0.000 0.437 336 E N 0.486 120.656 120.200 -0.050 0.000 2.107 336 E HA -0.148 4.202 4.350 -0.000 0.000 0.191 336 E C 2.124 178.701 176.600 -0.039 0.000 0.982 336 E CA 0.702 57.096 56.400 -0.010 0.000 0.809 336 E CB -0.056 29.649 29.700 0.007 0.000 0.756 336 E HN 0.377 nan 8.360 nan 0.000 0.459 337 I N 2.184 122.721 120.570 -0.055 0.000 2.118 337 I HA -0.284 3.886 4.170 -0.000 0.000 0.241 337 I C 1.848 177.933 176.117 -0.054 0.000 1.070 337 I CA 1.540 62.806 61.300 -0.056 0.000 1.327 337 I CB -1.015 37.000 38.000 0.026 0.000 1.034 337 I HN 0.047 nan 8.210 nan 0.000 0.405 338 D N 0.460 120.848 120.400 -0.019 0.000 2.123 338 D HA -0.206 4.434 4.640 -0.000 0.000 0.196 338 D C 1.921 178.224 176.300 0.005 0.000 0.992 338 D CA 1.384 55.380 54.000 -0.006 0.000 0.833 338 D CB -0.546 40.244 40.800 -0.017 0.000 0.954 338 D HN 0.324 nan 8.370 nan 0.000 0.455 339 N N 0.786 119.486 118.700 -0.001 0.000 2.120 339 N HA -0.114 4.626 4.740 -0.000 0.000 0.188 339 N C 1.972 177.510 175.510 0.048 0.000 1.024 339 N CA 1.094 54.164 53.050 0.033 0.000 0.852 339 N CB -0.171 38.335 38.487 0.032 0.000 1.003 339 N HN 0.370 nan 8.380 nan 0.000 0.424 340 I N -2.602 117.942 120.570 -0.043 0.000 2.406 340 I HA -0.001 4.169 4.170 -0.000 0.000 0.249 340 I C 1.731 177.783 176.117 -0.107 0.000 1.122 340 I CA 1.411 62.647 61.300 -0.108 0.000 1.431 340 I CB -0.501 37.351 38.000 -0.246 0.000 1.087 340 I HN -0.066 nan 8.210 nan 0.000 0.424 341 D N 1.036 121.369 120.400 -0.111 0.000 2.117 341 D HA -0.296 4.344 4.640 -0.000 0.000 0.197 341 D C 2.271 178.641 176.300 0.116 0.000 0.987 341 D CA 1.470 55.513 54.000 0.073 0.000 0.829 341 D CB -0.352 40.510 40.800 0.104 0.000 0.961 341 D HN 0.491 nan 8.370 nan 0.000 0.460 342 H N 0.151 119.216 119.070 -0.008 0.000 2.319 342 H HA -0.112 4.444 4.556 -0.000 0.000 0.299 342 H C 2.269 177.645 175.328 0.081 0.000 1.092 342 H CA 1.537 57.592 56.048 0.013 0.000 1.302 342 H CB -0.167 29.595 29.762 -0.001 0.000 1.373 342 H HN 0.228 nan 8.280 nan 0.000 0.497 343 I N 0.223 120.819 120.570 0.044 0.000 2.179 343 I HA -0.252 3.918 4.170 -0.000 0.000 0.242 343 I C 2.777 178.907 176.117 0.021 0.000 1.088 343 I CA 0.854 62.160 61.300 0.011 0.000 1.357 343 I CB -0.257 37.787 38.000 0.073 0.000 1.051 343 I HN 0.077 nan 8.210 nan 0.000 0.409 344 V N 0.541 120.508 119.914 0.089 0.000 2.252 344 V HA -0.354 3.766 4.120 -0.000 0.000 0.249 344 V C 2.455 178.607 176.094 0.095 0.000 1.056 344 V CA 2.262 64.637 62.300 0.125 0.000 1.022 344 V CB -1.018 30.941 31.823 0.226 0.000 0.641 344 V HN 0.394 nan 8.190 nan 0.000 0.445 345 H N -0.299 118.762 119.070 -0.015 0.000 2.319 345 H HA -0.163 4.393 4.556 -0.000 0.000 0.299 345 H C 2.310 177.589 175.328 -0.081 0.000 1.092 345 H CA 1.917 57.945 56.048 -0.034 0.000 1.302 345 H CB -0.198 29.547 29.762 -0.027 0.000 1.373 345 H HN 0.381 nan 8.280 nan 0.000 0.497 346 E N 0.307 120.473 120.200 -0.056 0.000 2.153 346 E HA -0.096 4.254 4.350 -0.000 0.000 0.194 346 E C 2.226 178.802 176.600 -0.040 0.000 0.988 346 E CA 1.034 57.372 56.400 -0.104 0.000 0.811 346 E CB -0.292 29.273 29.700 -0.226 0.000 0.746 346 E HN 0.466 nan 8.360 nan 0.000 0.466 347 A N 0.248 123.057 122.820 -0.018 0.000 1.873 347 A HA -0.114 4.206 4.320 -0.000 0.000 0.215 347 A C 2.293 179.874 177.584 -0.004 0.000 1.186 347 A CA 1.376 53.415 52.037 0.002 0.000 0.616 347 A CB -0.686 18.328 19.000 0.024 0.000 0.823 347 A HN 0.304 nan 8.150 nan 0.000 0.442 348 I N -0.148 120.410 120.570 -0.019 0.000 2.194 348 I HA -0.331 3.839 4.170 -0.000 0.000 0.246 348 I C 2.465 178.566 176.117 -0.026 0.000 1.093 348 I CA 1.739 63.018 61.300 -0.035 0.000 1.355 348 I CB -0.287 37.661 38.000 -0.087 0.000 1.046 348 I HN 0.270 nan 8.210 nan 0.000 0.413 349 K N 0.439 120.825 120.400 -0.024 0.000 2.103 349 K HA -0.215 4.105 4.320 -0.000 0.000 0.207 349 K C 1.829 178.424 176.600 -0.008 0.000 1.048 349 K CA 1.439 57.718 56.287 -0.012 0.000 0.930 349 K CB -0.180 32.315 32.500 -0.007 0.000 0.716 349 K HN 0.500 nan 8.250 nan 0.000 0.444 350 Q N -0.994 118.801 119.800 -0.008 0.000 2.365 350 Q HA 0.074 4.414 4.340 -0.000 0.000 0.203 350 Q C 0.682 176.680 176.000 -0.002 0.000 0.929 350 Q CA 0.409 56.209 55.803 -0.005 0.000 0.948 350 Q CB 0.975 29.710 28.738 -0.006 0.000 1.043 350 Q HN 0.525 nan 8.270 nan 0.000 0.505 351 G N -0.063 108.736 108.800 -0.001 0.000 2.227 351 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.168 351 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.168 351 G C 0.135 175.039 174.900 0.008 0.000 1.006 351 G CA -0.281 44.820 45.100 0.002 0.000 0.684 351 G HN 0.433 nan 8.290 nan 0.000 0.489 352 A N 0.328 123.154 122.820 0.009 0.000 2.322 352 A HA 0.775 5.095 4.320 -0.000 0.000 0.269 352 A C 0.475 178.068 177.584 0.016 0.000 1.094 352 A CA 0.918 52.967 52.037 0.020 0.000 0.807 352 A CB 0.568 19.584 19.000 0.027 0.000 1.047 352 A HN 0.763 nan 8.150 nan 0.000 0.487 353 T N 1.002 115.573 114.554 0.029 0.000 2.829 353 T HA 0.448 4.798 4.350 -0.000 0.000 0.280 353 T C -0.266 174.454 174.700 0.033 0.000 0.999 353 T CA -0.494 61.620 62.100 0.023 0.000 0.983 353 T CB 1.424 70.310 68.868 0.030 0.000 0.968 353 T HN 0.408 nan 8.240 nan 0.000 0.446 354 V N 3.074 122.998 119.914 0.018 0.000 2.446 354 V HA 0.292 4.412 4.120 -0.000 0.000 0.276 354 V C 1.283 177.390 176.094 0.021 0.000 1.030 354 V CA 0.097 62.411 62.300 0.024 0.000 1.033 354 V CB 0.261 32.088 31.823 0.006 0.000 0.993 354 V HN 1.176 nan 8.190 nan 0.000 0.477 355 A N 4.326 127.166 122.820 0.033 0.000 1.943 355 A HA 0.252 4.572 4.320 -0.000 0.000 0.213 355 A C 1.123 178.698 177.584 -0.015 0.000 1.181 355 A CA 1.236 53.284 52.037 0.018 0.000 0.653 355 A CB 0.275 19.299 19.000 0.040 0.000 0.833 355 A HN 0.712 nan 8.150 nan 0.000 0.451 356 T N -3.897 110.648 114.554 -0.016 0.000 2.802 356 T HA 0.527 4.877 4.350 -0.000 0.000 0.311 356 T C 0.365 175.050 174.700 -0.024 0.000 1.405 356 T CA 0.605 62.676 62.100 -0.048 0.000 1.016 356 T CB 0.809 69.616 68.868 -0.102 0.000 1.352 356 T HN 1.963 nan 8.240 nan 0.000 0.498 357 G N 1.555 110.324 108.800 -0.051 0.000 2.550 357 G HA2 0.214 4.174 3.960 -0.000 0.000 0.277 357 G HA3 0.214 4.174 3.960 -0.000 0.000 0.277 357 G C 1.173 176.057 174.900 -0.027 0.000 1.190 357 G CA 1.291 46.361 45.100 -0.049 0.000 0.971 357 G HN 2.472 nan 8.290 nan 0.000 0.559 358 G N -1.130 107.697 108.800 0.046 0.000 2.159 358 G HA2 0.092 4.052 3.960 -0.000 0.000 0.256 358 G HA3 0.092 4.052 3.960 -0.000 0.000 0.256 358 G C 0.211 175.156 174.900 0.076 0.000 0.977 358 G CA 2.087 47.262 45.100 0.125 0.000 0.652 358 G HN 2.140 nan 8.290 nan 0.000 0.531 359 K N -1.188 119.059 120.400 -0.254 0.000 2.555 359 K HA 0.652 4.972 4.320 -0.000 0.000 0.279 359 K C -0.420 175.721 176.600 -0.765 0.000 0.986 359 K CA -0.618 55.490 56.287 -0.298 0.000 0.880 359 K CB 0.765 33.205 32.500 -0.100 0.000 1.474 359 K HN -0.002 nan 8.250 nan 0.000 0.433 360 T N 1.163 115.500 114.554 -0.361 0.000 2.933 360 T HA 0.197 4.547 4.350 -0.000 0.000 0.306 360 T C -0.065 174.558 174.700 -0.129 0.000 1.045 360 T CA 0.455 62.459 62.100 -0.161 0.000 1.143 360 T CB 0.251 69.168 68.868 0.083 0.000 1.003 360 T HN 0.593 nan 8.240 nan 0.000 0.540 361 A N 3.461 126.269 122.820 -0.020 0.000 2.304 361 A HA 0.617 4.937 4.320 -0.000 0.000 0.301 361 A C 0.587 178.176 177.584 0.008 0.000 1.132 361 A CA -0.815 51.217 52.037 -0.009 0.000 0.819 361 A CB 0.492 19.521 19.000 0.049 0.000 1.094 361 A HN 0.816 nan 8.150 nan 0.000 0.492 362 T N 0.054 114.563 114.554 -0.075 0.000 2.767 362 T HA 0.560 4.910 4.350 -0.000 0.000 0.284 362 T C -0.501 174.049 174.700 -0.250 0.000 0.973 362 T CA -0.576 61.456 62.100 -0.113 0.000 0.996 362 T CB 0.982 69.809 68.868 -0.068 0.000 0.927 362 T HN 0.437 nan 8.240 nan 0.000 0.456 363 V N 3.180 122.847 119.914 -0.412 0.000 2.376 363 V HA 0.280 4.400 4.120 -0.000 0.000 0.287 363 V C 0.355 176.326 176.094 -0.205 0.000 1.015 363 V CA -0.955 61.042 62.300 -0.505 0.000 0.834 363 V CB 1.331 32.408 31.823 -1.243 0.000 1.001 363 V HN 0.872 nan 8.190 nan 0.000 0.428 364 E N 2.907 123.042 120.200 -0.109 0.000 2.529 364 E HA 0.126 4.476 4.350 -0.000 0.000 0.259 364 E C 1.362 177.959 176.600 -0.005 0.000 0.966 364 E CA 1.415 57.788 56.400 -0.045 0.000 0.937 364 E CB 0.867 30.541 29.700 -0.044 0.000 0.923 364 E HN 1.116 nan 8.360 nan 0.000 0.468 365 G N 3.629 112.367 108.800 -0.104 0.000 2.184 365 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.264 365 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.264 365 G C 0.311 174.832 174.900 -0.633 0.000 0.975 365 G CA 0.279 45.182 45.100 -0.329 0.000 0.642 365 G HN 0.453 nan 8.290 nan 0.000 0.536 366 F N 0.260 120.219 119.950 0.016 0.000 2.677 366 F HA 0.424 4.951 4.527 -0.000 0.000 0.388 366 F C 1.170 177.117 175.800 0.245 0.000 1.400 366 F CA -0.334 57.763 58.000 0.161 0.000 1.162 366 F CB 0.789 39.942 39.000 0.254 0.000 1.135 366 F HN 0.041 nan 8.300 nan 0.000 0.516 367 E N 0.206 120.532 120.200 0.209 0.000 2.268 367 E HA -0.052 4.298 4.350 -0.000 0.000 0.195 367 E C 2.426 179.155 176.600 0.216 0.000 0.995 367 E CA 1.024 57.536 56.400 0.186 0.000 0.836 367 E CB -0.162 29.585 29.700 0.080 0.000 0.763 367 E HN 0.482 nan 8.360 nan 0.000 0.491 368 G N 0.434 109.353 108.800 0.200 0.000 2.534 368 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.217 368 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.217 368 G C 0.851 175.842 174.900 0.152 0.000 1.128 368 G CA 0.421 45.610 45.100 0.147 0.000 0.784 368 G HN 0.341 nan 8.290 nan 0.000 0.542 369 G N -1.127 107.839 108.800 0.276 0.000 2.588 369 G HA2 0.361 4.321 3.960 -0.000 0.000 0.281 369 G HA3 0.361 4.321 3.960 -0.000 0.000 0.281 369 G C -0.545 174.258 174.900 -0.160 0.000 1.236 369 G CA -0.319 44.801 45.100 0.034 0.000 0.969 369 G HN 0.191 nan 8.290 nan 0.000 0.504 370 C N 0.404 119.383 119.300 -0.535 0.000 2.242 370 C HA 0.449 4.909 4.460 -0.000 0.000 0.317 370 C C -0.782 173.949 174.990 -0.432 0.000 1.087 370 C CA -0.943 57.872 59.018 -0.338 0.000 1.535 370 C CB -1.857 25.729 27.740 -0.257 0.000 1.893 370 C HN 0.531 nan 8.230 nan 0.000 0.426 371 W N 1.345 122.699 121.300 0.090 0.000 2.573 371 W HA 0.613 5.273 4.660 0.000 0.000 0.326 371 W C -0.296 176.328 176.519 0.176 0.000 1.049 371 W CA -0.674 56.731 57.345 0.099 0.000 1.220 371 W CB 0.917 30.410 29.460 0.055 0.000 1.373 371 W HN 0.505 nan 8.180 nan 0.000 0.507 372 Y N 1.343 121.798 120.300 0.258 0.000 2.492 372 Y HA 0.279 4.829 4.550 0.000 0.000 0.346 372 Y C 0.004 175.997 175.900 0.154 0.000 0.997 372 Y CA -1.211 56.993 58.100 0.174 0.000 1.025 372 Y CB 1.716 40.254 38.460 0.129 0.000 1.263 372 Y HN 0.395 nan 8.280 nan 0.000 0.454 373 E N 6.164 126.243 120.200 -0.201 0.000 2.360 373 E HA 0.175 4.525 4.350 -0.000 0.000 0.269 373 E C -2.478 174.169 176.600 0.078 0.000 1.022 373 E CA -1.810 54.537 56.400 -0.088 0.000 0.887 373 E CB 0.466 30.048 29.700 -0.197 0.000 0.990 373 E HN 0.290 nan 8.360 nan 0.000 0.426 374 P HA -0.051 nan 4.420 nan 0.000 0.261 374 P C -1.032 176.300 177.300 0.053 0.000 1.183 374 P CA 0.514 63.612 63.100 -0.003 0.000 0.761 374 P CB 0.513 31.890 31.700 -0.539 0.000 0.785 375 T N 3.095 117.832 114.554 0.305 0.000 2.841 375 T HA 0.416 4.766 4.350 -0.000 0.000 0.285 375 T C -0.495 174.365 174.700 0.266 0.000 0.991 375 T CA -0.410 61.833 62.100 0.238 0.000 0.966 375 T CB 0.970 70.021 68.868 0.305 0.000 0.962 375 T HN -0.059 nan 8.240 nan 0.000 0.438 376 V N 4.952 124.966 119.914 0.166 0.000 2.409 376 V HA 0.459 4.579 4.120 -0.000 0.000 0.291 376 V C -0.748 175.423 176.094 0.129 0.000 1.020 376 V CA -0.961 61.445 62.300 0.177 0.000 0.848 376 V CB 1.609 33.522 31.823 0.151 0.000 0.990 376 V HN 0.626 nan 8.190 nan 0.000 0.430 377 L N 6.183 127.483 121.223 0.129 0.000 2.295 377 L HA 0.683 5.023 4.340 -0.000 0.000 0.285 377 L C 0.158 177.098 176.870 0.116 0.000 1.035 377 L CA 0.068 54.968 54.840 0.101 0.000 0.806 377 L CB 1.533 43.641 42.059 0.081 0.000 1.214 377 L HN 0.638 nan 8.230 nan 0.000 0.426 378 V N -0.633 119.348 119.914 0.113 0.000 3.181 378 V HA 0.640 4.760 4.120 -0.000 0.000 0.314 378 V C -0.090 176.066 176.094 0.102 0.000 1.173 378 V CA -0.956 61.432 62.300 0.147 0.000 1.052 378 V CB 1.800 33.739 31.823 0.193 0.000 1.123 378 V HN 0.800 nan 8.190 nan 0.000 0.454 379 D N -0.317 120.142 120.400 0.099 0.000 2.686 379 D HA -0.135 4.505 4.640 -0.000 0.000 0.235 379 D C -0.193 176.131 176.300 0.039 0.000 1.160 379 D CA 0.893 54.923 54.000 0.049 0.000 0.645 379 D CB -1.009 39.814 40.800 0.038 0.000 1.039 379 D HN 0.587 nan 8.370 nan 0.000 0.423 380 V N 0.773 120.716 119.914 0.048 0.000 2.394 380 V HA 0.221 4.341 4.120 -0.000 0.000 0.282 380 V C 0.886 176.995 176.094 0.025 0.000 1.031 380 V CA -0.633 61.688 62.300 0.036 0.000 0.881 380 V CB 1.823 33.669 31.823 0.040 0.000 0.982 380 V HN 0.102 nan 8.190 nan 0.000 0.451 381 K N 2.962 123.367 120.400 0.009 0.000 2.095 381 K HA 0.481 4.801 4.320 -0.000 0.000 0.252 381 K C 0.794 177.365 176.600 -0.049 0.000 0.977 381 K CA -0.741 55.538 56.287 -0.013 0.000 0.900 381 K CB 1.319 33.809 32.500 -0.016 0.000 1.060 381 K HN 0.310 nan 8.250 nan 0.000 0.449 382 Q N 1.241 120.938 119.800 -0.171 0.000 2.242 382 Q HA -0.238 4.102 4.340 -0.000 0.000 0.211 382 Q C 0.884 176.875 176.000 -0.015 0.000 0.992 382 Q CA 2.536 58.168 55.803 -0.285 0.000 0.889 382 Q CB -0.348 27.830 28.738 -0.935 0.000 0.913 382 Q HN 0.860 nan 8.270 nan 0.000 0.422 383 D N -1.328 119.054 120.400 -0.030 0.000 2.339 383 D HA -0.024 4.616 4.640 -0.000 0.000 0.217 383 D C 0.005 176.281 176.300 -0.041 0.000 1.050 383 D CA -0.192 53.784 54.000 -0.040 0.000 0.856 383 D CB -0.708 40.040 40.800 -0.087 0.000 0.922 383 D HN 0.161 nan 8.370 nan 0.000 0.518 384 N N 1.464 120.182 118.700 0.029 0.000 2.454 384 N HA -0.084 4.656 4.740 -0.000 0.000 0.254 384 N C 1.368 176.930 175.510 0.087 0.000 1.228 384 N CA -0.248 52.824 53.050 0.037 0.000 0.900 384 N CB 0.855 39.364 38.487 0.038 0.000 1.089 384 N HN 0.008 nan 8.380 nan 0.000 0.449 385 I N 3.703 124.302 120.570 0.047 0.000 2.185 385 I HA -0.235 3.935 4.170 -0.000 0.000 0.246 385 I C 1.699 177.889 176.117 0.121 0.000 1.088 385 I CA 1.474 62.817 61.300 0.071 0.000 1.347 385 I CB -0.076 37.948 38.000 0.040 0.000 1.041 385 I HN 0.387 nan 8.210 nan 0.000 0.415 386 V N 0.573 120.542 119.914 0.091 0.000 3.444 386 V HA -0.081 4.039 4.120 -0.000 0.000 0.271 386 V C 1.881 178.018 176.094 0.072 0.000 1.188 386 V CA 0.807 63.154 62.300 0.079 0.000 1.168 386 V CB 0.159 32.015 31.823 0.056 0.000 0.810 386 V HN 0.329 nan 8.190 nan 0.000 0.500 387 V N -0.726 119.254 119.914 0.109 0.000 3.660 387 V HA 0.117 4.237 4.120 -0.000 0.000 0.276 387 V C 1.782 177.836 176.094 -0.066 0.000 1.317 387 V CA 0.849 63.166 62.300 0.028 0.000 1.097 387 V CB -0.430 31.412 31.823 0.031 0.000 0.863 387 V HN 0.665 nan 8.190 nan 0.000 0.438 388 H N -0.329 118.783 119.070 0.069 0.000 2.521 388 H HA 0.258 4.814 4.556 -0.000 0.000 0.267 388 H C 0.850 176.270 175.328 0.153 0.000 0.963 388 H CA 0.004 56.113 56.048 0.102 0.000 1.175 388 H CB 1.237 31.037 29.762 0.062 0.000 1.450 388 H HN 0.392 nan 8.280 nan 0.000 0.472 389 E N 2.556 122.901 120.200 0.242 0.000 2.194 389 E HA 0.056 4.406 4.350 -0.000 0.000 0.284 389 E C -0.302 176.391 176.600 0.155 0.000 1.035 389 E CA -0.230 56.292 56.400 0.204 0.000 0.836 389 E CB 1.030 30.825 29.700 0.158 0.000 1.070 389 E HN 0.218 nan 8.360 nan 0.000 0.401 390 E N 2.725 123.014 120.200 0.147 0.000 2.452 390 E HA -0.071 4.279 4.350 -0.000 0.000 0.261 390 E C 0.345 176.998 176.600 0.087 0.000 0.987 390 E CA 0.661 57.092 56.400 0.051 0.000 0.926 390 E CB 0.715 30.363 29.700 -0.086 0.000 0.934 390 E HN 0.736 nan 8.360 nan 0.000 0.452 391 T N 1.864 116.475 114.554 0.095 0.000 3.018 391 T HA 0.025 4.375 4.350 -0.000 0.000 0.246 391 T C 0.981 175.801 174.700 0.200 0.000 1.026 391 T CA 0.025 62.190 62.100 0.109 0.000 1.081 391 T CB -0.224 68.679 68.868 0.059 0.000 0.970 391 T HN 0.679 nan 8.240 nan 0.000 0.475 392 F N 1.856 121.795 119.950 -0.018 0.000 3.090 392 F HA -0.134 4.393 4.527 -0.000 0.000 0.282 392 F C 0.518 176.339 175.800 0.035 0.000 0.923 392 F CA 0.403 58.401 58.000 -0.003 0.000 0.977 392 F CB -1.016 37.995 39.000 0.019 0.000 0.954 392 F HN 0.721 nan 8.300 nan 0.000 0.695 393 G N -0.382 108.419 108.800 0.002 0.000 2.606 393 G HA2 0.513 4.473 3.960 -0.000 0.000 0.300 393 G HA3 0.513 4.473 3.960 -0.000 0.000 0.300 393 G C -3.093 171.801 174.900 -0.009 0.000 1.360 393 G CA -0.462 44.630 45.100 -0.014 0.000 0.783 393 G HN -0.204 nan 8.290 nan 0.000 0.484 394 P HA 0.310 nan 4.420 nan 0.000 0.225 394 P C -0.772 176.686 177.300 0.264 0.000 1.768 394 P CA 0.052 63.285 63.100 0.223 0.000 0.943 394 P CB -0.365 31.621 31.700 0.476 0.000 1.936 395 I N 1.678 122.295 120.570 0.078 0.000 2.410 395 I HA 0.286 4.456 4.170 -0.000 0.000 0.286 395 I C -0.404 175.728 176.117 0.025 0.000 1.009 395 I CA -0.736 60.629 61.300 0.107 0.000 1.111 395 I CB 2.228 40.281 38.000 0.087 0.000 1.262 395 I HN -0.101 nan 8.210 nan 0.000 0.443 396 L N 10.223 131.497 121.223 0.085 0.000 2.415 396 L HA 0.699 5.039 4.340 -0.000 0.000 0.268 396 L C -2.601 174.322 176.870 0.088 0.000 0.984 396 L CA -1.771 53.101 54.840 0.053 0.000 0.853 396 L CB 1.509 43.613 42.059 0.075 0.000 1.215 396 L HN 0.242 nan 8.230 nan 0.000 0.419 397 P HA 0.342 nan 4.420 nan 0.000 0.284 397 P C -0.848 176.449 177.300 -0.006 0.000 1.253 397 P CA -0.057 63.058 63.100 0.024 0.000 0.800 397 P CB 1.358 33.052 31.700 -0.010 0.000 0.961 398 I N 2.758 123.362 120.570 0.057 0.000 2.410 398 I HA 0.286 4.456 4.170 -0.000 0.000 0.286 398 I C -0.253 175.931 176.117 0.111 0.000 1.009 398 I CA -0.985 60.364 61.300 0.081 0.000 1.111 398 I CB 1.981 40.103 38.000 0.203 0.000 1.262 398 I HN -0.020 nan 8.210 nan 0.000 0.443 399 V N 6.246 126.188 119.914 0.047 0.000 2.513 399 V HA 0.347 4.467 4.120 -0.000 0.000 0.299 399 V C 0.106 176.353 176.094 0.256 0.000 1.035 399 V CA -0.925 61.466 62.300 0.152 0.000 0.889 399 V CB 1.995 33.937 31.823 0.198 0.000 0.988 399 V HN 0.597 nan 8.190 nan 0.000 0.440 400 K N 2.567 123.064 120.400 0.162 0.000 2.249 400 K HA 0.583 4.903 4.320 -0.000 0.000 0.280 400 K C -0.490 176.194 176.600 0.140 0.000 1.033 400 K CA -0.237 56.098 56.287 0.080 0.000 0.946 400 K CB 1.455 33.866 32.500 -0.148 0.000 1.005 400 K HN 0.658 nan 8.250 nan 0.000 0.469 401 V N -0.379 119.553 119.914 0.030 0.000 2.864 401 V HA 0.428 4.548 4.120 -0.000 0.000 0.314 401 V C 0.484 176.375 176.094 -0.338 0.000 1.073 401 V CA -0.471 61.753 62.300 -0.128 0.000 0.956 401 V CB 1.893 33.617 31.823 -0.166 0.000 1.023 401 V HN 0.828 nan 8.190 nan 0.000 0.435 402 S N 0.653 116.144 115.700 -0.348 0.000 2.511 402 S HA 0.394 4.864 4.470 -0.000 0.000 0.214 402 S C 0.628 175.037 174.600 -0.318 0.000 0.997 402 S CA 0.382 58.346 58.200 -0.393 0.000 0.908 402 S CB -0.416 62.661 63.200 -0.204 0.000 0.803 402 S HN 1.999 nan 8.310 nan 0.000 0.504 403 S N -0.578 114.989 115.700 -0.221 0.000 2.595 403 S HA 0.521 4.991 4.470 -0.000 0.000 0.270 403 S C 0.274 174.838 174.600 -0.059 0.000 1.145 403 S CA -0.565 57.614 58.200 -0.034 0.000 0.825 403 S CB 0.846 64.011 63.200 -0.057 0.000 1.107 403 S HN -0.020 nan 8.310 nan 0.000 0.461 404 M N 1.366 120.960 119.600 -0.010 0.000 2.108 404 M HA 0.043 4.523 4.480 -0.000 0.000 0.261 404 M C 1.609 177.842 176.300 -0.112 0.000 1.066 404 M CA 2.081 57.350 55.300 -0.052 0.000 1.107 404 M CB -1.397 31.183 32.600 -0.034 0.000 1.356 404 M HN 0.865 nan 8.290 nan 0.000 0.406 405 E N -0.246 119.889 120.200 -0.108 0.000 2.070 405 E HA -0.265 4.085 4.350 -0.000 0.000 0.197 405 E C 2.074 178.551 176.600 -0.205 0.000 1.004 405 E CA 1.840 58.164 56.400 -0.126 0.000 0.805 405 E CB -0.488 29.154 29.700 -0.097 0.000 0.744 405 E HN 0.714 nan 8.360 nan 0.000 0.451 406 Q N -0.324 119.302 119.800 -0.289 0.000 2.123 406 Q HA -0.066 4.274 4.340 -0.000 0.000 0.199 406 Q C 2.097 177.653 176.000 -0.740 0.000 0.966 406 Q CA 1.141 56.621 55.803 -0.538 0.000 0.845 406 Q CB -0.121 28.253 28.738 -0.606 0.000 0.907 406 Q HN 0.291 nan 8.270 nan 0.000 0.439 407 A N 1.272 123.789 122.820 -0.505 0.000 1.892 407 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 407 A C 1.918 179.287 177.584 -0.360 0.000 1.188 407 A CA 1.478 53.245 52.037 -0.451 0.000 0.631 407 A CB -0.652 18.218 19.000 -0.215 0.000 0.822 407 A HN 0.447 nan 8.150 nan 0.000 0.447 408 I N 0.054 120.484 120.570 -0.234 0.000 2.179 408 I HA -0.229 3.941 4.170 -0.000 0.000 0.242 408 I C 2.450 178.496 176.117 -0.118 0.000 1.088 408 I CA 1.801 63.013 61.300 -0.147 0.000 1.357 408 I CB -1.601 36.336 38.000 -0.105 0.000 1.051 408 I HN 0.603 nan 8.210 nan 0.000 0.409 409 E N 0.758 120.877 120.200 -0.135 0.000 2.070 409 E HA -0.254 4.096 4.350 -0.000 0.000 0.197 409 E C 2.345 179.009 176.600 0.106 0.000 1.004 409 E CA 1.538 57.923 56.400 -0.026 0.000 0.805 409 E CB -0.094 29.582 29.700 -0.040 0.000 0.744 409 E HN 0.273 nan 8.360 nan 0.000 0.451 410 F N 0.941 120.757 119.950 -0.224 0.000 2.146 410 F HA -0.159 4.368 4.527 -0.000 0.000 0.298 410 F C 2.725 178.386 175.800 -0.231 0.000 1.096 410 F CA 0.504 58.337 58.000 -0.278 0.000 1.275 410 F CB -1.294 37.317 39.000 -0.648 0.000 1.008 410 F HN 0.237 nan 8.300 nan 0.000 0.480 411 C N 0.434 119.680 119.300 -0.089 0.000 2.413 411 C HA -0.204 4.256 4.460 -0.000 0.000 0.276 411 C C 2.484 177.500 174.990 0.042 0.000 1.248 411 C CA 1.217 60.245 59.018 0.016 0.000 1.742 411 C CB -1.157 26.571 27.740 -0.021 0.000 2.017 411 C HN 0.425 nan 8.230 nan 0.000 0.481 412 N N 0.530 119.245 118.700 0.025 0.000 2.494 412 N HA -0.028 4.712 4.740 -0.000 0.000 0.182 412 N C 0.308 175.852 175.510 0.056 0.000 1.076 412 N CA 0.728 53.800 53.050 0.037 0.000 0.908 412 N CB -0.454 38.050 38.487 0.029 0.000 0.967 412 N HN 0.552 nan 8.380 nan 0.000 0.449 413 D N 0.610 121.050 120.400 0.066 0.000 2.498 413 D HA 0.175 4.815 4.640 -0.000 0.000 0.229 413 D C -0.885 175.436 176.300 0.034 0.000 1.188 413 D CA 0.131 54.182 54.000 0.084 0.000 1.028 413 D CB -0.182 40.687 40.800 0.116 0.000 1.087 413 D HN -0.124 nan 8.370 nan 0.000 0.510 414 S N 1.936 117.671 115.700 0.057 0.000 2.565 414 S HA 0.230 4.700 4.470 -0.000 0.000 0.274 414 S C 0.667 175.271 174.600 0.006 0.000 1.144 414 S CA -0.787 57.439 58.200 0.044 0.000 0.849 414 S CB 0.360 63.603 63.200 0.072 0.000 1.103 414 S HN 0.316 nan 8.310 nan 0.000 0.455 415 I N 0.623 121.126 120.570 -0.112 0.000 3.419 415 I HA 0.375 4.545 4.170 -0.000 0.000 0.286 415 I C -0.088 175.800 176.117 -0.381 0.000 1.268 415 I CA 0.055 61.187 61.300 -0.279 0.000 1.414 415 I CB -0.250 37.506 38.000 -0.407 0.000 1.074 415 I HN 0.428 nan 8.210 nan 0.000 0.457 416 Y N 1.463 121.790 120.300 0.044 0.000 2.432 416 Y HA 0.708 5.258 4.550 -0.000 0.000 0.322 416 Y C 0.962 176.882 175.900 0.033 0.000 1.246 416 Y CA -0.785 57.337 58.100 0.036 0.000 1.268 416 Y CB 1.575 40.051 38.460 0.026 0.000 1.276 416 Y HN -0.054 nan 8.280 nan 0.000 0.499 417 G N 1.058 109.978 108.800 0.200 0.000 4.775 417 G HA2 0.246 4.206 3.960 -0.000 0.000 0.222 417 G HA3 0.246 4.206 3.960 -0.000 0.000 0.222 417 G C -0.484 174.384 174.900 -0.054 0.000 0.974 417 G CA -0.190 44.948 45.100 0.063 0.000 0.614 417 G HN 0.540 nan 8.290 nan 0.000 0.427 418 L N 0.048 121.242 121.223 -0.048 0.000 2.189 418 L HA 0.600 4.940 4.340 -0.000 0.000 0.199 418 L C 0.656 177.426 176.870 -0.166 0.000 1.074 418 L CA 1.244 56.009 54.840 -0.125 0.000 0.783 418 L CB 0.322 42.332 42.059 -0.083 0.000 0.955 418 L HN 0.145 nan 8.230 nan 0.000 0.460 419 S N -1.016 114.614 115.700 -0.117 0.000 2.536 419 S HA 0.851 5.321 4.470 -0.000 0.000 0.271 419 S C -1.146 173.320 174.600 -0.224 0.000 1.134 419 S CA -0.245 57.867 58.200 -0.147 0.000 0.897 419 S CB 1.877 65.030 63.200 -0.078 0.000 1.094 419 S HN 0.473 nan 8.310 nan 0.000 0.473 420 A N 1.874 124.497 122.820 -0.329 0.000 2.486 420 A HA 0.837 5.157 4.320 -0.000 0.000 0.300 420 A C -2.165 175.214 177.584 -0.341 0.000 1.048 420 A CA -0.626 51.263 52.037 -0.247 0.000 0.696 420 A CB 1.010 19.945 19.000 -0.109 0.000 1.278 420 A HN 0.701 nan 8.150 nan 0.000 0.405 421 Y N 0.496 120.846 120.300 0.083 0.000 2.376 421 Y HA 0.573 5.123 4.550 -0.000 0.000 0.340 421 Y C -0.195 175.735 175.900 0.050 0.000 0.965 421 Y CA -0.841 57.304 58.100 0.075 0.000 1.078 421 Y CB 2.400 40.876 38.460 0.026 0.000 1.193 421 Y HN 0.393 nan 8.280 nan 0.000 0.452 422 V N 3.752 123.745 119.914 0.132 0.000 2.483 422 V HA 0.283 4.403 4.120 -0.000 0.000 0.297 422 V C -0.726 175.366 176.094 -0.004 0.000 1.027 422 V CA -0.831 61.510 62.300 0.069 0.000 0.855 422 V CB 1.222 33.057 31.823 0.021 0.000 0.995 422 V HN 0.728 nan 8.190 nan 0.000 0.424 423 H N 2.980 122.079 119.070 0.049 0.000 2.581 423 H HA 0.677 5.233 4.556 0.000 0.000 0.308 423 H C -0.242 175.094 175.328 0.013 0.000 1.040 423 H CA 0.201 56.268 56.048 0.032 0.000 1.231 423 H CB 1.855 31.623 29.762 0.010 0.000 1.396 423 H HN 0.707 nan 8.280 nan 0.000 0.467 424 T N 2.407 117.023 114.554 0.104 0.000 2.893 424 T HA 0.085 4.435 4.350 -0.000 0.000 0.337 424 T C 0.234 174.969 174.700 0.058 0.000 1.587 424 T CA -0.519 61.620 62.100 0.065 0.000 1.066 424 T CB 1.586 70.473 68.868 0.032 0.000 1.414 424 T HN 0.648 nan 8.240 nan 0.000 0.488 425 Q N 0.897 120.728 119.800 0.052 0.000 2.356 425 Q HA 0.233 4.573 4.340 -0.000 0.000 0.205 425 Q C 0.491 176.531 176.000 0.068 0.000 0.901 425 Q CA -0.079 55.758 55.803 0.057 0.000 0.938 425 Q CB 0.655 29.421 28.738 0.047 0.000 1.081 425 Q HN 0.512 nan 8.270 nan 0.000 0.517 426 S N -0.324 115.411 115.700 0.058 0.000 2.489 426 S HA 0.107 4.577 4.470 -0.000 0.000 0.277 426 S C 0.456 175.121 174.600 0.110 0.000 1.230 426 S CA -0.602 57.642 58.200 0.074 0.000 1.053 426 S CB 0.404 63.623 63.200 0.032 0.000 0.955 426 S HN 0.392 nan 8.310 nan 0.000 0.488 427 F N 5.244 125.189 119.950 -0.008 0.000 2.186 427 F HA 0.044 4.570 4.527 -0.000 0.000 0.299 427 F C 2.183 177.977 175.800 -0.011 0.000 1.090 427 F CA 1.523 59.518 58.000 -0.009 0.000 1.307 427 F CB -0.443 38.553 39.000 -0.007 0.000 1.019 427 F HN 0.756 nan 8.300 nan 0.000 0.489 428 A N 0.616 123.394 122.820 -0.070 0.000 1.902 428 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 428 A C 1.952 179.449 177.584 -0.144 0.000 1.181 428 A CA 2.001 53.948 52.037 -0.151 0.000 0.623 428 A CB -0.890 18.089 19.000 -0.035 0.000 0.818 428 A HN 0.496 nan 8.150 nan 0.000 0.443 429 N N -0.023 118.629 118.700 -0.081 0.000 2.171 429 N HA -0.034 4.706 4.740 -0.000 0.000 0.184 429 N C 1.619 177.076 175.510 -0.088 0.000 1.021 429 N CA 1.346 54.356 53.050 -0.066 0.000 0.854 429 N CB -0.419 38.050 38.487 -0.030 0.000 0.994 429 N HN 0.559 nan 8.380 nan 0.000 0.426 430 I N 1.187 121.699 120.570 -0.096 0.000 2.179 430 I HA -0.249 3.921 4.170 -0.000 0.000 0.242 430 I C 1.651 177.675 176.117 -0.154 0.000 1.088 430 I CA 0.893 62.134 61.300 -0.098 0.000 1.357 430 I CB -0.249 37.721 38.000 -0.050 0.000 1.051 430 I HN 0.088 nan 8.210 nan 0.000 0.409 431 N N 0.477 119.018 118.700 -0.264 0.000 2.166 431 N HA -0.240 4.500 4.740 -0.000 0.000 0.186 431 N C 1.795 177.203 175.510 -0.170 0.000 1.019 431 N CA 1.199 54.087 53.050 -0.271 0.000 0.856 431 N CB -0.348 37.877 38.487 -0.437 0.000 0.993 431 N HN 0.469 nan 8.380 nan 0.000 0.426 432 Q N 0.375 120.086 119.800 -0.148 0.000 2.046 432 Q HA -0.036 4.304 4.340 -0.000 0.000 0.200 432 Q C 1.927 177.874 176.000 -0.089 0.000 0.975 432 Q CA 1.412 57.152 55.803 -0.104 0.000 0.836 432 Q CB -0.066 28.617 28.738 -0.090 0.000 0.896 432 Q HN 0.336 nan 8.270 nan 0.000 0.428 433 A N 1.167 123.934 122.820 -0.090 0.000 1.859 433 A HA -0.242 4.078 4.320 -0.000 0.000 0.217 433 A C 2.003 179.531 177.584 -0.094 0.000 1.198 433 A CA 1.822 53.809 52.037 -0.084 0.000 0.629 433 A CB -0.986 17.970 19.000 -0.073 0.000 0.830 433 A HN 0.488 nan 8.150 nan 0.000 0.446 434 I N -0.582 119.930 120.570 -0.098 0.000 2.208 434 I HA -0.241 3.929 4.170 -0.000 0.000 0.245 434 I C 2.859 178.932 176.117 -0.073 0.000 1.097 434 I CA 1.642 62.885 61.300 -0.095 0.000 1.363 434 I CB -0.285 37.662 38.000 -0.089 0.000 1.051 434 I HN 0.462 nan 8.210 nan 0.000 0.413 435 S N 0.271 115.932 115.700 -0.065 0.000 2.368 435 S HA -0.175 4.295 4.470 -0.000 0.000 0.224 435 S C 1.564 176.152 174.600 -0.021 0.000 1.029 435 S CA 1.786 59.964 58.200 -0.038 0.000 0.988 435 S CB -0.083 63.088 63.200 -0.047 0.000 0.838 435 S HN 0.385 nan 8.310 nan 0.000 0.462 436 D N 0.220 120.596 120.400 -0.040 0.000 2.423 436 D HA 0.266 4.906 4.640 -0.000 0.000 0.208 436 D C 0.071 176.351 176.300 -0.034 0.000 1.068 436 D CA -0.029 53.955 54.000 -0.026 0.000 0.860 436 D CB -0.015 40.763 40.800 -0.037 0.000 0.992 436 D HN 0.358 nan 8.370 nan 0.000 0.504 437 L N 1.734 122.911 121.223 -0.077 0.000 2.462 437 L HA 0.077 4.417 4.340 -0.000 0.000 0.272 437 L C 0.688 177.457 176.870 -0.169 0.000 1.166 437 L CA 0.346 55.117 54.840 -0.115 0.000 0.880 437 L CB 0.529 42.497 42.059 -0.151 0.000 1.142 437 L HN -0.225 nan 8.230 nan 0.000 0.473 438 E N 3.383 123.516 120.200 -0.112 0.000 2.325 438 E HA 0.177 4.527 4.350 -0.000 0.000 0.295 438 E C -0.718 175.693 176.600 -0.315 0.000 1.461 438 E CA -0.248 56.123 56.400 -0.048 0.000 1.698 438 E CB 0.306 30.095 29.700 0.149 0.000 1.496 438 E HN 0.434 nan 8.360 nan 0.000 0.474 439 V N -3.668 115.749 119.914 -0.828 0.000 3.078 439 V HA 0.645 4.765 4.120 -0.000 0.000 0.311 439 V C 1.032 176.261 176.094 -1.441 0.000 1.138 439 V CA -0.782 60.999 62.300 -0.866 0.000 1.007 439 V CB 1.528 33.086 31.823 -0.442 0.000 1.045 439 V HN 0.169 nan 8.190 nan 0.000 0.432 440 G N 0.528 108.656 108.800 -1.121 0.000 2.511 440 G HA2 0.161 4.121 3.960 -0.000 0.000 0.217 440 G HA3 0.161 4.121 3.960 -0.000 0.000 0.217 440 G C 0.367 174.998 174.900 -0.448 0.000 1.133 440 G CA 0.413 45.018 45.100 -0.824 0.000 0.792 440 G HN 0.812 nan 8.290 nan 0.000 0.539 441 E N -0.321 119.634 120.200 -0.407 0.000 2.260 441 E HA 0.452 4.802 4.350 -0.000 0.000 0.266 441 E C -1.498 174.873 176.600 -0.381 0.000 0.887 441 E CA -0.527 55.661 56.400 -0.353 0.000 0.777 441 E CB 2.959 32.523 29.700 -0.227 0.000 1.205 441 E HN -0.067 nan 8.360 nan 0.000 0.414 442 V N 3.515 123.180 119.914 -0.415 0.000 2.459 442 V HA 0.363 4.483 4.120 -0.000 0.000 0.295 442 V C -1.076 174.791 176.094 -0.379 0.000 1.029 442 V CA -0.692 61.422 62.300 -0.310 0.000 0.874 442 V CB 0.694 32.382 31.823 -0.226 0.000 0.985 442 V HN 0.594 nan 8.190 nan 0.000 0.438 443 Y N 4.463 124.634 120.300 -0.214 0.000 2.328 443 Y HA 0.564 5.114 4.550 -0.000 0.000 0.333 443 Y C 0.003 175.861 175.900 -0.070 0.000 0.958 443 Y CA -0.884 57.152 58.100 -0.107 0.000 1.167 443 Y CB 1.570 40.004 38.460 -0.043 0.000 1.151 443 Y HN 0.357 nan 8.280 nan 0.000 0.470 444 I N 4.543 125.137 120.570 0.040 0.000 2.312 444 I HA 0.161 4.331 4.170 -0.000 0.000 0.290 444 I C -0.022 176.053 176.117 -0.071 0.000 1.008 444 I CA -0.635 60.651 61.300 -0.023 0.000 1.226 444 I CB 0.960 38.944 38.000 -0.027 0.000 1.371 444 I HN 0.780 nan 8.210 nan 0.000 0.468 445 N N 4.673 123.226 118.700 -0.245 0.000 2.747 445 N HA -0.245 4.495 4.740 -0.000 0.000 0.249 445 N C -0.138 175.184 175.510 -0.314 0.000 1.107 445 N CA 0.815 53.602 53.050 -0.438 0.000 0.707 445 N CB -0.714 37.698 38.487 -0.124 0.000 1.054 445 N HN 0.821 nan 8.380 nan 0.000 0.555 446 R N -2.798 117.568 120.500 -0.223 0.000 2.747 446 R HA 0.830 5.170 4.340 -0.000 0.000 0.272 446 R C 0.443 176.820 176.300 0.128 0.000 1.032 446 R CA -0.434 55.692 56.100 0.043 0.000 0.896 446 R CB 0.143 30.508 30.300 0.109 0.000 1.253 446 R HN -0.060 nan 8.270 nan 0.000 0.461 447 G N -0.094 108.760 108.800 0.089 0.000 2.940 447 G HA2 0.412 4.372 3.960 -0.000 0.000 0.164 447 G HA3 0.412 4.372 3.960 -0.000 0.000 0.164 447 G C -0.761 174.028 174.900 -0.186 0.000 1.326 447 G CA -1.162 43.856 45.100 -0.136 0.000 1.020 447 G HN 0.653 nan 8.290 nan 0.000 0.586 448 M N 0.791 120.192 119.600 -0.331 0.000 2.248 448 M HA 0.429 4.909 4.480 -0.000 0.000 0.345 448 M C 0.265 176.504 176.300 -0.101 0.000 1.243 448 M CA 1.459 56.627 55.300 -0.220 0.000 1.090 448 M CB 0.190 32.689 32.600 -0.168 0.000 1.683 448 M HN 1.010 nan 8.290 nan 0.000 0.450 449 G N 4.213 112.969 108.800 -0.073 0.000 2.400 449 G HA2 0.131 4.091 3.960 -0.000 0.000 0.199 449 G HA3 0.131 4.091 3.960 -0.000 0.000 0.199 449 G C -1.564 173.417 174.900 0.136 0.000 1.383 449 G CA -1.024 44.083 45.100 0.012 0.000 1.117 449 G HN 0.700 nan 8.290 nan 0.000 0.621 450 E N 1.262 121.531 120.200 0.115 0.000 2.312 450 E HA 0.689 5.039 4.350 -0.000 0.000 0.259 450 E C 0.530 177.129 176.600 -0.003 0.000 1.122 450 E CA -0.499 55.987 56.400 0.143 0.000 0.922 450 E CB 1.108 30.883 29.700 0.124 0.000 1.109 450 E HN 0.609 nan 8.360 nan 0.000 0.442 451 Q N -0.278 119.512 119.800 -0.017 0.000 2.458 451 Q HA 0.298 4.638 4.340 -0.000 0.000 0.282 451 Q C 0.090 176.029 176.000 -0.102 0.000 1.106 451 Q CA -0.940 54.766 55.803 -0.162 0.000 0.814 451 Q CB 1.253 29.898 28.738 -0.156 0.000 1.425 451 Q HN 0.556 nan 8.270 nan 0.000 0.437 452 H N 0.788 119.687 119.070 -0.285 0.000 2.491 452 H HA -0.111 4.445 4.556 -0.000 0.000 0.290 452 H C 1.577 176.485 175.328 -0.701 0.000 1.050 452 H CA 1.184 56.981 56.048 -0.419 0.000 1.309 452 H CB 0.310 29.770 29.762 -0.504 0.000 1.392 452 H HN 0.547 nan 8.280 nan 0.000 0.554 453 Q N 0.664 120.228 119.800 -0.394 0.000 2.392 453 Q HA 0.130 4.470 4.340 -0.000 0.000 0.203 453 Q C 1.144 177.117 176.000 -0.044 0.000 0.917 453 Q CA 0.395 56.023 55.803 -0.291 0.000 0.939 453 Q CB 0.090 28.772 28.738 -0.094 0.000 1.063 453 Q HN 0.238 nan 8.270 nan 0.000 0.516 454 G N 1.197 110.004 108.800 0.012 0.000 2.525 454 G HA2 0.292 4.252 3.960 -0.000 0.000 0.276 454 G HA3 0.292 4.252 3.960 -0.000 0.000 0.276 454 G C -1.250 173.836 174.900 0.311 0.000 1.388 454 G CA -0.442 44.737 45.100 0.132 0.000 1.050 454 G HN 0.238 nan 8.290 nan 0.000 0.520 455 F N -0.212 119.822 119.950 0.140 0.000 2.716 455 F HA 0.352 4.879 4.527 0.000 0.000 0.354 455 F C -0.493 175.421 175.800 0.191 0.000 1.168 455 F CA -1.496 56.623 58.000 0.197 0.000 1.045 455 F CB 1.127 40.268 39.000 0.236 0.000 1.311 455 F HN 0.460 nan 8.300 nan 0.000 0.477 456 H N 4.359 123.432 119.070 0.005 0.000 3.224 456 H HA 0.234 4.790 4.556 -0.000 0.000 0.265 456 H C -0.545 174.578 175.328 -0.341 0.000 1.461 456 H CA 0.352 56.338 56.048 -0.103 0.000 1.509 456 H CB -0.142 29.643 29.762 0.038 0.000 1.686 456 H HN 0.479 nan 8.280 nan 0.000 0.514 457 N N 2.895 121.252 118.700 -0.571 0.000 2.682 457 N HA 0.236 4.976 4.740 -0.000 0.000 0.252 457 N C -0.436 174.920 175.510 -0.256 0.000 1.081 457 N CA -0.482 52.207 53.050 -0.603 0.000 0.844 457 N CB 0.828 38.698 38.487 -1.029 0.000 1.167 457 N HN 0.559 nan 8.380 nan 0.000 0.523 458 G N 1.955 110.635 108.800 -0.201 0.000 2.358 458 G HA2 0.212 4.172 3.960 -0.000 0.000 0.273 458 G HA3 0.212 4.172 3.960 -0.000 0.000 0.273 458 G C -0.295 174.700 174.900 0.158 0.000 1.215 458 G CA -0.341 44.722 45.100 -0.062 0.000 0.910 458 G HN 0.393 nan 8.290 nan 0.000 0.467 459 W N 1.613 122.854 121.300 -0.099 0.000 2.089 459 W HA 0.473 5.133 4.660 -0.000 0.000 0.362 459 W C 1.250 177.753 176.519 -0.027 0.000 1.362 459 W CA -1.256 56.047 57.345 -0.069 0.000 1.460 459 W CB 0.287 29.709 29.460 -0.063 0.000 1.204 459 W HN 0.781 nan 8.180 nan 0.000 0.657 460 K N -0.560 119.964 120.400 0.206 0.000 1.699 460 K HA -0.330 3.990 4.320 -0.000 0.000 0.127 460 K C 1.075 177.714 176.600 0.066 0.000 1.157 460 K CA 1.897 58.241 56.287 0.096 0.000 0.341 460 K CB -1.180 31.374 32.500 0.090 0.000 0.645 460 K HN 0.360 nan 8.250 nan 0.000 0.848 461 Q N 0.573 120.389 119.800 0.026 0.000 2.444 461 Q HA 0.107 4.447 4.340 -0.000 0.000 0.206 461 Q C 1.522 177.618 176.000 0.161 0.000 0.948 461 Q CA 0.767 56.585 55.803 0.024 0.000 0.946 461 Q CB 0.579 29.233 28.738 -0.140 0.000 1.027 461 Q HN 0.362 nan 8.270 nan 0.000 0.513 462 S N -0.245 115.576 115.700 0.203 0.000 2.522 462 S HA 0.195 4.665 4.470 -0.000 0.000 0.227 462 S C 0.805 175.469 174.600 0.107 0.000 0.986 462 S CA 0.583 58.901 58.200 0.195 0.000 0.929 462 S CB 0.404 63.695 63.200 0.151 0.000 0.769 462 S HN 0.558 nan 8.310 nan 0.000 0.529 463 G N 0.064 108.935 108.800 0.117 0.000 2.323 463 G HA2 0.440 4.400 3.960 -0.000 0.000 0.291 463 G HA3 0.440 4.400 3.960 -0.000 0.000 0.291 463 G C -2.246 172.781 174.900 0.212 0.000 1.278 463 G CA -0.827 44.351 45.100 0.130 0.000 0.860 463 G HN 0.111 nan 8.290 nan 0.000 0.504 464 F N 0.031 120.014 119.950 0.055 0.000 2.588 464 F HA 0.569 5.096 4.527 -0.000 0.000 0.314 464 F C 0.879 176.723 175.800 0.073 0.000 1.134 464 F CA 1.117 59.166 58.000 0.082 0.000 0.961 464 F CB 1.850 40.955 39.000 0.175 0.000 1.239 464 F HN 1.953 nan 8.300 nan 0.000 0.448 465 G N 2.807 111.358 108.800 -0.415 0.000 3.586 465 G HA2 0.276 4.236 3.960 -0.000 0.000 0.212 465 G HA3 0.276 4.236 3.960 -0.000 0.000 0.212 465 G C 0.725 175.637 174.900 0.020 0.000 1.411 465 G CA 0.307 45.320 45.100 -0.144 0.000 0.898 465 G HN 2.387 nan 8.290 nan 0.000 0.575 466 G N -0.245 108.541 108.800 -0.022 0.000 2.784 466 G HA2 0.444 4.404 3.960 -0.000 0.000 0.686 466 G HA3 0.444 4.404 3.960 -0.000 0.000 0.686 466 G C -0.766 174.251 174.900 0.195 0.000 1.156 466 G CA 0.901 45.888 45.100 -0.188 0.000 0.757 466 G HN 1.399 nan 8.290 nan 0.000 0.642 467 E N 0.929 121.221 120.200 0.152 0.000 2.299 467 E HA 0.628 4.978 4.350 -0.000 0.000 0.265 467 E C -0.335 176.534 176.600 0.449 0.000 0.911 467 E CA -0.177 56.418 56.400 0.324 0.000 0.789 467 E CB 1.337 31.177 29.700 0.235 0.000 1.246 467 E HN 0.785 nan 8.360 nan 0.000 0.427 468 D N 0.413 121.064 120.400 0.418 0.000 10.746 468 D HA -0.041 4.599 4.640 -0.000 0.000 0.347 468 D C 0.265 176.801 176.300 0.393 0.000 3.135 468 D CA 1.505 55.733 54.000 0.379 0.000 2.657 468 D CB -0.992 40.010 40.800 0.336 0.000 1.219 468 D HN 0.963 nan 8.370 nan 0.000 0.943 469 G N 0.337 109.269 108.800 0.220 0.000 2.645 469 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.239 469 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.239 469 G C 0.848 175.910 174.900 0.270 0.000 1.331 469 G CA 1.038 46.247 45.100 0.182 0.000 0.890 469 G HN 0.841 nan 8.290 nan 0.000 0.572 470 K N -0.707 119.727 120.400 0.057 0.000 2.032 470 K HA -0.020 4.300 4.320 -0.000 0.000 0.209 470 K C 2.415 178.851 176.600 -0.273 0.000 1.048 470 K CA 2.478 58.654 56.287 -0.186 0.000 0.927 470 K CB -0.261 31.946 32.500 -0.488 0.000 0.712 470 K HN 0.452 nan 8.250 nan 0.000 0.441 471 F N -0.057 119.751 119.950 -0.238 0.000 2.367 471 F HA 0.065 4.592 4.527 0.000 0.000 0.298 471 F C 2.373 178.101 175.800 -0.119 0.000 1.094 471 F CA 0.669 58.419 58.000 -0.416 0.000 1.409 471 F CB -0.364 37.929 39.000 -1.178 0.000 1.064 471 F HN 0.196 nan 8.300 nan 0.000 0.528 472 G N 0.344 109.309 108.800 0.274 0.000 2.414 472 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.215 472 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.215 472 G C 1.718 176.859 174.900 0.402 0.000 1.188 472 G CA 0.429 45.789 45.100 0.433 0.000 0.783 472 G HN 0.277 nan 8.290 nan 0.000 0.537 473 L N 0.103 121.539 121.223 0.356 0.000 2.042 473 L HA -0.098 4.242 4.340 -0.000 0.000 0.210 473 L C 2.872 179.925 176.870 0.307 0.000 1.076 473 L CA 1.635 56.690 54.840 0.358 0.000 0.749 473 L CB -0.212 41.965 42.059 0.197 0.000 0.893 473 L HN 0.258 nan 8.230 nan 0.000 0.432 474 E N 0.102 120.406 120.200 0.173 0.000 2.219 474 E HA -0.286 4.064 4.350 -0.000 0.000 0.198 474 E C 2.062 178.739 176.600 0.129 0.000 0.998 474 E CA 1.420 57.894 56.400 0.123 0.000 0.818 474 E CB -0.026 29.723 29.700 0.082 0.000 0.741 474 E HN 0.493 nan 8.360 nan 0.000 0.477 475 Q N -1.541 118.330 119.800 0.118 0.000 2.297 475 Q HA -0.092 4.248 4.340 -0.000 0.000 0.204 475 Q C 0.935 176.880 176.000 -0.093 0.000 0.962 475 Q CA 0.760 56.557 55.803 -0.010 0.000 0.879 475 Q CB 0.016 28.708 28.738 -0.077 0.000 0.947 475 Q HN 0.455 nan 8.270 nan 0.000 0.462 476 Y N -0.549 119.811 120.300 0.099 0.000 2.529 476 Y HA 0.044 4.594 4.550 -0.000 0.000 0.290 476 Y C -0.062 175.884 175.900 0.077 0.000 1.177 476 Y CA 0.083 58.237 58.100 0.089 0.000 1.305 476 Y CB 0.641 39.157 38.460 0.093 0.000 1.047 476 Y HN 0.020 nan 8.280 nan 0.000 0.522 477 L N 0.660 121.988 121.223 0.175 0.000 2.349 477 L HA 0.346 4.686 4.340 -0.000 0.000 0.278 477 L C -0.246 176.680 176.870 0.093 0.000 0.996 477 L CA -1.282 53.635 54.840 0.129 0.000 0.825 477 L CB 1.375 43.501 42.059 0.112 0.000 1.243 477 L HN -0.030 nan 8.230 nan 0.000 0.412 478 E N 2.596 122.847 120.200 0.085 0.000 2.318 478 E HA 0.452 4.802 4.350 -0.000 0.000 0.265 478 E C -0.936 175.709 176.600 0.074 0.000 1.069 478 E CA -0.298 56.145 56.400 0.071 0.000 0.893 478 E CB 0.921 30.660 29.700 0.064 0.000 1.076 478 E HN 0.223 nan 8.360 nan 0.000 0.414 479 K N 1.592 122.035 120.400 0.072 0.000 2.156 479 K HA 0.451 4.771 4.320 -0.000 0.000 0.254 479 K C -0.861 175.792 176.600 0.089 0.000 0.950 479 K CA -0.580 55.755 56.287 0.081 0.000 0.849 479 K CB 1.490 34.032 32.500 0.070 0.000 1.100 479 K HN 0.285 nan 8.250 nan 0.000 0.434 480 K N 1.225 121.696 120.400 0.119 0.000 2.502 480 K HA 0.349 4.669 4.320 -0.000 0.000 0.254 480 K C -1.143 175.562 176.600 0.175 0.000 0.947 480 K CA -0.362 56.000 56.287 0.125 0.000 0.834 480 K CB 1.241 33.794 32.500 0.088 0.000 1.112 480 K HN 0.592 nan 8.250 nan 0.000 0.427 481 T N 2.737 117.380 114.554 0.149 0.000 2.806 481 T HA 0.303 4.653 4.350 -0.000 0.000 0.290 481 T C -0.533 174.283 174.700 0.194 0.000 0.966 481 T CA -0.496 61.692 62.100 0.146 0.000 1.060 481 T CB 1.137 70.087 68.868 0.136 0.000 0.927 481 T HN 0.228 nan 8.240 nan 0.000 0.485 482 V N 4.082 124.111 119.914 0.192 0.000 2.483 482 V HA 0.330 4.450 4.120 -0.000 0.000 0.297 482 V C -1.217 174.995 176.094 0.197 0.000 1.027 482 V CA -1.046 61.396 62.300 0.237 0.000 0.855 482 V CB 1.071 33.036 31.823 0.237 0.000 0.995 482 V HN 0.798 nan 8.190 nan 0.000 0.424 483 Y N 4.882 125.266 120.300 0.139 0.000 2.454 483 Y HA 0.546 5.096 4.550 -0.000 0.000 0.345 483 Y C 0.363 176.336 175.900 0.123 0.000 0.970 483 Y CA -0.629 57.542 58.100 0.118 0.000 1.204 483 Y CB 0.917 39.418 38.460 0.068 0.000 1.122 483 Y HN 0.465 nan 8.280 nan 0.000 0.514 484 I N 3.596 124.327 120.570 0.268 0.000 2.312 484 I HA 0.168 4.338 4.170 -0.000 0.000 0.290 484 I C -0.197 176.018 176.117 0.163 0.000 1.008 484 I CA -0.687 60.738 61.300 0.208 0.000 1.226 484 I CB 1.045 39.184 38.000 0.232 0.000 1.371 484 I HN 0.540 nan 8.210 nan 0.000 0.468 485 N N 5.232 124.007 118.700 0.124 0.000 2.422 485 N HA 0.106 4.846 4.740 -0.000 0.000 0.264 485 N C 0.425 175.978 175.510 0.072 0.000 1.063 485 N CA -0.094 53.011 53.050 0.091 0.000 0.959 485 N CB 0.877 39.408 38.487 0.073 0.000 1.087 485 N HN 0.495 nan 8.380 nan 0.000 0.483 486 E N 1.924 122.163 120.200 0.065 0.000 2.472 486 E HA 0.169 4.519 4.350 -0.000 0.000 0.196 486 E C 0.119 176.742 176.600 0.038 0.000 1.033 486 E CA -0.342 56.089 56.400 0.053 0.000 0.886 486 E CB 0.431 30.164 29.700 0.055 0.000 0.944 486 E HN 0.668 nan 8.360 nan 0.000 0.492 487 A N 1.776 124.617 122.820 0.035 0.000 2.520 487 A HA 0.094 4.414 4.320 -0.000 0.000 0.235 487 A C 0.065 177.662 177.584 0.022 0.000 1.065 487 A CA 0.197 52.250 52.037 0.026 0.000 0.764 487 A CB 0.279 19.294 19.000 0.025 0.000 1.002 487 A HN 0.002 nan 8.150 nan 0.000 0.502 488 E N 0.000 120.211 120.200 0.018 0.000 2.725 488 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 488 E CA 0.000 56.409 56.400 0.015 0.000 0.976 488 E CB 0.000 29.708 29.700 0.013 0.000 0.812 488 E HN 0.000 nan 8.360 nan 0.000 0.440