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 2bex_1_B DATA FIRST_RESID 4 DATA SEQUENCE IQSLDIQCEE LSDARWAELL PLLQQCQVVR LDDCGLTEAR CKDISSALRV DATA SEQUENCE NPALAELNLR SNELGDVGVH CVLQGLQTPS CKIQKLSLQN CCLTGAGCGV DATA SEQUENCE LSSTLRTLPT LQELHLSDNL LGDAGLQLLC EGLLDPQCRL EKLQLEYCSL DATA SEQUENCE SAASCEPLAS VLRAKPDFKE LTVSNNDINE AGVRVLCQGL KDSPCQLEAL DATA SEQUENCE KLESCGVTSD NCRDLCGIVA SKASLRELAL GSNKLGDVGM AELCPGLLHP DATA SEQUENCE SSRLRTLWIW ECGITAKGCG DLCRVLRAKE SLKELSLAGN ELGDEGARLL DATA SEQUENCE CETLLEPGCQ LESLWVKSCS FTAACCSHFS SVLAQNRFLL ELQISNNRLE DATA SEQUENCE DAGVRELCQG LGQPGSVLRV LWLADCDVSD SSCSSLAATL LANHSLRELD DATA SEQUENCE LSNNCLGDAG ILQLVESVRQ PGCLLEQLVL YDIYWSEEME DRLQALEKDK DATA SEQUENCE PSLRVIS 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 4 I HA 0.000 nan 4.170 nan 0.000 0.288 4 I C 0.000 176.110 176.117 -0.011 0.000 1.063 4 I CA 0.000 61.294 61.300 -0.010 0.000 1.566 4 I CB 0.000 37.995 38.000 -0.009 0.000 1.214 5 Q N 1.115 120.907 119.800 -0.013 0.000 2.394 5 Q HA 0.751 5.093 4.340 0.003 0.000 0.248 5 Q C 0.376 176.367 176.000 -0.015 0.000 0.992 5 Q CA 0.198 55.992 55.803 -0.014 0.000 0.888 5 Q CB 0.546 29.274 28.738 -0.018 0.000 1.257 5 Q HN 2.309 nan 8.270 nan 0.000 0.462 6 S N -0.030 115.662 115.700 -0.014 0.000 2.549 6 S HA 0.723 5.195 4.470 0.003 0.000 0.280 6 S C -1.232 173.361 174.600 -0.012 0.000 1.109 6 S CA -0.751 57.441 58.200 -0.012 0.000 0.905 6 S CB 1.537 64.732 63.200 -0.009 0.000 1.081 6 S HN 1.336 nan 8.310 nan 0.000 0.477 7 L N 2.306 123.523 121.223 -0.010 0.000 2.316 7 L HA 0.712 5.054 4.340 0.003 0.000 0.280 7 L C -1.493 175.379 176.870 0.004 0.000 1.006 7 L CA -0.027 54.808 54.840 -0.008 0.000 0.836 7 L CB 1.277 43.326 42.059 -0.017 0.000 1.221 7 L HN 0.905 nan 8.230 nan 0.000 0.418 8 D N 5.968 126.373 120.400 0.008 0.000 2.421 8 D HA 0.432 5.074 4.640 0.003 0.000 0.254 8 D C -1.115 175.198 176.300 0.021 0.000 1.238 8 D CA -0.042 53.966 54.000 0.014 0.000 0.919 8 D CB 0.783 41.588 40.800 0.009 0.000 1.152 8 D HN 0.478 nan 8.370 nan 0.000 0.552 9 I N 1.731 122.320 120.570 0.032 0.000 2.569 9 I HA 0.660 4.832 4.170 0.003 0.000 0.296 9 I C 0.181 176.320 176.117 0.038 0.000 1.028 9 I CA -0.661 60.662 61.300 0.038 0.000 1.082 9 I CB 1.984 40.017 38.000 0.054 0.000 1.264 9 I HN 0.377 nan 8.210 nan 0.000 0.429 10 Q N 2.688 122.507 119.800 0.032 0.000 2.340 10 Q HA 0.421 4.762 4.340 0.003 0.000 0.276 10 Q C -0.176 175.839 176.000 0.025 0.000 1.048 10 Q CA -0.583 55.237 55.803 0.029 0.000 0.832 10 Q CB 1.582 30.335 28.738 0.025 0.000 1.373 10 Q HN 1.031 nan 8.270 nan 0.000 0.409 11 C N 1.510 120.824 119.300 0.022 0.000 3.896 11 C HA -0.108 4.354 4.460 0.003 0.000 0.300 11 C C -0.077 174.924 174.990 0.018 0.000 1.322 11 C CA 1.524 60.553 59.018 0.017 0.000 2.130 11 C CB -2.160 25.590 27.740 0.016 0.000 1.363 11 C HN 0.850 nan 8.230 nan 0.000 0.642 12 E N 0.328 120.541 120.200 0.022 0.000 2.290 12 E HA 0.544 4.896 4.350 0.003 0.000 0.274 12 E C -0.199 176.414 176.600 0.023 0.000 0.889 12 E CA 0.336 56.750 56.400 0.024 0.000 0.760 12 E CB 1.500 31.220 29.700 0.033 0.000 1.206 12 E HN 0.560 nan 8.360 nan 0.000 0.419 13 E N 3.876 124.086 120.200 0.016 0.000 2.180 13 E HA 0.311 4.663 4.350 0.003 0.000 0.283 13 E C -0.568 176.047 176.600 0.025 0.000 1.061 13 E CA -0.215 56.190 56.400 0.009 0.000 0.861 13 E CB 0.286 29.987 29.700 0.002 0.000 1.056 13 E HN 0.350 nan 8.360 nan 0.000 0.407 14 L N 3.227 124.468 121.223 0.030 0.000 2.260 14 L HA 0.336 4.678 4.340 0.003 0.000 0.289 14 L C 1.012 177.919 176.870 0.061 0.000 1.057 14 L CA -0.816 54.070 54.840 0.076 0.000 0.811 14 L CB 1.279 43.431 42.059 0.155 0.000 1.184 14 L HN 0.711 nan 8.230 nan 0.000 0.429 15 S N 0.604 116.347 115.700 0.071 0.000 2.600 15 S HA 0.088 4.560 4.470 0.003 0.000 0.265 15 S C 0.720 175.386 174.600 0.110 0.000 1.325 15 S CA -0.772 57.465 58.200 0.060 0.000 1.002 15 S CB 1.140 64.370 63.200 0.050 0.000 0.921 15 S HN 0.577 nan 8.310 nan 0.000 0.554 16 D N 1.359 121.811 120.400 0.087 0.000 2.149 16 D HA -0.092 4.550 4.640 0.003 0.000 0.198 16 D C 2.179 178.579 176.300 0.166 0.000 0.990 16 D CA 1.699 55.781 54.000 0.138 0.000 0.839 16 D CB -0.741 40.108 40.800 0.082 0.000 0.948 16 D HN 0.704 nan 8.370 nan 0.000 0.460 17 A N 1.134 124.016 122.820 0.104 0.000 1.877 17 A HA -0.199 4.123 4.320 0.003 0.000 0.216 17 A C 2.233 179.868 177.584 0.086 0.000 1.186 17 A CA 1.813 53.897 52.037 0.078 0.000 0.620 17 A CB -0.501 18.529 19.000 0.050 0.000 0.822 17 A HN 0.111 nan 8.150 nan 0.000 0.443 18 R N -1.174 119.388 120.500 0.103 0.000 2.096 18 R HA -0.163 4.179 4.340 0.003 0.000 0.235 18 R C 2.095 178.477 176.300 0.137 0.000 1.127 18 R CA 1.673 57.833 56.100 0.099 0.000 0.968 18 R CB -0.510 29.853 30.300 0.106 0.000 0.861 18 R HN 0.799 nan 8.270 nan 0.000 0.440 19 W N 0.558 121.858 121.300 -0.001 0.000 2.358 19 W HA -0.183 4.480 4.660 0.004 0.000 0.303 19 W C 1.608 178.126 176.519 -0.001 0.000 1.208 19 W CA 1.469 58.813 57.345 -0.001 0.000 1.274 19 W CB -0.216 29.244 29.460 -0.001 0.000 1.138 19 W HN 0.301 nan 8.180 nan 0.000 0.515 20 A N 0.655 123.484 122.820 0.014 0.000 1.969 20 A HA -0.216 4.106 4.320 0.003 0.000 0.218 20 A C 1.748 179.255 177.584 -0.129 0.000 1.169 20 A CA 1.779 53.767 52.037 -0.082 0.000 0.635 20 A CB -0.753 18.255 19.000 0.013 0.000 0.810 20 A HN 0.487 nan 8.150 nan 0.000 0.445 21 E N -0.294 119.853 120.200 -0.087 0.000 2.158 21 E HA -0.013 4.339 4.350 0.003 0.000 0.191 21 E C 1.679 178.199 176.600 -0.133 0.000 0.982 21 E CA 0.716 57.066 56.400 -0.083 0.000 0.823 21 E CB -0.157 29.521 29.700 -0.037 0.000 0.766 21 E HN 0.621 nan 8.360 nan 0.000 0.468 22 L N 0.443 121.544 121.223 -0.203 0.000 2.341 22 L HA -0.053 4.289 4.340 0.003 0.000 0.214 22 L C 2.270 178.925 176.870 -0.359 0.000 1.115 22 L CA -0.108 54.581 54.840 -0.252 0.000 0.820 22 L CB -0.136 41.774 42.059 -0.248 0.000 0.944 22 L HN 0.150 nan 8.230 nan 0.000 0.452 23 L N 1.610 122.539 121.223 -0.489 0.000 1.997 23 L HA -0.164 4.178 4.340 0.003 0.000 0.216 23 L C -0.246 176.476 176.870 -0.247 0.000 1.074 23 L CA 2.402 56.970 54.840 -0.453 0.000 0.763 23 L CB -1.467 40.345 42.059 -0.412 0.000 0.890 23 L HN 0.123 nan 8.230 nan 0.000 0.434 24 P HA -0.201 nan 4.420 nan 0.000 0.218 24 P C 2.109 179.348 177.300 -0.102 0.000 1.148 24 P CA 1.596 64.627 63.100 -0.115 0.000 0.822 24 P CB -0.090 31.556 31.700 -0.090 0.000 0.784 25 L N -1.115 120.038 121.223 -0.116 0.000 2.141 25 L HA -0.108 4.234 4.340 0.003 0.000 0.209 25 L C 2.756 179.574 176.870 -0.086 0.000 1.094 25 L CA 1.019 55.805 54.840 -0.090 0.000 0.763 25 L CB -0.867 41.139 42.059 -0.088 0.000 0.908 25 L HN -0.080 nan 8.230 nan 0.000 0.437 26 L N -0.716 120.436 121.223 -0.119 0.000 2.275 26 L HA -0.199 4.143 4.340 0.003 0.000 0.215 26 L C 2.488 179.320 176.870 -0.064 0.000 1.119 26 L CA 0.996 55.779 54.840 -0.094 0.000 0.790 26 L CB -0.308 41.673 42.059 -0.130 0.000 0.919 26 L HN 0.362 nan 8.230 nan 0.000 0.443 27 Q N -0.812 118.947 119.800 -0.068 0.000 2.378 27 Q HA -0.148 4.194 4.340 0.003 0.000 0.205 27 Q C 1.539 177.518 176.000 -0.035 0.000 0.954 27 Q CA 0.886 56.661 55.803 -0.047 0.000 0.901 27 Q CB 0.278 28.987 28.738 -0.048 0.000 0.981 27 Q HN 0.522 nan 8.270 nan 0.000 0.483 28 Q N -1.631 118.146 119.800 -0.038 0.000 2.245 28 Q HA 0.133 4.475 4.340 0.003 0.000 0.250 28 Q C -0.062 175.922 176.000 -0.026 0.000 0.830 28 Q CA -0.062 55.724 55.803 -0.029 0.000 0.950 28 Q CB 1.074 29.795 28.738 -0.029 0.000 1.124 28 Q HN 0.124 nan 8.270 nan 0.000 0.502 29 C N 2.110 121.392 119.300 -0.030 0.000 2.653 29 C HA 0.003 4.465 4.460 0.003 0.000 0.421 29 C C 1.904 176.883 174.990 -0.019 0.000 1.334 29 C CA 0.103 59.106 59.018 -0.024 0.000 1.885 29 C CB 0.407 28.131 27.740 -0.027 0.000 2.645 29 C HN 0.565 nan 8.230 nan 0.000 0.601 30 Q N 1.906 121.696 119.800 -0.016 0.000 2.137 30 Q HA 0.006 4.348 4.340 0.003 0.000 0.198 30 Q C 0.045 176.036 176.000 -0.014 0.000 0.960 30 Q CA 1.272 57.067 55.803 -0.014 0.000 0.847 30 Q CB 0.313 29.043 28.738 -0.013 0.000 0.915 30 Q HN 0.687 nan 8.270 nan 0.000 0.448 31 V N 1.499 121.404 119.914 -0.014 0.000 2.409 31 V HA 0.343 4.465 4.120 0.003 0.000 0.291 31 V C -0.836 175.252 176.094 -0.010 0.000 1.020 31 V CA -0.668 61.624 62.300 -0.013 0.000 0.848 31 V CB 1.784 33.600 31.823 -0.012 0.000 0.990 31 V HN -0.047 nan 8.190 nan 0.000 0.430 32 V N 6.043 125.953 119.914 -0.006 0.000 2.407 32 V HA 0.560 4.682 4.120 0.003 0.000 0.291 32 V C -0.066 176.034 176.094 0.010 0.000 1.018 32 V CA -0.642 61.659 62.300 0.003 0.000 0.842 32 V CB 1.689 33.516 31.823 0.007 0.000 0.996 32 V HN 0.857 nan 8.190 nan 0.000 0.426 33 R N 5.509 126.020 120.500 0.017 0.000 2.435 33 R HA 0.620 4.962 4.340 0.003 0.000 0.308 33 R C -1.581 174.743 176.300 0.040 0.000 0.975 33 R CA -0.593 55.520 56.100 0.023 0.000 0.867 33 R CB 1.122 31.430 30.300 0.014 0.000 1.171 33 R HN 0.723 nan 8.270 nan 0.000 0.470 34 L N 4.424 125.679 121.223 0.053 0.000 2.502 34 L HA 0.288 4.630 4.340 0.003 0.000 0.247 34 L C -0.560 176.342 176.870 0.053 0.000 1.180 34 L CA -0.660 54.223 54.840 0.072 0.000 0.956 34 L CB 1.176 43.303 42.059 0.115 0.000 1.282 34 L HN 0.524 nan 8.230 nan 0.000 0.470 35 D N 2.401 122.826 120.400 0.042 0.000 2.316 35 D HA 0.033 4.675 4.640 0.003 0.000 0.245 35 D C 0.318 176.635 176.300 0.028 0.000 1.171 35 D CA 0.156 54.176 54.000 0.033 0.000 0.856 35 D CB 1.019 41.837 40.800 0.031 0.000 1.090 35 D HN 0.429 nan 8.370 nan 0.000 0.476 36 D N 2.876 123.289 120.400 0.022 0.000 2.737 36 D HA -0.227 4.415 4.640 0.003 0.000 0.238 36 D C -0.354 175.954 176.300 0.012 0.000 1.157 36 D CA 0.346 54.353 54.000 0.013 0.000 0.694 36 D CB -1.289 39.519 40.800 0.012 0.000 1.021 36 D HN 0.304 nan 8.370 nan 0.000 0.420 37 C N 0.772 120.079 119.300 0.012 0.000 2.647 37 C HA 0.657 5.119 4.460 0.003 0.000 0.296 37 C C 1.876 176.852 174.990 -0.023 0.000 1.403 37 C CA -0.062 58.964 59.018 0.012 0.000 1.781 37 C CB -0.525 27.242 27.740 0.045 0.000 2.464 37 C HN 0.899 nan 8.230 nan 0.000 0.559 38 G N 1.701 110.482 108.800 -0.032 0.000 2.258 38 G HA2 -0.263 3.699 3.960 0.003 0.000 0.274 38 G HA3 -0.263 3.699 3.960 0.003 0.000 0.274 38 G C 0.058 174.899 174.900 -0.099 0.000 1.021 38 G CA 0.033 45.099 45.100 -0.057 0.000 0.798 38 G HN 0.628 nan 8.290 nan 0.000 0.507 39 L N 0.749 121.914 121.223 -0.096 0.000 2.456 39 L HA 0.502 4.844 4.340 0.003 0.000 0.272 39 L C 1.313 178.111 176.870 -0.120 0.000 1.189 39 L CA 0.653 55.404 54.840 -0.148 0.000 0.846 39 L CB 0.688 42.691 42.059 -0.093 0.000 1.111 39 L HN 0.474 nan 8.230 nan 0.000 0.475 40 T N -2.667 111.794 114.554 -0.155 0.000 2.864 40 T HA 0.181 4.532 4.350 0.003 0.000 0.289 40 T C 0.635 175.281 174.700 -0.091 0.000 1.082 40 T CA -0.821 61.215 62.100 -0.107 0.000 1.009 40 T CB 1.625 70.425 68.868 -0.112 0.000 1.234 40 T HN 0.662 nan 8.240 nan 0.000 0.526 41 E N 0.114 120.279 120.200 -0.059 0.000 2.171 41 E HA -0.209 4.143 4.350 0.003 0.000 0.197 41 E C 2.069 178.640 176.600 -0.048 0.000 0.997 41 E CA 1.412 57.788 56.400 -0.039 0.000 0.810 41 E CB -0.456 29.227 29.700 -0.028 0.000 0.738 41 E HN 0.705 nan 8.360 nan 0.000 0.467 42 A N 1.466 124.241 122.820 -0.075 0.000 1.835 42 A HA -0.178 4.144 4.320 0.003 0.000 0.215 42 A C 2.173 179.706 177.584 -0.086 0.000 1.199 42 A CA 1.690 53.680 52.037 -0.079 0.000 0.615 42 A CB -0.555 18.381 19.000 -0.107 0.000 0.838 42 A HN 0.203 nan 8.150 nan 0.000 0.444 43 R N -1.203 119.178 120.500 -0.198 0.000 2.285 43 R HA -0.065 4.276 4.340 0.003 0.000 0.213 43 R C 1.899 178.204 176.300 0.009 0.000 1.068 43 R CA 0.882 56.835 56.100 -0.246 0.000 1.004 43 R CB -0.640 29.132 30.300 -0.880 0.000 0.873 43 R HN 0.613 nan 8.270 nan 0.000 0.467 44 C N 0.540 119.835 119.300 -0.009 0.000 2.448 44 C HA -0.041 4.421 4.460 0.003 0.000 0.280 44 C C 3.037 178.072 174.990 0.075 0.000 1.398 44 C CA 1.302 60.350 59.018 0.049 0.000 1.774 44 C CB -0.551 27.202 27.740 0.021 0.000 1.888 44 C HN 0.611 nan 8.230 nan 0.000 0.519 45 K N 0.719 121.156 120.400 0.061 0.000 2.025 45 K HA -0.155 4.167 4.320 0.003 0.000 0.207 45 K C 1.523 178.184 176.600 0.102 0.000 1.049 45 K CA 1.968 58.291 56.287 0.061 0.000 0.933 45 K CB -0.815 31.708 32.500 0.039 0.000 0.714 45 K HN 0.547 nan 8.250 nan 0.000 0.438 46 D N 0.462 120.966 120.400 0.174 0.000 2.144 46 D HA -0.050 4.592 4.640 0.003 0.000 0.200 46 D C 1.956 178.363 176.300 0.178 0.000 0.978 46 D CA 1.197 55.325 54.000 0.213 0.000 0.833 46 D CB -0.125 40.923 40.800 0.413 0.000 0.961 46 D HN 0.480 nan 8.370 nan 0.000 0.470 47 I N 0.778 121.491 120.570 0.238 0.000 2.208 47 I HA -0.274 3.898 4.170 0.003 0.000 0.245 47 I C 2.637 178.810 176.117 0.093 0.000 1.097 47 I CA 0.792 62.195 61.300 0.172 0.000 1.363 47 I CB -0.253 37.867 38.000 0.199 0.000 1.051 47 I HN -0.047 nan 8.210 nan 0.000 0.413 48 S N 0.355 116.106 115.700 0.085 0.000 2.351 48 S HA -0.220 4.252 4.470 0.003 0.000 0.220 48 S C 2.261 176.886 174.600 0.042 0.000 1.035 48 S CA 2.276 60.510 58.200 0.058 0.000 1.031 48 S CB -0.223 63.007 63.200 0.051 0.000 0.928 48 S HN 0.418 nan 8.310 nan 0.000 0.433 49 S N 1.432 117.157 115.700 0.041 0.000 2.370 49 S HA -0.037 4.435 4.470 0.003 0.000 0.226 49 S C 2.218 176.826 174.600 0.014 0.000 1.033 49 S CA 1.165 59.380 58.200 0.026 0.000 1.011 49 S CB -0.771 62.445 63.200 0.026 0.000 0.852 49 S HN 0.715 nan 8.310 nan 0.000 0.457 50 A N 1.448 124.275 122.820 0.012 0.000 1.902 50 A HA 0.012 4.334 4.320 0.003 0.000 0.217 50 A C 2.098 179.678 177.584 -0.007 0.000 1.181 50 A CA 1.112 53.142 52.037 -0.011 0.000 0.623 50 A CB -0.687 18.291 19.000 -0.035 0.000 0.818 50 A HN 0.461 nan 8.150 nan 0.000 0.443 51 L N -1.219 120.008 121.223 0.008 0.000 2.141 51 L HA -0.135 4.207 4.340 0.003 0.000 0.209 51 L C 2.723 179.597 176.870 0.007 0.000 1.094 51 L CA 1.122 55.967 54.840 0.008 0.000 0.763 51 L CB -0.497 41.574 42.059 0.020 0.000 0.908 51 L HN 0.356 nan 8.230 nan 0.000 0.437 52 R N 0.022 120.528 120.500 0.011 0.000 2.193 52 R HA -0.094 4.248 4.340 0.003 0.000 0.229 52 R C 1.697 177.999 176.300 0.004 0.000 1.110 52 R CA 1.349 57.455 56.100 0.010 0.000 0.988 52 R CB -0.189 30.119 30.300 0.013 0.000 0.871 52 R HN 0.391 nan 8.270 nan 0.000 0.458 53 V N -1.700 118.214 119.914 -0.001 0.000 3.342 53 V HA 0.214 4.336 4.120 0.003 0.000 0.322 53 V C -0.011 176.078 176.094 -0.009 0.000 1.370 53 V CA -0.419 61.878 62.300 -0.005 0.000 1.170 53 V CB -0.095 31.723 31.823 -0.009 0.000 1.101 53 V HN 0.048 nan 8.190 nan 0.000 0.442 54 N N 1.965 120.660 118.700 -0.008 0.000 2.707 54 N HA 0.416 5.158 4.740 0.003 0.000 0.235 54 N C -1.047 174.459 175.510 -0.008 0.000 1.028 54 N CA -1.014 52.029 53.050 -0.011 0.000 0.906 54 N CB 1.969 40.449 38.487 -0.013 0.000 1.131 54 N HN 0.278 nan 8.380 nan 0.000 0.509 55 P HA 0.158 nan 4.420 nan 0.000 0.247 55 P C 0.650 177.946 177.300 -0.007 0.000 1.225 55 P CA 1.294 64.391 63.100 -0.006 0.000 0.768 55 P CB 0.042 31.738 31.700 -0.005 0.000 1.020 56 A N -1.350 121.464 122.820 -0.009 0.000 2.288 56 A HA 0.384 4.706 4.320 0.003 0.000 0.216 56 A C 0.857 178.435 177.584 -0.010 0.000 1.199 56 A CA -0.037 51.994 52.037 -0.010 0.000 0.891 56 A CB -0.258 18.735 19.000 -0.012 0.000 0.923 56 A HN 0.339 nan 8.150 nan 0.000 0.500 57 L N 0.658 121.875 121.223 -0.009 0.000 2.667 57 L HA 0.188 4.530 4.340 0.003 0.000 0.278 57 L C 1.031 177.895 176.870 -0.010 0.000 1.217 57 L CA 0.958 55.792 54.840 -0.009 0.000 0.935 57 L CB 0.626 42.682 42.059 -0.006 0.000 1.193 57 L HN 0.261 nan 8.230 nan 0.000 0.493 58 A N 4.217 127.029 122.820 -0.013 0.000 2.141 58 A HA 0.249 4.571 4.320 0.003 0.000 0.201 58 A C 0.533 178.104 177.584 -0.022 0.000 1.344 58 A CA 0.247 52.274 52.037 -0.016 0.000 0.971 58 A CB 0.052 19.042 19.000 -0.016 0.000 1.035 58 A HN 0.706 nan 8.150 nan 0.000 0.480 59 E N -0.149 120.037 120.200 -0.023 0.000 2.278 59 E HA 0.528 4.880 4.350 0.003 0.000 0.272 59 E C -2.188 174.398 176.600 -0.024 0.000 0.890 59 E CA -0.639 55.742 56.400 -0.032 0.000 0.770 59 E CB 1.638 31.316 29.700 -0.037 0.000 1.212 59 E HN 0.152 nan 8.360 nan 0.000 0.415 60 L N 4.808 126.014 121.223 -0.028 0.000 2.372 60 L HA 0.553 4.895 4.340 0.003 0.000 0.274 60 L C -1.788 175.070 176.870 -0.020 0.000 0.988 60 L CA -0.416 54.416 54.840 -0.013 0.000 0.833 60 L CB 1.578 43.637 42.059 -0.001 0.000 1.236 60 L HN 0.547 nan 8.230 nan 0.000 0.410 61 N N 5.784 124.479 118.700 -0.007 0.000 2.531 61 N HA 0.377 5.119 4.740 0.003 0.000 0.268 61 N C -0.943 174.579 175.510 0.020 0.000 1.023 61 N CA -0.308 52.739 53.050 -0.005 0.000 0.896 61 N CB 1.197 39.677 38.487 -0.011 0.000 1.233 61 N HN 0.789 nan 8.380 nan 0.000 0.512 62 L N 3.492 124.731 121.223 0.026 0.000 3.202 62 L HA 0.309 4.651 4.340 0.003 0.000 0.278 62 L C 0.982 177.872 176.870 0.034 0.000 1.268 62 L CA -0.569 54.292 54.840 0.036 0.000 1.034 62 L CB -0.012 42.072 42.059 0.040 0.000 1.407 62 L HN 0.374 nan 8.230 nan 0.000 0.581 63 R N -0.702 119.820 120.500 0.036 0.000 2.756 63 R HA 0.147 4.489 4.340 0.003 0.000 0.264 63 R C 0.304 176.622 176.300 0.030 0.000 1.026 63 R CA 0.128 56.252 56.100 0.040 0.000 1.121 63 R CB 0.248 30.581 30.300 0.055 0.000 0.999 63 R HN 0.115 nan 8.270 nan 0.000 0.449 64 S N 1.080 116.794 115.700 0.024 0.000 3.783 64 S HA -0.127 4.345 4.470 0.003 0.000 0.360 64 S C -1.124 173.480 174.600 0.006 0.000 1.006 64 S CA 0.866 59.074 58.200 0.013 0.000 1.115 64 S CB -1.473 61.735 63.200 0.013 0.000 0.893 64 S HN 0.834 nan 8.310 nan 0.000 0.475 65 N N 1.114 119.817 118.700 0.005 0.000 2.310 65 N HA 0.160 4.902 4.740 0.003 0.000 0.292 65 N C -0.700 174.806 175.510 -0.007 0.000 1.049 65 N CA -0.603 52.444 53.050 -0.005 0.000 0.849 65 N CB 1.437 39.922 38.487 -0.004 0.000 1.532 65 N HN 0.334 nan 8.380 nan 0.000 0.479 66 E N 2.518 122.708 120.200 -0.017 0.000 1.999 66 E HA 0.089 4.441 4.350 0.003 0.000 0.296 66 E C 1.054 177.645 176.600 -0.015 0.000 1.187 66 E CA 0.019 56.411 56.400 -0.015 0.000 1.229 66 E CB 0.100 29.788 29.700 -0.020 0.000 1.131 66 E HN 0.440 nan 8.360 nan 0.000 0.478 67 L N 0.744 121.964 121.223 -0.005 0.000 2.095 67 L HA 0.061 4.403 4.340 0.003 0.000 0.204 67 L C 1.340 178.214 176.870 0.006 0.000 1.080 67 L CA 0.665 55.504 54.840 -0.001 0.000 0.759 67 L CB -0.791 41.275 42.059 0.012 0.000 0.914 67 L HN 0.574 nan 8.230 nan 0.000 0.439 68 G N 0.282 109.088 108.800 0.011 0.000 2.828 68 G HA2 -0.247 3.715 3.960 0.003 0.000 0.463 68 G HA3 -0.247 3.715 3.960 0.003 0.000 0.463 68 G C -0.068 174.850 174.900 0.029 0.000 1.394 68 G CA -0.080 45.029 45.100 0.015 0.000 0.862 68 G HN 0.166 nan 8.290 nan 0.000 0.540 69 D N -0.752 119.668 120.400 0.033 0.000 2.117 69 D HA -0.085 4.557 4.640 0.003 0.000 0.197 69 D C 2.732 179.083 176.300 0.084 0.000 0.987 69 D CA 1.679 55.709 54.000 0.050 0.000 0.829 69 D CB -0.200 40.627 40.800 0.045 0.000 0.961 69 D HN 0.313 nan 8.370 nan 0.000 0.460 70 V N 1.051 121.004 119.914 0.065 0.000 2.307 70 V HA -0.132 3.990 4.120 0.003 0.000 0.245 70 V C 2.601 178.731 176.094 0.060 0.000 1.045 70 V CA 1.991 64.329 62.300 0.062 0.000 1.024 70 V CB -1.002 30.831 31.823 0.017 0.000 0.651 70 V HN 0.220 nan 8.190 nan 0.000 0.449 71 G N -0.169 108.654 108.800 0.039 0.000 2.440 71 G HA2 -0.211 3.751 3.960 0.003 0.000 0.218 71 G HA3 -0.211 3.751 3.960 0.003 0.000 0.218 71 G C 1.679 176.614 174.900 0.058 0.000 1.154 71 G CA 1.260 46.380 45.100 0.033 0.000 0.767 71 G HN 0.373 nan 8.290 nan 0.000 0.552 72 V N 0.488 120.442 119.914 0.067 0.000 2.407 72 V HA -0.185 3.937 4.120 0.003 0.000 0.248 72 V C 2.515 178.678 176.094 0.114 0.000 1.055 72 V CA 2.006 64.348 62.300 0.071 0.000 1.049 72 V CB -0.565 31.288 31.823 0.051 0.000 0.662 72 V HN 0.520 nan 8.190 nan 0.000 0.455 73 H N -0.253 118.825 119.070 0.013 0.000 2.387 73 H HA -0.169 4.389 4.556 0.003 0.000 0.299 73 H C 2.285 177.622 175.328 0.015 0.000 1.090 73 H CA 2.048 58.104 56.048 0.013 0.000 1.332 73 H CB -0.486 29.283 29.762 0.011 0.000 1.386 73 H HN 0.454 nan 8.280 nan 0.000 0.516 74 C N -0.468 118.923 119.300 0.151 0.000 2.462 74 C HA -0.066 4.396 4.460 0.003 0.000 0.278 74 C C 3.125 178.166 174.990 0.085 0.000 1.253 74 C CA 0.853 59.913 59.018 0.070 0.000 1.713 74 C CB -0.919 26.838 27.740 0.028 0.000 2.049 74 C HN 0.375 nan 8.230 nan 0.000 0.477 75 V N 1.266 121.229 119.914 0.081 0.000 2.324 75 V HA -0.256 3.866 4.120 0.003 0.000 0.250 75 V C 2.352 178.486 176.094 0.066 0.000 1.060 75 V CA 1.992 64.333 62.300 0.069 0.000 1.042 75 V CB -0.671 31.189 31.823 0.061 0.000 0.650 75 V HN 0.561 nan 8.190 nan 0.000 0.450 76 L N -0.685 120.584 121.223 0.076 0.000 2.083 76 L HA -0.236 4.106 4.340 0.003 0.000 0.209 76 L C 2.620 179.532 176.870 0.069 0.000 1.083 76 L CA 1.554 56.430 54.840 0.060 0.000 0.752 76 L CB -0.605 41.478 42.059 0.041 0.000 0.899 76 L HN 0.393 nan 8.230 nan 0.000 0.433 77 Q N -0.341 119.523 119.800 0.106 0.000 2.291 77 Q HA -0.109 4.233 4.340 0.003 0.000 0.205 77 Q C 2.161 178.195 176.000 0.057 0.000 0.970 77 Q CA 1.047 56.905 55.803 0.091 0.000 0.876 77 Q CB -0.217 28.584 28.738 0.105 0.000 0.935 77 Q HN 0.602 nan 8.270 nan 0.000 0.455 78 G N 0.256 109.087 108.800 0.053 0.000 2.598 78 G HA2 -0.090 3.872 3.960 0.003 0.000 0.215 78 G HA3 -0.090 3.872 3.960 0.003 0.000 0.215 78 G C 1.140 176.058 174.900 0.030 0.000 1.131 78 G CA 0.208 45.332 45.100 0.039 0.000 0.785 78 G HN 0.205 nan 8.290 nan 0.000 0.539 79 L N -0.547 120.695 121.223 0.031 0.000 2.693 79 L HA 0.229 4.571 4.340 0.003 0.000 0.235 79 L C 1.111 177.993 176.870 0.020 0.000 1.127 79 L CA 0.023 54.876 54.840 0.022 0.000 0.914 79 L CB 0.346 42.416 42.059 0.019 0.000 1.193 79 L HN 0.144 nan 8.230 nan 0.000 0.502 80 Q N 1.927 121.742 119.800 0.026 0.000 3.181 80 Q HA 0.119 4.461 4.340 0.003 0.000 0.293 80 Q C -0.087 175.925 176.000 0.019 0.000 1.406 80 Q CA -0.080 55.737 55.803 0.023 0.000 1.026 80 Q CB 0.103 28.860 28.738 0.032 0.000 1.630 80 Q HN 0.262 nan 8.270 nan 0.000 0.553 81 T N -3.554 111.009 114.554 0.014 0.000 2.916 81 T HA 0.343 4.695 4.350 0.003 0.000 0.298 81 T C -1.991 172.714 174.700 0.008 0.000 1.031 81 T CA -1.894 60.212 62.100 0.011 0.000 0.993 81 T CB 1.811 70.685 68.868 0.010 0.000 1.045 81 T HN -0.020 nan 8.240 nan 0.000 0.454 82 P HA -0.115 nan 4.420 nan 0.000 0.220 82 P C 1.328 178.631 177.300 0.004 0.000 1.144 82 P CA 0.896 63.999 63.100 0.006 0.000 0.800 82 P CB 0.221 31.924 31.700 0.005 0.000 0.772 83 S N -1.458 114.245 115.700 0.004 0.000 2.501 83 S HA 0.005 4.477 4.470 0.003 0.000 0.220 83 S C 0.978 175.578 174.600 0.002 0.000 0.997 83 S CA -0.365 57.837 58.200 0.002 0.000 0.919 83 S CB -0.905 62.296 63.200 0.001 0.000 0.778 83 S HN 0.260 nan 8.310 nan 0.000 0.523 84 C N 2.939 122.241 119.300 0.003 0.000 2.538 84 C HA 0.479 4.941 4.460 0.003 0.000 0.408 84 C C 1.187 176.178 174.990 0.001 0.000 1.421 84 C CA 1.020 60.039 59.018 0.003 0.000 1.642 84 C CB -0.405 27.338 27.740 0.005 0.000 2.553 84 C HN 0.594 nan 8.230 nan 0.000 0.604 85 K N 5.686 126.085 120.400 -0.002 0.000 2.826 85 K HA 0.338 4.660 4.320 0.003 0.000 0.206 85 K C 0.085 176.682 176.600 -0.006 0.000 1.116 85 K CA -0.214 56.071 56.287 -0.003 0.000 1.045 85 K CB -0.078 32.419 32.500 -0.004 0.000 0.758 85 K HN 0.876 nan 8.250 nan 0.000 0.465 86 I N 0.724 121.290 120.570 -0.006 0.000 2.775 86 I HA -0.089 4.083 4.170 0.003 0.000 0.290 86 I C 1.268 177.377 176.117 -0.014 0.000 1.203 86 I CA 0.683 61.977 61.300 -0.010 0.000 1.433 86 I CB 1.461 39.456 38.000 -0.008 0.000 1.354 86 I HN 0.638 nan 8.210 nan 0.000 0.579 87 Q N 5.918 125.705 119.800 -0.021 0.000 2.431 87 Q HA 0.229 4.571 4.340 0.003 0.000 0.244 87 Q C -0.459 175.517 176.000 -0.039 0.000 0.880 87 Q CA 0.228 56.016 55.803 -0.026 0.000 0.954 87 Q CB 0.553 29.276 28.738 -0.025 0.000 1.105 87 Q HN 0.591 nan 8.270 nan 0.000 0.558 88 K N 0.850 121.218 120.400 -0.052 0.000 2.471 88 K HA 0.435 4.757 4.320 0.003 0.000 0.252 88 K C -1.838 174.708 176.600 -0.090 0.000 0.938 88 K CA -0.686 55.548 56.287 -0.088 0.000 0.796 88 K CB 2.469 34.904 32.500 -0.109 0.000 1.161 88 K HN -0.039 nan 8.250 nan 0.000 0.425 89 L N 1.370 122.530 121.223 -0.106 0.000 2.409 89 L HA 0.496 4.838 4.340 0.003 0.000 0.272 89 L C -1.280 175.529 176.870 -0.102 0.000 0.980 89 L CA -0.085 54.710 54.840 -0.076 0.000 0.826 89 L CB 2.151 44.193 42.059 -0.028 0.000 1.268 89 L HN 0.597 nan 8.230 nan 0.000 0.407 90 S N 5.282 120.935 115.700 -0.079 0.000 2.561 90 S HA 0.689 5.161 4.470 0.003 0.000 0.303 90 S C -0.399 174.217 174.600 0.026 0.000 1.110 90 S CA -0.500 57.682 58.200 -0.030 0.000 1.034 90 S CB 0.773 63.942 63.200 -0.052 0.000 1.010 90 S HN 0.712 nan 8.310 nan 0.000 0.482 91 L N 4.247 125.505 121.223 0.058 0.000 3.347 91 L HA 0.380 4.722 4.340 0.003 0.000 0.306 91 L C 0.507 177.414 176.870 0.062 0.000 1.301 91 L CA -0.241 54.630 54.840 0.051 0.000 0.985 91 L CB 0.600 42.685 42.059 0.044 0.000 1.400 91 L HN 0.669 nan 8.230 nan 0.000 0.601 92 Q N 1.475 121.324 119.800 0.082 0.000 2.300 92 Q HA -0.052 4.290 4.340 0.003 0.000 0.280 92 Q C 0.544 176.575 176.000 0.052 0.000 1.033 92 Q CA 0.264 56.115 55.803 0.080 0.000 0.903 92 Q CB 0.383 29.184 28.738 0.105 0.000 1.195 92 Q HN 0.299 nan 8.270 nan 0.000 0.386 93 N N 2.668 121.393 118.700 0.041 0.000 2.696 93 N HA -0.194 4.548 4.740 0.003 0.000 0.256 93 N C -1.309 174.211 175.510 0.018 0.000 1.031 93 N CA 0.812 53.874 53.050 0.021 0.000 0.730 93 N CB -1.323 37.172 38.487 0.012 0.000 0.894 93 N HN 0.614 nan 8.380 nan 0.000 0.544 94 C N -0.103 119.210 119.300 0.022 0.000 2.994 94 C HA 0.361 4.823 4.460 0.003 0.000 0.284 94 C C 1.157 176.155 174.990 0.014 0.000 1.404 94 C CA 0.102 59.130 59.018 0.018 0.000 1.775 94 C CB -1.729 26.026 27.740 0.025 0.000 2.458 94 C HN 0.835 nan 8.230 nan 0.000 0.593 95 C N 0.813 120.120 119.300 0.011 0.000 4.432 95 C HA -0.187 4.275 4.460 0.003 0.000 0.294 95 C C 0.216 175.215 174.990 0.015 0.000 1.398 95 C CA -0.041 58.982 59.018 0.009 0.000 1.988 95 C CB -3.035 24.707 27.740 0.003 0.000 1.251 95 C HN 0.709 nan 8.230 nan 0.000 0.791 96 L N 2.033 123.268 121.223 0.020 0.000 2.349 96 L HA 0.701 5.043 4.340 0.003 0.000 0.275 96 L C 0.695 177.577 176.870 0.021 0.000 1.115 96 L CA 1.390 56.244 54.840 0.022 0.000 0.820 96 L CB 1.079 43.153 42.059 0.026 0.000 1.135 96 L HN 0.528 nan 8.230 nan 0.000 0.445 97 T N 0.540 115.105 114.554 0.018 0.000 2.883 97 T HA 0.526 4.878 4.350 0.003 0.000 0.284 97 T C 1.003 175.711 174.700 0.014 0.000 1.041 97 T CA -0.264 61.846 62.100 0.017 0.000 1.007 97 T CB 1.026 69.903 68.868 0.015 0.000 1.220 97 T HN 0.633 nan 8.240 nan 0.000 0.552 98 G N -0.158 108.650 108.800 0.012 0.000 2.479 98 G HA2 0.042 4.004 3.960 0.003 0.000 0.220 98 G HA3 0.042 4.004 3.960 0.003 0.000 0.220 98 G C 1.556 176.459 174.900 0.005 0.000 1.115 98 G CA 0.760 45.865 45.100 0.008 0.000 0.757 98 G HN 1.164 nan 8.290 nan 0.000 0.560 99 A N 0.230 123.055 122.820 0.008 0.000 2.119 99 A HA 0.327 4.649 4.320 0.003 0.000 0.217 99 A C 2.319 179.907 177.584 0.006 0.000 1.153 99 A CA 1.605 53.647 52.037 0.009 0.000 0.692 99 A CB -0.200 18.809 19.000 0.015 0.000 0.799 99 A HN 0.497 nan 8.150 nan 0.000 0.458 100 G N -2.504 106.298 108.800 0.003 0.000 3.159 100 G HA2 0.162 4.124 3.960 0.003 0.000 0.232 100 G HA3 0.162 4.124 3.960 0.003 0.000 0.232 100 G C 0.917 175.798 174.900 -0.031 0.000 1.116 100 G CA 0.687 45.782 45.100 -0.009 0.000 0.767 100 G HN 0.429 nan 8.290 nan 0.000 0.547 101 C N 0.468 119.755 119.300 -0.021 0.000 2.468 101 C HA 0.170 4.632 4.460 0.003 0.000 0.277 101 C C 3.025 177.992 174.990 -0.038 0.000 1.400 101 C CA 0.595 59.600 59.018 -0.022 0.000 1.770 101 C CB -0.621 27.114 27.740 -0.008 0.000 1.905 101 C HN 0.491 nan 8.230 nan 0.000 0.519 102 G N 0.214 108.986 108.800 -0.048 0.000 2.421 102 G HA2 -0.198 3.764 3.960 0.003 0.000 0.216 102 G HA3 -0.198 3.764 3.960 0.003 0.000 0.216 102 G C 1.797 176.645 174.900 -0.087 0.000 1.171 102 G CA 1.251 46.318 45.100 -0.055 0.000 0.775 102 G HN 0.415 nan 8.290 nan 0.000 0.543 103 V N 0.272 120.093 119.914 -0.155 0.000 2.548 103 V HA 0.001 4.123 4.120 0.003 0.000 0.249 103 V C 2.592 178.611 176.094 -0.124 0.000 1.055 103 V CA 1.782 63.951 62.300 -0.218 0.000 1.065 103 V CB -0.075 31.432 31.823 -0.527 0.000 0.681 103 V HN 0.284 nan 8.190 nan 0.000 0.462 104 L N 0.401 121.572 121.223 -0.087 0.000 2.017 104 L HA -0.083 4.259 4.340 0.003 0.000 0.208 104 L C 2.684 179.537 176.870 -0.027 0.000 1.073 104 L CA 2.637 57.452 54.840 -0.041 0.000 0.745 104 L CB -1.073 40.974 42.059 -0.020 0.000 0.894 104 L HN 0.428 nan 8.230 nan 0.000 0.432 105 S N -1.208 114.475 115.700 -0.028 0.000 2.359 105 S HA -0.232 4.240 4.470 0.003 0.000 0.223 105 S C 2.128 176.718 174.600 -0.017 0.000 1.039 105 S CA 1.883 60.073 58.200 -0.017 0.000 1.042 105 S CB -0.499 62.690 63.200 -0.018 0.000 0.915 105 S HN 0.664 nan 8.310 nan 0.000 0.439 106 S N 0.500 116.183 115.700 -0.028 0.000 2.368 106 S HA -0.092 4.380 4.470 0.003 0.000 0.225 106 S C 2.013 176.604 174.600 -0.014 0.000 1.030 106 S CA 1.760 59.947 58.200 -0.022 0.000 0.999 106 S CB -0.884 62.298 63.200 -0.031 0.000 0.844 106 S HN 0.707 nan 8.310 nan 0.000 0.459 107 T N 2.998 117.541 114.554 -0.019 0.000 2.788 107 T HA 0.048 4.399 4.350 0.003 0.000 0.268 107 T C 1.725 176.425 174.700 0.001 0.000 1.044 107 T CA 0.886 62.982 62.100 -0.007 0.000 1.139 107 T CB -0.430 68.434 68.868 -0.008 0.000 0.867 107 T HN 0.279 nan 8.240 nan 0.000 0.454 108 L N 0.508 121.732 121.223 0.001 0.000 2.127 108 L HA -0.089 4.253 4.340 0.003 0.000 0.211 108 L C 2.757 179.633 176.870 0.010 0.000 1.089 108 L CA 1.299 56.145 54.840 0.009 0.000 0.757 108 L CB -0.589 41.479 42.059 0.014 0.000 0.899 108 L HN 0.182 nan 8.230 nan 0.000 0.434 109 R N -0.261 120.242 120.500 0.006 0.000 2.193 109 R HA -0.112 4.230 4.340 0.003 0.000 0.229 109 R C 1.778 178.082 176.300 0.007 0.000 1.110 109 R CA 1.662 57.766 56.100 0.006 0.000 0.988 109 R CB -0.374 29.928 30.300 0.002 0.000 0.871 109 R HN 0.478 nan 8.270 nan 0.000 0.458 110 T N -2.695 111.863 114.554 0.007 0.000 3.176 110 T HA 0.284 4.636 4.350 0.003 0.000 0.263 110 T C 0.458 175.162 174.700 0.008 0.000 1.021 110 T CA -0.221 61.883 62.100 0.007 0.000 0.905 110 T CB 0.179 69.052 68.868 0.007 0.000 1.057 110 T HN -0.013 nan 8.240 nan 0.000 0.558 111 L N 2.280 123.508 121.223 0.009 0.000 2.556 111 L HA 0.370 4.712 4.340 0.003 0.000 0.243 111 L C -1.689 175.187 176.870 0.010 0.000 1.331 111 L CA -2.053 52.792 54.840 0.009 0.000 0.927 111 L CB 1.544 43.608 42.059 0.008 0.000 1.219 111 L HN -0.054 nan 8.230 nan 0.000 0.490 112 P HA -0.173 nan 4.420 nan 0.000 0.221 112 P C 1.345 178.650 177.300 0.009 0.000 1.145 112 P CA 1.319 64.425 63.100 0.011 0.000 0.795 112 P CB 0.019 31.725 31.700 0.009 0.000 0.775 113 T N -3.397 111.160 114.554 0.005 0.000 3.067 113 T HA 0.026 4.378 4.350 0.003 0.000 0.261 113 T C 0.867 175.566 174.700 -0.002 0.000 1.110 113 T CA -0.256 61.844 62.100 0.001 0.000 1.113 113 T CB -0.826 68.041 68.868 -0.002 0.000 0.917 113 T HN -0.086 nan 8.240 nan 0.000 0.499 114 L N 2.208 123.432 121.223 0.002 0.000 2.477 114 L HA 0.248 4.590 4.340 0.003 0.000 0.272 114 L C 1.037 177.907 176.870 -0.000 0.000 1.157 114 L CA 0.463 55.303 54.840 -0.001 0.000 0.889 114 L CB 0.501 42.564 42.059 0.006 0.000 1.158 114 L HN 0.195 nan 8.230 nan 0.000 0.473 115 Q N 2.844 122.635 119.800 -0.015 0.000 2.391 115 Q HA 0.257 4.599 4.340 0.003 0.000 0.243 115 Q C -0.427 175.551 176.000 -0.037 0.000 0.874 115 Q CA 0.252 56.040 55.803 -0.025 0.000 0.950 115 Q CB 0.845 29.562 28.738 -0.034 0.000 1.103 115 Q HN 0.676 nan 8.270 nan 0.000 0.544 116 E N 0.934 121.112 120.200 -0.036 0.000 2.234 116 E HA 0.500 4.852 4.350 0.003 0.000 0.266 116 E C -1.743 174.844 176.600 -0.021 0.000 0.877 116 E CA -0.633 55.749 56.400 -0.030 0.000 0.758 116 E CB 2.531 32.194 29.700 -0.062 0.000 1.170 116 E HN -0.115 nan 8.360 nan 0.000 0.415 117 L N 2.740 124.006 121.223 0.071 0.000 2.439 117 L HA 0.346 4.688 4.340 0.003 0.000 0.270 117 L C -1.635 175.397 176.870 0.269 0.000 0.972 117 L CA -0.251 54.646 54.840 0.095 0.000 0.836 117 L CB 1.374 43.484 42.059 0.085 0.000 1.255 117 L HN 0.608 nan 8.230 nan 0.000 0.404 118 H N 6.399 125.480 119.070 0.018 0.000 2.551 118 H HA 0.456 5.014 4.556 0.003 0.000 0.321 118 H C -0.063 175.282 175.328 0.029 0.000 1.028 118 H CA -0.646 55.415 56.048 0.023 0.000 1.215 118 H CB 1.672 31.444 29.762 0.017 0.000 1.414 118 H HN 0.592 nan 8.280 nan 0.000 0.480 119 L N 1.969 123.274 121.223 0.136 0.000 3.069 119 L HA 0.173 4.515 4.340 0.003 0.000 0.271 119 L C 0.432 177.347 176.870 0.075 0.000 1.201 119 L CA -0.045 54.850 54.840 0.091 0.000 1.015 119 L CB 0.719 42.821 42.059 0.072 0.000 1.371 119 L HN 0.409 nan 8.230 nan 0.000 0.574 120 S N 0.542 116.284 115.700 0.070 0.000 2.569 120 S HA -0.044 4.428 4.470 0.003 0.000 0.274 120 S C 0.426 175.076 174.600 0.082 0.000 1.353 120 S CA 0.044 58.288 58.200 0.072 0.000 1.023 120 S CB 0.212 63.442 63.200 0.050 0.000 0.876 120 S HN 0.407 nan 8.310 nan 0.000 0.540 121 D N 1.056 121.524 120.400 0.113 0.000 2.723 121 D HA -0.148 4.494 4.640 0.003 0.000 0.236 121 D C -0.714 175.612 176.300 0.043 0.000 1.138 121 D CA 0.813 54.855 54.000 0.070 0.000 0.676 121 D CB -1.295 39.519 40.800 0.023 0.000 1.069 121 D HN 0.435 nan 8.370 nan 0.000 0.430 122 N N 0.397 119.132 118.700 0.058 0.000 2.249 122 N HA 0.295 5.037 4.740 0.003 0.000 0.296 122 N C -0.267 175.271 175.510 0.046 0.000 1.051 122 N CA -0.653 52.422 53.050 0.042 0.000 0.815 122 N CB 1.760 40.272 38.487 0.041 0.000 1.487 122 N HN -0.014 nan 8.380 nan 0.000 0.475 123 L N 3.519 124.762 121.223 0.034 0.000 2.376 123 L HA 0.204 4.546 4.340 0.003 0.000 0.250 123 L C 1.114 178.001 176.870 0.029 0.000 1.335 123 L CA 0.256 55.116 54.840 0.034 0.000 1.214 123 L CB -0.689 41.385 42.059 0.024 0.000 1.395 123 L HN 0.549 nan 8.230 nan 0.000 0.424 124 L N 2.001 123.243 121.223 0.032 0.000 2.109 124 L HA 0.195 4.537 4.340 0.003 0.000 0.207 124 L C 1.480 178.362 176.870 0.020 0.000 1.086 124 L CA 0.551 55.405 54.840 0.025 0.000 0.760 124 L CB -1.132 40.943 42.059 0.027 0.000 0.910 124 L HN 0.740 nan 8.230 nan 0.000 0.437 125 G N 0.347 109.160 108.800 0.022 0.000 2.888 125 G HA2 -0.251 3.711 3.960 0.003 0.000 0.441 125 G HA3 -0.251 3.711 3.960 0.003 0.000 0.441 125 G C -0.012 174.895 174.900 0.011 0.000 1.461 125 G CA -0.074 45.036 45.100 0.017 0.000 0.897 125 G HN 0.192 nan 8.290 nan 0.000 0.547 126 D N 0.199 120.603 120.400 0.007 0.000 2.144 126 D HA -0.029 4.613 4.640 0.003 0.000 0.199 126 D C 2.789 179.089 176.300 0.000 0.000 0.984 126 D CA 2.024 56.025 54.000 0.002 0.000 0.834 126 D CB -0.501 40.298 40.800 -0.001 0.000 0.955 126 D HN 0.845 nan 8.370 nan 0.000 0.465 127 A N 1.125 123.946 122.820 0.002 0.000 1.883 127 A HA -0.074 4.247 4.320 0.003 0.000 0.217 127 A C 2.408 179.992 177.584 0.000 0.000 1.186 127 A CA 2.245 54.282 52.037 0.000 0.000 0.624 127 A CB -1.171 17.829 19.000 0.002 0.000 0.822 127 A HN 0.303 nan 8.150 nan 0.000 0.444 128 G N -0.207 108.595 108.800 0.003 0.000 2.459 128 G HA2 -0.188 3.774 3.960 0.003 0.000 0.217 128 G HA3 -0.188 3.774 3.960 0.003 0.000 0.217 128 G C 1.504 176.405 174.900 0.003 0.000 1.183 128 G CA 1.283 46.385 45.100 0.004 0.000 0.776 128 G HN 0.535 nan 8.290 nan 0.000 0.552 129 L N 0.486 121.712 121.223 0.004 0.000 2.083 129 L HA -0.012 4.330 4.340 0.003 0.000 0.209 129 L C 2.883 179.751 176.870 -0.004 0.000 1.083 129 L CA 1.923 56.764 54.840 0.003 0.000 0.752 129 L CB -0.621 41.440 42.059 0.002 0.000 0.899 129 L HN 0.349 nan 8.230 nan 0.000 0.433 130 Q N -0.795 119.001 119.800 -0.006 0.000 2.084 130 Q HA -0.196 4.146 4.340 0.003 0.000 0.202 130 Q C 2.291 178.286 176.000 -0.009 0.000 0.978 130 Q CA 1.892 57.689 55.803 -0.009 0.000 0.844 130 Q CB -0.281 28.452 28.738 -0.008 0.000 0.898 130 Q HN 0.530 nan 8.270 nan 0.000 0.426 131 L N 0.237 121.456 121.223 -0.007 0.000 2.017 131 L HA -0.216 4.126 4.340 0.003 0.000 0.208 131 L C 2.329 179.194 176.870 -0.008 0.000 1.073 131 L CA 1.009 55.844 54.840 -0.009 0.000 0.745 131 L CB -0.466 41.587 42.059 -0.010 0.000 0.894 131 L HN 0.279 nan 8.230 nan 0.000 0.432 132 L N -0.953 120.267 121.223 -0.005 0.000 2.043 132 L HA -0.312 4.030 4.340 0.003 0.000 0.212 132 L C 2.738 179.607 176.870 -0.002 0.000 1.075 132 L CA 1.355 56.195 54.840 -0.001 0.000 0.752 132 L CB -0.753 41.311 42.059 0.007 0.000 0.891 132 L HN 0.431 nan 8.230 nan 0.000 0.432 133 C N -0.205 119.091 119.300 -0.008 0.000 2.410 133 C HA -0.145 4.316 4.460 0.003 0.000 0.281 133 C C 2.589 177.571 174.990 -0.014 0.000 1.318 133 C CA 0.588 59.597 59.018 -0.015 0.000 1.776 133 C CB -0.883 26.843 27.740 -0.024 0.000 1.942 133 C HN 0.513 nan 8.230 nan 0.000 0.508 134 E N 0.318 120.511 120.200 -0.012 0.000 2.085 134 E HA -0.133 4.219 4.350 0.003 0.000 0.194 134 E C 2.384 178.980 176.600 -0.007 0.000 0.994 134 E CA 1.448 57.842 56.400 -0.011 0.000 0.801 134 E CB -0.320 29.374 29.700 -0.010 0.000 0.743 134 E HN 0.754 nan 8.360 nan 0.000 0.453 135 G N 0.766 109.564 108.800 -0.005 0.000 2.408 135 G HA2 -0.166 3.796 3.960 0.003 0.000 0.215 135 G HA3 -0.166 3.796 3.960 0.003 0.000 0.215 135 G C 1.542 176.444 174.900 0.005 0.000 1.156 135 G CA 0.106 45.206 45.100 -0.001 0.000 0.793 135 G HN 0.073 nan 8.290 nan 0.000 0.535 136 L N -0.202 121.024 121.223 0.006 0.000 2.191 136 L HA 0.020 4.362 4.340 0.003 0.000 0.212 136 L C 2.534 179.406 176.870 0.003 0.000 1.103 136 L CA 0.210 55.057 54.840 0.013 0.000 0.769 136 L CB -0.244 41.821 42.059 0.010 0.000 0.908 136 L HN 0.173 nan 8.230 nan 0.000 0.438 137 L N -0.379 120.839 121.223 -0.008 0.000 2.395 137 L HA 0.020 4.362 4.340 0.003 0.000 0.218 137 L C 1.068 177.935 176.870 -0.005 0.000 1.130 137 L CA 0.923 55.756 54.840 -0.013 0.000 0.826 137 L CB -0.504 41.545 42.059 -0.018 0.000 0.941 137 L HN 0.148 nan 8.230 nan 0.000 0.451 138 D N -0.121 120.279 120.400 0.000 0.000 2.450 138 D HA -0.035 4.607 4.640 0.003 0.000 0.247 138 D C -1.574 174.730 176.300 0.007 0.000 1.162 138 D CA -1.146 52.856 54.000 0.003 0.000 0.879 138 D CB 1.669 42.472 40.800 0.004 0.000 1.163 138 D HN 0.064 nan 8.370 nan 0.000 0.472 139 P HA -0.173 nan 4.420 nan 0.000 0.218 139 P C 1.156 178.463 177.300 0.012 0.000 1.146 139 P CA 1.814 64.919 63.100 0.008 0.000 0.813 139 P CB 0.162 31.865 31.700 0.005 0.000 0.778 140 Q N -1.210 118.596 119.800 0.011 0.000 2.297 140 Q HA -0.042 4.300 4.340 0.003 0.000 0.204 140 Q C 1.353 177.363 176.000 0.017 0.000 0.962 140 Q CA 1.019 56.829 55.803 0.012 0.000 0.879 140 Q CB -1.514 27.230 28.738 0.009 0.000 0.947 140 Q HN 0.357 nan 8.270 nan 0.000 0.462 141 C N 1.805 121.117 119.300 0.021 0.000 2.482 141 C HA 0.560 5.022 4.460 0.003 0.000 0.378 141 C C 0.752 175.767 174.990 0.042 0.000 1.284 141 C CA -0.425 58.611 59.018 0.030 0.000 1.826 141 C CB -0.700 27.060 27.740 0.032 0.000 2.473 141 C HN 0.621 nan 8.230 nan 0.000 0.562 142 R N 4.449 124.976 120.500 0.045 0.000 2.748 142 R HA 0.220 4.562 4.340 0.003 0.000 0.395 142 R C -0.460 175.880 176.300 0.067 0.000 1.128 142 R CA -0.739 55.393 56.100 0.054 0.000 1.042 142 R CB 0.138 30.458 30.300 0.034 0.000 1.392 142 R HN 0.597 nan 8.270 nan 0.000 0.582 143 L N 1.641 122.922 121.223 0.096 0.000 2.514 143 L HA -0.049 4.293 4.340 0.003 0.000 0.280 143 L C 0.903 177.829 176.870 0.094 0.000 1.223 143 L CA 1.248 56.148 54.840 0.101 0.000 0.864 143 L CB 0.531 42.686 42.059 0.160 0.000 1.118 143 L HN 0.274 nan 8.230 nan 0.000 0.494 144 E N 2.655 122.802 120.200 -0.088 0.000 2.421 144 E HA 0.152 4.504 4.350 0.003 0.000 0.209 144 E C -0.348 175.819 176.600 -0.722 0.000 0.871 144 E CA 0.075 56.284 56.400 -0.318 0.000 1.064 144 E CB 0.627 30.222 29.700 -0.176 0.000 1.075 144 E HN 0.492 nan 8.360 nan 0.000 0.513 145 K N 1.292 121.442 120.400 -0.417 0.000 2.397 145 K HA 0.478 4.800 4.320 0.003 0.000 0.253 145 K C -1.566 174.969 176.600 -0.107 0.000 0.932 145 K CA -0.747 55.329 56.287 -0.351 0.000 0.795 145 K CB 2.599 35.011 32.500 -0.146 0.000 1.159 145 K HN -0.141 nan 8.250 nan 0.000 0.424 146 L N 2.404 123.616 121.223 -0.019 0.000 2.439 146 L HA 0.316 4.658 4.340 0.003 0.000 0.270 146 L C -1.514 175.411 176.870 0.091 0.000 0.972 146 L CA -0.125 54.803 54.840 0.146 0.000 0.836 146 L CB 1.957 44.211 42.059 0.325 0.000 1.255 146 L HN 0.574 nan 8.230 nan 0.000 0.404 147 Q N 6.026 125.854 119.800 0.045 0.000 2.333 147 Q HA 0.552 4.894 4.340 0.003 0.000 0.268 147 Q C -0.718 175.284 176.000 0.005 0.000 1.007 147 Q CA -0.362 55.413 55.803 -0.046 0.000 0.810 147 Q CB 2.298 30.874 28.738 -0.271 0.000 1.264 147 Q HN 0.689 nan 8.270 nan 0.000 0.452 148 L N 2.154 123.384 121.223 0.012 0.000 3.186 148 L HA 0.298 4.640 4.340 0.003 0.000 0.292 148 L C -0.027 176.854 176.870 0.018 0.000 1.303 148 L CA -0.116 54.740 54.840 0.027 0.000 0.940 148 L CB 0.741 42.818 42.059 0.031 0.000 1.358 148 L HN 0.602 nan 8.230 nan 0.000 0.581 149 E N 0.394 120.604 120.200 0.016 0.000 2.360 149 E HA 0.011 4.362 4.350 0.003 0.000 0.269 149 E C -0.580 176.094 176.600 0.123 0.000 1.022 149 E CA -0.323 56.084 56.400 0.011 0.000 0.887 149 E CB 0.377 30.088 29.700 0.020 0.000 0.990 149 E HN 0.181 nan 8.360 nan 0.000 0.426 150 Y N 1.526 121.832 120.300 0.011 0.000 3.027 150 Y HA -0.263 4.290 4.550 0.004 0.000 0.195 150 Y C 0.186 176.093 175.900 0.011 0.000 1.381 150 Y CA 0.188 58.296 58.100 0.013 0.000 1.015 150 Y CB -1.763 36.706 38.460 0.015 0.000 1.329 150 Y HN 0.548 nan 8.280 nan 0.000 0.462 151 C N -0.678 118.699 119.300 0.127 0.000 3.000 151 C HA 0.396 4.858 4.460 0.003 0.000 0.286 151 C C 1.420 176.449 174.990 0.066 0.000 1.343 151 C CA 0.374 59.444 59.018 0.086 0.000 1.742 151 C CB -0.596 27.178 27.740 0.057 0.000 2.200 151 C HN 0.850 nan 8.230 nan 0.000 0.621 152 S N 0.821 116.567 115.700 0.077 0.000 3.706 152 S HA -0.169 4.303 4.470 0.003 0.000 0.363 152 S C -0.133 174.484 174.600 0.029 0.000 0.999 152 S CA 0.331 58.564 58.200 0.055 0.000 1.143 152 S CB -1.496 61.735 63.200 0.051 0.000 0.902 152 S HN 0.626 nan 8.310 nan 0.000 0.476 153 L N 1.995 123.229 121.223 0.018 0.000 2.360 153 L HA 0.733 5.075 4.340 0.003 0.000 0.271 153 L C 0.735 177.603 176.870 -0.003 0.000 1.057 153 L CA -0.139 54.704 54.840 0.005 0.000 0.803 153 L CB 1.836 43.895 42.059 -0.001 0.000 1.207 153 L HN 0.493 nan 8.230 nan 0.000 0.445 154 S N 0.566 116.263 115.700 -0.006 0.000 2.810 154 S HA 0.611 5.083 4.470 0.003 0.000 0.315 154 S C 0.701 175.292 174.600 -0.014 0.000 1.138 154 S CA -0.110 58.084 58.200 -0.010 0.000 0.889 154 S CB 1.482 64.678 63.200 -0.006 0.000 1.236 154 S HN 0.629 nan 8.310 nan 0.000 0.548 155 A N 0.282 123.092 122.820 -0.016 0.000 2.070 155 A HA 0.231 4.553 4.320 0.003 0.000 0.220 155 A C 2.177 179.751 177.584 -0.017 0.000 1.159 155 A CA 1.684 53.710 52.037 -0.019 0.000 0.656 155 A CB -1.608 17.381 19.000 -0.019 0.000 0.800 155 A HN 1.413 nan 8.150 nan 0.000 0.453 156 A N 0.080 122.891 122.820 -0.014 0.000 2.125 156 A HA 0.002 4.324 4.320 0.003 0.000 0.219 156 A C 2.083 179.659 177.584 -0.014 0.000 1.156 156 A CA 1.864 53.894 52.037 -0.012 0.000 0.671 156 A CB -0.515 18.480 19.000 -0.009 0.000 0.794 156 A HN 1.016 nan 8.150 nan 0.000 0.459 157 S N -3.094 112.597 115.700 -0.015 0.000 2.629 157 S HA 0.075 4.547 4.470 0.003 0.000 0.236 157 S C 1.228 175.815 174.600 -0.023 0.000 1.010 157 S CA 0.453 58.643 58.200 -0.016 0.000 0.981 157 S CB -0.796 62.397 63.200 -0.011 0.000 0.919 157 S HN 0.449 nan 8.310 nan 0.000 0.514 158 C N 1.729 121.014 119.300 -0.025 0.000 2.450 158 C HA 0.118 4.580 4.460 0.003 0.000 0.279 158 C C 2.765 177.732 174.990 -0.038 0.000 1.335 158 C CA 1.098 60.096 59.018 -0.032 0.000 1.749 158 C CB -0.717 27.005 27.740 -0.031 0.000 1.963 158 C HN 0.732 nan 8.230 nan 0.000 0.501 159 E N 1.687 121.867 120.200 -0.033 0.000 2.072 159 E HA -0.100 4.252 4.350 0.003 0.000 0.191 159 E C -0.561 176.015 176.600 -0.040 0.000 0.985 159 E CA 1.802 58.181 56.400 -0.035 0.000 0.801 159 E CB -1.184 28.500 29.700 -0.028 0.000 0.750 159 E HN 0.361 nan 8.360 nan 0.000 0.452 160 P HA -0.121 nan 4.420 nan 0.000 0.216 160 P C 1.423 178.691 177.300 -0.053 0.000 1.153 160 P CA 0.889 63.967 63.100 -0.038 0.000 0.848 160 P CB -0.059 31.624 31.700 -0.029 0.000 0.787 161 L N -0.255 120.934 121.223 -0.057 0.000 2.083 161 L HA -0.091 4.251 4.340 0.003 0.000 0.209 161 L C 2.180 178.983 176.870 -0.113 0.000 1.083 161 L CA 1.903 56.693 54.840 -0.083 0.000 0.752 161 L CB -1.613 40.405 42.059 -0.069 0.000 0.899 161 L HN -0.125 nan 8.230 nan 0.000 0.433 162 A N -1.703 121.064 122.820 -0.088 0.000 1.933 162 A HA -0.179 4.143 4.320 0.003 0.000 0.218 162 A C 2.382 179.910 177.584 -0.093 0.000 1.175 162 A CA 1.919 53.901 52.037 -0.091 0.000 0.628 162 A CB -0.831 18.130 19.000 -0.064 0.000 0.814 162 A HN 0.513 nan 8.150 nan 0.000 0.444 163 S N -0.485 115.170 115.700 -0.075 0.000 2.383 163 S HA -0.103 4.369 4.470 0.003 0.000 0.227 163 S C 1.872 176.423 174.600 -0.081 0.000 1.026 163 S CA 1.282 59.443 58.200 -0.065 0.000 0.981 163 S CB -0.395 62.776 63.200 -0.048 0.000 0.818 163 S HN 0.348 nan 8.310 nan 0.000 0.472 164 V N 2.417 122.270 119.914 -0.103 0.000 2.261 164 V HA -0.166 3.956 4.120 0.003 0.000 0.246 164 V C 2.222 178.207 176.094 -0.183 0.000 1.047 164 V CA 1.581 63.806 62.300 -0.125 0.000 1.015 164 V CB -0.796 30.943 31.823 -0.141 0.000 0.642 164 V HN 0.423 nan 8.190 nan 0.000 0.446 165 L N -0.553 120.514 121.223 -0.261 0.000 2.013 165 L HA -0.253 4.089 4.340 0.003 0.000 0.212 165 L C 2.736 179.507 176.870 -0.166 0.000 1.073 165 L CA 1.849 56.496 54.840 -0.322 0.000 0.753 165 L CB -0.699 41.175 42.059 -0.308 0.000 0.890 165 L HN 0.232 nan 8.230 nan 0.000 0.432 166 R N -0.317 120.115 120.500 -0.113 0.000 2.193 166 R HA -0.106 4.236 4.340 0.003 0.000 0.229 166 R C 1.921 178.192 176.300 -0.049 0.000 1.110 166 R CA 1.140 57.200 56.100 -0.067 0.000 0.988 166 R CB -0.197 30.071 30.300 -0.054 0.000 0.871 166 R HN 0.373 nan 8.270 nan 0.000 0.458 167 A N 0.135 122.922 122.820 -0.056 0.000 2.308 167 A HA 0.093 4.415 4.320 0.003 0.000 0.217 167 A C -0.079 177.496 177.584 -0.015 0.000 1.216 167 A CA 0.104 52.123 52.037 -0.032 0.000 0.864 167 A CB 0.468 19.449 19.000 -0.031 0.000 0.902 167 A HN -0.099 nan 8.150 nan 0.000 0.499 168 K N 0.950 121.340 120.400 -0.018 0.000 2.473 168 K HA 0.275 4.597 4.320 0.003 0.000 0.246 168 K C -2.454 174.189 176.600 0.072 0.000 1.011 168 K CA -2.090 54.219 56.287 0.037 0.000 0.984 168 K CB 1.734 34.275 32.500 0.069 0.000 1.250 168 K HN 0.100 nan 8.250 nan 0.000 0.454 169 P HA -0.083 nan 4.420 nan 0.000 0.226 169 P C -0.084 177.262 177.300 0.077 0.000 1.153 169 P CA 0.859 63.993 63.100 0.056 0.000 0.777 169 P CB 0.507 32.227 31.700 0.034 0.000 0.794 170 D N -1.190 119.265 120.400 0.093 0.000 2.339 170 D HA 0.051 4.693 4.640 0.003 0.000 0.217 170 D C 0.409 176.769 176.300 0.100 0.000 1.050 170 D CA -0.206 53.840 54.000 0.077 0.000 0.856 170 D CB -0.458 40.372 40.800 0.050 0.000 0.922 170 D HN 0.123 nan 8.370 nan 0.000 0.518 171 F N 1.717 121.666 119.950 -0.002 0.000 2.572 171 F HA -0.000 4.529 4.527 0.003 0.000 0.370 171 F C 1.572 177.371 175.800 -0.002 0.000 1.103 171 F CA 0.747 58.746 58.000 -0.001 0.000 1.286 171 F CB 0.802 39.800 39.000 -0.003 0.000 1.105 171 F HN -0.303 nan 8.300 nan 0.000 0.583 172 K N 2.174 122.326 120.400 -0.412 0.000 2.443 172 K HA 0.195 4.517 4.320 0.003 0.000 0.200 172 K C -0.543 175.925 176.600 -0.220 0.000 1.278 172 K CA 0.065 56.221 56.287 -0.218 0.000 0.925 172 K CB 0.666 33.058 32.500 -0.180 0.000 1.225 172 K HN 0.535 nan 8.250 nan 0.000 0.514 173 E N 1.100 121.040 120.200 -0.434 0.000 2.275 173 E HA 0.373 4.725 4.350 0.003 0.000 0.270 173 E C -1.867 174.670 176.600 -0.106 0.000 0.882 173 E CA -0.715 55.564 56.400 -0.201 0.000 0.758 173 E CB 2.625 32.233 29.700 -0.154 0.000 1.195 173 E HN -0.129 nan 8.360 nan 0.000 0.419 174 L N 1.677 122.966 121.223 0.110 0.000 2.438 174 L HA 0.495 4.837 4.340 0.003 0.000 0.270 174 L C -1.416 175.503 176.870 0.082 0.000 0.972 174 L CA 0.025 54.994 54.840 0.215 0.000 0.831 174 L CB 2.286 44.555 42.059 0.349 0.000 1.273 174 L HN 0.445 nan 8.230 nan 0.000 0.405 175 T N 4.538 119.120 114.554 0.046 0.000 2.840 175 T HA 0.515 4.867 4.350 0.003 0.000 0.287 175 T C 0.090 174.790 174.700 -0.001 0.000 0.991 175 T CA -0.313 61.787 62.100 0.001 0.000 0.964 175 T CB 1.443 70.287 68.868 -0.039 0.000 0.954 175 T HN 0.367 nan 8.240 nan 0.000 0.438 176 V N 1.377 121.283 119.914 -0.014 0.000 3.166 176 V HA 0.190 4.312 4.120 0.003 0.000 0.332 176 V C 0.935 176.992 176.094 -0.062 0.000 1.434 176 V CA -0.566 61.718 62.300 -0.027 0.000 1.121 176 V CB -0.006 31.804 31.823 -0.021 0.000 1.062 176 V HN 0.807 nan 8.190 nan 0.000 0.489 177 S N 2.102 117.760 115.700 -0.071 0.000 2.559 177 S HA 0.091 4.563 4.470 0.003 0.000 0.282 177 S C 0.981 175.448 174.600 -0.222 0.000 1.336 177 S CA 0.236 58.368 58.200 -0.112 0.000 1.037 177 S CB -0.086 63.070 63.200 -0.074 0.000 0.853 177 S HN 0.740 nan 8.310 nan 0.000 0.523 178 N N 1.909 120.429 118.700 -0.299 0.000 2.738 178 N HA -0.169 4.573 4.740 0.003 0.000 0.249 178 N C -1.297 174.001 175.510 -0.354 0.000 1.047 178 N CA 0.539 53.271 53.050 -0.531 0.000 0.707 178 N CB -1.230 36.429 38.487 -1.380 0.000 0.937 178 N HN 0.566 nan 8.380 nan 0.000 0.545 179 N N 0.604 119.198 118.700 -0.177 0.000 2.336 179 N HA 0.126 4.868 4.740 0.003 0.000 0.290 179 N C -1.183 174.287 175.510 -0.066 0.000 1.058 179 N CA -0.492 52.507 53.050 -0.086 0.000 0.865 179 N CB 1.270 39.722 38.487 -0.058 0.000 1.581 179 N HN -0.056 nan 8.380 nan 0.000 0.480 180 D N 2.114 122.490 120.400 -0.039 0.000 2.801 180 D HA 0.107 4.749 4.640 0.003 0.000 0.232 180 D C 1.795 178.078 176.300 -0.029 0.000 1.128 180 D CA -0.104 53.876 54.000 -0.033 0.000 1.003 180 D CB -0.108 40.683 40.800 -0.016 0.000 1.110 180 D HN 0.580 nan 8.370 nan 0.000 0.477 181 I N -2.819 117.730 120.570 -0.035 0.000 2.761 181 I HA -0.102 4.070 4.170 0.003 0.000 0.261 181 I C 0.267 176.366 176.117 -0.031 0.000 1.198 181 I CA -0.116 61.166 61.300 -0.031 0.000 1.482 181 I CB -0.221 37.759 38.000 -0.034 0.000 1.100 181 I HN -0.087 nan 8.210 nan 0.000 0.445 182 N N 1.869 120.548 118.700 -0.036 0.000 6.461 182 N HA -0.335 4.407 4.740 0.003 0.000 0.395 182 N C 0.896 176.386 175.510 -0.034 0.000 0.932 182 N CA 1.376 54.405 53.050 -0.035 0.000 1.356 182 N CB -0.438 38.032 38.487 -0.028 0.000 0.799 182 N HN 0.559 nan 8.380 nan 0.000 0.402 183 E N 0.363 120.545 120.200 -0.031 0.000 2.049 183 E HA -0.204 4.148 4.350 0.003 0.000 0.198 183 E C 1.791 178.375 176.600 -0.027 0.000 1.007 183 E CA 2.139 58.521 56.400 -0.029 0.000 0.809 183 E CB -0.309 29.375 29.700 -0.026 0.000 0.749 183 E HN 0.585 nan 8.360 nan 0.000 0.450 184 A N 0.540 123.346 122.820 -0.024 0.000 1.902 184 A HA -0.089 4.233 4.320 0.003 0.000 0.217 184 A C 2.426 179.995 177.584 -0.024 0.000 1.181 184 A CA 1.797 53.821 52.037 -0.022 0.000 0.623 184 A CB -1.225 17.764 19.000 -0.019 0.000 0.818 184 A HN 0.481 nan 8.150 nan 0.000 0.443 185 G N -0.529 108.255 108.800 -0.026 0.000 2.421 185 G HA2 -0.114 3.848 3.960 0.003 0.000 0.216 185 G HA3 -0.114 3.848 3.960 0.003 0.000 0.216 185 G C 1.514 176.396 174.900 -0.031 0.000 1.171 185 G CA 1.254 46.338 45.100 -0.028 0.000 0.775 185 G HN 0.317 nan 8.290 nan 0.000 0.543 186 V N 1.142 121.036 119.914 -0.032 0.000 2.343 186 V HA -0.199 3.922 4.120 0.003 0.000 0.247 186 V C 2.779 178.854 176.094 -0.031 0.000 1.051 186 V CA 2.279 64.558 62.300 -0.034 0.000 1.036 186 V CB -0.536 31.265 31.823 -0.037 0.000 0.654 186 V HN 0.479 nan 8.190 nan 0.000 0.451 187 R N 0.312 120.795 120.500 -0.029 0.000 2.083 187 R HA -0.162 4.180 4.340 0.003 0.000 0.237 187 R C 2.103 178.387 176.300 -0.028 0.000 1.137 187 R CA 2.206 58.290 56.100 -0.027 0.000 0.951 187 R CB -0.733 29.553 30.300 -0.024 0.000 0.851 187 R HN 0.321 nan 8.270 nan 0.000 0.434 188 V N 1.099 120.996 119.914 -0.029 0.000 2.343 188 V HA -0.218 3.904 4.120 0.003 0.000 0.247 188 V C 2.410 178.482 176.094 -0.037 0.000 1.051 188 V CA 1.811 64.092 62.300 -0.031 0.000 1.036 188 V CB -0.449 31.355 31.823 -0.030 0.000 0.654 188 V HN 0.355 nan 8.190 nan 0.000 0.451 189 L N -0.866 120.334 121.223 -0.038 0.000 2.046 189 L HA -0.221 4.121 4.340 0.003 0.000 0.208 189 L C 2.607 179.452 176.870 -0.042 0.000 1.077 189 L CA 1.565 56.378 54.840 -0.045 0.000 0.747 189 L CB -0.662 41.373 42.059 -0.040 0.000 0.896 189 L HN 0.410 nan 8.230 nan 0.000 0.432 190 C N -0.649 118.630 119.300 -0.034 0.000 2.435 190 C HA -0.124 4.338 4.460 0.003 0.000 0.279 190 C C 2.821 177.793 174.990 -0.031 0.000 1.321 190 C CA 0.283 59.283 59.018 -0.029 0.000 1.752 190 C CB -0.682 27.042 27.740 -0.026 0.000 1.959 190 C HN 0.547 nan 8.230 nan 0.000 0.500 191 Q N 0.667 120.448 119.800 -0.032 0.000 2.079 191 Q HA -0.049 4.293 4.340 0.003 0.000 0.200 191 Q C 2.487 178.465 176.000 -0.037 0.000 0.974 191 Q CA 1.992 57.776 55.803 -0.031 0.000 0.840 191 Q CB -1.108 27.612 28.738 -0.029 0.000 0.898 191 Q HN 0.728 nan 8.270 nan 0.000 0.430 192 G N 0.868 109.640 108.800 -0.046 0.000 2.418 192 G HA2 -0.178 3.784 3.960 0.003 0.000 0.217 192 G HA3 -0.178 3.784 3.960 0.003 0.000 0.217 192 G C 1.579 176.443 174.900 -0.060 0.000 1.158 192 G CA 0.465 45.530 45.100 -0.059 0.000 0.771 192 G HN 0.260 nan 8.290 nan 0.000 0.545 193 L N -0.223 120.969 121.223 -0.052 0.000 2.056 193 L HA -0.022 4.320 4.340 0.003 0.000 0.207 193 L C 2.970 179.825 176.870 -0.025 0.000 1.078 193 L CA 1.226 56.044 54.840 -0.036 0.000 0.749 193 L CB -0.260 41.786 42.059 -0.020 0.000 0.901 193 L HN 0.173 nan 8.230 nan 0.000 0.433 194 K N -0.219 120.165 120.400 -0.027 0.000 2.057 194 K HA -0.153 4.169 4.320 0.003 0.000 0.206 194 K C 1.722 178.307 176.600 -0.024 0.000 1.050 194 K CA 1.409 57.681 56.287 -0.025 0.000 0.935 194 K CB -0.111 32.373 32.500 -0.027 0.000 0.715 194 K HN 0.200 nan 8.250 nan 0.000 0.439 195 D N 0.712 121.096 120.400 -0.027 0.000 2.178 195 D HA -0.073 4.569 4.640 0.003 0.000 0.202 195 D C 0.800 177.086 176.300 -0.022 0.000 0.974 195 D CA 0.634 54.620 54.000 -0.024 0.000 0.841 195 D CB -0.230 40.553 40.800 -0.028 0.000 0.953 195 D HN -0.009 nan 8.370 nan 0.000 0.478 196 S N 1.051 116.735 115.700 -0.027 0.000 2.562 196 S HA 0.067 4.539 4.470 0.003 0.000 0.281 196 S C -1.654 172.943 174.600 -0.004 0.000 1.333 196 S CA -1.121 57.066 58.200 -0.021 0.000 1.052 196 S CB 1.203 64.383 63.200 -0.033 0.000 0.884 196 S HN -0.048 nan 8.310 nan 0.000 0.506 197 P HA 0.127 nan 4.420 nan 0.000 0.249 197 P C 0.671 177.985 177.300 0.025 0.000 1.229 197 P CA -0.155 62.951 63.100 0.010 0.000 0.788 197 P CB -1.101 30.604 31.700 0.009 0.000 1.072 198 C N 0.215 119.539 119.300 0.040 0.000 2.634 198 C HA 0.146 4.608 4.460 0.003 0.000 0.417 198 C C 0.834 175.860 174.990 0.059 0.000 1.334 198 C CA -0.449 58.614 59.018 0.075 0.000 1.829 198 C CB -0.927 26.899 27.740 0.144 0.000 2.665 198 C HN 0.254 nan 8.230 nan 0.000 0.614 199 Q N 2.029 121.861 119.800 0.053 0.000 3.006 199 Q HA 0.311 4.653 4.340 0.003 0.000 0.260 199 Q C -0.131 175.890 176.000 0.035 0.000 1.356 199 Q CA -0.417 55.405 55.803 0.032 0.000 1.070 199 Q CB 0.397 29.146 28.738 0.019 0.000 1.507 199 Q HN 0.765 nan 8.270 nan 0.000 0.568 200 L N 1.578 122.833 121.223 0.053 0.000 2.578 200 L HA -0.127 4.215 4.340 0.003 0.000 0.279 200 L C 0.769 177.652 176.870 0.021 0.000 1.227 200 L CA 1.364 56.239 54.840 0.059 0.000 0.900 200 L CB 0.480 42.584 42.059 0.075 0.000 1.144 200 L HN 0.472 nan 8.230 nan 0.000 0.496 201 E N 3.637 123.838 120.200 0.001 0.000 2.330 201 E HA 0.348 4.700 4.350 0.003 0.000 0.200 201 E C -0.224 176.367 176.600 -0.015 0.000 0.922 201 E CA 0.425 56.817 56.400 -0.013 0.000 0.935 201 E CB 0.462 30.144 29.700 -0.030 0.000 0.917 201 E HN 0.683 nan 8.360 nan 0.000 0.491 202 A N 1.385 124.195 122.820 -0.016 0.000 2.455 202 A HA 0.617 4.939 4.320 0.003 0.000 0.300 202 A C -1.750 175.838 177.584 0.006 0.000 1.040 202 A CA -0.578 51.449 52.037 -0.017 0.000 0.697 202 A CB 1.459 20.434 19.000 -0.041 0.000 1.265 202 A HN 0.080 nan 8.150 nan 0.000 0.407 203 L N 1.653 122.881 121.223 0.008 0.000 2.439 203 L HA 0.634 4.976 4.340 0.003 0.000 0.270 203 L C -1.000 175.875 176.870 0.007 0.000 0.972 203 L CA -0.152 54.700 54.840 0.020 0.000 0.836 203 L CB 1.629 43.703 42.059 0.024 0.000 1.255 203 L HN 0.642 nan 8.230 nan 0.000 0.404 204 K N 6.676 127.078 120.400 0.003 0.000 2.413 204 K HA 0.583 4.905 4.320 0.003 0.000 0.257 204 K C -0.865 175.728 176.600 -0.013 0.000 0.946 204 K CA -0.465 55.821 56.287 -0.002 0.000 0.823 204 K CB 1.911 34.404 32.500 -0.011 0.000 1.109 204 K HN 0.601 nan 8.250 nan 0.000 0.427 205 L N 2.812 124.021 121.223 -0.022 0.000 3.186 205 L HA 0.215 4.557 4.340 0.003 0.000 0.317 205 L C -0.279 176.547 176.870 -0.073 0.000 1.296 205 L CA -0.276 54.536 54.840 -0.046 0.000 0.870 205 L CB 0.614 42.646 42.059 -0.044 0.000 1.302 205 L HN 0.511 nan 8.230 nan 0.000 0.590 206 E N 0.237 120.399 120.200 -0.063 0.000 2.373 206 E HA 0.189 4.541 4.350 0.003 0.000 0.267 206 E C 0.309 176.832 176.600 -0.128 0.000 1.032 206 E CA -0.215 56.122 56.400 -0.105 0.000 0.889 206 E CB 0.806 30.510 29.700 0.008 0.000 0.984 206 E HN 0.220 nan 8.360 nan 0.000 0.425 207 S N 0.885 116.479 115.700 -0.178 0.000 3.628 207 S HA -0.171 4.301 4.470 0.003 0.000 0.373 207 S C 0.180 174.703 174.600 -0.128 0.000 0.968 207 S CA 0.243 58.356 58.200 -0.145 0.000 1.215 207 S CB -1.447 61.688 63.200 -0.109 0.000 0.912 207 S HN 0.680 nan 8.310 nan 0.000 0.495 208 C N -0.076 119.155 119.300 -0.115 0.000 3.491 208 C HA 0.537 4.999 4.460 0.003 0.000 0.298 208 C C 1.853 176.799 174.990 -0.074 0.000 1.424 208 C CA 0.045 59.008 59.018 -0.091 0.000 1.772 208 C CB -0.439 27.252 27.740 -0.082 0.000 2.447 208 C HN 1.396 nan 8.230 nan 0.000 0.670 209 G N 1.473 110.226 108.800 -0.078 0.000 2.137 209 G HA2 -0.205 3.757 3.960 0.003 0.000 0.237 209 G HA3 -0.205 3.757 3.960 0.003 0.000 0.237 209 G C 0.019 174.883 174.900 -0.062 0.000 1.002 209 G CA 0.308 45.370 45.100 -0.063 0.000 0.702 209 G HN 0.400 nan 8.290 nan 0.000 0.515 210 V N 1.705 121.574 119.914 -0.074 0.000 2.585 210 V HA 0.505 4.627 4.120 0.003 0.000 0.296 210 V C 1.301 177.357 176.094 -0.064 0.000 1.035 210 V CA 0.766 63.026 62.300 -0.067 0.000 1.084 210 V CB 0.929 32.706 31.823 -0.076 0.000 0.953 210 V HN 0.828 nan 8.190 nan 0.000 0.483 211 T N 1.137 115.661 114.554 -0.050 0.000 2.937 211 T HA 0.319 4.670 4.350 0.003 0.000 0.283 211 T C 1.158 175.834 174.700 -0.041 0.000 1.012 211 T CA -0.098 61.975 62.100 -0.045 0.000 0.997 211 T CB 1.588 70.435 68.868 -0.036 0.000 1.136 211 T HN 0.416 nan 8.240 nan 0.000 0.551 212 S N 0.145 115.824 115.700 -0.036 0.000 2.383 212 S HA -0.127 4.345 4.470 0.003 0.000 0.229 212 S C 1.614 176.199 174.600 -0.026 0.000 1.030 212 S CA 1.709 59.890 58.200 -0.031 0.000 1.002 212 S CB -0.667 62.517 63.200 -0.027 0.000 0.829 212 S HN 0.930 nan 8.310 nan 0.000 0.467 213 D N 1.181 121.566 120.400 -0.025 0.000 2.144 213 D HA -0.048 4.594 4.640 0.003 0.000 0.200 213 D C 1.597 177.884 176.300 -0.022 0.000 0.978 213 D CA 1.028 55.015 54.000 -0.021 0.000 0.833 213 D CB -0.394 40.395 40.800 -0.020 0.000 0.961 213 D HN 0.416 nan 8.370 nan 0.000 0.470 214 N N -1.070 117.614 118.700 -0.027 0.000 2.272 214 N HA -0.140 4.602 4.740 0.003 0.000 0.185 214 N C 1.442 176.936 175.510 -0.026 0.000 1.014 214 N CA 0.740 53.773 53.050 -0.028 0.000 0.870 214 N CB -0.052 38.415 38.487 -0.034 0.000 0.975 214 N HN 0.252 nan 8.380 nan 0.000 0.433 215 C N 0.616 119.900 119.300 -0.026 0.000 2.422 215 C HA 0.004 4.466 4.460 0.003 0.000 0.286 215 C C 2.398 177.378 174.990 -0.017 0.000 1.412 215 C CA 0.296 59.301 59.018 -0.022 0.000 1.786 215 C CB -1.142 26.585 27.740 -0.023 0.000 1.835 215 C HN 0.433 nan 8.230 nan 0.000 0.533 216 R N 0.796 121.286 120.500 -0.016 0.000 2.073 216 R HA -0.112 4.230 4.340 0.003 0.000 0.234 216 R C 1.716 178.007 176.300 -0.014 0.000 1.134 216 R CA 1.509 57.601 56.100 -0.013 0.000 0.952 216 R CB -0.282 30.010 30.300 -0.012 0.000 0.850 216 R HN 0.575 nan 8.270 nan 0.000 0.433 217 D N 0.515 120.905 120.400 -0.018 0.000 2.149 217 D HA -0.080 4.562 4.640 0.003 0.000 0.201 217 D C 1.997 178.285 176.300 -0.020 0.000 0.972 217 D CA 0.863 54.851 54.000 -0.020 0.000 0.835 217 D CB 0.028 40.815 40.800 -0.021 0.000 0.966 217 D HN 0.175 nan 8.370 nan 0.000 0.476 218 L N 0.533 121.744 121.223 -0.019 0.000 2.131 218 L HA -0.146 4.195 4.340 0.003 0.000 0.210 218 L C 2.784 179.644 176.870 -0.015 0.000 1.092 218 L CA 0.557 55.387 54.840 -0.017 0.000 0.759 218 L CB -0.334 41.714 42.059 -0.018 0.000 0.903 218 L HN 0.167 nan 8.230 nan 0.000 0.435 219 C N 0.389 119.681 119.300 -0.014 0.000 2.429 219 C HA -0.112 4.350 4.460 0.003 0.000 0.277 219 C C 2.910 177.887 174.990 -0.022 0.000 1.262 219 C CA 1.027 60.039 59.018 -0.010 0.000 1.733 219 C CB -1.256 26.481 27.740 -0.004 0.000 2.010 219 C HN 0.649 nan 8.230 nan 0.000 0.483 220 G N 0.379 109.164 108.800 -0.025 0.000 2.422 220 G HA2 -0.141 3.821 3.960 0.003 0.000 0.218 220 G HA3 -0.141 3.821 3.960 0.003 0.000 0.218 220 G C 1.542 176.413 174.900 -0.049 0.000 1.146 220 G CA 1.181 46.258 45.100 -0.037 0.000 0.769 220 G HN 0.614 nan 8.290 nan 0.000 0.547 221 I N 0.322 120.870 120.570 -0.035 0.000 2.202 221 I HA -0.143 4.029 4.170 0.003 0.000 0.242 221 I C 2.750 178.844 176.117 -0.039 0.000 1.091 221 I CA 0.516 61.797 61.300 -0.032 0.000 1.368 221 I CB -0.281 37.708 38.000 -0.018 0.000 1.058 221 I HN 0.018 nan 8.210 nan 0.000 0.410 222 V N 1.104 120.999 119.914 -0.032 0.000 2.407 222 V HA -0.272 3.850 4.120 0.003 0.000 0.248 222 V C 2.607 178.662 176.094 -0.065 0.000 1.055 222 V CA 1.996 64.279 62.300 -0.028 0.000 1.049 222 V CB -0.936 30.883 31.823 -0.007 0.000 0.662 222 V HN 0.502 nan 8.190 nan 0.000 0.455 223 A N 0.231 122.984 122.820 -0.112 0.000 2.067 223 A HA -0.080 4.242 4.320 0.003 0.000 0.217 223 A C 2.343 179.699 177.584 -0.380 0.000 1.156 223 A CA 1.585 53.450 52.037 -0.288 0.000 0.683 223 A CB -0.315 18.526 19.000 -0.266 0.000 0.808 223 A HN 0.664 nan 8.150 nan 0.000 0.455 224 S N -1.583 113.999 115.700 -0.197 0.000 2.524 224 S HA 0.194 4.666 4.470 0.003 0.000 0.215 224 S C 0.360 174.911 174.600 -0.083 0.000 0.986 224 S CA -0.241 57.872 58.200 -0.146 0.000 0.911 224 S CB 0.202 63.345 63.200 -0.095 0.000 0.805 224 S HN 0.186 nan 8.310 nan 0.000 0.501 225 K N 2.139 122.500 120.400 -0.064 0.000 2.423 225 K HA 0.571 4.893 4.320 0.003 0.000 0.234 225 K C 0.694 177.283 176.600 -0.019 0.000 1.051 225 K CA 0.045 56.315 56.287 -0.028 0.000 1.021 225 K CB 0.782 33.275 32.500 -0.012 0.000 1.474 225 K HN 0.236 nan 8.250 nan 0.000 0.474 226 A N 1.501 124.313 122.820 -0.013 0.000 2.070 226 A HA -0.161 4.161 4.320 0.003 0.000 0.220 226 A C 1.931 179.520 177.584 0.008 0.000 1.159 226 A CA 2.046 54.086 52.037 0.005 0.000 0.656 226 A CB -0.218 18.792 19.000 0.016 0.000 0.800 226 A HN 0.594 nan 8.150 nan 0.000 0.453 227 S N -1.054 114.649 115.700 0.005 0.000 2.522 227 S HA 0.137 4.609 4.470 0.003 0.000 0.227 227 S C 0.587 175.188 174.600 0.003 0.000 0.986 227 S CA -0.064 58.139 58.200 0.004 0.000 0.929 227 S CB -0.637 62.566 63.200 0.005 0.000 0.769 227 S HN 0.332 nan 8.310 nan 0.000 0.529 228 L N 2.835 124.060 121.223 0.004 0.000 2.559 228 L HA 0.224 4.566 4.340 0.003 0.000 0.274 228 L C 1.216 178.088 176.870 0.004 0.000 1.205 228 L CA 0.286 55.129 54.840 0.004 0.000 0.907 228 L CB 0.323 42.385 42.059 0.004 0.000 1.153 228 L HN 0.062 nan 8.230 nan 0.000 0.490 229 R N 2.695 123.194 120.500 -0.002 0.000 2.342 229 R HA 0.257 4.599 4.340 0.003 0.000 0.204 229 R C -0.229 176.067 176.300 -0.007 0.000 0.882 229 R CA 0.181 56.278 56.100 -0.004 0.000 1.041 229 R CB 0.327 30.619 30.300 -0.013 0.000 1.188 229 R HN 0.749 nan 8.270 nan 0.000 0.598 230 E N 0.808 121.001 120.200 -0.012 0.000 2.275 230 E HA 0.338 4.690 4.350 0.003 0.000 0.270 230 E C -1.707 174.894 176.600 0.001 0.000 0.882 230 E CA -0.664 55.725 56.400 -0.017 0.000 0.758 230 E CB 1.535 31.201 29.700 -0.058 0.000 1.195 230 E HN -0.128 nan 8.360 nan 0.000 0.419 231 L N 4.008 125.248 121.223 0.028 0.000 2.406 231 L HA 0.687 5.029 4.340 0.003 0.000 0.270 231 L C -1.576 175.344 176.870 0.082 0.000 0.982 231 L CA -0.294 54.570 54.840 0.040 0.000 0.843 231 L CB 1.437 43.519 42.059 0.039 0.000 1.225 231 L HN 0.588 nan 8.230 nan 0.000 0.412 232 A N 5.823 128.686 122.820 0.072 0.000 2.271 232 A HA 0.748 5.070 4.320 0.003 0.000 0.317 232 A C -0.289 177.331 177.584 0.061 0.000 1.245 232 A CA -0.320 51.800 52.037 0.139 0.000 0.857 232 A CB 0.451 19.524 19.000 0.122 0.000 1.175 232 A HN 0.792 nan 8.150 nan 0.000 0.512 233 L N 3.326 124.559 121.223 0.018 0.000 3.431 233 L HA 0.269 4.611 4.340 0.003 0.000 0.316 233 L C 1.154 177.843 176.870 -0.301 0.000 1.305 233 L CA -0.406 54.370 54.840 -0.107 0.000 0.995 233 L CB 0.623 42.632 42.059 -0.083 0.000 1.411 233 L HN 0.819 nan 8.230 nan 0.000 0.610 234 G N -0.736 107.769 108.800 -0.491 0.000 2.554 234 G HA2 0.198 4.160 3.960 0.003 0.000 0.238 234 G HA3 0.198 4.160 3.960 0.003 0.000 0.238 234 G C 0.694 174.853 174.900 -1.236 0.000 1.259 234 G CA 0.538 44.800 45.100 -1.398 0.000 0.843 234 G HN 0.236 nan 8.290 nan 0.000 0.582 235 S N 0.106 115.029 115.700 -1.295 0.000 3.783 235 S HA -0.170 4.302 4.470 0.003 0.000 0.360 235 S C 0.089 174.466 174.600 -0.371 0.000 1.006 235 S CA 0.734 58.516 58.200 -0.698 0.000 1.115 235 S CB -1.628 61.206 63.200 -0.610 0.000 0.893 235 S HN 0.832 nan 8.310 nan 0.000 0.475 236 N N 0.801 119.313 118.700 -0.313 0.000 2.235 236 N HA 0.445 5.187 4.740 0.003 0.000 0.293 236 N C -0.148 175.272 175.510 -0.150 0.000 1.083 236 N CA -0.050 52.883 53.050 -0.195 0.000 0.801 236 N CB 1.607 39.986 38.487 -0.179 0.000 1.559 236 N HN 0.328 nan 8.380 nan 0.000 0.472 237 K N 2.337 122.674 120.400 -0.105 0.000 2.715 237 K HA 0.172 4.494 4.320 0.003 0.000 0.248 237 K C 1.421 177.978 176.600 -0.070 0.000 1.276 237 K CA 0.037 56.277 56.287 -0.079 0.000 1.209 237 K CB -1.482 30.983 32.500 -0.059 0.000 1.509 237 K HN 0.510 nan 8.250 nan 0.000 0.261 238 L N 0.383 121.557 121.223 -0.081 0.000 2.072 238 L HA 0.120 4.462 4.340 0.003 0.000 0.205 238 L C 1.625 178.466 176.870 -0.048 0.000 1.079 238 L CA 0.985 55.786 54.840 -0.065 0.000 0.752 238 L CB -0.904 41.112 42.059 -0.073 0.000 0.906 238 L HN 0.872 nan 8.230 nan 0.000 0.436 239 G N 0.286 109.057 108.800 -0.048 0.000 2.877 239 G HA2 -0.258 3.704 3.960 0.003 0.000 0.279 239 G HA3 -0.258 3.704 3.960 0.003 0.000 0.279 239 G C 0.004 174.888 174.900 -0.027 0.000 1.431 239 G CA -0.042 45.037 45.100 -0.035 0.000 0.883 239 G HN 0.228 nan 8.290 nan 0.000 0.547 240 D N -0.720 119.669 120.400 -0.019 0.000 2.178 240 D HA -0.069 4.573 4.640 0.003 0.000 0.202 240 D C 2.690 178.982 176.300 -0.012 0.000 0.974 240 D CA 1.437 55.429 54.000 -0.013 0.000 0.841 240 D CB -0.084 40.711 40.800 -0.009 0.000 0.953 240 D HN 0.285 nan 8.370 nan 0.000 0.478 241 V N 1.069 120.974 119.914 -0.014 0.000 2.358 241 V HA -0.148 3.974 4.120 0.003 0.000 0.246 241 V C 2.588 178.673 176.094 -0.015 0.000 1.047 241 V CA 2.001 64.293 62.300 -0.013 0.000 1.035 241 V CB -0.889 30.926 31.823 -0.014 0.000 0.658 241 V HN 0.226 nan 8.190 nan 0.000 0.452 242 G N -0.740 108.048 108.800 -0.021 0.000 2.418 242 G HA2 -0.339 3.623 3.960 0.003 0.000 0.217 242 G HA3 -0.339 3.623 3.960 0.003 0.000 0.217 242 G C 1.567 176.456 174.900 -0.018 0.000 1.158 242 G CA 1.300 46.386 45.100 -0.023 0.000 0.771 242 G HN 0.403 nan 8.290 nan 0.000 0.545 243 M N 1.625 121.215 119.600 -0.017 0.000 2.080 243 M HA 0.134 4.616 4.480 0.003 0.000 0.260 243 M C 2.687 178.985 176.300 -0.004 0.000 1.068 243 M CA 1.639 56.933 55.300 -0.010 0.000 1.109 243 M CB -0.559 32.036 32.600 -0.009 0.000 1.342 243 M HN 0.230 nan 8.290 nan 0.000 0.405 244 A N -1.004 121.814 122.820 -0.004 0.000 1.933 244 A HA -0.172 4.150 4.320 0.003 0.000 0.218 244 A C 2.066 179.651 177.584 0.001 0.000 1.175 244 A CA 2.002 54.039 52.037 -0.001 0.000 0.628 244 A CB -0.856 18.143 19.000 -0.002 0.000 0.814 244 A HN 0.536 nan 8.150 nan 0.000 0.444 245 E N -0.654 119.544 120.200 -0.003 0.000 2.153 245 E HA -0.103 4.249 4.350 0.003 0.000 0.194 245 E C 1.686 178.286 176.600 0.001 0.000 0.988 245 E CA 0.678 57.077 56.400 -0.003 0.000 0.811 245 E CB -0.214 29.481 29.700 -0.008 0.000 0.746 245 E HN 0.417 nan 8.360 nan 0.000 0.466 246 L N -0.553 120.670 121.223 0.000 0.000 2.131 246 L HA -0.091 4.251 4.340 0.003 0.000 0.206 246 L C 2.215 179.093 176.870 0.014 0.000 1.087 246 L CA 0.928 55.771 54.840 0.004 0.000 0.767 246 L CB -0.815 41.245 42.059 0.002 0.000 0.917 246 L HN 0.251 nan 8.230 nan 0.000 0.441 247 C N 0.171 119.479 119.300 0.014 0.000 2.391 247 C HA -0.167 4.295 4.460 0.003 0.000 0.276 247 C C 0.210 175.217 174.990 0.028 0.000 1.217 247 C CA 0.963 59.993 59.018 0.020 0.000 1.766 247 C CB -1.602 26.147 27.740 0.015 0.000 2.046 247 C HN 0.367 nan 8.230 nan 0.000 0.475 248 P HA -0.057 nan 4.420 nan 0.000 0.215 248 P C 1.580 178.921 177.300 0.068 0.000 1.153 248 P CA 2.320 65.445 63.100 0.041 0.000 0.853 248 P CB -0.327 31.393 31.700 0.034 0.000 0.788 249 G N -0.509 108.324 108.800 0.055 0.000 2.394 249 G HA2 -0.172 3.790 3.960 0.003 0.000 0.215 249 G HA3 -0.172 3.790 3.960 0.003 0.000 0.215 249 G C 1.438 176.383 174.900 0.074 0.000 1.165 249 G CA 0.293 45.429 45.100 0.060 0.000 0.784 249 G HN 0.214 nan 8.290 nan 0.000 0.535 250 L N -0.072 121.182 121.223 0.052 0.000 2.265 250 L HA 0.080 4.422 4.340 0.003 0.000 0.215 250 L C 2.503 179.407 176.870 0.057 0.000 1.117 250 L CA 0.409 55.278 54.840 0.048 0.000 0.782 250 L CB -0.165 41.916 42.059 0.036 0.000 0.914 250 L HN 0.183 nan 8.230 nan 0.000 0.441 251 L N -1.861 119.399 121.223 0.061 0.000 2.529 251 L HA 0.024 4.366 4.340 0.003 0.000 0.223 251 L C 1.214 178.117 176.870 0.055 0.000 1.113 251 L CA -0.245 54.622 54.840 0.045 0.000 0.861 251 L CB -0.339 41.736 42.059 0.026 0.000 1.012 251 L HN 0.241 nan 8.230 nan 0.000 0.461 252 H N 2.993 122.065 119.070 0.003 0.000 3.001 252 H HA -0.007 4.551 4.556 0.003 0.000 0.334 252 H C -1.502 173.828 175.328 0.002 0.000 1.034 252 H CA -1.061 54.988 56.048 0.002 0.000 1.420 252 H CB 1.443 31.207 29.762 0.003 0.000 1.405 252 H HN -0.052 nan 8.280 nan 0.000 0.593 253 P HA -0.131 nan 4.420 nan 0.000 0.218 253 P C 1.244 178.610 177.300 0.109 0.000 1.146 253 P CA 0.999 64.070 63.100 -0.048 0.000 0.813 253 P CB 0.338 31.953 31.700 -0.142 0.000 0.778 254 S N -0.594 115.324 115.700 0.362 0.000 2.428 254 S HA -0.025 4.446 4.470 0.003 0.000 0.230 254 S C 1.245 175.920 174.600 0.124 0.000 1.014 254 S CA 0.214 58.553 58.200 0.232 0.000 0.957 254 S CB -0.540 62.780 63.200 0.199 0.000 0.784 254 S HN 0.227 nan 8.310 nan 0.000 0.499 255 S N 1.443 117.224 115.700 0.135 0.000 2.533 255 S HA 0.194 4.666 4.470 0.003 0.000 0.282 255 S C 0.599 175.228 174.600 0.048 0.000 1.304 255 S CA -0.188 58.054 58.200 0.069 0.000 1.063 255 S CB 0.168 63.410 63.200 0.071 0.000 0.881 255 S HN 0.168 nan 8.310 nan 0.000 0.493 256 R N 3.244 123.763 120.500 0.032 0.000 2.615 256 R HA 0.180 4.522 4.340 0.003 0.000 0.448 256 R C -0.746 175.565 176.300 0.019 0.000 1.009 256 R CA -0.537 55.576 56.100 0.023 0.000 1.111 256 R CB -0.331 29.980 30.300 0.019 0.000 1.461 256 R HN 0.588 nan 8.270 nan 0.000 0.587 257 L N 2.018 123.255 121.223 0.024 0.000 2.640 257 L HA -0.035 4.307 4.340 0.003 0.000 0.280 257 L C 1.630 178.517 176.870 0.027 0.000 1.229 257 L CA 0.892 55.747 54.840 0.025 0.000 0.919 257 L CB 0.418 42.496 42.059 0.032 0.000 1.168 257 L HN 0.146 nan 8.230 nan 0.000 0.496 258 R N 2.092 122.606 120.500 0.023 0.000 2.156 258 R HA 0.137 4.479 4.340 0.003 0.000 0.207 258 R C -0.293 176.032 176.300 0.042 0.000 1.040 258 R CA 0.732 56.847 56.100 0.025 0.000 1.013 258 R CB 0.415 30.721 30.300 0.010 0.000 0.931 258 R HN 0.729 nan 8.270 nan 0.000 0.465 259 T N 1.439 116.017 114.554 0.041 0.000 2.841 259 T HA 0.381 4.733 4.350 0.003 0.000 0.285 259 T C -1.627 173.148 174.700 0.125 0.000 0.991 259 T CA -0.525 61.618 62.100 0.072 0.000 0.966 259 T CB 1.943 70.793 68.868 -0.030 0.000 0.962 259 T HN 0.005 nan 8.240 nan 0.000 0.438 260 L N 3.577 124.933 121.223 0.221 0.000 2.342 260 L HA 0.532 4.874 4.340 0.003 0.000 0.276 260 L C -1.502 175.598 176.870 0.383 0.000 0.997 260 L CA -0.600 54.373 54.840 0.221 0.000 0.838 260 L CB 0.873 43.015 42.059 0.138 0.000 1.224 260 L HN 0.786 nan 8.230 nan 0.000 0.416 261 W N 8.499 129.818 121.300 0.031 0.000 2.298 261 W HA 0.437 5.099 4.660 0.003 0.000 0.327 261 W C -0.303 176.249 176.519 0.054 0.000 0.988 261 W CA -0.731 56.666 57.345 0.087 0.000 1.448 261 W CB 1.369 30.891 29.460 0.104 0.000 1.243 261 W HN 0.565 nan 8.180 nan 0.000 0.388 262 I N 4.035 124.593 120.570 -0.020 0.000 2.954 262 I HA 0.267 4.439 4.170 0.003 0.000 0.312 262 I C 0.046 176.066 176.117 -0.162 0.000 1.391 262 I CA -0.640 60.584 61.300 -0.128 0.000 0.906 262 I CB -0.364 37.596 38.000 -0.067 0.000 2.079 262 I HN 0.092 nan 8.210 nan 0.000 0.618 263 W N 1.939 123.096 121.300 -0.239 0.000 2.237 263 W HA 0.425 5.088 4.660 0.004 0.000 0.335 263 W C 0.312 176.759 176.519 -0.120 0.000 1.230 263 W CA -0.867 56.347 57.345 -0.218 0.000 1.253 263 W CB 0.174 29.466 29.460 -0.280 0.000 1.129 263 W HN 0.593 nan 8.180 nan 0.000 0.590 264 E N 0.635 120.893 120.200 0.097 0.000 2.183 264 E HA -0.246 4.106 4.350 0.003 0.000 0.196 264 E C -0.183 176.320 176.600 -0.161 0.000 1.364 264 E CA 0.238 56.639 56.400 0.001 0.000 0.700 264 E CB -0.945 28.832 29.700 0.128 0.000 1.106 264 E HN 0.560 nan 8.360 nan 0.000 0.347 265 C N 0.808 120.026 119.300 -0.135 0.000 3.125 265 C HA 0.374 4.836 4.460 0.003 0.000 0.284 265 C C 1.522 176.459 174.990 -0.089 0.000 1.386 265 C CA 0.215 59.145 59.018 -0.147 0.000 1.763 265 C CB -0.380 27.268 27.740 -0.153 0.000 2.377 265 C HN 0.918 nan 8.230 nan 0.000 0.620 266 G N 1.897 110.659 108.800 -0.064 0.000 2.198 266 G HA2 -0.255 3.707 3.960 0.003 0.000 0.260 266 G HA3 -0.255 3.707 3.960 0.003 0.000 0.260 266 G C -0.069 174.810 174.900 -0.035 0.000 1.025 266 G CA 0.110 45.183 45.100 -0.044 0.000 0.769 266 G HN 0.596 nan 8.290 nan 0.000 0.507 267 I N 1.014 121.563 120.570 -0.034 0.000 2.532 267 I HA 0.565 4.737 4.170 0.003 0.000 0.292 267 I C 1.188 177.299 176.117 -0.010 0.000 1.014 267 I CA 0.261 61.549 61.300 -0.021 0.000 1.340 267 I CB 1.506 39.494 38.000 -0.020 0.000 1.422 267 I HN 0.356 nan 8.210 nan 0.000 0.528 268 T N 1.325 115.877 114.554 -0.002 0.000 2.724 268 T HA 0.555 4.907 4.350 0.003 0.000 0.274 268 T C 0.991 175.702 174.700 0.018 0.000 0.984 268 T CA -0.107 61.997 62.100 0.008 0.000 1.024 268 T CB 1.254 70.124 68.868 0.004 0.000 1.320 268 T HN 0.525 nan 8.240 nan 0.000 0.555 269 A N 0.462 123.296 122.820 0.024 0.000 1.986 269 A HA 0.073 4.395 4.320 0.003 0.000 0.220 269 A C 2.575 180.166 177.584 0.012 0.000 1.171 269 A CA 2.866 54.918 52.037 0.024 0.000 0.640 269 A CB -1.831 17.181 19.000 0.019 0.000 0.811 269 A HN 1.268 nan 8.150 nan 0.000 0.451 270 K N -1.035 119.370 120.400 0.007 0.000 2.002 270 K HA 0.009 4.331 4.320 0.003 0.000 0.209 270 K C 2.427 179.029 176.600 0.004 0.000 1.048 270 K CA 1.878 58.166 56.287 0.003 0.000 0.930 270 K CB -1.903 30.598 32.500 0.001 0.000 0.714 270 K HN 0.723 nan 8.250 nan 0.000 0.438 271 G N -0.070 108.732 108.800 0.004 0.000 2.432 271 G HA2 -0.245 3.717 3.960 0.003 0.000 0.219 271 G HA3 -0.245 3.717 3.960 0.003 0.000 0.219 271 G C 1.972 176.878 174.900 0.009 0.000 1.135 271 G CA 1.134 46.236 45.100 0.003 0.000 0.767 271 G HN 0.658 nan 8.290 nan 0.000 0.550 272 C N 0.910 120.220 119.300 0.016 0.000 2.429 272 C HA 0.080 4.542 4.460 0.003 0.000 0.277 272 C C 3.245 178.245 174.990 0.017 0.000 1.262 272 C CA 1.494 60.527 59.018 0.025 0.000 1.733 272 C CB -1.133 26.631 27.740 0.039 0.000 2.010 272 C HN 0.435 nan 8.230 nan 0.000 0.483 273 G N -0.183 108.622 108.800 0.008 0.000 2.440 273 G HA2 -0.229 3.733 3.960 0.003 0.000 0.218 273 G HA3 -0.229 3.733 3.960 0.003 0.000 0.218 273 G C 1.397 176.300 174.900 0.005 0.000 1.154 273 G CA 1.273 46.375 45.100 0.002 0.000 0.767 273 G HN 0.583 nan 8.290 nan 0.000 0.552 274 D N 0.213 120.617 120.400 0.007 0.000 2.084 274 D HA -0.070 4.572 4.640 0.003 0.000 0.194 274 D C 2.521 178.828 176.300 0.012 0.000 0.990 274 D CA 0.452 54.456 54.000 0.007 0.000 0.826 274 D CB -0.261 40.543 40.800 0.006 0.000 0.971 274 D HN 0.224 nan 8.370 nan 0.000 0.453 275 L N 0.660 121.892 121.223 0.015 0.000 2.079 275 L HA -0.222 4.120 4.340 0.003 0.000 0.210 275 L C 2.459 179.343 176.870 0.023 0.000 1.081 275 L CA 1.017 55.870 54.840 0.022 0.000 0.752 275 L CB -0.125 41.951 42.059 0.028 0.000 0.896 275 L HN 0.153 nan 8.230 nan 0.000 0.433 276 C N -0.653 118.659 119.300 0.019 0.000 2.410 276 C HA -0.150 4.312 4.460 0.003 0.000 0.281 276 C C 2.728 177.725 174.990 0.013 0.000 1.318 276 C CA 0.529 59.557 59.018 0.017 0.000 1.776 276 C CB -1.207 26.538 27.740 0.008 0.000 1.942 276 C HN 0.454 nan 8.230 nan 0.000 0.508 277 R N 0.143 120.650 120.500 0.011 0.000 2.092 277 R HA -0.086 4.256 4.340 0.003 0.000 0.231 277 R C 2.054 178.360 176.300 0.010 0.000 1.119 277 R CA 1.235 57.340 56.100 0.009 0.000 0.970 277 R CB -0.313 29.991 30.300 0.007 0.000 0.864 277 R HN 0.441 nan 8.270 nan 0.000 0.440 278 V N 1.409 121.332 119.914 0.015 0.000 2.323 278 V HA -0.209 3.913 4.120 0.003 0.000 0.244 278 V C 2.319 178.422 176.094 0.016 0.000 1.041 278 V CA 1.540 63.850 62.300 0.018 0.000 1.025 278 V CB -0.442 31.396 31.823 0.025 0.000 0.656 278 V HN 0.252 nan 8.190 nan 0.000 0.451 279 L N 0.599 121.834 121.223 0.020 0.000 2.042 279 L HA -0.223 4.119 4.340 0.003 0.000 0.210 279 L C 2.795 179.668 176.870 0.005 0.000 1.076 279 L CA 2.281 57.132 54.840 0.019 0.000 0.749 279 L CB -0.685 41.394 42.059 0.032 0.000 0.893 279 L HN 0.448 nan 8.230 nan 0.000 0.432 280 R N 0.116 120.619 120.500 0.006 0.000 2.235 280 R HA 0.021 4.363 4.340 0.003 0.000 0.213 280 R C 1.884 178.180 176.300 -0.006 0.000 1.059 280 R CA 1.039 57.139 56.100 0.001 0.000 0.997 280 R CB -0.302 30.002 30.300 0.006 0.000 0.884 280 R HN 0.239 nan 8.270 nan 0.000 0.462 281 A N 0.788 123.605 122.820 -0.004 0.000 2.140 281 A HA 0.201 4.523 4.320 0.003 0.000 0.209 281 A C 0.322 177.899 177.584 -0.011 0.000 1.181 281 A CA 0.056 52.089 52.037 -0.007 0.000 0.824 281 A CB 0.436 19.434 19.000 -0.003 0.000 0.879 281 A HN -0.013 nan 8.150 nan 0.000 0.480 282 K N 1.177 121.571 120.400 -0.010 0.000 2.414 282 K HA 0.303 4.625 4.320 0.003 0.000 0.251 282 K C -0.297 176.284 176.600 -0.033 0.000 1.037 282 K CA -0.126 56.154 56.287 -0.012 0.000 0.980 282 K CB 1.121 33.624 32.500 0.005 0.000 1.280 282 K HN 0.426 nan 8.250 nan 0.000 0.451 283 E N 0.306 120.474 120.200 -0.054 0.000 2.204 283 E HA -0.163 4.189 4.350 0.003 0.000 0.195 283 E C 1.322 177.876 176.600 -0.076 0.000 0.990 283 E CA 1.424 57.764 56.400 -0.100 0.000 0.821 283 E CB 0.246 29.880 29.700 -0.110 0.000 0.750 283 E HN 0.502 nan 8.360 nan 0.000 0.477 284 S N 0.638 116.316 115.700 -0.036 0.000 2.447 284 S HA -0.109 4.362 4.470 0.003 0.000 0.233 284 S C 0.951 175.551 174.600 -0.001 0.000 1.006 284 S CA 0.086 58.277 58.200 -0.015 0.000 0.957 284 S CB -0.101 63.099 63.200 -0.001 0.000 0.773 284 S HN 0.093 nan 8.310 nan 0.000 0.507 285 L N 2.613 123.838 121.223 0.004 0.000 2.407 285 L HA 0.324 4.666 4.340 0.003 0.000 0.282 285 L C 0.793 177.686 176.870 0.037 0.000 1.110 285 L CA 0.107 54.965 54.840 0.030 0.000 0.863 285 L CB 0.287 42.368 42.059 0.038 0.000 1.207 285 L HN -0.060 nan 8.230 nan 0.000 0.454 286 K N 3.191 123.624 120.400 0.055 0.000 2.335 286 K HA 0.261 4.583 4.320 0.003 0.000 0.195 286 K C -0.218 176.458 176.600 0.126 0.000 1.058 286 K CA 0.491 56.823 56.287 0.074 0.000 0.988 286 K CB 0.547 33.083 32.500 0.061 0.000 0.880 286 K HN 0.591 nan 8.250 nan 0.000 0.513 287 E N 1.031 121.317 120.200 0.144 0.000 2.224 287 E HA 0.406 4.758 4.350 0.003 0.000 0.265 287 E C -1.417 175.371 176.600 0.314 0.000 0.878 287 E CA -0.697 55.842 56.400 0.231 0.000 0.759 287 E CB 1.966 31.763 29.700 0.162 0.000 1.164 287 E HN -0.145 nan 8.360 nan 0.000 0.414 288 L N 1.688 123.122 121.223 0.350 0.000 2.455 288 L HA 0.561 4.903 4.340 0.003 0.000 0.264 288 L C -1.462 175.461 176.870 0.088 0.000 0.968 288 L CA -0.277 54.714 54.840 0.252 0.000 0.827 288 L CB 2.341 44.499 42.059 0.165 0.000 1.317 288 L HN 0.427 nan 8.230 nan 0.000 0.407 289 S N 4.726 120.296 115.700 -0.215 0.000 2.605 289 S HA 0.645 5.117 4.470 0.003 0.000 0.308 289 S C -0.211 174.246 174.600 -0.237 0.000 1.113 289 S CA -0.485 57.402 58.200 -0.522 0.000 1.049 289 S CB 0.794 62.943 63.200 -1.750 0.000 1.001 289 S HN 0.753 nan 8.310 nan 0.000 0.480 290 L N 3.606 124.773 121.223 -0.093 0.000 3.122 290 L HA 0.466 4.808 4.340 0.003 0.000 0.274 290 L C 1.000 177.850 176.870 -0.033 0.000 1.222 290 L CA -0.365 54.455 54.840 -0.033 0.000 1.028 290 L CB 0.211 42.284 42.059 0.024 0.000 1.386 290 L HN 0.756 nan 8.230 nan 0.000 0.578 291 A N -0.096 122.695 122.820 -0.047 0.000 2.555 291 A HA 0.376 4.698 4.320 0.003 0.000 0.233 291 A C 1.517 179.111 177.584 0.017 0.000 1.060 291 A CA 0.906 52.913 52.037 -0.050 0.000 0.759 291 A CB -0.178 18.789 19.000 -0.056 0.000 0.995 291 A HN 0.666 nan 8.150 nan 0.000 0.506 292 G N 1.311 110.089 108.800 -0.035 0.000 2.155 292 G HA2 -0.231 3.731 3.960 0.003 0.000 0.257 292 G HA3 -0.231 3.731 3.960 0.003 0.000 0.257 292 G C 0.058 174.952 174.900 -0.010 0.000 0.983 292 G CA 0.381 45.486 45.100 0.009 0.000 0.676 292 G HN 0.871 nan 8.290 nan 0.000 0.528 293 N N 0.325 118.995 118.700 -0.049 0.000 2.399 293 N HA 0.326 5.068 4.740 0.003 0.000 0.295 293 N C -0.152 175.313 175.510 -0.075 0.000 1.048 293 N CA -0.469 52.553 53.050 -0.047 0.000 0.886 293 N CB 1.464 39.931 38.487 -0.033 0.000 1.185 293 N HN 0.424 nan 8.380 nan 0.000 0.487 294 E N 3.269 123.439 120.200 -0.051 0.000 1.999 294 E HA 0.049 4.401 4.350 0.003 0.000 0.296 294 E C 0.788 177.379 176.600 -0.016 0.000 1.187 294 E CA -0.094 56.278 56.400 -0.047 0.000 1.229 294 E CB -0.386 29.298 29.700 -0.026 0.000 1.131 294 E HN 0.524 nan 8.360 nan 0.000 0.478 295 L N 2.287 123.501 121.223 -0.016 0.000 2.072 295 L HA 0.123 4.465 4.340 0.003 0.000 0.205 295 L C 1.394 178.357 176.870 0.155 0.000 1.079 295 L CA 0.682 55.575 54.840 0.089 0.000 0.752 295 L CB -0.875 41.299 42.059 0.192 0.000 0.906 295 L HN 0.687 nan 8.230 nan 0.000 0.436 296 G N 0.213 109.128 108.800 0.191 0.000 2.860 296 G HA2 -0.249 3.713 3.960 0.003 0.000 0.553 296 G HA3 -0.249 3.713 3.960 0.003 0.000 0.553 296 G C -0.015 175.085 174.900 0.333 0.000 1.439 296 G CA -0.105 45.135 45.100 0.233 0.000 0.879 296 G HN 0.218 nan 8.290 nan 0.000 0.545 297 D N 0.230 120.749 120.400 0.198 0.000 2.221 297 D HA -0.078 4.564 4.640 0.003 0.000 0.204 297 D C 2.226 178.478 176.300 -0.079 0.000 0.982 297 D CA 1.458 55.478 54.000 0.034 0.000 0.857 297 D CB 0.067 40.878 40.800 0.018 0.000 0.934 297 D HN 0.508 nan 8.370 nan 0.000 0.475 298 E N 0.496 120.685 120.200 -0.017 0.000 2.051 298 E HA -0.102 4.250 4.350 0.003 0.000 0.192 298 E C 2.272 178.834 176.600 -0.063 0.000 0.991 298 E CA 0.963 57.330 56.400 -0.054 0.000 0.799 298 E CB -0.665 29.028 29.700 -0.012 0.000 0.748 298 E HN 0.351 nan 8.360 nan 0.000 0.449 299 G N 1.244 110.060 108.800 0.027 0.000 2.421 299 G HA2 -0.214 3.748 3.960 0.003 0.000 0.216 299 G HA3 -0.214 3.748 3.960 0.003 0.000 0.216 299 G C 1.771 176.653 174.900 -0.031 0.000 1.171 299 G CA 1.484 46.620 45.100 0.059 0.000 0.775 299 G HN 0.397 nan 8.290 nan 0.000 0.543 300 A N 0.785 123.521 122.820 -0.140 0.000 1.892 300 A HA -0.122 4.200 4.320 0.003 0.000 0.218 300 A C 2.330 179.569 177.584 -0.575 0.000 1.188 300 A CA 2.073 53.790 52.037 -0.533 0.000 0.631 300 A CB -0.576 17.875 19.000 -0.915 0.000 0.822 300 A HN 0.373 nan 8.150 nan 0.000 0.447 301 R N -0.329 119.833 120.500 -0.563 0.000 2.083 301 R HA -0.136 4.206 4.340 0.003 0.000 0.237 301 R C 2.095 178.204 176.300 -0.317 0.000 1.137 301 R CA 1.835 57.553 56.100 -0.637 0.000 0.951 301 R CB -0.489 29.455 30.300 -0.593 0.000 0.851 301 R HN 0.552 nan 8.270 nan 0.000 0.434 302 L N 0.651 121.752 121.223 -0.202 0.000 2.012 302 L HA -0.236 4.106 4.340 0.003 0.000 0.210 302 L C 2.576 179.389 176.870 -0.095 0.000 1.073 302 L CA 1.319 56.094 54.840 -0.108 0.000 0.748 302 L CB -0.528 41.495 42.059 -0.060 0.000 0.891 302 L HN 0.278 nan 8.230 nan 0.000 0.431 303 L N -1.024 120.133 121.223 -0.110 0.000 2.017 303 L HA -0.260 4.082 4.340 0.003 0.000 0.208 303 L C 2.757 179.563 176.870 -0.107 0.000 1.073 303 L CA 1.314 56.114 54.840 -0.068 0.000 0.745 303 L CB -0.614 41.435 42.059 -0.018 0.000 0.894 303 L HN 0.406 nan 8.230 nan 0.000 0.432 304 C N -0.327 118.827 119.300 -0.244 0.000 2.425 304 C HA -0.136 4.326 4.460 0.003 0.000 0.277 304 C C 2.630 177.570 174.990 -0.083 0.000 1.280 304 C CA 0.526 59.415 59.018 -0.214 0.000 1.744 304 C CB -0.774 26.754 27.740 -0.354 0.000 1.989 304 C HN 0.506 nan 8.230 nan 0.000 0.491 305 E N 0.247 120.404 120.200 -0.072 0.000 2.085 305 E HA -0.187 4.165 4.350 0.003 0.000 0.194 305 E C 2.131 178.725 176.600 -0.010 0.000 0.994 305 E CA 1.761 58.147 56.400 -0.024 0.000 0.801 305 E CB -0.193 29.492 29.700 -0.026 0.000 0.743 305 E HN 0.605 nan 8.360 nan 0.000 0.453 306 T N 1.090 115.636 114.554 -0.013 0.000 2.857 306 T HA -0.053 4.299 4.350 0.003 0.000 0.266 306 T C 1.761 176.478 174.700 0.029 0.000 1.048 306 T CA 0.621 62.726 62.100 0.008 0.000 1.139 306 T CB -0.045 68.828 68.868 0.009 0.000 0.874 306 T HN 0.078 nan 8.240 nan 0.000 0.455 307 L N 0.512 121.753 121.223 0.031 0.000 2.551 307 L HA 0.158 4.500 4.340 0.003 0.000 0.228 307 L C 1.511 178.426 176.870 0.076 0.000 1.153 307 L CA 0.639 55.520 54.840 0.068 0.000 0.851 307 L CB -0.231 41.874 42.059 0.076 0.000 0.959 307 L HN 0.245 nan 8.230 nan 0.000 0.451 308 L N -1.084 120.167 121.223 0.047 0.000 2.728 308 L HA 0.218 4.560 4.340 0.003 0.000 0.238 308 L C 0.263 177.163 176.870 0.050 0.000 1.143 308 L CA 0.002 54.869 54.840 0.046 0.000 0.937 308 L CB 0.213 42.285 42.059 0.022 0.000 1.225 308 L HN 0.179 nan 8.230 nan 0.000 0.507 309 E N 1.157 121.391 120.200 0.056 0.000 2.244 309 E HA 0.361 4.713 4.350 0.003 0.000 0.266 309 E C -2.277 174.366 176.600 0.072 0.000 0.914 309 E CA -2.040 54.392 56.400 0.052 0.000 0.794 309 E CB 1.685 31.404 29.700 0.033 0.000 1.210 309 E HN -0.117 nan 8.360 nan 0.000 0.414 310 P HA 0.014 nan 4.420 nan 0.000 0.269 310 P C 0.541 177.867 177.300 0.043 0.000 1.215 310 P CA 0.529 63.680 63.100 0.085 0.000 0.780 310 P CB 0.952 32.694 31.700 0.070 0.000 0.898 311 G N 0.775 109.584 108.800 0.015 0.000 2.475 311 G HA2 -0.235 3.727 3.960 0.003 0.000 0.209 311 G HA3 -0.235 3.727 3.960 0.003 0.000 0.209 311 G C 0.131 174.974 174.900 -0.094 0.000 1.127 311 G CA -0.021 45.056 45.100 -0.038 0.000 0.681 311 G HN 0.835 nan 8.290 nan 0.000 0.517 312 C N 2.787 122.053 119.300 -0.057 0.000 2.442 312 C HA 0.693 5.155 4.460 0.003 0.000 0.362 312 C C 1.312 176.192 174.990 -0.183 0.000 1.242 312 C CA 0.359 59.335 59.018 -0.069 0.000 1.741 312 C CB -0.246 27.501 27.740 0.011 0.000 2.378 312 C HN 0.545 nan 8.230 nan 0.000 0.549 313 Q N 3.883 123.495 119.800 -0.314 0.000 2.186 313 Q HA 0.168 4.510 4.340 0.003 0.000 0.241 313 Q C -0.068 175.851 176.000 -0.135 0.000 0.849 313 Q CA -0.554 54.906 55.803 -0.571 0.000 1.053 313 Q CB 0.477 28.697 28.738 -0.864 0.000 1.146 313 Q HN 0.764 nan 8.270 nan 0.000 0.475 314 L N 1.432 122.654 121.223 -0.000 0.000 2.615 314 L HA -0.131 4.211 4.340 0.003 0.000 0.284 314 L C 0.857 177.821 176.870 0.156 0.000 1.237 314 L CA 1.367 56.260 54.840 0.089 0.000 0.905 314 L CB 0.602 42.731 42.059 0.118 0.000 1.149 314 L HN 0.177 nan 8.230 nan 0.000 0.499 315 E N 1.148 121.447 120.200 0.164 0.000 2.340 315 E HA 0.119 4.471 4.350 0.003 0.000 0.198 315 E C -0.173 176.560 176.600 0.221 0.000 0.961 315 E CA 0.200 56.717 56.400 0.194 0.000 0.905 315 E CB 0.624 30.425 29.700 0.168 0.000 0.884 315 E HN 0.571 nan 8.360 nan 0.000 0.491 316 S N 0.635 116.483 115.700 0.246 0.000 2.614 316 S HA 0.499 4.970 4.470 0.003 0.000 0.288 316 S C -1.725 173.094 174.600 0.365 0.000 1.137 316 S CA -0.749 57.650 58.200 0.332 0.000 0.992 316 S CB 1.045 64.473 63.200 0.380 0.000 1.026 316 S HN 0.090 nan 8.310 nan 0.000 0.486 317 L N 5.406 126.843 121.223 0.357 0.000 2.343 317 L HA 0.740 5.082 4.340 0.003 0.000 0.278 317 L C -1.970 175.066 176.870 0.277 0.000 0.996 317 L CA -0.203 54.819 54.840 0.303 0.000 0.831 317 L CB 1.022 43.222 42.059 0.236 0.000 1.232 317 L HN 0.787 nan 8.230 nan 0.000 0.413 318 W N 5.732 127.005 121.300 -0.046 0.000 2.278 318 W HA 0.559 5.220 4.660 0.003 0.000 0.317 318 W C 0.078 176.498 176.519 -0.164 0.000 1.030 318 W CA -0.715 56.524 57.345 -0.177 0.000 1.334 318 W CB 1.689 30.937 29.460 -0.352 0.000 1.215 318 W HN 0.403 nan 8.180 nan 0.000 0.405 319 V N 1.991 121.854 119.914 -0.084 0.000 2.792 319 V HA 0.256 4.378 4.120 0.003 0.000 0.360 319 V C 0.201 176.174 176.094 -0.203 0.000 1.306 319 V CA -1.031 61.237 62.300 -0.054 0.000 1.245 319 V CB -0.900 31.054 31.823 0.219 0.000 1.382 319 V HN 0.368 nan 8.190 nan 0.000 0.636 320 K N -0.483 119.761 120.400 -0.261 0.000 2.237 320 K HA 0.587 4.909 4.320 0.003 0.000 0.270 320 K C 0.434 176.890 176.600 -0.239 0.000 1.015 320 K CA 0.318 56.441 56.287 -0.272 0.000 0.949 320 K CB 0.932 33.237 32.500 -0.325 0.000 0.976 320 K HN 0.251 nan 8.250 nan 0.000 0.472 321 S N 0.574 116.139 115.700 -0.224 0.000 3.711 321 S HA -0.139 4.333 4.470 0.003 0.000 0.374 321 S C 0.046 174.484 174.600 -0.269 0.000 0.969 321 S CA 0.584 58.666 58.200 -0.196 0.000 1.198 321 S CB -1.773 61.355 63.200 -0.121 0.000 0.903 321 S HN 0.733 nan 8.310 nan 0.000 0.493 322 C N 1.046 120.051 119.300 -0.492 0.000 2.881 322 C HA 0.412 4.874 4.460 0.003 0.000 0.290 322 C C 1.399 176.047 174.990 -0.570 0.000 1.362 322 C CA 0.131 58.761 59.018 -0.647 0.000 1.757 322 C CB -1.096 25.951 27.740 -1.155 0.000 2.265 322 C HN 0.907 nan 8.230 nan 0.000 0.600 323 S N 0.568 116.071 115.700 -0.329 0.000 3.635 323 S HA -0.164 4.308 4.470 0.003 0.000 0.328 323 S C -0.137 174.492 174.600 0.047 0.000 1.135 323 S CA 0.424 58.556 58.200 -0.112 0.000 0.942 323 S CB -1.521 61.647 63.200 -0.052 0.000 0.930 323 S HN 0.573 nan 8.310 nan 0.000 0.512 324 F N 2.118 122.084 119.950 0.027 0.000 2.410 324 F HA 0.588 5.117 4.527 0.003 0.000 0.334 324 F C 1.478 177.302 175.800 0.041 0.000 1.134 324 F CA -0.546 57.485 58.000 0.052 0.000 1.227 324 F CB 0.486 39.538 39.000 0.086 0.000 1.194 324 F HN 0.258 nan 8.300 nan 0.000 0.571 325 T N -1.941 112.765 114.554 0.254 0.000 2.807 325 T HA 0.668 5.020 4.350 0.003 0.000 0.277 325 T C 0.916 175.691 174.700 0.125 0.000 1.006 325 T CA -0.245 61.943 62.100 0.146 0.000 1.006 325 T CB 1.232 70.161 68.868 0.101 0.000 1.274 325 T HN 0.540 nan 8.240 nan 0.000 0.569 326 A N 0.155 123.027 122.820 0.087 0.000 2.024 326 A HA 0.202 4.524 4.320 0.003 0.000 0.220 326 A C 2.476 180.107 177.584 0.078 0.000 1.164 326 A CA 1.975 54.057 52.037 0.074 0.000 0.643 326 A CB -1.566 17.464 19.000 0.051 0.000 0.806 326 A HN 1.322 nan 8.150 nan 0.000 0.451 327 A N -0.572 122.295 122.820 0.078 0.000 2.121 327 A HA -0.117 4.205 4.320 0.003 0.000 0.218 327 A C 2.221 179.872 177.584 0.111 0.000 1.154 327 A CA 1.563 53.648 52.037 0.080 0.000 0.679 327 A CB -1.306 17.734 19.000 0.067 0.000 0.795 327 A HN 1.246 nan 8.150 nan 0.000 0.458 328 C N -3.136 116.221 119.300 0.095 0.000 2.563 328 C HA 0.093 4.555 4.460 0.003 0.000 0.268 328 C C 2.371 177.470 174.990 0.182 0.000 1.365 328 C CA 0.255 59.308 59.018 0.059 0.000 1.754 328 C CB -1.921 25.757 27.740 -0.104 0.000 1.932 328 C HN 0.595 nan 8.230 nan 0.000 0.536 329 C N 2.573 121.982 119.300 0.181 0.000 2.419 329 C HA -0.064 4.398 4.460 0.003 0.000 0.281 329 C C 3.266 178.330 174.990 0.125 0.000 1.336 329 C CA 1.863 60.994 59.018 0.189 0.000 1.770 329 C CB -1.492 26.317 27.740 0.116 0.000 1.929 329 C HN 0.875 nan 8.230 nan 0.000 0.509 330 S N -0.048 115.686 115.700 0.056 0.000 2.402 330 S HA -0.171 4.301 4.470 0.003 0.000 0.229 330 S C 1.612 176.137 174.600 -0.126 0.000 1.021 330 S CA 1.185 59.350 58.200 -0.058 0.000 0.974 330 S CB -0.748 62.368 63.200 -0.141 0.000 0.800 330 S HN 0.739 nan 8.310 nan 0.000 0.484 331 H N -0.005 119.011 119.070 -0.091 0.000 2.333 331 H HA 0.069 4.627 4.556 0.003 0.000 0.302 331 H C 1.729 176.938 175.328 -0.198 0.000 1.075 331 H CA 1.546 57.479 56.048 -0.191 0.000 1.348 331 H CB -0.436 29.122 29.762 -0.341 0.000 1.393 331 H HN 0.467 nan 8.280 nan 0.000 0.509 332 F N 0.853 120.832 119.950 0.049 0.000 2.293 332 F HA -0.167 4.362 4.527 0.004 0.000 0.300 332 F C 2.922 178.724 175.800 0.005 0.000 1.086 332 F CA 0.937 58.940 58.000 0.006 0.000 1.375 332 F CB -0.366 38.619 39.000 -0.025 0.000 1.045 332 F HN 0.049 nan 8.300 nan 0.000 0.516 333 S N -0.660 115.133 115.700 0.155 0.000 2.356 333 S HA -0.189 4.283 4.470 0.003 0.000 0.223 333 S C 2.414 177.041 174.600 0.044 0.000 1.032 333 S CA 1.850 60.097 58.200 0.079 0.000 1.005 333 S CB -0.488 62.732 63.200 0.034 0.000 0.867 333 S HN 0.316 nan 8.310 nan 0.000 0.449 334 S N 0.660 116.366 115.700 0.010 0.000 2.383 334 S HA -0.080 4.392 4.470 0.003 0.000 0.229 334 S C 1.888 176.501 174.600 0.021 0.000 1.030 334 S CA 1.368 59.565 58.200 -0.006 0.000 1.002 334 S CB -0.535 62.642 63.200 -0.040 0.000 0.829 334 S HN 0.418 nan 8.310 nan 0.000 0.467 335 V N 2.181 122.122 119.914 0.045 0.000 2.261 335 V HA -0.147 3.975 4.120 0.003 0.000 0.246 335 V C 2.152 178.296 176.094 0.083 0.000 1.047 335 V CA 1.542 63.886 62.300 0.073 0.000 1.015 335 V CB -0.709 31.182 31.823 0.113 0.000 0.642 335 V HN 0.445 nan 8.190 nan 0.000 0.446 336 L N -0.016 121.265 121.223 0.097 0.000 2.191 336 L HA -0.128 4.214 4.340 0.003 0.000 0.212 336 L C 2.538 179.430 176.870 0.036 0.000 1.103 336 L CA 1.362 56.245 54.840 0.073 0.000 0.769 336 L CB -0.683 41.419 42.059 0.072 0.000 0.908 336 L HN 0.384 nan 8.230 nan 0.000 0.438 337 A N -0.733 122.103 122.820 0.027 0.000 2.021 337 A HA -0.093 4.229 4.320 0.003 0.000 0.216 337 A C 2.103 179.687 177.584 0.002 0.000 1.163 337 A CA 0.834 52.875 52.037 0.006 0.000 0.676 337 A CB 0.012 19.012 19.000 0.000 0.000 0.818 337 A HN 0.485 nan 8.150 nan 0.000 0.453 338 Q N -1.130 118.676 119.800 0.010 0.000 2.511 338 Q HA 0.109 4.451 4.340 0.003 0.000 0.236 338 Q C 0.404 176.404 176.000 -0.001 0.000 0.893 338 Q CA -0.365 55.440 55.803 0.003 0.000 0.947 338 Q CB 0.081 28.823 28.738 0.008 0.000 1.110 338 Q HN 0.505 nan 8.270 nan 0.000 0.591 339 N N 1.730 120.446 118.700 0.026 0.000 2.447 339 N HA -0.041 4.701 4.740 0.003 0.000 0.263 339 N C 0.022 175.515 175.510 -0.028 0.000 1.226 339 N CA 0.358 53.432 53.050 0.040 0.000 0.906 339 N CB 0.620 39.171 38.487 0.107 0.000 1.060 339 N HN 0.098 nan 8.380 nan 0.000 0.468 340 R N 3.558 123.950 120.500 -0.180 0.000 2.427 340 R HA 0.122 4.463 4.340 0.003 0.000 0.262 340 R C 0.283 176.332 176.300 -0.419 0.000 0.943 340 R CA -0.011 55.901 56.100 -0.314 0.000 1.081 340 R CB -0.237 29.806 30.300 -0.428 0.000 1.166 340 R HN 0.530 nan 8.270 nan 0.000 0.534 341 F N -0.291 119.693 119.950 0.058 0.000 2.514 341 F HA 0.181 4.710 4.527 0.003 0.000 0.281 341 F C 0.922 176.770 175.800 0.080 0.000 1.060 341 F CA -0.640 57.399 58.000 0.065 0.000 1.397 341 F CB -0.224 38.814 39.000 0.063 0.000 1.129 341 F HN -0.141 nan 8.300 nan 0.000 0.620 342 L N 1.826 123.209 121.223 0.266 0.000 2.597 342 L HA 0.048 4.390 4.340 0.003 0.000 0.271 342 L C 0.409 177.379 176.870 0.167 0.000 1.157 342 L CA 0.574 55.540 54.840 0.211 0.000 0.928 342 L CB -0.030 42.147 42.059 0.197 0.000 1.216 342 L HN 0.190 nan 8.230 nan 0.000 0.481 343 L N 3.242 124.569 121.223 0.174 0.000 2.515 343 L HA 0.322 4.664 4.340 0.003 0.000 0.223 343 L C 0.634 177.603 176.870 0.165 0.000 1.079 343 L CA 0.084 55.013 54.840 0.149 0.000 0.857 343 L CB 0.091 42.237 42.059 0.144 0.000 1.050 343 L HN 0.634 nan 8.230 nan 0.000 0.476 344 E N 1.098 121.423 120.200 0.209 0.000 2.256 344 E HA 0.401 4.753 4.350 0.003 0.000 0.268 344 E C -1.721 175.014 176.600 0.224 0.000 0.877 344 E CA -0.671 55.880 56.400 0.252 0.000 0.757 344 E CB 2.531 32.453 29.700 0.369 0.000 1.183 344 E HN -0.109 nan 8.360 nan 0.000 0.418 345 L N 4.445 125.772 121.223 0.173 0.000 2.377 345 L HA 0.335 4.677 4.340 0.003 0.000 0.270 345 L C -1.292 175.568 176.870 -0.017 0.000 0.991 345 L CA -0.417 54.458 54.840 0.058 0.000 0.851 345 L CB 1.489 43.553 42.059 0.008 0.000 1.218 345 L HN 0.499 nan 8.230 nan 0.000 0.420 346 Q N 5.155 124.756 119.800 -0.332 0.000 2.390 346 Q HA 0.404 4.746 4.340 0.003 0.000 0.249 346 Q C -0.631 175.069 176.000 -0.499 0.000 0.996 346 Q CA 0.512 55.844 55.803 -0.784 0.000 0.899 346 Q CB 0.880 28.286 28.738 -2.221 0.000 1.216 346 Q HN 0.770 nan 8.270 nan 0.000 0.465 347 I N 2.373 122.773 120.570 -0.284 0.000 3.658 347 I HA 0.278 4.450 4.170 0.003 0.000 0.328 347 I C -0.654 175.379 176.117 -0.140 0.000 1.567 347 I CA -0.110 61.069 61.300 -0.202 0.000 1.078 347 I CB 0.429 38.289 38.000 -0.232 0.000 1.267 347 I HN 0.497 nan 8.210 nan 0.000 0.495 348 S N 0.761 116.360 115.700 -0.167 0.000 2.587 348 S HA 0.103 4.575 4.470 0.003 0.000 0.260 348 S C 0.550 175.086 174.600 -0.107 0.000 1.353 348 S CA 0.194 58.338 58.200 -0.094 0.000 0.995 348 S CB 0.262 63.419 63.200 -0.072 0.000 0.912 348 S HN 0.667 nan 8.310 nan 0.000 0.568 349 N N 0.750 119.413 118.700 -0.062 0.000 2.740 349 N HA -0.168 4.574 4.740 0.003 0.000 0.248 349 N C -1.276 174.191 175.510 -0.072 0.000 1.062 349 N CA 0.425 53.437 53.050 -0.063 0.000 0.704 349 N CB -1.185 37.253 38.487 -0.080 0.000 0.968 349 N HN 0.411 nan 8.380 nan 0.000 0.547 350 N N -0.492 118.183 118.700 -0.042 0.000 2.249 350 N HA 0.429 5.171 4.740 0.003 0.000 0.296 350 N C 0.046 175.571 175.510 0.026 0.000 1.051 350 N CA -0.425 52.618 53.050 -0.011 0.000 0.815 350 N CB 1.168 39.679 38.487 0.041 0.000 1.487 350 N HN 0.343 nan 8.380 nan 0.000 0.475 351 R N 2.602 123.125 120.500 0.037 0.000 4.154 351 R HA 0.170 4.512 4.340 0.003 0.000 0.186 351 R C 1.246 177.580 176.300 0.058 0.000 1.750 351 R CA 0.051 56.175 56.100 0.039 0.000 1.431 351 R CB -1.685 28.635 30.300 0.034 0.000 1.383 351 R HN 0.585 nan 8.270 nan 0.000 0.788 352 L N -0.130 121.127 121.223 0.056 0.000 2.179 352 L HA 0.049 4.390 4.340 0.003 0.000 0.208 352 L C 0.205 177.100 176.870 0.042 0.000 1.096 352 L CA 0.409 55.285 54.840 0.061 0.000 0.779 352 L CB -0.496 41.593 42.059 0.049 0.000 0.922 352 L HN 0.754 nan 8.230 nan 0.000 0.443 353 E N -0.344 119.872 120.200 0.028 0.000 8.964 353 E HA -0.207 4.145 4.350 0.003 0.000 0.468 353 E C -0.305 176.304 176.600 0.014 0.000 1.286 353 E CA 0.364 56.775 56.400 0.019 0.000 2.235 353 E CB -0.330 29.384 29.700 0.022 0.000 1.018 353 E HN 0.210 nan 8.360 nan 0.000 0.273 354 D N 0.196 120.601 120.400 0.008 0.000 2.149 354 D HA -0.188 4.454 4.640 0.003 0.000 0.198 354 D C 1.828 178.133 176.300 0.007 0.000 0.990 354 D CA 1.777 55.779 54.000 0.004 0.000 0.839 354 D CB -0.236 40.564 40.800 -0.001 0.000 0.948 354 D HN 0.499 nan 8.370 nan 0.000 0.460 355 A N 1.149 123.975 122.820 0.011 0.000 1.883 355 A HA -0.085 4.237 4.320 0.003 0.000 0.217 355 A C 2.431 180.027 177.584 0.020 0.000 1.186 355 A CA 2.247 54.292 52.037 0.014 0.000 0.624 355 A CB -1.110 17.899 19.000 0.016 0.000 0.822 355 A HN 0.316 nan 8.150 nan 0.000 0.444 356 G N -0.760 108.056 108.800 0.028 0.000 2.404 356 G HA2 -0.081 3.881 3.960 0.003 0.000 0.215 356 G HA3 -0.081 3.881 3.960 0.003 0.000 0.215 356 G C 1.517 176.434 174.900 0.030 0.000 1.174 356 G CA 1.153 46.276 45.100 0.039 0.000 0.780 356 G HN 0.314 nan 8.290 nan 0.000 0.537 357 V N 1.449 121.373 119.914 0.018 0.000 2.332 357 V HA -0.172 3.950 4.120 0.003 0.000 0.248 357 V C 3.510 179.607 176.094 0.006 0.000 1.055 357 V CA 2.753 65.058 62.300 0.008 0.000 1.038 357 V CB -0.983 30.840 31.823 0.000 0.000 0.651 357 V HN 0.564 nan 8.190 nan 0.000 0.450 358 R N -0.036 120.467 120.500 0.006 0.000 2.091 358 R HA -0.227 4.115 4.340 0.003 0.000 0.238 358 R C 2.081 178.384 176.300 0.005 0.000 1.136 358 R CA 2.009 58.110 56.100 0.002 0.000 0.959 358 R CB -1.099 29.202 30.300 0.001 0.000 0.856 358 R HN 0.707 nan 8.270 nan 0.000 0.437 359 E N 0.433 120.641 120.200 0.012 0.000 2.077 359 E HA -0.075 4.277 4.350 0.003 0.000 0.193 359 E C 2.242 178.855 176.600 0.022 0.000 0.989 359 E CA 1.260 57.669 56.400 0.015 0.000 0.800 359 E CB -0.184 29.529 29.700 0.022 0.000 0.746 359 E HN 0.544 nan 8.360 nan 0.000 0.452 360 L N 0.378 121.619 121.223 0.030 0.000 2.042 360 L HA -0.245 4.097 4.340 0.003 0.000 0.210 360 L C 2.693 179.573 176.870 0.016 0.000 1.076 360 L CA 0.862 55.724 54.840 0.036 0.000 0.749 360 L CB -0.487 41.586 42.059 0.023 0.000 0.893 360 L HN 0.294 nan 8.230 nan 0.000 0.432 361 C N -0.603 118.700 119.300 0.004 0.000 2.425 361 C HA -0.167 4.295 4.460 0.003 0.000 0.277 361 C C 2.853 177.837 174.990 -0.010 0.000 1.280 361 C CA 0.589 59.603 59.018 -0.007 0.000 1.744 361 C CB -0.780 26.953 27.740 -0.011 0.000 1.989 361 C HN 0.529 nan 8.230 nan 0.000 0.491 362 Q N 0.233 120.030 119.800 -0.006 0.000 2.030 362 Q HA -0.135 4.207 4.340 0.003 0.000 0.204 362 Q C 2.498 178.492 176.000 -0.010 0.000 0.986 362 Q CA 1.996 57.793 55.803 -0.010 0.000 0.843 362 Q CB -0.518 28.216 28.738 -0.008 0.000 0.904 362 Q HN 0.790 nan 8.270 nan 0.000 0.420 363 G N 0.867 109.667 108.800 -0.000 0.000 2.421 363 G HA2 -0.241 3.721 3.960 0.003 0.000 0.216 363 G HA3 -0.241 3.721 3.960 0.003 0.000 0.216 363 G C 1.372 176.271 174.900 -0.002 0.000 1.171 363 G CA 0.331 45.433 45.100 0.003 0.000 0.775 363 G HN 0.247 nan 8.290 nan 0.000 0.543 364 L N 0.778 122.001 121.223 -0.001 0.000 2.127 364 L HA -0.029 4.313 4.340 0.003 0.000 0.211 364 L C 2.791 179.637 176.870 -0.039 0.000 1.089 364 L CA 1.263 56.096 54.840 -0.012 0.000 0.757 364 L CB -0.401 41.652 42.059 -0.010 0.000 0.899 364 L HN 0.345 nan 8.230 nan 0.000 0.434 365 G N -1.051 107.723 108.800 -0.044 0.000 2.679 365 G HA2 -0.093 3.869 3.960 0.003 0.000 0.212 365 G HA3 -0.093 3.869 3.960 0.003 0.000 0.212 365 G C 0.691 175.549 174.900 -0.070 0.000 1.137 365 G CA -0.255 44.804 45.100 -0.068 0.000 0.787 365 G HN 0.290 nan 8.290 nan 0.000 0.534 366 Q N 0.964 120.736 119.800 -0.047 0.000 2.394 366 Q HA 0.178 4.520 4.340 0.003 0.000 0.248 366 Q C -2.227 173.746 176.000 -0.045 0.000 0.992 366 Q CA -1.883 53.897 55.803 -0.038 0.000 0.888 366 Q CB 0.749 29.473 28.738 -0.023 0.000 1.257 366 Q HN 0.170 nan 8.270 nan 0.000 0.462 367 P HA -0.014 nan 4.420 nan 0.000 0.268 367 P C 0.468 177.761 177.300 -0.011 0.000 1.204 367 P CA 0.776 63.867 63.100 -0.016 0.000 0.768 367 P CB 0.513 32.214 31.700 0.002 0.000 0.842 368 G N 2.130 110.930 108.800 0.000 0.000 2.195 368 G HA2 -0.260 3.702 3.960 0.003 0.000 0.246 368 G HA3 -0.260 3.702 3.960 0.003 0.000 0.246 368 G C 0.320 175.212 174.900 -0.014 0.000 0.984 368 G CA 0.256 45.354 45.100 -0.003 0.000 0.633 368 G HN 0.872 nan 8.290 nan 0.000 0.525 369 S N -0.280 115.408 115.700 -0.020 0.000 2.558 369 S HA 0.415 4.887 4.470 0.003 0.000 0.288 369 S C 1.445 176.041 174.600 -0.007 0.000 1.318 369 S CA 0.559 58.749 58.200 -0.017 0.000 1.056 369 S CB 1.874 65.058 63.200 -0.026 0.000 0.853 369 S HN 1.729 nan 8.310 nan 0.000 0.505 370 V N -0.177 119.739 119.914 0.002 0.000 3.548 370 V HA 0.399 4.521 4.120 0.003 0.000 0.279 370 V C 0.446 176.561 176.094 0.034 0.000 1.446 370 V CA -0.472 61.836 62.300 0.014 0.000 1.023 370 V CB -0.679 31.144 31.823 0.001 0.000 0.820 370 V HN 0.727 nan 8.190 nan 0.000 0.438 371 L N 2.286 123.533 121.223 0.040 0.000 2.653 371 L HA 0.106 4.448 4.340 0.003 0.000 0.288 371 L C 1.543 178.441 176.870 0.047 0.000 1.243 371 L CA 1.250 56.124 54.840 0.056 0.000 0.906 371 L CB 0.275 42.365 42.059 0.052 0.000 1.154 371 L HN 0.303 nan 8.230 nan 0.000 0.498 372 R N 2.653 123.191 120.500 0.062 0.000 2.221 372 R HA 0.291 4.633 4.340 0.003 0.000 0.195 372 R C -0.734 175.585 176.300 0.033 0.000 0.956 372 R CA 0.009 56.138 56.100 0.048 0.000 1.064 372 R CB 0.582 30.919 30.300 0.062 0.000 1.049 372 R HN 0.435 nan 8.270 nan 0.000 0.534 373 V N 2.290 122.239 119.914 0.060 0.000 2.577 373 V HA 0.358 4.480 4.120 0.003 0.000 0.303 373 V C -1.359 174.763 176.094 0.048 0.000 1.042 373 V CA -0.904 61.410 62.300 0.024 0.000 0.872 373 V CB 2.032 33.924 31.823 0.114 0.000 0.998 373 V HN 0.000 nan 8.190 nan 0.000 0.423 374 L N 5.346 126.535 121.223 -0.056 0.000 2.406 374 L HA 0.739 5.080 4.340 0.003 0.000 0.272 374 L C -1.792 175.048 176.870 -0.050 0.000 0.980 374 L CA -0.205 54.639 54.840 0.007 0.000 0.831 374 L CB 1.661 43.712 42.059 -0.014 0.000 1.253 374 L HN 0.632 nan 8.230 nan 0.000 0.406 375 W N 6.619 127.837 121.300 -0.136 0.000 2.329 375 W HA 0.607 5.268 4.660 0.003 0.000 0.312 375 W C -0.127 176.305 176.519 -0.146 0.000 1.054 375 W CA -0.431 56.824 57.345 -0.151 0.000 1.245 375 W CB 1.103 30.408 29.460 -0.259 0.000 1.255 375 W HN 0.331 nan 8.180 nan 0.000 0.436 376 L N 3.728 125.008 121.223 0.095 0.000 3.288 376 L HA 0.417 4.759 4.340 0.003 0.000 0.293 376 L C 0.876 177.770 176.870 0.040 0.000 1.294 376 L CA -0.563 54.298 54.840 0.035 0.000 1.006 376 L CB -0.300 41.761 42.059 0.003 0.000 1.407 376 L HN 0.503 nan 8.230 nan 0.000 0.592 377 A N -0.169 122.698 122.820 0.079 0.000 2.477 377 A HA 0.163 4.485 4.320 0.003 0.000 0.246 377 A C 0.711 178.318 177.584 0.037 0.000 1.078 377 A CA 0.172 52.254 52.037 0.075 0.000 0.770 377 A CB 0.073 19.152 19.000 0.132 0.000 1.011 377 A HN 0.515 nan 8.150 nan 0.000 0.494 378 D N 0.291 120.710 120.400 0.032 0.000 2.697 378 D HA -0.166 4.476 4.640 0.003 0.000 0.235 378 D C 0.153 176.456 176.300 0.006 0.000 1.167 378 D CA 1.164 55.174 54.000 0.017 0.000 0.656 378 D CB -1.396 39.412 40.800 0.014 0.000 1.025 378 D HN 0.486 nan 8.370 nan 0.000 0.419 379 C N 0.679 119.984 119.300 0.007 0.000 2.760 379 C HA 0.251 4.713 4.460 0.003 0.000 0.293 379 C C 0.942 175.937 174.990 0.009 0.000 1.383 379 C CA -0.041 58.981 59.018 0.006 0.000 1.771 379 C CB -1.085 26.658 27.740 0.005 0.000 2.353 379 C HN 0.628 nan 8.230 nan 0.000 0.578 380 D N 0.370 120.774 120.400 0.006 0.000 2.746 380 D HA -0.139 4.503 4.640 0.003 0.000 0.236 380 D C -0.241 176.060 176.300 0.002 0.000 1.129 380 D CA 0.388 54.391 54.000 0.005 0.000 0.691 380 D CB -0.665 40.140 40.800 0.009 0.000 1.077 380 D HN 0.305 nan 8.370 nan 0.000 0.432 381 V N 0.355 120.268 119.914 -0.002 0.000 2.567 381 V HA 0.726 4.848 4.120 0.003 0.000 0.289 381 V C 0.961 177.046 176.094 -0.014 0.000 1.049 381 V CA 0.215 62.511 62.300 -0.008 0.000 0.969 381 V CB 1.738 33.555 31.823 -0.010 0.000 0.995 381 V HN 0.397 nan 8.190 nan 0.000 0.471 382 S N 1.318 117.008 115.700 -0.016 0.000 2.851 382 S HA 0.421 4.893 4.470 0.003 0.000 0.317 382 S C 0.382 174.967 174.600 -0.026 0.000 1.144 382 S CA -0.591 57.595 58.200 -0.022 0.000 0.862 382 S CB 1.508 64.697 63.200 -0.017 0.000 1.259 382 S HN 0.514 nan 8.310 nan 0.000 0.564 383 D N 1.353 121.736 120.400 -0.028 0.000 2.221 383 D HA -0.009 4.633 4.640 0.003 0.000 0.204 383 D C 1.763 178.050 176.300 -0.022 0.000 0.982 383 D CA 1.484 55.467 54.000 -0.029 0.000 0.857 383 D CB -0.420 40.363 40.800 -0.027 0.000 0.934 383 D HN 0.445 nan 8.370 nan 0.000 0.475 384 S N -0.688 115.002 115.700 -0.017 0.000 2.442 384 S HA -0.074 4.398 4.470 0.003 0.000 0.236 384 S C 1.937 176.529 174.600 -0.012 0.000 1.007 384 S CA 0.617 58.810 58.200 -0.013 0.000 0.965 384 S CB 0.028 63.222 63.200 -0.009 0.000 0.773 384 S HN 0.161 nan 8.310 nan 0.000 0.504 385 S N 0.099 115.790 115.700 -0.014 0.000 2.486 385 S HA 0.035 4.507 4.470 0.003 0.000 0.220 385 S C 1.879 176.469 174.600 -0.017 0.000 1.011 385 S CA 0.020 58.212 58.200 -0.013 0.000 0.921 385 S CB -0.204 62.989 63.200 -0.013 0.000 0.785 385 S HN 0.614 nan 8.310 nan 0.000 0.517 386 C N 2.456 121.744 119.300 -0.021 0.000 2.411 386 C HA -0.081 4.381 4.460 0.003 0.000 0.279 386 C C 3.116 178.095 174.990 -0.019 0.000 1.288 386 C CA 1.176 60.180 59.018 -0.023 0.000 1.764 386 C CB -1.507 26.216 27.740 -0.028 0.000 1.974 386 C HN 0.773 nan 8.230 nan 0.000 0.498 387 S N 0.567 116.257 115.700 -0.016 0.000 2.383 387 S HA -0.119 4.353 4.470 0.003 0.000 0.227 387 S C 1.718 176.310 174.600 -0.013 0.000 1.026 387 S CA 1.769 59.961 58.200 -0.013 0.000 0.981 387 S CB -0.492 62.701 63.200 -0.011 0.000 0.818 387 S HN 0.594 nan 8.310 nan 0.000 0.472 388 S N 1.932 117.624 115.700 -0.013 0.000 2.395 388 S HA 0.235 4.707 4.470 0.003 0.000 0.225 388 S C 1.795 176.385 174.600 -0.017 0.000 1.027 388 S CA 0.863 59.055 58.200 -0.014 0.000 0.965 388 S CB -0.499 62.694 63.200 -0.011 0.000 0.812 388 S HN 0.411 nan 8.310 nan 0.000 0.482 389 L N 1.214 122.426 121.223 -0.018 0.000 2.046 389 L HA -0.119 4.223 4.340 0.003 0.000 0.208 389 L C 2.761 179.618 176.870 -0.022 0.000 1.077 389 L CA 1.205 56.032 54.840 -0.021 0.000 0.747 389 L CB -0.619 41.426 42.059 -0.024 0.000 0.896 389 L HN 0.321 nan 8.230 nan 0.000 0.432 390 A N -0.108 122.700 122.820 -0.019 0.000 1.902 390 A HA -0.154 4.168 4.320 0.003 0.000 0.217 390 A C 2.522 180.097 177.584 -0.015 0.000 1.181 390 A CA 1.654 53.682 52.037 -0.016 0.000 0.623 390 A CB -0.660 18.332 19.000 -0.013 0.000 0.818 390 A HN 0.401 nan 8.150 nan 0.000 0.443 391 A N -0.809 122.001 122.820 -0.016 0.000 1.858 391 A HA -0.100 4.222 4.320 0.003 0.000 0.216 391 A C 2.305 179.872 177.584 -0.028 0.000 1.190 391 A CA 2.325 54.351 52.037 -0.018 0.000 0.617 391 A CB -1.370 17.619 19.000 -0.017 0.000 0.827 391 A HN 0.427 nan 8.150 nan 0.000 0.443 392 T N 0.607 115.142 114.554 -0.032 0.000 2.833 392 T HA -0.078 4.273 4.350 0.003 0.000 0.269 392 T C 1.692 176.361 174.700 -0.053 0.000 1.054 392 T CA 1.338 63.410 62.100 -0.046 0.000 1.135 392 T CB -0.401 68.445 68.868 -0.037 0.000 0.869 392 T HN 0.347 nan 8.240 nan 0.000 0.466 393 L N 0.165 121.368 121.223 -0.034 0.000 2.265 393 L HA -0.008 4.334 4.340 0.003 0.000 0.215 393 L C 2.071 178.933 176.870 -0.013 0.000 1.117 393 L CA 0.938 55.764 54.840 -0.024 0.000 0.782 393 L CB -0.366 41.684 42.059 -0.015 0.000 0.914 393 L HN 0.310 nan 8.230 nan 0.000 0.441 394 L N -1.951 119.261 121.223 -0.019 0.000 2.425 394 L HA 0.130 4.472 4.340 0.003 0.000 0.215 394 L C 2.626 179.472 176.870 -0.039 0.000 1.065 394 L CA 0.523 55.369 54.840 0.010 0.000 0.842 394 L CB -0.390 41.680 42.059 0.018 0.000 1.033 394 L HN 0.094 nan 8.230 nan 0.000 0.474 395 A N -0.006 122.750 122.820 -0.107 0.000 1.898 395 A HA -0.082 4.240 4.320 0.003 0.000 0.214 395 A C 1.221 178.538 177.584 -0.445 0.000 1.183 395 A CA 0.658 52.582 52.037 -0.188 0.000 0.622 395 A CB -0.387 18.548 19.000 -0.108 0.000 0.824 395 A HN 0.422 nan 8.150 nan 0.000 0.444 396 N N -0.646 117.852 118.700 -0.338 0.000 2.518 396 N HA 0.191 4.933 4.740 0.003 0.000 0.283 396 N C -0.396 174.886 175.510 -0.380 0.000 1.119 396 N CA -0.087 52.754 53.050 -0.348 0.000 0.983 396 N CB 0.585 38.986 38.487 -0.144 0.000 1.139 396 N HN 0.440 nan 8.380 nan 0.000 0.465 397 H N -0.140 118.928 119.070 -0.003 0.000 2.893 397 H HA 0.118 4.676 4.556 0.003 0.000 0.270 397 H C 1.222 176.549 175.328 -0.002 0.000 1.095 397 H CA -0.013 56.033 56.048 -0.003 0.000 1.186 397 H CB 0.720 30.479 29.762 -0.004 0.000 1.562 397 H HN 0.654 nan 8.280 nan 0.000 0.536 398 S N 0.249 115.991 115.700 0.070 0.000 2.470 398 S HA 0.086 4.558 4.470 0.003 0.000 0.222 398 S C 0.821 175.440 174.600 0.032 0.000 1.024 398 S CA -0.348 57.882 58.200 0.051 0.000 0.931 398 S CB 0.131 63.353 63.200 0.037 0.000 0.791 398 S HN 0.206 nan 8.310 nan 0.000 0.513 399 L N 2.449 123.681 121.223 0.016 0.000 2.540 399 L HA 0.154 4.496 4.340 0.003 0.000 0.276 399 L C 1.329 178.199 176.870 0.000 0.000 1.212 399 L CA 0.094 54.935 54.840 0.002 0.000 0.893 399 L CB 0.466 42.517 42.059 -0.014 0.000 1.138 399 L HN 0.335 nan 8.230 nan 0.000 0.491 400 R N 2.075 122.569 120.500 -0.010 0.000 2.507 400 R HA 0.224 4.566 4.340 0.003 0.000 0.230 400 R C -0.213 176.060 176.300 -0.046 0.000 0.897 400 R CA 0.098 56.189 56.100 -0.016 0.000 1.006 400 R CB 0.795 31.095 30.300 -0.001 0.000 1.341 400 R HN 0.593 nan 8.270 nan 0.000 0.604 401 E N 1.040 121.196 120.200 -0.074 0.000 2.260 401 E HA 0.318 4.670 4.350 0.003 0.000 0.266 401 E C -1.765 174.726 176.600 -0.181 0.000 0.887 401 E CA -0.612 55.705 56.400 -0.139 0.000 0.777 401 E CB 1.493 31.086 29.700 -0.178 0.000 1.205 401 E HN -0.129 nan 8.360 nan 0.000 0.414 402 L N 4.495 125.612 121.223 -0.177 0.000 2.372 402 L HA 0.491 4.833 4.340 0.003 0.000 0.274 402 L C -1.520 175.239 176.870 -0.186 0.000 0.988 402 L CA -0.441 54.301 54.840 -0.164 0.000 0.833 402 L CB 1.667 43.668 42.059 -0.096 0.000 1.236 402 L HN 0.435 nan 8.230 nan 0.000 0.410 403 D N 4.805 125.075 120.400 -0.217 0.000 2.349 403 D HA 0.357 4.999 4.640 0.003 0.000 0.232 403 D C -0.101 176.172 176.300 -0.044 0.000 1.071 403 D CA -0.013 53.895 54.000 -0.153 0.000 0.832 403 D CB 1.257 41.932 40.800 -0.209 0.000 1.086 403 D HN 0.675 nan 8.370 nan 0.000 0.504 404 L N 2.256 123.464 121.223 -0.025 0.000 3.168 404 L HA 0.208 4.550 4.340 0.003 0.000 0.277 404 L C 0.673 177.554 176.870 0.017 0.000 1.245 404 L CA -0.317 54.518 54.840 -0.008 0.000 1.035 404 L CB 0.487 42.527 42.059 -0.032 0.000 1.399 404 L HN 0.158 nan 8.230 nan 0.000 0.580 405 S N 0.375 116.112 115.700 0.061 0.000 2.569 405 S HA 0.004 4.475 4.470 0.003 0.000 0.274 405 S C 0.714 175.365 174.600 0.085 0.000 1.353 405 S CA 0.012 58.279 58.200 0.111 0.000 1.023 405 S CB 0.161 63.491 63.200 0.216 0.000 0.876 405 S HN 0.603 nan 8.310 nan 0.000 0.540 406 N N 0.827 119.581 118.700 0.090 0.000 2.721 406 N HA -0.173 4.569 4.740 0.003 0.000 0.249 406 N C -0.937 174.592 175.510 0.032 0.000 1.072 406 N CA 0.686 53.773 53.050 0.062 0.000 0.710 406 N CB -1.270 37.254 38.487 0.062 0.000 0.993 406 N HN 0.430 nan 8.380 nan 0.000 0.547 407 N N -0.672 118.036 118.700 0.013 0.000 2.381 407 N HA 0.419 5.161 4.740 0.003 0.000 0.294 407 N C -0.586 174.912 175.510 -0.020 0.000 1.216 407 N CA -0.512 52.535 53.050 -0.005 0.000 0.803 407 N CB 1.203 39.682 38.487 -0.013 0.000 1.372 407 N HN 0.053 nan 8.380 nan 0.000 0.500 408 C N 2.089 121.376 119.300 -0.022 0.000 2.400 408 C HA 0.394 4.856 4.460 0.003 0.000 0.457 408 C C 0.506 175.469 174.990 -0.045 0.000 1.020 408 C CA -0.658 58.344 59.018 -0.028 0.000 1.258 408 C CB -2.357 25.371 27.740 -0.020 0.000 1.532 408 C HN 0.267 nan 8.230 nan 0.000 0.537 409 L N 1.856 123.035 121.223 -0.073 0.000 2.317 409 L HA 0.761 5.103 4.340 0.003 0.000 0.281 409 L C 0.803 177.602 176.870 -0.118 0.000 1.024 409 L CA 0.080 54.861 54.840 -0.097 0.000 0.810 409 L CB 1.335 43.317 42.059 -0.128 0.000 1.240 409 L HN 0.606 nan 8.230 nan 0.000 0.427 410 G N 0.626 109.372 108.800 -0.090 0.000 3.108 410 G HA2 0.292 4.254 3.960 0.003 0.000 0.268 410 G HA3 0.292 4.254 3.960 0.003 0.000 0.268 410 G C -0.220 174.631 174.900 -0.083 0.000 1.361 410 G CA -0.283 44.772 45.100 -0.075 0.000 1.047 410 G HN 0.630 nan 8.290 nan 0.000 0.540 411 D N -0.140 120.230 120.400 -0.050 0.000 2.149 411 D HA -0.084 4.558 4.640 0.003 0.000 0.198 411 D C 2.571 178.853 176.300 -0.029 0.000 0.990 411 D CA 1.827 55.806 54.000 -0.036 0.000 0.839 411 D CB -0.002 40.796 40.800 -0.005 0.000 0.948 411 D HN 0.389 nan 8.370 nan 0.000 0.460 412 A N 0.519 123.324 122.820 -0.025 0.000 1.877 412 A HA -0.003 4.319 4.320 0.003 0.000 0.216 412 A C 2.370 179.938 177.584 -0.027 0.000 1.186 412 A CA 1.982 54.007 52.037 -0.020 0.000 0.620 412 A CB -1.211 17.780 19.000 -0.016 0.000 0.822 412 A HN 0.318 nan 8.150 nan 0.000 0.443 413 G N -0.184 108.593 108.800 -0.038 0.000 2.404 413 G HA2 -0.143 3.819 3.960 0.003 0.000 0.215 413 G HA3 -0.143 3.819 3.960 0.003 0.000 0.215 413 G C 1.540 176.412 174.900 -0.047 0.000 1.174 413 G CA 1.005 46.079 45.100 -0.042 0.000 0.780 413 G HN 0.442 nan 8.290 nan 0.000 0.537 414 I N 0.173 120.704 120.570 -0.065 0.000 2.264 414 I HA -0.155 4.017 4.170 0.003 0.000 0.248 414 I C 2.619 178.718 176.117 -0.030 0.000 1.111 414 I CA 0.576 61.838 61.300 -0.063 0.000 1.382 414 I CB -0.189 37.751 38.000 -0.100 0.000 1.060 414 I HN 0.159 nan 8.210 nan 0.000 0.418 415 L N 0.780 121.989 121.223 -0.023 0.000 2.012 415 L HA -0.276 4.066 4.340 0.003 0.000 0.210 415 L C 2.570 179.434 176.870 -0.010 0.000 1.073 415 L CA 1.924 56.758 54.840 -0.010 0.000 0.748 415 L CB -0.639 41.416 42.059 -0.007 0.000 0.891 415 L HN 0.244 nan 8.230 nan 0.000 0.431 416 Q N -0.809 118.982 119.800 -0.015 0.000 2.096 416 Q HA -0.227 4.115 4.340 0.003 0.000 0.204 416 Q C 2.288 178.280 176.000 -0.013 0.000 0.982 416 Q CA 1.993 57.788 55.803 -0.013 0.000 0.850 416 Q CB -0.365 28.364 28.738 -0.016 0.000 0.901 416 Q HN 0.543 nan 8.270 nan 0.000 0.422 417 L N -0.048 121.164 121.223 -0.018 0.000 2.017 417 L HA -0.180 4.162 4.340 0.003 0.000 0.208 417 L C 2.401 179.266 176.870 -0.009 0.000 1.073 417 L CA 0.791 55.621 54.840 -0.017 0.000 0.745 417 L CB -0.595 41.449 42.059 -0.024 0.000 0.894 417 L HN 0.091 nan 8.230 nan 0.000 0.432 418 V N -0.076 119.835 119.914 -0.005 0.000 2.392 418 V HA -0.288 3.834 4.120 0.003 0.000 0.249 418 V C 2.324 178.418 176.094 0.001 0.000 1.059 418 V CA 1.777 64.078 62.300 0.002 0.000 1.051 418 V CB -0.576 31.252 31.823 0.008 0.000 0.658 418 V HN 0.463 nan 8.190 nan 0.000 0.455 419 E N -0.231 119.969 120.200 -0.001 0.000 2.204 419 E HA -0.164 4.188 4.350 0.003 0.000 0.195 419 E C 2.338 178.939 176.600 0.001 0.000 0.990 419 E CA 1.491 57.891 56.400 -0.000 0.000 0.821 419 E CB -0.086 29.613 29.700 -0.001 0.000 0.750 419 E HN 0.555 nan 8.360 nan 0.000 0.477 420 S N -0.154 115.546 115.700 -0.001 0.000 2.398 420 S HA -0.082 4.390 4.470 0.003 0.000 0.220 420 S C 2.224 176.826 174.600 0.003 0.000 1.046 420 S CA 0.797 58.997 58.200 0.001 0.000 0.953 420 S CB 0.091 63.289 63.200 -0.002 0.000 0.856 420 S HN 0.297 nan 8.310 nan 0.000 0.506 421 V N 3.144 123.057 119.914 -0.000 0.000 2.720 421 V HA -0.146 3.976 4.120 0.003 0.000 0.256 421 V C 2.101 178.196 176.094 0.001 0.000 1.082 421 V CA 1.833 64.133 62.300 -0.000 0.000 1.101 421 V CB -1.152 30.668 31.823 -0.005 0.000 0.693 421 V HN 0.544 nan 8.190 nan 0.000 0.479 422 R N 0.234 120.735 120.500 0.002 0.000 2.189 422 R HA 0.006 4.348 4.340 0.003 0.000 0.218 422 R C 0.880 177.181 176.300 0.002 0.000 1.074 422 R CA 0.382 56.483 56.100 0.002 0.000 0.991 422 R CB -0.521 29.780 30.300 0.002 0.000 0.883 422 R HN 0.521 nan 8.270 nan 0.000 0.457 423 Q N 1.540 121.343 119.800 0.005 0.000 2.330 423 Q HA 0.056 4.398 4.340 0.003 0.000 0.279 423 Q C -1.799 174.204 176.000 0.006 0.000 1.024 423 Q CA -1.512 54.294 55.803 0.006 0.000 0.900 423 Q CB 0.941 29.686 28.738 0.012 0.000 1.221 423 Q HN 0.057 nan 8.270 nan 0.000 0.396 424 P HA -0.154 nan 4.420 nan 0.000 0.216 424 P C 1.129 178.428 177.300 -0.001 0.000 1.150 424 P CA 1.610 64.709 63.100 -0.002 0.000 0.837 424 P CB 0.169 31.866 31.700 -0.005 0.000 0.786 425 G N -1.300 107.502 108.800 0.002 0.000 2.509 425 G HA2 -0.189 3.773 3.960 0.003 0.000 0.218 425 G HA3 -0.189 3.773 3.960 0.003 0.000 0.218 425 G C 0.310 175.226 174.900 0.027 0.000 1.124 425 G CA 0.053 45.154 45.100 0.002 0.000 0.776 425 G HN 0.398 nan 8.290 nan 0.000 0.547 426 C N 1.415 120.733 119.300 0.031 0.000 2.464 426 C HA 0.550 5.012 4.460 0.003 0.000 0.370 426 C C 1.306 176.310 174.990 0.022 0.000 1.267 426 C CA -0.858 58.183 59.018 0.038 0.000 1.781 426 C CB -1.053 26.702 27.740 0.026 0.000 2.431 426 C HN 0.342 nan 8.230 nan 0.000 0.556 427 L N 6.142 127.382 121.223 0.028 0.000 2.848 427 L HA 0.227 4.569 4.340 0.003 0.000 0.240 427 L C 0.590 177.465 176.870 0.008 0.000 1.232 427 L CA -0.366 54.483 54.840 0.015 0.000 1.031 427 L CB -0.536 41.533 42.059 0.016 0.000 1.338 427 L HN 0.617 nan 8.230 nan 0.000 0.509 428 L N 0.398 121.623 121.223 0.004 0.000 2.525 428 L HA -0.051 4.290 4.340 0.003 0.000 0.278 428 L C 1.191 178.051 176.870 -0.016 0.000 1.218 428 L CA 1.046 55.880 54.840 -0.010 0.000 0.878 428 L CB 0.504 42.553 42.059 -0.017 0.000 1.127 428 L HN 0.213 nan 8.230 nan 0.000 0.492 429 E N 2.474 122.660 120.200 -0.024 0.000 2.340 429 E HA 0.113 4.465 4.350 0.003 0.000 0.198 429 E C -0.387 176.188 176.600 -0.040 0.000 0.961 429 E CA 0.234 56.618 56.400 -0.026 0.000 0.905 429 E CB 0.383 30.071 29.700 -0.020 0.000 0.884 429 E HN 0.655 nan 8.360 nan 0.000 0.491 430 Q N 1.019 120.785 119.800 -0.058 0.000 2.263 430 Q HA 0.407 4.749 4.340 0.003 0.000 0.266 430 Q C -1.666 174.278 176.000 -0.094 0.000 1.002 430 Q CA -0.605 55.150 55.803 -0.079 0.000 0.790 430 Q CB 2.703 31.382 28.738 -0.097 0.000 1.272 430 Q HN -0.028 nan 8.270 nan 0.000 0.435 431 L N 3.308 124.481 121.223 -0.084 0.000 2.295 431 L HA 0.421 4.763 4.340 0.003 0.000 0.281 431 L C -1.310 175.501 176.870 -0.098 0.000 1.018 431 L CA -0.572 54.220 54.840 -0.079 0.000 0.841 431 L CB 1.529 43.562 42.059 -0.044 0.000 1.218 431 L HN 0.417 nan 8.230 nan 0.000 0.424 432 V N 7.052 126.890 119.914 -0.126 0.000 2.406 432 V HA 0.298 4.420 4.120 0.003 0.000 0.272 432 V C 0.476 176.519 176.094 -0.085 0.000 1.043 432 V CA -0.188 62.019 62.300 -0.154 0.000 0.915 432 V CB 1.061 32.791 31.823 -0.155 0.000 0.988 432 V HN 0.647 nan 8.190 nan 0.000 0.466 433 L N 5.320 126.493 121.223 -0.082 0.000 3.059 433 L HA 0.395 4.737 4.340 0.003 0.000 0.298 433 L C -0.427 176.525 176.870 0.135 0.000 1.304 433 L CA -0.361 54.502 54.840 0.038 0.000 0.855 433 L CB 0.010 42.130 42.059 0.101 0.000 1.266 433 L HN 0.482 nan 8.230 nan 0.000 0.572 434 Y N 0.583 120.959 120.300 0.127 0.000 2.511 434 Y HA -0.028 4.523 4.550 0.002 0.000 0.347 434 Y C 1.090 177.068 175.900 0.131 0.000 1.257 434 Y CA 0.004 58.185 58.100 0.137 0.000 1.469 434 Y CB 0.302 38.820 38.460 0.098 0.000 1.353 434 Y HN 0.318 nan 8.280 nan 0.000 0.617 435 D N 1.067 121.677 120.400 0.351 0.000 2.697 435 D HA -0.226 4.416 4.640 0.003 0.000 0.235 435 D C -0.800 175.600 176.300 0.166 0.000 1.167 435 D CA 0.885 55.019 54.000 0.224 0.000 0.656 435 D CB -1.222 39.670 40.800 0.154 0.000 1.025 435 D HN 0.336 nan 8.370 nan 0.000 0.419 436 I N -0.180 120.492 120.570 0.170 0.000 2.785 436 I HA 0.278 4.449 4.170 0.003 0.000 0.302 436 I C 0.110 176.196 176.117 -0.052 0.000 1.069 436 I CA -1.355 59.936 61.300 -0.016 0.000 1.045 436 I CB 1.810 39.675 38.000 -0.226 0.000 1.236 436 I HN -0.115 nan 8.210 nan 0.000 0.429 437 Y N 3.605 123.805 120.300 -0.167 0.000 2.377 437 Y HA 0.222 4.773 4.550 0.001 0.000 0.330 437 Y C -1.221 174.532 175.900 -0.244 0.000 1.108 437 Y CA -0.336 57.717 58.100 -0.080 0.000 1.308 437 Y CB 0.597 39.033 38.460 -0.040 0.000 1.216 437 Y HN 0.347 nan 8.280 nan 0.000 0.518 438 W N 5.291 126.079 121.300 -0.853 0.000 2.529 438 W HA 0.541 5.204 4.660 0.003 0.000 0.321 438 W C -0.336 175.769 176.519 -0.690 0.000 1.047 438 W CA -0.614 56.388 57.345 -0.572 0.000 1.216 438 W CB 1.499 30.764 29.460 -0.325 0.000 1.357 438 W HN 0.639 nan 8.180 nan 0.000 0.489 439 S N 0.050 115.692 115.700 -0.098 0.000 2.730 439 S HA 0.599 5.071 4.470 0.003 0.000 0.284 439 S C 1.052 175.687 174.600 0.057 0.000 1.153 439 S CA 0.002 58.205 58.200 0.004 0.000 0.995 439 S CB 1.321 64.567 63.200 0.078 0.000 1.058 439 S HN 0.619 nan 8.310 nan 0.000 0.552 440 E N 0.139 120.371 120.200 0.053 0.000 2.106 440 E HA -0.019 4.333 4.350 0.003 0.000 0.192 440 E C 2.231 178.864 176.600 0.054 0.000 0.984 440 E CA 1.905 58.332 56.400 0.045 0.000 0.806 440 E CB -1.968 27.753 29.700 0.035 0.000 0.750 440 E HN 0.962 nan 8.360 nan 0.000 0.458 441 E N 0.250 120.483 120.200 0.056 0.000 2.051 441 E HA -0.109 4.243 4.350 0.003 0.000 0.192 441 E C 2.151 178.796 176.600 0.074 0.000 0.991 441 E CA 1.566 57.997 56.400 0.052 0.000 0.799 441 E CB -0.627 29.097 29.700 0.041 0.000 0.748 441 E HN 0.658 nan 8.360 nan 0.000 0.449 442 M N -0.281 119.378 119.600 0.099 0.000 2.080 442 M HA -0.148 4.334 4.480 0.003 0.000 0.260 442 M C 2.553 179.031 176.300 0.297 0.000 1.068 442 M CA 2.280 57.674 55.300 0.157 0.000 1.109 442 M CB -0.147 32.512 32.600 0.098 0.000 1.342 442 M HN 0.558 nan 8.290 nan 0.000 0.405 443 E N 0.356 120.732 120.200 0.293 0.000 2.047 443 E HA -0.222 4.130 4.350 0.003 0.000 0.191 443 E C 1.426 178.049 176.600 0.038 0.000 0.987 443 E CA 1.490 57.967 56.400 0.128 0.000 0.799 443 E CB 0.072 29.764 29.700 -0.013 0.000 0.752 443 E HN 0.433 nan 8.360 nan 0.000 0.449 444 D N -0.130 120.293 120.400 0.038 0.000 2.117 444 D HA -0.184 4.458 4.640 0.003 0.000 0.197 444 D C 2.319 178.634 176.300 0.025 0.000 0.987 444 D CA 1.836 55.845 54.000 0.015 0.000 0.829 444 D CB -0.435 40.374 40.800 0.015 0.000 0.961 444 D HN 0.243 nan 8.370 nan 0.000 0.460 445 R N 1.179 121.707 120.500 0.047 0.000 2.083 445 R HA -0.072 4.270 4.340 0.003 0.000 0.237 445 R C 2.528 178.857 176.300 0.047 0.000 1.137 445 R CA 1.235 57.361 56.100 0.044 0.000 0.951 445 R CB -1.617 28.714 30.300 0.052 0.000 0.851 445 R HN 0.266 nan 8.270 nan 0.000 0.434 446 L N 0.219 121.490 121.223 0.080 0.000 2.217 446 L HA -0.095 4.247 4.340 0.003 0.000 0.211 446 L C 3.484 180.362 176.870 0.012 0.000 1.107 446 L CA 1.317 56.199 54.840 0.071 0.000 0.783 446 L CB -0.557 41.601 42.059 0.166 0.000 0.919 446 L HN 0.667 nan 8.230 nan 0.000 0.442 447 Q N 0.122 119.915 119.800 -0.012 0.000 2.119 447 Q HA -0.111 4.231 4.340 0.003 0.000 0.201 447 Q C 2.352 178.338 176.000 -0.024 0.000 0.972 447 Q CA 1.657 57.435 55.803 -0.040 0.000 0.847 447 Q CB -0.804 27.902 28.738 -0.054 0.000 0.903 447 Q HN 0.593 nan 8.270 nan 0.000 0.433 448 A N 0.222 123.037 122.820 -0.010 0.000 1.897 448 A HA 0.132 4.453 4.320 0.003 0.000 0.215 448 A C 2.329 179.910 177.584 -0.005 0.000 1.181 448 A CA 1.571 53.604 52.037 -0.007 0.000 0.620 448 A CB -0.409 18.590 19.000 -0.001 0.000 0.821 448 A HN 0.757 nan 8.150 nan 0.000 0.443 449 L N 0.276 121.499 121.223 0.000 0.000 2.079 449 L HA -0.168 4.174 4.340 0.003 0.000 0.210 449 L C 2.077 178.943 176.870 -0.007 0.000 1.081 449 L CA 2.702 57.543 54.840 0.001 0.000 0.752 449 L CB -0.708 41.356 42.059 0.009 0.000 0.896 449 L HN 0.576 nan 8.230 nan 0.000 0.433 450 E N -0.658 119.534 120.200 -0.013 0.000 2.150 450 E HA -0.209 4.143 4.350 0.003 0.000 0.193 450 E C 2.180 178.768 176.600 -0.020 0.000 0.985 450 E CA 1.549 57.936 56.400 -0.021 0.000 0.814 450 E CB 0.022 29.701 29.700 -0.034 0.000 0.752 450 E HN 0.605 nan 8.360 nan 0.000 0.466 451 K N 0.163 120.552 120.400 -0.018 0.000 2.137 451 K HA -0.045 4.277 4.320 0.003 0.000 0.202 451 K C 1.741 178.334 176.600 -0.012 0.000 1.052 451 K CA 1.585 57.863 56.287 -0.016 0.000 0.961 451 K CB -1.461 31.029 32.500 -0.016 0.000 0.741 451 K HN 0.405 nan 8.250 nan 0.000 0.452 452 D N 0.296 120.690 120.400 -0.010 0.000 2.224 452 D HA 0.007 4.649 4.640 0.003 0.000 0.205 452 D C 1.302 177.598 176.300 -0.007 0.000 0.965 452 D CA 1.202 55.197 54.000 -0.007 0.000 0.852 452 D CB 0.056 40.853 40.800 -0.005 0.000 0.947 452 D HN 0.441 nan 8.370 nan 0.000 0.494 453 K N 0.058 120.453 120.400 -0.009 0.000 2.753 453 K HA 0.308 4.630 4.320 0.003 0.000 0.185 453 K C -2.353 174.240 176.600 -0.012 0.000 1.071 453 K CA -1.441 54.841 56.287 -0.009 0.000 0.999 453 K CB 2.039 34.535 32.500 -0.007 0.000 1.244 453 K HN -0.074 nan 8.250 nan 0.000 0.594 454 P HA -0.150 nan 4.420 nan 0.000 0.222 454 P C 0.858 178.150 177.300 -0.014 0.000 1.147 454 P CA 0.992 64.083 63.100 -0.014 0.000 0.790 454 P CB 0.268 31.961 31.700 -0.012 0.000 0.780 455 S N -1.808 113.885 115.700 -0.012 0.000 2.561 455 S HA 0.018 4.490 4.470 0.003 0.000 0.225 455 S C 0.591 175.182 174.600 -0.014 0.000 0.977 455 S CA -0.046 58.148 58.200 -0.011 0.000 0.926 455 S CB -0.814 62.381 63.200 -0.008 0.000 0.769 455 S HN 0.029 nan 8.310 nan 0.000 0.533 456 L N 2.216 123.429 121.223 -0.017 0.000 2.313 456 L HA 0.569 4.911 4.340 0.003 0.000 0.283 456 L C -0.658 176.195 176.870 -0.028 0.000 1.013 456 L CA -0.743 54.085 54.840 -0.021 0.000 0.816 456 L CB 1.550 43.599 42.059 -0.017 0.000 1.236 456 L HN 0.009 nan 8.230 nan 0.000 0.419 457 R N 4.436 124.914 120.500 -0.036 0.000 2.387 457 R HA 0.620 4.962 4.340 0.003 0.000 0.314 457 R C -1.324 174.941 176.300 -0.058 0.000 0.958 457 R CA -0.925 55.147 56.100 -0.047 0.000 0.846 457 R CB 1.964 32.234 30.300 -0.049 0.000 1.147 457 R HN 0.462 nan 8.270 nan 0.000 0.447 458 V N 5.450 125.328 119.914 -0.059 0.000 2.333 458 V HA 0.233 4.355 4.120 0.003 0.000 0.274 458 V C 0.318 176.349 176.094 -0.105 0.000 1.028 458 V CA -0.740 61.529 62.300 -0.053 0.000 0.851 458 V CB 1.205 33.025 31.823 -0.005 0.000 1.000 458 V HN 0.569 nan 8.190 nan 0.000 0.456 459 I N 4.195 124.666 120.570 -0.166 0.000 2.396 459 I HA 0.328 4.500 4.170 0.003 0.000 0.289 459 I C 0.841 176.739 176.117 -0.365 0.000 1.056 459 I CA 0.862 61.973 61.300 -0.316 0.000 1.365 459 I CB 0.309 38.022 38.000 -0.479 0.000 1.407 459 I HN 0.937 nan 8.210 nan 0.000 0.509 460 S N 0.000 115.515 115.700 -0.308 0.000 2.498 460 S HA 0.000 4.472 4.470 0.003 0.000 0.327 460 S CA 0.000 58.085 58.200 -0.192 0.000 1.107 460 S CB 0.000 63.168 63.200 -0.053 0.000 0.593 460 S HN 0.000 nan 8.310 nan 0.000 0.517