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 2uuo_1_A DATA FIRST_RESID 1 DATA SEQUENCE ADYQGKNVVI IGLGLTGLSC VDFFLARGVT PRVMDTRMTP PGLDKLPEAV DATA SEQUENCE ERHTGSLNDE WLMAADLIVA SPGIALAHPS LSAAADAGIE IVGDIELFCR DATA SEQUENCE EAQAPIVAIT GSNGKSTVTT LVGEMAKAAG VNVGVGGNIG LPALMLLDDE DATA SEQUENCE CELYVLELSS FQLETTSSLQ AVAATILNVT EDHMDRYPFG LQQYRAAXLR DATA SEQUENCE IYENAKVcVV NADDALTMPX XXXXXRcVSF GVNMGDYHLN HXXXETWLRV DATA SEQUENCE KGEKVLNVKE MKLSGQHNYT NALAALALAD AAGLPRASSL KALTTFTGLP DATA SEQUENCE HRFEVVLEHN GVRWINDSKA TNVGSTEAAL NGLHVDGTLH LLLGGDGKSA DATA SEQUENCE DFSPLARYLN GDNVRLYCFG RDGAQLAALR PEVAEQTETM EQAMRLLAPR DATA SEQUENCE VQPGDMVLLS PACASLDQFK NFEQRGNEFA RLAKELGSH VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.324 177.584 -0.434 0.000 1.274 1 A CA 0.000 51.876 52.037 -0.269 0.000 0.836 1 A CB 0.000 18.785 19.000 -0.357 0.000 0.831 2 D N -0.035 120.074 120.400 -0.486 0.000 2.408 2 D HA 0.628 5.118 4.640 -0.251 0.000 0.243 2 D C -0.595 175.452 176.300 -0.420 0.000 1.075 2 D CA 0.070 53.860 54.000 -0.351 0.000 0.832 2 D CB 0.718 41.423 40.800 -0.159 0.000 1.162 2 D HN 0.370 nan 8.370 nan 0.000 0.515 3 Y N 1.019 121.388 120.300 0.116 0.000 2.467 3 Y HA 0.208 4.804 4.550 0.076 0.000 0.250 3 Y C 1.125 177.079 175.900 0.090 0.000 1.155 3 Y CA -0.335 57.858 58.100 0.154 0.000 1.249 3 Y CB 0.005 38.675 38.460 0.348 0.000 1.146 3 Y HN 0.236 nan 8.280 nan 0.000 0.524 4 Q N 0.439 120.327 119.800 0.146 0.000 2.304 4 Q HA 0.110 4.300 4.340 -0.251 0.000 0.301 4 Q C 1.360 177.394 176.000 0.057 0.000 1.063 4 Q CA 1.355 57.209 55.803 0.086 0.000 0.947 4 Q CB 0.349 29.111 28.738 0.041 0.000 1.201 4 Q HN 0.716 nan 8.270 nan 0.000 0.389 5 G N 2.441 111.263 108.800 0.037 0.000 2.196 5 G HA2 -0.336 3.474 3.960 -0.251 0.000 0.268 5 G HA3 -0.336 3.474 3.960 -0.251 0.000 0.268 5 G C 0.016 174.920 174.900 0.007 0.000 0.975 5 G CA 0.540 45.648 45.100 0.013 0.000 0.648 5 G HN 0.494 nan 8.290 nan 0.000 0.538 6 K N 0.430 120.847 120.400 0.029 0.000 2.218 6 K HA 0.275 4.445 4.320 -0.251 0.000 0.276 6 K C 0.271 176.841 176.600 -0.051 0.000 1.022 6 K CA -0.391 55.904 56.287 0.014 0.000 0.946 6 K CB 0.687 33.236 32.500 0.081 0.000 1.000 6 K HN 0.306 nan 8.250 nan 0.000 0.468 7 N N 2.297 120.954 118.700 -0.071 0.000 2.415 7 N HA 0.115 4.704 4.740 -0.251 0.000 0.246 7 N C -1.213 174.200 175.510 -0.162 0.000 1.078 7 N CA -0.472 52.504 53.050 -0.123 0.000 0.942 7 N CB 0.568 38.992 38.487 -0.105 0.000 1.140 7 N HN 0.100 nan 8.380 nan 0.000 0.501 8 V N 3.869 123.632 119.914 -0.253 0.000 2.435 8 V HA 0.375 4.345 4.120 -0.251 0.000 0.290 8 V C -0.053 175.864 176.094 -0.295 0.000 1.030 8 V CA -0.740 61.350 62.300 -0.350 0.000 0.881 8 V CB 1.599 32.975 31.823 -0.745 0.000 0.983 8 V HN 0.332 nan 8.190 nan 0.000 0.445 9 V N 6.234 126.028 119.914 -0.199 0.000 2.448 9 V HA 0.523 4.492 4.120 -0.251 0.000 0.295 9 V C -0.275 175.784 176.094 -0.059 0.000 1.025 9 V CA -0.425 61.815 62.300 -0.100 0.000 0.859 9 V CB 1.837 33.650 31.823 -0.017 0.000 0.988 9 V HN 0.681 nan 8.190 nan 0.000 0.431 10 I N 5.533 126.096 120.570 -0.012 0.000 2.354 10 I HA 0.475 4.495 4.170 -0.251 0.000 0.292 10 I C -0.487 175.662 176.117 0.052 0.000 0.989 10 I CA -0.368 60.949 61.300 0.028 0.000 1.188 10 I CB 1.730 39.766 38.000 0.060 0.000 1.342 10 I HN 0.437 nan 8.210 nan 0.000 0.457 11 I N 5.943 126.533 120.570 0.033 0.000 2.328 11 I HA 0.566 4.586 4.170 -0.251 0.000 0.287 11 I C 0.354 176.484 176.117 0.022 0.000 1.012 11 I CA -0.311 61.003 61.300 0.024 0.000 1.195 11 I CB 1.164 39.157 38.000 -0.012 0.000 1.350 11 I HN 0.807 nan 8.210 nan 0.000 0.464 12 G N 4.903 113.723 108.800 0.033 0.000 3.225 12 G HA2 -0.031 3.779 3.960 -0.251 0.000 0.686 12 G HA3 -0.031 3.779 3.960 -0.251 0.000 0.686 12 G C -1.135 173.791 174.900 0.042 0.000 1.105 12 G CA -0.869 44.250 45.100 0.031 0.000 0.831 12 G HN 0.380 nan 8.290 nan 0.000 0.578 13 L N 2.617 123.865 121.223 0.042 0.000 2.664 13 L HA 0.981 5.170 4.340 -0.251 0.000 0.166 13 L C 2.045 178.938 176.870 0.039 0.000 1.824 13 L CA 1.798 56.665 54.840 0.045 0.000 3.021 13 L CB -0.365 41.721 42.059 0.045 0.000 2.992 13 L HN 2.753 nan 8.230 nan 0.000 0.755 14 G N -0.735 108.087 108.800 0.036 0.000 2.698 14 G HA2 -0.295 3.514 3.960 -0.251 0.000 0.233 14 G HA3 -0.295 3.514 3.960 -0.251 0.000 0.233 14 G C 0.335 175.256 174.900 0.034 0.000 1.352 14 G CA 0.147 45.267 45.100 0.033 0.000 0.879 14 G HN 0.798 nan 8.290 nan 0.000 0.567 15 L N 0.027 121.268 121.223 0.031 0.000 2.083 15 L HA 0.079 4.268 4.340 -0.251 0.000 0.209 15 L C 3.092 179.980 176.870 0.031 0.000 1.083 15 L CA 3.447 58.305 54.840 0.030 0.000 0.752 15 L CB -0.932 41.142 42.059 0.026 0.000 0.899 15 L HN 0.816 nan 8.230 nan 0.000 0.433 16 T N -0.806 113.765 114.554 0.028 0.000 2.674 16 T HA -0.106 4.093 4.350 -0.251 0.000 0.265 16 T C 1.695 176.414 174.700 0.030 0.000 1.039 16 T CA 1.320 63.432 62.100 0.021 0.000 1.150 16 T CB -0.894 67.985 68.868 0.018 0.000 0.864 16 T HN 0.558 nan 8.240 nan 0.000 0.427 17 G N 1.313 110.136 108.800 0.039 0.000 2.469 17 G HA2 -0.181 3.629 3.960 -0.251 0.000 0.219 17 G HA3 -0.181 3.629 3.960 -0.251 0.000 0.219 17 G C 1.526 176.467 174.900 0.068 0.000 1.150 17 G CA 0.697 45.830 45.100 0.054 0.000 0.763 17 G HN 0.438 nan 8.290 nan 0.000 0.561 18 L N 1.370 122.628 121.223 0.059 0.000 2.056 18 L HA -0.105 4.084 4.340 -0.251 0.000 0.207 18 L C 3.350 180.263 176.870 0.073 0.000 1.078 18 L CA 1.511 56.390 54.840 0.065 0.000 0.749 18 L CB -0.460 41.631 42.059 0.052 0.000 0.901 18 L HN 0.442 nan 8.230 nan 0.000 0.433 19 S N -1.270 114.465 115.700 0.059 0.000 2.400 19 S HA -0.211 4.108 4.470 -0.251 0.000 0.232 19 S C 2.054 176.701 174.600 0.078 0.000 1.025 19 S CA 1.280 59.518 58.200 0.063 0.000 0.993 19 S CB -1.032 62.192 63.200 0.040 0.000 0.808 19 S HN 0.442 nan 8.310 nan 0.000 0.478 20 C N 1.018 120.359 119.300 0.068 0.000 2.466 20 C HA 0.106 4.416 4.460 -0.251 0.000 0.278 20 C C 2.803 177.938 174.990 0.242 0.000 1.288 20 C CA 0.454 59.523 59.018 0.086 0.000 1.722 20 C CB -1.351 26.450 27.740 0.101 0.000 2.017 20 C HN 0.533 nan 8.230 nan 0.000 0.488 21 V N 1.607 121.650 119.914 0.215 0.000 2.255 21 V HA -0.249 3.721 4.120 -0.251 0.000 0.247 21 V C 2.166 178.379 176.094 0.198 0.000 1.051 21 V CA 2.332 64.768 62.300 0.227 0.000 1.018 21 V CB -0.759 31.145 31.823 0.134 0.000 0.641 21 V HN 0.518 nan 8.190 nan 0.000 0.445 22 D N -0.620 119.862 120.400 0.136 0.000 2.149 22 D HA -0.204 4.285 4.640 -0.251 0.000 0.198 22 D C 1.938 178.284 176.300 0.077 0.000 0.990 22 D CA 1.495 55.551 54.000 0.094 0.000 0.839 22 D CB -0.302 40.543 40.800 0.076 0.000 0.948 22 D HN 0.487 nan 8.370 nan 0.000 0.460 23 F N 0.966 120.866 119.950 -0.083 0.000 2.065 23 F HA -0.279 4.083 4.527 -0.275 0.000 0.298 23 F C 2.041 177.676 175.800 -0.275 0.000 1.112 23 F CA 1.557 59.415 58.000 -0.237 0.000 1.212 23 F CB -0.371 38.378 39.000 -0.418 0.000 0.975 23 F HN -0.180 nan 8.300 nan 0.000 0.476 24 F N 0.277 120.282 119.950 0.091 0.000 2.163 24 F HA -0.093 4.245 4.527 -0.314 0.000 0.297 24 F C 2.189 177.953 175.800 -0.060 0.000 1.094 24 F CA 1.169 59.153 58.000 -0.026 0.000 1.290 24 F CB -1.068 37.958 39.000 0.044 0.000 1.017 24 F HN -0.070 nan 8.300 nan 0.000 0.483 25 L N -0.069 121.244 121.223 0.150 0.000 1.990 25 L HA -0.264 3.926 4.340 -0.251 0.000 0.213 25 L C 2.733 179.609 176.870 0.010 0.000 1.072 25 L CA 1.430 56.313 54.840 0.071 0.000 0.755 25 L CB -1.244 40.850 42.059 0.059 0.000 0.889 25 L HN 0.149 nan 8.230 nan 0.000 0.432 26 A N -0.184 122.614 122.820 -0.036 0.000 2.084 26 A HA -0.200 3.970 4.320 -0.251 0.000 0.221 26 A C 2.183 179.708 177.584 -0.098 0.000 1.161 26 A CA 1.538 53.532 52.037 -0.072 0.000 0.653 26 A CB -0.512 18.426 19.000 -0.103 0.000 0.802 26 A HN 0.405 nan 8.150 nan 0.000 0.457 27 R N -1.489 118.939 120.500 -0.120 0.000 2.427 27 R HA 0.279 4.469 4.340 -0.251 0.000 0.262 27 R C 0.959 177.257 176.300 -0.003 0.000 0.943 27 R CA 0.434 56.474 56.100 -0.100 0.000 1.081 27 R CB 0.002 30.191 30.300 -0.184 0.000 1.166 27 R HN 0.602 nan 8.270 nan 0.000 0.534 28 G N 0.947 109.751 108.800 0.007 0.000 2.246 28 G HA2 -0.239 3.571 3.960 -0.251 0.000 0.273 28 G HA3 -0.239 3.571 3.960 -0.251 0.000 0.273 28 G C -0.207 174.722 174.900 0.049 0.000 1.055 28 G CA 0.173 45.287 45.100 0.024 0.000 0.851 28 G HN 0.165 nan 8.290 nan 0.000 0.500 29 V N 0.020 119.985 119.914 0.085 0.000 2.577 29 V HA 0.625 4.594 4.120 -0.251 0.000 0.303 29 V C 0.267 176.393 176.094 0.053 0.000 1.042 29 V CA -0.444 61.905 62.300 0.081 0.000 0.872 29 V CB 2.183 34.102 31.823 0.160 0.000 0.998 29 V HN 0.286 nan 8.190 nan 0.000 0.423 30 T N 7.333 121.879 114.554 -0.013 0.000 2.781 30 T HA 0.420 4.620 4.350 -0.251 0.000 0.305 30 T C -2.152 172.485 174.700 -0.105 0.000 1.001 30 T CA -0.728 61.352 62.100 -0.033 0.000 0.950 30 T CB 1.186 70.030 68.868 -0.040 0.000 0.955 30 T HN 0.560 nan 8.240 nan 0.000 0.471 31 P HA 0.450 nan 4.420 nan 0.000 0.279 31 P C -0.650 176.548 177.300 -0.170 0.000 1.276 31 P CA -0.906 62.073 63.100 -0.202 0.000 0.801 31 P CB 1.413 32.986 31.700 -0.211 0.000 1.127 32 R N -0.338 120.032 120.500 -0.217 0.000 2.589 32 R HA 0.619 4.808 4.340 -0.251 0.000 0.293 32 R C -0.734 175.562 176.300 -0.006 0.000 0.963 32 R CA -1.081 54.886 56.100 -0.222 0.000 0.905 32 R CB 2.126 32.030 30.300 -0.659 0.000 1.144 32 R HN 0.323 nan 8.270 nan 0.000 0.459 33 V N 4.518 124.520 119.914 0.147 0.000 2.628 33 V HA 0.692 4.661 4.120 -0.251 0.000 0.306 33 V C -0.657 175.627 176.094 0.317 0.000 1.045 33 V CA -0.746 61.670 62.300 0.192 0.000 0.905 33 V CB 1.793 33.690 31.823 0.123 0.000 0.997 33 V HN 0.833 nan 8.190 nan 0.000 0.436 34 M N 4.143 123.880 119.600 0.228 0.000 2.518 34 M HA 0.735 5.065 4.480 -0.251 0.000 0.300 34 M C -1.747 174.610 176.300 0.095 0.000 1.175 34 M CA -0.527 54.884 55.300 0.185 0.000 0.890 34 M CB 2.459 35.158 32.600 0.165 0.000 1.710 34 M HN 0.607 nan 8.290 nan 0.000 0.453 35 D N 1.332 121.771 120.400 0.065 0.000 2.947 35 D HA 0.228 4.718 4.640 -0.251 0.000 0.224 35 D C 0.373 176.681 176.300 0.013 0.000 1.230 35 D CA -0.066 53.953 54.000 0.031 0.000 0.871 35 D CB 2.700 43.517 40.800 0.027 0.000 1.671 35 D HN 0.901 nan 8.370 nan 0.000 0.507 36 T N 0.474 115.033 114.554 0.008 0.000 3.007 36 T HA 0.041 4.241 4.350 -0.251 0.000 0.270 36 T C 0.994 175.692 174.700 -0.005 0.000 1.107 36 T CA 0.464 62.568 62.100 0.006 0.000 1.118 36 T CB 0.105 68.985 68.868 0.019 0.000 0.889 36 T HN 0.181 nan 8.240 nan 0.000 0.506 37 R N 0.113 120.610 120.500 -0.005 0.000 2.410 37 R HA 0.484 4.674 4.340 -0.251 0.000 0.288 37 R C 1.169 177.453 176.300 -0.026 0.000 1.051 37 R CA -0.609 55.485 56.100 -0.009 0.000 1.021 37 R CB 0.583 30.884 30.300 0.002 0.000 1.032 37 R HN 0.014 nan 8.270 nan 0.000 0.481 38 M N 1.368 120.949 119.600 -0.031 0.000 2.117 38 M HA -0.111 4.219 4.480 -0.251 0.000 0.262 38 M C 0.497 176.776 176.300 -0.035 0.000 1.065 38 M CA 1.834 57.106 55.300 -0.046 0.000 1.114 38 M CB 0.250 32.825 32.600 -0.041 0.000 1.361 38 M HN 0.691 nan 8.290 nan 0.000 0.408 39 T N -0.752 113.791 114.554 -0.018 0.000 3.141 39 T HA 0.549 4.748 4.350 -0.251 0.000 0.377 39 T C -2.633 172.068 174.700 0.001 0.000 1.258 39 T CA -1.600 60.494 62.100 -0.009 0.000 1.263 39 T CB 0.546 69.410 68.868 -0.007 0.000 1.066 39 T HN 0.143 nan 8.240 nan 0.000 0.546 40 P HA 0.389 nan 4.420 nan 0.000 0.274 40 P C -2.831 174.479 177.300 0.018 0.000 1.231 40 P CA -1.652 61.457 63.100 0.014 0.000 0.790 40 P CB -0.053 31.659 31.700 0.020 0.000 0.951 41 P HA 0.144 nan 4.420 nan 0.000 0.268 41 P C 0.990 178.304 177.300 0.025 0.000 1.204 41 P CA 1.041 64.154 63.100 0.021 0.000 0.768 41 P CB 0.025 31.738 31.700 0.022 0.000 0.842 42 G N 2.054 110.868 108.800 0.024 0.000 2.194 42 G HA2 -0.304 3.505 3.960 -0.251 0.000 0.236 42 G HA3 -0.304 3.505 3.960 -0.251 0.000 0.236 42 G C 0.887 175.805 174.900 0.029 0.000 0.987 42 G CA 0.169 45.285 45.100 0.027 0.000 0.635 42 G HN 0.548 nan 8.290 nan 0.000 0.520 43 L N 0.558 121.797 121.223 0.026 0.000 2.051 43 L HA -0.115 4.074 4.340 -0.251 0.000 0.214 43 L C 2.256 179.142 176.870 0.027 0.000 1.076 43 L CA 2.502 57.358 54.840 0.027 0.000 0.758 43 L CB -0.219 41.851 42.059 0.020 0.000 0.890 43 L HN 0.299 nan 8.230 nan 0.000 0.433 44 D N -0.575 119.838 120.400 0.022 0.000 2.347 44 D HA -0.103 4.386 4.640 -0.251 0.000 0.215 44 D C 1.581 177.895 176.300 0.023 0.000 0.976 44 D CA 0.738 54.750 54.000 0.020 0.000 0.884 44 D CB 0.181 40.991 40.800 0.016 0.000 0.915 44 D HN 0.276 nan 8.370 nan 0.000 0.526 45 K N 0.175 120.591 120.400 0.026 0.000 2.374 45 K HA 0.148 4.318 4.320 -0.251 0.000 0.196 45 K C 0.330 176.949 176.600 0.033 0.000 1.023 45 K CA -0.258 56.046 56.287 0.028 0.000 1.103 45 K CB 0.176 32.693 32.500 0.028 0.000 0.848 45 K HN 0.017 nan 8.250 nan 0.000 0.528 46 L N 2.150 123.395 121.223 0.036 0.000 2.290 46 L HA 0.323 4.512 4.340 -0.251 0.000 0.284 46 L C -2.509 174.384 176.870 0.039 0.000 1.078 46 L CA -2.195 52.670 54.840 0.042 0.000 0.815 46 L CB 0.400 42.488 42.059 0.049 0.000 1.162 46 L HN -0.071 nan 8.230 nan 0.000 0.435 47 P HA 0.084 nan 4.420 nan 0.000 0.265 47 P C -0.155 177.164 177.300 0.032 0.000 1.193 47 P CA -0.035 63.084 63.100 0.032 0.000 0.765 47 P CB 0.629 32.348 31.700 0.032 0.000 0.823 48 E N 2.425 122.641 120.200 0.027 0.000 2.153 48 E HA -0.155 4.045 4.350 -0.251 0.000 0.194 48 E C 1.874 178.489 176.600 0.025 0.000 0.988 48 E CA 1.579 57.996 56.400 0.028 0.000 0.811 48 E CB -0.842 28.872 29.700 0.023 0.000 0.746 48 E HN 0.501 nan 8.360 nan 0.000 0.466 49 A N 0.692 123.523 122.820 0.019 0.000 2.216 49 A HA 0.025 4.195 4.320 -0.251 0.000 0.214 49 A C 0.740 178.326 177.584 0.004 0.000 1.160 49 A CA 0.234 52.277 52.037 0.010 0.000 0.725 49 A CB -0.039 18.965 19.000 0.006 0.000 0.784 49 A HN 0.070 nan 8.150 nan 0.000 0.472 50 V N 1.708 121.631 119.914 0.015 0.000 2.364 50 V HA 0.140 4.109 4.120 -0.251 0.000 0.272 50 V C 0.008 176.120 176.094 0.030 0.000 1.036 50 V CA -0.737 61.570 62.300 0.010 0.000 0.880 50 V CB 0.915 32.756 31.823 0.029 0.000 0.991 50 V HN 0.468 nan 8.190 nan 0.000 0.460 51 E N 5.525 125.724 120.200 -0.001 0.000 2.373 51 E HA 0.383 4.583 4.350 -0.251 0.000 0.267 51 E C -0.081 176.649 176.600 0.218 0.000 1.032 51 E CA -0.422 56.024 56.400 0.077 0.000 0.889 51 E CB 0.841 30.506 29.700 -0.060 0.000 0.984 51 E HN 0.605 nan 8.360 nan 0.000 0.425 52 R N 2.167 122.890 120.500 0.372 0.000 2.771 52 R HA 0.444 4.633 4.340 -0.251 0.000 0.274 52 R C -1.671 174.844 176.300 0.359 0.000 0.987 52 R CA -0.930 55.398 56.100 0.380 0.000 0.908 52 R CB 1.109 31.518 30.300 0.181 0.000 1.213 52 R HN 0.719 nan 8.270 nan 0.000 0.468 53 H N 0.774 119.894 119.070 0.082 0.000 3.078 53 H HA 0.394 4.800 4.556 -0.251 0.000 0.319 53 H C -1.125 174.129 175.328 -0.123 0.000 0.995 53 H CA -0.076 55.840 56.048 -0.222 0.000 1.417 53 H CB 1.222 30.511 29.762 -0.789 0.000 1.598 53 H HN 0.958 nan 8.280 nan 0.000 0.515 54 T N 1.200 115.540 114.554 -0.356 0.000 2.949 54 T HA 0.556 4.756 4.350 -0.251 0.000 0.287 54 T C 1.123 175.652 174.700 -0.285 0.000 1.034 54 T CA -0.284 61.688 62.100 -0.214 0.000 1.018 54 T CB 1.540 70.345 68.868 -0.105 0.000 1.135 54 T HN 1.089 nan 8.240 nan 0.000 0.532 55 G N 0.150 108.866 108.800 -0.140 0.000 2.176 55 G HA2 0.032 3.842 3.960 -0.251 0.000 0.253 55 G HA3 0.032 3.842 3.960 -0.251 0.000 0.253 55 G C 0.282 175.140 174.900 -0.070 0.000 0.979 55 G CA 0.556 45.590 45.100 -0.111 0.000 0.641 55 G HN 2.364 nan 8.290 nan 0.000 0.530 56 S N -1.988 113.688 115.700 -0.040 0.000 2.701 56 S HA 0.566 4.886 4.470 -0.251 0.000 0.267 56 S C -0.791 173.876 174.600 0.112 0.000 1.034 56 S CA -0.593 57.632 58.200 0.042 0.000 0.867 56 S CB 0.940 64.175 63.200 0.057 0.000 1.123 56 S HN 0.973 nan 8.310 nan 0.000 0.470 57 L N 1.797 123.044 121.223 0.040 0.000 2.399 57 L HA 0.555 4.745 4.340 -0.251 0.000 0.266 57 L C 0.207 176.961 176.870 -0.193 0.000 1.114 57 L CA -0.806 54.001 54.840 -0.056 0.000 0.804 57 L CB 0.725 42.697 42.059 -0.145 0.000 1.146 57 L HN 0.758 nan 8.230 nan 0.000 0.451 58 N N 1.270 119.721 118.700 -0.414 0.000 2.558 58 N HA 0.086 4.675 4.740 -0.251 0.000 0.242 58 N C -0.004 175.333 175.510 -0.288 0.000 0.979 58 N CA -0.280 52.364 53.050 -0.676 0.000 0.931 58 N CB 1.109 38.730 38.487 -1.444 0.000 1.122 58 N HN 0.532 nan 8.380 nan 0.000 0.508 59 D N 2.129 122.419 120.400 -0.183 0.000 2.264 59 D HA -0.118 4.372 4.640 -0.251 0.000 0.208 59 D C 0.860 177.145 176.300 -0.026 0.000 0.966 59 D CA 1.086 55.042 54.000 -0.075 0.000 0.864 59 D CB 0.594 41.367 40.800 -0.045 0.000 0.933 59 D HN 0.694 nan 8.370 nan 0.000 0.499 60 E N -0.254 119.922 120.200 -0.040 0.000 2.106 60 E HA -0.141 4.058 4.350 -0.251 0.000 0.192 60 E C 1.919 178.640 176.600 0.203 0.000 0.984 60 E CA 0.530 56.967 56.400 0.061 0.000 0.806 60 E CB -0.029 29.710 29.700 0.066 0.000 0.750 60 E HN 0.340 nan 8.360 nan 0.000 0.458 61 W N 1.004 122.236 121.300 -0.113 0.000 2.409 61 W HA 0.008 4.523 4.660 -0.243 0.000 0.299 61 W C 2.008 178.477 176.519 -0.084 0.000 1.203 61 W CA 0.378 57.663 57.345 -0.100 0.000 1.298 61 W CB -0.825 28.560 29.460 -0.125 0.000 1.127 61 W HN 0.048 nan 8.180 nan 0.000 0.528 62 L N -0.460 120.849 121.223 0.144 0.000 2.027 62 L HA -0.220 3.969 4.340 -0.251 0.000 0.206 62 L C 2.261 179.152 176.870 0.035 0.000 1.074 62 L CA 0.974 55.848 54.840 0.058 0.000 0.745 62 L CB -0.735 41.330 42.059 0.010 0.000 0.898 62 L HN -0.118 nan 8.230 nan 0.000 0.433 63 M N -0.913 118.708 119.600 0.035 0.000 2.562 63 M HA -0.000 4.329 4.480 -0.251 0.000 0.257 63 M C 2.034 178.346 176.300 0.020 0.000 1.099 63 M CA 0.842 56.155 55.300 0.023 0.000 1.099 63 M CB -0.994 31.617 32.600 0.020 0.000 1.427 63 M HN 0.212 nan 8.290 nan 0.000 0.489 64 A N -0.112 122.723 122.820 0.026 0.000 2.220 64 A HA 0.526 4.695 4.320 -0.251 0.000 0.211 64 A C 1.253 178.826 177.584 -0.018 0.000 1.176 64 A CA 0.287 52.328 52.037 0.005 0.000 0.834 64 A CB -0.205 18.799 19.000 0.007 0.000 0.868 64 A HN 0.342 nan 8.150 nan 0.000 0.488 65 A N 0.086 122.896 122.820 -0.017 0.000 2.351 65 A HA 0.426 4.596 4.320 -0.251 0.000 0.257 65 A C 0.371 177.940 177.584 -0.024 0.000 1.087 65 A CA 0.030 52.044 52.037 -0.038 0.000 0.798 65 A CB 0.288 19.266 19.000 -0.037 0.000 1.033 65 A HN 0.299 nan 8.150 nan 0.000 0.488 66 D N -0.555 119.828 120.400 -0.029 0.000 2.355 66 D HA 0.157 4.646 4.640 -0.251 0.000 0.206 66 D C -0.463 175.846 176.300 0.015 0.000 1.010 66 D CA 0.821 54.820 54.000 -0.001 0.000 0.875 66 D CB 0.415 41.219 40.800 0.006 0.000 0.966 66 D HN 0.256 nan 8.370 nan 0.000 0.512 67 L N 0.997 122.214 121.223 -0.010 0.000 2.516 67 L HA 0.383 4.572 4.340 -0.251 0.000 0.267 67 L C -1.701 175.144 176.870 -0.042 0.000 0.957 67 L CA -0.418 54.422 54.840 0.001 0.000 0.860 67 L CB 2.197 44.275 42.059 0.032 0.000 1.265 67 L HN -0.230 nan 8.230 nan 0.000 0.403 68 I N 5.537 126.099 120.570 -0.013 0.000 2.339 68 I HA 0.424 4.444 4.170 -0.251 0.000 0.290 68 I C -0.624 175.491 176.117 -0.003 0.000 0.994 68 I CA -0.898 60.392 61.300 -0.018 0.000 1.191 68 I CB 1.814 39.809 38.000 -0.008 0.000 1.343 68 I HN 0.230 nan 8.210 nan 0.000 0.458 69 V N 6.438 126.349 119.914 -0.005 0.000 2.318 69 V HA 0.485 4.455 4.120 -0.251 0.000 0.271 69 V C 0.520 176.622 176.094 0.014 0.000 1.030 69 V CA -0.462 61.852 62.300 0.023 0.000 0.844 69 V CB 1.077 32.945 31.823 0.076 0.000 1.015 69 V HN 0.809 nan 8.190 nan 0.000 0.460 70 A N 4.023 126.847 122.820 0.006 0.000 2.290 70 A HA 0.680 4.850 4.320 -0.251 0.000 0.310 70 A C 0.455 178.038 177.584 -0.001 0.000 1.202 70 A CA -0.262 51.772 52.037 -0.005 0.000 0.837 70 A CB 1.067 20.057 19.000 -0.016 0.000 1.139 70 A HN 0.822 nan 8.150 nan 0.000 0.509 71 S N 3.208 118.906 115.700 -0.003 0.000 2.579 71 S HA 0.249 4.568 4.470 -0.251 0.000 0.275 71 S C -0.937 173.661 174.600 -0.003 0.000 1.345 71 S CA -0.644 57.559 58.200 0.005 0.000 1.031 71 S CB 0.465 63.670 63.200 0.008 0.000 0.892 71 S HN 0.559 nan 8.310 nan 0.000 0.529 72 P HA 0.010 nan 4.420 nan 0.000 0.222 72 P C 1.327 178.594 177.300 -0.056 0.000 1.147 72 P CA 1.292 64.430 63.100 0.064 0.000 0.790 72 P CB -0.507 31.299 31.700 0.176 0.000 0.780 73 G N -0.339 108.445 108.800 -0.028 0.000 2.679 73 G HA2 -0.028 3.781 3.960 -0.251 0.000 0.212 73 G HA3 -0.028 3.781 3.960 -0.251 0.000 0.212 73 G C 0.632 175.444 174.900 -0.147 0.000 1.137 73 G CA -0.054 45.002 45.100 -0.072 0.000 0.787 73 G HN 0.359 nan 8.290 nan 0.000 0.534 74 I N 0.471 120.953 120.570 -0.148 0.000 2.474 74 I HA 0.678 4.697 4.170 -0.251 0.000 0.294 74 I C -0.039 175.974 176.117 -0.172 0.000 1.005 74 I CA -1.244 59.980 61.300 -0.126 0.000 1.113 74 I CB 1.879 39.831 38.000 -0.080 0.000 1.289 74 I HN 0.011 nan 8.210 nan 0.000 0.436 75 A N 7.051 129.779 122.820 -0.154 0.000 2.366 75 A HA 0.353 4.522 4.320 -0.251 0.000 0.272 75 A C 0.859 178.417 177.584 -0.044 0.000 1.135 75 A CA -0.378 51.560 52.037 -0.165 0.000 0.804 75 A CB 0.476 19.374 19.000 -0.169 0.000 1.064 75 A HN 0.965 nan 8.150 nan 0.000 0.499 76 L N 2.139 123.338 121.223 -0.040 0.000 2.187 76 L HA -0.220 3.969 4.340 -0.251 0.000 0.213 76 L C 2.686 179.578 176.870 0.037 0.000 1.100 76 L CA 1.401 56.246 54.840 0.007 0.000 0.765 76 L CB -0.338 41.732 42.059 0.018 0.000 0.904 76 L HN 0.860 nan 8.230 nan 0.000 0.437 77 A N -1.713 121.126 122.820 0.030 0.000 2.216 77 A HA -0.158 4.012 4.320 -0.251 0.000 0.214 77 A C 1.058 178.678 177.584 0.061 0.000 1.160 77 A CA 0.242 52.306 52.037 0.046 0.000 0.725 77 A CB -0.793 18.232 19.000 0.042 0.000 0.784 77 A HN 0.360 nan 8.150 nan 0.000 0.472 78 H N 0.613 119.663 119.070 -0.034 0.000 3.004 78 H HA 0.088 4.495 4.556 -0.249 0.000 0.316 78 H C -1.749 173.569 175.328 -0.017 0.000 1.014 78 H CA -1.589 54.440 56.048 -0.032 0.000 1.454 78 H CB 0.957 30.693 29.762 -0.043 0.000 1.472 78 H HN 0.021 nan 8.280 nan 0.000 0.571 79 P HA -0.186 nan 4.420 nan 0.000 0.218 79 P C 1.599 179.022 177.300 0.205 0.000 1.154 79 P CA 1.886 65.068 63.100 0.138 0.000 0.872 79 P CB 0.287 32.006 31.700 0.031 0.000 0.790 80 S N -1.137 114.782 115.700 0.364 0.000 2.368 80 S HA -0.099 4.220 4.470 -0.251 0.000 0.225 80 S C 1.822 176.434 174.600 0.020 0.000 1.030 80 S CA 1.053 59.307 58.200 0.090 0.000 0.999 80 S CB -0.963 62.188 63.200 -0.081 0.000 0.844 80 S HN 0.122 nan 8.310 nan 0.000 0.459 81 L N 0.505 121.736 121.223 0.013 0.000 2.131 81 L HA -0.025 4.165 4.340 -0.251 0.000 0.206 81 L C 2.675 179.564 176.870 0.032 0.000 1.087 81 L CA 0.829 55.669 54.840 -0.001 0.000 0.767 81 L CB -0.539 41.514 42.059 -0.012 0.000 0.917 81 L HN 0.318 nan 8.230 nan 0.000 0.441 82 S N -0.019 115.718 115.700 0.062 0.000 2.359 82 S HA -0.229 4.091 4.470 -0.251 0.000 0.224 82 S C 2.129 176.752 174.600 0.038 0.000 1.035 82 S CA 1.462 59.692 58.200 0.050 0.000 1.018 82 S CB -0.076 63.158 63.200 0.058 0.000 0.876 82 S HN 0.459 nan 8.310 nan 0.000 0.448 83 A N 1.014 123.858 122.820 0.040 0.000 1.933 83 A HA 0.178 4.347 4.320 -0.251 0.000 0.218 83 A C 2.396 179.992 177.584 0.021 0.000 1.175 83 A CA 1.865 53.920 52.037 0.029 0.000 0.628 83 A CB -1.190 17.828 19.000 0.029 0.000 0.814 83 A HN 0.728 nan 8.150 nan 0.000 0.444 84 A N -0.338 122.493 122.820 0.018 0.000 1.929 84 A HA 0.273 4.443 4.320 -0.251 0.000 0.216 84 A C 2.458 180.051 177.584 0.015 0.000 1.176 84 A CA 1.715 53.760 52.037 0.013 0.000 0.628 84 A CB -0.853 18.151 19.000 0.007 0.000 0.816 84 A HN 0.958 nan 8.150 nan 0.000 0.444 85 A N 0.481 123.311 122.820 0.018 0.000 1.877 85 A HA -0.174 3.996 4.320 -0.251 0.000 0.216 85 A C 1.708 179.303 177.584 0.017 0.000 1.186 85 A CA 1.834 53.882 52.037 0.019 0.000 0.620 85 A CB -0.611 18.402 19.000 0.021 0.000 0.822 85 A HN 0.441 nan 8.150 nan 0.000 0.443 86 D N 0.383 120.794 120.400 0.018 0.000 2.149 86 D HA -0.096 4.394 4.640 -0.251 0.000 0.198 86 D C 1.953 178.262 176.300 0.014 0.000 0.990 86 D CA 1.564 55.573 54.000 0.016 0.000 0.839 86 D CB -0.438 40.372 40.800 0.017 0.000 0.948 86 D HN 0.458 nan 8.370 nan 0.000 0.460 87 A N -0.298 122.530 122.820 0.014 0.000 2.209 87 A HA 0.332 4.502 4.320 -0.251 0.000 0.212 87 A C 1.827 179.418 177.584 0.013 0.000 1.158 87 A CA 1.273 53.317 52.037 0.013 0.000 0.742 87 A CB -0.336 18.672 19.000 0.012 0.000 0.790 87 A HN 0.297 nan 8.150 nan 0.000 0.472 88 G N -1.077 107.732 108.800 0.014 0.000 2.141 88 G HA2 -0.213 3.596 3.960 -0.251 0.000 0.242 88 G HA3 -0.213 3.596 3.960 -0.251 0.000 0.242 88 G C 0.071 174.981 174.900 0.017 0.000 0.982 88 G CA 0.153 45.262 45.100 0.015 0.000 0.662 88 G HN 0.480 nan 8.290 nan 0.000 0.527 89 I N 1.212 121.792 120.570 0.016 0.000 2.416 89 I HA 0.208 4.228 4.170 -0.251 0.000 0.288 89 I C 0.983 177.114 176.117 0.023 0.000 1.051 89 I CA -0.358 60.952 61.300 0.017 0.000 1.375 89 I CB 1.084 39.091 38.000 0.013 0.000 1.407 89 I HN 0.268 nan 8.210 nan 0.000 0.516 90 E N 7.194 127.413 120.200 0.031 0.000 2.366 90 E HA 0.211 4.411 4.350 -0.251 0.000 0.266 90 E C -0.974 175.650 176.600 0.040 0.000 1.015 90 E CA -0.069 56.356 56.400 0.042 0.000 0.906 90 E CB 0.621 30.358 29.700 0.061 0.000 0.979 90 E HN 0.439 nan 8.360 nan 0.000 0.443 91 I N 5.940 126.533 120.570 0.037 0.000 2.436 91 I HA 0.318 4.338 4.170 -0.251 0.000 0.289 91 I C -0.212 175.928 176.117 0.038 0.000 1.010 91 I CA -0.851 60.467 61.300 0.030 0.000 1.098 91 I CB 1.556 39.568 38.000 0.020 0.000 1.266 91 I HN 0.392 nan 8.210 nan 0.000 0.434 92 V N 2.487 122.423 119.914 0.037 0.000 3.156 92 V HA 0.993 4.963 4.120 -0.251 0.000 0.310 92 V C -0.204 175.901 176.094 0.019 0.000 1.234 92 V CA -0.523 61.798 62.300 0.036 0.000 1.065 92 V CB 1.509 33.363 31.823 0.052 0.000 1.088 92 V HN 0.721 nan 8.190 nan 0.000 0.451 93 G N -0.232 108.573 108.800 0.009 0.000 2.735 93 G HA2 0.488 4.298 3.960 -0.251 0.000 0.301 93 G HA3 0.488 4.298 3.960 -0.251 0.000 0.301 93 G C 0.241 175.114 174.900 -0.046 0.000 1.279 93 G CA 0.281 45.377 45.100 -0.006 0.000 1.019 93 G HN 1.018 nan 8.290 nan 0.000 0.497 94 D N -0.684 119.680 120.400 -0.061 0.000 2.178 94 D HA -0.164 4.325 4.640 -0.251 0.000 0.201 94 D C 2.037 178.276 176.300 -0.101 0.000 0.980 94 D CA 0.744 54.672 54.000 -0.122 0.000 0.842 94 D CB -0.008 40.735 40.800 -0.096 0.000 0.948 94 D HN 0.155 nan 8.370 nan 0.000 0.472 95 I N 1.127 121.663 120.570 -0.057 0.000 2.315 95 I HA -0.164 3.856 4.170 -0.251 0.000 0.248 95 I C 2.461 178.597 176.117 0.032 0.000 1.117 95 I CA 0.935 62.218 61.300 -0.029 0.000 1.404 95 I CB -1.195 36.781 38.000 -0.039 0.000 1.071 95 I HN 0.078 nan 8.210 nan 0.000 0.419 96 E N 1.601 121.803 120.200 0.005 0.000 2.047 96 E HA -0.157 4.043 4.350 -0.251 0.000 0.191 96 E C 2.302 178.901 176.600 -0.002 0.000 0.987 96 E CA 1.251 57.663 56.400 0.021 0.000 0.799 96 E CB -0.365 29.350 29.700 0.026 0.000 0.752 96 E HN 0.432 nan 8.360 nan 0.000 0.449 97 L N -0.252 120.907 121.223 -0.106 0.000 2.012 97 L HA -0.157 4.033 4.340 -0.251 0.000 0.210 97 L C 2.470 179.230 176.870 -0.183 0.000 1.073 97 L CA 1.642 56.321 54.840 -0.269 0.000 0.748 97 L CB -0.691 40.894 42.059 -0.791 0.000 0.891 97 L HN 0.196 nan 8.230 nan 0.000 0.431 98 F N 0.450 120.235 119.950 -0.275 0.000 2.095 98 F HA -0.296 4.083 4.527 -0.246 0.000 0.298 98 F C 2.630 178.353 175.800 -0.127 0.000 1.104 98 F CA 1.788 59.667 58.000 -0.202 0.000 1.232 98 F CB -0.444 38.424 39.000 -0.221 0.000 0.987 98 F HN 0.072 nan 8.300 nan 0.000 0.475 99 C N 0.756 120.116 119.300 0.101 0.000 2.413 99 C HA -0.176 4.134 4.460 -0.251 0.000 0.277 99 C C 2.656 177.617 174.990 -0.048 0.000 1.265 99 C CA 1.210 60.248 59.018 0.034 0.000 1.752 99 C CB -1.458 26.336 27.740 0.090 0.000 1.998 99 C HN 0.430 nan 8.230 nan 0.000 0.489 100 R N 0.419 120.910 120.500 -0.016 0.000 2.285 100 R HA -0.055 4.134 4.340 -0.251 0.000 0.213 100 R C 1.734 178.026 176.300 -0.014 0.000 1.068 100 R CA 0.787 56.896 56.100 0.015 0.000 1.004 100 R CB -0.044 30.313 30.300 0.094 0.000 0.873 100 R HN 0.602 nan 8.270 nan 0.000 0.467 101 E N -0.001 120.138 120.200 -0.102 0.000 2.332 101 E HA 0.161 4.361 4.350 -0.251 0.000 0.202 101 E C 0.324 176.800 176.600 -0.207 0.000 0.877 101 E CA 0.154 56.489 56.400 -0.108 0.000 0.979 101 E CB 0.049 29.716 29.700 -0.056 0.000 0.969 101 E HN 0.153 nan 8.360 nan 0.000 0.495 102 A N 2.398 124.958 122.820 -0.432 0.000 2.584 102 A HA -0.061 4.109 4.320 -0.251 0.000 0.239 102 A C 0.666 178.202 177.584 -0.080 0.000 1.043 102 A CA 0.554 52.345 52.037 -0.410 0.000 0.756 102 A CB 0.135 18.798 19.000 -0.563 0.000 0.963 102 A HN -0.033 nan 8.150 nan 0.000 0.511 103 Q N 0.159 119.987 119.800 0.047 0.000 2.206 103 Q HA 0.482 4.672 4.340 -0.251 0.000 0.265 103 Q C -0.235 175.821 176.000 0.092 0.000 0.866 103 Q CA 0.658 56.495 55.803 0.056 0.000 1.073 103 Q CB 0.502 29.260 28.738 0.034 0.000 1.165 103 Q HN 0.899 nan 8.270 nan 0.000 0.465 104 A N 0.640 123.561 122.820 0.169 0.000 2.587 104 A HA 0.771 4.941 4.320 -0.251 0.000 0.293 104 A C -2.742 174.954 177.584 0.187 0.000 1.087 104 A CA -1.419 50.696 52.037 0.129 0.000 0.692 104 A CB 1.097 20.099 19.000 0.004 0.000 1.291 104 A HN -0.043 nan 8.150 nan 0.000 0.407 105 P HA 0.414 nan 4.420 nan 0.000 0.269 105 P C -0.958 176.458 177.300 0.193 0.000 1.209 105 P CA 0.298 63.473 63.100 0.125 0.000 0.776 105 P CB 0.338 32.082 31.700 0.074 0.000 0.876 106 I N 1.630 122.308 120.570 0.181 0.000 2.436 106 I HA 0.246 4.265 4.170 -0.251 0.000 0.289 106 I C -0.496 175.695 176.117 0.124 0.000 1.010 106 I CA -1.035 60.389 61.300 0.206 0.000 1.098 106 I CB 2.005 40.135 38.000 0.218 0.000 1.266 106 I HN -0.055 nan 8.210 nan 0.000 0.434 107 V N 5.784 125.759 119.914 0.103 0.000 2.364 107 V HA 0.569 4.538 4.120 -0.251 0.000 0.272 107 V C 0.363 176.482 176.094 0.042 0.000 1.036 107 V CA -0.361 61.973 62.300 0.058 0.000 0.880 107 V CB 1.329 33.172 31.823 0.032 0.000 0.991 107 V HN 0.819 nan 8.190 nan 0.000 0.460 108 A N 7.173 130.013 122.820 0.035 0.000 2.303 108 A HA 0.889 5.058 4.320 -0.251 0.000 0.320 108 A C -0.738 176.844 177.584 -0.004 0.000 1.192 108 A CA -0.453 51.590 52.037 0.010 0.000 0.821 108 A CB 0.552 19.560 19.000 0.014 0.000 1.188 108 A HN 0.766 nan 8.150 nan 0.000 0.492 109 I N 1.632 122.187 120.570 -0.025 0.000 2.498 109 I HA 0.568 4.587 4.170 -0.251 0.000 0.290 109 I C 0.196 176.286 176.117 -0.046 0.000 1.032 109 I CA -0.216 61.065 61.300 -0.031 0.000 1.073 109 I CB 2.514 40.493 38.000 -0.035 0.000 1.251 109 I HN 0.647 nan 8.210 nan 0.000 0.426 110 T N 3.218 117.738 114.554 -0.057 0.000 2.778 110 T HA 0.938 5.137 4.350 -0.251 0.000 0.293 110 T C -0.829 173.839 174.700 -0.054 0.000 1.144 110 T CA -0.320 61.738 62.100 -0.069 0.000 1.010 110 T CB 2.048 70.848 68.868 -0.113 0.000 1.325 110 T HN 1.056 nan 8.240 nan 0.000 0.515 111 G N 0.378 109.146 108.800 -0.053 0.000 2.352 111 G HA2 0.278 4.088 3.960 -0.251 0.000 0.305 111 G HA3 0.278 4.088 3.960 -0.251 0.000 0.305 111 G C 0.438 175.346 174.900 0.013 0.000 1.537 111 G CA 0.249 45.331 45.100 -0.030 0.000 0.959 111 G HN 0.642 nan 8.290 nan 0.000 0.668 112 S N -0.410 115.311 115.700 0.035 0.000 2.423 112 S HA 0.039 4.358 4.470 -0.251 0.000 0.231 112 S C 0.900 175.526 174.600 0.044 0.000 1.014 112 S CA 1.283 59.541 58.200 0.097 0.000 0.965 112 S CB -0.135 63.142 63.200 0.129 0.000 0.785 112 S HN 0.713 nan 8.310 nan 0.000 0.495 113 N N -1.699 117.020 118.700 0.032 0.000 2.367 113 N HA 0.402 4.991 4.740 -0.251 0.000 0.278 113 N C -0.008 175.523 175.510 0.035 0.000 1.117 113 N CA 0.480 53.540 53.050 0.017 0.000 0.867 113 N CB 1.499 39.988 38.487 0.004 0.000 1.649 113 N HN 0.211 nan 8.380 nan 0.000 0.479 114 G N 2.551 111.369 108.800 0.030 0.000 2.175 114 G HA2 -0.325 3.485 3.960 -0.251 0.000 0.244 114 G HA3 -0.325 3.485 3.960 -0.251 0.000 0.244 114 G C 0.901 175.804 174.900 0.005 0.000 0.982 114 G CA 0.791 45.913 45.100 0.036 0.000 0.641 114 G HN 0.738 nan 8.290 nan 0.000 0.527 115 K N 0.454 120.854 120.400 -0.001 0.000 2.097 115 K HA 0.074 4.244 4.320 -0.251 0.000 0.206 115 K C 2.319 178.908 176.600 -0.018 0.000 1.049 115 K CA 1.828 58.106 56.287 -0.015 0.000 0.933 115 K CB -0.408 32.084 32.500 -0.013 0.000 0.717 115 K HN 0.268 nan 8.250 nan 0.000 0.442 116 S N 1.080 116.781 115.700 0.002 0.000 2.368 116 S HA -0.094 4.226 4.470 -0.251 0.000 0.224 116 S C 2.004 176.609 174.600 0.009 0.000 1.029 116 S CA 1.645 59.857 58.200 0.020 0.000 0.988 116 S CB -0.434 62.801 63.200 0.057 0.000 0.838 116 S HN 0.418 nan 8.310 nan 0.000 0.462 117 T N 2.432 117.001 114.554 0.024 0.000 2.652 117 T HA -0.076 4.123 4.350 -0.251 0.000 0.267 117 T C 1.988 176.606 174.700 -0.137 0.000 1.039 117 T CA 1.438 63.546 62.100 0.014 0.000 1.153 117 T CB -0.549 68.363 68.868 0.074 0.000 0.863 117 T HN 0.183 nan 8.240 nan 0.000 0.428 118 V N 1.551 121.400 119.914 -0.109 0.000 2.343 118 V HA -0.190 3.779 4.120 -0.251 0.000 0.247 118 V C 2.804 178.807 176.094 -0.152 0.000 1.051 118 V CA 2.049 64.259 62.300 -0.150 0.000 1.036 118 V CB -1.183 30.560 31.823 -0.133 0.000 0.654 118 V HN 0.544 nan 8.190 nan 0.000 0.451 119 T N -0.547 113.942 114.554 -0.108 0.000 2.788 119 T HA -0.186 4.014 4.350 -0.251 0.000 0.268 119 T C 1.928 176.556 174.700 -0.120 0.000 1.044 119 T CA 2.059 64.106 62.100 -0.089 0.000 1.139 119 T CB -0.336 68.502 68.868 -0.050 0.000 0.867 119 T HN 0.546 nan 8.240 nan 0.000 0.454 120 T N 2.034 116.488 114.554 -0.166 0.000 2.904 120 T HA 0.146 4.346 4.350 -0.251 0.000 0.267 120 T C 1.951 176.418 174.700 -0.389 0.000 1.059 120 T CA 0.599 62.562 62.100 -0.229 0.000 1.137 120 T CB -0.271 68.467 68.868 -0.216 0.000 0.879 120 T HN 0.244 nan 8.240 nan 0.000 0.467 121 L N 0.719 121.651 121.223 -0.484 0.000 2.056 121 L HA -0.056 4.134 4.340 -0.251 0.000 0.207 121 L C 2.598 179.325 176.870 -0.238 0.000 1.078 121 L CA 0.882 55.447 54.840 -0.457 0.000 0.749 121 L CB -0.533 41.296 42.059 -0.383 0.000 0.901 121 L HN 0.146 nan 8.230 nan 0.000 0.433 122 V N -0.011 119.797 119.914 -0.176 0.000 2.407 122 V HA -0.188 3.781 4.120 -0.251 0.000 0.248 122 V C 2.597 178.640 176.094 -0.084 0.000 1.055 122 V CA 1.830 64.065 62.300 -0.109 0.000 1.049 122 V CB -1.314 30.458 31.823 -0.084 0.000 0.662 122 V HN 0.571 nan 8.190 nan 0.000 0.455 123 G N -0.349 108.396 108.800 -0.092 0.000 2.418 123 G HA2 -0.209 3.600 3.960 -0.251 0.000 0.217 123 G HA3 -0.209 3.600 3.960 -0.251 0.000 0.217 123 G C 1.492 176.359 174.900 -0.056 0.000 1.158 123 G CA 0.589 45.654 45.100 -0.059 0.000 0.771 123 G HN 0.459 nan 8.290 nan 0.000 0.545 124 E N 0.254 120.400 120.200 -0.090 0.000 2.150 124 E HA -0.030 4.170 4.350 -0.251 0.000 0.193 124 E C 2.600 179.177 176.600 -0.039 0.000 0.985 124 E CA 0.654 57.019 56.400 -0.058 0.000 0.814 124 E CB -0.292 29.356 29.700 -0.086 0.000 0.752 124 E HN 0.499 nan 8.360 nan 0.000 0.466 125 M N -0.160 119.407 119.600 -0.055 0.000 2.229 125 M HA -0.063 4.267 4.480 -0.251 0.000 0.264 125 M C 2.265 178.552 176.300 -0.022 0.000 1.063 125 M CA 1.326 56.605 55.300 -0.034 0.000 1.114 125 M CB -0.128 32.447 32.600 -0.041 0.000 1.387 125 M HN 0.029 nan 8.290 nan 0.000 0.420 126 A N 0.634 123.438 122.820 -0.026 0.000 1.930 126 A HA -0.099 4.071 4.320 -0.251 0.000 0.215 126 A C 2.084 179.659 177.584 -0.015 0.000 1.176 126 A CA 1.255 53.280 52.037 -0.020 0.000 0.632 126 A CB -0.349 18.636 19.000 -0.025 0.000 0.819 126 A HN 0.383 nan 8.150 nan 0.000 0.445 127 K N 0.006 120.399 120.400 -0.013 0.000 2.103 127 K HA -0.088 4.081 4.320 -0.251 0.000 0.207 127 K C 2.120 178.720 176.600 -0.000 0.000 1.048 127 K CA 1.215 57.499 56.287 -0.005 0.000 0.930 127 K CB -0.307 32.194 32.500 0.002 0.000 0.716 127 K HN 0.425 nan 8.250 nan 0.000 0.444 128 A N 1.123 123.944 122.820 0.001 0.000 2.066 128 A HA 0.027 4.197 4.320 -0.251 0.000 0.218 128 A C 2.139 179.725 177.584 0.003 0.000 1.157 128 A CA 1.393 53.433 52.037 0.005 0.000 0.670 128 A CB -0.317 18.688 19.000 0.008 0.000 0.804 128 A HN 0.309 nan 8.150 nan 0.000 0.453 129 A N -1.666 121.153 122.820 -0.001 0.000 2.251 129 A HA 0.419 4.588 4.320 -0.251 0.000 0.209 129 A C 1.729 179.311 177.584 -0.003 0.000 1.187 129 A CA 1.101 53.137 52.037 -0.001 0.000 0.823 129 A CB -0.808 18.190 19.000 -0.003 0.000 0.846 129 A HN 1.784 nan 8.150 nan 0.000 0.486 130 G N -1.146 107.652 108.800 -0.004 0.000 2.147 130 G HA2 -0.190 3.619 3.960 -0.251 0.000 0.244 130 G HA3 -0.190 3.619 3.960 -0.251 0.000 0.244 130 G C 0.087 174.980 174.900 -0.011 0.000 1.005 130 G CA 0.175 45.272 45.100 -0.005 0.000 0.713 130 G HN 0.808 nan 8.290 nan 0.000 0.515 131 V N 1.155 121.060 119.914 -0.015 0.000 2.461 131 V HA 0.332 4.302 4.120 -0.251 0.000 0.275 131 V C 0.864 176.938 176.094 -0.033 0.000 1.047 131 V CA -1.000 61.285 62.300 -0.025 0.000 0.955 131 V CB 1.604 33.411 31.823 -0.027 0.000 0.988 131 V HN 0.435 nan 8.190 nan 0.000 0.471 132 N N 4.168 122.843 118.700 -0.043 0.000 2.427 132 N HA 0.081 4.670 4.740 -0.251 0.000 0.269 132 N C -0.857 174.602 175.510 -0.086 0.000 1.235 132 N CA 0.375 53.394 53.050 -0.052 0.000 0.934 132 N CB 1.263 39.718 38.487 -0.054 0.000 1.121 132 N HN 0.530 nan 8.380 nan 0.000 0.480 133 V N 2.852 122.724 119.914 -0.069 0.000 2.656 133 V HA 0.746 4.715 4.120 -0.251 0.000 0.307 133 V C 0.130 176.194 176.094 -0.052 0.000 1.051 133 V CA -0.655 61.595 62.300 -0.084 0.000 0.893 133 V CB 1.519 33.315 31.823 -0.045 0.000 0.999 133 V HN 0.656 nan 8.190 nan 0.000 0.426 134 G N 5.593 114.357 108.800 -0.061 0.000 2.347 134 G HA2 0.563 4.372 3.960 -0.251 0.000 0.314 134 G HA3 0.563 4.372 3.960 -0.251 0.000 0.314 134 G C -0.971 174.019 174.900 0.151 0.000 1.126 134 G CA -0.323 44.843 45.100 0.111 0.000 0.929 134 G HN 0.863 nan 8.290 nan 0.000 0.441 135 V N 2.446 122.411 119.914 0.085 0.000 2.384 135 V HA 0.934 4.903 4.120 -0.251 0.000 0.287 135 V C 0.754 176.867 176.094 0.031 0.000 1.020 135 V CA 0.546 62.874 62.300 0.047 0.000 0.850 135 V CB 0.701 32.536 31.823 0.021 0.000 0.987 135 V HN 1.168 nan 8.190 nan 0.000 0.436 136 G N 2.344 111.141 108.800 -0.005 0.000 2.485 136 G HA2 0.703 4.512 3.960 -0.251 0.000 0.182 136 G HA3 0.703 4.512 3.960 -0.251 0.000 0.182 136 G C 0.077 174.930 174.900 -0.080 0.000 1.172 136 G CA 0.414 45.496 45.100 -0.030 0.000 0.996 136 G HN 1.603 nan 8.290 nan 0.000 0.496 137 G N 0.265 108.997 108.800 -0.112 0.000 2.826 137 G HA2 -0.138 3.672 3.960 -0.251 0.000 0.233 137 G HA3 -0.138 3.672 3.960 -0.251 0.000 0.233 137 G C 0.923 175.786 174.900 -0.062 0.000 1.296 137 G CA 0.988 46.006 45.100 -0.136 0.000 1.001 137 G HN 1.629 nan 8.290 nan 0.000 0.576 138 N N 1.463 120.139 118.700 -0.039 0.000 2.585 138 N HA 0.104 4.694 4.740 -0.251 0.000 0.188 138 N C 1.002 176.537 175.510 0.041 0.000 1.102 138 N CA 1.604 54.656 53.050 0.005 0.000 0.920 138 N CB -0.391 38.098 38.487 0.004 0.000 0.963 138 N HN 0.970 nan 8.380 nan 0.000 0.447 139 I N -6.195 114.394 120.570 0.032 0.000 3.074 139 I HA 0.710 4.730 4.170 -0.251 0.000 0.310 139 I C 0.956 177.099 176.117 0.044 0.000 1.153 139 I CA -0.724 60.615 61.300 0.067 0.000 0.993 139 I CB 1.741 39.794 38.000 0.087 0.000 1.237 139 I HN 0.011 nan 8.210 nan 0.000 0.443 140 G N 2.611 111.447 108.800 0.060 0.000 2.566 140 G HA2 -0.232 3.577 3.960 -0.251 0.000 0.280 140 G HA3 -0.232 3.577 3.960 -0.251 0.000 0.280 140 G C -0.310 174.608 174.900 0.029 0.000 1.225 140 G CA 0.157 45.285 45.100 0.046 0.000 0.966 140 G HN 0.832 nan 8.290 nan 0.000 0.560 141 L N 2.313 123.550 121.223 0.024 0.000 2.416 141 L HA 0.322 4.512 4.340 -0.251 0.000 0.272 141 L C -1.752 175.111 176.870 -0.012 0.000 1.161 141 L CA -1.516 53.334 54.840 0.017 0.000 0.845 141 L CB 0.959 43.037 42.059 0.033 0.000 1.119 141 L HN 0.273 nan 8.230 nan 0.000 0.464 142 P HA -0.033 nan 4.420 nan 0.000 0.264 142 P C 0.293 177.545 177.300 -0.081 0.000 1.193 142 P CA 0.110 63.185 63.100 -0.042 0.000 0.763 142 P CB 0.963 32.655 31.700 -0.013 0.000 0.810 143 A N 4.624 127.323 122.820 -0.202 0.000 1.944 143 A HA -0.267 3.903 4.320 -0.251 0.000 0.222 143 A C 1.933 179.459 177.584 -0.098 0.000 1.237 143 A CA 2.047 53.822 52.037 -0.437 0.000 0.668 143 A CB -1.723 16.808 19.000 -0.783 0.000 0.830 143 A HN 0.605 nan 8.150 nan 0.000 0.471 144 L N -1.588 119.663 121.223 0.046 0.000 2.191 144 L HA -0.173 4.017 4.340 -0.251 0.000 0.212 144 L C 2.619 179.595 176.870 0.176 0.000 1.103 144 L CA 1.311 56.255 54.840 0.173 0.000 0.769 144 L CB -0.437 41.651 42.059 0.048 0.000 0.908 144 L HN 0.470 nan 8.230 nan 0.000 0.438 145 M N -0.981 118.686 119.600 0.112 0.000 2.562 145 M HA -0.071 4.259 4.480 -0.251 0.000 0.257 145 M C 1.778 178.167 176.300 0.149 0.000 1.099 145 M CA 1.036 56.403 55.300 0.112 0.000 1.099 145 M CB 0.066 32.709 32.600 0.073 0.000 1.427 145 M HN 0.265 nan 8.290 nan 0.000 0.489 146 L N -0.353 120.992 121.223 0.203 0.000 2.416 146 L HA 0.127 4.317 4.340 -0.251 0.000 0.216 146 L C 0.827 177.975 176.870 0.464 0.000 1.098 146 L CA -0.204 54.822 54.840 0.310 0.000 0.840 146 L CB -0.009 42.247 42.059 0.327 0.000 0.981 146 L HN 0.217 nan 8.230 nan 0.000 0.462 147 L N 2.483 123.948 121.223 0.402 0.000 2.780 147 L HA -0.100 4.090 4.340 -0.251 0.000 0.275 147 L C -0.365 176.647 176.870 0.237 0.000 1.153 147 L CA 0.788 55.800 54.840 0.287 0.000 0.993 147 L CB -0.257 41.879 42.059 0.128 0.000 1.319 147 L HN 0.164 nan 8.230 nan 0.000 0.479 148 D N 2.369 122.933 120.400 0.272 0.000 2.966 148 D HA 0.038 4.528 4.640 -0.251 0.000 0.222 148 D C 0.121 176.487 176.300 0.109 0.000 1.292 148 D CA -0.496 53.589 54.000 0.143 0.000 0.907 148 D CB 1.677 42.543 40.800 0.110 0.000 1.621 148 D HN 0.578 nan 8.370 nan 0.000 0.557 149 D N 1.793 122.231 120.400 0.063 0.000 2.371 149 D HA -0.087 4.403 4.640 -0.251 0.000 0.221 149 D C 0.864 177.171 176.300 0.013 0.000 0.986 149 D CA 0.866 54.890 54.000 0.040 0.000 0.899 149 D CB 0.207 41.022 40.800 0.024 0.000 0.902 149 D HN 0.410 nan 8.370 nan 0.000 0.530 150 E N -0.709 119.495 120.200 0.007 0.000 2.442 150 E HA 0.045 4.245 4.350 -0.251 0.000 0.195 150 E C 0.155 176.729 176.600 -0.043 0.000 1.030 150 E CA -0.275 56.118 56.400 -0.011 0.000 0.869 150 E CB 0.226 29.924 29.700 -0.003 0.000 0.857 150 E HN 0.297 nan 8.360 nan 0.000 0.505 151 C N 1.331 120.588 119.300 -0.072 0.000 2.653 151 C HA 0.028 4.338 4.460 -0.251 0.000 0.421 151 C C 1.299 176.160 174.990 -0.215 0.000 1.334 151 C CA 0.100 59.003 59.018 -0.192 0.000 1.885 151 C CB -0.035 27.483 27.740 -0.370 0.000 2.645 151 C HN 0.407 nan 8.230 nan 0.000 0.601 152 E N 2.024 122.102 120.200 -0.203 0.000 2.465 152 E HA 0.264 4.464 4.350 -0.251 0.000 0.209 152 E C -0.669 175.843 176.600 -0.146 0.000 0.951 152 E CA -0.004 56.317 56.400 -0.133 0.000 0.997 152 E CB 0.598 30.251 29.700 -0.077 0.000 1.025 152 E HN 0.525 nan 8.360 nan 0.000 0.500 153 L N 0.078 121.156 121.223 -0.242 0.000 2.549 153 L HA 0.370 4.560 4.340 -0.251 0.000 0.259 153 L C -2.113 174.611 176.870 -0.244 0.000 0.934 153 L CA -0.791 53.953 54.840 -0.161 0.000 0.865 153 L CB 1.280 43.300 42.059 -0.064 0.000 1.352 153 L HN -0.185 nan 8.230 nan 0.000 0.410 154 Y N 3.416 123.768 120.300 0.087 0.000 2.393 154 Y HA 0.747 5.149 4.550 -0.248 0.000 0.341 154 Y C -0.392 175.535 175.900 0.045 0.000 0.988 154 Y CA -0.819 57.342 58.100 0.101 0.000 1.078 154 Y CB 2.318 40.914 38.460 0.227 0.000 1.203 154 Y HN 0.302 nan 8.280 nan 0.000 0.453 155 V N 5.668 125.681 119.914 0.165 0.000 2.407 155 V HA 0.453 4.423 4.120 -0.251 0.000 0.291 155 V C -0.630 175.478 176.094 0.022 0.000 1.018 155 V CA -0.812 61.528 62.300 0.067 0.000 0.842 155 V CB 1.258 33.091 31.823 0.017 0.000 0.996 155 V HN 0.562 nan 8.190 nan 0.000 0.426 156 L N 3.913 125.127 121.223 -0.014 0.000 2.362 156 L HA 0.618 4.808 4.340 -0.251 0.000 0.275 156 L C 0.021 176.854 176.870 -0.061 0.000 0.998 156 L CA -0.498 54.295 54.840 -0.077 0.000 0.820 156 L CB 2.367 44.330 42.059 -0.159 0.000 1.270 156 L HN 0.634 nan 8.230 nan 0.000 0.415 157 E N 3.860 124.025 120.200 -0.059 0.000 2.283 157 E HA 0.543 4.742 4.350 -0.251 0.000 0.278 157 E C -1.543 175.024 176.600 -0.054 0.000 1.027 157 E CA -0.519 55.854 56.400 -0.044 0.000 0.843 157 E CB 1.143 30.829 29.700 -0.023 0.000 1.062 157 E HN 0.476 nan 8.360 nan 0.000 0.401 158 L N 3.712 124.904 121.223 -0.052 0.000 2.381 158 L HA 0.316 4.505 4.340 -0.251 0.000 0.274 158 L C 0.096 176.934 176.870 -0.053 0.000 0.988 158 L CA -0.876 53.932 54.840 -0.053 0.000 0.824 158 L CB 1.943 43.968 42.059 -0.057 0.000 1.263 158 L HN 0.602 nan 8.230 nan 0.000 0.410 159 S N 0.183 115.852 115.700 -0.051 0.000 2.645 159 S HA 0.188 4.508 4.470 -0.251 0.000 0.266 159 S C 1.249 175.797 174.600 -0.086 0.000 1.258 159 S CA -0.043 58.098 58.200 -0.099 0.000 0.990 159 S CB 1.582 64.682 63.200 -0.166 0.000 0.967 159 S HN 0.735 nan 8.310 nan 0.000 0.556 160 S N 0.799 116.417 115.700 -0.137 0.000 2.383 160 S HA -0.134 4.186 4.470 -0.251 0.000 0.229 160 S C 1.487 176.201 174.600 0.189 0.000 1.030 160 S CA 0.957 59.154 58.200 -0.006 0.000 1.002 160 S CB -0.999 62.255 63.200 0.090 0.000 0.829 160 S HN 0.644 nan 8.310 nan 0.000 0.467 161 F N 2.312 122.302 119.950 0.068 0.000 2.102 161 F HA 0.036 4.412 4.527 -0.252 0.000 0.298 161 F C 2.910 178.721 175.800 0.019 0.000 1.105 161 F CA 0.705 58.726 58.000 0.035 0.000 1.239 161 F CB -1.455 37.517 39.000 -0.045 0.000 0.991 161 F HN 0.288 nan 8.300 nan 0.000 0.474 162 Q N 0.061 119.973 119.800 0.187 0.000 2.050 162 Q HA -0.173 4.016 4.340 -0.251 0.000 0.202 162 Q C 2.386 178.426 176.000 0.066 0.000 0.980 162 Q CA 1.420 57.276 55.803 0.090 0.000 0.840 162 Q CB -0.478 28.280 28.738 0.033 0.000 0.898 162 Q HN 0.397 nan 8.270 nan 0.000 0.424 163 L N 0.722 121.977 121.223 0.053 0.000 2.079 163 L HA -0.224 3.965 4.340 -0.251 0.000 0.210 163 L C 2.174 179.078 176.870 0.057 0.000 1.081 163 L CA 1.166 56.024 54.840 0.030 0.000 0.752 163 L CB -0.403 41.651 42.059 -0.009 0.000 0.896 163 L HN 0.275 nan 8.230 nan 0.000 0.433 164 E N -0.523 119.741 120.200 0.107 0.000 2.209 164 E HA -0.214 3.986 4.350 -0.251 0.000 0.196 164 E C 1.649 178.295 176.600 0.077 0.000 0.993 164 E CA 1.758 58.227 56.400 0.115 0.000 0.819 164 E CB -0.029 29.780 29.700 0.182 0.000 0.745 164 E HN 0.586 nan 8.360 nan 0.000 0.477 165 T N -2.329 112.264 114.554 0.065 0.000 3.134 165 T HA 0.121 4.321 4.350 -0.251 0.000 0.260 165 T C 0.369 175.092 174.700 0.039 0.000 1.027 165 T CA -0.417 61.711 62.100 0.047 0.000 0.913 165 T CB 0.528 69.419 68.868 0.038 0.000 1.046 165 T HN -0.206 nan 8.240 nan 0.000 0.553 166 T N 1.764 116.341 114.554 0.038 0.000 2.859 166 T HA 0.563 4.763 4.350 -0.251 0.000 0.281 166 T C 0.745 175.466 174.700 0.034 0.000 1.005 166 T CA -0.511 61.609 62.100 0.034 0.000 1.025 166 T CB 1.779 70.663 68.868 0.027 0.000 0.977 166 T HN 0.321 nan 8.240 nan 0.000 0.458 167 S N -0.068 115.655 115.700 0.038 0.000 2.617 167 S HA 0.098 4.418 4.470 -0.251 0.000 0.278 167 S C 1.251 175.874 174.600 0.038 0.000 1.082 167 S CA -0.476 57.746 58.200 0.037 0.000 1.228 167 S CB 0.242 63.464 63.200 0.037 0.000 1.130 167 S HN 0.417 nan 8.310 nan 0.000 0.621 168 S N 1.848 117.574 115.700 0.043 0.000 2.597 168 S HA 0.376 4.696 4.470 -0.251 0.000 0.224 168 S C 0.064 174.692 174.600 0.047 0.000 0.955 168 S CA -0.424 57.801 58.200 0.043 0.000 0.933 168 S CB -0.130 63.096 63.200 0.044 0.000 0.788 168 S HN 0.547 nan 8.310 nan 0.000 0.488 169 L N 2.873 124.126 121.223 0.050 0.000 2.360 169 L HA 0.266 4.456 4.340 -0.251 0.000 0.276 169 L C -0.155 176.749 176.870 0.057 0.000 1.121 169 L CA 0.617 55.492 54.840 0.059 0.000 0.845 169 L CB 0.448 42.541 42.059 0.055 0.000 1.143 169 L HN 0.055 nan 8.230 nan 0.000 0.452 170 Q N 5.859 125.696 119.800 0.061 0.000 2.965 170 Q HA 0.470 4.660 4.340 -0.251 0.000 0.288 170 Q C -0.253 175.788 176.000 0.069 0.000 0.974 170 Q CA -0.590 55.249 55.803 0.059 0.000 0.849 170 Q CB 1.180 29.947 28.738 0.049 0.000 1.280 170 Q HN 0.883 nan 8.270 nan 0.000 0.441 171 A N 0.762 123.627 122.820 0.075 0.000 2.498 171 A HA 0.054 4.223 4.320 -0.251 0.000 0.239 171 A C 1.196 178.824 177.584 0.073 0.000 1.068 171 A CA -0.092 51.993 52.037 0.080 0.000 0.766 171 A CB 0.636 19.684 19.000 0.080 0.000 1.003 171 A HN 0.535 nan 8.150 nan 0.000 0.497 172 V N 1.857 121.814 119.914 0.071 0.000 2.548 172 V HA 0.295 4.264 4.120 -0.251 0.000 0.249 172 V C 1.016 177.142 176.094 0.053 0.000 1.055 172 V CA 2.243 64.578 62.300 0.058 0.000 1.065 172 V CB -0.473 31.384 31.823 0.055 0.000 0.681 172 V HN 1.437 nan 8.190 nan 0.000 0.462 173 A N -0.850 122.005 122.820 0.058 0.000 2.459 173 A HA 0.889 5.059 4.320 -0.251 0.000 0.296 173 A C -0.677 176.951 177.584 0.073 0.000 1.039 173 A CA 0.085 52.156 52.037 0.056 0.000 0.698 173 A CB 1.642 20.662 19.000 0.032 0.000 1.261 173 A HN 1.084 nan 8.150 nan 0.000 0.405 174 A N 0.838 123.726 122.820 0.113 0.000 2.539 174 A HA 0.986 5.156 4.320 -0.251 0.000 0.296 174 A C -0.428 177.305 177.584 0.247 0.000 1.073 174 A CA -0.155 51.972 52.037 0.150 0.000 0.700 174 A CB 1.836 20.949 19.000 0.189 0.000 1.296 174 A HN 1.800 nan 8.150 nan 0.000 0.405 175 T N 0.487 115.148 114.554 0.179 0.000 2.889 175 T HA 0.619 4.818 4.350 -0.251 0.000 0.315 175 T C -1.744 172.984 174.700 0.047 0.000 1.291 175 T CA -0.327 61.916 62.100 0.238 0.000 1.028 175 T CB 0.727 69.704 68.868 0.182 0.000 1.235 175 T HN 0.567 nan 8.240 nan 0.000 0.491 176 I N 5.258 125.883 120.570 0.091 0.000 2.411 176 I HA 0.304 4.324 4.170 -0.251 0.000 0.284 176 I C 1.061 177.249 176.117 0.119 0.000 1.012 176 I CA -0.657 60.630 61.300 -0.023 0.000 1.119 176 I CB 1.750 39.673 38.000 -0.130 0.000 1.261 176 I HN 0.608 nan 8.210 nan 0.000 0.448 177 L N 5.406 126.704 121.223 0.125 0.000 2.156 177 L HA -0.051 4.138 4.340 -0.251 0.000 0.208 177 L C 0.102 177.090 176.870 0.197 0.000 1.095 177 L CA 0.998 55.989 54.840 0.253 0.000 0.770 177 L CB -0.424 41.728 42.059 0.155 0.000 0.914 177 L HN 0.823 nan 8.230 nan 0.000 0.439 178 N N -3.556 115.192 118.700 0.080 0.000 3.521 178 N HA 0.315 4.905 4.740 -0.251 0.000 0.228 178 N C -1.389 174.115 175.510 -0.011 0.000 1.328 178 N CA -0.767 52.308 53.050 0.042 0.000 0.907 178 N CB 1.476 40.004 38.487 0.069 0.000 1.487 178 N HN -0.312 nan 8.380 nan 0.000 0.503 179 V N 0.243 120.145 119.914 -0.020 0.000 2.419 179 V HA 0.759 4.729 4.120 -0.251 0.000 0.287 179 V C -0.519 175.600 176.094 0.042 0.000 1.017 179 V CA -0.176 62.094 62.300 -0.050 0.000 0.844 179 V CB 0.829 32.566 31.823 -0.143 0.000 1.011 179 V HN 1.019 nan 8.190 nan 0.000 0.429 180 T N 0.319 114.947 114.554 0.123 0.000 2.907 180 T HA 0.592 4.792 4.350 -0.251 0.000 0.292 180 T C -0.318 174.500 174.700 0.198 0.000 1.043 180 T CA -0.737 61.438 62.100 0.125 0.000 1.003 180 T CB 1.992 70.901 68.868 0.067 0.000 1.084 180 T HN 0.647 nan 8.240 nan 0.000 0.483 181 E N 1.111 121.372 120.200 0.102 0.000 2.820 181 E HA 0.112 4.311 4.350 -0.251 0.000 0.251 181 E C -0.738 175.791 176.600 -0.119 0.000 0.944 181 E CA 0.629 57.036 56.400 0.012 0.000 0.955 181 E CB 0.175 29.855 29.700 -0.034 0.000 0.904 181 E HN 0.678 nan 8.360 nan 0.000 0.513 182 D N 1.765 121.945 120.400 -0.367 0.000 2.683 182 D HA 0.147 4.637 4.640 -0.251 0.000 0.246 182 D C -0.901 175.026 176.300 -0.622 0.000 1.238 182 D CA -0.257 53.431 54.000 -0.521 0.000 0.759 182 D CB 0.573 41.061 40.800 -0.519 0.000 1.349 182 D HN 0.634 nan 8.370 nan 0.000 0.426 183 H N 1.669 120.604 119.070 -0.226 0.000 2.921 183 H HA -0.160 4.247 4.556 -0.249 0.000 0.281 183 H C 1.346 176.677 175.328 0.004 0.000 1.165 183 H CA 0.930 56.943 56.048 -0.059 0.000 1.151 183 H CB -1.009 28.740 29.762 -0.022 0.000 1.311 183 H HN 0.415 nan 8.280 nan 0.000 0.361 184 M N 0.882 120.484 119.600 0.003 0.000 2.346 184 M HA -0.101 4.229 4.480 -0.251 0.000 0.263 184 M C 1.983 178.305 176.300 0.036 0.000 1.064 184 M CA 1.753 57.078 55.300 0.041 0.000 1.083 184 M CB -0.590 31.989 32.600 -0.035 0.000 1.399 184 M HN 0.399 nan 8.290 nan 0.000 0.435 185 D N -0.714 119.697 120.400 0.019 0.000 2.263 185 D HA -0.188 4.302 4.640 -0.251 0.000 0.208 185 D C 1.727 177.994 176.300 -0.055 0.000 0.971 185 D CA 0.931 54.925 54.000 -0.009 0.000 0.867 185 D CB -0.408 40.398 40.800 0.009 0.000 0.929 185 D HN 0.258 nan 8.370 nan 0.000 0.492 186 R N -0.889 119.557 120.500 -0.091 0.000 2.334 186 R HA 0.091 4.281 4.340 -0.251 0.000 0.212 186 R C -0.244 175.753 176.300 -0.504 0.000 0.897 186 R CA -0.021 55.877 56.100 -0.338 0.000 1.056 186 R CB 0.290 30.300 30.300 -0.483 0.000 1.046 186 R HN 0.245 nan 8.270 nan 0.000 0.513 187 Y N 0.988 121.363 120.300 0.125 0.000 2.749 187 Y HA 0.304 4.703 4.550 -0.252 0.000 0.343 187 Y C -1.599 174.358 175.900 0.094 0.000 1.015 187 Y CA -2.739 55.455 58.100 0.156 0.000 1.270 187 Y CB 1.463 40.044 38.460 0.202 0.000 1.097 187 Y HN -0.072 nan 8.280 nan 0.000 0.571 188 P HA -0.088 nan 4.420 nan 0.000 0.230 188 P C 0.379 177.534 177.300 -0.242 0.000 1.158 188 P CA 1.110 64.171 63.100 -0.064 0.000 0.769 188 P CB 0.111 31.728 31.700 -0.138 0.000 0.807 189 F N 0.322 120.347 119.950 0.124 0.000 2.730 189 F HA 0.427 4.804 4.527 -0.250 0.000 0.295 189 F C 1.757 177.615 175.800 0.096 0.000 1.143 189 F CA 0.440 58.498 58.000 0.097 0.000 1.367 189 F CB -0.343 38.713 39.000 0.093 0.000 0.970 189 F HN 0.029 nan 8.300 nan 0.000 0.514 190 G N 0.381 109.289 108.800 0.179 0.000 2.645 190 G HA2 -0.338 3.471 3.960 -0.251 0.000 0.239 190 G HA3 -0.338 3.471 3.960 -0.251 0.000 0.239 190 G C 0.549 175.548 174.900 0.164 0.000 1.331 190 G CA -0.111 45.071 45.100 0.137 0.000 0.890 190 G HN 0.264 nan 8.290 nan 0.000 0.572 191 L N -0.151 121.149 121.223 0.128 0.000 2.046 191 L HA -0.015 4.175 4.340 -0.251 0.000 0.208 191 L C 2.974 179.911 176.870 0.113 0.000 1.077 191 L CA 3.060 57.994 54.840 0.156 0.000 0.747 191 L CB -0.493 41.634 42.059 0.113 0.000 0.896 191 L HN 0.623 nan 8.230 nan 0.000 0.432 192 Q N -0.631 119.217 119.800 0.080 0.000 2.226 192 Q HA -0.257 3.932 4.340 -0.251 0.000 0.204 192 Q C 2.091 178.103 176.000 0.020 0.000 0.975 192 Q CA 1.728 57.555 55.803 0.039 0.000 0.866 192 Q CB -0.308 28.459 28.738 0.048 0.000 0.915 192 Q HN 0.734 nan 8.270 nan 0.000 0.440 193 Q N -0.559 119.284 119.800 0.072 0.000 2.062 193 Q HA -0.169 4.020 4.340 -0.251 0.000 0.196 193 Q C 1.958 177.866 176.000 -0.154 0.000 0.967 193 Q CA 0.809 56.644 55.803 0.054 0.000 0.832 193 Q CB -0.184 28.704 28.738 0.251 0.000 0.899 193 Q HN 0.327 nan 8.270 nan 0.000 0.442 194 Y N 1.652 121.674 120.300 -0.463 0.000 2.114 194 Y HA -0.280 4.119 4.550 -0.251 0.000 0.282 194 Y C 2.339 177.974 175.900 -0.441 0.000 1.165 194 Y CA 2.270 59.843 58.100 -0.878 0.000 1.148 194 Y CB -0.461 37.705 38.460 -0.490 0.000 0.972 194 Y HN 0.074 nan 8.280 nan 0.000 0.504 195 R N 0.340 120.622 120.500 -0.363 0.000 2.081 195 R HA -0.169 4.021 4.340 -0.251 0.000 0.235 195 R C 2.381 178.528 176.300 -0.255 0.000 1.131 195 R CA 1.418 57.300 56.100 -0.363 0.000 0.960 195 R CB -0.652 29.535 30.300 -0.188 0.000 0.856 195 R HN 0.453 nan 8.270 nan 0.000 0.436 196 A N 1.283 124.004 122.820 -0.165 0.000 1.917 196 A HA -0.059 4.111 4.320 -0.251 0.000 0.219 196 A C 1.428 178.948 177.584 -0.106 0.000 1.182 196 A CA 1.478 53.454 52.037 -0.101 0.000 0.633 196 A CB -0.820 18.147 19.000 -0.055 0.000 0.819 196 A HN 0.596 nan 8.150 nan 0.000 0.448 200 R N 0.779 121.220 120.500 -0.099 0.000 2.185 200 R HA -0.124 4.065 4.340 -0.251 0.000 0.247 200 R C 1.987 178.252 176.300 -0.058 0.000 1.159 200 R CA 1.816 57.888 56.100 -0.047 0.000 0.988 200 R CB -0.263 30.021 30.300 -0.027 0.000 0.871 200 R HN 0.384 nan 8.270 nan 0.000 0.458 201 I N 0.016 120.490 120.570 -0.161 0.000 2.614 201 I HA -0.248 3.771 4.170 -0.251 0.000 0.258 201 I C 1.058 177.150 176.117 -0.041 0.000 1.189 201 I CA 1.078 62.290 61.300 -0.148 0.000 1.462 201 I CB 0.125 37.970 38.000 -0.259 0.000 1.092 201 I HN 0.136 nan 8.210 nan 0.000 0.442 202 Y N 1.036 121.333 120.300 -0.004 0.000 2.475 202 Y HA 0.089 4.488 4.550 -0.251 0.000 0.289 202 Y C 0.895 176.798 175.900 0.005 0.000 1.121 202 Y CA -0.314 57.787 58.100 0.000 0.000 1.257 202 Y CB -0.612 37.844 38.460 -0.006 0.000 1.026 202 Y HN 0.119 nan 8.280 nan 0.000 0.555 203 E N 1.984 122.275 120.200 0.151 0.000 2.498 203 E HA -0.093 4.107 4.350 -0.251 0.000 0.252 203 E C 0.278 176.923 176.600 0.075 0.000 1.025 203 E CA 0.382 56.837 56.400 0.091 0.000 0.938 203 E CB -0.138 29.598 29.700 0.059 0.000 0.947 203 E HN 0.270 nan 8.360 nan 0.000 0.478 204 N N 0.291 119.029 118.700 0.063 0.000 2.878 204 N HA -0.203 4.387 4.740 -0.251 0.000 0.247 204 N C -0.651 174.894 175.510 0.059 0.000 1.021 204 N CA 0.999 54.080 53.050 0.052 0.000 0.873 204 N CB -1.189 37.326 38.487 0.047 0.000 1.128 204 N HN 0.508 nan 8.380 nan 0.000 0.571 205 A N 0.992 123.859 122.820 0.079 0.000 2.401 205 A HA 0.211 4.381 4.320 -0.251 0.000 0.259 205 A C 1.409 179.025 177.584 0.054 0.000 1.103 205 A CA 0.182 52.268 52.037 0.083 0.000 0.789 205 A CB 0.674 19.755 19.000 0.135 0.000 1.035 205 A HN 0.265 nan 8.150 nan 0.000 0.491 206 K N 1.485 121.914 120.400 0.049 0.000 2.097 206 K HA 0.007 4.176 4.320 -0.251 0.000 0.206 206 K C -0.186 176.429 176.600 0.025 0.000 1.049 206 K CA 1.411 57.718 56.287 0.035 0.000 0.933 206 K CB -0.027 32.495 32.500 0.036 0.000 0.717 206 K HN 0.512 nan 8.250 nan 0.000 0.442 207 V N 1.331 121.263 119.914 0.030 0.000 2.686 207 V HA 0.182 4.151 4.120 -0.251 0.000 0.306 207 V C -0.622 175.481 176.094 0.015 0.000 1.065 207 V CA -1.206 61.103 62.300 0.015 0.000 0.894 207 V CB 1.414 33.252 31.823 0.026 0.000 1.004 207 V HN 0.378 nan 8.190 nan 0.000 0.424 208 c N 3.403 121.972 118.600 -0.053 0.000 2.329 208 c HA 0.890 5.310 4.570 -0.251 0.000 0.329 208 c C -0.154 173.886 174.090 -0.083 0.000 1.275 208 c CA -0.878 55.367 56.329 -0.138 0.000 1.726 208 c CB 0.334 42.519 42.510 -0.542 0.000 2.291 208 c HN 0.567 nan 8.230 nan 0.000 0.514 209 V N 5.086 125.031 119.914 0.052 0.000 2.357 209 V HA 0.597 4.567 4.120 -0.251 0.000 0.284 209 V C 0.460 176.657 176.094 0.172 0.000 1.018 209 V CA -0.142 62.225 62.300 0.111 0.000 0.841 209 V CB 0.925 32.832 31.823 0.140 0.000 0.991 209 V HN 1.002 nan 8.190 nan 0.000 0.437 210 V N 1.974 121.915 119.914 0.044 0.000 3.096 210 V HA 0.708 4.678 4.120 -0.251 0.000 0.319 210 V C -0.226 175.646 176.094 -0.371 0.000 1.103 210 V CA -0.911 61.364 62.300 -0.041 0.000 1.016 210 V CB 2.184 33.948 31.823 -0.098 0.000 1.090 210 V HN 0.686 nan 8.190 nan 0.000 0.449 211 N N 1.296 119.716 118.700 -0.466 0.000 2.457 211 N HA 0.510 5.099 4.740 -0.251 0.000 0.250 211 N C 0.661 175.917 175.510 -0.423 0.000 0.982 211 N CA 0.111 52.640 53.050 -0.869 0.000 0.941 211 N CB 1.572 39.758 38.487 -0.502 0.000 1.120 211 N HN 1.007 nan 8.380 nan 0.000 0.505 212 A N 2.927 125.515 122.820 -0.387 0.000 2.172 212 A HA -0.061 4.109 4.320 -0.251 0.000 0.216 212 A C 0.944 178.458 177.584 -0.116 0.000 1.154 212 A CA 1.007 52.937 52.037 -0.179 0.000 0.701 212 A CB 0.049 18.980 19.000 -0.115 0.000 0.789 212 A HN 0.673 nan 8.150 nan 0.000 0.465 213 D N -0.512 119.814 120.400 -0.123 0.000 2.349 213 D HA 0.072 4.562 4.640 -0.251 0.000 0.214 213 D C -0.477 175.799 176.300 -0.040 0.000 1.063 213 D CA 0.341 54.312 54.000 -0.049 0.000 0.847 213 D CB 0.437 41.235 40.800 -0.003 0.000 0.933 213 D HN 0.335 nan 8.370 nan 0.000 0.513 214 D N 0.033 120.392 120.400 -0.069 0.000 2.336 214 D HA 0.275 4.764 4.640 -0.251 0.000 0.248 214 D C 0.854 177.127 176.300 -0.044 0.000 1.326 214 D CA -0.550 53.425 54.000 -0.041 0.000 0.973 214 D CB 1.216 41.999 40.800 -0.027 0.000 1.255 214 D HN -0.116 nan 8.370 nan 0.000 0.558 215 A N 3.849 126.650 122.820 -0.031 0.000 2.024 215 A HA -0.122 4.048 4.320 -0.251 0.000 0.220 215 A C 2.100 179.673 177.584 -0.017 0.000 1.164 215 A CA 0.922 52.944 52.037 -0.026 0.000 0.643 215 A CB -0.316 18.673 19.000 -0.019 0.000 0.806 215 A HN 0.692 nan 8.150 nan 0.000 0.451 216 L N -0.124 121.088 121.223 -0.017 0.000 2.275 216 L HA -0.106 4.083 4.340 -0.251 0.000 0.215 216 L C 2.687 179.548 176.870 -0.015 0.000 1.119 216 L CA 1.590 56.417 54.840 -0.022 0.000 0.790 216 L CB -0.745 41.294 42.059 -0.034 0.000 0.919 216 L HN 0.663 nan 8.230 nan 0.000 0.443 217 T N -3.495 111.060 114.554 0.000 0.000 3.118 217 T HA 0.066 4.266 4.350 -0.251 0.000 0.260 217 T C 0.760 175.556 174.700 0.159 0.000 1.139 217 T CA 0.074 62.207 62.100 0.055 0.000 1.085 217 T CB -0.103 68.788 68.868 0.039 0.000 0.934 217 T HN 0.053 nan 8.240 nan 0.000 0.518 218 M N 2.143 121.787 119.600 0.074 0.000 2.277 218 M HA 0.431 4.761 4.480 -0.251 0.000 0.350 218 M C -2.153 174.193 176.300 0.077 0.000 1.180 218 M CA -2.351 52.975 55.300 0.045 0.000 1.103 218 M CB 1.025 33.612 32.600 -0.021 0.000 1.577 218 M HN -0.080 nan 8.290 nan 0.000 0.459 227 c N 0.644 119.193 118.600 -0.084 0.000 2.391 227 c HA 0.619 5.039 4.570 -0.251 0.000 0.339 227 c C 0.619 174.688 174.090 -0.034 0.000 1.205 227 c CA -0.719 55.550 56.329 -0.101 0.000 1.937 227 c CB 1.742 44.131 42.510 -0.201 0.000 2.341 227 c HN 0.440 nan 8.230 nan 0.000 0.516 228 V N 3.367 123.284 119.914 0.005 0.000 2.686 228 V HA 0.435 4.404 4.120 -0.251 0.000 0.295 228 V C 0.544 176.688 176.094 0.084 0.000 1.055 228 V CA 0.378 62.725 62.300 0.079 0.000 1.050 228 V CB 1.410 33.305 31.823 0.120 0.000 0.984 228 V HN 1.072 nan 8.190 nan 0.000 0.482 229 S N 4.970 120.749 115.700 0.131 0.000 2.600 229 S HA 0.894 5.214 4.470 -0.251 0.000 0.300 229 S C -0.900 173.847 174.600 0.245 0.000 1.087 229 S CA -0.720 57.530 58.200 0.084 0.000 0.965 229 S CB 2.008 65.199 63.200 -0.015 0.000 1.089 229 S HN 0.705 nan 8.310 nan 0.000 0.496 230 F N -1.016 119.006 119.950 0.120 0.000 2.588 230 F HA 1.003 5.379 4.527 -0.251 0.000 0.314 230 F C -0.009 175.875 175.800 0.140 0.000 1.069 230 F CA -0.433 57.668 58.000 0.168 0.000 0.931 230 F CB 1.450 40.506 39.000 0.093 0.000 1.260 230 F HN 1.024 nan 8.300 nan 0.000 0.465 231 G N 0.911 109.908 108.800 0.330 0.000 2.495 231 G HA2 0.417 4.226 3.960 -0.251 0.000 0.294 231 G HA3 0.417 4.226 3.960 -0.251 0.000 0.294 231 G C -0.853 174.217 174.900 0.282 0.000 1.397 231 G CA -0.296 44.925 45.100 0.203 0.000 0.790 231 G HN 0.711 nan 8.290 nan 0.000 0.486 232 V N 0.540 120.587 119.914 0.222 0.000 2.256 232 V HA -0.012 3.958 4.120 -0.251 0.000 0.240 232 V C 1.891 178.137 176.094 0.252 0.000 1.036 232 V CA 1.731 64.178 62.300 0.244 0.000 1.008 232 V CB -0.280 31.668 31.823 0.207 0.000 0.648 232 V HN 0.663 nan 8.190 nan 0.000 0.453 233 N N 0.094 118.901 118.700 0.177 0.000 2.205 233 N HA 0.260 4.849 4.740 -0.251 0.000 0.201 233 N C 0.144 175.678 175.510 0.039 0.000 1.128 233 N CA 0.241 53.376 53.050 0.142 0.000 0.867 233 N CB 0.946 39.491 38.487 0.097 0.000 0.996 233 N HN 0.583 nan 8.380 nan 0.000 0.503 234 M N -2.531 117.086 119.600 0.028 0.000 2.644 234 M HA 0.675 5.005 4.480 -0.251 0.000 0.273 234 M C -0.651 175.640 176.300 -0.014 0.000 1.253 234 M CA -0.732 54.517 55.300 -0.085 0.000 0.852 234 M CB 2.545 35.111 32.600 -0.057 0.000 1.708 234 M HN -0.088 nan 8.290 nan 0.000 0.471 235 G N 0.746 109.514 108.800 -0.052 0.000 2.576 235 G HA2 -0.049 3.760 3.960 -0.251 0.000 0.686 235 G HA3 -0.049 3.760 3.960 -0.251 0.000 0.686 235 G C -0.647 174.354 174.900 0.169 0.000 1.242 235 G CA -0.227 44.915 45.100 0.069 0.000 0.819 235 G HN 0.892 nan 8.290 nan 0.000 0.655 236 D N -0.554 119.971 120.400 0.208 0.000 2.158 236 D HA -0.090 4.399 4.640 -0.251 0.000 0.197 236 D C 0.431 176.868 176.300 0.228 0.000 0.995 236 D CA 1.833 55.962 54.000 0.214 0.000 0.846 236 D CB 0.039 40.996 40.800 0.263 0.000 0.941 236 D HN 0.357 nan 8.370 nan 0.000 0.456 237 Y N 0.691 121.145 120.300 0.257 0.000 2.334 237 Y HA 0.251 4.651 4.550 -0.250 0.000 0.336 237 Y C 0.675 176.753 175.900 0.296 0.000 0.960 237 Y CA -0.769 57.465 58.100 0.224 0.000 1.164 237 Y CB 0.907 39.483 38.460 0.193 0.000 1.155 237 Y HN 0.009 nan 8.280 nan 0.000 0.478 238 H N 1.738 120.922 119.070 0.189 0.000 2.960 238 H HA 0.618 5.023 4.556 -0.251 0.000 0.338 238 H C -1.514 173.887 175.328 0.122 0.000 1.261 238 H CA -1.236 54.911 56.048 0.166 0.000 1.136 238 H CB 1.017 30.849 29.762 0.117 0.000 1.875 238 H HN 0.528 nan 8.280 nan 0.000 0.550 239 L N 0.512 121.843 121.223 0.181 0.000 2.416 239 L HA 0.405 4.595 4.340 -0.251 0.000 0.262 239 L C 0.325 177.220 176.870 0.041 0.000 1.093 239 L CA -0.611 54.256 54.840 0.045 0.000 0.801 239 L CB 1.049 43.155 42.059 0.078 0.000 1.191 239 L HN 0.660 nan 8.230 nan 0.000 0.459 240 N N -0.795 117.838 118.700 -0.110 0.000 2.336 240 N HA 0.414 5.004 4.740 -0.251 0.000 0.290 240 N C -1.441 173.950 175.510 -0.199 0.000 1.058 240 N CA -0.629 52.404 53.050 -0.029 0.000 0.865 240 N CB 1.625 40.115 38.487 0.005 0.000 1.581 240 N HN 0.573 nan 8.380 nan 0.000 0.480 246 T N 2.754 117.196 114.554 -0.186 0.000 2.841 246 T HA 0.564 4.763 4.350 -0.251 0.000 0.283 246 T C -1.415 173.031 174.700 -0.422 0.000 1.000 246 T CA -0.411 61.491 62.100 -0.329 0.000 0.977 246 T CB 0.559 69.159 68.868 -0.448 0.000 0.979 246 T HN 0.274 nan 8.240 nan 0.000 0.446 247 W N 2.301 123.396 121.300 -0.342 0.000 2.736 247 W HA 0.627 5.137 4.660 -0.251 0.000 0.335 247 W C -0.808 175.558 176.519 -0.255 0.000 1.059 247 W CA -0.929 56.261 57.345 -0.258 0.000 1.226 247 W CB 1.084 30.432 29.460 -0.186 0.000 1.416 247 W HN 0.353 nan 8.180 nan 0.000 0.505 248 L N 4.066 125.313 121.223 0.040 0.000 2.281 248 L HA 0.514 4.704 4.340 -0.251 0.000 0.285 248 L C 0.345 177.209 176.870 -0.011 0.000 1.074 248 L CA -0.487 54.350 54.840 -0.003 0.000 0.817 248 L CB 0.405 42.465 42.059 0.003 0.000 1.168 248 L HN 0.374 nan 8.230 nan 0.000 0.434 249 R N 2.368 122.763 120.500 -0.175 0.000 2.711 249 R HA 0.705 4.895 4.340 -0.251 0.000 0.284 249 R C -1.211 174.858 176.300 -0.386 0.000 0.968 249 R CA -0.799 55.109 56.100 -0.320 0.000 0.924 249 R CB 2.698 32.668 30.300 -0.550 0.000 1.162 249 R HN 0.297 nan 8.270 nan 0.000 0.465 250 V N 3.642 123.367 119.914 -0.315 0.000 2.376 250 V HA 0.195 4.165 4.120 -0.251 0.000 0.287 250 V C -0.103 175.858 176.094 -0.222 0.000 1.015 250 V CA -0.859 61.197 62.300 -0.407 0.000 0.834 250 V CB 1.270 32.806 31.823 -0.478 0.000 1.001 250 V HN 0.790 nan 8.190 nan 0.000 0.428 251 K N 4.024 124.367 120.400 -0.095 0.000 3.156 251 K HA -0.270 3.899 4.320 -0.251 0.000 0.266 251 K C 1.194 177.814 176.600 0.032 0.000 0.966 251 K CA 0.693 56.989 56.287 0.014 0.000 0.719 251 K CB -1.405 31.066 32.500 -0.049 0.000 1.333 251 K HN 1.533 nan 8.250 nan 0.000 0.468 252 G N 0.130 108.990 108.800 0.099 0.000 2.299 252 G HA2 -0.363 3.447 3.960 -0.251 0.000 0.237 252 G HA3 -0.363 3.447 3.960 -0.251 0.000 0.237 252 G C -0.049 174.814 174.900 -0.061 0.000 1.027 252 G CA 0.468 45.592 45.100 0.039 0.000 0.619 252 G HN 0.522 nan 8.290 nan 0.000 0.513 253 E N 1.458 121.602 120.200 -0.093 0.000 2.259 253 E HA 0.493 4.693 4.350 -0.251 0.000 0.281 253 E C 0.277 176.794 176.600 -0.138 0.000 1.027 253 E CA -0.607 55.724 56.400 -0.114 0.000 0.838 253 E CB 0.362 30.008 29.700 -0.090 0.000 1.066 253 E HN 0.327 nan 8.360 nan 0.000 0.401 254 K N 2.505 122.804 120.400 -0.167 0.000 2.350 254 K HA 0.067 4.237 4.320 -0.251 0.000 0.279 254 K C 0.651 177.259 176.600 0.014 0.000 1.027 254 K CA -0.026 56.185 56.287 -0.126 0.000 0.969 254 K CB 1.191 33.444 32.500 -0.413 0.000 0.954 254 K HN 0.485 nan 8.250 nan 0.000 0.474 255 V N 0.634 120.618 119.914 0.117 0.000 3.480 255 V HA 0.333 4.303 4.120 -0.251 0.000 0.263 255 V C -0.375 175.814 176.094 0.159 0.000 1.442 255 V CA -0.231 62.132 62.300 0.105 0.000 1.053 255 V CB 0.316 32.162 31.823 0.038 0.000 0.846 255 V HN 0.488 nan 8.190 nan 0.000 0.440 256 L N 1.944 123.299 121.223 0.220 0.000 2.676 256 L HA 0.571 4.761 4.340 -0.251 0.000 0.262 256 L C -1.189 175.509 176.870 -0.286 0.000 0.932 256 L CA -0.217 54.634 54.840 0.017 0.000 0.932 256 L CB 1.907 43.941 42.059 -0.041 0.000 1.355 256 L HN 0.221 nan 8.230 nan 0.000 0.421 257 N N 3.204 121.376 118.700 -0.881 0.000 2.420 257 N HA 0.081 4.670 4.740 -0.251 0.000 0.262 257 N C 1.256 176.351 175.510 -0.691 0.000 1.144 257 N CA 0.445 52.660 53.050 -1.392 0.000 0.952 257 N CB 1.525 39.024 38.487 -1.645 0.000 1.081 257 N HN 0.632 nan 8.380 nan 0.000 0.480 258 V N 2.972 122.507 119.914 -0.632 0.000 2.982 258 V HA -0.223 3.747 4.120 -0.251 0.000 0.265 258 V C 1.937 177.854 176.094 -0.296 0.000 1.122 258 V CA 1.898 63.910 62.300 -0.480 0.000 1.143 258 V CB -0.903 30.382 31.823 -0.896 0.000 0.726 258 V HN 0.792 nan 8.190 nan 0.000 0.507 259 K N 0.145 120.356 120.400 -0.315 0.000 2.442 259 K HA -0.093 4.076 4.320 -0.251 0.000 0.198 259 K C 1.555 178.075 176.600 -0.134 0.000 1.044 259 K CA 1.500 57.677 56.287 -0.182 0.000 0.948 259 K CB -0.245 32.144 32.500 -0.185 0.000 0.762 259 K HN 0.459 nan 8.250 nan 0.000 0.472 260 E N 0.616 120.717 120.200 -0.164 0.000 2.478 260 E HA 0.108 4.307 4.350 -0.251 0.000 0.194 260 E C 0.277 176.845 176.600 -0.053 0.000 1.045 260 E CA 0.339 56.677 56.400 -0.103 0.000 0.868 260 E CB 0.056 29.687 29.700 -0.115 0.000 0.885 260 E HN 0.450 nan 8.360 nan 0.000 0.505 261 M N 0.859 120.435 119.600 -0.039 0.000 2.249 261 M HA 0.116 4.445 4.480 -0.251 0.000 0.351 261 M C 1.232 177.551 176.300 0.032 0.000 1.180 261 M CA -0.260 55.054 55.300 0.023 0.000 1.127 261 M CB 1.053 33.702 32.600 0.082 0.000 1.546 261 M HN -0.360 nan 8.290 nan 0.000 0.461 262 K N 2.149 122.564 120.400 0.026 0.000 2.366 262 K HA 0.193 4.362 4.320 -0.251 0.000 0.198 262 K C 0.277 176.876 176.600 -0.002 0.000 1.044 262 K CA 0.677 56.964 56.287 -0.001 0.000 0.973 262 K CB -0.228 32.251 32.500 -0.035 0.000 0.767 262 K HN 0.603 nan 8.250 nan 0.000 0.475 263 L N 1.674 122.910 121.223 0.022 0.000 2.357 263 L HA 0.154 4.344 4.340 -0.251 0.000 0.273 263 L C 0.508 177.373 176.870 -0.009 0.000 1.080 263 L CA -0.471 54.362 54.840 -0.012 0.000 0.803 263 L CB 1.471 43.532 42.059 0.003 0.000 1.174 263 L HN 0.009 nan 8.230 nan 0.000 0.443 264 S N 0.253 115.876 115.700 -0.129 0.000 2.709 264 S HA 0.957 5.276 4.470 -0.251 0.000 0.302 264 S C -0.230 174.025 174.600 -0.576 0.000 1.127 264 S CA -0.393 57.662 58.200 -0.241 0.000 0.905 264 S CB 2.021 65.198 63.200 -0.038 0.000 1.151 264 S HN 1.135 nan 8.310 nan 0.000 0.510 265 G N 0.179 108.559 108.800 -0.700 0.000 3.067 265 G HA2 -0.093 3.717 3.960 -0.251 0.000 0.686 265 G HA3 -0.093 3.717 3.960 -0.251 0.000 0.686 265 G C 0.024 174.421 174.900 -0.838 0.000 1.119 265 G CA -0.015 44.749 45.100 -0.560 0.000 0.790 265 G HN 0.856 nan 8.290 nan 0.000 0.605 266 Q N 0.484 120.132 119.800 -0.255 0.000 2.112 266 Q HA -0.267 3.922 4.340 -0.251 0.000 0.206 266 Q C 2.435 178.413 176.000 -0.037 0.000 0.987 266 Q CA 2.574 58.381 55.803 0.007 0.000 0.858 266 Q CB -0.146 28.693 28.738 0.168 0.000 0.905 266 Q HN 0.978 nan 8.270 nan 0.000 0.420 267 H N -1.209 117.793 119.070 -0.114 0.000 2.423 267 H HA 0.001 4.407 4.556 -0.251 0.000 0.297 267 H C 1.304 176.580 175.328 -0.087 0.000 1.075 267 H CA 1.246 57.260 56.048 -0.057 0.000 1.342 267 H CB -0.303 29.419 29.762 -0.067 0.000 1.395 267 H HN 0.266 nan 8.280 nan 0.000 0.530 268 N N 0.600 118.754 118.700 -0.910 0.000 2.396 268 N HA -0.095 4.494 4.740 -0.251 0.000 0.180 268 N C 1.323 176.687 175.510 -0.243 0.000 1.028 268 N CA 0.593 53.296 53.050 -0.579 0.000 0.893 268 N CB -0.269 37.831 38.487 -0.645 0.000 0.967 268 N HN 0.358 nan 8.380 nan 0.000 0.440 269 Y N 0.991 121.216 120.300 -0.125 0.000 2.286 269 Y HA -0.036 4.364 4.550 -0.251 0.000 0.293 269 Y C 2.652 178.535 175.900 -0.028 0.000 1.124 269 Y CA 1.044 59.111 58.100 -0.056 0.000 1.178 269 Y CB -1.231 37.215 38.460 -0.023 0.000 1.010 269 Y HN 0.119 nan 8.280 nan 0.000 0.536 270 T N -1.998 112.641 114.554 0.142 0.000 2.867 270 T HA -0.137 4.062 4.350 -0.251 0.000 0.268 270 T C 1.700 176.332 174.700 -0.112 0.000 1.057 270 T CA 1.336 63.514 62.100 0.129 0.000 1.136 270 T CB -0.399 68.628 68.868 0.265 0.000 0.874 270 T HN 0.168 nan 8.240 nan 0.000 0.466 271 N N 2.284 120.920 118.700 -0.107 0.000 2.104 271 N HA 0.029 4.619 4.740 -0.251 0.000 0.190 271 N C 2.223 177.622 175.510 -0.184 0.000 1.024 271 N CA 1.555 54.498 53.050 -0.178 0.000 0.853 271 N CB -0.798 37.621 38.487 -0.113 0.000 1.008 271 N HN 0.617 nan 8.380 nan 0.000 0.424 272 A N 1.067 123.840 122.820 -0.078 0.000 1.902 272 A HA -0.045 4.125 4.320 -0.251 0.000 0.217 272 A C 2.391 179.930 177.584 -0.074 0.000 1.181 272 A CA 0.873 52.885 52.037 -0.042 0.000 0.623 272 A CB -0.675 18.357 19.000 0.053 0.000 0.818 272 A HN 0.214 nan 8.150 nan 0.000 0.443 273 L N -0.843 120.337 121.223 -0.072 0.000 2.017 273 L HA -0.191 3.999 4.340 -0.251 0.000 0.208 273 L C 3.127 179.806 176.870 -0.318 0.000 1.073 273 L CA 1.110 55.928 54.840 -0.038 0.000 0.745 273 L CB -0.618 41.508 42.059 0.111 0.000 0.894 273 L HN 0.438 nan 8.230 nan 0.000 0.432 274 A N 0.088 122.526 122.820 -0.637 0.000 1.877 274 A HA -0.178 3.992 4.320 -0.251 0.000 0.216 274 A C 2.543 179.875 177.584 -0.421 0.000 1.186 274 A CA 1.794 53.350 52.037 -0.803 0.000 0.620 274 A CB -0.762 17.566 19.000 -1.119 0.000 0.822 274 A HN 0.401 nan 8.150 nan 0.000 0.443 275 A N -0.616 122.021 122.820 -0.306 0.000 1.883 275 A HA -0.073 4.097 4.320 -0.251 0.000 0.217 275 A C 2.147 179.629 177.584 -0.170 0.000 1.186 275 A CA 1.790 53.705 52.037 -0.203 0.000 0.624 275 A CB -0.691 18.207 19.000 -0.170 0.000 0.822 275 A HN 0.580 nan 8.150 nan 0.000 0.444 276 L N -0.263 120.870 121.223 -0.150 0.000 2.012 276 L HA -0.133 4.057 4.340 -0.251 0.000 0.210 276 L C 2.802 179.572 176.870 -0.166 0.000 1.073 276 L CA 2.214 57.017 54.840 -0.063 0.000 0.748 276 L CB -0.727 41.387 42.059 0.091 0.000 0.891 276 L HN 0.376 nan 8.230 nan 0.000 0.431 277 A N -0.902 121.576 122.820 -0.571 0.000 1.902 277 A HA -0.180 3.990 4.320 -0.251 0.000 0.217 277 A C 2.259 179.676 177.584 -0.278 0.000 1.181 277 A CA 1.987 53.518 52.037 -0.843 0.000 0.623 277 A CB -0.815 17.519 19.000 -1.109 0.000 0.818 277 A HN 0.486 nan 8.150 nan 0.000 0.443 278 L N -0.947 120.152 121.223 -0.207 0.000 2.005 278 L HA -0.161 4.029 4.340 -0.251 0.000 0.207 278 L C 3.156 179.994 176.870 -0.053 0.000 1.072 278 L CA 1.033 55.815 54.840 -0.096 0.000 0.744 278 L CB -0.660 41.347 42.059 -0.088 0.000 0.895 278 L HN 0.425 nan 8.230 nan 0.000 0.433 279 A N 0.103 122.889 122.820 -0.057 0.000 1.892 279 A HA -0.286 3.884 4.320 -0.251 0.000 0.218 279 A C 1.947 179.535 177.584 0.007 0.000 1.188 279 A CA 2.272 54.295 52.037 -0.023 0.000 0.631 279 A CB -0.704 18.282 19.000 -0.023 0.000 0.822 279 A HN 0.401 nan 8.150 nan 0.000 0.447 280 D N -0.063 120.355 120.400 0.029 0.000 2.104 280 D HA -0.110 4.379 4.640 -0.251 0.000 0.194 280 D C 2.236 178.569 176.300 0.054 0.000 0.994 280 D CA 1.717 55.759 54.000 0.069 0.000 0.830 280 D CB -0.538 40.357 40.800 0.158 0.000 0.959 280 D HN 0.449 nan 8.370 nan 0.000 0.452 281 A N 0.843 123.687 122.820 0.040 0.000 1.972 281 A HA -0.018 4.151 4.320 -0.251 0.000 0.219 281 A C 2.177 179.779 177.584 0.031 0.000 1.169 281 A CA 1.870 53.929 52.037 0.037 0.000 0.635 281 A CB -0.455 18.561 19.000 0.027 0.000 0.810 281 A HN 0.235 nan 8.150 nan 0.000 0.446 282 A N -1.888 120.946 122.820 0.023 0.000 2.235 282 A HA 0.399 4.568 4.320 -0.251 0.000 0.208 282 A C 1.830 179.426 177.584 0.021 0.000 1.172 282 A CA 1.221 53.271 52.037 0.023 0.000 0.786 282 A CB -0.926 18.084 19.000 0.017 0.000 0.804 282 A HN 1.857 nan 8.150 nan 0.000 0.479 283 G N -1.336 107.479 108.800 0.024 0.000 2.176 283 G HA2 -0.220 3.590 3.960 -0.251 0.000 0.253 283 G HA3 -0.220 3.590 3.960 -0.251 0.000 0.253 283 G C 0.159 175.070 174.900 0.018 0.000 0.979 283 G CA 0.198 45.311 45.100 0.022 0.000 0.641 283 G HN 0.436 nan 8.290 nan 0.000 0.530 284 L N 1.423 122.655 121.223 0.016 0.000 2.490 284 L HA 0.285 4.475 4.340 -0.251 0.000 0.274 284 L C -1.540 175.340 176.870 0.016 0.000 1.201 284 L CA -1.535 53.311 54.840 0.011 0.000 0.869 284 L CB 0.367 42.428 42.059 0.004 0.000 1.123 284 L HN -0.054 nan 8.230 nan 0.000 0.484 285 P HA 0.057 nan 4.420 nan 0.000 0.267 285 P C 0.200 177.512 177.300 0.019 0.000 1.209 285 P CA -0.125 62.984 63.100 0.016 0.000 0.763 285 P CB 0.604 32.310 31.700 0.011 0.000 0.816 286 R N 4.058 124.574 120.500 0.026 0.000 2.105 286 R HA -0.217 3.972 4.340 -0.251 0.000 0.239 286 R C 1.860 178.175 176.300 0.026 0.000 1.135 286 R CA 1.961 58.080 56.100 0.032 0.000 0.967 286 R CB -0.655 29.667 30.300 0.037 0.000 0.861 286 R HN 0.540 nan 8.270 nan 0.000 0.442 287 A N 0.409 123.241 122.820 0.020 0.000 1.865 287 A HA -0.227 3.943 4.320 -0.251 0.000 0.217 287 A C 2.177 179.770 177.584 0.016 0.000 1.191 287 A CA 2.228 54.276 52.037 0.018 0.000 0.623 287 A CB -0.896 18.113 19.000 0.015 0.000 0.826 287 A HN 0.614 nan 8.150 nan 0.000 0.444 288 S N -0.664 115.044 115.700 0.013 0.000 2.423 288 S HA -0.086 4.233 4.470 -0.251 0.000 0.231 288 S C 1.940 176.546 174.600 0.009 0.000 1.014 288 S CA 1.467 59.673 58.200 0.011 0.000 0.965 288 S CB -0.515 62.690 63.200 0.008 0.000 0.785 288 S HN 0.435 nan 8.310 nan 0.000 0.495 289 S N 2.085 117.792 115.700 0.011 0.000 2.387 289 S HA 0.188 4.508 4.470 -0.251 0.000 0.226 289 S C 1.748 176.354 174.600 0.009 0.000 1.026 289 S CA 1.023 59.227 58.200 0.006 0.000 0.972 289 S CB -0.489 62.718 63.200 0.011 0.000 0.814 289 S HN 0.455 nan 8.310 nan 0.000 0.477 290 L N 1.346 122.580 121.223 0.018 0.000 2.141 290 L HA -0.071 4.119 4.340 -0.251 0.000 0.209 290 L C 2.455 179.334 176.870 0.015 0.000 1.094 290 L CA 1.121 55.972 54.840 0.018 0.000 0.763 290 L CB -0.392 41.680 42.059 0.022 0.000 0.908 290 L HN 0.284 nan 8.230 nan 0.000 0.437 291 K N 0.835 121.244 120.400 0.015 0.000 2.057 291 K HA -0.156 4.013 4.320 -0.251 0.000 0.206 291 K C 2.149 178.764 176.600 0.025 0.000 1.050 291 K CA 1.336 57.633 56.287 0.017 0.000 0.935 291 K CB -0.124 32.386 32.500 0.015 0.000 0.715 291 K HN 0.201 nan 8.250 nan 0.000 0.439 292 A N 1.306 124.141 122.820 0.023 0.000 1.972 292 A HA -0.094 4.076 4.320 -0.251 0.000 0.219 292 A C 2.060 179.679 177.584 0.059 0.000 1.169 292 A CA 1.285 53.341 52.037 0.033 0.000 0.635 292 A CB -0.614 18.388 19.000 0.003 0.000 0.810 292 A HN 0.367 nan 8.150 nan 0.000 0.446 293 L N -0.089 121.159 121.223 0.042 0.000 2.362 293 L HA -0.108 4.082 4.340 -0.251 0.000 0.219 293 L C 2.654 179.572 176.870 0.080 0.000 1.134 293 L CA 1.590 56.468 54.840 0.064 0.000 0.807 293 L CB -0.595 41.485 42.059 0.034 0.000 0.927 293 L HN 0.674 nan 8.230 nan 0.000 0.447 294 T N -5.679 108.907 114.554 0.054 0.000 3.057 294 T HA -0.032 4.167 4.350 -0.251 0.000 0.254 294 T C 1.666 176.395 174.700 0.049 0.000 1.094 294 T CA 0.780 62.903 62.100 0.037 0.000 1.088 294 T CB -0.118 68.756 68.868 0.010 0.000 0.934 294 T HN 0.359 nan 8.240 nan 0.000 0.497 295 T N -1.332 113.268 114.554 0.077 0.000 3.040 295 T HA 0.299 4.498 4.350 -0.251 0.000 0.252 295 T C 0.380 175.151 174.700 0.119 0.000 1.064 295 T CA -0.581 61.565 62.100 0.076 0.000 1.110 295 T CB -0.638 68.273 68.868 0.071 0.000 0.921 295 T HN 0.243 nan 8.240 nan 0.000 0.480 296 F N 4.544 124.494 119.950 -0.000 0.000 2.578 296 F HA 0.306 4.683 4.527 -0.250 0.000 0.376 296 F C 1.507 177.310 175.800 0.004 0.000 1.085 296 F CA -0.178 57.823 58.000 0.002 0.000 1.260 296 F CB 1.004 40.002 39.000 -0.002 0.000 1.095 296 F HN 0.208 nan 8.300 nan 0.000 0.573 297 T N 1.826 115.998 114.554 -0.636 0.000 3.015 297 T HA 0.570 4.770 4.350 -0.251 0.000 0.250 297 T C 0.777 175.034 174.700 -0.738 0.000 1.057 297 T CA 0.233 62.026 62.100 -0.511 0.000 1.066 297 T CB -0.346 68.358 68.868 -0.272 0.000 0.959 297 T HN 1.288 nan 8.240 nan 0.000 0.488 298 G N 0.709 108.619 108.800 -1.485 0.000 2.381 298 G HA2 0.231 4.040 3.960 -0.251 0.000 0.672 298 G HA3 0.231 4.040 3.960 -0.251 0.000 0.672 298 G C -1.646 173.043 174.900 -0.352 0.000 1.324 298 G CA -1.039 43.538 45.100 -0.872 0.000 0.975 298 G HN 0.435 nan 8.290 nan 0.000 0.593 299 L N 1.642 122.867 121.223 0.003 0.000 2.334 299 L HA 0.556 4.745 4.340 -0.251 0.000 0.275 299 L C -1.607 175.301 176.870 0.063 0.000 1.036 299 L CA -2.019 52.893 54.840 0.121 0.000 0.807 299 L CB 2.018 44.214 42.059 0.229 0.000 1.231 299 L HN 0.440 nan 8.230 nan 0.000 0.438 300 P HA 0.040 nan 4.420 nan 0.000 0.272 300 P C -0.369 176.920 177.300 -0.018 0.000 1.223 300 P CA 0.261 63.289 63.100 -0.120 0.000 0.784 300 P CB 0.438 32.002 31.700 -0.228 0.000 0.923 301 H N -2.125 117.020 119.070 0.124 0.000 3.642 301 H HA -0.154 4.252 4.556 -0.251 0.000 0.185 301 H C 0.445 175.839 175.328 0.110 0.000 0.992 301 H CA 1.012 57.151 56.048 0.153 0.000 1.216 301 H CB -1.260 28.705 29.762 0.339 0.000 1.055 301 H HN 0.387 nan 8.280 nan 0.000 0.351 302 R N 0.566 121.168 120.500 0.169 0.000 2.423 302 R HA 0.290 4.479 4.340 -0.251 0.000 0.293 302 R C -0.708 175.715 176.300 0.206 0.000 1.196 302 R CA -0.944 55.251 56.100 0.158 0.000 1.262 302 R CB -1.306 29.081 30.300 0.145 0.000 1.116 302 R HN 0.179 nan 8.270 nan 0.000 0.566 303 F N 1.357 121.319 119.950 0.019 0.000 2.773 303 F HA -0.285 4.092 4.527 -0.251 0.000 0.251 303 F C -0.446 175.361 175.800 0.012 0.000 1.020 303 F CA 1.314 59.321 58.000 0.011 0.000 0.924 303 F CB -0.133 38.880 39.000 0.020 0.000 0.919 303 F HN 0.659 nan 8.300 nan 0.000 0.846 304 E N 1.803 121.952 120.200 -0.085 0.000 2.151 304 E HA 0.514 4.713 4.350 -0.251 0.000 0.275 304 E C -0.677 175.870 176.600 -0.088 0.000 0.936 304 E CA -0.837 55.525 56.400 -0.064 0.000 0.777 304 E CB 1.294 30.962 29.700 -0.053 0.000 1.108 304 E HN 0.161 nan 8.360 nan 0.000 0.401 305 V N 6.092 125.971 119.914 -0.058 0.000 2.439 305 V HA -0.008 3.962 4.120 -0.251 0.000 0.271 305 V C 1.233 177.346 176.094 0.031 0.000 1.040 305 V CA 0.061 62.357 62.300 -0.007 0.000 1.002 305 V CB 0.645 32.476 31.823 0.013 0.000 1.000 305 V HN 0.722 nan 8.190 nan 0.000 0.477 306 V N 3.017 122.983 119.914 0.087 0.000 3.644 306 V HA 0.469 4.439 4.120 -0.251 0.000 0.267 306 V C 0.342 176.441 176.094 0.008 0.000 1.277 306 V CA 0.449 62.776 62.300 0.044 0.000 1.096 306 V CB 0.253 32.118 31.823 0.071 0.000 0.828 306 V HN 0.588 nan 8.190 nan 0.000 0.446 307 L N 0.852 122.121 121.223 0.077 0.000 2.666 307 L HA 0.546 4.735 4.340 -0.251 0.000 0.259 307 L C -1.815 175.191 176.870 0.227 0.000 0.919 307 L CA -0.171 54.706 54.840 0.062 0.000 0.927 307 L CB 2.411 44.388 42.059 -0.137 0.000 1.423 307 L HN 0.303 nan 8.230 nan 0.000 0.426 308 E N 4.387 124.697 120.200 0.184 0.000 2.731 308 E HA 0.299 4.498 4.350 -0.251 0.000 0.248 308 E C -1.739 175.000 176.600 0.232 0.000 1.084 308 E CA -0.339 56.185 56.400 0.206 0.000 0.776 308 E CB 0.805 30.582 29.700 0.128 0.000 1.404 308 E HN 0.627 nan 8.360 nan 0.000 0.395 309 H N 3.734 122.885 119.070 0.134 0.000 2.894 309 H HA 0.242 4.648 4.556 -0.251 0.000 0.367 309 H C -0.397 174.992 175.328 0.103 0.000 1.144 309 H CA -0.469 55.630 56.048 0.085 0.000 1.180 309 H CB 1.064 30.851 29.762 0.041 0.000 1.758 309 H HN 0.521 nan 8.280 nan 0.000 0.541 310 N N 2.603 121.076 118.700 -0.379 0.000 2.754 310 N HA -0.166 4.424 4.740 -0.251 0.000 0.248 310 N C 0.871 176.344 175.510 -0.063 0.000 1.093 310 N CA 1.424 54.330 53.050 -0.241 0.000 0.699 310 N CB -1.558 36.812 38.487 -0.196 0.000 1.016 310 N HN 1.040 nan 8.380 nan 0.000 0.552 311 G N -2.344 106.440 108.800 -0.027 0.000 2.143 311 G HA2 -0.270 3.540 3.960 -0.251 0.000 0.248 311 G HA3 -0.270 3.540 3.960 -0.251 0.000 0.248 311 G C -0.162 174.749 174.900 0.017 0.000 0.991 311 G CA 0.403 45.505 45.100 0.003 0.000 0.689 311 G HN 0.620 nan 8.290 nan 0.000 0.522 312 V N 0.278 120.222 119.914 0.051 0.000 2.525 312 V HA 0.551 4.520 4.120 -0.251 0.000 0.299 312 V C 0.406 176.534 176.094 0.057 0.000 1.034 312 V CA -1.032 61.276 62.300 0.014 0.000 0.863 312 V CB 1.724 33.555 31.823 0.013 0.000 0.999 312 V HN 0.356 nan 8.190 nan 0.000 0.423 313 R N 3.270 123.747 120.500 -0.039 0.000 2.312 313 R HA 0.421 4.610 4.340 -0.251 0.000 0.311 313 R C -1.607 174.628 176.300 -0.109 0.000 1.004 313 R CA -0.356 55.760 56.100 0.025 0.000 0.902 313 R CB 1.349 31.658 30.300 0.016 0.000 1.073 313 R HN 0.632 nan 8.270 nan 0.000 0.457 314 W N 4.845 126.167 121.300 0.036 0.000 2.296 314 W HA 0.420 4.930 4.660 -0.251 0.000 0.316 314 W C -0.357 176.243 176.519 0.134 0.000 1.022 314 W CA -0.330 57.079 57.345 0.106 0.000 1.324 314 W CB 0.572 30.034 29.460 0.004 0.000 1.227 314 W HN 0.292 nan 8.180 nan 0.000 0.409 315 I N 3.670 124.365 120.570 0.209 0.000 2.359 315 I HA 0.170 4.189 4.170 -0.251 0.000 0.294 315 I C 0.065 176.106 176.117 -0.128 0.000 0.987 315 I CA -0.901 60.350 61.300 -0.081 0.000 1.225 315 I CB 1.363 39.041 38.000 -0.537 0.000 1.366 315 I HN 0.267 nan 8.210 nan 0.000 0.466 316 N N 4.681 123.322 118.700 -0.097 0.000 2.527 316 N HA 0.125 4.715 4.740 -0.251 0.000 0.236 316 N C -0.763 174.662 175.510 -0.141 0.000 0.999 316 N CA -0.203 52.734 53.050 -0.189 0.000 0.935 316 N CB 0.633 39.187 38.487 0.111 0.000 1.132 316 N HN 0.452 nan 8.380 nan 0.000 0.511 317 D N 1.525 121.813 120.400 -0.186 0.000 3.008 317 D HA 0.150 4.640 4.640 -0.251 0.000 0.312 317 D C 0.825 177.108 176.300 -0.028 0.000 1.361 317 D CA -0.105 53.876 54.000 -0.032 0.000 0.858 317 D CB 0.102 40.923 40.800 0.036 0.000 1.098 317 D HN 0.384 nan 8.370 nan 0.000 0.482 318 S N 0.228 115.938 115.700 0.016 0.000 2.419 318 S HA -0.172 4.148 4.470 -0.251 0.000 0.235 318 S C 1.762 176.387 174.600 0.042 0.000 1.019 318 S CA 1.083 59.314 58.200 0.051 0.000 0.982 318 S CB -0.020 63.249 63.200 0.116 0.000 0.789 318 S HN 0.335 nan 8.310 nan 0.000 0.490 319 K N 0.753 121.138 120.400 -0.025 0.000 2.504 319 K HA 0.186 4.356 4.320 -0.251 0.000 0.195 319 K C 0.402 176.828 176.600 -0.291 0.000 1.036 319 K CA 0.494 56.509 56.287 -0.453 0.000 0.984 319 K CB -0.210 32.042 32.500 -0.414 0.000 0.788 319 K HN 0.356 nan 8.250 nan 0.000 0.488 320 A N 1.670 124.415 122.820 -0.124 0.000 2.666 320 A HA 0.047 4.217 4.320 -0.251 0.000 0.301 320 A C 0.545 178.077 177.584 -0.086 0.000 1.470 320 A CA -0.021 51.961 52.037 -0.092 0.000 1.159 320 A CB -0.384 18.588 19.000 -0.047 0.000 1.116 320 A HN 0.376 nan 8.150 nan 0.000 0.548 321 T N -1.017 113.470 114.554 -0.112 0.000 3.176 321 T HA 0.293 4.493 4.350 -0.251 0.000 0.263 321 T C 0.102 174.762 174.700 -0.067 0.000 1.021 321 T CA -0.070 61.986 62.100 -0.073 0.000 0.905 321 T CB -0.852 67.966 68.868 -0.083 0.000 1.057 321 T HN 0.766 nan 8.240 nan 0.000 0.558 322 N N -1.369 117.296 118.700 -0.059 0.000 2.825 322 N HA 0.351 4.941 4.740 -0.251 0.000 0.253 322 N C 0.449 175.960 175.510 0.002 0.000 1.426 322 N CA -0.966 52.057 53.050 -0.044 0.000 0.851 322 N CB 1.018 39.440 38.487 -0.108 0.000 1.470 322 N HN -0.183 nan 8.380 nan 0.000 0.517 323 V N 0.096 120.034 119.914 0.040 0.000 2.392 323 V HA -0.089 3.880 4.120 -0.251 0.000 0.249 323 V C 2.293 178.399 176.094 0.021 0.000 1.059 323 V CA 2.510 64.854 62.300 0.072 0.000 1.051 323 V CB -1.285 30.598 31.823 0.100 0.000 0.658 323 V HN 0.896 nan 8.190 nan 0.000 0.455 324 G N -1.147 107.653 108.800 0.001 0.000 2.418 324 G HA2 -0.286 3.524 3.960 -0.251 0.000 0.217 324 G HA3 -0.286 3.524 3.960 -0.251 0.000 0.217 324 G C 1.913 176.775 174.900 -0.064 0.000 1.158 324 G CA 1.245 46.337 45.100 -0.014 0.000 0.771 324 G HN 0.487 nan 8.290 nan 0.000 0.545 325 S N -0.159 115.501 115.700 -0.066 0.000 2.348 325 S HA -0.125 4.194 4.470 -0.251 0.000 0.221 325 S C 2.544 177.072 174.600 -0.120 0.000 1.033 325 S CA 2.203 60.345 58.200 -0.098 0.000 1.010 325 S CB -0.711 62.442 63.200 -0.079 0.000 0.891 325 S HN 0.350 nan 8.310 nan 0.000 0.442 326 T N 1.536 116.040 114.554 -0.082 0.000 2.759 326 T HA -0.137 4.062 4.350 -0.251 0.000 0.269 326 T C 1.754 176.357 174.700 -0.161 0.000 1.042 326 T CA 1.736 63.785 62.100 -0.085 0.000 1.140 326 T CB -0.460 68.381 68.868 -0.045 0.000 0.864 326 T HN 0.628 nan 8.240 nan 0.000 0.455 327 E N 0.697 120.799 120.200 -0.164 0.000 2.118 327 E HA -0.139 4.060 4.350 -0.251 0.000 0.195 327 E C 2.345 178.704 176.600 -0.403 0.000 0.992 327 E CA 1.047 57.271 56.400 -0.293 0.000 0.804 327 E CB -0.225 29.414 29.700 -0.102 0.000 0.741 327 E HN 0.493 nan 8.360 nan 0.000 0.458 328 A N 1.012 123.629 122.820 -0.339 0.000 1.933 328 A HA -0.107 4.063 4.320 -0.251 0.000 0.218 328 A C 2.375 179.642 177.584 -0.530 0.000 1.175 328 A CA 1.758 53.496 52.037 -0.499 0.000 0.628 328 A CB -0.733 17.850 19.000 -0.696 0.000 0.814 328 A HN 0.421 nan 8.150 nan 0.000 0.444 329 A N -0.645 121.940 122.820 -0.392 0.000 1.969 329 A HA 0.082 4.251 4.320 -0.251 0.000 0.218 329 A C 2.100 179.533 177.584 -0.251 0.000 1.169 329 A CA 1.375 53.223 52.037 -0.314 0.000 0.635 329 A CB -0.389 18.599 19.000 -0.019 0.000 0.810 329 A HN 0.470 nan 8.150 nan 0.000 0.445 330 L N -0.806 120.230 121.223 -0.313 0.000 2.202 330 L HA 0.037 4.227 4.340 -0.251 0.000 0.205 330 L C 0.753 177.389 176.870 -0.390 0.000 1.083 330 L CA -0.074 54.570 54.840 -0.326 0.000 0.790 330 L CB -0.417 41.376 42.059 -0.444 0.000 0.942 330 L HN 0.291 nan 8.230 nan 0.000 0.452 331 N N 1.218 119.590 118.700 -0.547 0.000 2.429 331 N HA 0.018 4.607 4.740 -0.251 0.000 0.271 331 N C 0.997 176.452 175.510 -0.092 0.000 1.272 331 N CA 1.241 54.121 53.050 -0.283 0.000 0.921 331 N CB 0.747 39.117 38.487 -0.195 0.000 1.128 331 N HN 0.395 nan 8.380 nan 0.000 0.481 332 G N 2.487 111.294 108.800 0.012 0.000 2.179 332 G HA2 -0.290 3.520 3.960 -0.251 0.000 0.260 332 G HA3 -0.290 3.520 3.960 -0.251 0.000 0.260 332 G C 0.204 175.125 174.900 0.034 0.000 0.977 332 G CA 0.256 45.376 45.100 0.035 0.000 0.641 332 G HN 0.622 nan 8.290 nan 0.000 0.533 333 L N 1.569 122.794 121.223 0.003 0.000 2.540 333 L HA 0.540 4.729 4.340 -0.251 0.000 0.276 333 L C 0.514 177.440 176.870 0.093 0.000 1.212 333 L CA -0.324 54.536 54.840 0.033 0.000 0.893 333 L CB 0.208 42.274 42.059 0.012 0.000 1.138 333 L HN 0.400 nan 8.230 nan 0.000 0.491 334 H N 4.187 123.280 119.070 0.038 0.000 2.519 334 H HA 0.652 5.057 4.556 -0.251 0.000 0.316 334 H C -1.339 174.014 175.328 0.042 0.000 1.065 334 H CA -0.589 55.482 56.048 0.038 0.000 1.264 334 H CB 1.064 30.849 29.762 0.038 0.000 1.413 334 H HN 0.441 nan 8.280 nan 0.000 0.465 335 V N 6.023 125.573 119.914 -0.607 0.000 2.638 335 V HA 0.098 4.068 4.120 -0.251 0.000 0.306 335 V C 0.234 176.019 176.094 -0.516 0.000 1.052 335 V CA -0.685 61.345 62.300 -0.451 0.000 0.885 335 V CB 2.059 33.766 31.823 -0.193 0.000 0.999 335 V HN 0.931 nan 8.190 nan 0.000 0.424 336 D N 3.006 123.190 120.400 -0.360 0.000 2.123 336 D HA 0.011 4.501 4.640 -0.251 0.000 0.200 336 D C 1.255 177.496 176.300 -0.098 0.000 0.976 336 D CA 1.619 55.518 54.000 -0.169 0.000 0.831 336 D CB 0.606 41.386 40.800 -0.033 0.000 0.974 336 D HN 0.705 nan 8.370 nan 0.000 0.469 337 G N -0.249 108.493 108.800 -0.095 0.000 3.157 337 G HA2 0.212 4.022 3.960 -0.251 0.000 0.206 337 G HA3 0.212 4.022 3.960 -0.251 0.000 0.206 337 G C -0.225 174.617 174.900 -0.097 0.000 1.903 337 G CA -0.033 45.026 45.100 -0.068 0.000 0.771 337 G HN 0.022 nan 8.290 nan 0.000 0.750 338 T N 0.880 115.364 114.554 -0.117 0.000 2.824 338 T HA 0.484 4.684 4.350 -0.251 0.000 0.280 338 T C -0.940 173.576 174.700 -0.306 0.000 0.995 338 T CA -0.212 61.757 62.100 -0.218 0.000 1.009 338 T CB 1.825 70.525 68.868 -0.281 0.000 0.955 338 T HN 0.335 nan 8.240 nan 0.000 0.452 339 L N 4.753 125.818 121.223 -0.263 0.000 2.260 339 L HA 0.328 4.518 4.340 -0.251 0.000 0.289 339 L C -0.389 176.341 176.870 -0.232 0.000 1.057 339 L CA -0.147 54.580 54.840 -0.189 0.000 0.811 339 L CB 0.086 42.093 42.059 -0.087 0.000 1.184 339 L HN 0.624 nan 8.230 nan 0.000 0.429 340 H N 6.521 125.620 119.070 0.049 0.000 2.787 340 H HA 0.267 4.672 4.556 -0.251 0.000 0.275 340 H C -0.747 174.694 175.328 0.189 0.000 1.183 340 H CA -0.619 55.562 56.048 0.221 0.000 1.290 340 H CB 1.217 31.006 29.762 0.044 0.000 1.438 340 H HN 0.482 nan 8.280 nan 0.000 0.487 341 L N 4.608 126.004 121.223 0.289 0.000 2.275 341 L HA 0.289 4.479 4.340 -0.251 0.000 0.288 341 L C -0.906 176.136 176.870 0.286 0.000 1.046 341 L CA -0.455 54.502 54.840 0.195 0.000 0.805 341 L CB 0.717 42.827 42.059 0.085 0.000 1.193 341 L HN 0.381 nan 8.230 nan 0.000 0.426 342 L N 6.617 127.985 121.223 0.241 0.000 2.264 342 L HA 0.510 4.699 4.340 -0.251 0.000 0.289 342 L C -0.637 176.360 176.870 0.212 0.000 1.044 342 L CA 0.017 55.052 54.840 0.324 0.000 0.807 342 L CB 1.031 43.300 42.059 0.350 0.000 1.192 342 L HN 0.555 nan 8.230 nan 0.000 0.425 343 L N 2.985 124.280 121.223 0.120 0.000 2.370 343 L HA 1.026 5.216 4.340 -0.251 0.000 0.266 343 L C 0.246 176.809 176.870 -0.511 0.000 1.002 343 L CA -0.555 54.196 54.840 -0.149 0.000 0.818 343 L CB 2.164 44.099 42.059 -0.207 0.000 1.325 343 L HN 0.696 nan 8.230 nan 0.000 0.418 344 G N -0.051 108.358 108.800 -0.652 0.000 2.350 344 G HA2 0.513 4.323 3.960 -0.251 0.000 0.304 344 G HA3 0.513 4.323 3.960 -0.251 0.000 0.304 344 G C -0.630 173.919 174.900 -0.585 0.000 1.421 344 G CA 0.301 44.865 45.100 -0.894 0.000 0.934 344 G HN 1.176 nan 8.290 nan 0.000 0.632 345 G N -0.133 108.464 108.800 -0.338 0.000 2.301 345 G HA2 0.414 4.223 3.960 -0.251 0.000 0.194 345 G HA3 0.414 4.223 3.960 -0.251 0.000 0.194 345 G C -1.003 173.905 174.900 0.012 0.000 1.266 345 G CA 0.862 45.930 45.100 -0.054 0.000 1.210 345 G HN 1.853 nan 8.290 nan 0.000 0.524 346 D N 1.021 121.461 120.400 0.066 0.000 2.456 346 D HA 0.528 5.017 4.640 -0.251 0.000 0.219 346 D C 1.472 177.832 176.300 0.100 0.000 1.126 346 D CA 0.804 54.852 54.000 0.079 0.000 0.890 346 D CB 0.514 41.363 40.800 0.083 0.000 1.025 346 D HN 0.896 nan 8.370 nan 0.000 0.511 347 G N 3.022 111.920 108.800 0.163 0.000 2.679 347 G HA2 -0.180 3.630 3.960 -0.251 0.000 0.212 347 G HA3 -0.180 3.630 3.960 -0.251 0.000 0.212 347 G C 0.667 175.582 174.900 0.024 0.000 1.137 347 G CA -0.044 45.206 45.100 0.252 0.000 0.787 347 G HN 0.718 nan 8.290 nan 0.000 0.534 348 K N -0.941 119.466 120.400 0.012 0.000 3.129 348 K HA -0.222 3.948 4.320 -0.251 0.000 0.273 348 K C 1.063 177.612 176.600 -0.084 0.000 1.123 348 K CA 0.402 56.675 56.287 -0.024 0.000 0.800 348 K CB -1.791 30.694 32.500 -0.025 0.000 1.238 348 K HN 0.298 nan 8.250 nan 0.000 0.492 349 S N -3.341 112.291 115.700 -0.114 0.000 3.084 349 S HA -0.256 4.063 4.470 -0.251 0.000 0.277 349 S C 0.458 174.898 174.600 -0.266 0.000 1.295 349 S CA 0.847 58.952 58.200 -0.158 0.000 1.170 349 S CB -1.131 62.009 63.200 -0.100 0.000 1.412 349 S HN 0.833 nan 8.310 nan 0.000 0.669 350 A N 1.349 123.941 122.820 -0.380 0.000 2.498 350 A HA 0.416 4.585 4.320 -0.251 0.000 0.239 350 A C 0.246 177.412 177.584 -0.697 0.000 1.068 350 A CA 0.191 51.951 52.037 -0.463 0.000 0.766 350 A CB 0.174 18.920 19.000 -0.424 0.000 1.003 350 A HN 0.345 nan 8.150 nan 0.000 0.497 351 D N 1.214 121.368 120.400 -0.409 0.000 2.339 351 D HA 0.279 4.769 4.640 -0.251 0.000 0.256 351 D C 0.003 176.147 176.300 -0.261 0.000 1.214 351 D CA -0.025 53.791 54.000 -0.307 0.000 0.877 351 D CB -0.033 40.686 40.800 -0.135 0.000 1.111 351 D HN 0.307 nan 8.370 nan 0.000 0.478 352 F N 1.691 121.632 119.950 -0.014 0.000 2.743 352 F HA 0.027 4.403 4.527 -0.251 0.000 0.297 352 F C 2.494 178.295 175.800 0.002 0.000 1.131 352 F CA -0.119 57.875 58.000 -0.010 0.000 1.426 352 F CB -0.495 38.495 39.000 -0.017 0.000 1.116 352 F HN 0.311 nan 8.300 nan 0.000 0.583 353 S N 1.262 117.048 115.700 0.144 0.000 2.393 353 S HA -0.236 4.083 4.470 -0.251 0.000 0.234 353 S C -0.298 174.345 174.600 0.073 0.000 1.064 353 S CA 1.953 60.202 58.200 0.082 0.000 1.088 353 S CB -1.577 61.643 63.200 0.035 0.000 0.939 353 S HN 0.257 nan 8.310 nan 0.000 0.448 354 P HA -0.103 nan 4.420 nan 0.000 0.218 354 P C 1.214 178.604 177.300 0.150 0.000 1.146 354 P CA 0.938 64.090 63.100 0.086 0.000 0.820 354 P CB -0.157 31.603 31.700 0.100 0.000 0.778 355 L N -1.454 119.877 121.223 0.181 0.000 2.109 355 L HA -0.117 4.072 4.340 -0.251 0.000 0.207 355 L C 2.502 179.478 176.870 0.178 0.000 1.086 355 L CA 1.218 56.205 54.840 0.244 0.000 0.760 355 L CB -1.250 40.902 42.059 0.155 0.000 0.910 355 L HN -0.045 nan 8.230 nan 0.000 0.437 356 A N 1.513 124.377 122.820 0.074 0.000 1.940 356 A HA -0.300 3.870 4.320 -0.251 0.000 0.221 356 A C 2.313 179.872 177.584 -0.042 0.000 1.190 356 A CA 2.444 54.492 52.037 0.018 0.000 0.647 356 A CB -0.813 18.189 19.000 0.004 0.000 0.821 356 A HN 0.601 nan 8.150 nan 0.000 0.457 357 R N -2.202 118.205 120.500 -0.155 0.000 2.293 357 R HA -0.112 4.078 4.340 -0.251 0.000 0.219 357 R C 0.993 177.091 176.300 -0.337 0.000 1.091 357 R CA 1.735 57.661 56.100 -0.290 0.000 1.004 357 R CB -0.470 29.572 30.300 -0.430 0.000 0.865 357 R HN 0.559 nan 8.270 nan 0.000 0.469 358 Y N 0.250 120.545 120.300 -0.008 0.000 2.449 358 Y HA 0.292 4.692 4.550 -0.251 0.000 0.254 358 Y C 1.333 177.223 175.900 -0.017 0.000 1.140 358 Y CA -0.192 57.901 58.100 -0.011 0.000 1.272 358 Y CB 0.623 39.076 38.460 -0.011 0.000 1.114 358 Y HN -0.052 nan 8.280 nan 0.000 0.525 359 L N 0.249 121.529 121.223 0.094 0.000 2.685 359 L HA 0.154 4.343 4.340 -0.251 0.000 0.233 359 L C 0.021 176.894 176.870 0.005 0.000 1.173 359 L CA -0.068 54.797 54.840 0.043 0.000 0.961 359 L CB -0.401 41.674 42.059 0.026 0.000 1.217 359 L HN 0.147 nan 8.230 nan 0.000 0.478 360 N N 0.855 119.555 118.700 0.000 0.000 2.405 360 N HA 0.580 5.170 4.740 -0.251 0.000 0.269 360 N C 0.544 176.048 175.510 -0.011 0.000 1.249 360 N CA 0.625 53.667 53.050 -0.013 0.000 0.974 360 N CB 1.121 39.596 38.487 -0.020 0.000 1.204 360 N HN 0.131 nan 8.380 nan 0.000 0.565 361 G N -0.111 108.680 108.800 -0.015 0.000 2.655 361 G HA2 -0.181 3.629 3.960 -0.251 0.000 0.680 361 G HA3 -0.181 3.629 3.960 -0.251 0.000 0.680 361 G C -0.831 174.055 174.900 -0.023 0.000 1.302 361 G CA -0.436 44.655 45.100 -0.015 0.000 0.872 361 G HN 0.527 nan 8.290 nan 0.000 0.540 362 D N 0.149 120.535 120.400 -0.023 0.000 2.349 362 D HA 0.171 4.660 4.640 -0.251 0.000 0.214 362 D C 1.246 177.522 176.300 -0.040 0.000 1.063 362 D CA 0.072 54.056 54.000 -0.027 0.000 0.847 362 D CB 0.218 41.007 40.800 -0.019 0.000 0.933 362 D HN 0.281 nan 8.370 nan 0.000 0.513 363 N N 0.514 119.185 118.700 -0.048 0.000 2.389 363 N HA 0.117 4.707 4.740 -0.251 0.000 0.260 363 N C -0.977 174.472 175.510 -0.101 0.000 1.191 363 N CA 0.105 53.111 53.050 -0.073 0.000 0.885 363 N CB 1.778 40.224 38.487 -0.067 0.000 1.162 363 N HN -0.039 nan 8.380 nan 0.000 0.512 364 V N 0.918 120.777 119.914 -0.091 0.000 2.656 364 V HA 0.521 4.490 4.120 -0.251 0.000 0.307 364 V C -0.136 175.890 176.094 -0.115 0.000 1.051 364 V CA -0.814 61.428 62.300 -0.098 0.000 0.893 364 V CB 2.748 34.537 31.823 -0.056 0.000 0.999 364 V HN 0.029 nan 8.190 nan 0.000 0.426 365 R N 3.837 124.261 120.500 -0.127 0.000 2.575 365 R HA 0.665 4.855 4.340 -0.251 0.000 0.293 365 R C -1.515 174.649 176.300 -0.227 0.000 0.983 365 R CA -0.605 55.392 56.100 -0.173 0.000 0.887 365 R CB 2.299 32.578 30.300 -0.034 0.000 1.184 365 R HN 0.623 nan 8.270 nan 0.000 0.445 366 L N 3.446 124.428 121.223 -0.401 0.000 2.329 366 L HA 0.536 4.726 4.340 -0.251 0.000 0.279 366 L C -0.858 175.687 176.870 -0.541 0.000 1.014 366 L CA -0.902 53.766 54.840 -0.287 0.000 0.814 366 L CB 1.157 43.123 42.059 -0.154 0.000 1.257 366 L HN 0.505 nan 8.230 nan 0.000 0.424 367 Y N 1.368 121.727 120.300 0.099 0.000 2.646 367 Y HA 0.324 4.724 4.550 -0.251 0.000 0.334 367 Y C -0.308 175.717 175.900 0.209 0.000 1.004 367 Y CA -0.738 57.450 58.100 0.146 0.000 1.301 367 Y CB 1.351 39.910 38.460 0.166 0.000 1.093 367 Y HN 0.457 nan 8.280 nan 0.000 0.530 368 C N 4.887 124.316 119.300 0.215 0.000 2.295 368 C HA 0.766 5.076 4.460 -0.251 0.000 0.331 368 C C 0.059 175.167 174.990 0.197 0.000 1.280 368 C CA -0.923 58.158 59.018 0.104 0.000 1.746 368 C CB -1.544 26.173 27.740 -0.038 0.000 2.328 368 C HN 0.752 nan 8.230 nan 0.000 0.521 369 F N 0.461 120.444 119.950 0.055 0.000 2.849 369 F HA 0.969 5.345 4.527 -0.251 0.000 0.341 369 F C 0.493 176.329 175.800 0.059 0.000 1.185 369 F CA -0.203 57.837 58.000 0.067 0.000 1.007 369 F CB 0.171 39.232 39.000 0.101 0.000 1.454 369 F HN 1.093 nan 8.300 nan 0.000 0.518 370 G N 0.520 109.454 108.800 0.224 0.000 2.698 370 G HA2 -0.276 3.534 3.960 -0.251 0.000 0.233 370 G HA3 -0.276 3.534 3.960 -0.251 0.000 0.233 370 G C 0.567 175.482 174.900 0.026 0.000 1.352 370 G CA 0.359 45.520 45.100 0.101 0.000 0.879 370 G HN 1.206 nan 8.290 nan 0.000 0.567 371 R N -0.424 120.090 120.500 0.023 0.000 2.094 371 R HA -0.129 4.060 4.340 -0.251 0.000 0.239 371 R C 1.359 177.669 176.300 0.016 0.000 1.137 371 R CA 2.316 58.431 56.100 0.025 0.000 0.943 371 R CB -0.351 29.970 30.300 0.034 0.000 0.850 371 R HN 0.559 nan 8.270 nan 0.000 0.433 372 D N -0.692 119.710 120.400 0.003 0.000 2.336 372 D HA 0.078 4.568 4.640 -0.251 0.000 0.228 372 D C 1.245 177.511 176.300 -0.056 0.000 1.120 372 D CA 0.442 54.456 54.000 0.023 0.000 0.839 372 D CB 0.428 41.310 40.800 0.137 0.000 0.932 372 D HN 0.479 nan 8.370 nan 0.000 0.509 373 G N 1.610 110.363 108.800 -0.079 0.000 2.529 373 G HA2 -0.354 3.455 3.960 -0.251 0.000 0.219 373 G HA3 -0.354 3.455 3.960 -0.251 0.000 0.219 373 G C 1.704 176.570 174.900 -0.056 0.000 1.177 373 G CA 1.245 46.293 45.100 -0.088 0.000 0.773 373 G HN 0.396 nan 8.290 nan 0.000 0.573 374 A N -0.018 122.794 122.820 -0.014 0.000 1.883 374 A HA -0.162 4.008 4.320 -0.251 0.000 0.217 374 A C 2.322 179.904 177.584 -0.003 0.000 1.186 374 A CA 2.177 54.213 52.037 -0.002 0.000 0.624 374 A CB -0.585 18.423 19.000 0.014 0.000 0.822 374 A HN 0.488 nan 8.150 nan 0.000 0.444 375 Q N -0.754 119.058 119.800 0.020 0.000 2.170 375 Q HA -0.079 4.110 4.340 -0.251 0.000 0.203 375 Q C 1.914 177.919 176.000 0.009 0.000 0.976 375 Q CA 1.174 57.022 55.803 0.075 0.000 0.858 375 Q CB -0.150 28.706 28.738 0.197 0.000 0.907 375 Q HN 0.726 nan 8.270 nan 0.000 0.433 376 L N -0.579 120.552 121.223 -0.154 0.000 2.209 376 L HA -0.009 4.181 4.340 -0.251 0.000 0.207 376 L C 2.434 179.211 176.870 -0.155 0.000 1.094 376 L CA 0.642 55.299 54.840 -0.305 0.000 0.790 376 L CB -0.397 41.388 42.059 -0.457 0.000 0.932 376 L HN 0.194 nan 8.230 nan 0.000 0.447 377 A N 0.325 123.088 122.820 -0.096 0.000 1.972 377 A HA -0.160 4.010 4.320 -0.251 0.000 0.219 377 A C 2.461 180.019 177.584 -0.044 0.000 1.169 377 A CA 1.553 53.552 52.037 -0.063 0.000 0.635 377 A CB -0.589 18.388 19.000 -0.038 0.000 0.810 377 A HN 0.378 nan 8.150 nan 0.000 0.446 378 A N -0.281 122.525 122.820 -0.024 0.000 2.125 378 A HA 0.009 4.179 4.320 -0.251 0.000 0.219 378 A C 1.974 179.557 177.584 -0.001 0.000 1.156 378 A CA 1.193 53.227 52.037 -0.004 0.000 0.671 378 A CB -0.615 18.396 19.000 0.019 0.000 0.794 378 A HN 0.509 nan 8.150 nan 0.000 0.459 379 L N -2.053 119.165 121.223 -0.009 0.000 2.187 379 L HA -0.066 4.124 4.340 -0.251 0.000 0.213 379 L C 1.571 178.434 176.870 -0.011 0.000 1.100 379 L CA 1.241 56.080 54.840 -0.001 0.000 0.765 379 L CB -0.111 41.941 42.059 -0.011 0.000 0.904 379 L HN 0.470 nan 8.230 nan 0.000 0.437 380 R N -1.391 119.094 120.500 -0.025 0.000 2.980 380 R HA 0.105 4.294 4.340 -0.251 0.000 0.211 380 R C -2.359 173.917 176.300 -0.039 0.000 1.542 380 R CA -0.671 55.412 56.100 -0.029 0.000 0.924 380 R CB 0.677 30.958 30.300 -0.031 0.000 1.492 380 R HN -0.208 nan 8.270 nan 0.000 0.436 381 P HA -0.183 nan 4.420 nan 0.000 0.220 381 P C 0.888 178.166 177.300 -0.037 0.000 1.148 381 P CA 0.954 64.034 63.100 -0.032 0.000 0.803 381 P CB 0.256 31.944 31.700 -0.020 0.000 0.782 382 E N 0.132 120.312 120.200 -0.033 0.000 2.268 382 E HA -0.089 4.111 4.350 -0.251 0.000 0.195 382 E C 1.322 177.895 176.600 -0.045 0.000 0.995 382 E CA 1.504 57.885 56.400 -0.032 0.000 0.836 382 E CB -0.677 29.008 29.700 -0.025 0.000 0.763 382 E HN 0.274 nan 8.360 nan 0.000 0.491 383 V N -2.449 117.428 119.914 -0.062 0.000 3.276 383 V HA 0.635 4.605 4.120 -0.251 0.000 0.319 383 V C 0.478 176.484 176.094 -0.148 0.000 1.427 383 V CA -0.204 62.042 62.300 -0.090 0.000 1.102 383 V CB 0.232 32.005 31.823 -0.084 0.000 1.020 383 V HN 0.298 nan 8.190 nan 0.000 0.456 384 A N 0.324 123.067 122.820 -0.128 0.000 2.337 384 A HA 0.859 5.028 4.320 -0.251 0.000 0.329 384 A C -0.284 177.219 177.584 -0.136 0.000 1.146 384 A CA -0.565 51.373 52.037 -0.164 0.000 0.800 384 A CB 1.303 20.238 19.000 -0.109 0.000 1.220 384 A HN 0.396 nan 8.150 nan 0.000 0.472 385 E N 0.684 120.783 120.200 -0.169 0.000 2.244 385 E HA 0.401 4.600 4.350 -0.251 0.000 0.266 385 E C -1.157 175.459 176.600 0.027 0.000 0.914 385 E CA -0.515 55.858 56.400 -0.046 0.000 0.794 385 E CB 2.317 32.019 29.700 0.004 0.000 1.210 385 E HN 0.677 nan 8.360 nan 0.000 0.414 386 Q N 1.571 121.408 119.800 0.063 0.000 2.292 386 Q HA 0.346 4.536 4.340 -0.251 0.000 0.270 386 Q C -1.055 175.013 176.000 0.114 0.000 1.024 386 Q CA -0.357 55.499 55.803 0.088 0.000 0.768 386 Q CB 1.509 30.276 28.738 0.048 0.000 1.250 386 Q HN 0.716 nan 8.270 nan 0.000 0.447 387 T N -0.822 113.831 114.554 0.165 0.000 2.841 387 T HA 0.339 4.539 4.350 -0.251 0.000 0.276 387 T C 0.656 175.455 174.700 0.164 0.000 1.003 387 T CA -0.614 61.574 62.100 0.146 0.000 0.995 387 T CB 1.540 70.495 68.868 0.145 0.000 1.260 387 T HN 0.658 nan 8.240 nan 0.000 0.581 388 E N 0.260 120.536 120.200 0.126 0.000 2.060 388 E HA 0.045 4.244 4.350 -0.251 0.000 0.189 388 E C 0.776 177.485 176.600 0.182 0.000 0.974 388 E CA 0.933 57.407 56.400 0.123 0.000 0.808 388 E CB 0.065 29.805 29.700 0.067 0.000 0.768 388 E HN 0.842 nan 8.360 nan 0.000 0.453 389 T N -2.658 111.967 114.554 0.117 0.000 2.949 389 T HA 0.252 4.452 4.350 -0.251 0.000 0.287 389 T C 1.002 175.594 174.700 -0.180 0.000 1.034 389 T CA -0.754 61.377 62.100 0.051 0.000 1.018 389 T CB 1.435 70.283 68.868 -0.032 0.000 1.135 389 T HN 0.070 nan 8.240 nan 0.000 0.532 390 M N 0.054 119.308 119.600 -0.576 0.000 2.200 390 M HA 0.016 4.346 4.480 -0.251 0.000 0.265 390 M C 2.250 178.347 176.300 -0.338 0.000 1.066 390 M CA 1.768 56.452 55.300 -1.026 0.000 1.127 390 M CB -0.397 31.588 32.600 -1.023 0.000 1.379 390 M HN 0.972 nan 8.290 nan 0.000 0.420 391 E N 0.152 120.258 120.200 -0.156 0.000 2.110 391 E HA -0.266 3.934 4.350 -0.251 0.000 0.193 391 E C 1.794 178.353 176.600 -0.068 0.000 0.988 391 E CA 1.678 58.030 56.400 -0.079 0.000 0.804 391 E CB -0.080 29.594 29.700 -0.044 0.000 0.745 391 E HN 0.670 nan 8.360 nan 0.000 0.458 392 Q N 0.060 119.825 119.800 -0.057 0.000 2.079 392 Q HA -0.110 4.079 4.340 -0.251 0.000 0.200 392 Q C 2.312 178.312 176.000 0.000 0.000 0.974 392 Q CA 1.314 57.108 55.803 -0.015 0.000 0.840 392 Q CB -0.179 28.567 28.738 0.013 0.000 0.898 392 Q HN 0.395 nan 8.270 nan 0.000 0.430 393 A N 0.881 123.697 122.820 -0.007 0.000 1.908 393 A HA -0.207 3.963 4.320 -0.251 0.000 0.218 393 A C 2.064 179.617 177.584 -0.053 0.000 1.181 393 A CA 1.546 53.616 52.037 0.055 0.000 0.627 393 A CB -0.476 18.575 19.000 0.084 0.000 0.818 393 A HN 0.294 nan 8.150 nan 0.000 0.445 394 M N -1.482 118.075 119.600 -0.072 0.000 2.156 394 M HA -0.072 4.257 4.480 -0.251 0.000 0.264 394 M C 2.315 178.573 176.300 -0.072 0.000 1.067 394 M CA 1.221 56.478 55.300 -0.072 0.000 1.131 394 M CB -0.245 32.342 32.600 -0.021 0.000 1.368 394 M HN 0.319 nan 8.290 nan 0.000 0.416 395 R N 0.112 120.579 120.500 -0.054 0.000 2.189 395 R HA -0.112 4.078 4.340 -0.251 0.000 0.223 395 R C 2.037 178.317 176.300 -0.033 0.000 1.092 395 R CA 0.827 56.901 56.100 -0.043 0.000 0.989 395 R CB -0.366 29.913 30.300 -0.035 0.000 0.876 395 R HN 0.256 nan 8.270 nan 0.000 0.457 396 L N 1.041 122.247 121.223 -0.028 0.000 2.131 396 L HA -0.067 4.123 4.340 -0.251 0.000 0.206 396 L C 1.852 178.704 176.870 -0.030 0.000 1.087 396 L CA 1.456 56.304 54.840 0.014 0.000 0.767 396 L CB -0.125 41.991 42.059 0.095 0.000 0.917 396 L HN 0.132 nan 8.230 nan 0.000 0.441 397 L N -2.531 118.555 121.223 -0.228 0.000 2.354 397 L HA 0.430 4.620 4.340 -0.251 0.000 0.212 397 L C 2.413 179.093 176.870 -0.317 0.000 1.091 397 L CA 1.314 55.894 54.840 -0.433 0.000 0.828 397 L CB -1.575 39.774 42.059 -1.184 0.000 0.973 397 L HN 0.017 nan 8.230 nan 0.000 0.461 398 A N 1.238 123.964 122.820 -0.156 0.000 1.873 398 A HA -0.097 4.072 4.320 -0.251 0.000 0.218 398 A C 0.484 178.043 177.584 -0.042 0.000 1.193 398 A CA 2.264 54.290 52.037 -0.018 0.000 0.629 398 A CB -2.126 16.912 19.000 0.064 0.000 0.826 398 A HN 0.477 nan 8.150 nan 0.000 0.447 399 P HA -0.140 nan 4.420 nan 0.000 0.218 399 P C 1.038 178.328 177.300 -0.017 0.000 1.148 399 P CA 1.264 64.356 63.100 -0.013 0.000 0.822 399 P CB -0.105 31.594 31.700 -0.001 0.000 0.784 400 R N -1.255 119.217 120.500 -0.047 0.000 2.310 400 R HA 0.132 4.321 4.340 -0.251 0.000 0.202 400 R C 0.053 176.328 176.300 -0.042 0.000 0.933 400 R CA -0.074 56.025 56.100 -0.002 0.000 1.054 400 R CB -0.093 30.259 30.300 0.086 0.000 0.985 400 R HN 0.060 nan 8.270 nan 0.000 0.489 401 V N 2.585 122.401 119.914 -0.165 0.000 2.470 401 V HA 0.040 4.009 4.120 -0.251 0.000 0.276 401 V C 0.213 176.302 176.094 -0.009 0.000 1.040 401 V CA 0.122 62.322 62.300 -0.166 0.000 1.008 401 V CB 1.109 32.766 31.823 -0.277 0.000 0.990 401 V HN 0.158 nan 8.190 nan 0.000 0.477 402 Q N 5.445 125.274 119.800 0.048 0.000 2.297 402 Q HA 0.485 4.675 4.340 -0.251 0.000 0.269 402 Q C -2.578 173.434 176.000 0.020 0.000 1.051 402 Q CA -2.493 53.332 55.803 0.036 0.000 0.869 402 Q CB 1.552 30.317 28.738 0.046 0.000 1.346 402 Q HN 0.371 nan 8.270 nan 0.000 0.457 403 P HA 0.100 nan 4.420 nan 0.000 0.267 403 P C 0.479 177.780 177.300 0.001 0.000 1.205 403 P CA 1.032 64.134 63.100 0.003 0.000 0.765 403 P CB 0.355 32.055 31.700 -0.001 0.000 0.828 404 G N 1.776 110.573 108.800 -0.005 0.000 2.213 404 G HA2 -0.157 3.652 3.960 -0.251 0.000 0.226 404 G HA3 -0.157 3.652 3.960 -0.251 0.000 0.226 404 G C 0.013 174.893 174.900 -0.034 0.000 0.992 404 G CA -0.362 44.730 45.100 -0.012 0.000 0.632 404 G HN 0.480 nan 8.290 nan 0.000 0.511 405 D N 0.146 120.528 120.400 -0.029 0.000 2.387 405 D HA 0.623 5.112 4.640 -0.251 0.000 0.251 405 D C 0.514 176.762 176.300 -0.086 0.000 1.141 405 D CA 0.004 53.982 54.000 -0.037 0.000 0.987 405 D CB 1.163 42.001 40.800 0.064 0.000 1.116 405 D HN 0.348 nan 8.370 nan 0.000 0.491 406 M N 0.799 120.348 119.600 -0.086 0.000 2.327 406 M HA 0.353 4.682 4.480 -0.251 0.000 0.298 406 M C -1.945 174.275 176.300 -0.133 0.000 1.065 406 M CA -0.749 54.472 55.300 -0.131 0.000 0.916 406 M CB 1.729 34.283 32.600 -0.076 0.000 1.630 406 M HN -0.024 nan 8.290 nan 0.000 0.442 407 V N 5.724 125.457 119.914 -0.302 0.000 2.347 407 V HA 0.450 4.420 4.120 -0.251 0.000 0.280 407 V C -0.879 175.214 176.094 -0.002 0.000 1.021 407 V CA -0.704 61.466 62.300 -0.217 0.000 0.847 407 V CB 1.184 32.610 31.823 -0.661 0.000 0.990 407 V HN 0.735 nan 8.190 nan 0.000 0.444 408 L N 6.782 128.018 121.223 0.022 0.000 2.316 408 L HA 0.618 4.807 4.340 -0.251 0.000 0.280 408 L C -0.750 176.065 176.870 -0.093 0.000 1.006 408 L CA -0.476 54.334 54.840 -0.049 0.000 0.836 408 L CB 1.476 43.524 42.059 -0.019 0.000 1.221 408 L HN 0.637 nan 8.230 nan 0.000 0.418 409 L N 4.705 125.712 121.223 -0.359 0.000 2.302 409 L HA 0.573 4.763 4.340 -0.251 0.000 0.285 409 L C -0.155 176.578 176.870 -0.229 0.000 1.090 409 L CA 0.688 55.286 54.840 -0.404 0.000 0.866 409 L CB 0.778 42.208 42.059 -1.049 0.000 1.244 409 L HN 0.719 nan 8.230 nan 0.000 0.435 410 S N 6.375 122.025 115.700 -0.082 0.000 2.440 410 S HA 0.428 4.747 4.470 -0.251 0.000 0.142 410 S C -1.863 172.718 174.600 -0.032 0.000 1.578 410 S CA -0.711 57.465 58.200 -0.041 0.000 1.260 410 S CB 0.519 63.718 63.200 -0.002 0.000 1.407 410 S HN 0.600 nan 8.310 nan 0.000 0.392 411 P HA 0.045 nan 4.420 nan 0.000 0.225 411 P C 0.861 178.103 177.300 -0.097 0.000 1.148 411 P CA 1.326 64.386 63.100 -0.067 0.000 0.779 411 P CB -0.156 31.520 31.700 -0.039 0.000 0.780 412 A N -2.657 120.136 122.820 -0.044 0.000 2.945 412 A HA -0.206 3.964 4.320 -0.251 0.000 0.263 412 A C 0.488 178.110 177.584 0.063 0.000 1.293 412 A CA 1.172 53.214 52.037 0.007 0.000 0.944 412 A CB -2.613 16.402 19.000 0.024 0.000 1.093 412 A HN 0.424 nan 8.150 nan 0.000 0.786 413 C N -1.770 117.541 119.300 0.017 0.000 3.171 413 C HA 0.846 5.155 4.460 -0.251 0.000 0.308 413 C C 0.964 175.980 174.990 0.043 0.000 1.334 413 C CA -0.612 58.436 59.018 0.049 0.000 1.473 413 C CB 1.443 29.200 27.740 0.029 0.000 1.866 413 C HN 1.702 nan 8.230 nan 0.000 0.465 414 A N 0.946 123.806 122.820 0.066 0.000 2.366 414 A HA 0.506 4.676 4.320 -0.251 0.000 0.249 414 A C 1.017 178.688 177.584 0.145 0.000 1.084 414 A CA 0.518 52.618 52.037 0.106 0.000 0.794 414 A CB 0.109 19.180 19.000 0.118 0.000 1.034 414 A HN 1.471 nan 8.150 nan 0.000 0.491 415 S N 0.289 116.109 115.700 0.200 0.000 2.539 415 S HA 0.098 4.417 4.470 -0.251 0.000 0.221 415 S C 1.225 176.023 174.600 0.330 0.000 0.987 415 S CA 0.087 58.480 58.200 0.323 0.000 0.929 415 S CB -0.417 62.955 63.200 0.287 0.000 0.832 415 S HN 0.570 nan 8.310 nan 0.000 0.492 416 L N 2.575 123.928 121.223 0.217 0.000 2.351 416 L HA -0.142 4.048 4.340 -0.251 0.000 0.220 416 L C 2.442 179.390 176.870 0.130 0.000 1.127 416 L CA 1.633 56.574 54.840 0.167 0.000 0.786 416 L CB -0.918 41.222 42.059 0.135 0.000 0.914 416 L HN 0.506 nan 8.230 nan 0.000 0.443 417 D N -0.224 120.253 120.400 0.128 0.000 2.224 417 D HA -0.208 4.282 4.640 -0.251 0.000 0.205 417 D C 1.555 177.871 176.300 0.027 0.000 0.965 417 D CA 1.083 55.128 54.000 0.075 0.000 0.852 417 D CB 0.051 40.894 40.800 0.072 0.000 0.947 417 D HN 0.482 nan 8.370 nan 0.000 0.494 418 Q N -1.689 118.114 119.800 0.005 0.000 2.089 418 Q HA 0.246 4.435 4.340 -0.251 0.000 0.227 418 Q C -0.646 175.067 176.000 -0.479 0.000 0.774 418 Q CA -0.200 55.451 55.803 -0.253 0.000 0.960 418 Q CB 1.261 29.770 28.738 -0.383 0.000 1.179 418 Q HN 0.104 nan 8.270 nan 0.000 0.460 419 F N -0.411 119.582 119.950 0.071 0.000 2.629 419 F HA 0.393 4.769 4.527 -0.251 0.000 0.316 419 F C 0.960 176.780 175.800 0.034 0.000 1.081 419 F CA -1.076 56.955 58.000 0.050 0.000 0.954 419 F CB 1.132 40.168 39.000 0.061 0.000 1.337 419 F HN -0.383 nan 8.300 nan 0.000 0.474 420 K N 0.781 121.319 120.400 0.230 0.000 2.062 420 K HA 0.013 4.183 4.320 -0.251 0.000 0.205 420 K C -0.160 176.493 176.600 0.090 0.000 1.051 420 K CA 1.123 57.477 56.287 0.113 0.000 0.941 420 K CB -0.553 31.984 32.500 0.061 0.000 0.719 420 K HN 0.824 nan 8.250 nan 0.000 0.440 421 N N -1.829 116.906 118.700 0.058 0.000 3.227 421 N HA 0.014 4.603 4.740 -0.251 0.000 0.241 421 N C 0.506 175.935 175.510 -0.135 0.000 1.480 421 N CA -0.696 52.339 53.050 -0.026 0.000 0.886 421 N CB -0.242 38.156 38.487 -0.148 0.000 1.406 421 N HN -0.081 nan 8.380 nan 0.000 0.514 422 F N -0.933 118.960 119.950 -0.095 0.000 2.333 422 F HA 0.222 4.598 4.527 -0.251 0.000 0.300 422 F C 1.361 176.936 175.800 -0.375 0.000 1.083 422 F CA 0.923 58.808 58.000 -0.191 0.000 1.395 422 F CB -0.401 38.527 39.000 -0.121 0.000 1.056 422 F HN 0.552 nan 8.300 nan 0.000 0.529 423 E N 0.542 119.948 120.200 -1.324 0.000 2.072 423 E HA -0.214 3.986 4.350 -0.251 0.000 0.191 423 E C 2.271 178.512 176.600 -0.599 0.000 0.985 423 E CA 1.305 56.955 56.400 -1.250 0.000 0.801 423 E CB -0.367 28.776 29.700 -0.928 0.000 0.750 423 E HN 0.672 nan 8.360 nan 0.000 0.452 424 Q N 0.800 120.377 119.800 -0.371 0.000 2.050 424 Q HA -0.231 3.959 4.340 -0.251 0.000 0.202 424 Q C 2.309 178.167 176.000 -0.237 0.000 0.980 424 Q CA 1.551 57.256 55.803 -0.163 0.000 0.840 424 Q CB -0.018 28.719 28.738 -0.001 0.000 0.898 424 Q HN 0.098 nan 8.270 nan 0.000 0.424 425 R N -0.590 119.569 120.500 -0.570 0.000 2.081 425 R HA -0.128 4.061 4.340 -0.251 0.000 0.235 425 R C 2.169 178.301 176.300 -0.280 0.000 1.131 425 R CA 1.594 57.137 56.100 -0.929 0.000 0.960 425 R CB -0.577 28.996 30.300 -1.211 0.000 0.856 425 R HN 0.399 nan 8.270 nan 0.000 0.436 426 G N 0.619 109.335 108.800 -0.140 0.000 2.402 426 G HA2 -0.250 3.559 3.960 -0.251 0.000 0.216 426 G HA3 -0.250 3.559 3.960 -0.251 0.000 0.216 426 G C 1.134 176.216 174.900 0.304 0.000 1.162 426 G CA 0.649 45.872 45.100 0.205 0.000 0.777 426 G HN 0.331 nan 8.290 nan 0.000 0.539 427 N N 0.586 119.424 118.700 0.229 0.000 2.188 427 N HA -0.087 4.503 4.740 -0.251 0.000 0.184 427 N C 2.045 177.613 175.510 0.096 0.000 1.018 427 N CA 1.247 54.399 53.050 0.170 0.000 0.858 427 N CB -0.305 38.253 38.487 0.119 0.000 0.989 427 N HN 0.630 nan 8.380 nan 0.000 0.426 428 E N -0.007 120.241 120.200 0.081 0.000 2.150 428 E HA -0.153 4.047 4.350 -0.251 0.000 0.193 428 E C 1.738 178.383 176.600 0.074 0.000 0.985 428 E CA 0.523 56.971 56.400 0.080 0.000 0.814 428 E CB -0.161 29.628 29.700 0.148 0.000 0.752 428 E HN 0.296 nan 8.360 nan 0.000 0.466 429 F N 0.942 120.880 119.950 -0.020 0.000 2.186 429 F HA -0.034 4.343 4.527 -0.251 0.000 0.299 429 F C 2.005 177.788 175.800 -0.028 0.000 1.090 429 F CA 1.465 59.458 58.000 -0.012 0.000 1.307 429 F CB -0.375 38.636 39.000 0.018 0.000 1.019 429 F HN 0.101 nan 8.300 nan 0.000 0.489 430 A N 0.737 123.563 122.820 0.010 0.000 1.898 430 A HA -0.165 4.005 4.320 -0.251 0.000 0.216 430 A C 2.384 179.827 177.584 -0.235 0.000 1.181 430 A CA 1.581 53.546 52.037 -0.120 0.000 0.620 430 A CB -0.837 18.169 19.000 0.011 0.000 0.819 430 A HN 0.481 nan 8.150 nan 0.000 0.442 431 R N -0.251 120.152 120.500 -0.161 0.000 2.066 431 R HA -0.049 4.141 4.340 -0.251 0.000 0.232 431 R C 1.948 178.097 176.300 -0.253 0.000 1.131 431 R CA 1.551 57.549 56.100 -0.170 0.000 0.955 431 R CB -0.434 29.809 30.300 -0.096 0.000 0.851 431 R HN 0.491 nan 8.270 nan 0.000 0.432 432 L N 0.409 121.466 121.223 -0.275 0.000 2.083 432 L HA -0.137 4.053 4.340 -0.251 0.000 0.209 432 L C 2.742 179.292 176.870 -0.534 0.000 1.083 432 L CA 1.351 55.995 54.840 -0.327 0.000 0.752 432 L CB -0.534 41.369 42.059 -0.260 0.000 0.899 432 L HN 0.348 nan 8.230 nan 0.000 0.433 433 A N 0.097 122.459 122.820 -0.764 0.000 1.898 433 A HA -0.201 3.969 4.320 -0.251 0.000 0.216 433 A C 2.324 179.274 177.584 -1.056 0.000 1.181 433 A CA 1.597 52.897 52.037 -1.230 0.000 0.620 433 A CB -0.300 18.006 19.000 -1.157 0.000 0.819 433 A HN 0.295 nan 8.150 nan 0.000 0.442 434 K N -0.442 119.576 120.400 -0.638 0.000 2.097 434 K HA -0.155 4.015 4.320 -0.251 0.000 0.206 434 K C 2.125 178.486 176.600 -0.399 0.000 1.049 434 K CA 1.466 57.475 56.287 -0.463 0.000 0.933 434 K CB -0.107 32.208 32.500 -0.309 0.000 0.717 434 K HN 0.694 nan 8.250 nan 0.000 0.442 435 E N 0.941 120.923 120.200 -0.363 0.000 2.031 435 E HA -0.179 4.021 4.350 -0.251 0.000 0.193 435 E C 1.739 178.175 176.600 -0.274 0.000 0.994 435 E CA 1.122 57.361 56.400 -0.268 0.000 0.800 435 E CB 0.070 29.637 29.700 -0.221 0.000 0.752 435 E HN 0.219 nan 8.360 nan 0.000 0.447 436 L N -0.551 120.449 121.223 -0.371 0.000 2.418 436 L HA 0.146 4.336 4.340 -0.251 0.000 0.218 436 L C 2.277 178.974 176.870 -0.288 0.000 1.125 436 L CA 0.536 55.203 54.840 -0.288 0.000 0.835 436 L CB 0.022 41.933 42.059 -0.247 0.000 0.953 436 L HN 0.166 nan 8.230 nan 0.000 0.454 437 G N -0.926 107.546 108.800 -0.545 0.000 2.920 437 G HA2 0.086 3.895 3.960 -0.251 0.000 0.208 437 G HA3 0.086 3.895 3.960 -0.251 0.000 0.208 437 G C 0.419 175.297 174.900 -0.037 0.000 1.159 437 G CA 0.118 45.005 45.100 -0.356 0.000 0.784 437 G HN 0.267 nan 8.290 nan 0.000 0.535 438 S N -2.229 113.424 115.700 -0.080 0.000 2.661 438 S HA 0.847 5.166 4.470 -0.251 0.000 0.285 438 S C -0.404 174.193 174.600 -0.006 0.000 1.138 438 S CA 0.250 58.458 58.200 0.013 0.000 0.855 438 S CB 1.749 64.895 63.200 -0.089 0.000 1.136 438 S HN 0.994 nan 8.310 nan 0.000 0.484 439 H N 0.000 119.085 119.070 0.025 0.000 2.539 439 H HA 0.000 4.406 4.556 -0.251 0.000 0.296 439 H CA 0.000 nan 56.048 nan 0.000 1.023 439 H CB 0.000 nan 29.762 nan 0.000 1.292 439 H HN 0.000 nan 8.280 nan 0.000 0.496