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 3o08_1_A DATA FIRST_RESID 15 DATA SEQUENCE SMADVPANLM EQIHGLETLF TVSSEKMRSI VKHFISELDK GLSKKGGNIP DATA SEQUENCE MIPGWVVEYP TGKETGDFLA LDLGGTNLRV VLVKLGGNHD FDTTQNKYRL DATA SEQUENCE PDHLRTGTSE QLWSFIAKCL KEFVDEWYPD GVSEPLPLGF TFSYPASQKK DATA SEQUENCE INSGVLQRWT KGFDIEGVEG HDVVPMLQEQ IEKLNIPINV VALINDTTGT DATA SEQUENCE LVASLYTDPQ TKMGIIIGTG VNGAYYDVVS GIEKLEGLLP EDIGPDSPMA DATA SEQUENCE INCEYGSFDN EHLVLPRTKY DVIIDEESPR PGQQAFEKMT SGYYLGEIMR DATA SEQUENCE LVLLDLYDSG FIFKDQDISK LKEAYVMDTS YPSKIEDDPF ENLEDTDDLF DATA SEQUENCE KTNLNIETTV VERKLIRKLA ELVGTRAARL TVCGVSAICD KRGYKTAHIA DATA SEQUENCE ADGSVFNRYP GYKEKAAQAL KDIYNWDVEK MEDHPIQLVA AEDGSGVGAA DATA SEQUENCE IIACLTQKRL AAGKSVGIKG E 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 15 S HA 0.000 nan 4.470 nan 0.000 0.327 15 S C 0.000 174.602 174.600 0.004 0.000 1.055 15 S CA 0.000 58.205 58.200 0.008 0.000 1.107 15 S CB 0.000 63.205 63.200 0.008 0.000 0.593 16 M N 1.289 120.893 119.600 0.005 0.000 2.347 16 M HA 0.499 4.979 4.480 0.000 0.000 0.324 16 M C 1.708 178.009 176.300 0.001 0.000 1.028 16 M CA 0.686 55.984 55.300 -0.002 0.000 0.988 16 M CB 0.388 32.987 32.600 -0.002 0.000 1.528 16 M HN 0.522 nan 8.290 nan 0.000 0.550 17 A N 1.147 123.971 122.820 0.006 0.000 2.066 17 A HA -0.115 4.205 4.320 0.000 0.000 0.218 17 A C 1.430 179.017 177.584 0.006 0.000 1.157 17 A CA 1.758 53.801 52.037 0.009 0.000 0.670 17 A CB -0.413 18.593 19.000 0.011 0.000 0.804 17 A HN 0.539 nan 8.150 nan 0.000 0.453 18 D N -0.705 119.696 120.400 0.003 0.000 2.349 18 D HA 0.110 4.750 4.640 0.000 0.000 0.214 18 D C 0.114 176.412 176.300 -0.003 0.000 1.063 18 D CA -0.098 53.903 54.000 0.002 0.000 0.847 18 D CB -0.651 40.151 40.800 0.003 0.000 0.933 18 D HN 0.102 nan 8.370 nan 0.000 0.513 19 V N 2.295 122.202 119.914 -0.010 0.000 2.521 19 V HA 0.191 4.311 4.120 0.000 0.000 0.286 19 V C -1.855 174.229 176.094 -0.016 0.000 1.034 19 V CA -1.184 61.103 62.300 -0.021 0.000 1.045 19 V CB 0.477 32.275 31.823 -0.042 0.000 0.974 19 V HN 0.056 nan 8.190 nan 0.000 0.480 20 P HA 0.156 nan 4.420 nan 0.000 0.269 20 P C 0.673 177.971 177.300 -0.003 0.000 1.215 20 P CA -0.090 63.011 63.100 0.002 0.000 0.780 20 P CB 0.738 32.445 31.700 0.013 0.000 0.898 21 A N 3.150 125.976 122.820 0.010 0.000 1.978 21 A HA -0.234 4.086 4.320 0.000 0.000 0.220 21 A C 1.908 179.498 177.584 0.010 0.000 1.170 21 A CA 1.954 53.999 52.037 0.013 0.000 0.636 21 A CB -1.234 17.782 19.000 0.028 0.000 0.810 21 A HN 0.746 nan 8.150 nan 0.000 0.448 22 N N 0.509 119.231 118.700 0.037 0.000 2.270 22 N HA -0.094 4.646 4.740 0.000 0.000 0.181 22 N C 1.555 177.076 175.510 0.018 0.000 1.016 22 N CA 1.614 54.713 53.050 0.081 0.000 0.870 22 N CB -0.666 37.917 38.487 0.161 0.000 0.979 22 N HN 0.499 nan 8.380 nan 0.000 0.431 23 L N -0.658 120.558 121.223 -0.010 0.000 2.109 23 L HA 0.008 4.348 4.340 0.000 0.000 0.207 23 L C 2.447 179.208 176.870 -0.182 0.000 1.086 23 L CA 0.644 55.421 54.840 -0.106 0.000 0.760 23 L CB -0.307 41.711 42.059 -0.068 0.000 0.910 23 L HN 0.111 nan 8.230 nan 0.000 0.437 24 M N 0.351 119.857 119.600 -0.157 0.000 2.080 24 M HA -0.244 4.236 4.480 0.000 0.000 0.260 24 M C 2.055 178.127 176.300 -0.379 0.000 1.068 24 M CA 1.725 56.864 55.300 -0.267 0.000 1.109 24 M CB -0.444 32.071 32.600 -0.142 0.000 1.342 24 M HN 0.034 nan 8.290 nan 0.000 0.405 25 E N -0.509 119.593 120.200 -0.162 0.000 2.085 25 E HA -0.204 4.146 4.350 0.000 0.000 0.194 25 E C 1.981 178.489 176.600 -0.153 0.000 0.994 25 E CA 1.451 57.806 56.400 -0.075 0.000 0.801 25 E CB -0.086 29.597 29.700 -0.028 0.000 0.743 25 E HN 0.462 nan 8.360 nan 0.000 0.453 26 Q N -0.372 119.263 119.800 -0.273 0.000 2.172 26 Q HA -0.017 4.323 4.340 0.000 0.000 0.200 26 Q C 2.420 178.286 176.000 -0.222 0.000 0.964 26 Q CA 0.775 56.378 55.803 -0.334 0.000 0.855 26 Q CB -0.097 28.284 28.738 -0.595 0.000 0.918 26 Q HN 0.430 nan 8.270 nan 0.000 0.444 27 I N 0.494 120.913 120.570 -0.252 0.000 2.226 27 I HA -0.278 3.892 4.170 0.000 0.000 0.245 27 I C 2.142 178.181 176.117 -0.131 0.000 1.100 27 I CA 1.020 62.191 61.300 -0.216 0.000 1.374 27 I CB -0.278 37.550 38.000 -0.287 0.000 1.057 27 I HN 0.240 nan 8.210 nan 0.000 0.413 28 H N 0.363 119.411 119.070 -0.037 0.000 2.387 28 H HA -0.071 4.485 4.556 0.000 0.000 0.299 28 H C 2.329 177.654 175.328 -0.005 0.000 1.090 28 H CA 1.387 57.425 56.048 -0.016 0.000 1.332 28 H CB -0.895 28.855 29.762 -0.019 0.000 1.386 28 H HN 0.355 nan 8.280 nan 0.000 0.516 29 G N 1.133 109.979 108.800 0.076 0.000 2.459 29 G HA2 -0.202 3.758 3.960 0.000 0.000 0.217 29 G HA3 -0.202 3.758 3.960 0.000 0.000 0.217 29 G C 1.942 176.891 174.900 0.081 0.000 1.183 29 G CA 0.768 45.897 45.100 0.048 0.000 0.776 29 G HN 0.294 nan 8.290 nan 0.000 0.552 30 L N 0.149 121.428 121.223 0.092 0.000 2.043 30 L HA -0.130 4.211 4.340 0.000 0.000 0.212 30 L C 2.909 179.933 176.870 0.257 0.000 1.075 30 L CA 1.492 56.463 54.840 0.218 0.000 0.752 30 L CB -0.486 41.643 42.059 0.117 0.000 0.891 30 L HN 0.316 nan 8.230 nan 0.000 0.432 31 E N -0.562 119.730 120.200 0.154 0.000 2.077 31 E HA -0.189 4.161 4.350 0.000 0.000 0.193 31 E C 2.118 178.794 176.600 0.127 0.000 0.989 31 E CA 1.707 58.196 56.400 0.148 0.000 0.800 31 E CB -0.118 29.661 29.700 0.132 0.000 0.746 31 E HN 0.457 nan 8.360 nan 0.000 0.452 32 T N 1.662 116.273 114.554 0.095 0.000 2.607 32 T HA -0.177 4.173 4.350 0.000 0.000 0.267 32 T C 1.944 176.655 174.700 0.020 0.000 1.049 32 T CA 1.016 63.145 62.100 0.048 0.000 1.162 32 T CB -0.305 68.582 68.868 0.030 0.000 0.863 32 T HN 0.102 nan 8.240 nan 0.000 0.424 33 L N -0.763 120.463 121.223 0.005 0.000 2.079 33 L HA -0.069 4.271 4.340 0.000 0.000 0.210 33 L C 1.972 178.679 176.870 -0.272 0.000 1.081 33 L CA 1.496 56.239 54.840 -0.161 0.000 0.752 33 L CB -0.316 41.592 42.059 -0.252 0.000 0.896 33 L HN 0.278 nan 8.230 nan 0.000 0.433 34 F N -1.663 118.311 119.950 0.040 0.000 2.720 34 F HA 0.094 4.621 4.527 0.000 0.000 0.301 34 F C 1.226 177.045 175.800 0.032 0.000 1.103 34 F CA -0.194 57.829 58.000 0.038 0.000 1.291 34 F CB 0.078 39.097 39.000 0.031 0.000 1.086 34 F HN -0.207 nan 8.300 nan 0.000 0.592 35 T N 1.879 116.527 114.554 0.157 0.000 2.884 35 T HA 0.387 4.737 4.350 0.000 0.000 0.298 35 T C -0.104 174.636 174.700 0.066 0.000 0.998 35 T CA -0.115 62.047 62.100 0.104 0.000 1.124 35 T CB 1.580 70.493 68.868 0.075 0.000 0.931 35 T HN -0.302 nan 8.240 nan 0.000 0.531 36 V N 4.037 123.987 119.914 0.060 0.000 2.357 36 V HA 0.375 4.495 4.120 0.000 0.000 0.284 36 V C 0.626 176.734 176.094 0.023 0.000 1.018 36 V CA -0.965 61.361 62.300 0.043 0.000 0.841 36 V CB 1.316 33.174 31.823 0.059 0.000 0.991 36 V HN 1.100 nan 8.190 nan 0.000 0.437 37 S N 3.637 119.342 115.700 0.009 0.000 2.600 37 S HA 0.162 4.632 4.470 0.000 0.000 0.265 37 S C 1.343 175.930 174.600 -0.022 0.000 1.325 37 S CA 0.107 58.303 58.200 -0.006 0.000 1.002 37 S CB 1.218 64.411 63.200 -0.011 0.000 0.921 37 S HN 0.612 nan 8.310 nan 0.000 0.554 38 S N 0.868 116.544 115.700 -0.040 0.000 2.400 38 S HA -0.127 4.343 4.470 0.000 0.000 0.232 38 S C 1.710 176.265 174.600 -0.076 0.000 1.025 38 S CA 1.537 59.694 58.200 -0.071 0.000 0.993 38 S CB -0.501 62.647 63.200 -0.087 0.000 0.808 38 S HN 0.821 nan 8.310 nan 0.000 0.478 39 E N 0.490 120.657 120.200 -0.055 0.000 2.158 39 E HA -0.098 4.252 4.350 0.000 0.000 0.191 39 E C 2.051 178.627 176.600 -0.040 0.000 0.982 39 E CA 0.744 57.112 56.400 -0.054 0.000 0.823 39 E CB -0.013 29.662 29.700 -0.042 0.000 0.766 39 E HN 0.237 nan 8.360 nan 0.000 0.468 40 K N 1.105 121.490 120.400 -0.025 0.000 2.057 40 K HA -0.078 4.242 4.320 0.000 0.000 0.206 40 K C 1.932 178.534 176.600 0.005 0.000 1.050 40 K CA 1.259 57.542 56.287 -0.006 0.000 0.935 40 K CB -0.089 32.414 32.500 0.004 0.000 0.715 40 K HN 0.011 nan 8.250 nan 0.000 0.439 41 M N 0.112 119.708 119.600 -0.008 0.000 2.080 41 M HA -0.201 4.279 4.480 0.000 0.000 0.260 41 M C 2.293 178.565 176.300 -0.046 0.000 1.068 41 M CA 1.882 57.175 55.300 -0.011 0.000 1.109 41 M CB -0.327 32.246 32.600 -0.045 0.000 1.342 41 M HN 0.122 nan 8.290 nan 0.000 0.405 42 R N -0.642 119.805 120.500 -0.089 0.000 2.083 42 R HA -0.132 4.208 4.340 0.000 0.000 0.237 42 R C 2.526 178.792 176.300 -0.057 0.000 1.137 42 R CA 1.760 57.791 56.100 -0.115 0.000 0.951 42 R CB -0.581 29.636 30.300 -0.138 0.000 0.851 42 R HN 0.287 nan 8.270 nan 0.000 0.434 43 S N 0.665 116.350 115.700 -0.024 0.000 2.365 43 S HA -0.143 4.327 4.470 0.000 0.000 0.225 43 S C 1.918 176.560 174.600 0.071 0.000 1.039 43 S CA 1.271 59.479 58.200 0.012 0.000 1.033 43 S CB -0.171 63.032 63.200 0.005 0.000 0.887 43 S HN 0.208 nan 8.310 nan 0.000 0.447 44 I N 0.828 121.454 120.570 0.093 0.000 2.163 44 I HA -0.161 4.010 4.170 0.000 0.000 0.243 44 I C 2.245 178.470 176.117 0.180 0.000 1.085 44 I CA 1.057 62.475 61.300 0.197 0.000 1.347 44 I CB -0.459 37.668 38.000 0.213 0.000 1.044 44 I HN 0.191 nan 8.210 nan 0.000 0.408 45 V N 0.854 120.802 119.914 0.057 0.000 2.332 45 V HA -0.322 3.798 4.120 0.000 0.000 0.248 45 V C 2.418 178.505 176.094 -0.013 0.000 1.055 45 V CA 1.933 64.211 62.300 -0.036 0.000 1.038 45 V CB -0.664 31.083 31.823 -0.126 0.000 0.651 45 V HN 0.381 nan 8.190 nan 0.000 0.450 46 K N -0.880 119.531 120.400 0.018 0.000 2.057 46 K HA -0.216 4.105 4.320 0.000 0.000 0.207 46 K C 2.244 178.899 176.600 0.092 0.000 1.049 46 K CA 1.746 58.050 56.287 0.029 0.000 0.931 46 K CB -0.296 32.225 32.500 0.035 0.000 0.714 46 K HN 0.567 nan 8.250 nan 0.000 0.440 47 H N -0.469 118.641 119.070 0.066 0.000 2.363 47 H HA -0.022 4.534 4.556 0.000 0.000 0.301 47 H C 1.643 177.054 175.328 0.139 0.000 1.074 47 H CA 1.478 57.598 56.048 0.120 0.000 1.354 47 H CB -0.206 29.661 29.762 0.175 0.000 1.397 47 H HN 0.186 nan 8.280 nan 0.000 0.516 48 F N 0.091 119.900 119.950 -0.235 0.000 2.095 48 F HA -0.194 4.334 4.527 0.000 0.000 0.298 48 F C 2.203 177.712 175.800 -0.486 0.000 1.104 48 F CA 1.236 58.755 58.000 -0.801 0.000 1.232 48 F CB -0.101 38.291 39.000 -1.013 0.000 0.987 48 F HN 0.152 nan 8.300 nan 0.000 0.475 49 I N -0.870 119.664 120.570 -0.060 0.000 2.208 49 I HA -0.361 3.809 4.170 0.000 0.000 0.245 49 I C 2.663 178.736 176.117 -0.073 0.000 1.097 49 I CA 1.533 62.776 61.300 -0.095 0.000 1.363 49 I CB -0.655 37.288 38.000 -0.096 0.000 1.051 49 I HN 0.132 nan 8.210 nan 0.000 0.413 50 S N 0.281 115.935 115.700 -0.077 0.000 2.383 50 S HA -0.200 4.270 4.470 0.000 0.000 0.229 50 S C 1.955 176.493 174.600 -0.104 0.000 1.030 50 S CA 1.433 59.588 58.200 -0.076 0.000 1.002 50 S CB -0.184 62.986 63.200 -0.050 0.000 0.829 50 S HN 0.362 nan 8.310 nan 0.000 0.467 51 E N 0.802 120.901 120.200 -0.169 0.000 2.216 51 E HA 0.047 4.397 4.350 0.000 0.000 0.192 51 E C 2.091 178.676 176.600 -0.025 0.000 0.988 51 E CA 0.460 56.793 56.400 -0.113 0.000 0.834 51 E CB -0.279 29.359 29.700 -0.104 0.000 0.772 51 E HN 0.545 nan 8.360 nan 0.000 0.479 52 L N 1.027 122.246 121.223 -0.005 0.000 2.056 52 L HA -0.178 4.162 4.340 0.000 0.000 0.207 52 L C 2.038 178.926 176.870 0.029 0.000 1.078 52 L CA 1.068 55.933 54.840 0.041 0.000 0.749 52 L CB -0.384 41.680 42.059 0.010 0.000 0.901 52 L HN -0.043 nan 8.230 nan 0.000 0.433 53 D N 0.412 120.811 120.400 -0.001 0.000 2.104 53 D HA -0.174 4.466 4.640 0.000 0.000 0.194 53 D C 2.217 178.520 176.300 0.005 0.000 0.994 53 D CA 1.199 55.201 54.000 0.002 0.000 0.830 53 D CB -0.077 40.716 40.800 -0.010 0.000 0.959 53 D HN 0.216 nan 8.370 nan 0.000 0.452 54 K N 0.053 120.450 120.400 -0.004 0.000 2.063 54 K HA -0.074 4.246 4.320 0.000 0.000 0.208 54 K C 2.151 178.756 176.600 0.009 0.000 1.048 54 K CA 1.236 57.523 56.287 -0.000 0.000 0.928 54 K CB -0.361 32.134 32.500 -0.008 0.000 0.713 54 K HN 0.141 nan 8.250 nan 0.000 0.442 55 G N 0.972 109.783 108.800 0.019 0.000 2.443 55 G HA2 -0.176 3.785 3.960 0.000 0.000 0.219 55 G HA3 -0.176 3.785 3.960 0.000 0.000 0.219 55 G C 1.380 176.291 174.900 0.018 0.000 1.131 55 G CA 0.339 45.454 45.100 0.026 0.000 0.775 55 G HN 0.120 nan 8.290 nan 0.000 0.547 56 L N 1.193 122.427 121.223 0.019 0.000 2.446 56 L HA 0.148 4.488 4.340 0.000 0.000 0.219 56 L C 1.930 178.800 176.870 0.001 0.000 1.116 56 L CA 0.141 54.984 54.840 0.006 0.000 0.844 56 L CB -0.114 41.956 42.059 0.018 0.000 0.970 56 L HN 0.303 nan 8.230 nan 0.000 0.457 57 S N -0.842 114.861 115.700 0.005 0.000 2.655 57 S HA 0.142 4.612 4.470 0.000 0.000 0.265 57 S C 1.017 175.621 174.600 0.005 0.000 1.240 57 S CA -0.632 57.571 58.200 0.005 0.000 0.986 57 S CB 1.286 64.489 63.200 0.005 0.000 0.985 57 S HN 0.064 nan 8.310 nan 0.000 0.562 58 K N 0.923 121.327 120.400 0.007 0.000 2.025 58 K HA -0.080 4.240 4.320 0.000 0.000 0.207 58 K C 2.100 178.705 176.600 0.008 0.000 1.049 58 K CA 1.487 57.779 56.287 0.008 0.000 0.933 58 K CB -0.338 32.168 32.500 0.009 0.000 0.714 58 K HN 0.622 nan 8.250 nan 0.000 0.438 59 K N 0.670 121.074 120.400 0.007 0.000 2.228 59 K HA -0.125 4.195 4.320 0.000 0.000 0.205 59 K C 1.192 177.796 176.600 0.006 0.000 1.045 59 K CA 0.786 57.076 56.287 0.006 0.000 0.931 59 K CB -0.568 31.935 32.500 0.005 0.000 0.727 59 K HN 0.363 nan 8.250 nan 0.000 0.458 60 G N 0.548 109.352 108.800 0.007 0.000 2.749 60 G HA2 -0.065 3.895 3.960 0.000 0.000 0.242 60 G HA3 -0.065 3.895 3.960 0.000 0.000 0.242 60 G C 0.084 174.989 174.900 0.007 0.000 1.364 60 G CA -0.480 44.624 45.100 0.008 0.000 0.888 60 G HN 0.659 nan 8.290 nan 0.000 0.566 61 G N -2.488 106.317 108.800 0.009 0.000 2.554 61 G HA2 0.557 4.518 3.960 0.000 0.000 0.306 61 G HA3 0.557 4.518 3.960 0.000 0.000 0.306 61 G C 0.439 175.345 174.900 0.010 0.000 1.320 61 G CA 0.633 45.736 45.100 0.006 0.000 0.800 61 G HN 0.818 nan 8.290 nan 0.000 0.481 62 N N -0.625 118.077 118.700 0.003 0.000 2.364 62 N HA -0.011 4.729 4.740 0.000 0.000 0.183 62 N C 0.793 176.327 175.510 0.040 0.000 1.022 62 N CA 0.737 53.790 53.050 0.005 0.000 0.883 62 N CB 0.022 38.492 38.487 -0.029 0.000 0.965 62 N HN 0.401 nan 8.380 nan 0.000 0.438 63 I N 1.788 122.391 120.570 0.056 0.000 2.312 63 I HA 0.126 4.296 4.170 0.000 0.000 0.291 63 I C -1.438 174.722 176.117 0.071 0.000 1.031 63 I CA -1.812 59.545 61.300 0.095 0.000 1.293 63 I CB 1.769 39.845 38.000 0.126 0.000 1.403 63 I HN -0.224 nan 8.210 nan 0.000 0.484 64 P HA -0.082 nan 4.420 nan 0.000 0.216 64 P C 0.404 177.719 177.300 0.025 0.000 1.153 64 P CA 0.921 64.044 63.100 0.038 0.000 0.848 64 P CB 0.097 31.817 31.700 0.032 0.000 0.787 65 M N -2.145 117.477 119.600 0.037 0.000 2.573 65 M HA -0.169 4.311 4.480 0.000 0.000 0.184 65 M C -0.658 175.612 176.300 -0.049 0.000 0.953 65 M CA 0.594 55.906 55.300 0.020 0.000 0.592 65 M CB -2.653 29.973 32.600 0.043 0.000 1.151 65 M HN 0.028 nan 8.290 nan 0.000 0.850 66 I N 2.458 122.987 120.570 -0.069 0.000 2.337 66 I HA 0.197 4.367 4.170 0.000 0.000 0.291 66 I C -1.539 174.454 176.117 -0.206 0.000 1.046 66 I CA -1.727 59.514 61.300 -0.100 0.000 1.324 66 I CB 0.948 38.913 38.000 -0.059 0.000 1.409 66 I HN 0.124 nan 8.210 nan 0.000 0.494 67 P HA -0.030 nan 4.420 nan 0.000 0.261 67 P C 0.805 177.756 177.300 -0.583 0.000 1.183 67 P CA 0.278 63.031 63.100 -0.578 0.000 0.761 67 P CB 0.629 31.786 31.700 -0.905 0.000 0.785 68 G N 1.901 110.417 108.800 -0.472 0.000 3.042 68 G HA2 -0.042 3.918 3.960 0.000 0.000 0.212 68 G HA3 -0.042 3.918 3.960 0.000 0.000 0.212 68 G C -0.127 174.725 174.900 -0.081 0.000 1.166 68 G CA -0.363 44.591 45.100 -0.243 0.000 0.767 68 G HN 0.610 nan 8.290 nan 0.000 0.546 69 W N -1.060 120.192 121.300 -0.079 0.000 5.271 69 W HA -0.198 4.462 4.660 0.000 0.000 0.364 69 W C -0.287 176.201 176.519 -0.052 0.000 1.342 69 W CA -0.324 56.986 57.345 -0.057 0.000 0.899 69 W CB -2.100 27.332 29.460 -0.048 0.000 2.450 69 W HN 0.032 nan 8.180 nan 0.000 1.508 70 V N 1.400 121.341 119.914 0.044 0.000 2.347 70 V HA 0.349 4.469 4.120 0.000 0.000 0.280 70 V C 0.712 176.854 176.094 0.081 0.000 1.021 70 V CA -0.202 62.132 62.300 0.057 0.000 0.847 70 V CB 1.375 33.200 31.823 0.003 0.000 0.990 70 V HN 0.027 nan 8.190 nan 0.000 0.444 71 V N 1.886 121.851 119.914 0.085 0.000 2.940 71 V HA 0.569 4.689 4.120 0.000 0.000 0.366 71 V C 0.051 176.106 176.094 -0.065 0.000 1.353 71 V CA -0.013 62.310 62.300 0.039 0.000 1.232 71 V CB -0.717 31.136 31.823 0.050 0.000 1.278 71 V HN 0.980 nan 8.190 nan 0.000 0.546 72 E N -0.671 119.479 120.200 -0.083 0.000 2.422 72 E HA 0.429 4.780 4.350 0.000 0.000 0.280 72 E C -1.982 174.416 176.600 -0.336 0.000 1.091 72 E CA -1.003 55.185 56.400 -0.353 0.000 0.849 72 E CB 0.974 30.574 29.700 -0.167 0.000 1.353 72 E HN 0.109 nan 8.360 nan 0.000 0.449 73 Y N 0.433 120.637 120.300 -0.160 0.000 2.320 73 Y HA 0.412 4.962 4.550 0.000 0.000 0.324 73 Y C -1.962 173.931 175.900 -0.010 0.000 1.190 73 Y CA -2.592 55.402 58.100 -0.177 0.000 1.215 73 Y CB 0.247 38.557 38.460 -0.249 0.000 1.221 73 Y HN 0.296 nan 8.280 nan 0.000 0.486 74 P HA 0.069 nan 4.420 nan 0.000 0.271 74 P C 0.462 177.881 177.300 0.198 0.000 1.218 74 P CA -0.168 63.063 63.100 0.220 0.000 0.780 74 P CB 1.178 33.053 31.700 0.291 0.000 0.901 75 T N -2.491 112.147 114.554 0.140 0.000 3.044 75 T HA 0.265 4.615 4.350 0.000 0.000 0.250 75 T C 1.375 175.996 174.700 -0.131 0.000 1.081 75 T CA 0.680 62.815 62.100 0.057 0.000 1.040 75 T CB -0.643 68.245 68.868 0.032 0.000 0.962 75 T HN 0.633 nan 8.240 nan 0.000 0.506 76 G N 1.912 110.564 108.800 -0.247 0.000 2.234 76 G HA2 -0.310 3.650 3.960 0.000 0.000 0.260 76 G HA3 -0.310 3.650 3.960 0.000 0.000 0.260 76 G C 0.872 175.488 174.900 -0.472 0.000 0.987 76 G CA 0.519 45.031 45.100 -0.979 0.000 0.625 76 G HN 0.571 nan 8.290 nan 0.000 0.532 77 K N 0.371 120.681 120.400 -0.149 0.000 2.361 77 K HA 0.211 4.531 4.320 0.000 0.000 0.194 77 K C 0.462 177.103 176.600 0.069 0.000 1.032 77 K CA 0.091 56.355 56.287 -0.039 0.000 1.048 77 K CB 0.284 32.767 32.500 -0.029 0.000 0.842 77 K HN 0.451 nan 8.250 nan 0.000 0.526 78 E N 1.855 122.145 120.200 0.149 0.000 2.452 78 E HA -0.023 4.327 4.350 0.000 0.000 0.261 78 E C 0.023 176.735 176.600 0.187 0.000 0.987 78 E CA 0.481 56.968 56.400 0.145 0.000 0.926 78 E CB 0.611 30.366 29.700 0.092 0.000 0.934 78 E HN 0.164 nan 8.360 nan 0.000 0.452 79 T N -0.524 114.142 114.554 0.187 0.000 2.887 79 T HA 0.870 5.220 4.350 0.000 0.000 0.292 79 T C 0.281 175.175 174.700 0.322 0.000 1.087 79 T CA -0.527 61.704 62.100 0.218 0.000 1.009 79 T CB 2.001 70.957 68.868 0.147 0.000 1.203 79 T HN 0.795 nan 8.240 nan 0.000 0.518 80 G N 0.548 109.498 108.800 0.249 0.000 2.408 80 G HA2 0.272 4.232 3.960 0.000 0.000 0.682 80 G HA3 0.272 4.232 3.960 0.000 0.000 0.682 80 G C -2.215 172.636 174.900 -0.082 0.000 1.303 80 G CA -0.897 44.258 45.100 0.092 0.000 0.966 80 G HN 0.866 nan 8.290 nan 0.000 0.560 81 D N 0.159 120.256 120.400 -0.505 0.000 2.303 81 D HA 0.695 5.336 4.640 0.000 0.000 0.236 81 D C -0.587 175.115 176.300 -0.996 0.000 1.068 81 D CA 0.312 54.055 54.000 -0.429 0.000 0.830 81 D CB 1.109 41.840 40.800 -0.115 0.000 1.109 81 D HN 0.288 nan 8.370 nan 0.000 0.496 82 F N 0.739 120.722 119.950 0.055 0.000 2.569 82 F HA 0.414 4.941 4.527 0.000 0.000 0.312 82 F C 0.089 175.910 175.800 0.034 0.000 1.109 82 F CA -0.964 57.050 58.000 0.024 0.000 0.919 82 F CB 1.445 40.435 39.000 -0.015 0.000 1.211 82 F HN -0.036 nan 8.300 nan 0.000 0.446 83 L N 2.398 123.720 121.223 0.165 0.000 2.375 83 L HA 0.891 5.231 4.340 0.000 0.000 0.268 83 L C -0.116 176.805 176.870 0.085 0.000 1.058 83 L CA -0.870 54.032 54.840 0.103 0.000 0.803 83 L CB 1.619 43.721 42.059 0.072 0.000 1.212 83 L HN 0.806 nan 8.230 nan 0.000 0.451 84 A N 2.237 125.075 122.820 0.030 0.000 2.475 84 A HA 0.763 5.083 4.320 0.000 0.000 0.301 84 A C -1.620 175.979 177.584 0.025 0.000 1.059 84 A CA -0.453 51.609 52.037 0.043 0.000 0.710 84 A CB 1.873 20.892 19.000 0.031 0.000 1.288 84 A HN 0.493 nan 8.150 nan 0.000 0.408 85 L N 1.410 122.698 121.223 0.108 0.000 2.343 85 L HA 0.686 5.026 4.340 0.000 0.000 0.278 85 L C -1.239 175.810 176.870 0.300 0.000 0.996 85 L CA -0.189 54.736 54.840 0.140 0.000 0.831 85 L CB 1.683 43.768 42.059 0.043 0.000 1.232 85 L HN 0.650 nan 8.230 nan 0.000 0.413 86 D N 4.606 125.146 120.400 0.234 0.000 2.454 86 D HA 0.284 4.924 4.640 0.000 0.000 0.225 86 D C -1.219 175.267 176.300 0.311 0.000 1.081 86 D CA -0.205 53.942 54.000 0.244 0.000 0.864 86 D CB 0.962 41.844 40.800 0.137 0.000 1.040 86 D HN 0.521 nan 8.370 nan 0.000 0.517 87 L N 4.404 125.897 121.223 0.449 0.000 2.255 87 L HA 0.714 5.054 4.340 0.000 0.000 0.289 87 L C 0.339 177.455 176.870 0.411 0.000 1.046 87 L CA -0.011 55.127 54.840 0.497 0.000 0.816 87 L CB 0.985 43.507 42.059 0.770 0.000 1.197 87 L HN 0.414 nan 8.230 nan 0.000 0.427 88 G N 2.484 111.496 108.800 0.354 0.000 2.705 88 G HA2 0.450 4.410 3.960 0.000 0.000 0.299 88 G HA3 0.450 4.410 3.960 0.000 0.000 0.299 88 G C 0.622 175.747 174.900 0.374 0.000 1.315 88 G CA -0.260 45.010 45.100 0.283 0.000 1.045 88 G HN 0.764 nan 8.290 nan 0.000 0.517 89 G N -1.622 107.296 108.800 0.198 0.000 2.448 89 G HA2 0.072 4.032 3.960 0.000 0.000 0.218 89 G HA3 0.072 4.032 3.960 0.000 0.000 0.218 89 G C 1.384 176.132 174.900 -0.253 0.000 1.135 89 G CA 2.127 47.165 45.100 -0.104 0.000 0.784 89 G HN 0.992 nan 8.290 nan 0.000 0.543 90 T N -4.133 110.378 114.554 -0.071 0.000 2.954 90 T HA 0.262 4.612 4.350 0.000 0.000 0.252 90 T C 0.562 175.274 174.700 0.020 0.000 0.983 90 T CA -0.359 61.695 62.100 -0.077 0.000 0.941 90 T CB 0.587 69.418 68.868 -0.061 0.000 1.141 90 T HN 0.086 nan 8.240 nan 0.000 0.500 91 N N 1.150 119.906 118.700 0.094 0.000 2.455 91 N HA 0.650 5.390 4.740 0.000 0.000 0.278 91 N C -1.614 174.030 175.510 0.223 0.000 1.291 91 N CA -0.664 52.480 53.050 0.156 0.000 0.780 91 N CB 2.786 41.344 38.487 0.120 0.000 1.520 91 N HN 0.281 nan 8.380 nan 0.000 0.486 92 L N -1.950 119.441 121.223 0.281 0.000 2.301 92 L HA 0.751 5.091 4.340 0.000 0.000 0.264 92 L C -0.273 176.742 176.870 0.242 0.000 1.016 92 L CA -0.794 54.214 54.840 0.279 0.000 0.821 92 L CB 1.573 43.819 42.059 0.311 0.000 1.346 92 L HN 0.303 nan 8.230 nan 0.000 0.429 93 R N 0.462 121.072 120.500 0.184 0.000 2.740 93 R HA 0.859 5.199 4.340 0.000 0.000 0.282 93 R C -1.624 174.717 176.300 0.068 0.000 0.969 93 R CA -0.954 55.210 56.100 0.107 0.000 0.918 93 R CB 2.575 32.911 30.300 0.061 0.000 1.175 93 R HN 0.597 nan 8.270 nan 0.000 0.464 94 V N 3.369 123.262 119.914 -0.034 0.000 2.540 94 V HA 0.452 4.572 4.120 0.000 0.000 0.302 94 V C -0.619 175.201 176.094 -0.455 0.000 1.035 94 V CA -0.720 61.417 62.300 -0.272 0.000 0.873 94 V CB 2.034 33.608 31.823 -0.416 0.000 0.992 94 V HN 0.434 nan 8.190 nan 0.000 0.428 95 V N 5.615 125.328 119.914 -0.335 0.000 2.577 95 V HA 0.478 4.598 4.120 0.000 0.000 0.303 95 V C -0.641 175.392 176.094 -0.102 0.000 1.042 95 V CA -0.682 61.505 62.300 -0.188 0.000 0.872 95 V CB 1.862 33.645 31.823 -0.066 0.000 0.998 95 V HN 0.658 nan 8.190 nan 0.000 0.423 96 L N 6.300 127.554 121.223 0.053 0.000 2.264 96 L HA 0.692 5.032 4.340 0.000 0.000 0.289 96 L C -0.433 176.499 176.870 0.103 0.000 1.044 96 L CA 0.201 55.140 54.840 0.165 0.000 0.807 96 L CB 1.452 43.694 42.059 0.304 0.000 1.192 96 L HN 0.488 nan 8.230 nan 0.000 0.425 97 V N 5.476 125.460 119.914 0.116 0.000 2.448 97 V HA 0.447 4.567 4.120 0.000 0.000 0.295 97 V C -0.227 175.968 176.094 0.168 0.000 1.025 97 V CA -0.851 61.523 62.300 0.124 0.000 0.859 97 V CB 1.585 33.441 31.823 0.055 0.000 0.988 97 V HN 0.742 nan 8.190 nan 0.000 0.431 98 K N 5.441 125.946 120.400 0.175 0.000 2.265 98 K HA 0.630 4.950 4.320 0.000 0.000 0.267 98 K C -1.134 175.606 176.600 0.232 0.000 0.994 98 K CA -0.588 55.802 56.287 0.173 0.000 0.860 98 K CB 0.948 33.519 32.500 0.119 0.000 1.099 98 K HN 0.633 nan 8.250 nan 0.000 0.448 99 L N 3.841 125.216 121.223 0.253 0.000 2.276 99 L HA 0.324 4.664 4.340 0.000 0.000 0.286 99 L C 1.392 178.413 176.870 0.252 0.000 1.061 99 L CA -0.476 54.526 54.840 0.270 0.000 0.807 99 L CB 1.510 43.675 42.059 0.176 0.000 1.177 99 L HN 0.951 nan 8.230 nan 0.000 0.429 100 G N 0.945 109.899 108.800 0.257 0.000 2.880 100 G HA2 0.282 4.242 3.960 0.000 0.000 0.209 100 G HA3 0.282 4.242 3.960 0.000 0.000 0.209 100 G C 1.092 176.080 174.900 0.147 0.000 1.157 100 G CA 0.451 45.652 45.100 0.169 0.000 0.779 100 G HN 0.997 nan 8.290 nan 0.000 0.539 101 G N -0.182 108.734 108.800 0.193 0.000 2.157 101 G HA2 -0.272 3.688 3.960 0.000 0.000 0.248 101 G HA3 -0.272 3.688 3.960 0.000 0.000 0.248 101 G C 0.203 175.099 174.900 -0.006 0.000 0.979 101 G CA 0.321 45.484 45.100 0.105 0.000 0.650 101 G HN 0.656 nan 8.290 nan 0.000 0.529 102 N N -0.013 118.678 118.700 -0.014 0.000 2.723 102 N HA 0.290 5.030 4.740 0.000 0.000 0.290 102 N C 0.810 176.264 175.510 -0.094 0.000 1.882 102 N CA -0.415 52.589 53.050 -0.077 0.000 0.851 102 N CB -0.112 38.381 38.487 0.009 0.000 1.234 102 N HN 0.300 nan 8.380 nan 0.000 0.491 103 H N -0.285 118.596 119.070 -0.314 0.000 2.822 103 H HA -0.185 4.371 4.556 0.000 0.000 0.295 103 H C -0.853 174.358 175.328 -0.196 0.000 1.151 103 H CA 1.607 57.284 56.048 -0.618 0.000 1.151 103 H CB -1.402 28.158 29.762 -0.337 0.000 1.343 103 H HN 0.697 nan 8.280 nan 0.000 0.382 104 D N -0.263 120.243 120.400 0.176 0.000 2.477 104 D HA 0.660 5.300 4.640 0.000 0.000 0.234 104 D C 0.244 176.822 176.300 0.463 0.000 1.048 104 D CA -0.880 53.266 54.000 0.244 0.000 0.959 104 D CB 1.564 42.400 40.800 0.061 0.000 1.408 104 D HN 0.091 nan 8.370 nan 0.000 0.496 105 F N -2.126 117.953 119.950 0.215 0.000 2.741 105 F HA 0.664 5.191 4.527 0.000 0.000 0.311 105 F C -1.911 173.949 175.800 0.099 0.000 1.149 105 F CA -1.130 56.966 58.000 0.161 0.000 0.930 105 F CB 1.624 40.707 39.000 0.139 0.000 1.312 105 F HN 0.314 nan 8.300 nan 0.000 0.450 106 D N 0.300 120.902 120.400 0.337 0.000 2.619 106 D HA 0.683 5.323 4.640 0.000 0.000 0.241 106 D C -1.281 175.187 176.300 0.279 0.000 1.087 106 D CA -0.139 53.977 54.000 0.193 0.000 0.851 106 D CB 2.426 43.282 40.800 0.093 0.000 1.474 106 D HN 0.961 nan 8.370 nan 0.000 0.478 107 T N -0.608 114.069 114.554 0.205 0.000 2.893 107 T HA 0.751 5.101 4.350 0.000 0.000 0.291 107 T C -0.692 174.018 174.700 0.016 0.000 1.028 107 T CA -0.725 61.461 62.100 0.144 0.000 0.995 107 T CB 1.785 70.760 68.868 0.178 0.000 1.051 107 T HN 0.201 nan 8.240 nan 0.000 0.470 108 T N 2.881 117.414 114.554 -0.035 0.000 2.937 108 T HA 0.601 4.951 4.350 0.000 0.000 0.297 108 T C -1.055 173.654 174.700 0.016 0.000 0.991 108 T CA -0.821 61.175 62.100 -0.173 0.000 0.990 108 T CB 1.326 69.875 68.868 -0.532 0.000 0.991 108 T HN 0.899 nan 8.240 nan 0.000 0.440 109 Q N 2.773 122.605 119.800 0.053 0.000 2.377 109 Q HA 0.587 4.927 4.340 0.000 0.000 0.279 109 Q C -1.624 174.460 176.000 0.139 0.000 1.049 109 Q CA -1.082 54.777 55.803 0.093 0.000 0.825 109 Q CB 2.150 30.893 28.738 0.010 0.000 1.401 109 Q HN 0.535 nan 8.270 nan 0.000 0.404 110 N N 0.502 119.262 118.700 0.099 0.000 2.292 110 N HA 0.459 5.199 4.740 0.000 0.000 0.303 110 N C -1.714 173.660 175.510 -0.227 0.000 1.140 110 N CA -0.880 52.144 53.050 -0.044 0.000 0.788 110 N CB 2.412 40.900 38.487 0.002 0.000 1.361 110 N HN 0.499 nan 8.380 nan 0.000 0.489 111 K N 1.904 122.094 120.400 -0.350 0.000 2.378 111 K HA 0.393 4.713 4.320 0.000 0.000 0.252 111 K C -1.918 174.476 176.600 -0.343 0.000 0.931 111 K CA -0.525 55.633 56.287 -0.216 0.000 0.794 111 K CB 0.994 33.457 32.500 -0.062 0.000 1.181 111 K HN 0.474 nan 8.250 nan 0.000 0.425 112 Y N 2.000 122.381 120.300 0.135 0.000 2.346 112 Y HA 0.336 4.886 4.550 0.000 0.000 0.332 112 Y C -0.139 175.890 175.900 0.214 0.000 0.985 112 Y CA -0.953 57.261 58.100 0.190 0.000 1.112 112 Y CB 1.762 40.347 38.460 0.209 0.000 1.170 112 Y HN 0.545 nan 8.280 nan 0.000 0.447 113 R N 3.319 123.998 120.500 0.297 0.000 2.442 113 R HA 0.338 4.679 4.340 0.000 0.000 0.291 113 R C -0.933 175.453 176.300 0.144 0.000 1.069 113 R CA -0.205 56.002 56.100 0.177 0.000 1.022 113 R CB 0.318 30.677 30.300 0.098 0.000 0.976 113 R HN 0.778 nan 8.270 nan 0.000 0.443 114 L N 7.565 128.810 121.223 0.036 0.000 2.462 114 L HA 0.182 4.522 4.340 0.000 0.000 0.272 114 L C -1.745 174.948 176.870 -0.295 0.000 1.166 114 L CA -1.756 52.959 54.840 -0.210 0.000 0.880 114 L CB 0.634 42.608 42.059 -0.141 0.000 1.142 114 L HN 0.557 nan 8.230 nan 0.000 0.473 115 P HA -0.035 nan 4.420 nan 0.000 0.261 115 P C -0.112 177.041 177.300 -0.245 0.000 1.183 115 P CA -0.060 62.878 63.100 -0.269 0.000 0.761 115 P CB 0.456 32.002 31.700 -0.257 0.000 0.785 116 D N 1.860 122.202 120.400 -0.097 0.000 2.218 116 D HA -0.254 4.386 4.640 0.000 0.000 0.204 116 D C 1.524 177.744 176.300 -0.134 0.000 0.976 116 D CA 1.151 55.074 54.000 -0.128 0.000 0.853 116 D CB -0.907 39.843 40.800 -0.084 0.000 0.939 116 D HN 0.555 nan 8.370 nan 0.000 0.481 117 H N 1.221 120.207 119.070 -0.140 0.000 2.492 117 H HA -0.097 4.460 4.556 0.000 0.000 0.296 117 H C 1.815 177.061 175.328 -0.135 0.000 1.095 117 H CA 0.869 56.845 56.048 -0.121 0.000 1.281 117 H CB -0.687 29.018 29.762 -0.095 0.000 1.374 117 H HN 0.283 nan 8.280 nan 0.000 0.545 118 L N 0.555 121.395 121.223 -0.638 0.000 2.072 118 L HA -0.093 4.247 4.340 0.000 0.000 0.205 118 L C 2.923 179.628 176.870 -0.276 0.000 1.079 118 L CA 0.796 55.337 54.840 -0.499 0.000 0.752 118 L CB -0.298 41.455 42.059 -0.510 0.000 0.906 118 L HN 0.114 nan 8.230 nan 0.000 0.436 119 R N 0.177 120.506 120.500 -0.285 0.000 2.140 119 R HA -0.184 4.156 4.340 0.000 0.000 0.250 119 R C 1.803 177.961 176.300 -0.237 0.000 1.150 119 R CA 2.084 57.990 56.100 -0.322 0.000 0.966 119 R CB -1.610 28.428 30.300 -0.436 0.000 0.869 119 R HN 0.507 nan 8.270 nan 0.000 0.445 120 T N -2.786 111.651 114.554 -0.195 0.000 3.174 120 T HA 0.352 4.702 4.350 0.000 0.000 0.269 120 T C 0.851 175.491 174.700 -0.101 0.000 1.017 120 T CA -0.065 61.950 62.100 -0.142 0.000 0.899 120 T CB 0.702 69.508 68.868 -0.103 0.000 1.077 120 T HN 0.245 nan 8.240 nan 0.000 0.552 121 G N 1.671 110.398 108.800 -0.123 0.000 2.582 121 G HA2 0.549 4.509 3.960 0.000 0.000 0.232 121 G HA3 0.549 4.509 3.960 0.000 0.000 0.232 121 G C -0.151 174.723 174.900 -0.043 0.000 1.458 121 G CA -0.322 44.735 45.100 -0.072 0.000 1.062 121 G HN 0.512 nan 8.290 nan 0.000 0.566 122 T N -2.406 112.141 114.554 -0.012 0.000 2.943 122 T HA 0.435 4.786 4.350 0.000 0.000 0.284 122 T C 1.371 176.089 174.700 0.030 0.000 1.015 122 T CA 0.219 62.338 62.100 0.032 0.000 1.042 122 T CB 1.636 70.540 68.868 0.060 0.000 1.055 122 T HN 0.401 nan 8.240 nan 0.000 0.500 123 S N 0.063 115.831 115.700 0.113 0.000 2.359 123 S HA -0.224 4.247 4.470 0.000 0.000 0.223 123 S C 1.887 176.589 174.600 0.169 0.000 1.039 123 S CA 2.010 60.324 58.200 0.190 0.000 1.042 123 S CB -0.580 62.837 63.200 0.362 0.000 0.915 123 S HN 0.859 nan 8.310 nan 0.000 0.439 124 E N -0.506 119.821 120.200 0.213 0.000 2.160 124 E HA -0.188 4.163 4.350 0.000 0.000 0.195 124 E C 2.171 178.864 176.600 0.155 0.000 0.991 124 E CA 1.271 57.817 56.400 0.243 0.000 0.810 124 E CB -0.005 29.790 29.700 0.158 0.000 0.742 124 E HN 0.462 nan 8.360 nan 0.000 0.466 125 Q N -0.262 119.577 119.800 0.064 0.000 2.212 125 Q HA -0.031 4.309 4.340 0.000 0.000 0.199 125 Q C 1.872 177.855 176.000 -0.029 0.000 0.950 125 Q CA 0.370 56.199 55.803 0.043 0.000 0.863 125 Q CB -0.179 28.584 28.738 0.042 0.000 0.944 125 Q HN 0.223 nan 8.270 nan 0.000 0.465 126 L N -0.330 120.781 121.223 -0.187 0.000 1.956 126 L HA -0.185 4.155 4.340 0.000 0.000 0.216 126 L C 1.552 178.251 176.870 -0.285 0.000 1.073 126 L CA 2.044 56.672 54.840 -0.353 0.000 0.762 126 L CB -0.915 40.714 42.059 -0.717 0.000 0.889 126 L HN 0.348 nan 8.230 nan 0.000 0.433 127 W N -0.104 121.252 121.300 0.094 0.000 2.342 127 W HA -0.199 4.462 4.660 0.000 0.000 0.297 127 W C 2.964 179.501 176.519 0.030 0.000 1.213 127 W CA 1.403 58.776 57.345 0.046 0.000 1.251 127 W CB -1.248 28.221 29.460 0.016 0.000 1.136 127 W HN 0.449 nan 8.180 nan 0.000 0.526 128 S N -0.235 115.594 115.700 0.215 0.000 2.402 128 S HA -0.245 4.225 4.470 0.000 0.000 0.229 128 S C 1.712 176.376 174.600 0.107 0.000 1.021 128 S CA 1.108 59.391 58.200 0.139 0.000 0.974 128 S CB -1.050 62.223 63.200 0.121 0.000 0.800 128 S HN 0.326 nan 8.310 nan 0.000 0.484 129 F N 2.280 122.226 119.950 -0.005 0.000 2.163 129 F HA 0.178 4.705 4.527 0.000 0.000 0.297 129 F C 1.864 177.635 175.800 -0.048 0.000 1.094 129 F CA 0.944 58.926 58.000 -0.030 0.000 1.290 129 F CB -0.302 38.671 39.000 -0.045 0.000 1.017 129 F HN 0.136 nan 8.300 nan 0.000 0.483 130 I N 0.554 121.094 120.570 -0.049 0.000 2.208 130 I HA -0.338 3.832 4.170 0.000 0.000 0.245 130 I C 2.715 178.708 176.117 -0.207 0.000 1.097 130 I CA 1.296 62.511 61.300 -0.140 0.000 1.363 130 I CB -0.991 37.037 38.000 0.047 0.000 1.051 130 I HN 0.270 nan 8.210 nan 0.000 0.413 131 A N 0.737 123.496 122.820 -0.101 0.000 1.902 131 A HA -0.215 4.106 4.320 0.000 0.000 0.217 131 A C 2.317 179.803 177.584 -0.164 0.000 1.181 131 A CA 1.535 53.515 52.037 -0.096 0.000 0.623 131 A CB -0.447 18.541 19.000 -0.020 0.000 0.818 131 A HN 0.313 nan 8.150 nan 0.000 0.443 132 K N -0.685 119.580 120.400 -0.226 0.000 2.074 132 K HA -0.201 4.119 4.320 0.000 0.000 0.209 132 K C 2.113 178.485 176.600 -0.379 0.000 1.048 132 K CA 1.628 57.760 56.287 -0.259 0.000 0.926 132 K CB -0.529 31.823 32.500 -0.246 0.000 0.713 132 K HN 0.600 nan 8.250 nan 0.000 0.444 133 C N 0.876 119.792 119.300 -0.640 0.000 2.453 133 C HA -0.057 4.403 4.460 0.000 0.000 0.277 133 C C 2.584 177.346 174.990 -0.380 0.000 1.262 133 C CA 0.418 58.927 59.018 -0.848 0.000 1.718 133 C CB -0.858 26.170 27.740 -1.185 0.000 2.031 133 C HN 0.417 nan 8.230 nan 0.000 0.480 134 L N 0.964 122.052 121.223 -0.225 0.000 2.043 134 L HA -0.233 4.107 4.340 0.000 0.000 0.212 134 L C 2.637 179.548 176.870 0.068 0.000 1.075 134 L CA 1.901 56.724 54.840 -0.029 0.000 0.752 134 L CB -0.712 41.316 42.059 -0.051 0.000 0.891 134 L HN 0.420 nan 8.230 nan 0.000 0.432 135 K N 0.477 120.873 120.400 -0.007 0.000 2.026 135 K HA -0.264 4.057 4.320 0.000 0.000 0.208 135 K C 2.081 178.716 176.600 0.059 0.000 1.048 135 K CA 1.776 58.078 56.287 0.024 0.000 0.929 135 K CB -0.011 32.479 32.500 -0.016 0.000 0.713 135 K HN 0.140 nan 8.250 nan 0.000 0.439 136 E N -0.040 120.180 120.200 0.033 0.000 2.085 136 E HA -0.225 4.125 4.350 0.000 0.000 0.194 136 E C 1.727 178.429 176.600 0.169 0.000 0.994 136 E CA 1.561 58.002 56.400 0.069 0.000 0.801 136 E CB -0.351 29.383 29.700 0.055 0.000 0.743 136 E HN 0.392 nan 8.360 nan 0.000 0.453 137 F N -0.029 120.006 119.950 0.141 0.000 2.075 137 F HA -0.164 4.364 4.527 0.000 0.000 0.297 137 F C 2.088 178.079 175.800 0.318 0.000 1.113 137 F CA 1.550 59.730 58.000 0.300 0.000 1.218 137 F CB -0.431 38.762 39.000 0.321 0.000 0.984 137 F HN -0.057 nan 8.300 nan 0.000 0.472 138 V N 0.331 120.484 119.914 0.397 0.000 2.343 138 V HA -0.296 3.824 4.120 0.000 0.000 0.247 138 V C 1.960 178.154 176.094 0.167 0.000 1.051 138 V CA 2.206 64.707 62.300 0.335 0.000 1.036 138 V CB -0.703 31.280 31.823 0.266 0.000 0.654 138 V HN 0.287 nan 8.190 nan 0.000 0.451 139 D N -0.492 119.949 120.400 0.068 0.000 2.178 139 D HA -0.165 4.475 4.640 0.000 0.000 0.201 139 D C 2.186 178.408 176.300 -0.130 0.000 0.980 139 D CA 1.283 55.279 54.000 -0.007 0.000 0.842 139 D CB -0.050 40.740 40.800 -0.017 0.000 0.948 139 D HN 0.582 nan 8.370 nan 0.000 0.472 140 E N -0.856 119.187 120.200 -0.262 0.000 2.046 140 E HA -0.133 4.217 4.350 0.000 0.000 0.190 140 E C 1.696 177.795 176.600 -0.835 0.000 0.982 140 E CA 0.794 56.832 56.400 -0.603 0.000 0.800 140 E CB -0.038 29.157 29.700 -0.842 0.000 0.756 140 E HN 0.339 nan 8.360 nan 0.000 0.449 141 W N -0.942 120.171 121.300 -0.312 0.000 2.576 141 W HA 0.022 4.682 4.660 0.000 0.000 0.270 141 W C 0.305 176.460 176.519 -0.606 0.000 1.255 141 W CA 0.038 57.102 57.345 -0.469 0.000 1.314 141 W CB 0.285 29.385 29.460 -0.601 0.000 1.101 141 W HN 0.038 nan 8.180 nan 0.000 0.595 142 Y N 0.690 120.995 120.300 0.007 0.000 2.562 142 Y HA 0.250 4.800 4.550 0.000 0.000 0.363 142 Y C -1.577 174.299 175.900 -0.039 0.000 0.991 142 Y CA -2.296 55.809 58.100 0.007 0.000 1.121 142 Y CB 0.239 38.722 38.460 0.038 0.000 1.159 142 Y HN -0.193 nan 8.280 nan 0.000 0.651 143 P HA -0.135 nan 4.420 nan 0.000 0.222 143 P C 0.128 177.434 177.300 0.011 0.000 1.147 143 P CA 1.507 64.591 63.100 -0.027 0.000 0.790 143 P CB 0.486 32.134 31.700 -0.088 0.000 0.780 144 D N -0.237 120.187 120.400 0.040 0.000 2.427 144 D HA 0.269 4.910 4.640 0.000 0.000 0.224 144 D C 1.169 177.503 176.300 0.056 0.000 1.157 144 D CA 0.265 54.287 54.000 0.037 0.000 0.828 144 D CB 0.357 41.175 40.800 0.029 0.000 0.974 144 D HN 0.128 nan 8.370 nan 0.000 0.498 145 G N 0.439 109.287 108.800 0.080 0.000 2.796 145 G HA2 -0.223 3.737 3.960 0.000 0.000 0.226 145 G HA3 -0.223 3.737 3.960 0.000 0.000 0.226 145 G C -0.264 174.663 174.900 0.046 0.000 1.381 145 G CA -0.446 44.685 45.100 0.051 0.000 0.867 145 G HN 0.166 nan 8.290 nan 0.000 0.552 146 V N -0.577 119.307 119.914 -0.050 0.000 2.881 146 V HA 0.663 4.783 4.120 0.000 0.000 0.316 146 V C 1.335 177.392 176.094 -0.062 0.000 1.070 146 V CA 0.314 62.549 62.300 -0.109 0.000 0.976 146 V CB 1.539 33.195 31.823 -0.278 0.000 1.038 146 V HN 1.025 nan 8.190 nan 0.000 0.446 147 S N 0.471 116.140 115.700 -0.051 0.000 2.371 147 S HA 0.033 4.503 4.470 0.000 0.000 0.224 147 S C 0.549 175.121 174.600 -0.047 0.000 1.029 147 S CA 1.055 59.234 58.200 -0.034 0.000 0.978 147 S CB -0.062 63.125 63.200 -0.021 0.000 0.833 147 S HN 0.799 nan 8.310 nan 0.000 0.466 148 E N 0.406 120.562 120.200 -0.072 0.000 2.317 148 E HA 0.363 4.713 4.350 0.000 0.000 0.270 148 E C -2.956 173.583 176.600 -0.102 0.000 0.885 148 E CA -2.459 53.899 56.400 -0.070 0.000 0.760 148 E CB 1.437 31.102 29.700 -0.059 0.000 1.227 148 E HN -0.020 nan 8.360 nan 0.000 0.434 149 P HA -0.027 nan 4.420 nan 0.000 0.264 149 P C -0.573 176.662 177.300 -0.109 0.000 1.183 149 P CA 0.341 63.388 63.100 -0.088 0.000 0.763 149 P CB 0.359 32.026 31.700 -0.055 0.000 0.807 150 L N 6.250 127.391 121.223 -0.136 0.000 2.361 150 L HA 0.252 4.592 4.340 0.000 0.000 0.278 150 L C -1.946 174.901 176.870 -0.039 0.000 1.113 150 L CA -1.894 52.865 54.840 -0.135 0.000 0.849 150 L CB 0.187 42.155 42.059 -0.152 0.000 1.155 150 L HN 0.231 nan 8.230 nan 0.000 0.452 151 P HA 0.150 nan 4.420 nan 0.000 0.271 151 P C -0.919 176.459 177.300 0.129 0.000 1.216 151 P CA -0.158 63.006 63.100 0.106 0.000 0.771 151 P CB 0.831 32.679 31.700 0.247 0.000 0.864 152 L N 2.570 123.847 121.223 0.089 0.000 2.365 152 L HA 0.803 5.143 4.340 0.000 0.000 0.273 152 L C -0.090 176.838 176.870 0.098 0.000 1.000 152 L CA -0.514 54.377 54.840 0.086 0.000 0.819 152 L CB 1.736 43.816 42.059 0.036 0.000 1.284 152 L HN 0.455 nan 8.230 nan 0.000 0.418 153 G N 2.985 111.851 108.800 0.110 0.000 2.372 153 G HA2 0.447 4.407 3.960 0.000 0.000 0.323 153 G HA3 0.447 4.407 3.960 0.000 0.000 0.323 153 G C -1.599 173.430 174.900 0.216 0.000 1.152 153 G CA -0.289 44.887 45.100 0.126 0.000 0.906 153 G HN 0.393 nan 8.290 nan 0.000 0.460 154 F N 2.997 122.979 119.950 0.053 0.000 2.347 154 F HA 0.480 5.007 4.527 0.000 0.000 0.366 154 F C 0.283 176.166 175.800 0.139 0.000 1.107 154 F CA -1.406 56.654 58.000 0.100 0.000 1.058 154 F CB 1.274 40.326 39.000 0.087 0.000 1.236 154 F HN 0.251 nan 8.300 nan 0.000 0.456 155 T N 7.632 122.362 114.554 0.293 0.000 2.727 155 T HA 0.212 4.562 4.350 0.000 0.000 0.295 155 T C -0.807 173.880 174.700 -0.022 0.000 0.915 155 T CA 0.202 62.348 62.100 0.076 0.000 1.066 155 T CB -0.344 68.575 68.868 0.085 0.000 0.891 155 T HN 0.410 nan 8.240 nan 0.000 0.516 156 F N 3.115 122.832 119.950 -0.388 0.000 2.564 156 F HA 0.360 4.887 4.527 0.000 0.000 0.368 156 F C 0.383 176.042 175.800 -0.234 0.000 1.127 156 F CA -0.786 56.980 58.000 -0.389 0.000 1.170 156 F CB 0.893 39.435 39.000 -0.763 0.000 1.397 156 F HN 0.375 nan 8.300 nan 0.000 0.493 157 S N 4.715 120.050 115.700 -0.609 0.000 3.149 157 S HA 0.261 4.731 4.470 0.000 0.000 0.228 157 S C -0.801 173.247 174.600 -0.921 0.000 1.393 157 S CA -0.053 57.797 58.200 -0.584 0.000 1.224 157 S CB -0.713 62.235 63.200 -0.421 0.000 1.112 157 S HN 0.481 nan 8.310 nan 0.000 0.502 158 Y N 0.588 120.616 120.300 -0.453 0.000 2.549 158 Y HA 0.454 5.004 4.550 0.000 0.000 0.339 158 Y C -2.394 173.407 175.900 -0.165 0.000 1.053 158 Y CA -3.006 54.895 58.100 -0.331 0.000 1.105 158 Y CB 0.190 38.316 38.460 -0.556 0.000 1.258 158 Y HN 0.062 nan 8.280 nan 0.000 0.478 159 P HA 0.229 nan 4.420 nan 0.000 0.261 159 P C -1.177 176.157 177.300 0.057 0.000 1.183 159 P CA 0.576 63.698 63.100 0.037 0.000 0.761 159 P CB 0.298 32.017 31.700 0.032 0.000 0.785 160 A N 2.166 125.022 122.820 0.060 0.000 2.573 160 A HA 0.546 4.866 4.320 0.000 0.000 0.299 160 A C -0.453 177.162 177.584 0.053 0.000 1.060 160 A CA -0.534 51.548 52.037 0.075 0.000 0.736 160 A CB 0.727 19.833 19.000 0.176 0.000 1.280 160 A HN 0.429 nan 8.150 nan 0.000 0.401 161 S N 1.462 117.185 115.700 0.039 0.000 2.651 161 S HA 0.838 5.308 4.470 0.000 0.000 0.291 161 S C -0.528 174.108 174.600 0.060 0.000 1.141 161 S CA -0.583 57.647 58.200 0.051 0.000 1.027 161 S CB 1.584 64.808 63.200 0.039 0.000 1.043 161 S HN 0.724 nan 8.310 nan 0.000 0.530 162 Q N 0.436 120.306 119.800 0.117 0.000 2.269 162 Q HA 0.330 4.670 4.340 0.000 0.000 0.263 162 Q C -0.560 175.581 176.000 0.234 0.000 0.983 162 Q CA -0.381 55.507 55.803 0.141 0.000 0.777 162 Q CB 2.166 31.047 28.738 0.239 0.000 1.273 162 Q HN 0.754 nan 8.270 nan 0.000 0.440 163 K N 1.298 121.717 120.400 0.032 0.000 2.393 163 K HA 0.068 4.388 4.320 0.000 0.000 0.193 163 K C -0.022 176.236 176.600 -0.569 0.000 1.026 163 K CA 0.630 56.888 56.287 -0.048 0.000 1.064 163 K CB 0.452 32.911 32.500 -0.068 0.000 0.833 163 K HN 0.422 nan 8.250 nan 0.000 0.521 164 K N -1.469 118.534 120.400 -0.661 0.000 2.607 164 K HA 0.171 4.491 4.320 0.000 0.000 0.287 164 K C 0.182 176.483 176.600 -0.499 0.000 0.996 164 K CA -0.729 54.956 56.287 -1.004 0.000 0.876 164 K CB 0.568 32.720 32.500 -0.581 0.000 1.496 164 K HN -0.176 nan 8.250 nan 0.000 0.415 165 I N 1.160 121.543 120.570 -0.312 0.000 2.264 165 I HA -0.250 3.920 4.170 0.000 0.000 0.248 165 I C 0.511 176.610 176.117 -0.030 0.000 1.111 165 I CA 1.522 62.819 61.300 -0.005 0.000 1.382 165 I CB -0.070 37.972 38.000 0.070 0.000 1.060 165 I HN 0.771 nan 8.210 nan 0.000 0.418 166 N N 0.528 119.177 118.700 -0.084 0.000 3.052 166 N HA 0.111 4.851 4.740 0.000 0.000 0.302 166 N C -0.564 174.897 175.510 -0.081 0.000 1.332 166 N CA 0.005 53.020 53.050 -0.059 0.000 1.129 166 N CB 0.451 38.903 38.487 -0.059 0.000 1.436 166 N HN 0.173 nan 8.380 nan 0.000 0.536 167 S N -1.043 114.611 115.700 -0.077 0.000 2.537 167 S HA 0.774 5.245 4.470 0.000 0.000 0.271 167 S C -1.387 173.163 174.600 -0.082 0.000 1.148 167 S CA -0.538 57.605 58.200 -0.095 0.000 0.868 167 S CB 1.260 64.395 63.200 -0.110 0.000 1.115 167 S HN 0.537 nan 8.310 nan 0.000 0.461 168 G N 1.876 110.604 108.800 -0.121 0.000 2.608 168 G HA2 0.516 4.476 3.960 0.000 0.000 0.285 168 G HA3 0.516 4.476 3.960 0.000 0.000 0.285 168 G C -1.712 173.111 174.900 -0.129 0.000 1.407 168 G CA -0.297 44.737 45.100 -0.109 0.000 1.276 168 G HN 0.798 nan 8.290 nan 0.000 0.587 169 V N 4.170 124.048 119.914 -0.060 0.000 2.350 169 V HA 0.339 4.459 4.120 0.000 0.000 0.276 169 V C 0.757 176.825 176.094 -0.042 0.000 1.028 169 V CA -0.821 61.444 62.300 -0.059 0.000 0.860 169 V CB 1.478 33.279 31.823 -0.037 0.000 0.990 169 V HN 0.724 nan 8.190 nan 0.000 0.453 170 L N 5.251 126.429 121.223 -0.075 0.000 2.462 170 L HA 0.112 4.452 4.340 0.000 0.000 0.272 170 L C 1.268 178.059 176.870 -0.132 0.000 1.166 170 L CA 0.133 54.918 54.840 -0.092 0.000 0.880 170 L CB 1.229 43.129 42.059 -0.265 0.000 1.142 170 L HN 0.773 nan 8.230 nan 0.000 0.473 171 Q N 4.110 123.856 119.800 -0.090 0.000 2.134 171 Q HA 0.085 4.425 4.340 0.000 0.000 0.195 171 Q C 0.179 176.115 176.000 -0.107 0.000 0.958 171 Q CA 0.909 56.666 55.803 -0.077 0.000 0.840 171 Q CB 0.192 28.914 28.738 -0.027 0.000 0.918 171 Q HN 0.617 nan 8.270 nan 0.000 0.467 172 R N -1.226 119.203 120.500 -0.117 0.000 2.664 172 R HA 0.165 4.505 4.340 0.000 0.000 0.266 172 R C -1.797 174.455 176.300 -0.080 0.000 1.046 172 R CA -0.721 55.310 56.100 -0.115 0.000 0.885 172 R CB -0.549 29.751 30.300 0.001 0.000 1.254 172 R HN 0.022 nan 8.270 nan 0.000 0.465 173 W N 1.872 123.193 121.300 0.035 0.000 2.181 173 W HA 0.376 5.036 4.660 0.000 0.000 0.335 173 W C 0.798 177.372 176.519 0.093 0.000 1.310 173 W CA 0.703 58.057 57.345 0.016 0.000 1.226 173 W CB 1.082 30.555 29.460 0.022 0.000 1.155 173 W HN 0.768 nan 8.180 nan 0.000 0.565 174 T N -1.310 113.554 114.554 0.517 0.000 2.742 174 T HA 0.454 4.804 4.350 0.000 0.000 0.282 174 T C -0.326 174.615 174.700 0.401 0.000 1.025 174 T CA -1.160 61.163 62.100 0.372 0.000 1.020 174 T CB 1.545 70.587 68.868 0.289 0.000 1.317 174 T HN 0.481 nan 8.240 nan 0.000 0.538 175 K N 0.315 120.842 120.400 0.212 0.000 3.071 175 K HA -0.171 4.149 4.320 0.000 0.000 0.265 175 K C 1.048 177.652 176.600 0.008 0.000 1.060 175 K CA 0.716 57.082 56.287 0.131 0.000 0.767 175 K CB -2.017 30.629 32.500 0.243 0.000 1.241 175 K HN 1.565 nan 8.250 nan 0.000 0.486 176 G N -0.520 108.261 108.800 -0.032 0.000 2.345 176 G HA2 -0.330 3.630 3.960 0.000 0.000 0.218 176 G HA3 -0.330 3.630 3.960 0.000 0.000 0.218 176 G C 0.276 175.043 174.900 -0.220 0.000 1.058 176 G CA 0.030 45.027 45.100 -0.172 0.000 0.632 176 G HN 0.236 nan 8.290 nan 0.000 0.508 177 F N 1.608 121.428 119.950 -0.216 0.000 2.496 177 F HA 0.514 5.041 4.527 0.000 0.000 0.344 177 F C 0.869 176.330 175.800 -0.565 0.000 1.155 177 F CA 1.115 58.784 58.000 -0.552 0.000 1.302 177 F CB 0.856 39.239 39.000 -1.029 0.000 1.159 177 F HN 0.065 nan 8.300 nan 0.000 0.595 178 D N 3.028 123.139 120.400 -0.483 0.000 3.361 178 D HA 0.232 4.872 4.640 0.000 0.000 0.246 178 D C -1.111 175.023 176.300 -0.277 0.000 1.395 178 D CA -0.039 53.783 54.000 -0.298 0.000 0.839 178 D CB -0.084 40.658 40.800 -0.097 0.000 1.469 178 D HN 0.279 nan 8.370 nan 0.000 0.636 179 I N 1.008 121.315 120.570 -0.438 0.000 2.378 179 I HA 0.296 4.466 4.170 0.000 0.000 0.291 179 I C 0.834 177.090 176.117 0.231 0.000 0.992 179 I CA -0.824 60.411 61.300 -0.108 0.000 1.154 179 I CB 1.897 39.768 38.000 -0.215 0.000 1.315 179 I HN -0.013 nan 8.210 nan 0.000 0.448 180 E N 3.580 123.878 120.200 0.163 0.000 2.390 180 E HA 0.174 4.524 4.350 0.000 0.000 0.261 180 E C 0.782 177.521 176.600 0.232 0.000 1.076 180 E CA 0.415 56.927 56.400 0.186 0.000 0.905 180 E CB 0.821 30.593 29.700 0.119 0.000 0.984 180 E HN 0.923 nan 8.360 nan 0.000 0.427 181 G N 1.664 110.587 108.800 0.205 0.000 2.356 181 G HA2 -0.242 3.718 3.960 0.000 0.000 0.296 181 G HA3 -0.242 3.718 3.960 0.000 0.000 0.296 181 G C 0.465 175.575 174.900 0.351 0.000 1.022 181 G CA 0.511 45.756 45.100 0.241 0.000 0.961 181 G HN 0.345 nan 8.290 nan 0.000 0.510 182 V N -0.948 119.126 119.914 0.267 0.000 3.090 182 V HA 0.161 4.282 4.120 0.000 0.000 0.237 182 V C 1.411 177.472 176.094 -0.055 0.000 1.209 182 V CA 0.897 63.357 62.300 0.266 0.000 1.209 182 V CB 0.039 32.121 31.823 0.433 0.000 0.971 182 V HN 0.504 nan 8.190 nan 0.000 0.477 183 E N 1.023 121.115 120.200 -0.180 0.000 2.465 183 E HA 0.297 4.647 4.350 0.000 0.000 0.260 183 E C 1.203 177.620 176.600 -0.304 0.000 0.980 183 E CA 0.939 57.176 56.400 -0.271 0.000 0.927 183 E CB 0.279 29.860 29.700 -0.198 0.000 0.934 183 E HN 0.540 nan 8.360 nan 0.000 0.459 184 G N 2.855 111.507 108.800 -0.247 0.000 2.176 184 G HA2 -0.270 3.690 3.960 0.000 0.000 0.253 184 G HA3 -0.270 3.690 3.960 0.000 0.000 0.253 184 G C -0.156 174.614 174.900 -0.216 0.000 0.979 184 G CA 0.249 45.207 45.100 -0.237 0.000 0.641 184 G HN 0.733 nan 8.290 nan 0.000 0.530 185 H N -0.402 118.632 119.070 -0.061 0.000 2.670 185 H HA 0.534 5.091 4.556 0.000 0.000 0.361 185 H C -0.952 174.310 175.328 -0.110 0.000 1.169 185 H CA -0.843 55.164 56.048 -0.068 0.000 1.198 185 H CB 1.715 31.451 29.762 -0.044 0.000 1.700 185 H HN 0.077 nan 8.280 nan 0.000 0.542 186 D N 1.768 122.176 120.400 0.014 0.000 2.325 186 D HA -0.013 4.627 4.640 0.000 0.000 0.251 186 D C 1.182 177.357 176.300 -0.208 0.000 1.196 186 D CA -0.196 53.740 54.000 -0.106 0.000 0.866 186 D CB 1.389 42.122 40.800 -0.111 0.000 1.101 186 D HN 0.427 nan 8.370 nan 0.000 0.476 187 V N 2.498 122.226 119.914 -0.309 0.000 2.970 187 V HA -0.104 4.016 4.120 0.000 0.000 0.260 187 V C 1.879 177.636 176.094 -0.562 0.000 1.100 187 V CA 0.703 62.693 62.300 -0.516 0.000 1.122 187 V CB -0.452 31.001 31.823 -0.617 0.000 0.721 187 V HN 0.394 nan 8.190 nan 0.000 0.483 188 V N 0.940 120.657 119.914 -0.329 0.000 2.307 188 V HA -0.076 4.044 4.120 0.000 0.000 0.245 188 V C 0.512 176.438 176.094 -0.280 0.000 1.045 188 V CA 2.723 64.887 62.300 -0.227 0.000 1.024 188 V CB -1.761 29.992 31.823 -0.116 0.000 0.651 188 V HN 0.515 nan 8.190 nan 0.000 0.449 189 P HA -0.127 nan 4.420 nan 0.000 0.218 189 P C 1.883 178.990 177.300 -0.322 0.000 1.149 189 P CA 1.490 64.447 63.100 -0.239 0.000 0.817 189 P CB -0.099 31.485 31.700 -0.193 0.000 0.785 190 M N -1.595 117.708 119.600 -0.495 0.000 2.086 190 M HA -0.144 4.336 4.480 0.000 0.000 0.261 190 M C 2.204 178.072 176.300 -0.720 0.000 1.067 190 M CA 1.758 56.640 55.300 -0.697 0.000 1.116 190 M CB -1.017 30.907 32.600 -1.127 0.000 1.348 190 M HN -0.050 nan 8.290 nan 0.000 0.407 191 L N 0.058 120.782 121.223 -0.831 0.000 2.027 191 L HA -0.253 4.087 4.340 0.000 0.000 0.206 191 L C 2.572 179.308 176.870 -0.225 0.000 1.074 191 L CA 1.758 56.349 54.840 -0.415 0.000 0.745 191 L CB -0.384 41.410 42.059 -0.443 0.000 0.898 191 L HN 0.344 nan 8.230 nan 0.000 0.433 192 Q N 0.699 120.360 119.800 -0.232 0.000 2.084 192 Q HA -0.284 4.056 4.340 0.000 0.000 0.202 192 Q C 1.914 177.845 176.000 -0.116 0.000 0.978 192 Q CA 2.371 58.085 55.803 -0.148 0.000 0.844 192 Q CB -0.152 28.506 28.738 -0.133 0.000 0.898 192 Q HN 0.711 nan 8.270 nan 0.000 0.426 193 E N -0.979 119.143 120.200 -0.130 0.000 2.153 193 E HA -0.241 4.109 4.350 0.000 0.000 0.194 193 E C 1.790 178.361 176.600 -0.048 0.000 0.988 193 E CA 1.178 57.527 56.400 -0.086 0.000 0.811 193 E CB -0.212 29.434 29.700 -0.089 0.000 0.746 193 E HN 0.277 nan 8.360 nan 0.000 0.466 194 Q N 0.520 120.301 119.800 -0.031 0.000 2.167 194 Q HA -0.001 4.339 4.340 0.000 0.000 0.202 194 Q C 2.280 178.275 176.000 -0.007 0.000 0.970 194 Q CA 0.926 56.738 55.803 0.015 0.000 0.855 194 Q CB -0.114 28.677 28.738 0.089 0.000 0.911 194 Q HN 0.493 nan 8.270 nan 0.000 0.438 195 I N 0.879 121.429 120.570 -0.032 0.000 2.202 195 I HA -0.241 3.930 4.170 0.000 0.000 0.242 195 I C 2.082 178.179 176.117 -0.033 0.000 1.091 195 I CA 0.920 62.197 61.300 -0.038 0.000 1.368 195 I CB -0.089 37.877 38.000 -0.057 0.000 1.058 195 I HN 0.118 nan 8.210 nan 0.000 0.410 196 E N 1.239 121.416 120.200 -0.038 0.000 2.085 196 E HA -0.233 4.117 4.350 0.000 0.000 0.194 196 E C 2.053 178.639 176.600 -0.023 0.000 0.994 196 E CA 1.252 57.632 56.400 -0.033 0.000 0.801 196 E CB -0.341 29.335 29.700 -0.040 0.000 0.743 196 E HN 0.506 nan 8.360 nan 0.000 0.453 197 K N 0.293 120.683 120.400 -0.017 0.000 2.211 197 K HA -0.023 4.297 4.320 0.000 0.000 0.203 197 K C 2.094 178.690 176.600 -0.006 0.000 1.050 197 K CA 0.582 56.864 56.287 -0.008 0.000 0.945 197 K CB 0.014 32.515 32.500 0.001 0.000 0.732 197 K HN 0.179 nan 8.250 nan 0.000 0.451 198 L N 0.463 121.681 121.223 -0.009 0.000 2.592 198 L HA 0.049 4.389 4.340 0.000 0.000 0.227 198 L C 0.034 176.898 176.870 -0.011 0.000 1.127 198 L CA -0.135 54.699 54.840 -0.010 0.000 0.884 198 L CB -0.342 41.709 42.059 -0.014 0.000 1.065 198 L HN 0.248 nan 8.230 nan 0.000 0.457 199 N N 1.003 119.694 118.700 -0.014 0.000 2.754 199 N HA -0.203 4.537 4.740 0.000 0.000 0.248 199 N C -0.437 175.064 175.510 -0.015 0.000 1.093 199 N CA 0.421 53.462 53.050 -0.015 0.000 0.699 199 N CB -1.262 37.217 38.487 -0.012 0.000 1.016 199 N HN 0.294 nan 8.380 nan 0.000 0.552 200 I N 0.526 121.086 120.570 -0.016 0.000 2.365 200 I HA 0.268 4.438 4.170 0.000 0.000 0.291 200 I C -1.433 174.670 176.117 -0.023 0.000 1.004 200 I CA -1.936 59.358 61.300 -0.011 0.000 1.311 200 I CB 1.134 39.131 38.000 -0.005 0.000 1.401 200 I HN -0.019 nan 8.210 nan 0.000 0.491 201 P HA 0.223 nan 4.420 nan 0.000 0.235 201 P C -0.471 176.791 177.300 -0.063 0.000 1.720 201 P CA 0.595 63.663 63.100 -0.054 0.000 1.003 201 P CB -0.378 31.275 31.700 -0.078 0.000 1.968 202 I N 1.340 121.883 120.570 -0.044 0.000 2.582 202 I HA 0.292 4.462 4.170 0.000 0.000 0.292 202 I C -0.013 176.081 176.117 -0.037 0.000 1.066 202 I CA -0.782 60.495 61.300 -0.038 0.000 1.053 202 I CB 2.233 40.217 38.000 -0.026 0.000 1.241 202 I HN -0.127 nan 8.210 nan 0.000 0.421 203 N N 5.096 123.780 118.700 -0.028 0.000 2.446 203 N HA 0.285 5.025 4.740 0.000 0.000 0.265 203 N C -0.717 174.786 175.510 -0.011 0.000 0.975 203 N CA -0.376 52.660 53.050 -0.024 0.000 0.928 203 N CB 2.376 40.854 38.487 -0.015 0.000 1.160 203 N HN 0.188 nan 8.380 nan 0.000 0.495 204 V N 3.048 122.947 119.914 -0.026 0.000 2.421 204 V HA 0.021 4.142 4.120 0.000 0.000 0.271 204 V C 1.601 177.698 176.094 0.005 0.000 1.031 204 V CA -0.071 62.225 62.300 -0.007 0.000 1.032 204 V CB 0.519 32.323 31.823 -0.031 0.000 1.009 204 V HN 0.559 nan 8.190 nan 0.000 0.477 205 V N 2.031 121.963 119.914 0.029 0.000 3.661 205 V HA 0.758 4.878 4.120 0.000 0.000 0.271 205 V C 0.604 176.712 176.094 0.023 0.000 1.315 205 V CA 0.606 62.917 62.300 0.019 0.000 1.072 205 V CB 0.222 32.064 31.823 0.031 0.000 0.830 205 V HN 0.848 nan 8.190 nan 0.000 0.443 206 A N 0.576 123.426 122.820 0.051 0.000 2.540 206 A HA 0.786 5.107 4.320 0.000 0.000 0.297 206 A C -1.531 176.110 177.584 0.095 0.000 1.056 206 A CA -0.430 51.640 52.037 0.055 0.000 0.700 206 A CB 1.943 20.969 19.000 0.043 0.000 1.280 206 A HN 0.566 nan 8.150 nan 0.000 0.398 207 L N 3.793 125.055 121.223 0.064 0.000 2.341 207 L HA 0.920 5.260 4.340 0.000 0.000 0.278 207 L C -0.724 176.159 176.870 0.021 0.000 1.005 207 L CA -0.722 54.139 54.840 0.035 0.000 0.818 207 L CB 1.131 43.170 42.059 -0.034 0.000 1.259 207 L HN 0.785 nan 8.230 nan 0.000 0.418 208 I N 0.872 121.444 120.570 0.004 0.000 2.934 208 I HA 0.583 4.753 4.170 0.000 0.000 0.306 208 I C -0.976 175.124 176.117 -0.027 0.000 1.110 208 I CA -0.905 60.393 61.300 -0.004 0.000 1.019 208 I CB 2.115 40.111 38.000 -0.006 0.000 1.227 208 I HN 0.631 nan 8.210 nan 0.000 0.434 209 N N 2.113 120.787 118.700 -0.043 0.000 2.513 209 N HA 0.095 4.836 4.740 0.000 0.000 0.274 209 N C 0.791 176.258 175.510 -0.072 0.000 1.189 209 N CA -0.054 52.953 53.050 -0.072 0.000 0.975 209 N CB 0.959 39.398 38.487 -0.079 0.000 1.157 209 N HN 0.812 nan 8.380 nan 0.000 0.465 210 D N 0.970 121.320 120.400 -0.084 0.000 2.149 210 D HA -0.170 4.470 4.640 0.000 0.000 0.198 210 D C 1.015 177.279 176.300 -0.060 0.000 0.990 210 D CA 1.682 55.644 54.000 -0.063 0.000 0.839 210 D CB -0.828 39.934 40.800 -0.063 0.000 0.948 210 D HN 0.556 nan 8.370 nan 0.000 0.460 211 T N 0.082 114.591 114.554 -0.074 0.000 2.821 211 T HA -0.097 4.253 4.350 0.000 0.000 0.267 211 T C 1.962 176.615 174.700 -0.079 0.000 1.046 211 T CA 1.946 64.002 62.100 -0.074 0.000 1.139 211 T CB -0.558 68.251 68.868 -0.097 0.000 0.871 211 T HN 0.286 nan 8.240 nan 0.000 0.454 212 T N 1.300 115.797 114.554 -0.095 0.000 2.746 212 T HA -0.037 4.313 4.350 0.000 0.000 0.267 212 T C 2.319 176.969 174.700 -0.083 0.000 1.039 212 T CA 1.266 63.296 62.100 -0.117 0.000 1.142 212 T CB -0.867 67.927 68.868 -0.124 0.000 0.866 212 T HN 0.513 nan 8.240 nan 0.000 0.444 213 G N 1.258 110.023 108.800 -0.059 0.000 2.446 213 G HA2 -0.239 3.721 3.960 0.000 0.000 0.217 213 G HA3 -0.239 3.721 3.960 0.000 0.000 0.217 213 G C 1.727 176.609 174.900 -0.031 0.000 1.168 213 G CA 1.502 46.576 45.100 -0.043 0.000 0.771 213 G HN 0.443 nan 8.290 nan 0.000 0.551 214 T N 1.170 115.706 114.554 -0.029 0.000 2.652 214 T HA -0.182 4.169 4.350 0.000 0.000 0.267 214 T C 2.248 176.951 174.700 0.006 0.000 1.039 214 T CA 1.375 63.467 62.100 -0.013 0.000 1.153 214 T CB -0.354 68.500 68.868 -0.023 0.000 0.863 214 T HN 0.156 nan 8.240 nan 0.000 0.428 215 L N 1.314 122.535 121.223 -0.004 0.000 1.990 215 L HA -0.095 4.245 4.340 0.000 0.000 0.213 215 L C 2.416 179.334 176.870 0.079 0.000 1.072 215 L CA 1.789 56.645 54.840 0.028 0.000 0.755 215 L CB -0.847 41.194 42.059 -0.029 0.000 0.889 215 L HN 0.117 nan 8.230 nan 0.000 0.432 216 V N -0.061 119.885 119.914 0.055 0.000 2.379 216 V HA -0.159 3.961 4.120 0.000 0.000 0.245 216 V C 2.798 178.959 176.094 0.113 0.000 1.044 216 V CA 1.363 63.734 62.300 0.117 0.000 1.036 216 V CB -1.309 30.556 31.823 0.070 0.000 0.664 216 V HN 0.617 nan 8.190 nan 0.000 0.453 217 A N -0.001 122.846 122.820 0.045 0.000 1.908 217 A HA -0.225 4.095 4.320 0.000 0.000 0.218 217 A C 2.483 180.154 177.584 0.144 0.000 1.181 217 A CA 2.482 54.538 52.037 0.031 0.000 0.627 217 A CB -0.706 18.263 19.000 -0.051 0.000 0.818 217 A HN 0.513 nan 8.150 nan 0.000 0.445 218 S N -0.716 115.057 115.700 0.121 0.000 2.387 218 S HA -0.078 4.392 4.470 0.000 0.000 0.226 218 S C 1.785 176.476 174.600 0.151 0.000 1.026 218 S CA 1.170 59.451 58.200 0.135 0.000 0.972 218 S CB -0.370 62.884 63.200 0.090 0.000 0.814 218 S HN 0.444 nan 8.310 nan 0.000 0.477 219 L N 0.843 122.158 121.223 0.154 0.000 2.191 219 L HA -0.065 4.275 4.340 0.000 0.000 0.212 219 L C 1.935 178.926 176.870 0.201 0.000 1.103 219 L CA 1.566 56.491 54.840 0.142 0.000 0.769 219 L CB -0.714 41.441 42.059 0.160 0.000 0.908 219 L HN 0.379 nan 8.230 nan 0.000 0.438 220 Y N -0.129 120.253 120.300 0.137 0.000 2.220 220 Y HA -0.203 4.347 4.550 0.000 0.000 0.291 220 Y C 2.567 178.647 175.900 0.302 0.000 1.129 220 Y CA 2.176 60.390 58.100 0.190 0.000 1.161 220 Y CB -0.442 38.093 38.460 0.124 0.000 0.997 220 Y HN 0.372 nan 8.280 nan 0.000 0.522 221 T N -2.962 111.764 114.554 0.287 0.000 3.054 221 T HA 0.025 4.375 4.350 0.000 0.000 0.259 221 T C 0.271 174.985 174.700 0.024 0.000 1.092 221 T CA 0.705 62.913 62.100 0.179 0.000 1.121 221 T CB -0.019 69.032 68.868 0.305 0.000 0.912 221 T HN 0.262 nan 8.240 nan 0.000 0.489 222 D N 1.649 122.068 120.400 0.030 0.000 2.346 222 D HA 0.359 4.999 4.640 0.000 0.000 0.255 222 D C -2.423 173.837 176.300 -0.068 0.000 1.276 222 D CA -2.588 51.398 54.000 -0.023 0.000 0.941 222 D CB 1.792 42.641 40.800 0.081 0.000 1.199 222 D HN -0.086 nan 8.370 nan 0.000 0.537 223 P HA -0.123 nan 4.420 nan 0.000 0.224 223 P C 0.822 178.002 177.300 -0.201 0.000 1.142 223 P CA 1.053 64.051 63.100 -0.171 0.000 0.778 223 P CB 0.244 31.810 31.700 -0.224 0.000 0.764 224 Q N -1.714 117.942 119.800 -0.240 0.000 2.403 224 Q HA 0.050 4.390 4.340 0.000 0.000 0.203 224 Q C 0.198 176.055 176.000 -0.237 0.000 0.932 224 Q CA 0.327 55.917 55.803 -0.355 0.000 0.945 224 Q CB -0.333 27.951 28.738 -0.756 0.000 1.045 224 Q HN 0.196 nan 8.270 nan 0.000 0.511 225 T N 1.315 115.809 114.554 -0.101 0.000 2.888 225 T HA 0.068 4.418 4.350 0.000 0.000 0.301 225 T C 0.829 175.473 174.700 -0.093 0.000 1.001 225 T CA 0.393 62.484 62.100 -0.015 0.000 1.147 225 T CB 0.770 69.663 68.868 0.042 0.000 0.931 225 T HN 0.119 nan 8.240 nan 0.000 0.541 226 K N 1.861 122.206 120.400 -0.092 0.000 2.440 226 K HA 0.339 4.659 4.320 0.000 0.000 0.207 226 K C 0.093 176.741 176.600 0.079 0.000 1.112 226 K CA -0.008 56.171 56.287 -0.180 0.000 1.036 226 K CB 0.773 32.941 32.500 -0.553 0.000 0.935 226 K HN 0.554 nan 8.250 nan 0.000 0.564 227 M N -0.139 119.520 119.600 0.098 0.000 2.490 227 M HA 0.348 4.828 4.480 0.000 0.000 0.286 227 M C -1.810 174.538 176.300 0.080 0.000 1.185 227 M CA -0.611 54.774 55.300 0.141 0.000 0.912 227 M CB 2.308 34.997 32.600 0.148 0.000 1.744 227 M HN 0.053 nan 8.290 nan 0.000 0.494 228 G N 3.467 112.304 108.800 0.061 0.000 2.415 228 G HA2 0.736 4.696 3.960 0.000 0.000 0.327 228 G HA3 0.736 4.696 3.960 0.000 0.000 0.327 228 G C -1.972 172.931 174.900 0.005 0.000 1.182 228 G CA -0.572 44.537 45.100 0.014 0.000 0.924 228 G HN 0.832 nan 8.290 nan 0.000 0.470 229 I N 1.753 122.310 120.570 -0.021 0.000 2.686 229 I HA 0.526 4.696 4.170 0.000 0.000 0.295 229 I C -1.376 174.726 176.117 -0.025 0.000 1.114 229 I CA -1.308 59.995 61.300 0.005 0.000 1.038 229 I CB 2.144 40.181 38.000 0.063 0.000 1.238 229 I HN 0.172 nan 8.210 nan 0.000 0.420 230 I N 7.979 128.560 120.570 0.017 0.000 2.406 230 I HA 0.427 4.597 4.170 0.000 0.000 0.290 230 I C -0.431 175.726 176.117 0.066 0.000 0.999 230 I CA -0.543 60.767 61.300 0.017 0.000 1.124 230 I CB 1.433 39.439 38.000 0.009 0.000 1.289 230 I HN 0.434 nan 8.210 nan 0.000 0.441 231 I N 5.632 126.234 120.570 0.054 0.000 2.563 231 I HA 0.589 4.759 4.170 0.000 0.000 0.276 231 I C 0.421 176.546 176.117 0.013 0.000 1.074 231 I CA -0.019 61.313 61.300 0.054 0.000 1.124 231 I CB 1.558 39.596 38.000 0.063 0.000 1.225 231 I HN 0.741 nan 8.210 nan 0.000 0.482 232 G N 2.051 110.868 108.800 0.028 0.000 2.896 232 G HA2 0.264 4.224 3.960 0.000 0.000 0.247 232 G HA3 0.264 4.224 3.960 0.000 0.000 0.247 232 G C 0.741 175.671 174.900 0.049 0.000 1.187 232 G CA 0.436 45.553 45.100 0.030 0.000 0.837 232 G HN 0.337 nan 8.290 nan 0.000 0.559 233 T N -1.480 113.106 114.554 0.053 0.000 2.867 233 T HA 0.217 4.567 4.350 0.000 0.000 0.268 233 T C 1.396 176.113 174.700 0.028 0.000 1.057 233 T CA 1.334 63.468 62.100 0.058 0.000 1.136 233 T CB -0.507 68.388 68.868 0.044 0.000 0.874 233 T HN 0.966 nan 8.240 nan 0.000 0.466 234 G N 0.388 109.199 108.800 0.018 0.000 2.476 234 G HA2 0.520 4.480 3.960 0.000 0.000 0.269 234 G HA3 0.520 4.480 3.960 0.000 0.000 0.269 234 G C -1.316 173.631 174.900 0.078 0.000 1.195 234 G CA -0.479 44.641 45.100 0.034 0.000 0.843 234 G HN 0.355 nan 8.290 nan 0.000 0.545 235 V N 2.373 122.359 119.914 0.120 0.000 2.569 235 V HA 0.591 4.712 4.120 0.000 0.000 0.301 235 V C -0.585 175.638 176.094 0.216 0.000 1.044 235 V CA -0.799 61.625 62.300 0.207 0.000 0.874 235 V CB 1.854 33.818 31.823 0.235 0.000 1.002 235 V HN 0.886 nan 8.190 nan 0.000 0.424 236 N N 2.453 121.228 118.700 0.125 0.000 3.127 236 N HA 0.736 5.477 4.740 0.000 0.000 0.239 236 N C -0.843 174.442 175.510 -0.375 0.000 1.407 236 N CA 0.192 53.105 53.050 -0.229 0.000 0.891 236 N CB 2.429 40.830 38.487 -0.143 0.000 1.447 236 N HN 0.884 nan 8.380 nan 0.000 0.507 237 G N -0.580 107.782 108.800 -0.731 0.000 2.706 237 G HA2 0.851 4.811 3.960 0.000 0.000 0.297 237 G HA3 0.851 4.811 3.960 0.000 0.000 0.297 237 G C -1.801 172.993 174.900 -0.177 0.000 1.403 237 G CA -0.176 44.733 45.100 -0.319 0.000 0.954 237 G HN 0.644 nan 8.290 nan 0.000 0.500 238 A N 0.427 123.238 122.820 -0.014 0.000 2.475 238 A HA 0.991 5.311 4.320 0.000 0.000 0.301 238 A C -1.088 176.574 177.584 0.130 0.000 1.059 238 A CA -0.788 51.250 52.037 0.002 0.000 0.710 238 A CB 1.388 20.326 19.000 -0.104 0.000 1.288 238 A HN 2.046 nan 8.150 nan 0.000 0.408 239 Y N -1.353 118.902 120.300 -0.076 0.000 2.725 239 Y HA 0.721 5.271 4.550 0.000 0.000 0.333 239 Y C -1.795 174.100 175.900 -0.009 0.000 1.242 239 Y CA -1.563 56.555 58.100 0.030 0.000 1.059 239 Y CB 0.864 39.407 38.460 0.138 0.000 1.306 239 Y HN 0.518 nan 8.280 nan 0.000 0.454 240 Y N 2.316 122.620 120.300 0.007 0.000 2.383 240 Y HA 0.270 4.820 4.550 0.000 0.000 0.344 240 Y C 0.437 176.318 175.900 -0.032 0.000 0.986 240 Y CA -0.013 58.049 58.100 -0.063 0.000 1.175 240 Y CB 0.695 39.282 38.460 0.210 0.000 1.152 240 Y HN 0.662 nan 8.280 nan 0.000 0.511 241 D N 1.106 121.429 120.400 -0.128 0.000 2.530 241 D HA 0.455 5.096 4.640 0.000 0.000 0.282 241 D C -1.125 175.235 176.300 0.099 0.000 1.204 241 D CA -0.190 53.855 54.000 0.075 0.000 1.093 241 D CB 1.899 42.703 40.800 0.006 0.000 1.154 241 D HN 0.334 nan 8.370 nan 0.000 0.593 242 V N 0.373 120.327 119.914 0.066 0.000 2.925 242 V HA 0.196 4.316 4.120 0.000 0.000 0.311 242 V C 1.052 177.151 176.094 0.009 0.000 1.104 242 V CA -0.620 61.709 62.300 0.048 0.000 0.954 242 V CB 1.904 33.767 31.823 0.068 0.000 1.022 242 V HN 0.410 nan 8.190 nan 0.000 0.427 243 V N 3.854 123.766 119.914 -0.003 0.000 2.407 243 V HA -0.134 3.986 4.120 0.000 0.000 0.248 243 V C 2.503 178.593 176.094 -0.006 0.000 1.055 243 V CA 2.669 64.958 62.300 -0.019 0.000 1.049 243 V CB -0.300 31.518 31.823 -0.008 0.000 0.662 243 V HN 1.124 nan 8.190 nan 0.000 0.455 244 S N 0.687 116.391 115.700 0.007 0.000 2.465 244 S HA -0.089 4.381 4.470 0.000 0.000 0.241 244 S C 1.716 176.322 174.600 0.009 0.000 1.000 244 S CA 1.193 59.398 58.200 0.010 0.000 0.964 244 S CB -0.509 62.699 63.200 0.014 0.000 0.763 244 S HN 0.593 nan 8.310 nan 0.000 0.512 245 G N 0.670 109.476 108.800 0.010 0.000 3.371 245 G HA2 0.478 4.438 3.960 0.000 0.000 0.248 245 G HA3 0.478 4.438 3.960 0.000 0.000 0.248 245 G C 0.250 175.153 174.900 0.006 0.000 1.161 245 G CA -0.414 44.693 45.100 0.013 0.000 0.796 245 G HN 0.583 nan 8.290 nan 0.000 0.539 246 I N 0.615 121.180 120.570 -0.008 0.000 2.750 246 I HA 0.165 4.335 4.170 0.000 0.000 0.279 246 I C 1.142 177.252 176.117 -0.013 0.000 1.206 246 I CA -0.290 60.996 61.300 -0.022 0.000 1.101 246 I CB 1.373 39.336 38.000 -0.062 0.000 1.431 246 I HN 0.160 nan 8.210 nan 0.000 0.551 247 E N 4.723 124.921 120.200 -0.002 0.000 2.273 247 E HA -0.229 4.121 4.350 0.000 0.000 0.198 247 E C 1.832 178.435 176.600 0.005 0.000 1.002 247 E CA 1.365 57.767 56.400 0.003 0.000 0.828 247 E CB 0.315 30.018 29.700 0.005 0.000 0.747 247 E HN 0.684 nan 8.360 nan 0.000 0.491 248 K N 0.106 120.506 120.400 0.000 0.000 2.432 248 K HA -0.057 4.263 4.320 0.000 0.000 0.196 248 K C 1.707 178.317 176.600 0.018 0.000 1.038 248 K CA 0.604 56.895 56.287 0.007 0.000 0.986 248 K CB 0.031 32.533 32.500 0.003 0.000 0.782 248 K HN 0.213 nan 8.250 nan 0.000 0.485 249 L N 1.426 122.656 121.223 0.013 0.000 2.567 249 L HA 0.135 4.476 4.340 0.000 0.000 0.225 249 L C 0.160 177.058 176.870 0.045 0.000 1.119 249 L CA -0.120 54.744 54.840 0.040 0.000 0.871 249 L CB -0.037 42.037 42.059 0.025 0.000 1.036 249 L HN 0.191 nan 8.230 nan 0.000 0.459 250 E N 0.595 120.812 120.200 0.028 0.000 2.480 250 E HA 0.131 4.481 4.350 0.000 0.000 0.258 250 E C 1.107 177.725 176.600 0.029 0.000 0.984 250 E CA 0.752 57.168 56.400 0.026 0.000 0.930 250 E CB 0.396 30.107 29.700 0.018 0.000 0.936 250 E HN 0.324 nan 8.360 nan 0.000 0.466 251 G N 2.880 111.698 108.800 0.029 0.000 2.199 251 G HA2 -0.290 3.670 3.960 0.000 0.000 0.254 251 G HA3 -0.290 3.670 3.960 0.000 0.000 0.254 251 G C 0.670 175.589 174.900 0.032 0.000 0.982 251 G CA 0.175 45.291 45.100 0.026 0.000 0.632 251 G HN 0.526 nan 8.290 nan 0.000 0.529 252 L N -0.517 120.734 121.223 0.048 0.000 2.609 252 L HA 0.396 4.736 4.340 0.000 0.000 0.230 252 L C 0.512 177.425 176.870 0.072 0.000 1.087 252 L CA -0.151 54.725 54.840 0.060 0.000 0.874 252 L CB 0.131 42.241 42.059 0.086 0.000 1.114 252 L HN 0.098 nan 8.230 nan 0.000 0.488 253 L N 1.297 122.568 121.223 0.079 0.000 2.312 253 L HA 0.400 4.740 4.340 0.000 0.000 0.281 253 L C -1.963 174.936 176.870 0.048 0.000 1.070 253 L CA -2.070 52.825 54.840 0.090 0.000 0.805 253 L CB 0.371 42.492 42.059 0.103 0.000 1.174 253 L HN -0.198 nan 8.230 nan 0.000 0.434 254 P HA 0.083 nan 4.420 nan 0.000 0.272 254 P C 0.454 177.768 177.300 0.022 0.000 1.240 254 P CA -0.415 62.694 63.100 0.015 0.000 0.791 254 P CB 0.515 32.213 31.700 -0.003 0.000 0.978 255 E N 1.394 121.602 120.200 0.013 0.000 2.209 255 E HA -0.249 4.101 4.350 0.000 0.000 0.196 255 E C 0.716 177.325 176.600 0.015 0.000 0.993 255 E CA 1.406 57.814 56.400 0.014 0.000 0.819 255 E CB -0.342 29.362 29.700 0.008 0.000 0.745 255 E HN 0.443 nan 8.360 nan 0.000 0.477 256 D N 0.526 120.934 120.400 0.014 0.000 2.336 256 D HA -0.057 4.583 4.640 0.000 0.000 0.229 256 D C 0.525 176.840 176.300 0.024 0.000 1.061 256 D CA 0.145 54.153 54.000 0.013 0.000 0.875 256 D CB -0.159 40.644 40.800 0.006 0.000 0.904 256 D HN 0.320 nan 8.370 nan 0.000 0.525 257 I N 1.113 121.707 120.570 0.039 0.000 2.503 257 I HA 0.396 4.566 4.170 0.000 0.000 0.277 257 I C 0.767 176.910 176.117 0.043 0.000 1.078 257 I CA -0.823 60.510 61.300 0.055 0.000 1.184 257 I CB 1.479 39.546 38.000 0.112 0.000 1.353 257 I HN -0.110 nan 8.210 nan 0.000 0.490 258 G N 5.052 113.867 108.800 0.025 0.000 2.557 258 G HA2 0.403 4.363 3.960 0.000 0.000 0.302 258 G HA3 0.403 4.363 3.960 0.000 0.000 0.302 258 G C -1.996 172.914 174.900 0.017 0.000 1.311 258 G CA -1.131 43.981 45.100 0.020 0.000 1.030 258 G HN 0.262 nan 8.290 nan 0.000 0.509 259 P HA 0.041 nan 4.420 nan 0.000 0.226 259 P C 0.617 177.924 177.300 0.013 0.000 1.153 259 P CA 0.848 63.956 63.100 0.013 0.000 0.777 259 P CB 0.365 32.073 31.700 0.013 0.000 0.794 260 D N -1.482 118.925 120.400 0.011 0.000 2.339 260 D HA 0.027 4.667 4.640 0.000 0.000 0.217 260 D C 0.515 176.817 176.300 0.003 0.000 1.050 260 D CA 0.381 54.388 54.000 0.012 0.000 0.856 260 D CB -0.080 40.727 40.800 0.012 0.000 0.922 260 D HN 0.056 nan 8.370 nan 0.000 0.518 261 S N 1.668 117.366 115.700 -0.004 0.000 2.549 261 S HA 0.195 4.665 4.470 0.000 0.000 0.283 261 S C -2.421 172.165 174.600 -0.023 0.000 1.320 261 S CA -1.224 56.962 58.200 -0.024 0.000 1.058 261 S CB 0.915 64.109 63.200 -0.011 0.000 0.882 261 S HN -0.180 nan 8.310 nan 0.000 0.498 262 P HA 0.227 nan 4.420 nan 0.000 0.268 262 P C -0.796 176.530 177.300 0.043 0.000 1.208 262 P CA -0.109 62.984 63.100 -0.012 0.000 0.777 262 P CB 0.342 31.869 31.700 -0.288 0.000 0.875 263 M N 2.075 121.730 119.600 0.093 0.000 2.206 263 M HA 0.560 5.040 4.480 0.000 0.000 0.272 263 M C -1.361 174.837 176.300 -0.170 0.000 1.012 263 M CA -0.616 54.652 55.300 -0.053 0.000 0.986 263 M CB 1.394 33.890 32.600 -0.174 0.000 1.740 263 M HN 0.324 nan 8.290 nan 0.000 0.472 264 A N 5.535 128.158 122.820 -0.329 0.000 2.488 264 A HA 0.622 4.942 4.320 0.000 0.000 0.249 264 A C -0.535 176.740 177.584 -0.514 0.000 1.083 264 A CA -0.149 51.488 52.037 -0.667 0.000 0.768 264 A CB -0.069 18.460 19.000 -0.784 0.000 1.017 264 A HN 0.765 nan 8.150 nan 0.000 0.496 265 I N 2.638 122.854 120.570 -0.590 0.000 2.406 265 I HA 0.187 4.358 4.170 0.000 0.000 0.290 265 I C -0.116 175.820 176.117 -0.302 0.000 0.999 265 I CA -0.681 60.345 61.300 -0.455 0.000 1.124 265 I CB 1.555 39.215 38.000 -0.566 0.000 1.289 265 I HN 0.759 nan 8.210 nan 0.000 0.441 266 N N 4.810 123.386 118.700 -0.207 0.000 2.437 266 N HA 0.132 4.872 4.740 0.000 0.000 0.243 266 N C 0.738 176.195 175.510 -0.089 0.000 1.041 266 N CA -0.203 52.763 53.050 -0.140 0.000 0.940 266 N CB 0.827 39.240 38.487 -0.123 0.000 1.133 266 N HN 0.560 nan 8.380 nan 0.000 0.506 267 C N 1.845 121.103 119.300 -0.070 0.000 2.429 267 C HA -0.022 4.438 4.460 0.000 0.000 0.277 267 C C 0.639 175.632 174.990 0.006 0.000 1.262 267 C CA 0.231 59.253 59.018 0.006 0.000 1.733 267 C CB -0.997 26.742 27.740 -0.002 0.000 2.010 267 C HN 0.770 nan 8.230 nan 0.000 0.483 268 E N -0.149 120.006 120.200 -0.075 0.000 2.269 268 E HA -0.226 4.124 4.350 0.000 0.000 0.223 268 E C -0.036 176.661 176.600 0.162 0.000 1.244 268 E CA 0.724 57.128 56.400 0.007 0.000 0.713 268 E CB -1.680 28.036 29.700 0.027 0.000 1.178 268 E HN 0.967 nan 8.360 nan 0.000 0.370 269 Y N -2.084 118.336 120.300 0.199 0.000 2.465 269 Y HA 0.461 5.011 4.550 0.000 0.000 0.311 269 Y C 1.682 177.799 175.900 0.362 0.000 1.204 269 Y CA -0.315 57.935 58.100 0.250 0.000 1.272 269 Y CB -0.790 37.858 38.460 0.315 0.000 1.083 269 Y HN 0.004 nan 8.280 nan 0.000 0.508 270 G N 0.550 109.718 108.800 0.613 0.000 2.498 270 G HA2 -0.214 3.746 3.960 0.000 0.000 0.219 270 G HA3 -0.214 3.746 3.960 0.000 0.000 0.219 270 G C 1.439 176.559 174.900 0.366 0.000 1.119 270 G CA 0.924 46.323 45.100 0.500 0.000 0.766 270 G HN 0.538 nan 8.290 nan 0.000 0.552 271 S N -0.483 115.388 115.700 0.286 0.000 2.577 271 S HA 0.294 4.764 4.470 0.000 0.000 0.219 271 S C 0.512 175.178 174.600 0.110 0.000 0.962 271 S CA -0.878 57.418 58.200 0.161 0.000 0.921 271 S CB -0.277 62.988 63.200 0.108 0.000 0.789 271 S HN 0.162 nan 8.310 nan 0.000 0.497 272 F N 3.943 123.865 119.950 -0.047 0.000 2.602 272 F HA 0.246 4.773 4.527 0.000 0.000 0.385 272 F C 0.811 176.492 175.800 -0.198 0.000 1.063 272 F CA -0.051 57.751 58.000 -0.330 0.000 1.233 272 F CB -0.339 38.075 39.000 -0.977 0.000 1.067 272 F HN 0.341 nan 8.300 nan 0.000 0.564 273 D N 3.692 123.572 120.400 -0.868 0.000 2.870 273 D HA -0.273 4.367 4.640 0.000 0.000 0.228 273 D C 0.805 176.846 176.300 -0.431 0.000 1.147 273 D CA 1.017 54.537 54.000 -0.799 0.000 0.757 273 D CB -1.350 38.733 40.800 -1.195 0.000 1.091 273 D HN 0.699 nan 8.370 nan 0.000 0.429 274 N N 0.366 118.869 118.700 -0.327 0.000 2.247 274 N HA -0.167 4.573 4.740 0.000 0.000 0.189 274 N C 1.401 176.475 175.510 -0.726 0.000 1.009 274 N CA 1.250 54.057 53.050 -0.406 0.000 0.872 274 N CB -0.085 38.270 38.487 -0.220 0.000 0.980 274 N HN 0.594 nan 8.380 nan 0.000 0.436 275 E N -0.095 119.830 120.200 -0.459 0.000 2.338 275 E HA -0.104 4.246 4.350 0.000 0.000 0.197 275 E C -0.426 175.971 176.600 -0.339 0.000 1.007 275 E CA 0.338 56.523 56.400 -0.358 0.000 0.849 275 E CB -0.109 29.487 29.700 -0.173 0.000 0.774 275 E HN 0.458 nan 8.360 nan 0.000 0.506 276 H N -1.448 117.535 119.070 -0.144 0.000 2.819 276 H HA -0.164 4.392 4.556 0.000 0.000 0.323 276 H C 0.783 176.023 175.328 -0.146 0.000 1.243 276 H CA 0.667 56.630 56.048 -0.142 0.000 1.163 276 H CB -2.093 27.609 29.762 -0.101 0.000 1.493 276 H HN 0.235 nan 8.280 nan 0.000 0.434 277 L N -0.503 120.653 121.223 -0.112 0.000 2.463 277 L HA 0.051 4.391 4.340 0.000 0.000 0.219 277 L C 2.131 178.890 176.870 -0.185 0.000 1.088 277 L CA 1.019 55.760 54.840 -0.166 0.000 0.849 277 L CB 0.429 42.326 42.059 -0.270 0.000 1.012 277 L HN 0.346 nan 8.230 nan 0.000 0.468 278 V N -5.337 114.477 119.914 -0.167 0.000 3.180 278 V HA 0.250 4.370 4.120 0.000 0.000 0.246 278 V C 0.729 176.803 176.094 -0.034 0.000 1.545 278 V CA -0.398 61.837 62.300 -0.107 0.000 1.138 278 V CB 0.095 31.871 31.823 -0.078 0.000 0.978 278 V HN -0.017 nan 8.190 nan 0.000 0.437 279 L N 3.548 124.746 121.223 -0.040 0.000 2.456 279 L HA 0.349 4.689 4.340 0.000 0.000 0.272 279 L C -1.797 175.073 176.870 -0.000 0.000 1.189 279 L CA -1.071 53.787 54.840 0.029 0.000 0.846 279 L CB 0.503 42.594 42.059 0.053 0.000 1.111 279 L HN 0.202 nan 8.230 nan 0.000 0.475 280 P HA 0.169 nan 4.420 nan 0.000 0.219 280 P C -0.676 176.579 177.300 -0.074 0.000 1.832 280 P CA -0.381 62.698 63.100 -0.035 0.000 1.014 280 P CB 0.026 31.715 31.700 -0.018 0.000 1.939 281 R N 0.796 121.243 120.500 -0.088 0.000 2.442 281 R HA 0.264 4.604 4.340 0.000 0.000 0.291 281 R C 1.326 177.531 176.300 -0.158 0.000 1.069 281 R CA 0.156 56.186 56.100 -0.117 0.000 1.022 281 R CB 0.291 30.496 30.300 -0.158 0.000 0.976 281 R HN 0.335 nan 8.270 nan 0.000 0.443 282 T N -1.314 113.136 114.554 -0.174 0.000 2.862 282 T HA 0.147 4.497 4.350 0.000 0.000 0.276 282 T C 1.173 175.731 174.700 -0.237 0.000 0.974 282 T CA -0.927 61.040 62.100 -0.222 0.000 0.966 282 T CB 1.160 69.888 68.868 -0.234 0.000 1.072 282 T HN 0.679 nan 8.240 nan 0.000 0.538 283 K N -0.376 119.790 120.400 -0.390 0.000 2.209 283 K HA -0.156 4.164 4.320 0.000 0.000 0.204 283 K C 1.495 177.834 176.600 -0.435 0.000 1.048 283 K CA 1.341 57.366 56.287 -0.437 0.000 0.940 283 K CB -0.655 31.535 32.500 -0.518 0.000 0.729 283 K HN 0.652 nan 8.250 nan 0.000 0.451 284 Y N 2.648 122.942 120.300 -0.011 0.000 2.200 284 Y HA -0.127 4.423 4.550 0.000 0.000 0.290 284 Y C 2.014 177.926 175.900 0.020 0.000 1.137 284 Y CA 1.239 59.364 58.100 0.041 0.000 1.163 284 Y CB -0.512 38.034 38.460 0.143 0.000 0.988 284 Y HN 0.144 nan 8.280 nan 0.000 0.518 285 D N -0.167 120.298 120.400 0.107 0.000 2.144 285 D HA -0.141 4.499 4.640 0.000 0.000 0.199 285 D C 2.300 178.571 176.300 -0.049 0.000 0.984 285 D CA 1.473 55.485 54.000 0.020 0.000 0.834 285 D CB -0.311 40.480 40.800 -0.016 0.000 0.955 285 D HN 0.226 nan 8.370 nan 0.000 0.465 286 V N 1.494 121.351 119.914 -0.095 0.000 2.295 286 V HA -0.223 3.897 4.120 0.000 0.000 0.246 286 V C 2.566 178.625 176.094 -0.060 0.000 1.049 286 V CA 1.131 63.360 62.300 -0.118 0.000 1.024 286 V CB -0.378 31.356 31.823 -0.148 0.000 0.648 286 V HN 0.130 nan 8.190 nan 0.000 0.447 287 I N -0.366 120.183 120.570 -0.036 0.000 2.142 287 I HA -0.259 3.911 4.170 0.000 0.000 0.240 287 I C 2.321 178.467 176.117 0.049 0.000 1.078 287 I CA 1.805 63.112 61.300 0.010 0.000 1.343 287 I CB -0.375 37.644 38.000 0.031 0.000 1.046 287 I HN 0.198 nan 8.210 nan 0.000 0.405 288 I N 0.587 121.196 120.570 0.064 0.000 2.151 288 I HA -0.369 3.801 4.170 0.000 0.000 0.243 288 I C 2.301 178.472 176.117 0.092 0.000 1.080 288 I CA 1.783 63.147 61.300 0.107 0.000 1.339 288 I CB -0.489 37.565 38.000 0.091 0.000 1.039 288 I HN 0.351 nan 8.210 nan 0.000 0.409 289 D N 0.852 121.263 120.400 0.018 0.000 2.084 289 D HA -0.193 4.448 4.640 0.000 0.000 0.196 289 D C 2.071 178.401 176.300 0.049 0.000 0.985 289 D CA 1.470 55.480 54.000 0.018 0.000 0.826 289 D CB -0.054 40.732 40.800 -0.023 0.000 0.978 289 D HN 0.290 nan 8.370 nan 0.000 0.456 290 E N -0.126 120.093 120.200 0.032 0.000 2.130 290 E HA -0.195 4.155 4.350 0.000 0.000 0.196 290 E C 1.565 178.206 176.600 0.067 0.000 0.998 290 E CA 1.128 57.552 56.400 0.040 0.000 0.806 290 E CB -0.051 29.661 29.700 0.019 0.000 0.738 290 E HN 0.527 nan 8.360 nan 0.000 0.459 291 E N 0.521 120.778 120.200 0.096 0.000 2.474 291 E HA 0.024 4.374 4.350 0.000 0.000 0.195 291 E C 0.319 177.020 176.600 0.167 0.000 1.039 291 E CA -0.157 56.318 56.400 0.125 0.000 0.881 291 E CB 0.564 30.346 29.700 0.136 0.000 0.970 291 E HN 0.081 nan 8.360 nan 0.000 0.486 292 S N 0.903 116.702 115.700 0.166 0.000 2.614 292 S HA 0.131 4.601 4.470 0.000 0.000 0.265 292 S C -1.742 172.929 174.600 0.119 0.000 1.303 292 S CA -1.194 57.114 58.200 0.179 0.000 1.000 292 S CB 0.948 64.258 63.200 0.184 0.000 0.935 292 S HN -0.236 nan 8.310 nan 0.000 0.551 293 P HA -0.065 nan 4.420 nan 0.000 0.218 293 P C 0.077 177.417 177.300 0.067 0.000 1.146 293 P CA 1.183 64.325 63.100 0.070 0.000 0.813 293 P CB 0.050 31.781 31.700 0.052 0.000 0.778 294 R N -1.380 119.165 120.500 0.075 0.000 2.734 294 R HA 0.299 4.639 4.340 0.000 0.000 0.268 294 R C -2.824 173.516 176.300 0.067 0.000 1.785 294 R CA -1.691 54.448 56.100 0.065 0.000 1.461 294 R CB 1.322 31.659 30.300 0.061 0.000 1.308 294 R HN 0.068 nan 8.270 nan 0.000 0.586 295 P HA 0.066 nan 4.420 nan 0.000 0.271 295 P C 0.846 178.188 177.300 0.070 0.000 1.216 295 P CA 0.769 63.908 63.100 0.066 0.000 0.776 295 P CB 0.956 32.690 31.700 0.057 0.000 0.881 296 G N 0.344 109.204 108.800 0.100 0.000 2.199 296 G HA2 -0.186 3.774 3.960 0.000 0.000 0.254 296 G HA3 -0.186 3.774 3.960 0.000 0.000 0.254 296 G C 0.151 175.081 174.900 0.051 0.000 0.982 296 G CA -0.209 44.957 45.100 0.109 0.000 0.632 296 G HN 0.516 nan 8.290 nan 0.000 0.529 297 Q N -0.405 119.430 119.800 0.058 0.000 2.240 297 Q HA 0.580 4.920 4.340 0.000 0.000 0.260 297 Q C 0.692 176.731 176.000 0.066 0.000 1.018 297 Q CA -0.617 55.214 55.803 0.047 0.000 0.898 297 Q CB 0.599 29.368 28.738 0.051 0.000 1.301 297 Q HN 0.332 nan 8.270 nan 0.000 0.469 298 Q N -0.539 119.306 119.800 0.074 0.000 2.416 298 Q HA -0.261 4.079 4.340 0.000 0.000 0.319 298 Q C 0.642 176.706 176.000 0.106 0.000 1.318 298 Q CA 0.844 56.712 55.803 0.108 0.000 0.915 298 Q CB -1.919 26.889 28.738 0.116 0.000 1.184 298 Q HN 0.798 nan 8.270 nan 0.000 0.444 299 A N -0.305 122.574 122.820 0.099 0.000 1.902 299 A HA -0.158 4.162 4.320 0.000 0.000 0.217 299 A C 1.554 179.224 177.584 0.143 0.000 1.181 299 A CA 1.471 53.574 52.037 0.110 0.000 0.623 299 A CB -0.450 18.623 19.000 0.121 0.000 0.818 299 A HN 0.441 nan 8.150 nan 0.000 0.443 300 F N 0.664 120.639 119.950 0.042 0.000 2.206 300 F HA -0.054 4.473 4.527 0.000 0.000 0.298 300 F C 2.127 178.020 175.800 0.154 0.000 1.090 300 F CA 1.745 59.810 58.000 0.109 0.000 1.323 300 F CB -0.347 38.765 39.000 0.187 0.000 1.028 300 F HN 0.438 nan 8.300 nan 0.000 0.492 301 E N 0.321 120.605 120.200 0.140 0.000 2.085 301 E HA -0.264 4.086 4.350 0.000 0.000 0.194 301 E C 2.061 178.704 176.600 0.072 0.000 0.994 301 E CA 1.645 58.101 56.400 0.094 0.000 0.801 301 E CB -0.101 29.717 29.700 0.196 0.000 0.743 301 E HN 0.394 nan 8.360 nan 0.000 0.453 302 K N -0.496 119.874 120.400 -0.050 0.000 2.211 302 K HA -0.045 4.275 4.320 0.000 0.000 0.203 302 K C 1.811 178.282 176.600 -0.215 0.000 1.050 302 K CA 0.997 57.041 56.287 -0.404 0.000 0.945 302 K CB 0.091 32.314 32.500 -0.462 0.000 0.732 302 K HN 0.227 nan 8.250 nan 0.000 0.451 303 M N 0.144 119.689 119.600 -0.091 0.000 2.556 303 M HA 0.000 4.480 4.480 0.000 0.000 0.245 303 M C 1.408 177.675 176.300 -0.055 0.000 1.128 303 M CA 1.139 56.418 55.300 -0.036 0.000 1.069 303 M CB -0.008 32.602 32.600 0.017 0.000 1.469 303 M HN 0.229 nan 8.290 nan 0.000 0.494 304 T N -5.203 109.281 114.554 -0.116 0.000 2.992 304 T HA 0.124 4.474 4.350 0.000 0.000 0.255 304 T C 0.845 175.569 174.700 0.041 0.000 0.938 304 T CA -0.056 61.978 62.100 -0.111 0.000 0.895 304 T CB 0.191 68.828 68.868 -0.386 0.000 1.221 304 T HN 0.154 nan 8.240 nan 0.000 0.512 305 S N 0.854 116.645 115.700 0.151 0.000 2.564 305 S HA 0.477 4.948 4.470 0.000 0.000 0.278 305 S C 1.811 176.542 174.600 0.218 0.000 1.333 305 S CA 0.119 58.444 58.200 0.208 0.000 1.048 305 S CB 0.667 64.070 63.200 0.338 0.000 0.900 305 S HN 0.488 nan 8.310 nan 0.000 0.505 306 G N 2.785 111.659 108.800 0.124 0.000 2.479 306 G HA2 -0.212 3.748 3.960 0.000 0.000 0.220 306 G HA3 -0.212 3.748 3.960 0.000 0.000 0.220 306 G C 1.038 176.010 174.900 0.120 0.000 1.115 306 G CA 0.845 46.008 45.100 0.104 0.000 0.757 306 G HN 0.915 nan 8.290 nan 0.000 0.560 307 Y N 0.478 120.739 120.300 -0.065 0.000 2.315 307 Y HA -0.126 4.425 4.550 0.000 0.000 0.288 307 Y C 1.715 177.472 175.900 -0.240 0.000 1.154 307 Y CA 1.205 59.160 58.100 -0.242 0.000 1.229 307 Y CB 0.011 38.170 38.460 -0.502 0.000 0.980 307 Y HN 0.331 nan 8.280 nan 0.000 0.540 308 Y N -1.300 119.101 120.300 0.168 0.000 2.458 308 Y HA 0.132 4.682 4.550 0.000 0.000 0.256 308 Y C 1.709 177.640 175.900 0.051 0.000 1.159 308 Y CA -0.156 58.025 58.100 0.134 0.000 1.261 308 Y CB -0.005 38.586 38.460 0.218 0.000 1.119 308 Y HN 0.023 nan 8.280 nan 0.000 0.524 309 L N -0.806 120.512 121.223 0.158 0.000 2.056 309 L HA -0.069 4.271 4.340 0.000 0.000 0.207 309 L C 2.557 179.469 176.870 0.069 0.000 1.078 309 L CA 1.439 56.355 54.840 0.126 0.000 0.749 309 L CB -0.823 41.316 42.059 0.134 0.000 0.901 309 L HN 0.342 nan 8.230 nan 0.000 0.433 310 G N -0.316 108.504 108.800 0.034 0.000 2.422 310 G HA2 -0.271 3.689 3.960 0.000 0.000 0.218 310 G HA3 -0.271 3.689 3.960 0.000 0.000 0.218 310 G C 1.474 176.296 174.900 -0.130 0.000 1.140 310 G CA 0.669 45.747 45.100 -0.038 0.000 0.775 310 G HN 0.322 nan 8.290 nan 0.000 0.545 311 E N 0.595 120.708 120.200 -0.145 0.000 2.106 311 E HA -0.048 4.302 4.350 0.000 0.000 0.192 311 E C 2.368 178.915 176.600 -0.089 0.000 0.984 311 E CA 0.660 56.921 56.400 -0.233 0.000 0.806 311 E CB -0.303 29.176 29.700 -0.368 0.000 0.750 311 E HN 0.509 nan 8.360 nan 0.000 0.458 312 I N -0.009 120.565 120.570 0.007 0.000 2.179 312 I HA -0.318 3.852 4.170 0.000 0.000 0.242 312 I C 2.503 178.569 176.117 -0.085 0.000 1.088 312 I CA 1.290 62.612 61.300 0.037 0.000 1.357 312 I CB -0.316 37.745 38.000 0.101 0.000 1.051 312 I HN 0.217 nan 8.210 nan 0.000 0.409 313 M N -0.218 119.324 119.600 -0.096 0.000 2.065 313 M HA -0.259 4.221 4.480 0.000 0.000 0.259 313 M C 2.570 178.824 176.300 -0.077 0.000 1.069 313 M CA 1.791 57.029 55.300 -0.104 0.000 1.110 313 M CB -0.614 31.976 32.600 -0.018 0.000 1.328 313 M HN 0.165 nan 8.290 nan 0.000 0.405 314 R N 0.966 121.416 120.500 -0.083 0.000 2.096 314 R HA -0.184 4.156 4.340 0.000 0.000 0.240 314 R C 1.996 178.281 176.300 -0.025 0.000 1.139 314 R CA 1.681 57.740 56.100 -0.068 0.000 0.952 314 R CB -0.416 29.788 30.300 -0.160 0.000 0.854 314 R HN 0.366 nan 8.270 nan 0.000 0.436 315 L N 0.026 121.230 121.223 -0.031 0.000 2.093 315 L HA -0.150 4.190 4.340 0.000 0.000 0.208 315 L C 2.479 179.351 176.870 0.003 0.000 1.085 315 L CA 0.817 55.696 54.840 0.064 0.000 0.755 315 L CB -0.272 41.907 42.059 0.200 0.000 0.904 315 L HN 0.085 nan 8.230 nan 0.000 0.435 316 V N 0.134 119.867 119.914 -0.302 0.000 2.295 316 V HA -0.290 3.830 4.120 0.000 0.000 0.246 316 V C 2.370 178.385 176.094 -0.132 0.000 1.049 316 V CA 1.708 63.722 62.300 -0.477 0.000 1.024 316 V CB -0.377 31.113 31.823 -0.555 0.000 0.648 316 V HN 0.333 nan 8.190 nan 0.000 0.447 317 L N -0.811 120.377 121.223 -0.058 0.000 2.017 317 L HA -0.171 4.169 4.340 0.000 0.000 0.208 317 L C 2.492 179.432 176.870 0.117 0.000 1.073 317 L CA 1.159 56.010 54.840 0.020 0.000 0.745 317 L CB -0.641 41.519 42.059 0.168 0.000 0.894 317 L HN 0.297 nan 8.230 nan 0.000 0.432 318 L N 0.173 121.486 121.223 0.150 0.000 2.042 318 L HA -0.283 4.057 4.340 0.000 0.000 0.210 318 L C 2.220 179.235 176.870 0.241 0.000 1.076 318 L CA 2.112 57.074 54.840 0.204 0.000 0.749 318 L CB -0.743 41.398 42.059 0.137 0.000 0.893 318 L HN 0.372 nan 8.230 nan 0.000 0.432 319 D N -0.259 120.263 120.400 0.203 0.000 2.097 319 D HA -0.196 4.444 4.640 0.000 0.000 0.195 319 D C 2.404 178.822 176.300 0.197 0.000 0.989 319 D CA 1.203 55.338 54.000 0.225 0.000 0.827 319 D CB -0.074 40.923 40.800 0.328 0.000 0.966 319 D HN 0.311 nan 8.370 nan 0.000 0.456 320 L N -0.482 120.830 121.223 0.149 0.000 2.083 320 L HA -0.173 4.168 4.340 0.000 0.000 0.209 320 L C 2.385 179.356 176.870 0.169 0.000 1.083 320 L CA 1.049 55.985 54.840 0.160 0.000 0.752 320 L CB -0.507 41.549 42.059 -0.005 0.000 0.899 320 L HN 0.168 nan 8.230 nan 0.000 0.433 321 Y N 0.823 121.133 120.300 0.017 0.000 2.163 321 Y HA -0.275 4.275 4.550 0.000 0.000 0.288 321 Y C 2.230 178.163 175.900 0.055 0.000 1.136 321 Y CA 1.770 59.888 58.100 0.030 0.000 1.147 321 Y CB -0.179 38.351 38.460 0.117 0.000 0.987 321 Y HN 0.174 nan 8.280 nan 0.000 0.509 322 D N -0.586 119.840 120.400 0.044 0.000 2.219 322 D HA -0.113 4.528 4.640 0.000 0.000 0.205 322 D C 2.012 178.238 176.300 -0.125 0.000 0.970 322 D CA 1.431 55.395 54.000 -0.060 0.000 0.851 322 D CB -0.088 40.785 40.800 0.121 0.000 0.943 322 D HN 0.331 nan 8.370 nan 0.000 0.488 323 S N -1.069 114.609 115.700 -0.037 0.000 2.562 323 S HA 0.235 4.705 4.470 0.000 0.000 0.221 323 S C 1.609 175.993 174.600 -0.360 0.000 0.975 323 S CA 0.616 58.772 58.200 -0.073 0.000 0.918 323 S CB 0.775 64.101 63.200 0.209 0.000 0.772 323 S HN 0.444 nan 8.310 nan 0.000 0.531 324 G N 0.428 109.008 108.800 -0.366 0.000 2.179 324 G HA2 -0.241 3.719 3.960 0.000 0.000 0.220 324 G HA3 -0.241 3.719 3.960 0.000 0.000 0.220 324 G C 0.533 175.166 174.900 -0.445 0.000 0.990 324 G CA -0.027 44.802 45.100 -0.452 0.000 0.646 324 G HN 0.515 nan 8.290 nan 0.000 0.517 325 F N 1.021 120.896 119.950 -0.125 0.000 2.293 325 F HA 0.414 4.941 4.527 0.000 0.000 0.297 325 F C 1.672 177.394 175.800 -0.129 0.000 1.089 325 F CA 1.304 59.237 58.000 -0.111 0.000 1.377 325 F CB 0.112 39.048 39.000 -0.106 0.000 1.051 325 F HN 0.471 nan 8.300 nan 0.000 0.511 326 I N -6.925 113.641 120.570 -0.006 0.000 3.102 326 I HA 0.402 4.572 4.170 0.000 0.000 0.310 326 I C -0.744 175.393 176.117 0.033 0.000 1.246 326 I CA -1.334 59.882 61.300 -0.140 0.000 0.979 326 I CB 1.770 39.444 38.000 -0.544 0.000 1.267 326 I HN -0.154 nan 8.210 nan 0.000 0.451 327 F N 0.049 120.094 119.950 0.157 0.000 3.074 327 F HA -0.188 4.339 4.527 0.000 0.000 0.289 327 F C 0.761 176.713 175.800 0.253 0.000 0.863 327 F CA 0.467 58.584 58.000 0.194 0.000 1.121 327 F CB -2.345 36.785 39.000 0.216 0.000 1.169 327 F HN 0.759 nan 8.300 nan 0.000 0.570 328 K N 1.660 122.238 120.400 0.297 0.000 2.466 328 K HA 0.056 4.376 4.320 0.000 0.000 0.278 328 K C 1.009 177.723 176.600 0.191 0.000 1.048 328 K CA 1.112 57.512 56.287 0.188 0.000 1.088 328 K CB 0.123 32.676 32.500 0.088 0.000 0.884 328 K HN 0.325 nan 8.250 nan 0.000 0.478 329 D N 1.649 122.168 120.400 0.198 0.000 3.079 329 D HA -0.182 4.458 4.640 0.000 0.000 0.214 329 D C -0.505 175.871 176.300 0.126 0.000 1.145 329 D CA 1.003 55.088 54.000 0.141 0.000 0.958 329 D CB -0.434 40.416 40.800 0.083 0.000 1.117 329 D HN 0.554 nan 8.370 nan 0.000 0.416 330 Q N 0.671 120.567 119.800 0.161 0.000 2.306 330 Q HA 0.263 4.603 4.340 0.000 0.000 0.241 330 Q C 0.136 176.132 176.000 -0.007 0.000 0.948 330 Q CA -0.166 55.668 55.803 0.052 0.000 0.886 330 Q CB 0.722 29.463 28.738 0.006 0.000 1.227 330 Q HN 0.148 nan 8.270 nan 0.000 0.457 331 D N 1.090 121.460 120.400 -0.050 0.000 2.363 331 D HA 0.006 4.646 4.640 0.000 0.000 0.263 331 D C 0.154 176.366 176.300 -0.146 0.000 1.258 331 D CA 0.120 54.076 54.000 -0.074 0.000 0.907 331 D CB 0.194 40.959 40.800 -0.057 0.000 1.107 331 D HN 0.368 nan 8.370 nan 0.000 0.495 332 I N 2.802 123.258 120.570 -0.190 0.000 3.883 332 I HA -0.062 4.108 4.170 0.000 0.000 0.326 332 I C 2.071 178.089 176.117 -0.166 0.000 1.283 332 I CA 0.334 61.468 61.300 -0.277 0.000 1.161 332 I CB -0.138 37.508 38.000 -0.590 0.000 1.012 332 I HN 0.537 nan 8.210 nan 0.000 0.421 333 S N 0.457 116.093 115.700 -0.108 0.000 2.387 333 S HA -0.282 4.188 4.470 0.000 0.000 0.230 333 S C 1.946 176.501 174.600 -0.074 0.000 1.035 333 S CA 1.406 59.563 58.200 -0.071 0.000 1.014 333 S CB -0.473 62.698 63.200 -0.048 0.000 0.836 333 S HN 0.472 nan 8.310 nan 0.000 0.466 334 K N 0.293 120.638 120.400 -0.093 0.000 2.228 334 K HA 0.232 4.553 4.320 0.000 0.000 0.202 334 K C 1.923 178.451 176.600 -0.121 0.000 1.051 334 K CA 0.589 56.817 56.287 -0.099 0.000 0.960 334 K CB -0.314 32.123 32.500 -0.105 0.000 0.743 334 K HN 0.240 nan 8.250 nan 0.000 0.458 335 L N 1.962 123.110 121.223 -0.126 0.000 2.275 335 L HA -0.099 4.241 4.340 0.000 0.000 0.215 335 L C 1.487 178.307 176.870 -0.082 0.000 1.119 335 L CA 1.678 56.452 54.840 -0.110 0.000 0.790 335 L CB -0.113 41.906 42.059 -0.067 0.000 0.919 335 L HN -0.010 nan 8.230 nan 0.000 0.443 336 K N -0.268 120.091 120.400 -0.069 0.000 2.418 336 K HA 0.007 4.327 4.320 0.000 0.000 0.195 336 K C 0.050 176.628 176.600 -0.038 0.000 1.035 336 K CA 0.143 56.407 56.287 -0.039 0.000 1.003 336 K CB 0.073 32.559 32.500 -0.024 0.000 0.793 336 K HN 0.423 nan 8.250 nan 0.000 0.494 337 E N 1.555 121.722 120.200 -0.056 0.000 2.217 337 E HA 0.171 4.522 4.350 0.000 0.000 0.279 337 E C -0.638 175.926 176.600 -0.060 0.000 1.068 337 E CA -0.562 55.813 56.400 -0.041 0.000 0.882 337 E CB 0.963 30.638 29.700 -0.042 0.000 1.039 337 E HN 0.148 nan 8.360 nan 0.000 0.418 338 A N 3.515 126.323 122.820 -0.021 0.000 2.540 338 A HA 0.006 4.326 4.320 0.000 0.000 0.239 338 A C -0.270 177.312 177.584 -0.003 0.000 1.061 338 A CA 0.215 52.212 52.037 -0.068 0.000 0.758 338 A CB -0.397 18.651 19.000 0.079 0.000 0.991 338 A HN 0.883 nan 8.150 nan 0.000 0.502 339 Y N -0.476 119.778 120.300 -0.077 0.000 4.881 339 Y HA -0.257 4.293 4.550 0.000 0.000 0.241 339 Y C 1.577 177.382 175.900 -0.159 0.000 0.985 339 Y CA 0.862 58.877 58.100 -0.141 0.000 1.976 339 Y CB -2.168 36.221 38.460 -0.117 0.000 1.528 339 Y HN 0.461 nan 8.280 nan 0.000 0.581 340 V N 0.367 120.211 119.914 -0.116 0.000 2.380 340 V HA -0.246 3.874 4.120 0.000 0.000 0.251 340 V C 1.250 177.161 176.094 -0.306 0.000 1.063 340 V CA 2.431 64.632 62.300 -0.165 0.000 1.055 340 V CB -0.167 31.543 31.823 -0.189 0.000 0.657 340 V HN 0.331 nan 8.190 nan 0.000 0.455 341 M N 1.449 120.773 119.600 -0.459 0.000 2.055 341 M HA 0.296 4.777 4.480 0.000 0.000 0.347 341 M C -0.208 175.922 176.300 -0.284 0.000 1.123 341 M CA -0.570 54.277 55.300 -0.756 0.000 1.035 341 M CB 1.012 33.055 32.600 -0.928 0.000 1.484 341 M HN 0.371 nan 8.290 nan 0.000 0.428 342 D N 1.312 121.689 120.400 -0.038 0.000 2.469 342 D HA 0.208 4.848 4.640 0.000 0.000 0.278 342 D C 0.788 177.146 176.300 0.096 0.000 1.231 342 D CA -0.508 53.490 54.000 -0.002 0.000 1.075 342 D CB 0.002 40.820 40.800 0.030 0.000 1.121 342 D HN 0.403 nan 8.370 nan 0.000 0.571 343 T N -1.015 113.587 114.554 0.081 0.000 2.962 343 T HA -0.126 4.224 4.350 0.000 0.000 0.270 343 T C 1.763 176.559 174.700 0.159 0.000 1.088 343 T CA 1.519 63.708 62.100 0.149 0.000 1.127 343 T CB -0.519 68.441 68.868 0.153 0.000 0.883 343 T HN 0.564 nan 8.240 nan 0.000 0.493 344 S N 0.471 116.239 115.700 0.113 0.000 2.469 344 S HA -0.122 4.348 4.470 0.000 0.000 0.238 344 S C 1.621 176.203 174.600 -0.030 0.000 0.998 344 S CA 0.522 58.730 58.200 0.015 0.000 0.957 344 S CB -0.636 62.547 63.200 -0.028 0.000 0.764 344 S HN 0.494 nan 8.310 nan 0.000 0.514 345 Y N 2.864 123.149 120.300 -0.025 0.000 2.109 345 Y HA 0.111 4.661 4.550 0.000 0.000 0.281 345 Y C -0.230 175.684 175.900 0.024 0.000 1.113 345 Y CA 0.914 59.003 58.100 -0.017 0.000 1.098 345 Y CB -1.663 36.771 38.460 -0.043 0.000 0.996 345 Y HN 0.236 nan 8.280 nan 0.000 0.485 346 P HA -0.195 nan 4.420 nan 0.000 0.217 346 P C 1.787 179.099 177.300 0.021 0.000 1.148 346 P CA 2.084 65.302 63.100 0.197 0.000 0.828 346 P CB -0.012 31.878 31.700 0.317 0.000 0.783 347 S N -0.055 115.547 115.700 -0.164 0.000 2.343 347 S HA -0.138 4.333 4.470 0.000 0.000 0.219 347 S C 1.928 176.358 174.600 -0.283 0.000 1.033 347 S CA 1.339 59.206 58.200 -0.554 0.000 1.014 347 S CB -0.600 62.291 63.200 -0.516 0.000 0.915 347 S HN 0.096 nan 8.310 nan 0.000 0.435 348 K N 0.332 120.631 120.400 -0.169 0.000 2.152 348 K HA -0.043 4.277 4.320 0.000 0.000 0.206 348 K C 2.034 178.599 176.600 -0.058 0.000 1.048 348 K CA 1.339 57.554 56.287 -0.120 0.000 0.933 348 K CB -0.321 32.090 32.500 -0.147 0.000 0.721 348 K HN 0.460 nan 8.250 nan 0.000 0.447 349 I N 1.117 121.674 120.570 -0.021 0.000 2.193 349 I HA -0.205 3.965 4.170 0.000 0.000 0.240 349 I C 2.246 178.375 176.117 0.019 0.000 1.084 349 I CA 1.136 62.460 61.300 0.040 0.000 1.365 349 I CB -0.160 37.908 38.000 0.114 0.000 1.064 349 I HN 0.155 nan 8.210 nan 0.000 0.410 350 E N 0.378 120.576 120.200 -0.004 0.000 2.160 350 E HA -0.285 4.065 4.350 0.000 0.000 0.195 350 E C 1.154 177.741 176.600 -0.022 0.000 0.991 350 E CA 1.410 57.811 56.400 0.002 0.000 0.810 350 E CB -0.109 29.601 29.700 0.018 0.000 0.742 350 E HN 0.388 nan 8.360 nan 0.000 0.466 351 D N 0.678 121.044 120.400 -0.058 0.000 2.349 351 D HA -0.067 4.574 4.640 0.000 0.000 0.215 351 D C 0.018 176.305 176.300 -0.022 0.000 1.016 351 D CA 0.084 54.052 54.000 -0.053 0.000 0.870 351 D CB 0.043 40.791 40.800 -0.087 0.000 0.917 351 D HN -0.068 nan 8.370 nan 0.000 0.524 352 D N 0.331 120.739 120.400 0.014 0.000 2.451 352 D HA -0.050 4.590 4.640 0.000 0.000 0.254 352 D C -1.560 174.759 176.300 0.030 0.000 1.204 352 D CA -0.965 53.081 54.000 0.076 0.000 0.896 352 D CB 1.341 42.203 40.800 0.103 0.000 1.136 352 D HN 0.165 nan 8.370 nan 0.000 0.499 353 P HA 0.090 nan 4.420 nan 0.000 0.261 353 P C -0.151 176.978 177.300 -0.285 0.000 1.268 353 P CA -0.210 62.762 63.100 -0.213 0.000 0.833 353 P CB 0.072 31.566 31.700 -0.343 0.000 1.231 354 F N 0.923 120.866 119.950 -0.013 0.000 2.394 354 F HA 0.206 4.733 4.527 0.000 0.000 0.340 354 F C 2.053 177.848 175.800 -0.008 0.000 1.105 354 F CA -0.486 57.508 58.000 -0.010 0.000 1.124 354 F CB 1.105 40.099 39.000 -0.010 0.000 1.145 354 F HN -0.210 nan 8.300 nan 0.000 0.505 355 E N 1.983 122.272 120.200 0.149 0.000 2.085 355 E HA -0.245 4.105 4.350 0.000 0.000 0.194 355 E C 0.797 177.452 176.600 0.091 0.000 0.994 355 E CA 1.947 58.399 56.400 0.087 0.000 0.801 355 E CB -0.219 29.520 29.700 0.064 0.000 0.743 355 E HN 0.714 nan 8.360 nan 0.000 0.453 356 N N -0.172 118.598 118.700 0.116 0.000 2.314 356 N HA 0.159 4.899 4.740 0.000 0.000 0.200 356 N C -0.571 174.973 175.510 0.057 0.000 1.135 356 N CA 0.148 53.237 53.050 0.065 0.000 0.835 356 N CB 0.125 38.634 38.487 0.037 0.000 0.989 356 N HN 0.074 nan 8.380 nan 0.000 0.478 357 L N 1.017 122.309 121.223 0.115 0.000 3.632 357 L HA -0.240 4.100 4.340 0.000 0.000 0.510 357 L C 0.793 177.686 176.870 0.038 0.000 1.299 357 L CA -0.028 54.874 54.840 0.103 0.000 0.829 357 L CB -0.826 41.263 42.059 0.050 0.000 1.559 357 L HN 0.350 nan 8.230 nan 0.000 0.857 358 E N -0.128 120.054 120.200 -0.030 0.000 2.208 358 E HA -0.140 4.210 4.350 0.000 0.000 0.193 358 E C 1.316 177.801 176.600 -0.192 0.000 0.988 358 E CA 1.234 57.468 56.400 -0.275 0.000 0.828 358 E CB 0.176 29.398 29.700 -0.795 0.000 0.763 358 E HN 0.635 nan 8.360 nan 0.000 0.478 359 D N 0.376 120.750 120.400 -0.043 0.000 2.117 359 D HA -0.085 4.555 4.640 0.000 0.000 0.198 359 D C 1.880 178.193 176.300 0.022 0.000 0.982 359 D CA 1.264 55.270 54.000 0.009 0.000 0.828 359 D CB -0.330 40.529 40.800 0.098 0.000 0.967 359 D HN 0.096 nan 8.370 nan 0.000 0.464 360 T N 0.631 115.222 114.554 0.062 0.000 2.708 360 T HA -0.169 4.181 4.350 0.000 0.000 0.266 360 T C 1.498 176.296 174.700 0.164 0.000 1.037 360 T CA 1.464 63.642 62.100 0.130 0.000 1.146 360 T CB -0.368 68.551 68.868 0.085 0.000 0.865 360 T HN 0.081 nan 8.240 nan 0.000 0.435 361 D N 1.189 121.624 120.400 0.058 0.000 2.106 361 D HA -0.149 4.491 4.640 0.000 0.000 0.191 361 D C 1.836 178.166 176.300 0.050 0.000 0.997 361 D CA 1.307 55.331 54.000 0.040 0.000 0.834 361 D CB -0.341 40.444 40.800 -0.025 0.000 0.956 361 D HN 0.210 nan 8.370 nan 0.000 0.448 362 D N -0.117 120.278 120.400 -0.008 0.000 2.126 362 D HA -0.182 4.458 4.640 0.000 0.000 0.190 362 D C 2.347 178.640 176.300 -0.012 0.000 1.001 362 D CA 0.577 54.560 54.000 -0.028 0.000 0.841 362 D CB -0.572 40.189 40.800 -0.064 0.000 0.949 362 D HN 0.297 nan 8.370 nan 0.000 0.446 363 L N -0.512 120.708 121.223 -0.006 0.000 1.970 363 L HA -0.218 4.122 4.340 0.000 0.000 0.212 363 L C 2.517 179.356 176.870 -0.051 0.000 1.071 363 L CA 1.212 55.993 54.840 -0.098 0.000 0.751 363 L CB -0.327 41.634 42.059 -0.163 0.000 0.889 363 L HN -0.017 nan 8.230 nan 0.000 0.432 364 F N -0.062 119.884 119.950 -0.008 0.000 2.146 364 F HA -0.193 4.334 4.527 0.000 0.000 0.298 364 F C 2.530 178.288 175.800 -0.070 0.000 1.096 364 F CA 1.320 59.307 58.000 -0.021 0.000 1.275 364 F CB -0.339 38.626 39.000 -0.059 0.000 1.008 364 F HN -0.071 nan 8.300 nan 0.000 0.480 365 K N -0.405 120.054 120.400 0.099 0.000 1.973 365 K HA -0.144 4.177 4.320 0.000 0.000 0.212 365 K C 2.049 178.638 176.600 -0.018 0.000 1.047 365 K CA 2.107 58.404 56.287 0.017 0.000 0.937 365 K CB -0.744 31.758 32.500 0.004 0.000 0.721 365 K HN 0.137 nan 8.250 nan 0.000 0.440 366 T N 1.336 115.875 114.554 -0.025 0.000 2.777 366 T HA -0.060 4.290 4.350 0.000 0.000 0.266 366 T C 1.500 176.173 174.700 -0.044 0.000 1.040 366 T CA 1.293 63.370 62.100 -0.038 0.000 1.141 366 T CB -0.105 68.735 68.868 -0.046 0.000 0.868 366 T HN 0.181 nan 8.240 nan 0.000 0.444 367 N N 0.478 119.147 118.700 -0.052 0.000 2.432 367 N HA 0.211 4.952 4.740 0.000 0.000 0.174 367 N C 1.279 176.750 175.510 -0.064 0.000 1.037 367 N CA 0.498 53.525 53.050 -0.039 0.000 0.892 367 N CB 0.197 38.692 38.487 0.013 0.000 1.049 367 N HN 0.324 nan 8.380 nan 0.000 0.442 368 L N -0.075 121.083 121.223 -0.108 0.000 2.858 368 L HA 0.268 4.608 4.340 0.000 0.000 0.251 368 L C 0.129 176.929 176.870 -0.117 0.000 1.149 368 L CA -0.153 54.598 54.840 -0.149 0.000 0.955 368 L CB -0.097 41.804 42.059 -0.263 0.000 1.289 368 L HN -0.038 nan 8.230 nan 0.000 0.542 369 N N 1.465 120.116 118.700 -0.081 0.000 2.725 369 N HA -0.226 4.514 4.740 0.000 0.000 0.249 369 N C -0.593 174.863 175.510 -0.091 0.000 1.103 369 N CA 0.675 53.682 53.050 -0.070 0.000 0.707 369 N CB -1.115 37.332 38.487 -0.067 0.000 1.043 369 N HN 0.405 nan 8.380 nan 0.000 0.553 370 I N 0.695 121.206 120.570 -0.098 0.000 2.378 370 I HA 0.222 4.392 4.170 0.000 0.000 0.291 370 I C 0.167 176.224 176.117 -0.099 0.000 0.992 370 I CA -0.719 60.475 61.300 -0.177 0.000 1.154 370 I CB 1.460 39.220 38.000 -0.400 0.000 1.315 370 I HN -0.004 nan 8.210 nan 0.000 0.448 371 E N 5.440 125.589 120.200 -0.085 0.000 2.200 371 E HA 0.326 4.676 4.350 0.000 0.000 0.283 371 E C -0.380 176.209 176.600 -0.018 0.000 1.015 371 E CA -0.357 56.023 56.400 -0.033 0.000 0.819 371 E CB 1.682 31.375 29.700 -0.010 0.000 1.081 371 E HN 0.620 nan 8.360 nan 0.000 0.397 372 T N -0.472 114.079 114.554 -0.004 0.000 2.950 372 T HA 0.504 4.854 4.350 0.000 0.000 0.288 372 T C 0.507 175.228 174.700 0.035 0.000 1.035 372 T CA -0.891 61.234 62.100 0.042 0.000 1.028 372 T CB 1.588 70.445 68.868 -0.018 0.000 1.109 372 T HN 0.408 nan 8.240 nan 0.000 0.514 373 T N -1.065 113.518 114.554 0.049 0.000 2.862 373 T HA 0.411 4.762 4.350 0.000 0.000 0.276 373 T C 1.633 176.336 174.700 0.006 0.000 0.974 373 T CA -0.519 61.596 62.100 0.025 0.000 0.966 373 T CB 0.661 69.546 68.868 0.029 0.000 1.072 373 T HN 0.424 nan 8.240 nan 0.000 0.538 374 V N 1.280 121.195 119.914 0.001 0.000 2.295 374 V HA -0.171 3.949 4.120 0.000 0.000 0.246 374 V C 2.994 179.081 176.094 -0.012 0.000 1.049 374 V CA 1.981 64.278 62.300 -0.005 0.000 1.024 374 V CB -1.614 30.210 31.823 0.001 0.000 0.648 374 V HN 0.883 nan 8.190 nan 0.000 0.447 375 V N -0.435 119.473 119.914 -0.010 0.000 2.407 375 V HA -0.230 3.890 4.120 0.000 0.000 0.248 375 V C 2.187 178.259 176.094 -0.037 0.000 1.055 375 V CA 2.226 64.513 62.300 -0.021 0.000 1.049 375 V CB -0.868 30.945 31.823 -0.017 0.000 0.662 375 V HN 0.597 nan 8.190 nan 0.000 0.455 376 E N 0.276 120.458 120.200 -0.030 0.000 2.150 376 E HA -0.126 4.224 4.350 0.000 0.000 0.193 376 E C 2.423 178.976 176.600 -0.079 0.000 0.985 376 E CA 1.210 57.578 56.400 -0.054 0.000 0.814 376 E CB -0.194 29.507 29.700 0.002 0.000 0.752 376 E HN 0.612 nan 8.360 nan 0.000 0.466 377 R N 0.914 121.374 120.500 -0.067 0.000 2.092 377 R HA -0.052 4.288 4.340 0.000 0.000 0.231 377 R C 2.141 178.404 176.300 -0.061 0.000 1.119 377 R CA 0.930 56.979 56.100 -0.086 0.000 0.970 377 R CB -0.073 30.194 30.300 -0.056 0.000 0.864 377 R HN 0.070 nan 8.270 nan 0.000 0.440 378 K N 0.944 121.317 120.400 -0.045 0.000 2.032 378 K HA -0.155 4.165 4.320 0.000 0.000 0.209 378 K C 2.193 178.759 176.600 -0.057 0.000 1.048 378 K CA 1.190 57.454 56.287 -0.039 0.000 0.927 378 K CB -0.283 32.198 32.500 -0.032 0.000 0.712 378 K HN 0.158 nan 8.250 nan 0.000 0.441 379 L N 1.322 122.497 121.223 -0.080 0.000 2.046 379 L HA -0.181 4.159 4.340 0.000 0.000 0.208 379 L C 2.193 179.004 176.870 -0.099 0.000 1.077 379 L CA 1.294 56.073 54.840 -0.103 0.000 0.747 379 L CB -0.152 41.828 42.059 -0.132 0.000 0.896 379 L HN 0.149 nan 8.230 nan 0.000 0.432 380 I N -0.293 120.216 120.570 -0.102 0.000 2.163 380 I HA -0.316 3.854 4.170 0.000 0.000 0.243 380 I C 2.763 178.863 176.117 -0.029 0.000 1.085 380 I CA 1.274 62.527 61.300 -0.079 0.000 1.347 380 I CB -0.348 37.561 38.000 -0.151 0.000 1.044 380 I HN 0.303 nan 8.210 nan 0.000 0.408 381 R N 1.752 122.238 120.500 -0.023 0.000 2.083 381 R HA -0.229 4.111 4.340 0.000 0.000 0.237 381 R C 2.121 178.416 176.300 -0.008 0.000 1.137 381 R CA 1.860 57.962 56.100 0.003 0.000 0.951 381 R CB -0.480 29.823 30.300 0.006 0.000 0.851 381 R HN 0.089 nan 8.270 nan 0.000 0.434 382 K N 0.060 120.442 120.400 -0.030 0.000 2.057 382 K HA -0.103 4.217 4.320 0.000 0.000 0.207 382 K C 1.883 178.449 176.600 -0.058 0.000 1.049 382 K CA 1.486 57.753 56.287 -0.034 0.000 0.931 382 K CB -0.708 31.765 32.500 -0.046 0.000 0.714 382 K HN 0.230 nan 8.250 nan 0.000 0.440 383 L N 0.525 121.694 121.223 -0.089 0.000 2.012 383 L HA -0.101 4.239 4.340 0.000 0.000 0.210 383 L C 2.119 178.910 176.870 -0.133 0.000 1.073 383 L CA 2.356 57.102 54.840 -0.157 0.000 0.748 383 L CB -1.169 40.790 42.059 -0.168 0.000 0.891 383 L HN 0.247 nan 8.230 nan 0.000 0.431 384 A N -0.844 121.955 122.820 -0.035 0.000 1.908 384 A HA -0.239 4.081 4.320 0.000 0.000 0.218 384 A C 2.125 179.743 177.584 0.056 0.000 1.181 384 A CA 1.894 53.952 52.037 0.036 0.000 0.627 384 A CB -0.645 18.411 19.000 0.093 0.000 0.818 384 A HN 0.657 nan 8.150 nan 0.000 0.445 385 E N 0.002 120.224 120.200 0.036 0.000 2.051 385 E HA -0.153 4.197 4.350 0.000 0.000 0.192 385 E C 1.982 178.597 176.600 0.025 0.000 0.991 385 E CA 1.177 57.609 56.400 0.054 0.000 0.799 385 E CB -0.399 29.325 29.700 0.040 0.000 0.748 385 E HN 0.622 nan 8.360 nan 0.000 0.449 386 L N 0.810 122.020 121.223 -0.023 0.000 1.997 386 L HA -0.266 4.074 4.340 0.000 0.000 0.216 386 L C 2.575 179.414 176.870 -0.052 0.000 1.074 386 L CA 1.131 55.950 54.840 -0.034 0.000 0.763 386 L CB -0.816 41.183 42.059 -0.100 0.000 0.890 386 L HN 0.071 nan 8.230 nan 0.000 0.434 387 V N 0.270 120.089 119.914 -0.158 0.000 2.255 387 V HA -0.246 3.874 4.120 0.000 0.000 0.247 387 V C 2.656 178.751 176.094 0.001 0.000 1.051 387 V CA 2.190 64.425 62.300 -0.107 0.000 1.018 387 V CB -1.360 30.364 31.823 -0.165 0.000 0.641 387 V HN 0.597 nan 8.190 nan 0.000 0.445 388 G N -0.763 108.052 108.800 0.026 0.000 2.446 388 G HA2 -0.267 3.693 3.960 0.000 0.000 0.217 388 G HA3 -0.267 3.693 3.960 0.000 0.000 0.217 388 G C 1.704 176.585 174.900 -0.033 0.000 1.168 388 G CA 1.660 46.736 45.100 -0.039 0.000 0.771 388 G HN 0.476 nan 8.290 nan 0.000 0.551 389 T N -0.052 114.509 114.554 0.011 0.000 2.777 389 T HA -0.052 4.298 4.350 0.000 0.000 0.266 389 T C 2.318 177.029 174.700 0.018 0.000 1.040 389 T CA 1.172 63.272 62.100 -0.001 0.000 1.141 389 T CB -0.097 68.786 68.868 0.024 0.000 0.868 389 T HN 0.307 nan 8.240 nan 0.000 0.444 390 R N 0.893 121.432 120.500 0.064 0.000 2.091 390 R HA -0.078 4.262 4.340 0.000 0.000 0.238 390 R C 2.531 178.885 176.300 0.090 0.000 1.136 390 R CA 1.492 57.657 56.100 0.109 0.000 0.959 390 R CB -0.406 30.015 30.300 0.202 0.000 0.856 390 R HN 0.373 nan 8.270 nan 0.000 0.437 391 A N 0.598 123.462 122.820 0.073 0.000 1.873 391 A HA -0.066 4.254 4.320 0.000 0.000 0.215 391 A C 2.359 180.007 177.584 0.106 0.000 1.186 391 A CA 1.558 53.648 52.037 0.088 0.000 0.616 391 A CB -0.795 18.256 19.000 0.084 0.000 0.823 391 A HN 0.528 nan 8.150 nan 0.000 0.442 392 A N -0.222 122.614 122.820 0.028 0.000 1.933 392 A HA -0.177 4.143 4.320 0.000 0.000 0.218 392 A C 2.255 179.832 177.584 -0.011 0.000 1.175 392 A CA 1.666 53.626 52.037 -0.129 0.000 0.628 392 A CB -0.425 18.264 19.000 -0.519 0.000 0.814 392 A HN 0.559 nan 8.150 nan 0.000 0.444 393 R N -0.642 119.868 120.500 0.016 0.000 2.073 393 R HA 0.079 4.419 4.340 0.000 0.000 0.229 393 R C 2.015 178.383 176.300 0.112 0.000 1.120 393 R CA 1.245 57.374 56.100 0.047 0.000 0.967 393 R CB -0.403 29.921 30.300 0.040 0.000 0.862 393 R HN 0.505 nan 8.270 nan 0.000 0.436 394 L N -0.208 121.106 121.223 0.151 0.000 2.093 394 L HA -0.116 4.224 4.340 0.000 0.000 0.208 394 L C 2.232 179.319 176.870 0.362 0.000 1.085 394 L CA 1.167 56.169 54.840 0.269 0.000 0.755 394 L CB -0.698 41.514 42.059 0.255 0.000 0.904 394 L HN 0.192 nan 8.230 nan 0.000 0.435 395 T N 0.224 114.913 114.554 0.225 0.000 2.699 395 T HA -0.176 4.174 4.350 0.000 0.000 0.268 395 T C 1.848 176.713 174.700 0.274 0.000 1.036 395 T CA 1.861 64.124 62.100 0.271 0.000 1.147 395 T CB -0.315 68.718 68.868 0.274 0.000 0.862 395 T HN 0.375 nan 8.240 nan 0.000 0.446 396 V N -0.790 119.236 119.914 0.186 0.000 3.217 396 V HA -0.027 4.093 4.120 0.000 0.000 0.264 396 V C 2.398 178.522 176.094 0.049 0.000 1.135 396 V CA 0.608 62.982 62.300 0.124 0.000 1.142 396 V CB -1.640 30.248 31.823 0.109 0.000 0.754 396 V HN 0.520 nan 8.190 nan 0.000 0.484 397 C N 1.948 121.292 119.300 0.074 0.000 2.413 397 C HA 0.010 4.470 4.460 0.000 0.000 0.277 397 C C 3.028 177.781 174.990 -0.396 0.000 1.265 397 C CA 1.215 60.206 59.018 -0.043 0.000 1.752 397 C CB -1.790 26.024 27.740 0.123 0.000 1.998 397 C HN 0.701 nan 8.230 nan 0.000 0.489 398 G N 0.281 108.804 108.800 -0.462 0.000 2.402 398 G HA2 -0.125 3.836 3.960 0.000 0.000 0.216 398 G HA3 -0.125 3.836 3.960 0.000 0.000 0.216 398 G C 1.651 176.225 174.900 -0.544 0.000 1.162 398 G CA 1.266 45.709 45.100 -1.095 0.000 0.777 398 G HN 0.403 nan 8.290 nan 0.000 0.539 399 V N 0.761 120.572 119.914 -0.172 0.000 2.261 399 V HA -0.184 3.936 4.120 0.000 0.000 0.246 399 V C 2.991 179.045 176.094 -0.066 0.000 1.047 399 V CA 2.235 64.513 62.300 -0.037 0.000 1.015 399 V CB -0.675 31.195 31.823 0.079 0.000 0.642 399 V HN 0.460 nan 8.190 nan 0.000 0.446 400 S N -0.318 115.353 115.700 -0.049 0.000 2.370 400 S HA -0.232 4.238 4.470 0.000 0.000 0.226 400 S C 2.106 176.629 174.600 -0.129 0.000 1.033 400 S CA 1.768 59.983 58.200 0.024 0.000 1.011 400 S CB -0.380 62.799 63.200 -0.034 0.000 0.852 400 S HN 0.628 nan 8.310 nan 0.000 0.457 401 A N 0.991 123.595 122.820 -0.361 0.000 1.898 401 A HA 0.027 4.347 4.320 0.000 0.000 0.216 401 A C 2.108 179.462 177.584 -0.383 0.000 1.181 401 A CA 1.428 53.204 52.037 -0.435 0.000 0.620 401 A CB -0.708 17.799 19.000 -0.821 0.000 0.819 401 A HN 0.605 nan 8.150 nan 0.000 0.442 402 I N -0.691 119.628 120.570 -0.418 0.000 2.226 402 I HA -0.316 3.854 4.170 0.000 0.000 0.245 402 I C 2.502 178.414 176.117 -0.340 0.000 1.100 402 I CA 1.131 62.154 61.300 -0.461 0.000 1.374 402 I CB -0.353 37.372 38.000 -0.457 0.000 1.057 402 I HN 0.386 nan 8.210 nan 0.000 0.413 403 C N 0.573 119.792 119.300 -0.135 0.000 2.453 403 C HA -0.152 4.308 4.460 0.000 0.000 0.277 403 C C 2.416 177.323 174.990 -0.138 0.000 1.262 403 C CA 0.825 59.824 59.018 -0.032 0.000 1.718 403 C CB -0.986 26.836 27.740 0.137 0.000 2.031 403 C HN 0.521 nan 8.230 nan 0.000 0.480 404 D N 0.518 120.873 120.400 -0.076 0.000 2.178 404 D HA -0.109 4.531 4.640 0.000 0.000 0.202 404 D C 2.145 178.356 176.300 -0.148 0.000 0.974 404 D CA 0.867 54.828 54.000 -0.066 0.000 0.841 404 D CB -0.486 40.297 40.800 -0.029 0.000 0.953 404 D HN 0.522 nan 8.370 nan 0.000 0.478 405 K N 0.547 120.818 120.400 -0.214 0.000 2.057 405 K HA -0.100 4.220 4.320 0.000 0.000 0.207 405 K C 1.509 177.962 176.600 -0.246 0.000 1.049 405 K CA 0.911 57.071 56.287 -0.212 0.000 0.931 405 K CB 0.269 32.614 32.500 -0.258 0.000 0.714 405 K HN -0.085 nan 8.250 nan 0.000 0.440 406 R N -0.725 119.517 120.500 -0.430 0.000 2.317 406 R HA 0.071 4.411 4.340 0.000 0.000 0.208 406 R C 0.825 176.829 176.300 -0.494 0.000 0.914 406 R CA 0.785 56.554 56.100 -0.552 0.000 1.060 406 R CB 0.234 29.908 30.300 -1.043 0.000 1.015 406 R HN 0.527 nan 8.270 nan 0.000 0.498 407 G N 1.446 110.047 108.800 -0.332 0.000 2.198 407 G HA2 -0.279 3.681 3.960 0.000 0.000 0.257 407 G HA3 -0.279 3.681 3.960 0.000 0.000 0.257 407 G C -0.677 174.212 174.900 -0.018 0.000 1.042 407 G CA -0.118 44.903 45.100 -0.132 0.000 0.791 407 G HN 0.225 nan 8.290 nan 0.000 0.502 408 Y N 0.393 120.696 120.300 0.005 0.000 2.504 408 Y HA 0.392 4.943 4.550 0.000 0.000 0.351 408 Y C 1.612 177.502 175.900 -0.016 0.000 0.988 408 Y CA -1.479 56.616 58.100 -0.009 0.000 1.239 408 Y CB 0.898 39.352 38.460 -0.010 0.000 1.128 408 Y HN 0.050 nan 8.280 nan 0.000 0.525 409 K N 1.141 121.620 120.400 0.131 0.000 2.228 409 K HA 0.018 4.338 4.320 0.000 0.000 0.202 409 K C 0.550 177.148 176.600 -0.003 0.000 1.051 409 K CA 0.774 57.093 56.287 0.055 0.000 0.960 409 K CB 0.157 32.687 32.500 0.050 0.000 0.743 409 K HN 0.708 nan 8.250 nan 0.000 0.458 410 T N -1.672 112.879 114.554 -0.005 0.000 2.908 410 T HA 0.772 5.123 4.350 0.000 0.000 0.290 410 T C -0.804 173.862 174.700 -0.058 0.000 1.034 410 T CA -0.978 61.083 62.100 -0.066 0.000 1.010 410 T CB 2.455 71.260 68.868 -0.106 0.000 1.068 410 T HN 0.087 nan 8.240 nan 0.000 0.481 411 A N 1.437 124.229 122.820 -0.046 0.000 2.583 411 A HA 0.544 4.864 4.320 0.000 0.000 0.298 411 A C -1.175 176.483 177.584 0.123 0.000 1.055 411 A CA -0.939 51.075 52.037 -0.039 0.000 0.714 411 A CB 0.565 19.565 19.000 -0.001 0.000 1.277 411 A HN 1.024 nan 8.150 nan 0.000 0.406 412 H N 1.917 120.940 119.070 -0.077 0.000 2.620 412 H HA 0.369 4.925 4.556 0.000 0.000 0.313 412 H C -0.530 174.783 175.328 -0.026 0.000 1.075 412 H CA -0.521 55.503 56.048 -0.040 0.000 1.397 412 H CB 1.072 30.808 29.762 -0.043 0.000 1.446 412 H HN 0.378 nan 8.280 nan 0.000 0.493 413 I N 3.227 123.851 120.570 0.089 0.000 2.337 413 I HA 0.150 4.320 4.170 0.000 0.000 0.285 413 I C 0.544 176.643 176.117 -0.029 0.000 1.041 413 I CA -0.583 60.743 61.300 0.044 0.000 1.199 413 I CB 0.205 38.238 38.000 0.056 0.000 1.370 413 I HN 0.594 nan 8.210 nan 0.000 0.470 414 A N 5.816 128.625 122.820 -0.020 0.000 2.444 414 A HA 0.659 4.979 4.320 0.000 0.000 0.273 414 A C 0.427 177.916 177.584 -0.159 0.000 1.136 414 A CA -0.194 51.808 52.037 -0.058 0.000 0.799 414 A CB 0.012 19.014 19.000 0.003 0.000 1.081 414 A HN 0.804 nan 8.150 nan 0.000 0.509 415 A N 2.945 125.550 122.820 -0.360 0.000 2.350 415 A HA 0.758 5.079 4.320 0.000 0.000 0.324 415 A C -0.562 176.737 177.584 -0.476 0.000 1.118 415 A CA -0.498 51.172 52.037 -0.612 0.000 0.783 415 A CB 1.230 19.362 19.000 -1.447 0.000 1.236 415 A HN 0.797 nan 8.150 nan 0.000 0.457 416 D N -0.560 119.700 120.400 -0.233 0.000 2.652 416 D HA 0.730 5.370 4.640 0.000 0.000 0.285 416 D C -0.179 176.156 176.300 0.058 0.000 1.173 416 D CA 0.870 54.864 54.000 -0.009 0.000 0.981 416 D CB 2.165 42.969 40.800 0.008 0.000 1.440 416 D HN 1.652 nan 8.370 nan 0.000 0.485 417 G N -0.552 108.311 108.800 0.105 0.000 2.576 417 G HA2 0.027 3.987 3.960 0.000 0.000 0.686 417 G HA3 0.027 3.987 3.960 0.000 0.000 0.686 417 G C 0.628 175.592 174.900 0.107 0.000 1.242 417 G CA 0.396 45.548 45.100 0.086 0.000 0.819 417 G HN 0.644 nan 8.290 nan 0.000 0.655 418 S N -0.741 114.999 115.700 0.065 0.000 2.423 418 S HA -0.037 4.433 4.470 0.000 0.000 0.231 418 S C 2.235 176.861 174.600 0.042 0.000 1.014 418 S CA 2.042 60.277 58.200 0.058 0.000 0.965 418 S CB 0.043 63.275 63.200 0.053 0.000 0.785 418 S HN 1.215 nan 8.310 nan 0.000 0.495 419 V N 1.029 120.938 119.914 -0.008 0.000 2.273 419 V HA -0.004 4.116 4.120 0.000 0.000 0.242 419 V C 2.043 177.982 176.094 -0.259 0.000 1.035 419 V CA 1.708 63.925 62.300 -0.139 0.000 1.013 419 V CB -0.955 30.681 31.823 -0.312 0.000 0.652 419 V HN 0.517 nan 8.190 nan 0.000 0.452 420 F N 2.005 121.736 119.950 -0.365 0.000 2.091 420 F HA -0.249 4.279 4.527 0.000 0.000 0.299 420 F C 2.285 178.090 175.800 0.009 0.000 1.103 420 F CA 2.194 60.101 58.000 -0.156 0.000 1.228 420 F CB -0.384 38.604 39.000 -0.020 0.000 0.984 420 F HN 0.194 nan 8.300 nan 0.000 0.477 421 N N 0.088 118.816 118.700 0.046 0.000 2.270 421 N HA -0.044 4.696 4.740 0.000 0.000 0.181 421 N C 1.485 176.960 175.510 -0.058 0.000 1.016 421 N CA 1.232 54.270 53.050 -0.020 0.000 0.870 421 N CB -0.130 38.423 38.487 0.110 0.000 0.979 421 N HN 0.433 nan 8.380 nan 0.000 0.431 422 R N -1.787 118.705 120.500 -0.014 0.000 2.556 422 R HA 0.122 4.462 4.340 0.000 0.000 0.276 422 R C -0.420 175.890 176.300 0.017 0.000 0.931 422 R CA -0.319 55.779 56.100 -0.003 0.000 1.061 422 R CB 0.544 30.848 30.300 0.007 0.000 1.432 422 R HN 0.087 nan 8.270 nan 0.000 0.547 423 Y N 5.635 125.907 120.300 -0.046 0.000 2.480 423 Y HA 0.130 4.680 4.550 0.000 0.000 0.341 423 Y C -2.009 173.922 175.900 0.052 0.000 1.031 423 Y CA -2.212 55.895 58.100 0.012 0.000 1.295 423 Y CB 0.658 39.125 38.460 0.011 0.000 1.162 423 Y HN -0.064 nan 8.280 nan 0.000 0.523 424 P HA 0.075 nan 4.420 nan 0.000 0.267 424 P C 0.590 177.971 177.300 0.135 0.000 1.205 424 P CA 1.210 64.293 63.100 -0.029 0.000 0.765 424 P CB 1.090 32.715 31.700 -0.125 0.000 0.828 425 G N 2.699 111.570 108.800 0.117 0.000 2.184 425 G HA2 -0.387 3.574 3.960 0.000 0.000 0.264 425 G HA3 -0.387 3.574 3.960 0.000 0.000 0.264 425 G C 0.694 175.698 174.900 0.173 0.000 0.975 425 G CA 0.478 45.652 45.100 0.122 0.000 0.642 425 G HN 0.562 nan 8.290 nan 0.000 0.536 426 Y N 1.075 121.467 120.300 0.153 0.000 2.224 426 Y HA -0.020 4.530 4.550 0.000 0.000 0.289 426 Y C 2.696 178.639 175.900 0.072 0.000 1.146 426 Y CA 2.582 60.760 58.100 0.130 0.000 1.182 426 Y CB -0.131 38.412 38.460 0.140 0.000 0.983 426 Y HN 0.366 nan 8.280 nan 0.000 0.524 427 K N -0.145 120.334 120.400 0.132 0.000 2.057 427 K HA -0.180 4.140 4.320 0.000 0.000 0.206 427 K C 1.814 178.439 176.600 0.041 0.000 1.050 427 K CA 1.764 58.100 56.287 0.082 0.000 0.935 427 K CB -0.112 32.369 32.500 -0.030 0.000 0.715 427 K HN 0.245 nan 8.250 nan 0.000 0.439 428 E N 1.003 121.214 120.200 0.018 0.000 2.085 428 E HA -0.166 4.184 4.350 0.000 0.000 0.194 428 E C 1.705 178.308 176.600 0.006 0.000 0.994 428 E CA 1.379 57.790 56.400 0.018 0.000 0.801 428 E CB 0.039 29.750 29.700 0.019 0.000 0.743 428 E HN 0.189 nan 8.360 nan 0.000 0.453 429 K N 0.090 120.454 120.400 -0.060 0.000 2.025 429 K HA -0.055 4.265 4.320 0.000 0.000 0.207 429 K C 2.189 178.713 176.600 -0.126 0.000 1.049 429 K CA 1.169 57.389 56.287 -0.112 0.000 0.933 429 K CB -0.216 32.150 32.500 -0.222 0.000 0.714 429 K HN 0.125 nan 8.250 nan 0.000 0.438 430 A N 1.445 124.140 122.820 -0.209 0.000 1.908 430 A HA -0.163 4.157 4.320 0.000 0.000 0.218 430 A C 2.357 180.003 177.584 0.104 0.000 1.181 430 A CA 2.031 54.029 52.037 -0.066 0.000 0.627 430 A CB -0.782 18.212 19.000 -0.010 0.000 0.818 430 A HN 0.359 nan 8.150 nan 0.000 0.445 431 A N -1.259 121.655 122.820 0.157 0.000 1.930 431 A HA -0.147 4.173 4.320 0.000 0.000 0.217 431 A C 2.140 179.944 177.584 0.367 0.000 1.175 431 A CA 2.028 54.258 52.037 0.323 0.000 0.627 431 A CB -0.484 18.636 19.000 0.201 0.000 0.815 431 A HN 0.516 nan 8.150 nan 0.000 0.443 432 Q N 0.004 119.932 119.800 0.212 0.000 2.124 432 Q HA -0.053 4.287 4.340 0.000 0.000 0.202 432 Q C 2.033 178.083 176.000 0.082 0.000 0.977 432 Q CA 2.118 58.017 55.803 0.160 0.000 0.850 432 Q CB -0.606 28.186 28.738 0.091 0.000 0.901 432 Q HN 0.564 nan 8.270 nan 0.000 0.429 433 A N -0.111 122.742 122.820 0.054 0.000 1.898 433 A HA -0.119 4.201 4.320 0.000 0.000 0.216 433 A C 2.111 179.684 177.584 -0.019 0.000 1.181 433 A CA 1.352 53.395 52.037 0.009 0.000 0.620 433 A CB -0.770 18.235 19.000 0.007 0.000 0.819 433 A HN 0.437 nan 8.150 nan 0.000 0.442 434 L N -0.464 120.785 121.223 0.044 0.000 2.012 434 L HA -0.235 4.105 4.340 0.000 0.000 0.210 434 L C 2.635 179.279 176.870 -0.376 0.000 1.073 434 L CA 2.071 56.903 54.840 -0.014 0.000 0.748 434 L CB -0.417 41.786 42.059 0.241 0.000 0.891 434 L HN 0.468 nan 8.230 nan 0.000 0.431 435 K N 0.023 120.284 120.400 -0.231 0.000 2.032 435 K HA -0.227 4.093 4.320 0.000 0.000 0.209 435 K C 1.726 178.138 176.600 -0.313 0.000 1.048 435 K CA 1.939 58.035 56.287 -0.319 0.000 0.927 435 K CB -0.057 32.449 32.500 0.010 0.000 0.712 435 K HN 0.243 nan 8.250 nan 0.000 0.441 436 D N 0.731 121.026 120.400 -0.176 0.000 2.144 436 D HA -0.155 4.485 4.640 0.000 0.000 0.199 436 D C 1.946 178.104 176.300 -0.238 0.000 0.984 436 D CA 1.105 55.012 54.000 -0.154 0.000 0.834 436 D CB -0.123 40.626 40.800 -0.085 0.000 0.955 436 D HN 0.309 nan 8.370 nan 0.000 0.465 437 I N -0.369 120.012 120.570 -0.315 0.000 2.179 437 I HA -0.286 3.885 4.170 0.000 0.000 0.242 437 I C 1.681 177.395 176.117 -0.673 0.000 1.088 437 I CA 1.152 62.171 61.300 -0.468 0.000 1.357 437 I CB -0.133 37.551 38.000 -0.527 0.000 1.051 437 I HN 0.010 nan 8.210 nan 0.000 0.409 438 Y N -0.090 119.813 120.300 -0.663 0.000 2.466 438 Y HA 0.115 4.665 4.550 0.000 0.000 0.272 438 Y C 0.981 176.531 175.900 -0.583 0.000 1.169 438 Y CA 0.028 57.667 58.100 -0.769 0.000 1.285 438 Y CB -0.434 37.152 38.460 -1.456 0.000 1.078 438 Y HN 0.218 nan 8.280 nan 0.000 0.523 439 N N 0.567 119.061 118.700 -0.343 0.000 2.705 439 N HA -0.203 4.537 4.740 0.000 0.000 0.255 439 N C -1.089 174.411 175.510 -0.018 0.000 1.008 439 N CA -0.223 52.738 53.050 -0.148 0.000 0.742 439 N CB -0.574 37.857 38.487 -0.092 0.000 0.906 439 N HN 0.281 nan 8.380 nan 0.000 0.541 440 W N 0.715 122.021 121.300 0.010 0.000 2.218 440 W HA 0.223 4.883 4.660 0.000 0.000 0.326 440 W C 0.851 177.362 176.519 -0.012 0.000 1.276 440 W CA -0.309 57.028 57.345 -0.015 0.000 1.210 440 W CB 0.203 29.614 29.460 -0.081 0.000 1.143 440 W HN 0.173 nan 8.180 nan 0.000 0.563 441 D N 2.471 123.008 120.400 0.229 0.000 2.441 441 D HA 0.303 4.943 4.640 0.000 0.000 0.221 441 D C -1.164 175.213 176.300 0.128 0.000 1.156 441 D CA 0.089 54.174 54.000 0.142 0.000 0.896 441 D CB 0.496 41.354 40.800 0.097 0.000 1.028 441 D HN 0.107 nan 8.370 nan 0.000 0.509 442 V N 3.507 123.508 119.914 0.144 0.000 2.950 442 V HA 0.179 4.299 4.120 0.000 0.000 0.295 442 V C 0.619 176.809 176.094 0.161 0.000 1.297 442 V CA -0.557 61.820 62.300 0.127 0.000 0.962 442 V CB 2.105 33.997 31.823 0.115 0.000 1.081 442 V HN 0.518 nan 8.190 nan 0.000 0.432 443 E N 4.423 124.689 120.200 0.111 0.000 2.021 443 E HA 0.135 4.486 4.350 0.000 0.000 0.189 443 E C 0.342 177.001 176.600 0.099 0.000 0.980 443 E CA 0.809 57.263 56.400 0.091 0.000 0.803 443 E CB 0.297 30.028 29.700 0.051 0.000 0.766 443 E HN 0.664 nan 8.360 nan 0.000 0.449 444 K N 0.549 120.988 120.400 0.065 0.000 2.221 444 K HA 0.199 4.519 4.320 0.000 0.000 0.258 444 K C 0.881 177.409 176.600 -0.119 0.000 0.944 444 K CA -0.298 55.986 56.287 -0.005 0.000 0.823 444 K CB 1.493 33.979 32.500 -0.023 0.000 1.113 444 K HN 0.173 nan 8.250 nan 0.000 0.431 445 M N 1.478 120.900 119.600 -0.296 0.000 2.267 445 M HA -0.197 4.283 4.480 0.000 0.000 0.263 445 M C 1.347 177.374 176.300 -0.455 0.000 1.063 445 M CA 1.748 56.583 55.300 -0.775 0.000 1.090 445 M CB -0.515 31.776 32.600 -0.515 0.000 1.392 445 M HN 0.617 nan 8.290 nan 0.000 0.422 446 E N 0.526 120.601 120.200 -0.208 0.000 2.338 446 E HA -0.166 4.184 4.350 0.000 0.000 0.197 446 E C 0.379 176.926 176.600 -0.089 0.000 1.007 446 E CA 1.134 57.461 56.400 -0.122 0.000 0.849 446 E CB -0.384 29.271 29.700 -0.074 0.000 0.774 446 E HN 0.599 nan 8.360 nan 0.000 0.506 447 D N 0.630 120.983 120.400 -0.078 0.000 2.340 447 D HA 0.037 4.677 4.640 0.000 0.000 0.217 447 D C -0.306 175.954 176.300 -0.066 0.000 1.081 447 D CA 0.040 54.009 54.000 -0.052 0.000 0.842 447 D CB -0.091 40.690 40.800 -0.033 0.000 0.934 447 D HN 0.173 nan 8.370 nan 0.000 0.511 448 H N 1.002 119.930 119.070 -0.238 0.000 2.964 448 H HA 0.040 4.597 4.556 0.000 0.000 0.328 448 H C -1.225 173.706 175.328 -0.661 0.000 1.030 448 H CA -1.528 54.205 56.048 -0.526 0.000 1.445 448 H CB 0.458 30.064 29.762 -0.260 0.000 1.449 448 H HN -0.083 nan 8.280 nan 0.000 0.581 449 P HA -0.091 nan 4.420 nan 0.000 0.216 449 P C -0.032 177.071 177.300 -0.330 0.000 1.150 449 P CA 1.392 64.116 63.100 -0.627 0.000 0.837 449 P CB 0.450 31.703 31.700 -0.746 0.000 0.786 450 I N -0.106 120.297 120.570 -0.279 0.000 2.382 450 I HA 0.248 4.418 4.170 0.000 0.000 0.286 450 I C -0.068 176.151 176.117 0.169 0.000 1.002 450 I CA -0.658 60.679 61.300 0.062 0.000 1.135 450 I CB 1.447 39.554 38.000 0.179 0.000 1.288 450 I HN -0.076 nan 8.210 nan 0.000 0.448 451 Q N 5.779 125.661 119.800 0.136 0.000 2.379 451 Q HA 0.646 4.986 4.340 0.000 0.000 0.278 451 Q C -1.700 174.348 176.000 0.080 0.000 1.068 451 Q CA -1.136 54.745 55.803 0.130 0.000 0.816 451 Q CB 2.549 31.315 28.738 0.046 0.000 1.387 451 Q HN 0.317 nan 8.270 nan 0.000 0.413 452 L N 2.041 123.339 121.223 0.125 0.000 2.380 452 L HA 0.528 4.868 4.340 0.000 0.000 0.273 452 L C -0.185 176.735 176.870 0.084 0.000 1.138 452 L CA -0.064 54.831 54.840 0.091 0.000 0.832 452 L CB 1.500 43.688 42.059 0.216 0.000 1.124 452 L HN 0.629 nan 8.230 nan 0.000 0.454 453 V N 0.184 120.090 119.914 -0.014 0.000 3.007 453 V HA 0.915 5.035 4.120 0.000 0.000 0.311 453 V C -0.069 176.064 176.094 0.066 0.000 1.120 453 V CA -1.278 61.035 62.300 0.022 0.000 0.980 453 V CB 1.535 33.258 31.823 -0.167 0.000 1.033 453 V HN 0.881 nan 8.190 nan 0.000 0.429 454 A N 2.513 125.452 122.820 0.199 0.000 2.524 454 A HA 0.716 5.036 4.320 0.000 0.000 0.250 454 A C 0.841 178.483 177.584 0.098 0.000 1.078 454 A CA 0.423 52.606 52.037 0.243 0.000 0.761 454 A CB -0.293 18.858 19.000 0.251 0.000 1.012 454 A HN 2.278 nan 8.150 nan 0.000 0.500 455 A N 3.060 125.907 122.820 0.045 0.000 2.406 455 A HA 0.456 4.776 4.320 0.000 0.000 0.243 455 A C 0.614 178.251 177.584 0.087 0.000 1.082 455 A CA -0.348 51.712 52.037 0.040 0.000 0.786 455 A CB 0.094 19.092 19.000 -0.002 0.000 1.029 455 A HN 0.847 nan 8.150 nan 0.000 0.495 456 E N 0.450 120.710 120.200 0.100 0.000 2.391 456 E HA 0.040 4.390 4.350 0.000 0.000 0.255 456 E C -0.486 176.153 176.600 0.065 0.000 1.187 456 E CA -0.293 56.181 56.400 0.122 0.000 0.941 456 E CB 0.378 30.170 29.700 0.153 0.000 1.010 456 E HN 0.655 nan 8.360 nan 0.000 0.458 457 D N 0.405 120.835 120.400 0.050 0.000 2.356 457 D HA 0.005 4.645 4.640 0.000 0.000 0.272 457 D C 1.074 177.358 176.300 -0.027 0.000 1.337 457 D CA 0.303 54.310 54.000 0.012 0.000 0.970 457 D CB 0.137 40.940 40.800 0.005 0.000 1.092 457 D HN 0.490 nan 8.370 nan 0.000 0.516 458 G N 2.489 111.282 108.800 -0.011 0.000 2.402 458 G HA2 -0.232 3.728 3.960 0.000 0.000 0.216 458 G HA3 -0.232 3.728 3.960 0.000 0.000 0.216 458 G C 1.409 176.294 174.900 -0.025 0.000 1.162 458 G CA 0.846 45.932 45.100 -0.023 0.000 0.777 458 G HN 0.557 nan 8.290 nan 0.000 0.539 459 S N -0.141 115.554 115.700 -0.008 0.000 2.527 459 S HA 0.318 4.788 4.470 0.000 0.000 0.222 459 S C 1.867 176.479 174.600 0.020 0.000 0.985 459 S CA 0.917 59.124 58.200 0.011 0.000 0.921 459 S CB 0.338 63.553 63.200 0.025 0.000 0.772 459 S HN 0.460 nan 8.310 nan 0.000 0.529 460 G N 1.420 110.215 108.800 -0.009 0.000 2.534 460 G HA2 0.211 4.171 3.960 0.000 0.000 0.220 460 G HA3 0.211 4.171 3.960 0.000 0.000 0.220 460 G C 1.132 175.985 174.900 -0.079 0.000 1.699 460 G CA 0.410 45.496 45.100 -0.023 0.000 0.769 460 G HN 0.267 nan 8.290 nan 0.000 0.632 461 V N 2.101 121.924 119.914 -0.153 0.000 2.278 461 V HA -0.146 3.974 4.120 0.000 0.000 0.251 461 V C 3.145 179.096 176.094 -0.239 0.000 1.062 461 V CA 2.521 64.637 62.300 -0.307 0.000 1.038 461 V CB -1.167 30.309 31.823 -0.579 0.000 0.646 461 V HN 0.474 nan 8.190 nan 0.000 0.447 462 G N -0.763 107.944 108.800 -0.155 0.000 2.418 462 G HA2 -0.202 3.758 3.960 0.000 0.000 0.217 462 G HA3 -0.202 3.758 3.960 0.000 0.000 0.217 462 G C 1.732 176.579 174.900 -0.088 0.000 1.158 462 G CA 1.061 46.096 45.100 -0.109 0.000 0.771 462 G HN 0.651 nan 8.290 nan 0.000 0.545 463 A N 0.957 123.745 122.820 -0.053 0.000 1.969 463 A HA 0.370 4.690 4.320 0.000 0.000 0.218 463 A C 2.768 180.335 177.584 -0.027 0.000 1.169 463 A CA 2.001 54.029 52.037 -0.014 0.000 0.635 463 A CB -0.598 18.427 19.000 0.042 0.000 0.810 463 A HN 0.710 nan 8.150 nan 0.000 0.445 464 A N 0.069 122.859 122.820 -0.050 0.000 1.898 464 A HA -0.030 4.291 4.320 0.000 0.000 0.216 464 A C 2.076 179.554 177.584 -0.176 0.000 1.181 464 A CA 1.402 53.423 52.037 -0.026 0.000 0.620 464 A CB -0.562 18.452 19.000 0.022 0.000 0.819 464 A HN 0.485 nan 8.150 nan 0.000 0.442 465 I N -0.441 119.978 120.570 -0.252 0.000 2.226 465 I HA -0.248 3.922 4.170 0.000 0.000 0.245 465 I C 2.224 178.176 176.117 -0.274 0.000 1.100 465 I CA 1.276 62.364 61.300 -0.353 0.000 1.374 465 I CB -0.323 37.477 38.000 -0.332 0.000 1.057 465 I HN 0.272 nan 8.210 nan 0.000 0.413 466 I N 0.786 121.262 120.570 -0.156 0.000 2.286 466 I HA -0.274 3.897 4.170 0.000 0.000 0.248 466 I C 2.758 178.810 176.117 -0.108 0.000 1.115 466 I CA 1.249 62.492 61.300 -0.095 0.000 1.392 466 I CB -0.394 37.581 38.000 -0.042 0.000 1.065 466 I HN 0.181 nan 8.210 nan 0.000 0.418 467 A N -0.249 122.504 122.820 -0.111 0.000 1.902 467 A HA -0.289 4.031 4.320 0.000 0.000 0.217 467 A C 2.543 180.011 177.584 -0.193 0.000 1.181 467 A CA 1.837 53.836 52.037 -0.063 0.000 0.623 467 A CB -1.346 17.686 19.000 0.053 0.000 0.818 467 A HN 0.631 nan 8.150 nan 0.000 0.443 468 C N -0.212 118.714 119.300 -0.623 0.000 2.413 468 C HA -0.088 4.372 4.460 0.000 0.000 0.277 468 C C 2.612 177.388 174.990 -0.357 0.000 1.228 468 C CA 1.322 59.752 59.018 -0.981 0.000 1.731 468 C CB -1.601 25.112 27.740 -1.713 0.000 2.042 468 C HN 0.576 nan 8.230 nan 0.000 0.468 469 L N 0.498 121.568 121.223 -0.254 0.000 2.046 469 L HA -0.118 4.222 4.340 0.000 0.000 0.208 469 L C 2.834 179.668 176.870 -0.061 0.000 1.077 469 L CA 2.156 56.928 54.840 -0.114 0.000 0.747 469 L CB -1.196 40.825 42.059 -0.063 0.000 0.896 469 L HN 0.396 nan 8.230 nan 0.000 0.432 470 T N -1.219 113.302 114.554 -0.054 0.000 2.737 470 T HA -0.248 4.102 4.350 0.000 0.000 0.265 470 T C 1.826 176.523 174.700 -0.005 0.000 1.038 470 T CA 1.512 63.603 62.100 -0.016 0.000 1.144 470 T CB -0.160 68.706 68.868 -0.004 0.000 0.866 470 T HN 0.210 nan 8.240 nan 0.000 0.434 471 Q N 1.632 121.435 119.800 0.005 0.000 2.124 471 Q HA -0.043 4.297 4.340 0.000 0.000 0.202 471 Q C 2.112 178.134 176.000 0.037 0.000 0.977 471 Q CA 1.704 57.534 55.803 0.045 0.000 0.850 471 Q CB -0.277 28.535 28.738 0.124 0.000 0.901 471 Q HN 0.484 nan 8.270 nan 0.000 0.429 472 K N -0.295 120.119 120.400 0.024 0.000 2.026 472 K HA -0.157 4.163 4.320 0.000 0.000 0.208 472 K C 2.135 178.741 176.600 0.011 0.000 1.048 472 K CA 1.371 57.671 56.287 0.022 0.000 0.929 472 K CB -0.054 32.453 32.500 0.012 0.000 0.713 472 K HN 0.170 nan 8.250 nan 0.000 0.439 473 R N 0.379 120.880 120.500 0.003 0.000 2.081 473 R HA -0.087 4.253 4.340 0.000 0.000 0.235 473 R C 2.437 178.735 176.300 -0.004 0.000 1.131 473 R CA 1.398 57.498 56.100 -0.000 0.000 0.960 473 R CB -0.338 29.962 30.300 0.000 0.000 0.856 473 R HN 0.251 nan 8.270 nan 0.000 0.436 474 L N 0.017 121.238 121.223 -0.003 0.000 2.093 474 L HA -0.111 4.229 4.340 0.000 0.000 0.208 474 L C 2.621 179.487 176.870 -0.005 0.000 1.085 474 L CA 1.045 55.879 54.840 -0.010 0.000 0.755 474 L CB -0.509 41.544 42.059 -0.010 0.000 0.904 474 L HN 0.247 nan 8.230 nan 0.000 0.435 475 A N -0.102 122.721 122.820 0.005 0.000 1.969 475 A HA -0.053 4.268 4.320 0.000 0.000 0.218 475 A C 2.398 179.984 177.584 0.003 0.000 1.169 475 A CA 1.483 53.525 52.037 0.008 0.000 0.635 475 A CB -0.446 18.566 19.000 0.021 0.000 0.810 475 A HN 0.383 nan 8.150 nan 0.000 0.445 476 A N -1.941 120.881 122.820 0.003 0.000 2.123 476 A HA 0.401 4.722 4.320 0.000 0.000 0.214 476 A C 1.836 179.417 177.584 -0.005 0.000 1.152 476 A CA 1.281 53.318 52.037 0.000 0.000 0.728 476 A CB -0.743 18.259 19.000 0.002 0.000 0.814 476 A HN 1.851 nan 8.150 nan 0.000 0.464 477 G N -0.544 108.250 108.800 -0.010 0.000 2.132 477 G HA2 -0.239 3.721 3.960 0.000 0.000 0.234 477 G HA3 -0.239 3.721 3.960 0.000 0.000 0.234 477 G C 0.047 174.937 174.900 -0.016 0.000 0.989 477 G CA 0.326 45.417 45.100 -0.016 0.000 0.676 477 G HN 0.560 nan 8.290 nan 0.000 0.522 478 K N 1.207 121.600 120.400 -0.012 0.000 2.322 478 K HA 0.451 4.771 4.320 0.000 0.000 0.283 478 K C 0.643 177.232 176.600 -0.018 0.000 1.042 478 K CA -0.161 56.120 56.287 -0.010 0.000 0.958 478 K CB 0.934 33.432 32.500 -0.003 0.000 0.984 478 K HN 0.200 nan 8.250 nan 0.000 0.473 479 S N 1.158 116.846 115.700 -0.020 0.000 2.560 479 S HA 0.022 4.493 4.470 0.000 0.000 0.284 479 S C 0.843 175.424 174.600 -0.032 0.000 1.327 479 S CA -0.735 57.439 58.200 -0.043 0.000 1.055 479 S CB 0.659 63.837 63.200 -0.037 0.000 0.868 479 S HN 0.570 nan 8.310 nan 0.000 0.506 480 V N -0.882 118.972 119.914 -0.099 0.000 3.017 480 V HA 0.753 4.873 4.120 0.000 0.000 0.354 480 V C 0.451 176.304 176.094 -0.402 0.000 1.389 480 V CA 0.187 62.434 62.300 -0.088 0.000 1.163 480 V CB -0.400 31.389 31.823 -0.057 0.000 1.178 480 V HN 0.969 nan 8.190 nan 0.000 0.547 481 G N 0.679 109.110 108.800 -0.614 0.000 2.428 481 G HA2 0.514 4.474 3.960 0.000 0.000 0.304 481 G HA3 0.514 4.474 3.960 0.000 0.000 0.304 481 G C -0.914 173.538 174.900 -0.748 0.000 1.303 481 G CA -0.365 43.889 45.100 -1.410 0.000 0.825 481 G HN 0.734 nan 8.290 nan 0.000 0.484 482 I N -1.305 118.909 120.570 -0.594 0.000 3.004 482 I HA 0.509 4.679 4.170 0.000 0.000 0.287 482 I C 0.278 176.314 176.117 -0.135 0.000 1.144 482 I CA -0.700 60.504 61.300 -0.161 0.000 1.353 482 I CB 0.487 38.471 38.000 -0.027 0.000 1.417 482 I HN 0.347 nan 8.210 nan 0.000 0.602 483 K N 3.065 123.431 120.400 -0.057 0.000 2.484 483 K HA 0.224 4.544 4.320 0.000 0.000 0.280 483 K C 1.017 177.580 176.600 -0.062 0.000 1.013 483 K CA 0.925 57.182 56.287 -0.051 0.000 1.029 483 K CB 0.203 32.690 32.500 -0.022 0.000 0.902 483 K HN 1.040 nan 8.250 nan 0.000 0.481 484 G N 1.458 110.219 108.800 -0.067 0.000 2.199 484 G HA2 -0.226 3.734 3.960 0.000 0.000 0.254 484 G HA3 -0.226 3.734 3.960 0.000 0.000 0.254 484 G C 0.131 174.983 174.900 -0.079 0.000 0.982 484 G CA -0.027 45.036 45.100 -0.062 0.000 0.632 484 G HN 0.563 nan 8.290 nan 0.000 0.529 485 E N 0.000 120.133 120.200 -0.112 0.000 2.725 485 E HA 0.000 4.350 4.350 0.000 0.000 0.291 485 E CA 0.000 56.322 56.400 -0.131 0.000 0.976 485 E CB 0.000 29.592 29.700 -0.180 0.000 0.812 485 E HN 0.000 nan 8.360 nan 0.000 0.440