REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2bex_1_A DATA FIRST_RESID 5 DATA SEQUENCE QSLDIQCEEL SDARWAELLP LLQQCQVVRL DDCGLTEARC KDISSALRVN DATA SEQUENCE PALAELNLRS NELGDVGVHC VLQGLQTPSC KIQKLSLQNC CLTGAGCGVL DATA SEQUENCE SSTLRTLPTL QELHLSDNLL GDAGLQLLCE GLLDPQCRLE KLQLEYCSLS DATA SEQUENCE AASCEPLASV LRAKPDFKEL TVSNNDINEA GVRVLCQGLK DSPCQLEALK DATA SEQUENCE LESCGVTSDN CRDLCGIVAS KASLRELALG SNKLGDVGMA ELCPGLLHPS DATA SEQUENCE SRLRTLWIWE CGITAKGCGD LCRVLRAKES LKELSLAGNE LGDEGARLLC DATA SEQUENCE ETLLEPGCQL ESLWVKSCSF TAACCSHFSS VLAQNRFLLE LQISNNRLED DATA SEQUENCE AGVRELCQGL GQPGSVLRVL WLADCDVSDS SCSSLAATLL ANHSLRELDL DATA SEQUENCE SNNCLGDAGI LQLVESVRQP GCLLEQLVLY DIYWSEEMED RLQALEKDKP DATA SEQUENCE SLRVIS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 5 Q HA 0.000 nan 4.340 nan 0.000 0.214 5 Q C 0.000 175.996 176.000 -0.006 0.000 1.003 5 Q CA 0.000 55.799 55.803 -0.007 0.000 1.022 5 Q CB 0.000 28.732 28.738 -0.009 0.000 1.108 6 S N 0.585 116.283 115.700 -0.004 0.000 2.541 6 S HA 0.801 5.271 4.470 0.000 0.000 0.280 6 S C -1.121 173.479 174.600 0.000 0.000 1.112 6 S CA -0.612 57.587 58.200 -0.001 0.000 0.925 6 S CB 1.513 64.715 63.200 0.003 0.000 1.067 6 S HN 1.573 nan 8.310 nan 0.000 0.479 7 L N 3.106 124.331 121.223 0.002 0.000 2.272 7 L HA 0.635 4.975 4.340 0.000 0.000 0.284 7 L C -1.194 175.687 176.870 0.019 0.000 1.045 7 L CA 0.031 54.874 54.840 0.006 0.000 0.842 7 L CB 0.358 42.417 42.059 0.000 0.000 1.224 7 L HN 0.538 nan 8.230 nan 0.000 0.430 8 D N 5.726 126.139 120.400 0.021 0.000 2.469 8 D HA 0.466 5.106 4.640 0.000 0.000 0.251 8 D C -1.073 175.247 176.300 0.033 0.000 1.173 8 D CA -0.052 53.965 54.000 0.027 0.000 0.882 8 D CB 0.872 41.685 40.800 0.021 0.000 1.129 8 D HN 0.507 nan 8.370 nan 0.000 0.549 9 I N 2.874 123.470 120.570 0.043 0.000 2.582 9 I HA 0.367 4.537 4.170 0.000 0.000 0.292 9 I C -0.514 175.629 176.117 0.044 0.000 1.066 9 I CA -0.843 60.484 61.300 0.046 0.000 1.053 9 I CB 2.219 40.257 38.000 0.062 0.000 1.241 9 I HN 0.284 nan 8.210 nan 0.000 0.421 10 Q N 3.694 123.516 119.800 0.037 0.000 2.345 10 Q HA 0.466 4.806 4.340 0.000 0.000 0.275 10 Q C -0.725 175.292 176.000 0.028 0.000 1.063 10 Q CA -0.805 55.018 55.803 0.033 0.000 0.819 10 Q CB 2.056 30.813 28.738 0.032 0.000 1.356 10 Q HN 0.784 nan 8.270 nan 0.000 0.418 11 C N 1.184 120.498 119.300 0.022 0.000 4.067 11 C HA -0.144 4.316 4.460 0.000 0.000 0.305 11 C C -0.544 174.456 174.990 0.017 0.000 1.305 11 C CA 1.080 60.108 59.018 0.016 0.000 2.111 11 C CB -2.556 25.194 27.740 0.017 0.000 1.339 11 C HN 0.820 nan 8.230 nan 0.000 0.668 12 E N -0.774 119.437 120.200 0.018 0.000 2.290 12 E HA 0.555 4.905 4.350 0.000 0.000 0.274 12 E C -0.091 176.517 176.600 0.015 0.000 0.889 12 E CA -0.034 56.379 56.400 0.020 0.000 0.760 12 E CB 1.560 31.279 29.700 0.032 0.000 1.206 12 E HN 0.476 nan 8.360 nan 0.000 0.419 13 E N 3.686 123.891 120.200 0.009 0.000 2.194 13 E HA 0.360 4.710 4.350 0.000 0.000 0.284 13 E C -0.572 176.037 176.600 0.014 0.000 1.035 13 E CA -0.270 56.129 56.400 -0.001 0.000 0.836 13 E CB 0.411 30.108 29.700 -0.006 0.000 1.070 13 E HN 0.350 nan 8.360 nan 0.000 0.401 14 L N 3.175 124.405 121.223 0.012 0.000 2.257 14 L HA 0.368 4.708 4.340 0.000 0.000 0.290 14 L C 0.994 177.892 176.870 0.046 0.000 1.044 14 L CA -0.877 53.998 54.840 0.058 0.000 0.810 14 L CB 1.337 43.468 42.059 0.121 0.000 1.193 14 L HN 0.719 nan 8.230 nan 0.000 0.425 15 S N 0.655 116.393 115.700 0.063 0.000 2.608 15 S HA 0.091 4.561 4.470 0.000 0.000 0.261 15 S C 0.728 175.391 174.600 0.106 0.000 1.314 15 S CA -0.701 57.532 58.200 0.055 0.000 0.992 15 S CB 1.107 64.336 63.200 0.047 0.000 0.935 15 S HN 0.590 nan 8.310 nan 0.000 0.564 16 D N 1.278 121.732 120.400 0.090 0.000 2.117 16 D HA -0.097 4.543 4.640 0.000 0.000 0.197 16 D C 2.207 178.604 176.300 0.161 0.000 0.987 16 D CA 1.734 55.819 54.000 0.142 0.000 0.829 16 D CB -0.721 40.134 40.800 0.091 0.000 0.961 16 D HN 0.713 nan 8.370 nan 0.000 0.460 17 A N 1.136 124.017 122.820 0.100 0.000 1.933 17 A HA -0.191 4.129 4.320 0.000 0.000 0.218 17 A C 2.204 179.836 177.584 0.080 0.000 1.175 17 A CA 1.668 53.749 52.037 0.074 0.000 0.628 17 A CB -0.372 18.657 19.000 0.047 0.000 0.814 17 A HN 0.068 nan 8.150 nan 0.000 0.444 18 R N -0.991 119.571 120.500 0.104 0.000 2.075 18 R HA -0.127 4.213 4.340 0.000 0.000 0.232 18 R C 2.051 178.441 176.300 0.151 0.000 1.126 18 R CA 1.631 57.793 56.100 0.104 0.000 0.963 18 R CB -0.695 29.669 30.300 0.108 0.000 0.858 18 R HN 0.780 nan 8.270 nan 0.000 0.435 19 W N 0.695 121.995 121.300 0.000 0.000 2.355 19 W HA -0.186 4.474 4.660 0.000 0.000 0.309 19 W C 1.610 178.129 176.519 0.001 0.000 1.206 19 W CA 1.516 58.862 57.345 0.001 0.000 1.284 19 W CB -0.265 29.196 29.460 0.001 0.000 1.145 19 W HN 0.284 nan 8.180 nan 0.000 0.502 20 A N 1.429 124.252 122.820 0.006 0.000 1.978 20 A HA -0.289 4.031 4.320 0.000 0.000 0.220 20 A C 1.742 179.233 177.584 -0.156 0.000 1.170 20 A CA 2.102 54.074 52.037 -0.109 0.000 0.636 20 A CB -0.965 18.037 19.000 0.004 0.000 0.810 20 A HN 0.665 nan 8.150 nan 0.000 0.448 21 E N -0.491 119.647 120.200 -0.102 0.000 2.478 21 E HA 0.143 4.493 4.350 0.000 0.000 0.194 21 E C 1.472 177.992 176.600 -0.134 0.000 1.045 21 E CA 0.235 56.578 56.400 -0.096 0.000 0.868 21 E CB -0.182 29.492 29.700 -0.043 0.000 0.885 21 E HN 0.596 nan 8.360 nan 0.000 0.505 22 L N 0.501 121.601 121.223 -0.204 0.000 2.354 22 L HA 0.074 4.414 4.340 0.000 0.000 0.212 22 L C 2.356 179.014 176.870 -0.352 0.000 1.091 22 L CA 0.071 54.777 54.840 -0.224 0.000 0.828 22 L CB -0.209 41.746 42.059 -0.174 0.000 0.973 22 L HN 0.133 nan 8.230 nan 0.000 0.461 23 L N 0.945 121.840 121.223 -0.545 0.000 1.991 23 L HA -0.234 4.106 4.340 0.000 0.000 0.221 23 L C -0.113 176.587 176.870 -0.283 0.000 1.079 23 L CA 2.096 56.615 54.840 -0.535 0.000 0.778 23 L CB -1.713 40.045 42.059 -0.503 0.000 0.893 23 L HN 0.248 nan 8.230 nan 0.000 0.437 24 P HA -0.209 nan 4.420 nan 0.000 0.218 24 P C 1.823 179.059 177.300 -0.107 0.000 1.146 24 P CA 1.614 64.638 63.100 -0.127 0.000 0.813 24 P CB -0.061 31.579 31.700 -0.099 0.000 0.778 25 L N -1.169 119.983 121.223 -0.119 0.000 2.141 25 L HA -0.109 4.231 4.340 0.000 0.000 0.209 25 L C 2.723 179.547 176.870 -0.077 0.000 1.094 25 L CA 0.943 55.732 54.840 -0.085 0.000 0.763 25 L CB -0.846 41.166 42.059 -0.077 0.000 0.908 25 L HN -0.077 nan 8.230 nan 0.000 0.437 26 L N -0.114 121.045 121.223 -0.107 0.000 2.191 26 L HA -0.210 4.130 4.340 0.000 0.000 0.212 26 L C 2.292 179.132 176.870 -0.049 0.000 1.103 26 L CA 1.179 55.975 54.840 -0.074 0.000 0.769 26 L CB -0.395 41.604 42.059 -0.100 0.000 0.908 26 L HN 0.501 nan 8.230 nan 0.000 0.438 27 Q N -1.329 118.437 119.800 -0.056 0.000 2.220 27 Q HA 0.040 4.381 4.340 0.000 0.000 0.205 27 Q C 1.192 177.172 176.000 -0.033 0.000 0.865 27 Q CA -0.025 55.755 55.803 -0.038 0.000 0.960 27 Q CB 0.452 29.166 28.738 -0.040 0.000 1.097 27 Q HN 0.516 nan 8.270 nan 0.000 0.493 28 Q N -0.211 119.567 119.800 -0.036 0.000 2.534 28 Q HA 0.206 4.546 4.340 0.000 0.000 0.252 28 Q C 0.148 176.134 176.000 -0.023 0.000 0.850 28 Q CA 0.056 55.842 55.803 -0.029 0.000 0.974 28 Q CB 0.974 29.691 28.738 -0.034 0.000 1.205 28 Q HN 0.282 nan 8.270 nan 0.000 0.593 29 C N 2.223 121.508 119.300 -0.024 0.000 2.605 29 C HA 0.092 4.552 4.460 0.000 0.000 0.404 29 C C 1.661 176.643 174.990 -0.013 0.000 1.284 29 C CA -0.151 58.856 59.018 -0.018 0.000 2.199 29 C CB 0.565 28.295 27.740 -0.016 0.000 2.647 29 C HN 0.510 nan 8.230 nan 0.000 0.604 30 Q N 0.630 120.423 119.800 -0.011 0.000 2.245 30 Q HA 0.049 4.389 4.340 0.000 0.000 0.201 30 Q C -0.070 175.924 176.000 -0.009 0.000 0.955 30 Q CA 0.901 56.698 55.803 -0.010 0.000 0.870 30 Q CB 0.212 28.944 28.738 -0.010 0.000 0.945 30 Q HN 0.649 nan 8.270 nan 0.000 0.461 31 V N 1.206 121.116 119.914 -0.007 0.000 2.444 31 V HA 0.269 4.389 4.120 0.000 0.000 0.294 31 V C -0.650 175.445 176.094 0.001 0.000 1.022 31 V CA -0.615 61.682 62.300 -0.004 0.000 0.850 31 V CB 1.981 33.802 31.823 -0.003 0.000 0.992 31 V HN -0.189 nan 8.190 nan 0.000 0.426 32 V N 6.008 125.926 119.914 0.006 0.000 2.326 32 V HA 0.535 4.655 4.120 0.000 0.000 0.281 32 V C -0.007 176.104 176.094 0.027 0.000 1.015 32 V CA -0.576 61.735 62.300 0.018 0.000 0.823 32 V CB 1.484 33.320 31.823 0.022 0.000 1.009 32 V HN 0.850 nan 8.190 nan 0.000 0.436 33 R N 5.407 125.926 120.500 0.032 0.000 2.409 33 R HA 0.682 5.022 4.340 0.000 0.000 0.313 33 R C -1.494 174.838 176.300 0.053 0.000 0.953 33 R CA -0.570 55.552 56.100 0.037 0.000 0.849 33 R CB 1.111 31.428 30.300 0.029 0.000 1.171 33 R HN 0.707 nan 8.270 nan 0.000 0.458 34 L N 4.342 125.602 121.223 0.062 0.000 2.488 34 L HA 0.288 4.629 4.340 0.000 0.000 0.250 34 L C -0.804 176.097 176.870 0.052 0.000 1.280 34 L CA -0.749 54.135 54.840 0.074 0.000 0.929 34 L CB 1.367 43.495 42.059 0.116 0.000 1.200 34 L HN 0.547 nan 8.230 nan 0.000 0.495 35 D N 2.505 122.931 120.400 0.043 0.000 2.325 35 D HA 0.060 4.700 4.640 0.000 0.000 0.251 35 D C 0.357 176.672 176.300 0.025 0.000 1.196 35 D CA 0.280 54.300 54.000 0.034 0.000 0.866 35 D CB 0.923 41.744 40.800 0.036 0.000 1.101 35 D HN 0.439 nan 8.370 nan 0.000 0.476 36 D N 2.894 123.302 120.400 0.015 0.000 2.737 36 D HA -0.226 4.414 4.640 0.000 0.000 0.238 36 D C -0.441 175.860 176.300 0.002 0.000 1.157 36 D CA 0.318 54.320 54.000 0.004 0.000 0.694 36 D CB -1.299 39.504 40.800 0.005 0.000 1.021 36 D HN 0.317 nan 8.370 nan 0.000 0.420 37 C N 0.905 120.202 119.300 -0.004 0.000 2.647 37 C HA 0.654 5.115 4.460 0.000 0.000 0.296 37 C C 1.908 176.868 174.990 -0.049 0.000 1.403 37 C CA -0.016 58.997 59.018 -0.007 0.000 1.781 37 C CB -0.536 27.218 27.740 0.023 0.000 2.464 37 C HN 0.906 nan 8.230 nan 0.000 0.559 38 G N 1.617 110.385 108.800 -0.054 0.000 2.233 38 G HA2 -0.264 3.696 3.960 0.000 0.000 0.270 38 G HA3 -0.264 3.696 3.960 0.000 0.000 0.270 38 G C 0.073 174.896 174.900 -0.129 0.000 1.011 38 G CA 0.113 45.166 45.100 -0.078 0.000 0.762 38 G HN 0.620 nan 8.290 nan 0.000 0.511 39 L N 0.768 121.905 121.223 -0.143 0.000 2.426 39 L HA 0.560 4.900 4.340 0.000 0.000 0.271 39 L C 1.249 178.027 176.870 -0.153 0.000 1.169 39 L CA 0.496 55.208 54.840 -0.213 0.000 0.836 39 L CB 0.867 42.809 42.059 -0.194 0.000 1.112 39 L HN 0.466 nan 8.230 nan 0.000 0.465 40 T N -2.897 111.553 114.554 -0.173 0.000 2.831 40 T HA 0.164 4.514 4.350 0.000 0.000 0.287 40 T C 0.605 175.244 174.700 -0.102 0.000 1.070 40 T CA -0.787 61.244 62.100 -0.116 0.000 1.010 40 T CB 1.576 70.381 68.868 -0.104 0.000 1.264 40 T HN 0.652 nan 8.240 nan 0.000 0.532 41 E N 0.075 120.233 120.200 -0.071 0.000 2.209 41 E HA -0.180 4.170 4.350 0.000 0.000 0.196 41 E C 2.077 178.648 176.600 -0.048 0.000 0.993 41 E CA 1.278 57.649 56.400 -0.050 0.000 0.819 41 E CB -0.481 29.194 29.700 -0.041 0.000 0.745 41 E HN 0.734 nan 8.360 nan 0.000 0.477 42 A N 0.893 123.672 122.820 -0.068 0.000 2.070 42 A HA -0.120 4.200 4.320 0.000 0.000 0.220 42 A C 1.985 179.528 177.584 -0.068 0.000 1.159 42 A CA 1.104 53.104 52.037 -0.062 0.000 0.656 42 A CB -0.198 18.757 19.000 -0.076 0.000 0.800 42 A HN 0.156 nan 8.150 nan 0.000 0.453 43 R N -2.044 118.384 120.500 -0.120 0.000 2.472 43 R HA 0.163 4.503 4.340 0.000 0.000 0.279 43 R C 1.146 177.461 176.300 0.025 0.000 0.953 43 R CA 0.125 56.155 56.100 -0.118 0.000 1.088 43 R CB -0.192 29.792 30.300 -0.526 0.000 1.197 43 R HN 0.522 nan 8.270 nan 0.000 0.536 44 C N 0.936 120.244 119.300 0.013 0.000 2.435 44 C HA -0.008 4.452 4.460 0.000 0.000 0.279 44 C C 2.244 177.286 174.990 0.086 0.000 1.321 44 C CA 0.637 59.686 59.018 0.051 0.000 1.752 44 C CB -0.256 27.499 27.740 0.025 0.000 1.959 44 C HN 0.347 nan 8.230 nan 0.000 0.500 45 K N 1.055 121.504 120.400 0.081 0.000 2.057 45 K HA -0.094 4.226 4.320 0.000 0.000 0.206 45 K C 1.474 178.141 176.600 0.111 0.000 1.050 45 K CA 1.339 57.675 56.287 0.082 0.000 0.935 45 K CB -0.733 31.807 32.500 0.067 0.000 0.715 45 K HN 0.502 nan 8.250 nan 0.000 0.439 46 D N 0.972 121.478 120.400 0.175 0.000 2.123 46 D HA -0.123 4.517 4.640 0.000 0.000 0.196 46 D C 2.088 178.493 176.300 0.175 0.000 0.992 46 D CA 0.915 55.040 54.000 0.208 0.000 0.833 46 D CB -0.204 40.852 40.800 0.426 0.000 0.954 46 D HN 0.179 nan 8.370 nan 0.000 0.455 47 I N 0.418 121.131 120.570 0.239 0.000 2.142 47 I HA -0.260 3.910 4.170 0.000 0.000 0.240 47 I C 2.607 178.782 176.117 0.097 0.000 1.078 47 I CA 0.891 62.300 61.300 0.182 0.000 1.343 47 I CB -0.346 37.773 38.000 0.200 0.000 1.046 47 I HN -0.062 nan 8.210 nan 0.000 0.405 48 S N 0.282 116.033 115.700 0.087 0.000 2.359 48 S HA -0.213 4.257 4.470 0.000 0.000 0.224 48 S C 2.241 176.866 174.600 0.042 0.000 1.035 48 S CA 2.200 60.434 58.200 0.058 0.000 1.018 48 S CB -0.216 63.017 63.200 0.055 0.000 0.876 48 S HN 0.400 nan 8.310 nan 0.000 0.448 49 S N 1.092 116.818 115.700 0.043 0.000 2.382 49 S HA 0.020 4.490 4.470 0.000 0.000 0.228 49 S C 2.163 176.771 174.600 0.012 0.000 1.027 49 S CA 1.042 59.258 58.200 0.026 0.000 0.991 49 S CB -0.591 62.625 63.200 0.027 0.000 0.823 49 S HN 0.695 nan 8.310 nan 0.000 0.469 50 A N 1.497 124.324 122.820 0.010 0.000 1.898 50 A HA 0.061 4.381 4.320 0.000 0.000 0.216 50 A C 2.069 179.651 177.584 -0.004 0.000 1.181 50 A CA 0.975 53.005 52.037 -0.011 0.000 0.620 50 A CB -0.676 18.304 19.000 -0.032 0.000 0.819 50 A HN 0.450 nan 8.150 nan 0.000 0.442 51 L N -0.904 120.325 121.223 0.011 0.000 2.131 51 L HA -0.161 4.179 4.340 0.000 0.000 0.210 51 L C 2.643 179.517 176.870 0.006 0.000 1.092 51 L CA 1.146 55.992 54.840 0.010 0.000 0.759 51 L CB -0.526 41.546 42.059 0.021 0.000 0.903 51 L HN 0.354 nan 8.230 nan 0.000 0.435 52 R N -0.064 120.441 120.500 0.008 0.000 2.285 52 R HA -0.073 4.267 4.340 0.000 0.000 0.213 52 R C 1.723 178.023 176.300 0.000 0.000 1.068 52 R CA 1.332 57.435 56.100 0.005 0.000 1.004 52 R CB -0.041 30.264 30.300 0.008 0.000 0.873 52 R HN 0.446 nan 8.270 nan 0.000 0.467 53 V N -2.901 117.011 119.914 -0.003 0.000 3.556 53 V HA 0.169 4.289 4.120 0.000 0.000 0.287 53 V C 0.464 176.552 176.094 -0.010 0.000 1.422 53 V CA -0.545 61.750 62.300 -0.007 0.000 1.038 53 V CB -0.103 31.714 31.823 -0.010 0.000 0.850 53 V HN 0.025 nan 8.190 nan 0.000 0.437 54 N N 3.660 122.354 118.700 -0.010 0.000 2.438 54 N HA 0.151 4.891 4.740 0.000 0.000 0.267 54 N C -0.922 174.582 175.510 -0.010 0.000 1.222 54 N CA -0.801 52.241 53.050 -0.012 0.000 0.930 54 N CB 1.681 40.161 38.487 -0.011 0.000 1.083 54 N HN 0.310 nan 8.380 nan 0.000 0.476 55 P HA 0.015 nan 4.420 nan 0.000 0.229 55 P C -0.158 177.137 177.300 -0.009 0.000 1.160 55 P CA 0.672 63.766 63.100 -0.010 0.000 0.777 55 P CB 0.463 32.157 31.700 -0.010 0.000 0.814 56 A N -0.303 122.510 122.820 -0.010 0.000 2.843 56 A HA 0.326 4.646 4.320 0.000 0.000 0.248 56 A C -0.171 177.407 177.584 -0.010 0.000 0.904 56 A CA -0.441 51.590 52.037 -0.010 0.000 1.091 56 A CB -0.689 18.305 19.000 -0.010 0.000 1.208 56 A HN 0.117 nan 8.150 nan 0.000 0.476 57 L N 0.706 121.924 121.223 -0.010 0.000 2.534 57 L HA 0.472 4.812 4.340 0.000 0.000 0.271 57 L C 1.001 177.864 176.870 -0.012 0.000 1.178 57 L CA 1.168 56.002 54.840 -0.009 0.000 0.907 57 L CB 1.000 43.055 42.059 -0.006 0.000 1.164 57 L HN 0.399 nan 8.230 nan 0.000 0.482 58 A N 4.245 127.057 122.820 -0.014 0.000 2.127 58 A HA 0.273 4.593 4.320 0.000 0.000 0.204 58 A C 0.570 178.140 177.584 -0.024 0.000 1.243 58 A CA 0.050 52.076 52.037 -0.018 0.000 0.887 58 A CB 0.045 19.034 19.000 -0.018 0.000 0.933 58 A HN 0.704 nan 8.150 nan 0.000 0.479 59 E N -0.386 119.801 120.200 -0.021 0.000 2.290 59 E HA 0.516 4.866 4.350 0.000 0.000 0.274 59 E C -2.314 174.276 176.600 -0.017 0.000 0.889 59 E CA -0.625 55.759 56.400 -0.028 0.000 0.760 59 E CB 1.781 31.463 29.700 -0.029 0.000 1.206 59 E HN 0.149 nan 8.360 nan 0.000 0.419 60 L N 4.644 125.854 121.223 -0.021 0.000 2.376 60 L HA 0.559 4.899 4.340 0.000 0.000 0.275 60 L C -1.799 175.067 176.870 -0.007 0.000 0.987 60 L CA -0.425 54.413 54.840 -0.003 0.000 0.828 60 L CB 1.564 43.626 42.059 0.005 0.000 1.249 60 L HN 0.473 nan 8.230 nan 0.000 0.409 61 N N 5.626 124.332 118.700 0.009 0.000 2.491 61 N HA 0.384 5.124 4.740 0.000 0.000 0.274 61 N C -0.979 174.551 175.510 0.034 0.000 1.023 61 N CA -0.298 52.761 53.050 0.016 0.000 0.902 61 N CB 1.280 39.778 38.487 0.017 0.000 1.267 61 N HN 0.784 nan 8.380 nan 0.000 0.503 62 L N 2.284 123.529 121.223 0.036 0.000 3.202 62 L HA 0.351 4.691 4.340 0.000 0.000 0.278 62 L C 1.159 178.049 176.870 0.034 0.000 1.268 62 L CA -0.437 54.426 54.840 0.038 0.000 1.034 62 L CB 0.147 42.229 42.059 0.038 0.000 1.407 62 L HN 0.327 nan 8.230 nan 0.000 0.581 63 R N 0.777 121.302 120.500 0.041 0.000 2.697 63 R HA -0.056 4.284 4.340 0.000 0.000 0.265 63 R C 0.492 176.807 176.300 0.026 0.000 1.009 63 R CA 0.808 56.933 56.100 0.042 0.000 1.099 63 R CB 0.439 30.772 30.300 0.056 0.000 0.965 63 R HN 0.305 nan 8.270 nan 0.000 0.428 64 S N 1.795 117.505 115.700 0.018 0.000 3.682 64 S HA -0.151 4.319 4.470 0.000 0.000 0.354 64 S C -0.911 173.685 174.600 -0.006 0.000 1.034 64 S CA 0.838 59.041 58.200 0.004 0.000 1.084 64 S CB -1.082 62.120 63.200 0.004 0.000 0.903 64 S HN 0.710 nan 8.310 nan 0.000 0.470 65 N N 1.369 120.064 118.700 -0.009 0.000 2.314 65 N HA 0.190 4.930 4.740 0.000 0.000 0.294 65 N C -0.524 174.970 175.510 -0.028 0.000 1.029 65 N CA -0.557 52.478 53.050 -0.025 0.000 0.845 65 N CB 1.359 39.830 38.487 -0.027 0.000 1.321 65 N HN 0.361 nan 8.380 nan 0.000 0.481 66 E N 2.507 122.684 120.200 -0.038 0.000 1.999 66 E HA 0.090 4.440 4.350 0.000 0.000 0.296 66 E C 0.953 177.526 176.600 -0.045 0.000 1.187 66 E CA 0.030 56.407 56.400 -0.038 0.000 1.229 66 E CB 0.160 29.836 29.700 -0.040 0.000 1.131 66 E HN 0.445 nan 8.360 nan 0.000 0.478 67 L N 0.921 122.121 121.223 -0.039 0.000 2.127 67 L HA 0.136 4.476 4.340 0.000 0.000 0.203 67 L C 1.268 178.107 176.870 -0.052 0.000 1.080 67 L CA 0.514 55.328 54.840 -0.042 0.000 0.768 67 L CB -0.595 41.447 42.059 -0.027 0.000 0.924 67 L HN 0.585 nan 8.230 nan 0.000 0.444 68 G N 0.408 109.177 108.800 -0.052 0.000 2.814 68 G HA2 -0.240 3.720 3.960 0.000 0.000 0.677 68 G HA3 -0.240 3.720 3.960 0.000 0.000 0.677 68 G C -0.085 174.743 174.900 -0.119 0.000 1.429 68 G CA -0.140 44.918 45.100 -0.071 0.000 0.868 68 G HN 0.162 nan 8.290 nan 0.000 0.553 69 D N -0.563 119.735 120.400 -0.169 0.000 2.133 69 D HA -0.130 4.510 4.640 0.000 0.000 0.195 69 D C 2.740 178.738 176.300 -0.503 0.000 0.997 69 D CA 1.761 55.540 54.000 -0.368 0.000 0.840 69 D CB -0.234 40.356 40.800 -0.349 0.000 0.947 69 D HN 0.358 nan 8.370 nan 0.000 0.452 70 V N 0.947 120.703 119.914 -0.263 0.000 2.343 70 V HA -0.166 3.954 4.120 0.000 0.000 0.247 70 V C 2.548 178.593 176.094 -0.082 0.000 1.051 70 V CA 2.035 64.243 62.300 -0.154 0.000 1.036 70 V CB -0.958 30.822 31.823 -0.072 0.000 0.654 70 V HN 0.248 nan 8.190 nan 0.000 0.451 71 G N -0.313 108.442 108.800 -0.075 0.000 2.404 71 G HA2 -0.182 3.778 3.960 0.000 0.000 0.215 71 G HA3 -0.182 3.778 3.960 0.000 0.000 0.215 71 G C 1.666 176.566 174.900 0.000 0.000 1.174 71 G CA 1.153 46.235 45.100 -0.030 0.000 0.780 71 G HN 0.377 nan 8.290 nan 0.000 0.537 72 V N 0.483 120.386 119.914 -0.017 0.000 2.343 72 V HA -0.211 3.909 4.120 0.000 0.000 0.247 72 V C 2.402 178.597 176.094 0.168 0.000 1.051 72 V CA 2.079 64.412 62.300 0.055 0.000 1.036 72 V CB -0.877 30.977 31.823 0.052 0.000 0.654 72 V HN 0.537 nan 8.190 nan 0.000 0.451 73 H N -1.635 117.442 119.070 0.012 0.000 2.353 73 H HA -0.228 4.328 4.556 0.000 0.000 0.300 73 H C 2.532 177.869 175.328 0.014 0.000 1.090 73 H CA 1.542 57.598 56.048 0.013 0.000 1.327 73 H CB -0.141 29.627 29.762 0.011 0.000 1.383 73 H HN 0.518 nan 8.280 nan 0.000 0.508 74 C N 0.587 119.976 119.300 0.148 0.000 2.413 74 C HA -0.133 4.327 4.460 0.000 0.000 0.276 74 C C 2.834 177.868 174.990 0.073 0.000 1.236 74 C CA 0.916 59.987 59.018 0.088 0.000 1.735 74 C CB -1.086 26.690 27.740 0.059 0.000 2.031 74 C HN 0.323 nan 8.230 nan 0.000 0.474 75 V N 1.149 121.107 119.914 0.073 0.000 2.343 75 V HA -0.207 3.913 4.120 0.000 0.000 0.247 75 V C 2.476 178.605 176.094 0.058 0.000 1.051 75 V CA 2.223 64.561 62.300 0.064 0.000 1.036 75 V CB -0.674 31.185 31.823 0.061 0.000 0.654 75 V HN 0.608 nan 8.190 nan 0.000 0.451 76 L N -0.372 120.891 121.223 0.065 0.000 2.127 76 L HA -0.220 4.120 4.340 0.000 0.000 0.211 76 L C 2.775 179.661 176.870 0.027 0.000 1.089 76 L CA 1.304 56.171 54.840 0.044 0.000 0.757 76 L CB -0.670 41.416 42.059 0.044 0.000 0.899 76 L HN 0.386 nan 8.230 nan 0.000 0.434 77 Q N -0.156 119.663 119.800 0.032 0.000 2.181 77 Q HA -0.179 4.161 4.340 0.000 0.000 0.205 77 Q C 2.246 178.258 176.000 0.020 0.000 0.980 77 Q CA 1.686 57.502 55.803 0.022 0.000 0.862 77 Q CB -0.534 28.222 28.738 0.029 0.000 0.905 77 Q HN 0.620 nan 8.270 nan 0.000 0.429 78 G N 0.482 109.298 108.800 0.027 0.000 2.471 78 G HA2 -0.128 3.832 3.960 0.000 0.000 0.219 78 G HA3 -0.128 3.832 3.960 0.000 0.000 0.219 78 G C 1.316 176.225 174.900 0.016 0.000 1.125 78 G CA 0.217 45.332 45.100 0.024 0.000 0.775 78 G HN 0.270 nan 8.290 nan 0.000 0.548 79 L N -0.441 120.790 121.223 0.014 0.000 2.592 79 L HA 0.212 4.552 4.340 0.000 0.000 0.227 79 L C 1.356 178.228 176.870 0.003 0.000 1.127 79 L CA 0.056 54.901 54.840 0.007 0.000 0.884 79 L CB 0.266 42.330 42.059 0.007 0.000 1.065 79 L HN 0.167 nan 8.230 nan 0.000 0.457 80 Q N 1.531 121.333 119.800 0.003 0.000 3.207 80 Q HA 0.116 4.456 4.340 0.000 0.000 0.335 80 Q C -0.028 175.972 176.000 -0.000 0.000 1.374 80 Q CA -0.140 55.663 55.803 -0.001 0.000 1.023 80 Q CB 0.280 29.015 28.738 -0.004 0.000 1.576 80 Q HN 0.293 nan 8.270 nan 0.000 0.515 81 T N -3.974 110.580 114.554 -0.000 0.000 2.906 81 T HA 0.404 4.754 4.350 0.000 0.000 0.295 81 T C -1.984 172.715 174.700 -0.002 0.000 1.061 81 T CA -1.839 60.261 62.100 -0.001 0.000 1.000 81 T CB 1.759 70.627 68.868 0.000 0.000 1.103 81 T HN -0.050 nan 8.240 nan 0.000 0.486 82 P HA -0.065 nan 4.420 nan 0.000 0.220 82 P C 1.242 178.540 177.300 -0.003 0.000 1.148 82 P CA 0.923 64.022 63.100 -0.002 0.000 0.803 82 P CB -0.054 31.645 31.700 -0.002 0.000 0.782 83 S N -1.776 113.922 115.700 -0.003 0.000 2.605 83 S HA 0.048 4.518 4.470 0.000 0.000 0.217 83 S C 0.979 175.576 174.600 -0.005 0.000 0.958 83 S CA -0.555 57.643 58.200 -0.004 0.000 0.919 83 S CB -1.525 61.672 63.200 -0.004 0.000 0.780 83 S HN 0.189 nan 8.310 nan 0.000 0.507 84 C N 3.705 123.003 119.300 -0.004 0.000 2.627 84 C HA 0.393 4.853 4.460 0.000 0.000 0.404 84 C C 0.688 175.674 174.990 -0.007 0.000 1.340 84 C CA -0.284 58.731 59.018 -0.005 0.000 1.758 84 C CB -0.576 27.162 27.740 -0.003 0.000 2.501 84 C HN 0.356 nan 8.230 nan 0.000 0.588 85 K N 6.116 126.511 120.400 -0.009 0.000 2.934 85 K HA 0.213 4.533 4.320 0.000 0.000 0.210 85 K C 0.109 176.700 176.600 -0.014 0.000 1.122 85 K CA -0.184 56.097 56.287 -0.011 0.000 1.033 85 K CB 0.142 32.636 32.500 -0.010 0.000 0.779 85 K HN 0.845 nan 8.250 nan 0.000 0.459 86 I N 1.534 122.096 120.570 -0.014 0.000 2.775 86 I HA -0.196 3.974 4.170 0.000 0.000 0.290 86 I C 0.891 176.992 176.117 -0.027 0.000 1.203 86 I CA 0.811 62.099 61.300 -0.019 0.000 1.433 86 I CB 0.717 38.707 38.000 -0.017 0.000 1.354 86 I HN 0.335 nan 8.210 nan 0.000 0.579 87 Q N 5.800 125.579 119.800 -0.034 0.000 2.394 87 Q HA 0.206 4.546 4.340 0.000 0.000 0.218 87 Q C -0.403 175.560 176.000 -0.063 0.000 0.907 87 Q CA 0.468 56.245 55.803 -0.043 0.000 0.919 87 Q CB 0.533 29.247 28.738 -0.040 0.000 1.051 87 Q HN 0.565 nan 8.270 nan 0.000 0.538 88 K N 0.812 121.169 120.400 -0.070 0.000 2.427 88 K HA 0.546 4.866 4.320 0.000 0.000 0.252 88 K C -1.692 174.844 176.600 -0.107 0.000 0.931 88 K CA -0.723 55.497 56.287 -0.111 0.000 0.793 88 K CB 2.594 35.020 32.500 -0.123 0.000 1.211 88 K HN -0.139 nan 8.250 nan 0.000 0.426 89 L N 1.086 122.226 121.223 -0.139 0.000 2.470 89 L HA 0.449 4.789 4.340 0.000 0.000 0.268 89 L C -1.403 175.397 176.870 -0.118 0.000 0.964 89 L CA -0.084 54.699 54.840 -0.094 0.000 0.839 89 L CB 2.241 44.273 42.059 -0.045 0.000 1.276 89 L HN 0.620 nan 8.230 nan 0.000 0.403 90 S N 5.322 120.982 115.700 -0.066 0.000 2.605 90 S HA 0.661 5.131 4.470 0.000 0.000 0.308 90 S C -0.373 174.253 174.600 0.044 0.000 1.113 90 S CA -0.508 57.693 58.200 0.001 0.000 1.049 90 S CB 0.730 63.949 63.200 0.032 0.000 1.001 90 S HN 0.700 nan 8.310 nan 0.000 0.480 91 L N 4.298 125.561 121.223 0.067 0.000 3.218 91 L HA 0.395 4.735 4.340 0.000 0.000 0.279 91 L C 0.688 177.598 176.870 0.067 0.000 1.287 91 L CA -0.243 54.632 54.840 0.058 0.000 1.024 91 L CB 0.422 42.514 42.059 0.055 0.000 1.409 91 L HN 0.664 nan 8.230 nan 0.000 0.580 92 Q N 1.612 121.464 119.800 0.086 0.000 2.300 92 Q HA -0.075 4.265 4.340 0.000 0.000 0.280 92 Q C 0.484 176.514 176.000 0.050 0.000 1.033 92 Q CA 0.266 56.118 55.803 0.081 0.000 0.903 92 Q CB 0.339 29.135 28.738 0.096 0.000 1.195 92 Q HN 0.319 nan 8.270 nan 0.000 0.386 93 N N 2.650 121.374 118.700 0.041 0.000 2.696 93 N HA -0.201 4.539 4.740 0.000 0.000 0.256 93 N C -1.248 174.269 175.510 0.011 0.000 1.031 93 N CA 0.754 53.815 53.050 0.018 0.000 0.730 93 N CB -1.278 37.212 38.487 0.005 0.000 0.894 93 N HN 0.601 nan 8.380 nan 0.000 0.544 94 C N -0.030 119.278 119.300 0.014 0.000 3.125 94 C HA 0.361 4.821 4.460 0.000 0.000 0.284 94 C C 1.105 176.091 174.990 -0.007 0.000 1.386 94 C CA 0.133 59.154 59.018 0.004 0.000 1.763 94 C CB -1.706 26.042 27.740 0.013 0.000 2.377 94 C HN 0.852 nan 8.230 nan 0.000 0.620 95 C N 0.752 120.048 119.300 -0.006 0.000 4.497 95 C HA -0.182 4.278 4.460 0.000 0.000 0.292 95 C C 0.115 175.095 174.990 -0.017 0.000 1.366 95 C CA -0.106 58.904 59.018 -0.014 0.000 1.987 95 C CB -3.028 24.697 27.740 -0.025 0.000 1.241 95 C HN 0.695 nan 8.230 nan 0.000 0.788 96 L N 2.207 123.429 121.223 -0.002 0.000 2.305 96 L HA 0.679 5.019 4.340 0.000 0.000 0.281 96 L C 0.807 177.683 176.870 0.011 0.000 1.085 96 L CA 1.149 55.990 54.840 0.001 0.000 0.813 96 L CB 1.083 43.159 42.059 0.028 0.000 1.157 96 L HN 0.498 nan 8.230 nan 0.000 0.436 97 T N 0.859 115.417 114.554 0.006 0.000 2.919 97 T HA 0.530 4.880 4.350 0.000 0.000 0.282 97 T C 1.115 175.835 174.700 0.033 0.000 1.020 97 T CA -0.255 61.855 62.100 0.016 0.000 0.994 97 T CB 1.070 69.941 68.868 0.005 0.000 1.180 97 T HN 0.632 nan 8.240 nan 0.000 0.566 98 G N 0.064 108.882 108.800 0.031 0.000 2.440 98 G HA2 -0.034 3.927 3.960 0.000 0.000 0.218 98 G HA3 -0.034 3.927 3.960 0.000 0.000 0.218 98 G C 1.735 176.663 174.900 0.046 0.000 1.154 98 G CA 0.957 46.079 45.100 0.037 0.000 0.767 98 G HN 1.108 nan 8.290 nan 0.000 0.552 99 A N 0.983 123.829 122.820 0.044 0.000 1.883 99 A HA 0.096 4.416 4.320 0.000 0.000 0.217 99 A C 2.706 180.354 177.584 0.106 0.000 1.186 99 A CA 2.152 54.223 52.037 0.058 0.000 0.624 99 A CB -1.201 17.825 19.000 0.044 0.000 0.822 99 A HN 0.672 nan 8.150 nan 0.000 0.444 100 G N -1.615 107.251 108.800 0.111 0.000 2.586 100 G HA2 -0.143 3.817 3.960 0.000 0.000 0.215 100 G HA3 -0.143 3.817 3.960 0.000 0.000 0.215 100 G C 1.207 176.266 174.900 0.266 0.000 1.128 100 G CA 1.068 46.311 45.100 0.239 0.000 0.774 100 G HN 0.538 nan 8.290 nan 0.000 0.543 101 C N 0.503 119.881 119.300 0.130 0.000 2.472 101 C HA 0.183 4.643 4.460 0.000 0.000 0.278 101 C C 3.019 178.038 174.990 0.048 0.000 1.447 101 C CA 0.023 59.092 59.018 0.085 0.000 1.773 101 C CB -0.900 26.875 27.740 0.059 0.000 1.793 101 C HN 0.508 nan 8.230 nan 0.000 0.544 102 G N 0.800 109.624 108.800 0.040 0.000 2.433 102 G HA2 -0.174 3.786 3.960 0.000 0.000 0.216 102 G HA3 -0.174 3.786 3.960 0.000 0.000 0.216 102 G C 1.659 176.518 174.900 -0.068 0.000 1.186 102 G CA 1.383 46.478 45.100 -0.008 0.000 0.779 102 G HN 0.375 nan 8.290 nan 0.000 0.543 103 V N 0.856 120.661 119.914 -0.182 0.000 2.427 103 V HA -0.075 4.045 4.120 0.000 0.000 0.248 103 V C 2.691 178.710 176.094 -0.125 0.000 1.051 103 V CA 1.261 63.401 62.300 -0.267 0.000 1.048 103 V CB -0.396 31.013 31.823 -0.691 0.000 0.666 103 V HN 0.344 nan 8.190 nan 0.000 0.456 104 L N -0.151 121.041 121.223 -0.051 0.000 1.989 104 L HA -0.214 4.126 4.340 0.000 0.000 0.211 104 L C 2.700 179.571 176.870 0.001 0.000 1.071 104 L CA 2.341 57.184 54.840 0.006 0.000 0.749 104 L CB -0.463 41.626 42.059 0.049 0.000 0.890 104 L HN 0.478 nan 8.230 nan 0.000 0.431 105 S N -0.900 114.801 115.700 0.002 0.000 2.359 105 S HA -0.216 4.255 4.470 0.000 0.000 0.224 105 S C 2.102 176.699 174.600 -0.005 0.000 1.035 105 S CA 1.947 60.150 58.200 0.006 0.000 1.018 105 S CB -0.140 63.064 63.200 0.007 0.000 0.876 105 S HN 0.553 nan 8.310 nan 0.000 0.448 106 S N 0.472 116.159 115.700 -0.022 0.000 2.368 106 S HA -0.090 4.380 4.470 0.000 0.000 0.225 106 S C 1.997 176.586 174.600 -0.019 0.000 1.030 106 S CA 1.757 59.942 58.200 -0.024 0.000 0.999 106 S CB -0.840 62.335 63.200 -0.042 0.000 0.844 106 S HN 0.717 nan 8.310 nan 0.000 0.459 107 T N 2.942 117.482 114.554 -0.023 0.000 2.788 107 T HA 0.009 4.359 4.350 0.000 0.000 0.268 107 T C 1.691 176.389 174.700 -0.004 0.000 1.044 107 T CA 0.909 63.001 62.100 -0.014 0.000 1.139 107 T CB -0.426 68.435 68.868 -0.012 0.000 0.867 107 T HN 0.282 nan 8.240 nan 0.000 0.454 108 L N 0.468 121.693 121.223 0.003 0.000 2.191 108 L HA -0.080 4.260 4.340 0.000 0.000 0.212 108 L C 2.709 179.585 176.870 0.009 0.000 1.103 108 L CA 1.228 56.074 54.840 0.010 0.000 0.769 108 L CB -0.528 41.544 42.059 0.021 0.000 0.908 108 L HN 0.196 nan 8.230 nan 0.000 0.438 109 R N -0.388 120.116 120.500 0.005 0.000 2.237 109 R HA -0.083 4.258 4.340 0.000 0.000 0.219 109 R C 1.378 177.679 176.300 0.003 0.000 1.080 109 R CA 1.537 57.641 56.100 0.005 0.000 0.995 109 R CB -0.265 30.036 30.300 0.002 0.000 0.875 109 R HN 0.451 nan 8.270 nan 0.000 0.462 110 T N -3.055 111.499 114.554 0.000 0.000 3.252 110 T HA 0.319 4.669 4.350 0.000 0.000 0.286 110 T C 0.318 175.017 174.700 -0.002 0.000 1.013 110 T CA -0.334 61.765 62.100 -0.001 0.000 0.914 110 T CB 0.221 69.087 68.868 -0.003 0.000 1.131 110 T HN -0.029 nan 8.240 nan 0.000 0.529 111 L N 2.571 123.794 121.223 -0.001 0.000 2.637 111 L HA 0.364 4.704 4.340 0.000 0.000 0.241 111 L C -1.670 175.198 176.870 -0.004 0.000 1.398 111 L CA -2.094 52.744 54.840 -0.003 0.000 0.895 111 L CB 1.625 43.681 42.059 -0.005 0.000 1.183 111 L HN -0.034 nan 8.230 nan 0.000 0.497 112 P HA -0.151 nan 4.420 nan 0.000 0.225 112 P C 1.310 178.605 177.300 -0.009 0.000 1.148 112 P CA 1.182 64.280 63.100 -0.002 0.000 0.779 112 P CB -0.006 31.693 31.700 -0.001 0.000 0.780 113 T N -3.251 111.296 114.554 -0.012 0.000 3.085 113 T HA 0.021 4.371 4.350 0.000 0.000 0.263 113 T C 0.864 175.549 174.700 -0.026 0.000 1.127 113 T CA -0.239 61.850 62.100 -0.018 0.000 1.103 113 T CB -0.816 68.043 68.868 -0.016 0.000 0.921 113 T HN -0.076 nan 8.240 nan 0.000 0.510 114 L N 2.428 123.636 121.223 -0.025 0.000 2.456 114 L HA 0.253 4.593 4.340 0.000 0.000 0.277 114 L C 1.087 177.927 176.870 -0.050 0.000 1.124 114 L CA 0.295 55.114 54.840 -0.035 0.000 0.880 114 L CB 0.420 42.464 42.059 -0.026 0.000 1.192 114 L HN 0.187 nan 8.230 nan 0.000 0.463 115 Q N 2.918 122.677 119.800 -0.067 0.000 2.394 115 Q HA 0.231 4.571 4.340 0.000 0.000 0.218 115 Q C -0.367 175.563 176.000 -0.118 0.000 0.907 115 Q CA 0.417 56.165 55.803 -0.092 0.000 0.919 115 Q CB 0.684 29.373 28.738 -0.082 0.000 1.051 115 Q HN 0.669 nan 8.270 nan 0.000 0.538 116 E N 0.903 121.038 120.200 -0.109 0.000 2.234 116 E HA 0.498 4.848 4.350 0.000 0.000 0.266 116 E C -1.781 174.735 176.600 -0.140 0.000 0.877 116 E CA -0.621 55.704 56.400 -0.124 0.000 0.758 116 E CB 2.450 32.057 29.700 -0.155 0.000 1.170 116 E HN -0.107 nan 8.360 nan 0.000 0.415 117 L N 2.937 124.122 121.223 -0.062 0.000 2.441 117 L HA 0.340 4.680 4.340 0.000 0.000 0.270 117 L C -1.639 175.336 176.870 0.176 0.000 0.973 117 L CA -0.227 54.607 54.840 -0.009 0.000 0.842 117 L CB 1.222 43.300 42.059 0.032 0.000 1.239 117 L HN 0.608 nan 8.230 nan 0.000 0.406 118 H N 6.195 125.275 119.070 0.017 0.000 2.504 118 H HA 0.475 5.031 4.556 0.000 0.000 0.322 118 H C -0.003 175.346 175.328 0.035 0.000 1.055 118 H CA -0.678 55.385 56.048 0.026 0.000 1.231 118 H CB 1.655 31.430 29.762 0.022 0.000 1.417 118 H HN 0.579 nan 8.280 nan 0.000 0.472 119 L N 2.138 123.455 121.223 0.157 0.000 3.229 119 L HA 0.180 4.520 4.340 0.000 0.000 0.286 119 L C 0.253 177.177 176.870 0.091 0.000 1.239 119 L CA -0.050 54.855 54.840 0.108 0.000 1.035 119 L CB 0.744 42.858 42.059 0.091 0.000 1.408 119 L HN 0.442 nan 8.230 nan 0.000 0.593 120 S N 0.466 116.218 115.700 0.087 0.000 2.569 120 S HA -0.004 4.466 4.470 0.000 0.000 0.274 120 S C 0.454 175.116 174.600 0.104 0.000 1.353 120 S CA 0.005 58.262 58.200 0.095 0.000 1.023 120 S CB 0.338 63.587 63.200 0.082 0.000 0.876 120 S HN 0.407 nan 8.310 nan 0.000 0.540 121 D N 0.715 121.201 120.400 0.143 0.000 2.870 121 D HA -0.142 4.498 4.640 0.000 0.000 0.228 121 D C -0.744 175.589 176.300 0.056 0.000 1.147 121 D CA 0.805 54.859 54.000 0.090 0.000 0.757 121 D CB -1.373 39.444 40.800 0.027 0.000 1.091 121 D HN 0.440 nan 8.370 nan 0.000 0.429 122 N N 0.571 119.312 118.700 0.069 0.000 2.296 122 N HA 0.317 5.057 4.740 0.000 0.000 0.294 122 N C -0.075 175.467 175.510 0.053 0.000 1.033 122 N CA -0.527 52.552 53.050 0.049 0.000 0.839 122 N CB 1.868 40.384 38.487 0.049 0.000 1.395 122 N HN 0.097 nan 8.380 nan 0.000 0.479 123 L N 4.135 125.381 121.223 0.039 0.000 2.415 123 L HA 0.170 4.510 4.340 0.000 0.000 0.269 123 L C 1.087 177.978 176.870 0.035 0.000 1.244 123 L CA -0.068 54.796 54.840 0.039 0.000 1.113 123 L CB -0.259 41.817 42.059 0.028 0.000 1.352 123 L HN 0.516 nan 8.230 nan 0.000 0.433 124 L N 3.262 124.509 121.223 0.041 0.000 2.095 124 L HA 0.225 4.565 4.340 0.000 0.000 0.204 124 L C 1.363 178.252 176.870 0.031 0.000 1.080 124 L CA 0.658 55.520 54.840 0.038 0.000 0.759 124 L CB -0.863 41.221 42.059 0.042 0.000 0.914 124 L HN 0.771 nan 8.230 nan 0.000 0.439 125 G N 0.350 109.168 108.800 0.030 0.000 2.860 125 G HA2 -0.245 3.716 3.960 0.000 0.000 0.553 125 G HA3 -0.245 3.716 3.960 0.000 0.000 0.553 125 G C -0.071 174.841 174.900 0.019 0.000 1.439 125 G CA -0.103 45.011 45.100 0.023 0.000 0.879 125 G HN 0.179 nan 8.290 nan 0.000 0.545 126 D N 0.129 120.537 120.400 0.014 0.000 2.144 126 D HA -0.019 4.621 4.640 0.000 0.000 0.199 126 D C 2.737 179.043 176.300 0.011 0.000 0.984 126 D CA 1.987 55.993 54.000 0.010 0.000 0.834 126 D CB -0.428 40.376 40.800 0.005 0.000 0.955 126 D HN 0.846 nan 8.370 nan 0.000 0.465 127 A N 0.884 123.711 122.820 0.013 0.000 1.930 127 A HA 0.004 4.325 4.320 0.000 0.000 0.217 127 A C 2.381 179.976 177.584 0.018 0.000 1.175 127 A CA 1.919 53.965 52.037 0.014 0.000 0.627 127 A CB -0.945 18.064 19.000 0.014 0.000 0.815 127 A HN 0.297 nan 8.150 nan 0.000 0.443 128 G N -0.315 108.499 108.800 0.023 0.000 2.402 128 G HA2 -0.150 3.810 3.960 0.000 0.000 0.216 128 G HA3 -0.150 3.810 3.960 0.000 0.000 0.216 128 G C 1.501 176.419 174.900 0.029 0.000 1.162 128 G CA 0.905 46.023 45.100 0.030 0.000 0.777 128 G HN 0.398 nan 8.290 nan 0.000 0.539 129 L N 0.562 121.800 121.223 0.025 0.000 2.046 129 L HA -0.107 4.234 4.340 0.000 0.000 0.208 129 L C 2.717 179.597 176.870 0.016 0.000 1.077 129 L CA 2.730 57.584 54.840 0.022 0.000 0.747 129 L CB -0.815 41.253 42.059 0.016 0.000 0.896 129 L HN 0.341 nan 8.230 nan 0.000 0.432 130 Q N 0.329 120.136 119.800 0.011 0.000 2.030 130 Q HA -0.214 4.127 4.340 0.000 0.000 0.204 130 Q C 2.264 178.269 176.000 0.010 0.000 0.986 130 Q CA 2.139 57.946 55.803 0.006 0.000 0.843 130 Q CB -0.644 28.097 28.738 0.005 0.000 0.904 130 Q HN 0.595 nan 8.270 nan 0.000 0.420 131 L N -0.313 120.919 121.223 0.014 0.000 2.042 131 L HA -0.197 4.143 4.340 0.000 0.000 0.210 131 L C 2.375 179.256 176.870 0.018 0.000 1.076 131 L CA 1.074 55.923 54.840 0.015 0.000 0.749 131 L CB -0.623 41.448 42.059 0.020 0.000 0.893 131 L HN 0.342 nan 8.230 nan 0.000 0.432 132 L N -0.234 121.003 121.223 0.025 0.000 2.012 132 L HA -0.282 4.058 4.340 0.000 0.000 0.210 132 L C 2.731 179.618 176.870 0.028 0.000 1.073 132 L CA 1.944 56.803 54.840 0.031 0.000 0.748 132 L CB -0.765 41.318 42.059 0.041 0.000 0.891 132 L HN 0.405 nan 8.230 nan 0.000 0.431 133 C N -0.007 119.304 119.300 0.020 0.000 2.403 133 C HA -0.198 4.262 4.460 0.000 0.000 0.277 133 C C 2.596 177.591 174.990 0.009 0.000 1.248 133 C CA 1.452 60.476 59.018 0.010 0.000 1.762 133 C CB -1.026 26.711 27.740 -0.004 0.000 2.014 133 C HN 0.687 nan 8.230 nan 0.000 0.486 134 E N -0.028 120.177 120.200 0.008 0.000 2.118 134 E HA -0.095 4.255 4.350 0.000 0.000 0.195 134 E C 2.365 178.972 176.600 0.010 0.000 0.992 134 E CA 1.476 57.880 56.400 0.006 0.000 0.804 134 E CB -0.425 29.278 29.700 0.004 0.000 0.741 134 E HN 0.819 nan 8.360 nan 0.000 0.458 135 G N 0.740 109.549 108.800 0.015 0.000 2.394 135 G HA2 -0.189 3.771 3.960 0.000 0.000 0.215 135 G HA3 -0.189 3.771 3.960 0.000 0.000 0.215 135 G C 1.532 176.449 174.900 0.029 0.000 1.165 135 G CA 0.204 45.316 45.100 0.018 0.000 0.784 135 G HN 0.088 nan 8.290 nan 0.000 0.535 136 L N 0.026 121.273 121.223 0.040 0.000 2.131 136 L HA 0.022 4.362 4.340 0.000 0.000 0.210 136 L C 2.644 179.544 176.870 0.051 0.000 1.092 136 L CA 0.489 55.367 54.840 0.064 0.000 0.759 136 L CB -0.273 41.834 42.059 0.080 0.000 0.903 136 L HN 0.179 nan 8.230 nan 0.000 0.435 137 L N -0.970 120.268 121.223 0.025 0.000 2.478 137 L HA -0.048 4.292 4.340 0.000 0.000 0.223 137 L C 1.027 177.907 176.870 0.017 0.000 1.140 137 L CA 0.018 54.867 54.840 0.014 0.000 0.842 137 L CB -0.364 41.696 42.059 0.001 0.000 0.953 137 L HN 0.242 nan 8.230 nan 0.000 0.452 138 D N 0.753 121.165 120.400 0.020 0.000 2.458 138 D HA -0.015 4.625 4.640 0.000 0.000 0.243 138 D C -1.615 174.697 176.300 0.020 0.000 1.146 138 D CA -1.299 52.711 54.000 0.016 0.000 0.877 138 D CB 1.795 42.604 40.800 0.014 0.000 1.176 138 D HN -0.090 nan 8.370 nan 0.000 0.461 139 P HA -0.156 nan 4.420 nan 0.000 0.217 139 P C 1.058 178.368 177.300 0.017 0.000 1.148 139 P CA 1.124 64.233 63.100 0.016 0.000 0.828 139 P CB 0.186 31.892 31.700 0.011 0.000 0.783 140 Q N -1.628 118.181 119.800 0.014 0.000 2.435 140 Q HA -0.030 4.310 4.340 0.000 0.000 0.207 140 Q C 0.242 176.252 176.000 0.016 0.000 0.956 140 Q CA 0.073 55.883 55.803 0.012 0.000 0.917 140 Q CB -0.160 28.582 28.738 0.008 0.000 0.997 140 Q HN 0.174 nan 8.270 nan 0.000 0.497 141 C N 1.816 121.130 119.300 0.024 0.000 2.499 141 C HA 0.327 4.787 4.460 0.000 0.000 0.386 141 C C 0.398 175.413 174.990 0.041 0.000 1.293 141 C CA -0.541 58.496 59.018 0.032 0.000 1.884 141 C CB -0.157 27.610 27.740 0.045 0.000 2.509 141 C HN 0.352 nan 8.230 nan 0.000 0.566 142 R N 4.507 125.024 120.500 0.027 0.000 2.700 142 R HA 0.209 4.549 4.340 0.000 0.000 0.399 142 R C -0.349 175.945 176.300 -0.009 0.000 1.115 142 R CA -0.578 55.536 56.100 0.022 0.000 1.058 142 R CB -0.389 29.914 30.300 0.006 0.000 1.389 142 R HN 0.719 nan 8.270 nan 0.000 0.582 143 L N 1.623 122.845 121.223 -0.002 0.000 2.543 143 L HA -0.077 4.263 4.340 0.000 0.000 0.285 143 L C 1.076 177.764 176.870 -0.303 0.000 1.236 143 L CA 1.294 56.078 54.840 -0.094 0.000 0.871 143 L CB 0.597 42.644 42.059 -0.018 0.000 1.121 143 L HN 0.277 nan 8.230 nan 0.000 0.501 144 E N 2.530 122.484 120.200 -0.409 0.000 2.391 144 E HA 0.156 4.506 4.350 0.000 0.000 0.206 144 E C -0.390 175.763 176.600 -0.746 0.000 0.851 144 E CA 0.059 56.116 56.400 -0.572 0.000 1.059 144 E CB 0.571 30.111 29.700 -0.266 0.000 1.065 144 E HN 0.497 nan 8.360 nan 0.000 0.512 145 K N 1.287 121.409 120.400 -0.463 0.000 2.397 145 K HA 0.489 4.809 4.320 0.000 0.000 0.253 145 K C -1.535 175.000 176.600 -0.109 0.000 0.932 145 K CA -0.762 55.366 56.287 -0.264 0.000 0.795 145 K CB 2.681 35.126 32.500 -0.091 0.000 1.159 145 K HN -0.136 nan 8.250 nan 0.000 0.424 146 L N 2.371 123.605 121.223 0.018 0.000 2.406 146 L HA 0.310 4.650 4.340 0.000 0.000 0.272 146 L C -1.465 175.481 176.870 0.126 0.000 0.980 146 L CA -0.117 54.807 54.840 0.140 0.000 0.831 146 L CB 1.919 44.141 42.059 0.272 0.000 1.253 146 L HN 0.569 nan 8.230 nan 0.000 0.406 147 Q N 6.136 126.004 119.800 0.113 0.000 2.333 147 Q HA 0.549 4.889 4.340 0.000 0.000 0.268 147 Q C -0.810 175.215 176.000 0.041 0.000 1.007 147 Q CA -0.393 55.420 55.803 0.016 0.000 0.810 147 Q CB 2.339 30.975 28.738 -0.171 0.000 1.264 147 Q HN 0.683 nan 8.270 nan 0.000 0.452 148 L N 2.080 123.320 121.223 0.030 0.000 3.193 148 L HA 0.292 4.633 4.340 0.000 0.000 0.305 148 L C -0.172 176.708 176.870 0.016 0.000 1.299 148 L CA -0.086 54.776 54.840 0.037 0.000 0.904 148 L CB 0.651 42.734 42.059 0.041 0.000 1.331 148 L HN 0.513 nan 8.230 nan 0.000 0.588 149 E N 0.112 120.318 120.200 0.009 0.000 2.373 149 E HA 0.094 4.444 4.350 0.000 0.000 0.267 149 E C -0.597 176.058 176.600 0.091 0.000 1.032 149 E CA -0.403 55.976 56.400 -0.036 0.000 0.889 149 E CB 0.396 30.083 29.700 -0.021 0.000 0.984 149 E HN 0.136 nan 8.360 nan 0.000 0.425 150 Y N -0.240 120.070 120.300 0.017 0.000 3.078 150 Y HA -0.256 4.294 4.550 0.000 0.000 0.202 150 Y C 0.448 176.357 175.900 0.015 0.000 1.322 150 Y CA -0.108 58.002 58.100 0.017 0.000 1.118 150 Y CB -2.076 36.395 38.460 0.017 0.000 1.343 150 Y HN 0.531 nan 8.280 nan 0.000 0.499 151 C N -1.018 118.349 119.300 0.111 0.000 3.000 151 C HA 0.327 4.787 4.460 0.000 0.000 0.286 151 C C 1.330 176.357 174.990 0.061 0.000 1.343 151 C CA 0.405 59.473 59.018 0.082 0.000 1.742 151 C CB -0.876 26.900 27.740 0.059 0.000 2.200 151 C HN 0.769 nan 8.230 nan 0.000 0.621 152 S N 1.034 116.773 115.700 0.064 0.000 3.682 152 S HA -0.161 4.309 4.470 0.000 0.000 0.354 152 S C -0.057 174.559 174.600 0.027 0.000 1.034 152 S CA 0.428 58.655 58.200 0.046 0.000 1.084 152 S CB -1.588 61.639 63.200 0.045 0.000 0.903 152 S HN 0.675 nan 8.310 nan 0.000 0.470 153 L N 1.272 122.505 121.223 0.017 0.000 2.357 153 L HA 0.642 4.982 4.340 0.000 0.000 0.273 153 L C 0.907 177.776 176.870 -0.001 0.000 1.080 153 L CA -0.355 54.489 54.840 0.007 0.000 0.803 153 L CB 1.424 43.484 42.059 0.002 0.000 1.174 153 L HN 0.431 nan 8.230 nan 0.000 0.443 154 S N 0.984 116.682 115.700 -0.003 0.000 2.801 154 S HA 0.584 5.054 4.470 0.000 0.000 0.312 154 S C 0.870 175.463 174.600 -0.012 0.000 1.112 154 S CA -0.079 58.117 58.200 -0.007 0.000 0.943 154 S CB 1.407 64.605 63.200 -0.004 0.000 1.269 154 S HN 0.625 nan 8.310 nan 0.000 0.558 155 A N 0.223 123.035 122.820 -0.013 0.000 2.070 155 A HA 0.232 4.552 4.320 0.000 0.000 0.220 155 A C 2.205 179.780 177.584 -0.015 0.000 1.159 155 A CA 1.680 53.707 52.037 -0.017 0.000 0.656 155 A CB -1.625 17.365 19.000 -0.016 0.000 0.800 155 A HN 1.341 nan 8.150 nan 0.000 0.453 156 A N -0.860 121.953 122.820 -0.012 0.000 2.121 156 A HA 0.017 4.337 4.320 0.000 0.000 0.218 156 A C 2.208 179.785 177.584 -0.012 0.000 1.154 156 A CA 1.664 53.694 52.037 -0.011 0.000 0.679 156 A CB -0.475 18.521 19.000 -0.007 0.000 0.795 156 A HN 0.402 nan 8.150 nan 0.000 0.458 157 S N -1.498 114.195 115.700 -0.012 0.000 2.527 157 S HA -0.064 4.406 4.470 0.000 0.000 0.222 157 S C 1.588 176.175 174.600 -0.022 0.000 0.985 157 S CA 0.642 58.834 58.200 -0.013 0.000 0.921 157 S CB -0.464 62.731 63.200 -0.008 0.000 0.772 157 S HN 0.742 nan 8.310 nan 0.000 0.529 158 C N 1.327 120.612 119.300 -0.025 0.000 2.450 158 C HA 0.029 4.489 4.460 0.000 0.000 0.279 158 C C 2.692 177.659 174.990 -0.038 0.000 1.335 158 C CA 0.509 59.508 59.018 -0.033 0.000 1.749 158 C CB -0.875 26.847 27.740 -0.031 0.000 1.963 158 C HN 0.571 nan 8.230 nan 0.000 0.501 159 E N 1.735 121.917 120.200 -0.031 0.000 2.047 159 E HA -0.092 4.259 4.350 0.000 0.000 0.191 159 E C -0.500 176.076 176.600 -0.039 0.000 0.987 159 E CA 1.771 58.151 56.400 -0.033 0.000 0.799 159 E CB -1.259 28.426 29.700 -0.025 0.000 0.752 159 E HN 0.350 nan 8.360 nan 0.000 0.449 160 P HA -0.127 nan 4.420 nan 0.000 0.215 160 P C 1.433 178.700 177.300 -0.056 0.000 1.157 160 P CA 1.205 64.284 63.100 -0.036 0.000 0.868 160 P CB -0.073 31.613 31.700 -0.023 0.000 0.788 161 L N -1.051 120.136 121.223 -0.061 0.000 2.046 161 L HA -0.196 4.145 4.340 0.000 0.000 0.208 161 L C 2.460 179.253 176.870 -0.129 0.000 1.077 161 L CA 1.632 56.415 54.840 -0.094 0.000 0.747 161 L CB -1.124 40.889 42.059 -0.075 0.000 0.896 161 L HN -0.038 nan 8.230 nan 0.000 0.432 162 A N -0.015 122.749 122.820 -0.095 0.000 1.933 162 A HA -0.226 4.094 4.320 0.000 0.000 0.218 162 A C 2.506 180.031 177.584 -0.098 0.000 1.175 162 A CA 1.990 53.970 52.037 -0.094 0.000 0.628 162 A CB -0.650 18.312 19.000 -0.065 0.000 0.814 162 A HN 0.550 nan 8.150 nan 0.000 0.444 163 S N -0.576 115.075 115.700 -0.082 0.000 2.402 163 S HA -0.089 4.381 4.470 0.000 0.000 0.229 163 S C 1.723 176.268 174.600 -0.093 0.000 1.021 163 S CA 1.291 59.448 58.200 -0.070 0.000 0.974 163 S CB -0.759 62.411 63.200 -0.049 0.000 0.800 163 S HN 0.227 nan 8.310 nan 0.000 0.484 164 V N 2.151 121.986 119.914 -0.132 0.000 2.358 164 V HA -0.077 4.043 4.120 0.000 0.000 0.246 164 V C 2.565 178.504 176.094 -0.259 0.000 1.047 164 V CA 1.689 63.882 62.300 -0.179 0.000 1.035 164 V CB -0.803 30.881 31.823 -0.231 0.000 0.658 164 V HN 0.466 nan 8.190 nan 0.000 0.452 165 L N -0.565 120.471 121.223 -0.312 0.000 2.046 165 L HA -0.184 4.156 4.340 0.000 0.000 0.208 165 L C 2.743 179.530 176.870 -0.139 0.000 1.077 165 L CA 1.659 56.323 54.840 -0.293 0.000 0.747 165 L CB -0.624 41.293 42.059 -0.237 0.000 0.896 165 L HN 0.226 nan 8.230 nan 0.000 0.432 166 R N -0.248 120.190 120.500 -0.103 0.000 2.152 166 R HA -0.088 4.252 4.340 0.000 0.000 0.232 166 R C 2.002 178.278 176.300 -0.041 0.000 1.117 166 R CA 1.208 57.273 56.100 -0.059 0.000 0.981 166 R CB -0.217 30.053 30.300 -0.050 0.000 0.870 166 R HN 0.355 nan 8.270 nan 0.000 0.451 167 A N 0.210 123.003 122.820 -0.046 0.000 2.252 167 A HA 0.103 4.423 4.320 0.000 0.000 0.213 167 A C 0.163 177.750 177.584 0.006 0.000 1.188 167 A CA 0.120 52.145 52.037 -0.019 0.000 0.863 167 A CB 0.533 19.522 19.000 -0.019 0.000 0.893 167 A HN -0.100 nan 8.150 nan 0.000 0.495 168 K N 1.046 121.452 120.400 0.010 0.000 2.414 168 K HA 0.275 4.595 4.320 0.000 0.000 0.251 168 K C -2.409 174.262 176.600 0.118 0.000 1.037 168 K CA -2.019 54.322 56.287 0.090 0.000 0.980 168 K CB 1.838 34.452 32.500 0.190 0.000 1.280 168 K HN 0.121 nan 8.250 nan 0.000 0.451 169 P HA -0.088 nan 4.420 nan 0.000 0.226 169 P C -0.000 177.353 177.300 0.089 0.000 1.153 169 P CA 0.856 64.000 63.100 0.073 0.000 0.777 169 P CB 0.499 32.225 31.700 0.043 0.000 0.794 170 D N -1.009 119.453 120.400 0.102 0.000 2.355 170 D HA 0.017 4.657 4.640 0.000 0.000 0.218 170 D C 0.515 176.848 176.300 0.056 0.000 1.004 170 D CA 0.069 54.105 54.000 0.061 0.000 0.880 170 D CB -0.342 40.473 40.800 0.025 0.000 0.911 170 D HN 0.143 nan 8.370 nan 0.000 0.528 171 F N 1.570 121.520 119.950 -0.000 0.000 2.607 171 F HA -0.035 4.492 4.527 0.000 0.000 0.374 171 F C 1.767 177.567 175.800 -0.000 0.000 1.104 171 F CA 0.854 58.854 58.000 0.001 0.000 1.296 171 F CB 0.821 39.821 39.000 -0.000 0.000 1.085 171 F HN -0.296 nan 8.300 nan 0.000 0.584 172 K N 1.426 121.765 120.400 -0.101 0.000 2.504 172 K HA 0.112 4.433 4.320 0.000 0.000 0.203 172 K C -0.287 176.318 176.600 0.008 0.000 1.350 172 K CA -0.039 56.232 56.287 -0.027 0.000 0.953 172 K CB 0.853 33.307 32.500 -0.076 0.000 1.243 172 K HN 0.553 nan 8.250 nan 0.000 0.534 173 E N 1.388 121.569 120.200 -0.031 0.000 2.278 173 E HA 0.309 4.659 4.350 0.000 0.000 0.272 173 E C -1.994 174.690 176.600 0.141 0.000 0.890 173 E CA -0.676 55.747 56.400 0.038 0.000 0.770 173 E CB 1.659 31.352 29.700 -0.011 0.000 1.212 173 E HN -0.083 nan 8.360 nan 0.000 0.415 174 L N 3.525 124.848 121.223 0.167 0.000 2.376 174 L HA 0.554 4.894 4.340 0.000 0.000 0.275 174 L C -1.444 175.473 176.870 0.079 0.000 0.987 174 L CA -0.026 54.926 54.840 0.187 0.000 0.828 174 L CB 2.188 44.353 42.059 0.177 0.000 1.249 174 L HN 0.495 nan 8.230 nan 0.000 0.409 175 T N 4.713 119.301 114.554 0.057 0.000 2.847 175 T HA 0.490 4.840 4.350 0.000 0.000 0.291 175 T C 0.119 174.818 174.700 -0.000 0.000 0.998 175 T CA -0.294 61.812 62.100 0.009 0.000 0.967 175 T CB 1.303 70.158 68.868 -0.022 0.000 0.954 175 T HN 0.359 nan 8.240 nan 0.000 0.441 176 V N 1.498 121.401 119.914 -0.019 0.000 3.166 176 V HA 0.186 4.306 4.120 0.000 0.000 0.332 176 V C 0.931 176.981 176.094 -0.073 0.000 1.434 176 V CA -0.542 61.738 62.300 -0.034 0.000 1.121 176 V CB 0.035 31.843 31.823 -0.025 0.000 1.062 176 V HN 0.795 nan 8.190 nan 0.000 0.489 177 S N 2.176 117.824 115.700 -0.087 0.000 2.559 177 S HA 0.107 4.578 4.470 0.000 0.000 0.282 177 S C 0.983 175.427 174.600 -0.260 0.000 1.336 177 S CA 0.215 58.336 58.200 -0.132 0.000 1.037 177 S CB -0.072 63.072 63.200 -0.093 0.000 0.853 177 S HN 0.747 nan 8.310 nan 0.000 0.523 178 N N 1.698 120.218 118.700 -0.300 0.000 2.758 178 N HA -0.168 4.573 4.740 0.000 0.000 0.248 178 N C -1.289 174.045 175.510 -0.293 0.000 1.076 178 N CA 0.501 53.271 53.050 -0.465 0.000 0.696 178 N CB -1.243 36.453 38.487 -1.319 0.000 0.979 178 N HN 0.574 nan 8.380 nan 0.000 0.550 179 N N 0.594 119.204 118.700 -0.151 0.000 2.260 179 N HA 0.139 4.879 4.740 0.000 0.000 0.293 179 N C -1.087 174.391 175.510 -0.054 0.000 1.058 179 N CA -0.497 52.509 53.050 -0.074 0.000 0.824 179 N CB 1.276 39.729 38.487 -0.057 0.000 1.551 179 N HN -0.037 nan 8.380 nan 0.000 0.475 180 D N 2.328 122.711 120.400 -0.029 0.000 2.671 180 D HA 0.105 4.745 4.640 0.000 0.000 0.228 180 D C 1.722 178.007 176.300 -0.024 0.000 1.102 180 D CA -0.036 53.950 54.000 -0.025 0.000 1.044 180 D CB 0.125 40.918 40.800 -0.011 0.000 1.113 180 D HN 0.576 nan 8.370 nan 0.000 0.480 181 I N -2.583 117.968 120.570 -0.032 0.000 2.716 181 I HA -0.077 4.093 4.170 0.000 0.000 0.259 181 I C 0.315 176.415 176.117 -0.028 0.000 1.172 181 I CA -0.151 61.132 61.300 -0.028 0.000 1.478 181 I CB -0.134 37.846 38.000 -0.032 0.000 1.104 181 I HN -0.098 nan 8.210 nan 0.000 0.439 182 N N 1.850 120.531 118.700 -0.033 0.000 6.746 182 N HA -0.314 4.426 4.740 0.000 0.000 0.415 182 N C 0.872 176.363 175.510 -0.031 0.000 0.941 182 N CA 1.303 54.334 53.050 -0.032 0.000 1.510 182 N CB -0.396 38.076 38.487 -0.025 0.000 0.796 182 N HN 0.549 nan 8.380 nan 0.000 0.371 183 E N 0.263 120.445 120.200 -0.030 0.000 2.070 183 E HA -0.216 4.134 4.350 0.000 0.000 0.197 183 E C 1.735 178.320 176.600 -0.025 0.000 1.004 183 E CA 1.973 58.356 56.400 -0.028 0.000 0.805 183 E CB -0.225 29.459 29.700 -0.026 0.000 0.744 183 E HN 0.577 nan 8.360 nan 0.000 0.451 184 A N 0.601 123.407 122.820 -0.023 0.000 1.877 184 A HA -0.083 4.237 4.320 0.000 0.000 0.216 184 A C 2.446 180.016 177.584 -0.023 0.000 1.186 184 A CA 1.765 53.790 52.037 -0.021 0.000 0.620 184 A CB -1.229 17.761 19.000 -0.018 0.000 0.822 184 A HN 0.465 nan 8.150 nan 0.000 0.443 185 G N -0.555 108.230 108.800 -0.024 0.000 2.421 185 G HA2 -0.120 3.840 3.960 0.000 0.000 0.216 185 G HA3 -0.120 3.840 3.960 0.000 0.000 0.216 185 G C 1.514 176.396 174.900 -0.029 0.000 1.171 185 G CA 1.250 46.334 45.100 -0.026 0.000 0.775 185 G HN 0.315 nan 8.290 nan 0.000 0.543 186 V N 0.780 120.676 119.914 -0.031 0.000 2.332 186 V HA -0.192 3.928 4.120 0.000 0.000 0.248 186 V C 2.786 178.862 176.094 -0.030 0.000 1.055 186 V CA 2.206 64.487 62.300 -0.032 0.000 1.038 186 V CB -0.489 31.313 31.823 -0.035 0.000 0.651 186 V HN 0.435 nan 8.190 nan 0.000 0.450 187 R N -0.107 120.376 120.500 -0.027 0.000 2.073 187 R HA -0.146 4.194 4.340 0.000 0.000 0.234 187 R C 2.223 178.507 176.300 -0.026 0.000 1.134 187 R CA 1.839 57.924 56.100 -0.025 0.000 0.952 187 R CB -0.357 29.930 30.300 -0.022 0.000 0.850 187 R HN 0.384 nan 8.270 nan 0.000 0.433 188 V N 1.232 121.130 119.914 -0.027 0.000 2.343 188 V HA -0.242 3.878 4.120 0.000 0.000 0.247 188 V C 2.292 178.365 176.094 -0.035 0.000 1.051 188 V CA 1.366 63.648 62.300 -0.030 0.000 1.036 188 V CB -0.452 31.354 31.823 -0.029 0.000 0.654 188 V HN 0.282 nan 8.190 nan 0.000 0.451 189 L N -0.539 120.662 121.223 -0.037 0.000 2.017 189 L HA -0.165 4.175 4.340 0.000 0.000 0.208 189 L C 2.501 179.347 176.870 -0.040 0.000 1.073 189 L CA 1.992 56.806 54.840 -0.042 0.000 0.745 189 L CB -0.992 41.043 42.059 -0.039 0.000 0.894 189 L HN 0.377 nan 8.230 nan 0.000 0.432 190 C N -1.543 117.737 119.300 -0.032 0.000 2.429 190 C HA -0.169 4.291 4.460 0.000 0.000 0.277 190 C C 2.819 177.792 174.990 -0.029 0.000 1.262 190 C CA 0.794 59.795 59.018 -0.028 0.000 1.733 190 C CB -0.680 27.045 27.740 -0.025 0.000 2.010 190 C HN 0.580 nan 8.230 nan 0.000 0.483 191 Q N 1.251 121.034 119.800 -0.029 0.000 2.124 191 Q HA -0.025 4.316 4.340 0.000 0.000 0.202 191 Q C 2.191 178.171 176.000 -0.033 0.000 0.977 191 Q CA 2.172 57.959 55.803 -0.028 0.000 0.850 191 Q CB -0.772 27.950 28.738 -0.026 0.000 0.901 191 Q HN 0.597 nan 8.270 nan 0.000 0.429 192 G N 0.344 109.120 108.800 -0.041 0.000 2.418 192 G HA2 -0.216 3.744 3.960 0.000 0.000 0.217 192 G HA3 -0.216 3.744 3.960 0.000 0.000 0.217 192 G C 1.357 176.226 174.900 -0.052 0.000 1.158 192 G CA 0.860 45.928 45.100 -0.052 0.000 0.771 192 G HN 0.385 nan 8.290 nan 0.000 0.545 193 L N -0.143 121.053 121.223 -0.045 0.000 2.056 193 L HA -0.044 4.296 4.340 0.000 0.000 0.207 193 L C 2.999 179.852 176.870 -0.027 0.000 1.078 193 L CA 1.276 56.095 54.840 -0.035 0.000 0.749 193 L CB -0.307 41.737 42.059 -0.025 0.000 0.901 193 L HN 0.226 nan 8.230 nan 0.000 0.433 194 K N -0.182 120.202 120.400 -0.027 0.000 2.097 194 K HA -0.152 4.168 4.320 0.000 0.000 0.206 194 K C 0.956 177.543 176.600 -0.023 0.000 1.049 194 K CA 1.231 57.504 56.287 -0.024 0.000 0.933 194 K CB -0.098 32.388 32.500 -0.023 0.000 0.717 194 K HN 0.292 nan 8.250 nan 0.000 0.442 195 D N 0.531 120.916 120.400 -0.026 0.000 2.336 195 D HA 0.003 4.643 4.640 0.000 0.000 0.228 195 D C 0.037 176.322 176.300 -0.025 0.000 1.120 195 D CA 0.296 54.281 54.000 -0.024 0.000 0.839 195 D CB 0.427 41.212 40.800 -0.025 0.000 0.932 195 D HN -0.037 nan 8.370 nan 0.000 0.509 196 S N 1.361 117.046 115.700 -0.025 0.000 2.565 196 S HA 0.341 4.811 4.470 0.000 0.000 0.290 196 S C -1.740 172.856 174.600 -0.007 0.000 1.150 196 S CA -1.398 56.789 58.200 -0.022 0.000 1.058 196 S CB 1.847 65.028 63.200 -0.032 0.000 1.032 196 S HN -0.132 nan 8.310 nan 0.000 0.510 197 P HA 0.155 nan 4.420 nan 0.000 0.245 197 P C 0.794 178.108 177.300 0.023 0.000 1.206 197 P CA -0.087 63.019 63.100 0.010 0.000 0.781 197 P CB -0.788 30.918 31.700 0.011 0.000 0.994 198 C N 0.373 119.695 119.300 0.036 0.000 2.689 198 C HA 0.289 4.749 4.460 0.000 0.000 0.409 198 C C 0.709 175.728 174.990 0.049 0.000 1.293 198 C CA -0.502 58.555 59.018 0.065 0.000 2.136 198 C CB -0.033 27.781 27.740 0.124 0.000 2.719 198 C HN 0.184 nan 8.230 nan 0.000 0.644 199 Q N 2.053 121.883 119.800 0.050 0.000 2.916 199 Q HA 0.283 4.623 4.340 0.000 0.000 0.314 199 Q C -0.357 175.668 176.000 0.041 0.000 1.194 199 Q CA -0.339 55.484 55.803 0.033 0.000 1.079 199 Q CB 0.787 29.538 28.738 0.022 0.000 1.322 199 Q HN 0.820 nan 8.270 nan 0.000 0.500 200 L N 1.451 122.706 121.223 0.053 0.000 2.559 200 L HA -0.116 4.225 4.340 0.000 0.000 0.282 200 L C 1.068 177.959 176.870 0.034 0.000 1.232 200 L CA 1.320 56.198 54.840 0.063 0.000 0.885 200 L CB 0.511 42.611 42.059 0.068 0.000 1.131 200 L HN 0.403 nan 8.230 nan 0.000 0.498 201 E N 2.981 123.197 120.200 0.028 0.000 2.399 201 E HA 0.353 4.703 4.350 0.000 0.000 0.205 201 E C -0.381 176.224 176.600 0.007 0.000 0.906 201 E CA 0.372 56.778 56.400 0.011 0.000 0.998 201 E CB 0.552 30.252 29.700 -0.000 0.000 1.002 201 E HN 0.672 nan 8.360 nan 0.000 0.501 202 A N 1.344 124.173 122.820 0.014 0.000 2.427 202 A HA 0.608 4.928 4.320 0.000 0.000 0.298 202 A C -1.751 175.847 177.584 0.024 0.000 1.036 202 A CA -0.572 51.469 52.037 0.007 0.000 0.701 202 A CB 1.295 20.288 19.000 -0.013 0.000 1.250 202 A HN 0.081 nan 8.150 nan 0.000 0.412 203 L N 1.944 123.177 121.223 0.017 0.000 2.404 203 L HA 0.610 4.950 4.340 0.000 0.000 0.272 203 L C -0.895 175.981 176.870 0.011 0.000 0.980 203 L CA -0.108 54.744 54.840 0.020 0.000 0.836 203 L CB 1.461 43.530 42.059 0.017 0.000 1.238 203 L HN 0.624 nan 8.230 nan 0.000 0.408 204 K N 6.929 127.333 120.400 0.006 0.000 2.450 204 K HA 0.551 4.871 4.320 0.000 0.000 0.257 204 K C -0.995 175.598 176.600 -0.011 0.000 0.953 204 K CA -0.449 55.840 56.287 0.002 0.000 0.844 204 K CB 1.806 34.302 32.500 -0.006 0.000 1.103 204 K HN 0.585 nan 8.250 nan 0.000 0.429 205 L N 3.078 124.290 121.223 -0.019 0.000 2.913 205 L HA 0.226 4.566 4.340 0.000 0.000 0.283 205 L C -0.269 176.560 176.870 -0.069 0.000 1.336 205 L CA -0.321 54.492 54.840 -0.044 0.000 0.815 205 L CB 0.615 42.648 42.059 -0.043 0.000 1.188 205 L HN 0.475 nan 8.230 nan 0.000 0.551 206 E N 0.094 120.260 120.200 -0.057 0.000 2.354 206 E HA 0.247 4.597 4.350 0.000 0.000 0.269 206 E C 0.279 176.807 176.600 -0.120 0.000 1.036 206 E CA -0.339 56.003 56.400 -0.097 0.000 0.876 206 E CB 0.969 30.688 29.700 0.031 0.000 1.009 206 E HN 0.250 nan 8.360 nan 0.000 0.416 207 S N 0.812 116.412 115.700 -0.167 0.000 3.628 207 S HA -0.171 4.299 4.470 0.000 0.000 0.373 207 S C 0.211 174.745 174.600 -0.110 0.000 0.968 207 S CA 0.258 58.381 58.200 -0.127 0.000 1.215 207 S CB -1.489 61.662 63.200 -0.082 0.000 0.912 207 S HN 0.685 nan 8.310 nan 0.000 0.495 208 C N -0.041 119.197 119.300 -0.103 0.000 3.336 208 C HA 0.536 4.996 4.460 0.000 0.000 0.291 208 C C 1.840 176.790 174.990 -0.067 0.000 1.363 208 C CA 0.055 59.024 59.018 -0.082 0.000 1.737 208 C CB -0.466 27.229 27.740 -0.076 0.000 2.274 208 C HN 1.399 nan 8.230 nan 0.000 0.663 209 G N 1.539 110.296 108.800 -0.071 0.000 2.149 209 G HA2 -0.199 3.761 3.960 0.000 0.000 0.235 209 G HA3 -0.199 3.761 3.960 0.000 0.000 0.235 209 G C -0.017 174.848 174.900 -0.058 0.000 1.018 209 G CA 0.302 45.367 45.100 -0.058 0.000 0.728 209 G HN 0.397 nan 8.290 nan 0.000 0.508 210 V N 1.544 121.415 119.914 -0.070 0.000 2.637 210 V HA 0.553 4.673 4.120 0.000 0.000 0.296 210 V C 1.279 177.336 176.094 -0.061 0.000 1.046 210 V CA 0.675 62.937 62.300 -0.064 0.000 1.066 210 V CB 1.005 32.785 31.823 -0.072 0.000 0.968 210 V HN 0.827 nan 8.190 nan 0.000 0.483 211 T N 1.065 115.590 114.554 -0.049 0.000 2.919 211 T HA 0.323 4.673 4.350 0.000 0.000 0.282 211 T C 1.170 175.846 174.700 -0.040 0.000 1.020 211 T CA -0.043 62.031 62.100 -0.044 0.000 0.994 211 T CB 1.525 70.373 68.868 -0.035 0.000 1.180 211 T HN 0.415 nan 8.240 nan 0.000 0.566 212 S N 0.565 116.244 115.700 -0.035 0.000 2.368 212 S HA -0.120 4.350 4.470 0.000 0.000 0.225 212 S C 1.630 176.215 174.600 -0.025 0.000 1.030 212 S CA 1.347 59.529 58.200 -0.030 0.000 0.999 212 S CB -0.612 62.573 63.200 -0.026 0.000 0.844 212 S HN 0.752 nan 8.310 nan 0.000 0.459 213 D N 1.319 121.705 120.400 -0.023 0.000 2.144 213 D HA -0.053 4.587 4.640 0.000 0.000 0.199 213 D C 1.580 177.868 176.300 -0.021 0.000 0.984 213 D CA 0.804 54.792 54.000 -0.020 0.000 0.834 213 D CB -0.570 40.218 40.800 -0.019 0.000 0.955 213 D HN 0.466 nan 8.370 nan 0.000 0.465 214 N N -0.156 118.529 118.700 -0.025 0.000 2.205 214 N HA -0.127 4.613 4.740 0.000 0.000 0.186 214 N C 1.775 177.271 175.510 -0.024 0.000 1.015 214 N CA 0.631 53.666 53.050 -0.026 0.000 0.862 214 N CB 0.022 38.489 38.487 -0.032 0.000 0.986 214 N HN 0.131 nan 8.380 nan 0.000 0.429 215 C N 0.692 119.978 119.300 -0.024 0.000 2.419 215 C HA -0.025 4.435 4.460 0.000 0.000 0.283 215 C C 2.408 177.389 174.990 -0.014 0.000 1.373 215 C CA 0.494 59.500 59.018 -0.020 0.000 1.781 215 C CB -1.073 26.655 27.740 -0.021 0.000 1.886 215 C HN 0.441 nan 8.230 nan 0.000 0.520 216 R N 0.731 121.223 120.500 -0.013 0.000 2.075 216 R HA -0.089 4.251 4.340 0.000 0.000 0.232 216 R C 1.764 178.058 176.300 -0.010 0.000 1.126 216 R CA 1.400 57.494 56.100 -0.010 0.000 0.963 216 R CB -0.306 29.988 30.300 -0.010 0.000 0.858 216 R HN 0.528 nan 8.270 nan 0.000 0.435 217 D N 0.766 121.158 120.400 -0.014 0.000 2.117 217 D HA -0.105 4.535 4.640 0.000 0.000 0.198 217 D C 1.995 178.286 176.300 -0.015 0.000 0.982 217 D CA 1.030 55.021 54.000 -0.015 0.000 0.828 217 D CB -0.049 40.740 40.800 -0.018 0.000 0.967 217 D HN 0.157 nan 8.370 nan 0.000 0.464 218 L N 0.530 121.744 121.223 -0.015 0.000 2.083 218 L HA -0.175 4.165 4.340 0.000 0.000 0.209 218 L C 2.818 179.683 176.870 -0.009 0.000 1.083 218 L CA 0.600 55.432 54.840 -0.013 0.000 0.752 218 L CB -0.379 41.671 42.059 -0.014 0.000 0.899 218 L HN 0.186 nan 8.230 nan 0.000 0.433 219 C N 0.530 119.826 119.300 -0.006 0.000 2.398 219 C HA -0.178 4.282 4.460 0.000 0.000 0.276 219 C C 2.921 177.909 174.990 -0.004 0.000 1.222 219 C CA 1.244 60.262 59.018 0.001 0.000 1.746 219 C CB -1.283 26.459 27.740 0.004 0.000 2.039 219 C HN 0.659 nan 8.230 nan 0.000 0.470 220 G N 0.148 108.942 108.800 -0.010 0.000 2.442 220 G HA2 -0.151 3.809 3.960 0.000 0.000 0.219 220 G HA3 -0.151 3.809 3.960 0.000 0.000 0.219 220 G C 1.541 176.422 174.900 -0.033 0.000 1.141 220 G CA 1.177 46.265 45.100 -0.020 0.000 0.763 220 G HN 0.631 nan 8.290 nan 0.000 0.554 221 I N 0.321 120.876 120.570 -0.025 0.000 2.226 221 I HA -0.151 4.019 4.170 0.000 0.000 0.245 221 I C 2.742 178.842 176.117 -0.029 0.000 1.100 221 I CA 0.517 61.802 61.300 -0.026 0.000 1.374 221 I CB -0.206 37.784 38.000 -0.017 0.000 1.057 221 I HN 0.024 nan 8.210 nan 0.000 0.413 222 V N 0.971 120.874 119.914 -0.018 0.000 2.407 222 V HA -0.262 3.858 4.120 0.000 0.000 0.248 222 V C 2.589 178.664 176.094 -0.032 0.000 1.055 222 V CA 1.929 64.222 62.300 -0.011 0.000 1.049 222 V CB -0.939 30.889 31.823 0.008 0.000 0.662 222 V HN 0.501 nan 8.190 nan 0.000 0.455 223 A N 0.217 123.004 122.820 -0.055 0.000 2.067 223 A HA -0.094 4.226 4.320 0.000 0.000 0.217 223 A C 2.414 179.814 177.584 -0.308 0.000 1.156 223 A CA 1.785 53.731 52.037 -0.151 0.000 0.683 223 A CB -0.287 18.659 19.000 -0.091 0.000 0.808 223 A HN 0.666 nan 8.150 nan 0.000 0.455 224 S N -1.267 114.330 115.700 -0.173 0.000 2.506 224 S HA 0.136 4.606 4.470 0.000 0.000 0.230 224 S C 0.725 175.267 174.600 -0.098 0.000 1.066 224 S CA -0.137 57.969 58.200 -0.156 0.000 0.940 224 S CB -0.114 63.026 63.200 -0.100 0.000 0.818 224 S HN 0.210 nan 8.310 nan 0.000 0.518 225 K N 2.850 123.213 120.400 -0.062 0.000 2.054 225 K HA 0.418 4.738 4.320 0.000 0.000 0.242 225 K C 1.062 177.647 176.600 -0.026 0.000 1.157 225 K CA 0.390 56.657 56.287 -0.033 0.000 1.079 225 K CB 0.156 32.647 32.500 -0.016 0.000 1.331 225 K HN 0.451 nan 8.250 nan 0.000 0.317 226 A N 1.917 124.721 122.820 -0.027 0.000 2.076 226 A HA -0.185 4.135 4.320 0.000 0.000 0.220 226 A C 2.096 179.680 177.584 0.001 0.000 1.160 226 A CA 2.046 54.076 52.037 -0.011 0.000 0.653 226 A CB -0.256 18.741 19.000 -0.005 0.000 0.801 226 A HN 0.631 nan 8.150 nan 0.000 0.455 227 S N -1.088 114.613 115.700 0.001 0.000 2.489 227 S HA 0.116 4.587 4.470 0.000 0.000 0.228 227 S C 0.603 175.207 174.600 0.008 0.000 0.995 227 S CA 0.004 58.208 58.200 0.006 0.000 0.934 227 S CB -0.628 62.578 63.200 0.009 0.000 0.771 227 S HN 0.316 nan 8.310 nan 0.000 0.522 228 L N 2.799 124.026 121.223 0.007 0.000 2.559 228 L HA 0.208 4.548 4.340 0.000 0.000 0.274 228 L C 1.255 178.131 176.870 0.010 0.000 1.205 228 L CA 0.270 55.115 54.840 0.009 0.000 0.907 228 L CB 0.348 42.412 42.059 0.008 0.000 1.153 228 L HN 0.072 nan 8.230 nan 0.000 0.490 229 R N 2.558 123.062 120.500 0.007 0.000 2.342 229 R HA 0.270 4.610 4.340 0.000 0.000 0.204 229 R C -0.199 176.102 176.300 0.001 0.000 0.882 229 R CA 0.166 56.268 56.100 0.004 0.000 1.041 229 R CB 0.341 30.639 30.300 -0.003 0.000 1.188 229 R HN 0.695 nan 8.270 nan 0.000 0.598 230 E N 0.868 121.066 120.200 -0.005 0.000 2.256 230 E HA 0.331 4.681 4.350 0.000 0.000 0.268 230 E C -1.657 174.948 176.600 0.009 0.000 0.877 230 E CA -0.681 55.712 56.400 -0.012 0.000 0.757 230 E CB 1.513 31.181 29.700 -0.054 0.000 1.183 230 E HN -0.156 nan 8.360 nan 0.000 0.418 231 L N 3.978 125.222 121.223 0.036 0.000 2.415 231 L HA 0.632 4.973 4.340 0.000 0.000 0.268 231 L C -1.540 175.385 176.870 0.092 0.000 0.984 231 L CA -0.315 54.553 54.840 0.048 0.000 0.853 231 L CB 1.348 43.435 42.059 0.046 0.000 1.215 231 L HN 0.557 nan 8.230 nan 0.000 0.419 232 A N 5.801 128.670 122.820 0.081 0.000 2.258 232 A HA 0.728 5.048 4.320 0.000 0.000 0.316 232 A C -0.186 177.439 177.584 0.069 0.000 1.279 232 A CA -0.313 51.815 52.037 0.152 0.000 0.876 232 A CB 0.393 19.476 19.000 0.138 0.000 1.170 232 A HN 0.792 nan 8.150 nan 0.000 0.520 233 L N 3.279 124.517 121.223 0.024 0.000 3.358 233 L HA 0.261 4.601 4.340 0.000 0.000 0.301 233 L C 1.248 177.946 176.870 -0.287 0.000 1.276 233 L CA -0.381 54.400 54.840 -0.098 0.000 1.028 233 L CB 0.530 42.542 42.059 -0.077 0.000 1.421 233 L HN 0.820 nan 8.230 nan 0.000 0.604 234 G N -0.734 107.783 108.800 -0.471 0.000 2.630 234 G HA2 0.157 4.117 3.960 0.000 0.000 0.236 234 G HA3 0.157 4.117 3.960 0.000 0.000 0.236 234 G C 0.724 174.916 174.900 -1.181 0.000 1.248 234 G CA 0.527 44.821 45.100 -1.343 0.000 0.844 234 G HN 0.219 nan 8.290 nan 0.000 0.588 235 S N -0.200 114.734 115.700 -1.277 0.000 3.706 235 S HA -0.171 4.299 4.470 0.000 0.000 0.363 235 S C 0.160 174.544 174.600 -0.360 0.000 0.999 235 S CA 0.836 58.625 58.200 -0.684 0.000 1.143 235 S CB -1.590 61.264 63.200 -0.578 0.000 0.902 235 S HN 0.818 nan 8.310 nan 0.000 0.476 236 N N 0.996 119.511 118.700 -0.309 0.000 2.235 236 N HA 0.252 4.992 4.740 0.000 0.000 0.293 236 N C -0.837 174.584 175.510 -0.149 0.000 1.083 236 N CA -0.786 52.149 53.050 -0.191 0.000 0.801 236 N CB 1.383 39.766 38.487 -0.174 0.000 1.559 236 N HN 0.253 nan 8.380 nan 0.000 0.472 237 K N 2.289 122.627 120.400 -0.103 0.000 2.449 237 K HA 0.228 4.548 4.320 0.000 0.000 0.237 237 K C 1.147 177.706 176.600 -0.069 0.000 1.265 237 K CA 0.043 56.283 56.287 -0.078 0.000 1.193 237 K CB -0.015 32.451 32.500 -0.058 0.000 1.515 237 K HN 0.364 nan 8.250 nan 0.000 0.259 238 L N 0.421 121.597 121.223 -0.079 0.000 2.131 238 L HA -0.015 4.325 4.340 0.000 0.000 0.206 238 L C 1.260 178.102 176.870 -0.047 0.000 1.087 238 L CA 0.672 55.474 54.840 -0.063 0.000 0.767 238 L CB -0.877 41.139 42.059 -0.071 0.000 0.917 238 L HN 0.750 nan 8.230 nan 0.000 0.441 239 G N 0.548 109.319 108.800 -0.048 0.000 2.806 239 G HA2 -0.282 3.678 3.960 0.000 0.000 0.236 239 G HA3 -0.282 3.678 3.960 0.000 0.000 0.236 239 G C 0.041 174.925 174.900 -0.027 0.000 1.387 239 G CA 0.045 45.124 45.100 -0.035 0.000 0.884 239 G HN 0.232 nan 8.290 nan 0.000 0.560 240 D N -0.745 119.643 120.400 -0.019 0.000 2.219 240 D HA -0.038 4.602 4.640 0.000 0.000 0.205 240 D C 2.688 178.980 176.300 -0.013 0.000 0.970 240 D CA 1.361 55.352 54.000 -0.014 0.000 0.851 240 D CB -0.117 40.677 40.800 -0.009 0.000 0.943 240 D HN 0.289 nan 8.370 nan 0.000 0.488 241 V N 1.056 120.961 119.914 -0.015 0.000 2.307 241 V HA -0.145 3.975 4.120 0.000 0.000 0.245 241 V C 2.617 178.702 176.094 -0.015 0.000 1.045 241 V CA 1.986 64.278 62.300 -0.014 0.000 1.024 241 V CB -1.005 30.809 31.823 -0.015 0.000 0.651 241 V HN 0.215 nan 8.190 nan 0.000 0.449 242 G N -0.442 108.345 108.800 -0.021 0.000 2.446 242 G HA2 -0.277 3.683 3.960 0.000 0.000 0.217 242 G HA3 -0.277 3.683 3.960 0.000 0.000 0.217 242 G C 1.565 176.454 174.900 -0.018 0.000 1.168 242 G CA 1.141 46.227 45.100 -0.023 0.000 0.771 242 G HN 0.277 nan 8.290 nan 0.000 0.551 243 M N 1.229 120.819 119.600 -0.017 0.000 2.080 243 M HA -0.041 4.439 4.480 0.000 0.000 0.260 243 M C 3.034 179.331 176.300 -0.005 0.000 1.068 243 M CA 1.467 56.761 55.300 -0.010 0.000 1.109 243 M CB -1.321 31.274 32.600 -0.009 0.000 1.342 243 M HN 0.333 nan 8.290 nan 0.000 0.405 244 A N -0.323 122.494 122.820 -0.005 0.000 1.972 244 A HA -0.151 4.169 4.320 0.000 0.000 0.219 244 A C 2.044 179.627 177.584 -0.001 0.000 1.169 244 A CA 1.402 53.438 52.037 -0.003 0.000 0.635 244 A CB -0.482 18.516 19.000 -0.004 0.000 0.810 244 A HN 0.481 nan 8.150 nan 0.000 0.446 245 E N -0.237 119.961 120.200 -0.004 0.000 2.158 245 E HA -0.032 4.319 4.350 0.000 0.000 0.191 245 E C 1.937 178.538 176.600 0.001 0.000 0.982 245 E CA 0.664 57.063 56.400 -0.003 0.000 0.823 245 E CB -0.197 29.499 29.700 -0.007 0.000 0.766 245 E HN 0.692 nan 8.360 nan 0.000 0.468 246 L N -0.147 121.077 121.223 0.001 0.000 2.162 246 L HA -0.066 4.274 4.340 0.000 0.000 0.205 246 L C 2.577 179.455 176.870 0.014 0.000 1.086 246 L CA 0.281 55.125 54.840 0.006 0.000 0.778 246 L CB -0.302 41.759 42.059 0.003 0.000 0.928 246 L HN 0.134 nan 8.230 nan 0.000 0.446 247 C N 0.587 119.895 119.300 0.012 0.000 2.401 247 C HA -0.123 4.337 4.460 0.000 0.000 0.276 247 C C 0.305 175.308 174.990 0.023 0.000 1.233 247 C CA 0.843 59.871 59.018 0.016 0.000 1.753 247 C CB -1.577 26.170 27.740 0.011 0.000 2.029 247 C HN 0.353 nan 8.230 nan 0.000 0.478 248 P HA -0.069 nan 4.420 nan 0.000 0.216 248 P C 1.572 178.906 177.300 0.057 0.000 1.150 248 P CA 2.349 65.467 63.100 0.031 0.000 0.843 248 P CB -0.327 31.389 31.700 0.026 0.000 0.787 249 G N -0.573 108.259 108.800 0.052 0.000 2.394 249 G HA2 -0.172 3.788 3.960 0.000 0.000 0.215 249 G HA3 -0.172 3.788 3.960 0.000 0.000 0.215 249 G C 1.448 176.396 174.900 0.079 0.000 1.165 249 G CA 0.308 45.449 45.100 0.068 0.000 0.784 249 G HN 0.214 nan 8.290 nan 0.000 0.535 250 L N -0.047 121.208 121.223 0.053 0.000 2.191 250 L HA 0.046 4.387 4.340 0.000 0.000 0.212 250 L C 2.596 179.500 176.870 0.056 0.000 1.103 250 L CA 0.450 55.320 54.840 0.050 0.000 0.769 250 L CB -0.217 41.864 42.059 0.037 0.000 0.908 250 L HN 0.167 nan 8.230 nan 0.000 0.438 251 L N -1.645 119.609 121.223 0.052 0.000 2.492 251 L HA -0.028 4.312 4.340 0.000 0.000 0.223 251 L C 1.240 178.128 176.870 0.031 0.000 1.132 251 L CA -0.200 54.658 54.840 0.030 0.000 0.850 251 L CB -0.456 41.609 42.059 0.009 0.000 0.966 251 L HN 0.253 nan 8.230 nan 0.000 0.454 252 H N 2.564 121.635 119.070 0.002 0.000 3.001 252 H HA -0.019 4.537 4.556 0.000 0.000 0.334 252 H C -1.486 173.843 175.328 0.002 0.000 1.034 252 H CA -1.084 54.965 56.048 0.002 0.000 1.420 252 H CB 1.374 31.137 29.762 0.003 0.000 1.405 252 H HN -0.043 nan 8.280 nan 0.000 0.593 253 P HA -0.173 nan 4.420 nan 0.000 0.218 253 P C 1.264 178.650 177.300 0.142 0.000 1.148 253 P CA 1.705 64.796 63.100 -0.014 0.000 0.822 253 P CB 0.163 31.795 31.700 -0.113 0.000 0.784 254 S N -1.496 114.432 115.700 0.380 0.000 2.489 254 S HA 0.004 4.474 4.470 0.000 0.000 0.228 254 S C 1.298 175.966 174.600 0.113 0.000 0.995 254 S CA -0.062 58.259 58.200 0.202 0.000 0.934 254 S CB -0.993 62.293 63.200 0.143 0.000 0.771 254 S HN 0.094 nan 8.310 nan 0.000 0.522 255 S N 1.416 117.198 115.700 0.135 0.000 2.531 255 S HA 0.320 4.791 4.470 0.000 0.000 0.279 255 S C 0.458 175.089 174.600 0.052 0.000 1.305 255 S CA -0.589 57.653 58.200 0.070 0.000 1.058 255 S CB 0.236 63.483 63.200 0.077 0.000 0.899 255 S HN 0.523 nan 8.310 nan 0.000 0.493 256 R N 3.409 123.929 120.500 0.035 0.000 2.690 256 R HA 0.232 4.572 4.340 0.000 0.000 0.419 256 R C -0.467 175.848 176.300 0.025 0.000 1.090 256 R CA -0.578 55.539 56.100 0.028 0.000 1.064 256 R CB 0.374 30.688 30.300 0.024 0.000 1.391 256 R HN 0.523 nan 8.270 nan 0.000 0.586 257 L N 2.351 123.591 121.223 0.029 0.000 2.601 257 L HA -0.045 4.295 4.340 0.000 0.000 0.277 257 L C 1.195 178.085 176.870 0.034 0.000 1.219 257 L CA 1.336 56.194 54.840 0.031 0.000 0.915 257 L CB 0.528 42.610 42.059 0.037 0.000 1.160 257 L HN 0.353 nan 8.230 nan 0.000 0.494 258 R N 2.844 123.362 120.500 0.030 0.000 2.146 258 R HA 0.098 4.438 4.340 0.000 0.000 0.206 258 R C -0.161 176.169 176.300 0.050 0.000 1.049 258 R CA 0.483 56.603 56.100 0.033 0.000 1.029 258 R CB 0.432 30.743 30.300 0.018 0.000 0.949 258 R HN 0.722 nan 8.270 nan 0.000 0.471 259 T N 1.532 116.113 114.554 0.046 0.000 2.841 259 T HA 0.394 4.744 4.350 0.000 0.000 0.285 259 T C -1.554 173.232 174.700 0.143 0.000 0.991 259 T CA -0.522 61.624 62.100 0.077 0.000 0.966 259 T CB 1.974 70.812 68.868 -0.050 0.000 0.962 259 T HN 0.027 nan 8.240 nan 0.000 0.438 260 L N 3.553 124.931 121.223 0.259 0.000 2.377 260 L HA 0.500 4.840 4.340 0.000 0.000 0.270 260 L C -1.457 175.665 176.870 0.420 0.000 0.991 260 L CA -0.559 54.431 54.840 0.251 0.000 0.851 260 L CB 0.732 42.884 42.059 0.154 0.000 1.218 260 L HN 0.772 nan 8.230 nan 0.000 0.420 261 W N 8.254 129.577 121.300 0.038 0.000 2.295 261 W HA 0.419 5.079 4.660 0.000 0.000 0.333 261 W C -0.074 176.481 176.519 0.060 0.000 0.990 261 W CA -0.704 56.700 57.345 0.099 0.000 1.453 261 W CB 1.321 30.854 29.460 0.121 0.000 1.263 261 W HN 0.566 nan 8.180 nan 0.000 0.380 262 I N 3.677 124.232 120.570 -0.025 0.000 2.998 262 I HA 0.233 4.403 4.170 0.000 0.000 0.338 262 I C 0.162 176.174 176.117 -0.175 0.000 1.413 262 I CA -0.640 60.580 61.300 -0.132 0.000 0.880 262 I CB -0.436 37.523 38.000 -0.068 0.000 2.051 262 I HN 0.089 nan 8.210 nan 0.000 0.561 263 W N 1.533 122.690 121.300 -0.238 0.000 2.202 263 W HA 0.402 5.062 4.660 0.000 0.000 0.332 263 W C 0.116 176.565 176.519 -0.117 0.000 1.263 263 W CA -0.590 56.628 57.345 -0.213 0.000 1.223 263 W CB -0.148 29.150 29.460 -0.269 0.000 1.128 263 W HN 0.464 nan 8.180 nan 0.000 0.573 264 E N 0.620 120.854 120.200 0.057 0.000 2.197 264 E HA -0.218 4.132 4.350 0.000 0.000 0.184 264 E C 0.020 176.510 176.600 -0.182 0.000 1.439 264 E CA 0.274 56.653 56.400 -0.035 0.000 0.688 264 E CB -1.421 28.325 29.700 0.077 0.000 1.090 264 E HN 0.492 nan 8.360 nan 0.000 0.341 265 C N 0.518 119.729 119.300 -0.148 0.000 2.994 265 C HA 0.345 4.805 4.460 0.000 0.000 0.284 265 C C 1.649 176.585 174.990 -0.090 0.000 1.404 265 C CA 0.147 59.075 59.018 -0.150 0.000 1.775 265 C CB -0.374 27.271 27.740 -0.158 0.000 2.458 265 C HN 0.929 nan 8.230 nan 0.000 0.593 266 G N 1.901 110.661 108.800 -0.067 0.000 2.179 266 G HA2 -0.253 3.707 3.960 0.000 0.000 0.257 266 G HA3 -0.253 3.707 3.960 0.000 0.000 0.257 266 G C -0.048 174.831 174.900 -0.035 0.000 1.010 266 G CA 0.099 45.172 45.100 -0.045 0.000 0.736 266 G HN 0.609 nan 8.290 nan 0.000 0.513 267 I N 1.180 121.729 120.570 -0.035 0.000 2.532 267 I HA 0.530 4.700 4.170 0.000 0.000 0.292 267 I C 1.211 177.323 176.117 -0.009 0.000 1.014 267 I CA 0.227 61.514 61.300 -0.021 0.000 1.340 267 I CB 1.384 39.371 38.000 -0.021 0.000 1.422 267 I HN 0.344 nan 8.210 nan 0.000 0.528 268 T N 1.255 115.809 114.554 -0.000 0.000 2.762 268 T HA 0.544 4.894 4.350 0.000 0.000 0.272 268 T C 0.977 175.690 174.700 0.022 0.000 0.982 268 T CA -0.173 61.934 62.100 0.011 0.000 1.013 268 T CB 1.341 70.214 68.868 0.008 0.000 1.309 268 T HN 0.533 nan 8.240 nan 0.000 0.572 269 A N 0.216 123.054 122.820 0.030 0.000 1.986 269 A HA -0.087 4.233 4.320 0.000 0.000 0.220 269 A C 2.286 179.879 177.584 0.015 0.000 1.171 269 A CA 2.219 54.275 52.037 0.031 0.000 0.640 269 A CB -1.080 17.938 19.000 0.029 0.000 0.811 269 A HN 0.913 nan 8.150 nan 0.000 0.451 270 K N -0.764 119.642 120.400 0.009 0.000 2.002 270 K HA -0.104 4.216 4.320 0.000 0.000 0.209 270 K C 2.061 178.663 176.600 0.003 0.000 1.048 270 K CA 1.455 57.744 56.287 0.003 0.000 0.930 270 K CB -0.550 31.950 32.500 0.001 0.000 0.714 270 K HN 0.373 nan 8.250 nan 0.000 0.438 271 G N 0.566 109.368 108.800 0.003 0.000 2.422 271 G HA2 -0.271 3.689 3.960 0.000 0.000 0.218 271 G HA3 -0.271 3.689 3.960 0.000 0.000 0.218 271 G C 1.687 176.592 174.900 0.007 0.000 1.140 271 G CA 0.781 45.882 45.100 0.002 0.000 0.775 271 G HN 0.505 nan 8.290 nan 0.000 0.545 272 C N 0.981 120.290 119.300 0.015 0.000 2.429 272 C HA 0.071 4.532 4.460 0.000 0.000 0.277 272 C C 3.219 178.216 174.990 0.012 0.000 1.262 272 C CA 1.468 60.500 59.018 0.023 0.000 1.733 272 C CB -1.126 26.639 27.740 0.040 0.000 2.010 272 C HN 0.431 nan 8.230 nan 0.000 0.483 273 G N 0.054 108.857 108.800 0.004 0.000 2.440 273 G HA2 -0.227 3.733 3.960 0.000 0.000 0.218 273 G HA3 -0.227 3.733 3.960 0.000 0.000 0.218 273 G C 1.308 176.206 174.900 -0.002 0.000 1.154 273 G CA 1.343 46.441 45.100 -0.004 0.000 0.767 273 G HN 0.571 nan 8.290 nan 0.000 0.552 274 D N 0.046 120.446 120.400 0.000 0.000 2.144 274 D HA -0.076 4.564 4.640 0.000 0.000 0.199 274 D C 2.382 178.685 176.300 0.005 0.000 0.984 274 D CA 0.487 54.487 54.000 0.001 0.000 0.834 274 D CB -0.268 40.533 40.800 0.001 0.000 0.955 274 D HN 0.240 nan 8.370 nan 0.000 0.465 275 L N 0.590 121.818 121.223 0.009 0.000 2.083 275 L HA -0.115 4.225 4.340 0.000 0.000 0.209 275 L C 2.138 179.017 176.870 0.014 0.000 1.083 275 L CA 1.326 56.175 54.840 0.015 0.000 0.752 275 L CB -0.393 41.679 42.059 0.022 0.000 0.899 275 L HN 0.031 nan 8.230 nan 0.000 0.433 276 C N -0.783 118.522 119.300 0.008 0.000 2.419 276 C HA -0.101 4.359 4.460 0.000 0.000 0.281 276 C C 2.814 177.803 174.990 -0.002 0.000 1.336 276 C CA 0.538 59.557 59.018 0.002 0.000 1.770 276 C CB -1.114 26.621 27.740 -0.009 0.000 1.929 276 C HN 0.489 nan 8.230 nan 0.000 0.509 277 R N 0.194 120.693 120.500 -0.002 0.000 2.096 277 R HA -0.098 4.242 4.340 0.000 0.000 0.235 277 R C 2.042 178.341 176.300 -0.002 0.000 1.127 277 R CA 1.270 57.367 56.100 -0.004 0.000 0.968 277 R CB -0.222 30.076 30.300 -0.004 0.000 0.861 277 R HN 0.424 nan 8.270 nan 0.000 0.440 278 V N 0.864 120.781 119.914 0.005 0.000 2.307 278 V HA -0.218 3.902 4.120 0.000 0.000 0.245 278 V C 2.070 178.168 176.094 0.006 0.000 1.045 278 V CA 1.341 63.646 62.300 0.008 0.000 1.024 278 V CB -0.362 31.472 31.823 0.018 0.000 0.651 278 V HN 0.188 nan 8.190 nan 0.000 0.449 279 L N 0.020 121.248 121.223 0.008 0.000 2.079 279 L HA -0.159 4.181 4.340 0.000 0.000 0.210 279 L C 2.526 179.388 176.870 -0.013 0.000 1.081 279 L CA 1.863 56.705 54.840 0.004 0.000 0.752 279 L CB -0.971 41.097 42.059 0.014 0.000 0.896 279 L HN 0.267 nan 8.230 nan 0.000 0.433 280 R N -1.179 119.313 120.500 -0.012 0.000 2.189 280 R HA 0.029 4.369 4.340 0.000 0.000 0.218 280 R C 1.990 178.277 176.300 -0.022 0.000 1.074 280 R CA 0.995 57.084 56.100 -0.019 0.000 0.991 280 R CB -0.286 30.006 30.300 -0.014 0.000 0.883 280 R HN 0.366 nan 8.270 nan 0.000 0.457 281 A N 0.536 123.345 122.820 -0.018 0.000 2.140 281 A HA 0.098 4.418 4.320 0.000 0.000 0.209 281 A C 0.277 177.849 177.584 -0.019 0.000 1.181 281 A CA 0.262 52.288 52.037 -0.018 0.000 0.824 281 A CB 0.518 19.509 19.000 -0.015 0.000 0.879 281 A HN -0.094 nan 8.150 nan 0.000 0.480 282 K N 1.386 121.775 120.400 -0.017 0.000 2.404 282 K HA 0.305 4.625 4.320 0.000 0.000 0.257 282 K C -0.388 176.192 176.600 -0.034 0.000 1.026 282 K CA -0.143 56.136 56.287 -0.014 0.000 0.951 282 K CB 1.143 33.645 32.500 0.004 0.000 1.203 282 K HN 0.456 nan 8.250 nan 0.000 0.446 283 E N 0.347 120.517 120.200 -0.050 0.000 2.347 283 E HA -0.120 4.230 4.350 0.000 0.000 0.196 283 E C 1.111 177.674 176.600 -0.062 0.000 1.008 283 E CA 0.921 57.266 56.400 -0.090 0.000 0.852 283 E CB 0.190 29.832 29.700 -0.097 0.000 0.783 283 E HN 0.488 nan 8.360 nan 0.000 0.505 284 S N 0.838 116.524 115.700 -0.023 0.000 2.453 284 S HA -0.068 4.402 4.470 0.000 0.000 0.231 284 S C 0.949 175.556 174.600 0.011 0.000 1.005 284 S CA -0.054 58.145 58.200 -0.002 0.000 0.949 284 S CB -0.143 63.064 63.200 0.011 0.000 0.774 284 S HN 0.095 nan 8.310 nan 0.000 0.510 285 L N 2.589 123.819 121.223 0.011 0.000 2.456 285 L HA 0.314 4.654 4.340 0.000 0.000 0.277 285 L C 0.791 177.688 176.870 0.046 0.000 1.124 285 L CA 0.187 55.049 54.840 0.037 0.000 0.880 285 L CB 0.385 42.469 42.059 0.042 0.000 1.192 285 L HN -0.082 nan 8.230 nan 0.000 0.463 286 K N 3.309 123.750 120.400 0.069 0.000 2.365 286 K HA 0.268 4.588 4.320 0.000 0.000 0.195 286 K C -0.310 176.376 176.600 0.143 0.000 1.079 286 K CA 0.507 56.848 56.287 0.091 0.000 0.979 286 K CB 0.525 33.072 32.500 0.079 0.000 0.929 286 K HN 0.619 nan 8.250 nan 0.000 0.523 287 E N 1.047 121.346 120.200 0.166 0.000 2.246 287 E HA 0.392 4.742 4.350 0.000 0.000 0.266 287 E C -1.383 175.445 176.600 0.381 0.000 0.880 287 E CA -0.723 55.842 56.400 0.275 0.000 0.762 287 E CB 2.102 31.916 29.700 0.190 0.000 1.180 287 E HN -0.156 nan 8.360 nan 0.000 0.416 288 L N 1.760 123.221 121.223 0.397 0.000 2.410 288 L HA 0.530 4.870 4.340 0.000 0.000 0.270 288 L C -1.313 175.571 176.870 0.023 0.000 0.983 288 L CA -0.278 54.715 54.840 0.255 0.000 0.822 288 L CB 2.237 44.395 42.059 0.164 0.000 1.285 288 L HN 0.448 nan 8.230 nan 0.000 0.409 289 S N 4.994 120.481 115.700 -0.355 0.000 2.552 289 S HA 0.623 5.093 4.470 0.000 0.000 0.314 289 S C -0.094 174.344 174.600 -0.270 0.000 1.099 289 S CA -0.511 57.302 58.200 -0.645 0.000 1.070 289 S CB 0.766 62.851 63.200 -1.859 0.000 0.998 289 S HN 0.762 nan 8.310 nan 0.000 0.474 290 L N 3.629 124.787 121.223 -0.108 0.000 3.122 290 L HA 0.453 4.793 4.340 0.000 0.000 0.274 290 L C 1.009 177.857 176.870 -0.037 0.000 1.222 290 L CA -0.387 54.428 54.840 -0.041 0.000 1.028 290 L CB 0.172 42.240 42.059 0.015 0.000 1.386 290 L HN 0.766 nan 8.230 nan 0.000 0.578 291 A N -0.070 122.724 122.820 -0.042 0.000 2.561 291 A HA 0.357 4.677 4.320 0.000 0.000 0.234 291 A C 1.522 179.122 177.584 0.026 0.000 1.055 291 A CA 0.969 52.982 52.037 -0.040 0.000 0.756 291 A CB -0.185 18.792 19.000 -0.039 0.000 0.986 291 A HN 0.678 nan 8.150 nan 0.000 0.505 292 G N 1.492 110.272 108.800 -0.034 0.000 2.168 292 G HA2 -0.237 3.723 3.960 0.000 0.000 0.263 292 G HA3 -0.237 3.723 3.960 0.000 0.000 0.263 292 G C 0.106 174.997 174.900 -0.015 0.000 0.977 292 G CA 0.365 45.469 45.100 0.007 0.000 0.659 292 G HN 0.874 nan 8.290 nan 0.000 0.533 293 N N 0.513 119.183 118.700 -0.050 0.000 2.430 293 N HA 0.297 5.037 4.740 0.000 0.000 0.292 293 N C -0.048 175.420 175.510 -0.071 0.000 1.051 293 N CA -0.411 52.611 53.050 -0.047 0.000 0.917 293 N CB 1.303 39.769 38.487 -0.036 0.000 1.164 293 N HN 0.424 nan 8.380 nan 0.000 0.484 294 E N 3.217 123.391 120.200 -0.044 0.000 2.053 294 E HA 0.023 4.373 4.350 0.000 0.000 0.297 294 E C 0.776 177.374 176.600 -0.004 0.000 1.173 294 E CA -0.093 56.286 56.400 -0.035 0.000 1.219 294 E CB -0.353 29.338 29.700 -0.015 0.000 1.103 294 E HN 0.515 nan 8.360 nan 0.000 0.476 295 L N 1.978 123.198 121.223 -0.005 0.000 2.131 295 L HA 0.118 4.458 4.340 0.000 0.000 0.206 295 L C 1.375 178.355 176.870 0.184 0.000 1.087 295 L CA 0.625 55.526 54.840 0.102 0.000 0.767 295 L CB -0.785 41.387 42.059 0.188 0.000 0.917 295 L HN 0.652 nan 8.230 nan 0.000 0.441 296 G N 0.359 109.290 108.800 0.219 0.000 2.860 296 G HA2 -0.260 3.700 3.960 0.000 0.000 0.553 296 G HA3 -0.260 3.700 3.960 0.000 0.000 0.553 296 G C -0.025 175.097 174.900 0.369 0.000 1.439 296 G CA -0.080 45.179 45.100 0.264 0.000 0.879 296 G HN 0.209 nan 8.290 nan 0.000 0.545 297 D N -0.147 120.391 120.400 0.230 0.000 2.263 297 D HA -0.062 4.578 4.640 0.000 0.000 0.208 297 D C 1.988 178.286 176.300 -0.003 0.000 0.971 297 D CA 1.355 55.409 54.000 0.090 0.000 0.867 297 D CB 0.012 40.860 40.800 0.081 0.000 0.929 297 D HN 0.674 nan 8.370 nan 0.000 0.492 298 E N 0.326 120.547 120.200 0.034 0.000 2.072 298 E HA -0.105 4.245 4.350 0.000 0.000 0.191 298 E C 2.106 178.691 176.600 -0.026 0.000 0.985 298 E CA 1.048 57.441 56.400 -0.012 0.000 0.801 298 E CB -0.077 29.631 29.700 0.013 0.000 0.750 298 E HN 0.249 nan 8.360 nan 0.000 0.452 299 G N 0.544 109.380 108.800 0.059 0.000 2.403 299 G HA2 -0.191 3.769 3.960 0.000 0.000 0.216 299 G HA3 -0.191 3.769 3.960 0.000 0.000 0.216 299 G C 1.629 176.536 174.900 0.013 0.000 1.154 299 G CA 0.725 45.875 45.100 0.083 0.000 0.784 299 G HN 0.381 nan 8.290 nan 0.000 0.538 300 A N 0.876 123.645 122.820 -0.084 0.000 1.902 300 A HA -0.052 4.268 4.320 0.000 0.000 0.217 300 A C 2.299 179.575 177.584 -0.512 0.000 1.181 300 A CA 1.921 53.679 52.037 -0.465 0.000 0.623 300 A CB -0.456 18.008 19.000 -0.894 0.000 0.818 300 A HN 0.383 nan 8.150 nan 0.000 0.443 301 R N -0.288 119.941 120.500 -0.452 0.000 2.081 301 R HA -0.059 4.281 4.340 0.000 0.000 0.235 301 R C 1.937 178.002 176.300 -0.392 0.000 1.131 301 R CA 1.559 57.291 56.100 -0.614 0.000 0.960 301 R CB -0.420 29.547 30.300 -0.555 0.000 0.856 301 R HN 0.507 nan 8.270 nan 0.000 0.436 302 L N 0.599 121.681 121.223 -0.234 0.000 2.046 302 L HA -0.184 4.156 4.340 0.000 0.000 0.208 302 L C 2.478 179.265 176.870 -0.139 0.000 1.077 302 L CA 1.134 55.886 54.840 -0.147 0.000 0.747 302 L CB -0.411 41.601 42.059 -0.078 0.000 0.896 302 L HN 0.265 nan 8.230 nan 0.000 0.432 303 L N -1.138 119.998 121.223 -0.145 0.000 2.046 303 L HA -0.253 4.087 4.340 0.000 0.000 0.208 303 L C 2.710 179.474 176.870 -0.176 0.000 1.077 303 L CA 1.160 55.935 54.840 -0.107 0.000 0.747 303 L CB -0.584 41.452 42.059 -0.038 0.000 0.896 303 L HN 0.409 nan 8.230 nan 0.000 0.432 304 C N -0.145 118.949 119.300 -0.343 0.000 2.440 304 C HA -0.115 4.345 4.460 0.000 0.000 0.278 304 C C 2.610 177.495 174.990 -0.176 0.000 1.295 304 C CA 0.503 59.321 59.018 -0.333 0.000 1.738 304 C CB -0.747 26.693 27.740 -0.500 0.000 1.987 304 C HN 0.518 nan 8.230 nan 0.000 0.492 305 E N 0.348 120.444 120.200 -0.174 0.000 2.077 305 E HA -0.178 4.172 4.350 0.000 0.000 0.193 305 E C 2.089 178.652 176.600 -0.061 0.000 0.989 305 E CA 1.716 58.055 56.400 -0.101 0.000 0.800 305 E CB -0.351 29.287 29.700 -0.104 0.000 0.746 305 E HN 0.601 nan 8.360 nan 0.000 0.452 306 T N 1.555 116.072 114.554 -0.062 0.000 2.777 306 T HA -0.069 4.281 4.350 0.000 0.000 0.266 306 T C 1.839 176.532 174.700 -0.012 0.000 1.040 306 T CA 0.697 62.778 62.100 -0.031 0.000 1.141 306 T CB -0.110 68.743 68.868 -0.025 0.000 0.868 306 T HN 0.074 nan 8.240 nan 0.000 0.444 307 L N 0.519 121.734 121.223 -0.013 0.000 2.549 307 L HA 0.129 4.469 4.340 0.000 0.000 0.229 307 L C 1.603 178.498 176.870 0.043 0.000 1.158 307 L CA 0.641 55.497 54.840 0.027 0.000 0.842 307 L CB -0.264 41.817 42.059 0.036 0.000 0.952 307 L HN 0.257 nan 8.230 nan 0.000 0.452 308 L N -1.204 120.029 121.223 0.017 0.000 2.640 308 L HA 0.195 4.535 4.340 0.000 0.000 0.230 308 L C 0.359 177.249 176.870 0.034 0.000 1.123 308 L CA -0.026 54.832 54.840 0.030 0.000 0.900 308 L CB 0.225 42.291 42.059 0.010 0.000 1.146 308 L HN 0.187 nan 8.230 nan 0.000 0.484 309 E N 0.348 120.565 120.200 0.028 0.000 2.221 309 E HA 0.369 4.719 4.350 0.000 0.000 0.268 309 E C -2.308 174.312 176.600 0.033 0.000 0.933 309 E CA -2.124 54.291 56.400 0.024 0.000 0.809 309 E CB 1.191 30.894 29.700 0.006 0.000 1.190 309 E HN -0.136 nan 8.360 nan 0.000 0.406 310 P HA 0.027 nan 4.420 nan 0.000 0.267 310 P C 0.581 177.878 177.300 -0.005 0.000 1.200 310 P CA 0.762 63.885 63.100 0.038 0.000 0.772 310 P CB 0.559 32.282 31.700 0.038 0.000 0.855 311 G N 0.897 109.670 108.800 -0.045 0.000 2.490 311 G HA2 -0.258 3.702 3.960 0.000 0.000 0.214 311 G HA3 -0.258 3.702 3.960 0.000 0.000 0.214 311 G C 0.342 175.151 174.900 -0.152 0.000 1.151 311 G CA -0.073 44.974 45.100 -0.087 0.000 0.684 311 G HN 0.790 nan 8.290 nan 0.000 0.518 312 C N 3.004 122.233 119.300 -0.119 0.000 2.610 312 C HA 0.629 5.089 4.460 0.000 0.000 0.382 312 C C 1.370 176.200 174.990 -0.266 0.000 1.287 312 C CA 0.568 59.513 59.018 -0.122 0.000 1.640 312 C CB -0.616 27.102 27.740 -0.037 0.000 2.335 312 C HN 0.541 nan 8.230 nan 0.000 0.577 313 Q N 3.935 123.518 119.800 -0.361 0.000 2.186 313 Q HA 0.171 4.511 4.340 0.000 0.000 0.241 313 Q C -0.082 175.827 176.000 -0.152 0.000 0.849 313 Q CA -0.592 54.833 55.803 -0.630 0.000 1.053 313 Q CB 0.444 28.680 28.738 -0.837 0.000 1.146 313 Q HN 0.731 nan 8.270 nan 0.000 0.475 314 L N 1.495 122.707 121.223 -0.019 0.000 2.559 314 L HA -0.133 4.207 4.340 0.000 0.000 0.282 314 L C 0.975 177.945 176.870 0.166 0.000 1.232 314 L CA 1.410 56.304 54.840 0.090 0.000 0.885 314 L CB 0.564 42.693 42.059 0.115 0.000 1.131 314 L HN 0.197 nan 8.230 nan 0.000 0.498 315 E N 0.825 121.135 120.200 0.183 0.000 2.372 315 E HA 0.122 4.472 4.350 0.000 0.000 0.201 315 E C -0.201 176.541 176.600 0.235 0.000 0.938 315 E CA 0.132 56.659 56.400 0.212 0.000 0.944 315 E CB 0.692 30.504 29.700 0.187 0.000 0.937 315 E HN 0.550 nan 8.360 nan 0.000 0.495 316 S N 0.656 116.515 115.700 0.265 0.000 2.614 316 S HA 0.491 4.962 4.470 0.000 0.000 0.288 316 S C -1.773 173.063 174.600 0.393 0.000 1.137 316 S CA -0.718 57.696 58.200 0.357 0.000 0.992 316 S CB 1.055 64.504 63.200 0.414 0.000 1.026 316 S HN 0.086 nan 8.310 nan 0.000 0.486 317 L N 5.509 126.957 121.223 0.375 0.000 2.372 317 L HA 0.721 5.061 4.340 0.000 0.000 0.273 317 L C -1.998 175.029 176.870 0.261 0.000 0.989 317 L CA -0.215 54.813 54.840 0.312 0.000 0.841 317 L CB 0.941 43.148 42.059 0.247 0.000 1.225 317 L HN 0.777 nan 8.230 nan 0.000 0.414 318 W N 5.714 126.986 121.300 -0.047 0.000 2.283 318 W HA 0.557 5.217 4.660 0.001 0.000 0.317 318 W C 0.195 176.613 176.519 -0.169 0.000 1.042 318 W CA -0.694 56.545 57.345 -0.177 0.000 1.348 318 W CB 1.649 30.902 29.460 -0.345 0.000 1.216 318 W HN 0.412 nan 8.180 nan 0.000 0.404 319 V N 1.957 121.824 119.914 -0.079 0.000 2.771 319 V HA 0.258 4.378 4.120 0.000 0.000 0.355 319 V C 0.202 176.162 176.094 -0.223 0.000 1.289 319 V CA -1.022 61.236 62.300 -0.069 0.000 1.231 319 V CB -0.896 31.043 31.823 0.193 0.000 1.396 319 V HN 0.370 nan 8.190 nan 0.000 0.628 320 K N -0.440 119.807 120.400 -0.256 0.000 2.237 320 K HA 0.587 4.907 4.320 0.000 0.000 0.270 320 K C 0.421 176.880 176.600 -0.234 0.000 1.015 320 K CA 0.338 56.466 56.287 -0.265 0.000 0.949 320 K CB 0.978 33.297 32.500 -0.301 0.000 0.976 320 K HN 0.286 nan 8.250 nan 0.000 0.472 321 S N 0.543 116.111 115.700 -0.219 0.000 3.706 321 S HA -0.140 4.330 4.470 0.000 0.000 0.363 321 S C 0.120 174.566 174.600 -0.257 0.000 0.999 321 S CA 0.603 58.691 58.200 -0.186 0.000 1.143 321 S CB -1.913 61.220 63.200 -0.111 0.000 0.902 321 S HN 0.739 nan 8.310 nan 0.000 0.476 322 C N 1.071 120.086 119.300 -0.475 0.000 3.000 322 C HA 0.423 4.883 4.460 0.000 0.000 0.286 322 C C 1.396 176.073 174.990 -0.521 0.000 1.343 322 C CA 0.146 58.783 59.018 -0.634 0.000 1.742 322 C CB -1.124 25.894 27.740 -1.203 0.000 2.200 322 C HN 0.904 nan 8.230 nan 0.000 0.621 323 S N 0.618 116.148 115.700 -0.283 0.000 3.698 323 S HA -0.158 4.313 4.470 0.000 0.000 0.338 323 S C -0.234 174.435 174.600 0.116 0.000 1.089 323 S CA 0.380 58.540 58.200 -0.067 0.000 0.991 323 S CB -1.462 61.726 63.200 -0.020 0.000 0.909 323 S HN 0.560 nan 8.310 nan 0.000 0.485 324 F N 2.035 122.005 119.950 0.033 0.000 2.375 324 F HA 0.616 5.143 4.527 -0.000 0.000 0.333 324 F C 1.399 177.227 175.800 0.046 0.000 1.104 324 F CA -0.707 57.329 58.000 0.061 0.000 1.149 324 F CB 0.758 39.806 39.000 0.079 0.000 1.190 324 F HN 0.261 nan 8.300 nan 0.000 0.533 325 T N -1.718 112.987 114.554 0.251 0.000 2.807 325 T HA 0.668 5.018 4.350 0.000 0.000 0.277 325 T C 0.936 175.705 174.700 0.115 0.000 1.006 325 T CA -0.229 61.957 62.100 0.143 0.000 1.006 325 T CB 1.314 70.244 68.868 0.103 0.000 1.274 325 T HN 0.538 nan 8.240 nan 0.000 0.569 326 A N 0.175 123.040 122.820 0.076 0.000 2.024 326 A HA 0.194 4.514 4.320 0.000 0.000 0.220 326 A C 2.501 180.117 177.584 0.053 0.000 1.164 326 A CA 2.009 54.080 52.037 0.056 0.000 0.643 326 A CB -1.575 17.446 19.000 0.035 0.000 0.806 326 A HN 1.327 nan 8.150 nan 0.000 0.451 327 A N -0.522 122.333 122.820 0.058 0.000 2.070 327 A HA -0.157 4.163 4.320 0.000 0.000 0.220 327 A C 2.266 179.893 177.584 0.072 0.000 1.159 327 A CA 1.670 53.736 52.037 0.048 0.000 0.656 327 A CB -1.318 17.715 19.000 0.056 0.000 0.800 327 A HN 1.269 nan 8.150 nan 0.000 0.453 328 C N -3.009 116.354 119.300 0.106 0.000 2.563 328 C HA 0.108 4.568 4.460 0.000 0.000 0.268 328 C C 2.388 177.500 174.990 0.204 0.000 1.365 328 C CA 0.200 59.314 59.018 0.160 0.000 1.754 328 C CB -1.945 25.805 27.740 0.016 0.000 1.932 328 C HN 0.599 nan 8.230 nan 0.000 0.536 329 C N 2.572 121.963 119.300 0.152 0.000 2.419 329 C HA -0.072 4.388 4.460 0.000 0.000 0.281 329 C C 3.274 178.312 174.990 0.081 0.000 1.336 329 C CA 1.858 60.971 59.018 0.158 0.000 1.770 329 C CB -1.495 26.294 27.740 0.082 0.000 1.929 329 C HN 0.874 nan 8.230 nan 0.000 0.509 330 S N 0.318 115.991 115.700 -0.045 0.000 2.382 330 S HA -0.203 4.267 4.470 0.000 0.000 0.228 330 S C 1.625 176.134 174.600 -0.151 0.000 1.027 330 S CA 1.366 59.485 58.200 -0.134 0.000 0.991 330 S CB -0.723 62.328 63.200 -0.248 0.000 0.823 330 S HN 0.720 nan 8.310 nan 0.000 0.469 331 H N 0.382 119.418 119.070 -0.056 0.000 2.299 331 H HA 0.075 4.631 4.556 0.000 0.000 0.302 331 H C 1.860 177.094 175.328 -0.156 0.000 1.078 331 H CA 1.508 57.464 56.048 -0.154 0.000 1.323 331 H CB -0.715 28.872 29.762 -0.292 0.000 1.381 331 H HN 0.483 nan 8.280 nan 0.000 0.498 332 F N 0.877 120.861 119.950 0.056 0.000 2.216 332 F HA -0.178 4.349 4.527 0.000 0.000 0.300 332 F C 2.942 178.750 175.800 0.014 0.000 1.085 332 F CA 1.129 59.139 58.000 0.016 0.000 1.326 332 F CB -0.354 38.639 39.000 -0.012 0.000 1.027 332 F HN 0.067 nan 8.300 nan 0.000 0.497 333 S N -0.781 115.019 115.700 0.167 0.000 2.368 333 S HA -0.187 4.283 4.470 0.000 0.000 0.225 333 S C 2.399 177.035 174.600 0.060 0.000 1.030 333 S CA 1.780 60.033 58.200 0.088 0.000 0.999 333 S CB -0.466 62.757 63.200 0.039 0.000 0.844 333 S HN 0.311 nan 8.310 nan 0.000 0.459 334 S N 0.602 116.325 115.700 0.039 0.000 2.383 334 S HA -0.074 4.396 4.470 0.000 0.000 0.229 334 S C 1.868 176.493 174.600 0.042 0.000 1.030 334 S CA 1.361 59.577 58.200 0.026 0.000 1.002 334 S CB -0.481 62.727 63.200 0.013 0.000 0.829 334 S HN 0.428 nan 8.310 nan 0.000 0.467 335 V N 2.226 122.175 119.914 0.059 0.000 2.261 335 V HA -0.143 3.977 4.120 0.000 0.000 0.246 335 V C 2.132 178.284 176.094 0.096 0.000 1.047 335 V CA 1.513 63.861 62.300 0.079 0.000 1.015 335 V CB -0.737 31.148 31.823 0.104 0.000 0.642 335 V HN 0.450 nan 8.190 nan 0.000 0.446 336 L N 0.015 121.304 121.223 0.110 0.000 2.265 336 L HA -0.148 4.192 4.340 0.000 0.000 0.215 336 L C 2.496 179.398 176.870 0.052 0.000 1.117 336 L CA 1.371 56.263 54.840 0.087 0.000 0.782 336 L CB -0.690 41.419 42.059 0.083 0.000 0.914 336 L HN 0.394 nan 8.230 nan 0.000 0.441 337 A N -0.706 122.140 122.820 0.043 0.000 1.984 337 A HA -0.065 4.255 4.320 0.000 0.000 0.214 337 A C 2.101 179.699 177.584 0.022 0.000 1.173 337 A CA 0.603 52.654 52.037 0.024 0.000 0.673 337 A CB 0.037 19.047 19.000 0.017 0.000 0.830 337 A HN 0.456 nan 8.150 nan 0.000 0.453 338 Q N -0.893 118.927 119.800 0.033 0.000 2.391 338 Q HA 0.116 4.456 4.340 0.000 0.000 0.243 338 Q C 0.314 176.340 176.000 0.043 0.000 0.874 338 Q CA -0.295 55.526 55.803 0.031 0.000 0.950 338 Q CB 0.239 28.997 28.738 0.033 0.000 1.103 338 Q HN 0.491 nan 8.270 nan 0.000 0.544 339 N N 1.304 120.044 118.700 0.066 0.000 2.442 339 N HA 0.086 4.826 4.740 0.000 0.000 0.265 339 N C 0.005 175.547 175.510 0.053 0.000 1.138 339 N CA 0.355 53.467 53.050 0.103 0.000 0.956 339 N CB 0.835 39.408 38.487 0.143 0.000 1.067 339 N HN 0.206 nan 8.380 nan 0.000 0.474 340 R N 3.119 123.595 120.500 -0.041 0.000 2.515 340 R HA 0.217 4.558 4.340 0.000 0.000 0.294 340 R C 0.288 176.360 176.300 -0.380 0.000 1.021 340 R CA 0.051 56.024 56.100 -0.213 0.000 1.081 340 R CB -0.977 29.138 30.300 -0.308 0.000 1.263 340 R HN 0.620 nan 8.270 nan 0.000 0.557 341 F N -1.433 118.554 119.950 0.060 0.000 2.619 341 F HA 0.333 4.860 4.527 0.000 0.000 0.281 341 F C 0.682 176.533 175.800 0.085 0.000 1.065 341 F CA -0.692 57.348 58.000 0.068 0.000 1.304 341 F CB 0.410 39.449 39.000 0.065 0.000 1.059 341 F HN 0.139 nan 8.300 nan 0.000 0.648 342 L N 1.790 123.176 121.223 0.273 0.000 2.456 342 L HA 0.120 4.460 4.340 0.000 0.000 0.277 342 L C 0.377 177.349 176.870 0.171 0.000 1.124 342 L CA 0.555 55.525 54.840 0.217 0.000 0.880 342 L CB 0.129 42.310 42.059 0.204 0.000 1.192 342 L HN 0.181 nan 8.230 nan 0.000 0.463 343 L N 3.203 124.532 121.223 0.178 0.000 2.515 343 L HA 0.333 4.673 4.340 0.000 0.000 0.223 343 L C 0.530 177.502 176.870 0.170 0.000 1.079 343 L CA 0.044 54.975 54.840 0.151 0.000 0.857 343 L CB 0.133 42.279 42.059 0.145 0.000 1.050 343 L HN 0.630 nan 8.230 nan 0.000 0.476 344 E N 1.240 121.569 120.200 0.216 0.000 2.246 344 E HA 0.401 4.752 4.350 0.000 0.000 0.266 344 E C -1.664 175.069 176.600 0.222 0.000 0.880 344 E CA -0.658 55.896 56.400 0.257 0.000 0.762 344 E CB 2.429 32.354 29.700 0.376 0.000 1.180 344 E HN -0.088 nan 8.360 nan 0.000 0.416 345 L N 4.507 125.831 121.223 0.169 0.000 2.377 345 L HA 0.345 4.685 4.340 0.000 0.000 0.270 345 L C -1.289 175.563 176.870 -0.029 0.000 0.991 345 L CA -0.423 54.453 54.840 0.059 0.000 0.851 345 L CB 1.469 43.549 42.059 0.035 0.000 1.218 345 L HN 0.525 nan 8.230 nan 0.000 0.420 346 Q N 5.206 124.793 119.800 -0.356 0.000 2.421 346 Q HA 0.386 4.726 4.340 0.000 0.000 0.242 346 Q C -0.651 175.046 176.000 -0.506 0.000 1.024 346 Q CA 0.507 55.823 55.803 -0.812 0.000 0.891 346 Q CB 0.768 28.191 28.738 -2.192 0.000 1.222 346 Q HN 0.765 nan 8.270 nan 0.000 0.483 347 I N 2.237 122.634 120.570 -0.288 0.000 3.491 347 I HA 0.297 4.467 4.170 0.000 0.000 0.332 347 I C -0.665 175.363 176.117 -0.148 0.000 1.565 347 I CA -0.107 61.068 61.300 -0.209 0.000 1.050 347 I CB 0.402 38.261 38.000 -0.235 0.000 1.348 347 I HN 0.461 nan 8.210 nan 0.000 0.506 348 S N 0.772 116.367 115.700 -0.175 0.000 2.596 348 S HA 0.140 4.610 4.470 0.000 0.000 0.260 348 S C 0.493 175.029 174.600 -0.108 0.000 1.336 348 S CA 0.090 58.230 58.200 -0.100 0.000 0.993 348 S CB 0.353 63.504 63.200 -0.082 0.000 0.923 348 S HN 0.673 nan 8.310 nan 0.000 0.567 349 N N 0.924 119.587 118.700 -0.062 0.000 2.738 349 N HA -0.164 4.576 4.740 0.000 0.000 0.249 349 N C -1.284 174.185 175.510 -0.068 0.000 1.047 349 N CA 0.423 53.438 53.050 -0.060 0.000 0.707 349 N CB -1.185 37.257 38.487 -0.076 0.000 0.937 349 N HN 0.410 nan 8.380 nan 0.000 0.545 350 N N 0.145 118.821 118.700 -0.040 0.000 2.260 350 N HA 0.216 4.956 4.740 0.000 0.000 0.293 350 N C -0.491 175.032 175.510 0.023 0.000 1.058 350 N CA -0.662 52.382 53.050 -0.010 0.000 0.824 350 N CB 1.328 39.834 38.487 0.032 0.000 1.551 350 N HN 0.126 nan 8.380 nan 0.000 0.475 351 R N 2.369 122.891 120.500 0.037 0.000 4.113 351 R HA 0.160 4.500 4.340 0.000 0.000 0.179 351 R C 1.181 177.512 176.300 0.052 0.000 1.781 351 R CA 0.082 56.205 56.100 0.037 0.000 1.402 351 R CB -0.324 29.997 30.300 0.035 0.000 1.375 351 R HN 0.454 nan 8.270 nan 0.000 0.786 352 L N 0.356 121.607 121.223 0.047 0.000 2.109 352 L HA -0.039 4.301 4.340 0.000 0.000 0.207 352 L C 0.443 177.331 176.870 0.030 0.000 1.086 352 L CA 0.792 55.660 54.840 0.047 0.000 0.760 352 L CB -0.434 41.643 42.059 0.031 0.000 0.910 352 L HN 0.529 nan 8.230 nan 0.000 0.437 353 E N -0.328 119.884 120.200 0.019 0.000 9.129 353 E HA -0.223 4.127 4.350 0.000 0.000 0.468 353 E C -0.150 176.454 176.600 0.006 0.000 1.365 353 E CA 0.429 56.836 56.400 0.011 0.000 2.372 353 E CB -0.306 29.402 29.700 0.014 0.000 1.025 353 E HN 0.228 nan 8.360 nan 0.000 0.292 354 D N 0.078 120.478 120.400 0.001 0.000 2.123 354 D HA -0.188 4.452 4.640 0.000 0.000 0.196 354 D C 1.852 178.151 176.300 -0.001 0.000 0.992 354 D CA 1.800 55.798 54.000 -0.003 0.000 0.833 354 D CB -0.308 40.489 40.800 -0.006 0.000 0.954 354 D HN 0.499 nan 8.370 nan 0.000 0.455 355 A N 1.151 123.972 122.820 0.002 0.000 1.892 355 A HA -0.120 4.200 4.320 0.000 0.000 0.218 355 A C 2.422 180.009 177.584 0.006 0.000 1.188 355 A CA 2.373 54.411 52.037 0.003 0.000 0.631 355 A CB -1.136 17.867 19.000 0.004 0.000 0.822 355 A HN 0.327 nan 8.150 nan 0.000 0.447 356 G N -0.908 107.899 108.800 0.012 0.000 2.404 356 G HA2 -0.054 3.906 3.960 0.000 0.000 0.215 356 G HA3 -0.054 3.906 3.960 0.000 0.000 0.215 356 G C 1.518 176.426 174.900 0.013 0.000 1.174 356 G CA 1.102 46.214 45.100 0.019 0.000 0.780 356 G HN 0.315 nan 8.290 nan 0.000 0.537 357 V N 0.789 120.706 119.914 0.005 0.000 2.332 357 V HA -0.190 3.930 4.120 0.000 0.000 0.248 357 V C 2.942 179.034 176.094 -0.003 0.000 1.055 357 V CA 2.000 64.299 62.300 -0.002 0.000 1.038 357 V CB -0.454 31.365 31.823 -0.007 0.000 0.651 357 V HN 0.320 nan 8.190 nan 0.000 0.450 358 R N -0.346 120.152 120.500 -0.003 0.000 2.120 358 R HA -0.163 4.177 4.340 0.000 0.000 0.234 358 R C 2.254 178.552 176.300 -0.003 0.000 1.123 358 R CA 1.504 57.600 56.100 -0.006 0.000 0.975 358 R CB -0.239 30.057 30.300 -0.007 0.000 0.866 358 R HN 0.654 nan 8.270 nan 0.000 0.446 359 E N 0.682 120.883 120.200 0.001 0.000 2.047 359 E HA -0.141 4.210 4.350 0.000 0.000 0.191 359 E C 2.084 178.691 176.600 0.012 0.000 0.987 359 E CA 0.877 57.278 56.400 0.002 0.000 0.799 359 E CB -0.080 29.621 29.700 0.003 0.000 0.752 359 E HN 0.278 nan 8.360 nan 0.000 0.449 360 L N 0.605 121.840 121.223 0.020 0.000 2.079 360 L HA -0.232 4.108 4.340 0.000 0.000 0.210 360 L C 2.600 179.478 176.870 0.014 0.000 1.081 360 L CA 0.747 55.604 54.840 0.028 0.000 0.752 360 L CB -0.508 41.561 42.059 0.016 0.000 0.896 360 L HN 0.309 nan 8.230 nan 0.000 0.433 361 C N -0.454 118.847 119.300 0.001 0.000 2.422 361 C HA -0.146 4.314 4.460 0.000 0.000 0.279 361 C C 2.836 177.821 174.990 -0.009 0.000 1.305 361 C CA 0.542 59.555 59.018 -0.008 0.000 1.757 361 C CB -0.830 26.902 27.740 -0.013 0.000 1.962 361 C HN 0.547 nan 8.230 nan 0.000 0.499 362 Q N 0.328 120.125 119.800 -0.005 0.000 2.084 362 Q HA -0.094 4.246 4.340 0.000 0.000 0.202 362 Q C 2.542 178.539 176.000 -0.005 0.000 0.978 362 Q CA 1.859 57.657 55.803 -0.008 0.000 0.844 362 Q CB -0.506 28.227 28.738 -0.007 0.000 0.898 362 Q HN 0.776 nan 8.270 nan 0.000 0.426 363 G N 1.014 109.817 108.800 0.006 0.000 2.403 363 G HA2 -0.179 3.781 3.960 0.000 0.000 0.216 363 G HA3 -0.179 3.781 3.960 0.000 0.000 0.216 363 G C 1.404 176.308 174.900 0.007 0.000 1.154 363 G CA 0.109 45.217 45.100 0.013 0.000 0.784 363 G HN 0.171 nan 8.290 nan 0.000 0.538 364 L N 0.749 121.975 121.223 0.005 0.000 2.201 364 L HA 0.032 4.372 4.340 0.000 0.000 0.212 364 L C 2.749 179.600 176.870 -0.032 0.000 1.105 364 L CA 0.906 55.743 54.840 -0.006 0.000 0.775 364 L CB -0.248 41.808 42.059 -0.006 0.000 0.913 364 L HN 0.349 nan 8.230 nan 0.000 0.440 365 G N -1.142 107.636 108.800 -0.035 0.000 2.848 365 G HA2 -0.070 3.890 3.960 0.000 0.000 0.208 365 G HA3 -0.070 3.890 3.960 0.000 0.000 0.208 365 G C 0.765 175.629 174.900 -0.060 0.000 1.152 365 G CA -0.262 44.804 45.100 -0.058 0.000 0.789 365 G HN 0.212 nan 8.290 nan 0.000 0.531 366 Q N -0.089 119.688 119.800 -0.040 0.000 2.443 366 Q HA 0.137 4.477 4.340 0.000 0.000 0.232 366 Q C -1.334 174.642 176.000 -0.040 0.000 1.026 366 Q CA -1.563 54.222 55.803 -0.030 0.000 0.924 366 Q CB 1.024 29.754 28.738 -0.013 0.000 1.256 366 Q HN 0.031 nan 8.270 nan 0.000 0.519 367 P HA -0.078 nan 4.420 nan 0.000 0.216 367 P C 0.699 178.003 177.300 0.007 0.000 1.153 367 P CA 1.414 64.511 63.100 -0.004 0.000 0.848 367 P CB 0.190 31.898 31.700 0.012 0.000 0.787 368 G N -0.727 108.073 108.800 0.000 0.000 3.141 368 G HA2 0.041 4.001 3.960 0.000 0.000 0.218 368 G HA3 0.041 4.001 3.960 0.000 0.000 0.218 368 G C 0.239 175.135 174.900 -0.005 0.000 1.170 368 G CA -0.023 45.077 45.100 -0.001 0.000 0.769 368 G HN 0.341 nan 8.290 nan 0.000 0.546 369 S N -0.142 115.554 115.700 -0.007 0.000 2.563 369 S HA 0.221 4.691 4.470 0.000 0.000 0.284 369 S C 1.090 175.692 174.600 0.004 0.000 1.331 369 S CA 0.173 58.372 58.200 -0.002 0.000 1.047 369 S CB 1.772 64.966 63.200 -0.009 0.000 0.859 369 S HN 0.704 nan 8.310 nan 0.000 0.514 370 V N -0.631 119.291 119.914 0.012 0.000 3.451 370 V HA 0.407 4.527 4.120 0.000 0.000 0.288 370 V C 0.334 176.452 176.094 0.039 0.000 1.502 370 V CA -0.470 61.840 62.300 0.018 0.000 1.026 370 V CB -0.622 31.200 31.823 -0.001 0.000 0.840 370 V HN 0.722 nan 8.190 nan 0.000 0.437 371 L N 3.399 124.650 121.223 0.047 0.000 2.601 371 L HA 0.184 4.524 4.340 0.000 0.000 0.277 371 L C 1.641 178.541 176.870 0.050 0.000 1.219 371 L CA 1.322 56.200 54.840 0.062 0.000 0.915 371 L CB 0.580 42.674 42.059 0.060 0.000 1.160 371 L HN 0.649 nan 8.230 nan 0.000 0.494 372 R N 3.123 123.661 120.500 0.063 0.000 2.316 372 R HA 0.329 4.669 4.340 0.000 0.000 0.201 372 R C -0.797 175.522 176.300 0.032 0.000 0.888 372 R CA -0.121 56.006 56.100 0.046 0.000 1.041 372 R CB 0.371 30.704 30.300 0.055 0.000 1.115 372 R HN 0.363 nan 8.270 nan 0.000 0.559 373 V N 2.309 122.258 119.914 0.059 0.000 2.525 373 V HA 0.437 4.557 4.120 0.000 0.000 0.299 373 V C -1.571 174.551 176.094 0.048 0.000 1.034 373 V CA -0.927 61.385 62.300 0.021 0.000 0.863 373 V CB 1.701 33.584 31.823 0.100 0.000 0.999 373 V HN 0.188 nan 8.190 nan 0.000 0.423 374 L N 5.447 126.637 121.223 -0.054 0.000 2.376 374 L HA 0.753 5.094 4.340 0.000 0.000 0.275 374 L C -1.768 175.080 176.870 -0.036 0.000 0.987 374 L CA -0.237 54.611 54.840 0.013 0.000 0.828 374 L CB 1.620 43.674 42.059 -0.007 0.000 1.249 374 L HN 0.625 nan 8.230 nan 0.000 0.409 375 W N 6.559 127.779 121.300 -0.133 0.000 2.376 375 W HA 0.614 5.274 4.660 -0.000 0.000 0.312 375 W C -0.164 176.271 176.519 -0.140 0.000 1.060 375 W CA -0.465 56.793 57.345 -0.146 0.000 1.221 375 W CB 1.135 30.447 29.460 -0.246 0.000 1.281 375 W HN 0.329 nan 8.180 nan 0.000 0.456 376 L N 3.732 125.018 121.223 0.104 0.000 3.288 376 L HA 0.421 4.761 4.340 0.000 0.000 0.293 376 L C 0.839 177.735 176.870 0.044 0.000 1.294 376 L CA -0.581 54.282 54.840 0.038 0.000 1.006 376 L CB -0.312 41.751 42.059 0.006 0.000 1.407 376 L HN 0.512 nan 8.230 nan 0.000 0.592 377 A N -0.066 122.806 122.820 0.086 0.000 2.477 377 A HA 0.176 4.496 4.320 0.000 0.000 0.246 377 A C 0.674 178.281 177.584 0.038 0.000 1.078 377 A CA 0.201 52.287 52.037 0.081 0.000 0.770 377 A CB 0.069 19.154 19.000 0.142 0.000 1.011 377 A HN 0.545 nan 8.150 nan 0.000 0.494 378 D N 0.347 120.766 120.400 0.032 0.000 2.735 378 D HA -0.170 4.470 4.640 0.000 0.000 0.235 378 D C 0.131 176.433 176.300 0.003 0.000 1.175 378 D CA 1.214 55.223 54.000 0.015 0.000 0.683 378 D CB -1.407 39.401 40.800 0.014 0.000 1.008 378 D HN 0.471 nan 8.370 nan 0.000 0.416 379 C N 1.252 120.554 119.300 0.004 0.000 2.863 379 C HA 0.200 4.660 4.460 0.000 0.000 0.284 379 C C 0.375 175.367 174.990 0.003 0.000 1.426 379 C CA -0.225 58.794 59.018 0.002 0.000 1.782 379 C CB -0.593 27.146 27.740 -0.000 0.000 2.554 379 C HN 0.565 nan 8.230 nan 0.000 0.566 380 D N 0.710 121.110 120.400 0.001 0.000 2.746 380 D HA -0.119 4.521 4.640 0.000 0.000 0.236 380 D C -0.156 176.141 176.300 -0.004 0.000 1.129 380 D CA 0.662 54.661 54.000 -0.001 0.000 0.691 380 D CB -1.127 39.675 40.800 0.003 0.000 1.077 380 D HN 0.329 nan 8.370 nan 0.000 0.432 381 V N 0.340 120.249 119.914 -0.009 0.000 2.509 381 V HA 0.607 4.727 4.120 0.000 0.000 0.284 381 V C 0.995 177.076 176.094 -0.022 0.000 1.047 381 V CA 0.056 62.347 62.300 -0.014 0.000 0.952 381 V CB 1.860 33.673 31.823 -0.016 0.000 0.988 381 V HN 0.389 nan 8.190 nan 0.000 0.469 382 S N 1.759 117.446 115.700 -0.022 0.000 2.841 382 S HA 0.409 4.879 4.470 0.000 0.000 0.318 382 S C 0.461 175.043 174.600 -0.030 0.000 1.127 382 S CA -0.661 57.522 58.200 -0.028 0.000 0.883 382 S CB 1.525 64.712 63.200 -0.021 0.000 1.271 382 S HN 0.535 nan 8.310 nan 0.000 0.567 383 D N 1.370 121.751 120.400 -0.032 0.000 2.265 383 D HA -0.029 4.611 4.640 0.000 0.000 0.208 383 D C 1.727 178.013 176.300 -0.023 0.000 0.977 383 D CA 1.269 55.251 54.000 -0.030 0.000 0.871 383 D CB -0.538 40.246 40.800 -0.027 0.000 0.925 383 D HN 0.471 nan 8.370 nan 0.000 0.485 384 S N -0.268 115.421 115.700 -0.019 0.000 2.469 384 S HA -0.057 4.413 4.470 0.000 0.000 0.238 384 S C 1.955 176.547 174.600 -0.015 0.000 0.998 384 S CA 0.502 58.693 58.200 -0.015 0.000 0.957 384 S CB 0.110 63.303 63.200 -0.012 0.000 0.764 384 S HN 0.139 nan 8.310 nan 0.000 0.514 385 S N -0.116 115.574 115.700 -0.017 0.000 2.503 385 S HA 0.068 4.538 4.470 0.000 0.000 0.215 385 S C 1.781 176.369 174.600 -0.019 0.000 1.003 385 S CA -0.125 58.065 58.200 -0.017 0.000 0.910 385 S CB -0.132 63.059 63.200 -0.017 0.000 0.790 385 S HN 0.608 nan 8.310 nan 0.000 0.514 386 C N 1.077 120.364 119.300 -0.022 0.000 2.422 386 C HA -0.020 4.440 4.460 0.000 0.000 0.279 386 C C 3.077 178.056 174.990 -0.019 0.000 1.305 386 C CA 0.921 59.925 59.018 -0.024 0.000 1.757 386 C CB -1.228 26.495 27.740 -0.028 0.000 1.962 386 C HN 0.648 nan 8.230 nan 0.000 0.499 387 S N 0.824 116.514 115.700 -0.016 0.000 2.356 387 S HA -0.147 4.324 4.470 0.000 0.000 0.223 387 S C 2.043 176.634 174.600 -0.015 0.000 1.032 387 S CA 2.133 60.325 58.200 -0.014 0.000 1.005 387 S CB -0.230 62.963 63.200 -0.012 0.000 0.867 387 S HN 0.671 nan 8.310 nan 0.000 0.449 388 S N 1.559 117.250 115.700 -0.015 0.000 2.368 388 S HA 0.059 4.529 4.470 0.000 0.000 0.224 388 S C 1.820 176.409 174.600 -0.018 0.000 1.029 388 S CA 1.239 59.430 58.200 -0.016 0.000 0.988 388 S CB -0.502 62.689 63.200 -0.014 0.000 0.838 388 S HN 0.448 nan 8.310 nan 0.000 0.462 389 L N 1.196 122.407 121.223 -0.020 0.000 2.046 389 L HA -0.138 4.202 4.340 0.000 0.000 0.208 389 L C 2.816 179.673 176.870 -0.023 0.000 1.077 389 L CA 1.193 56.020 54.840 -0.022 0.000 0.747 389 L CB -0.704 41.340 42.059 -0.024 0.000 0.896 389 L HN 0.331 nan 8.230 nan 0.000 0.432 390 A N -0.019 122.789 122.820 -0.020 0.000 1.908 390 A HA -0.202 4.118 4.320 0.000 0.000 0.218 390 A C 2.516 180.089 177.584 -0.017 0.000 1.181 390 A CA 1.861 53.888 52.037 -0.017 0.000 0.627 390 A CB -0.718 18.274 19.000 -0.014 0.000 0.818 390 A HN 0.417 nan 8.150 nan 0.000 0.445 391 A N -1.175 121.634 122.820 -0.018 0.000 1.873 391 A HA -0.066 4.255 4.320 0.000 0.000 0.215 391 A C 2.300 179.866 177.584 -0.031 0.000 1.186 391 A CA 2.226 54.251 52.037 -0.020 0.000 0.616 391 A CB -1.276 17.713 19.000 -0.018 0.000 0.823 391 A HN 0.419 nan 8.150 nan 0.000 0.442 392 T N 0.556 115.090 114.554 -0.034 0.000 2.788 392 T HA -0.068 4.282 4.350 0.000 0.000 0.268 392 T C 1.643 176.311 174.700 -0.054 0.000 1.044 392 T CA 1.321 63.393 62.100 -0.046 0.000 1.139 392 T CB -0.376 68.470 68.868 -0.037 0.000 0.867 392 T HN 0.353 nan 8.240 nan 0.000 0.454 393 L N 0.160 121.361 121.223 -0.037 0.000 2.456 393 L HA 0.055 4.395 4.340 0.000 0.000 0.224 393 L C 1.956 178.813 176.870 -0.022 0.000 1.148 393 L CA 0.768 55.590 54.840 -0.030 0.000 0.825 393 L CB -0.283 41.764 42.059 -0.021 0.000 0.937 393 L HN 0.296 nan 8.230 nan 0.000 0.450 394 L N -1.989 119.217 121.223 -0.027 0.000 2.500 394 L HA 0.158 4.498 4.340 0.000 0.000 0.219 394 L C 2.602 179.444 176.870 -0.047 0.000 1.057 394 L CA 0.492 55.330 54.840 -0.003 0.000 0.854 394 L CB -0.278 41.787 42.059 0.009 0.000 1.078 394 L HN 0.092 nan 8.230 nan 0.000 0.480 395 A N -0.002 122.753 122.820 -0.108 0.000 1.897 395 A HA -0.097 4.223 4.320 0.000 0.000 0.215 395 A C 1.246 178.555 177.584 -0.459 0.000 1.181 395 A CA 0.737 52.660 52.037 -0.191 0.000 0.620 395 A CB -0.439 18.494 19.000 -0.112 0.000 0.821 395 A HN 0.414 nan 8.150 nan 0.000 0.443 396 N N -0.531 117.967 118.700 -0.336 0.000 2.530 396 N HA 0.060 4.800 4.740 0.000 0.000 0.277 396 N C -0.383 174.890 175.510 -0.395 0.000 1.168 396 N CA -0.099 52.745 53.050 -0.343 0.000 0.979 396 N CB 0.354 38.756 38.487 -0.141 0.000 1.141 396 N HN 0.391 nan 8.380 nan 0.000 0.459 397 H N 0.448 119.517 119.070 -0.002 0.000 3.058 397 H HA 0.113 4.669 4.556 0.000 0.000 0.266 397 H C 1.118 176.445 175.328 -0.002 0.000 1.135 397 H CA 0.134 56.180 56.048 -0.003 0.000 1.174 397 H CB 0.400 30.160 29.762 -0.003 0.000 1.581 397 H HN 0.653 nan 8.280 nan 0.000 0.553 398 S N 0.003 115.746 115.700 0.071 0.000 2.483 398 S HA 0.051 4.521 4.470 0.000 0.000 0.221 398 S C 0.928 175.547 174.600 0.033 0.000 1.030 398 S CA -0.290 57.940 58.200 0.050 0.000 0.925 398 S CB -0.049 63.172 63.200 0.036 0.000 0.795 398 S HN 0.038 nan 8.310 nan 0.000 0.511 399 L N 2.815 124.048 121.223 0.016 0.000 2.455 399 L HA 0.325 4.665 4.340 0.000 0.000 0.272 399 L C 1.212 178.082 176.870 0.001 0.000 1.174 399 L CA 0.230 55.072 54.840 0.003 0.000 0.869 399 L CB 0.469 42.520 42.059 -0.013 0.000 1.130 399 L HN 0.097 nan 8.230 nan 0.000 0.474 400 R N 2.339 122.834 120.500 -0.009 0.000 2.435 400 R HA 0.279 4.620 4.340 0.000 0.000 0.221 400 R C -0.347 175.926 176.300 -0.046 0.000 0.885 400 R CA 0.070 56.161 56.100 -0.015 0.000 1.018 400 R CB 0.485 30.784 30.300 -0.002 0.000 1.259 400 R HN 0.680 nan 8.270 nan 0.000 0.597 401 E N 0.908 121.064 120.200 -0.073 0.000 2.263 401 E HA 0.356 4.706 4.350 0.000 0.000 0.268 401 E C -1.788 174.705 176.600 -0.179 0.000 0.884 401 E CA -0.657 55.660 56.400 -0.138 0.000 0.766 401 E CB 1.584 31.175 29.700 -0.182 0.000 1.196 401 E HN -0.134 nan 8.360 nan 0.000 0.416 402 L N 4.174 125.289 121.223 -0.181 0.000 2.406 402 L HA 0.497 4.837 4.340 0.000 0.000 0.272 402 L C -1.645 175.111 176.870 -0.189 0.000 0.980 402 L CA -0.447 54.292 54.840 -0.167 0.000 0.831 402 L CB 1.804 43.805 42.059 -0.096 0.000 1.253 402 L HN 0.448 nan 8.230 nan 0.000 0.406 403 D N 4.756 125.030 120.400 -0.210 0.000 2.349 403 D HA 0.372 5.012 4.640 0.000 0.000 0.232 403 D C -0.171 176.111 176.300 -0.030 0.000 1.071 403 D CA -0.020 53.897 54.000 -0.140 0.000 0.832 403 D CB 1.270 41.961 40.800 -0.181 0.000 1.086 403 D HN 0.675 nan 8.370 nan 0.000 0.504 404 L N 2.277 123.491 121.223 -0.016 0.000 3.168 404 L HA 0.211 4.551 4.340 0.000 0.000 0.277 404 L C 0.593 177.476 176.870 0.021 0.000 1.245 404 L CA -0.313 54.526 54.840 -0.003 0.000 1.035 404 L CB 0.470 42.512 42.059 -0.029 0.000 1.399 404 L HN 0.155 nan 8.230 nan 0.000 0.580 405 S N 0.323 116.066 115.700 0.071 0.000 2.576 405 S HA 0.031 4.502 4.470 0.000 0.000 0.272 405 S C 0.734 175.386 174.600 0.087 0.000 1.352 405 S CA -0.036 58.236 58.200 0.119 0.000 1.021 405 S CB 0.245 63.585 63.200 0.233 0.000 0.887 405 S HN 0.602 nan 8.310 nan 0.000 0.542 406 N N 0.441 119.193 118.700 0.086 0.000 2.725 406 N HA -0.168 4.572 4.740 0.000 0.000 0.249 406 N C -1.089 174.435 175.510 0.024 0.000 1.103 406 N CA 0.701 53.786 53.050 0.057 0.000 0.707 406 N CB -1.318 37.204 38.487 0.058 0.000 1.043 406 N HN 0.451 nan 8.380 nan 0.000 0.553 407 N N -0.339 118.363 118.700 0.003 0.000 2.292 407 N HA 0.368 5.108 4.740 0.000 0.000 0.303 407 N C -0.722 174.764 175.510 -0.041 0.000 1.140 407 N CA -0.502 52.538 53.050 -0.017 0.000 0.788 407 N CB 1.658 40.132 38.487 -0.022 0.000 1.361 407 N HN 0.173 nan 8.380 nan 0.000 0.489 408 C N 3.781 123.059 119.300 -0.036 0.000 2.400 408 C HA 0.402 4.862 4.460 0.000 0.000 0.457 408 C C 0.002 174.955 174.990 -0.062 0.000 1.020 408 C CA -0.523 58.468 59.018 -0.044 0.000 1.258 408 C CB -2.472 25.252 27.740 -0.027 0.000 1.532 408 C HN 0.379 nan 8.230 nan 0.000 0.537 409 L N 4.210 125.370 121.223 -0.104 0.000 2.343 409 L HA 0.683 5.023 4.340 0.000 0.000 0.275 409 L C 0.994 177.783 176.870 -0.135 0.000 1.056 409 L CA -0.087 54.682 54.840 -0.118 0.000 0.804 409 L CB 1.261 43.229 42.059 -0.152 0.000 1.203 409 L HN 0.646 nan 8.230 nan 0.000 0.440 410 G N 0.059 108.802 108.800 -0.095 0.000 3.175 410 G HA2 0.223 4.183 3.960 0.000 0.000 0.255 410 G HA3 0.223 4.183 3.960 0.000 0.000 0.255 410 G C 0.022 174.879 174.900 -0.071 0.000 1.352 410 G CA -0.257 44.798 45.100 -0.075 0.000 1.037 410 G HN 0.578 nan 8.290 nan 0.000 0.556 411 D N 0.085 120.463 120.400 -0.037 0.000 2.116 411 D HA -0.170 4.470 4.640 0.000 0.000 0.193 411 D C 2.692 178.980 176.300 -0.020 0.000 0.998 411 D CA 1.753 55.741 54.000 -0.021 0.000 0.836 411 D CB -0.492 40.308 40.800 -0.000 0.000 0.951 411 D HN 0.356 nan 8.370 nan 0.000 0.449 412 A N 1.024 123.833 122.820 -0.018 0.000 1.883 412 A HA -0.076 4.244 4.320 0.000 0.000 0.217 412 A C 2.435 180.006 177.584 -0.023 0.000 1.186 412 A CA 2.378 54.406 52.037 -0.016 0.000 0.624 412 A CB -1.174 17.817 19.000 -0.013 0.000 0.822 412 A HN 0.325 nan 8.150 nan 0.000 0.444 413 G N -0.156 108.623 108.800 -0.034 0.000 2.402 413 G HA2 -0.123 3.838 3.960 0.000 0.000 0.216 413 G HA3 -0.123 3.838 3.960 0.000 0.000 0.216 413 G C 1.415 176.289 174.900 -0.043 0.000 1.162 413 G CA 1.048 46.123 45.100 -0.040 0.000 0.777 413 G HN 0.355 nan 8.290 nan 0.000 0.539 414 I N 0.684 121.221 120.570 -0.054 0.000 2.179 414 I HA -0.105 4.065 4.170 0.000 0.000 0.242 414 I C 2.668 178.777 176.117 -0.014 0.000 1.088 414 I CA 0.810 62.084 61.300 -0.043 0.000 1.357 414 I CB -1.134 36.836 38.000 -0.049 0.000 1.051 414 I HN 0.160 nan 8.210 nan 0.000 0.409 415 L N 1.068 122.285 121.223 -0.010 0.000 2.043 415 L HA -0.249 4.091 4.340 0.000 0.000 0.212 415 L C 2.543 179.410 176.870 -0.005 0.000 1.075 415 L CA 1.888 56.727 54.840 -0.002 0.000 0.752 415 L CB -0.836 41.222 42.059 -0.002 0.000 0.891 415 L HN 0.264 nan 8.230 nan 0.000 0.432 416 Q N -0.846 118.947 119.800 -0.011 0.000 2.061 416 Q HA -0.200 4.140 4.340 0.000 0.000 0.204 416 Q C 2.286 178.280 176.000 -0.011 0.000 0.984 416 Q CA 2.066 57.863 55.803 -0.011 0.000 0.846 416 Q CB -0.275 28.454 28.738 -0.015 0.000 0.902 416 Q HN 0.561 nan 8.270 nan 0.000 0.421 417 L N -0.328 120.886 121.223 -0.014 0.000 2.056 417 L HA -0.158 4.182 4.340 0.000 0.000 0.207 417 L C 2.347 179.213 176.870 -0.006 0.000 1.078 417 L CA 0.656 55.488 54.840 -0.014 0.000 0.749 417 L CB -0.474 41.574 42.059 -0.019 0.000 0.901 417 L HN 0.103 nan 8.230 nan 0.000 0.433 418 V N 0.488 120.401 119.914 -0.001 0.000 2.343 418 V HA -0.288 3.833 4.120 0.000 0.000 0.247 418 V C 3.065 179.160 176.094 0.002 0.000 1.051 418 V CA 2.264 64.567 62.300 0.005 0.000 1.036 418 V CB -1.031 30.799 31.823 0.012 0.000 0.654 418 V HN 0.627 nan 8.190 nan 0.000 0.451 419 E N -0.634 119.566 120.200 0.000 0.000 2.160 419 E HA -0.275 4.075 4.350 0.000 0.000 0.195 419 E C 2.245 178.845 176.600 -0.000 0.000 0.991 419 E CA 1.955 58.355 56.400 0.000 0.000 0.810 419 E CB -0.601 29.098 29.700 -0.001 0.000 0.742 419 E HN 0.663 nan 8.360 nan 0.000 0.466 420 S N -0.570 115.129 115.700 -0.002 0.000 2.384 420 S HA -0.004 4.466 4.470 0.000 0.000 0.217 420 S C 2.433 177.033 174.600 0.001 0.000 1.041 420 S CA 1.130 59.329 58.200 -0.001 0.000 0.948 420 S CB 0.093 63.290 63.200 -0.005 0.000 0.872 420 S HN 0.798 nan 8.310 nan 0.000 0.512 421 V N 1.316 121.228 119.914 -0.002 0.000 2.688 421 V HA -0.075 4.045 4.120 0.000 0.000 0.256 421 V C 2.360 178.454 176.094 -0.001 0.000 1.084 421 V CA 1.877 64.175 62.300 -0.003 0.000 1.103 421 V CB -1.750 30.069 31.823 -0.007 0.000 0.688 421 V HN 0.451 nan 8.190 nan 0.000 0.480 422 R N 0.011 120.512 120.500 0.000 0.000 2.148 422 R HA 0.102 4.442 4.340 0.000 0.000 0.223 422 R C 1.549 177.850 176.300 0.001 0.000 1.088 422 R CA 1.113 57.213 56.100 0.000 0.000 0.985 422 R CB -1.015 29.285 30.300 0.001 0.000 0.880 422 R HN 0.805 nan 8.270 nan 0.000 0.451 423 Q N 0.187 119.989 119.800 0.004 0.000 2.392 423 Q HA 0.099 4.439 4.340 0.000 0.000 0.262 423 Q C -1.662 174.342 176.000 0.007 0.000 1.003 423 Q CA -1.646 54.160 55.803 0.006 0.000 0.888 423 Q CB 1.078 29.822 28.738 0.009 0.000 1.260 423 Q HN 0.144 nan 8.270 nan 0.000 0.435 424 P HA -0.113 nan 4.420 nan 0.000 0.222 424 P C 0.896 178.201 177.300 0.008 0.000 1.147 424 P CA 1.134 64.236 63.100 0.003 0.000 0.790 424 P CB 0.160 31.859 31.700 -0.001 0.000 0.780 425 G N -1.456 107.354 108.800 0.017 0.000 2.650 425 G HA2 -0.113 3.848 3.960 0.000 0.000 0.214 425 G HA3 -0.113 3.848 3.960 0.000 0.000 0.214 425 G C 0.136 175.073 174.900 0.062 0.000 1.136 425 G CA -0.026 45.096 45.100 0.036 0.000 0.789 425 G HN 0.373 nan 8.290 nan 0.000 0.536 426 C N 1.209 120.533 119.300 0.041 0.000 2.325 426 C HA 0.569 5.029 4.460 0.000 0.000 0.347 426 C C 1.500 176.511 174.990 0.035 0.000 1.263 426 C CA -0.823 58.219 59.018 0.041 0.000 1.806 426 C CB -0.624 27.128 27.740 0.019 0.000 2.405 426 C HN 0.341 nan 8.230 nan 0.000 0.537 427 L N 5.364 126.617 121.223 0.051 0.000 2.628 427 L HA 0.204 4.544 4.340 0.000 0.000 0.229 427 L C 0.724 177.605 176.870 0.018 0.000 1.137 427 L CA -0.246 54.615 54.840 0.036 0.000 0.909 427 L CB -0.490 41.603 42.059 0.057 0.000 1.137 427 L HN 0.605 nan 8.230 nan 0.000 0.470 428 L N 0.424 121.652 121.223 0.008 0.000 2.485 428 L HA -0.044 4.296 4.340 0.000 0.000 0.275 428 L C 1.130 177.991 176.870 -0.015 0.000 1.207 428 L CA 1.058 55.893 54.840 -0.009 0.000 0.855 428 L CB 0.491 42.538 42.059 -0.019 0.000 1.114 428 L HN 0.134 nan 8.230 nan 0.000 0.485 429 E N 2.179 122.366 120.200 -0.023 0.000 2.434 429 E HA 0.153 4.504 4.350 0.000 0.000 0.207 429 E C -0.403 176.173 176.600 -0.039 0.000 0.929 429 E CA 0.120 56.505 56.400 -0.025 0.000 1.001 429 E CB 0.559 30.249 29.700 -0.017 0.000 1.016 429 E HN 0.634 nan 8.360 nan 0.000 0.502 430 Q N 1.057 120.824 119.800 -0.055 0.000 2.271 430 Q HA 0.404 4.744 4.340 0.000 0.000 0.268 430 Q C -1.762 174.183 176.000 -0.093 0.000 1.021 430 Q CA -0.640 55.118 55.803 -0.077 0.000 0.802 430 Q CB 2.672 31.355 28.738 -0.092 0.000 1.282 430 Q HN -0.039 nan 8.270 nan 0.000 0.431 431 L N 3.403 124.574 121.223 -0.087 0.000 2.342 431 L HA 0.464 4.804 4.340 0.000 0.000 0.276 431 L C -1.446 175.363 176.870 -0.102 0.000 0.997 431 L CA -0.597 54.194 54.840 -0.082 0.000 0.838 431 L CB 1.677 43.707 42.059 -0.048 0.000 1.224 431 L HN 0.386 nan 8.230 nan 0.000 0.416 432 V N 6.898 126.737 119.914 -0.124 0.000 2.383 432 V HA 0.358 4.478 4.120 0.000 0.000 0.275 432 V C 0.404 176.452 176.094 -0.078 0.000 1.036 432 V CA -0.251 61.959 62.300 -0.150 0.000 0.889 432 V CB 1.133 32.873 31.823 -0.138 0.000 0.985 432 V HN 0.659 nan 8.190 nan 0.000 0.459 433 L N 5.178 126.353 121.223 -0.081 0.000 3.059 433 L HA 0.405 4.746 4.340 0.000 0.000 0.298 433 L C -0.490 176.473 176.870 0.155 0.000 1.304 433 L CA -0.322 54.549 54.840 0.052 0.000 0.855 433 L CB 0.016 42.157 42.059 0.136 0.000 1.266 433 L HN 0.492 nan 8.230 nan 0.000 0.572 434 Y N 0.429 120.811 120.300 0.137 0.000 2.426 434 Y HA 0.010 4.560 4.550 0.000 0.000 0.344 434 Y C 1.100 177.083 175.900 0.138 0.000 1.256 434 Y CA -0.066 58.122 58.100 0.147 0.000 1.451 434 Y CB 0.343 38.865 38.460 0.104 0.000 1.342 434 Y HN 0.307 nan 8.280 nan 0.000 0.600 435 D N 0.960 121.571 120.400 0.352 0.000 2.686 435 D HA -0.222 4.418 4.640 0.000 0.000 0.235 435 D C -0.849 175.546 176.300 0.158 0.000 1.160 435 D CA 0.867 55.002 54.000 0.224 0.000 0.645 435 D CB -1.254 39.639 40.800 0.154 0.000 1.039 435 D HN 0.336 nan 8.370 nan 0.000 0.423 436 I N -0.025 120.635 120.570 0.150 0.000 2.646 436 I HA 0.254 4.424 4.170 0.000 0.000 0.299 436 I C 0.154 176.208 176.117 -0.105 0.000 1.036 436 I CA -1.324 59.936 61.300 -0.066 0.000 1.074 436 I CB 1.751 39.562 38.000 -0.315 0.000 1.258 436 I HN -0.125 nan 8.210 nan 0.000 0.430 437 Y N 4.425 124.611 120.300 -0.189 0.000 2.402 437 Y HA 0.219 4.769 4.550 -0.000 0.000 0.333 437 Y C -1.140 174.625 175.900 -0.224 0.000 1.076 437 Y CA -0.422 57.628 58.100 -0.084 0.000 1.299 437 Y CB 0.507 38.945 38.460 -0.036 0.000 1.197 437 Y HN 0.358 nan 8.280 nan 0.000 0.517 438 W N 4.980 125.859 121.300 -0.701 0.000 2.551 438 W HA 0.556 5.216 4.660 0.000 0.000 0.330 438 W C -0.300 175.822 176.519 -0.662 0.000 1.063 438 W CA -0.631 56.404 57.345 -0.518 0.000 1.222 438 W CB 1.447 30.733 29.460 -0.290 0.000 1.349 438 W HN 0.622 nan 8.180 nan 0.000 0.536 439 S N -0.112 115.528 115.700 -0.101 0.000 2.690 439 S HA 0.590 5.060 4.470 0.000 0.000 0.291 439 S C 0.970 175.592 174.600 0.036 0.000 1.138 439 S CA -0.034 58.138 58.200 -0.047 0.000 1.013 439 S CB 1.466 64.676 63.200 0.016 0.000 1.053 439 S HN 0.641 nan 8.310 nan 0.000 0.539 440 E N 0.611 120.826 120.200 0.026 0.000 2.085 440 E HA -0.065 4.285 4.350 0.000 0.000 0.194 440 E C 2.234 178.858 176.600 0.040 0.000 0.994 440 E CA 2.159 58.574 56.400 0.025 0.000 0.801 440 E CB -2.022 27.688 29.700 0.017 0.000 0.743 440 E HN 1.000 nan 8.360 nan 0.000 0.453 441 E N 0.338 120.563 120.200 0.042 0.000 2.038 441 E HA -0.178 4.172 4.350 0.000 0.000 0.195 441 E C 2.188 178.829 176.600 0.070 0.000 1.000 441 E CA 1.718 58.144 56.400 0.043 0.000 0.803 441 E CB -0.694 nan 29.700 nan 0.000 0.750 441 E HN 0.690 nan 8.360 nan 0.000 0.448 442 M N -0.243 119.418 119.600 0.101 0.000 2.073 442 M HA -0.182 4.298 4.480 0.000 0.000 0.258 442 M C 2.582 179.057 176.300 0.291 0.000 1.070 442 M CA 2.414 57.820 55.300 0.178 0.000 1.103 442 M CB -0.280 32.419 32.600 0.165 0.000 1.321 442 M HN 0.561 nan 8.290 nan 0.000 0.405 443 E N 0.716 121.084 120.200 0.280 0.000 2.077 443 E HA -0.229 4.121 4.350 0.000 0.000 0.193 443 E C 1.763 178.361 176.600 -0.002 0.000 0.989 443 E CA 1.877 58.313 56.400 0.060 0.000 0.800 443 E CB -0.143 29.506 29.700 -0.086 0.000 0.746 443 E HN 0.617 nan 8.360 nan 0.000 0.452 444 D N -0.096 120.314 120.400 0.018 0.000 2.097 444 D HA -0.186 4.454 4.640 0.000 0.000 0.195 444 D C 2.225 178.531 176.300 0.010 0.000 0.989 444 D CA 2.501 56.500 54.000 -0.000 0.000 0.827 444 D CB -1.049 39.754 40.800 0.004 0.000 0.966 444 D HN 0.354 nan 8.370 nan 0.000 0.456 445 R N 0.003 120.525 120.500 0.035 0.000 2.091 445 R HA 0.177 4.517 4.340 0.000 0.000 0.238 445 R C 2.522 178.844 176.300 0.035 0.000 1.136 445 R CA 1.504 57.625 56.100 0.034 0.000 0.959 445 R CB -1.364 28.963 30.300 0.044 0.000 0.856 445 R HN 0.594 nan 8.270 nan 0.000 0.437 446 L N 0.091 121.350 121.223 0.060 0.000 2.240 446 L HA -0.066 4.274 4.340 0.000 0.000 0.211 446 L C 3.504 180.369 176.870 -0.009 0.000 1.106 446 L CA 1.219 56.089 54.840 0.050 0.000 0.793 446 L CB -0.466 41.671 42.059 0.131 0.000 0.927 446 L HN 0.644 nan 8.230 nan 0.000 0.446 447 Q N 0.224 120.003 119.800 -0.035 0.000 2.050 447 Q HA -0.165 4.175 4.340 0.000 0.000 0.202 447 Q C 2.410 178.388 176.000 -0.036 0.000 0.980 447 Q CA 1.833 57.601 55.803 -0.058 0.000 0.840 447 Q CB -1.024 27.672 28.738 -0.070 0.000 0.898 447 Q HN 0.575 nan 8.270 nan 0.000 0.424 448 A N 0.351 123.158 122.820 -0.022 0.000 1.902 448 A HA 0.029 4.349 4.320 0.000 0.000 0.217 448 A C 2.376 179.952 177.584 -0.013 0.000 1.181 448 A CA 1.777 53.804 52.037 -0.016 0.000 0.623 448 A CB -0.571 18.424 19.000 -0.009 0.000 0.818 448 A HN 0.829 nan 8.150 nan 0.000 0.443 449 L N 0.211 121.430 121.223 -0.008 0.000 2.021 449 L HA -0.186 4.154 4.340 0.000 0.000 0.215 449 L C 2.598 179.460 176.870 -0.013 0.000 1.074 449 L CA 3.217 58.053 54.840 -0.006 0.000 0.760 449 L CB -1.153 40.907 42.059 0.001 0.000 0.889 449 L HN 0.546 nan 8.230 nan 0.000 0.433 450 E N -0.217 119.970 120.200 -0.021 0.000 2.118 450 E HA -0.242 4.108 4.350 0.000 0.000 0.195 450 E C 2.308 178.894 176.600 -0.023 0.000 0.992 450 E CA 2.413 58.797 56.400 -0.027 0.000 0.804 450 E CB -1.168 28.509 29.700 -0.039 0.000 0.741 450 E HN 0.705 nan 8.360 nan 0.000 0.458 451 K N -0.227 120.160 120.400 -0.022 0.000 2.243 451 K HA 0.184 4.504 4.320 0.000 0.000 0.201 451 K C 2.133 178.725 176.600 -0.014 0.000 1.051 451 K CA 1.529 57.805 56.287 -0.019 0.000 0.970 451 K CB -1.185 31.304 32.500 -0.019 0.000 0.755 451 K HN 0.681 nan 8.250 nan 0.000 0.465 452 D N 0.275 120.668 120.400 -0.012 0.000 2.249 452 D HA 0.061 4.701 4.640 0.000 0.000 0.205 452 D C 1.179 177.474 176.300 -0.009 0.000 0.962 452 D CA 1.024 55.018 54.000 -0.009 0.000 0.860 452 D CB 0.090 40.886 40.800 -0.007 0.000 0.955 452 D HN 0.443 nan 8.370 nan 0.000 0.505 453 K N 0.403 120.797 120.400 -0.010 0.000 2.592 453 K HA 0.239 4.559 4.320 0.000 0.000 0.212 453 K C -2.116 174.476 176.600 -0.012 0.000 1.013 453 K CA -1.599 54.682 56.287 -0.010 0.000 1.034 453 K CB 2.420 34.914 32.500 -0.008 0.000 1.292 453 K HN -0.077 nan 8.250 nan 0.000 0.521 454 P HA -0.204 nan 4.420 nan 0.000 0.217 454 P C 0.840 178.132 177.300 -0.013 0.000 1.148 454 P CA 1.318 64.410 63.100 -0.013 0.000 0.828 454 P CB 0.254 31.948 31.700 -0.011 0.000 0.783 455 S N -1.567 114.127 115.700 -0.011 0.000 2.607 455 S HA 0.044 4.514 4.470 0.000 0.000 0.224 455 S C 0.772 175.363 174.600 -0.014 0.000 0.969 455 S CA -0.255 57.939 58.200 -0.011 0.000 0.927 455 S CB -0.935 62.261 63.200 -0.008 0.000 0.772 455 S HN 0.068 nan 8.310 nan 0.000 0.533 456 L N 2.010 123.223 121.223 -0.017 0.000 2.307 456 L HA 0.600 4.941 4.340 0.000 0.000 0.284 456 L C -0.590 176.262 176.870 -0.029 0.000 1.023 456 L CA -0.758 54.069 54.840 -0.022 0.000 0.810 456 L CB 1.526 43.574 42.059 -0.019 0.000 1.231 456 L HN 0.011 nan 8.230 nan 0.000 0.423 457 R N 3.904 124.381 120.500 -0.037 0.000 2.387 457 R HA 0.681 5.021 4.340 0.000 0.000 0.314 457 R C -1.327 174.937 176.300 -0.060 0.000 0.958 457 R CA -0.803 55.269 56.100 -0.047 0.000 0.846 457 R CB 1.975 32.247 30.300 -0.048 0.000 1.147 457 R HN 0.463 nan 8.270 nan 0.000 0.447 458 V N 5.394 125.269 119.914 -0.065 0.000 2.328 458 V HA 0.293 4.413 4.120 0.000 0.000 0.278 458 V C 0.063 176.088 176.094 -0.115 0.000 1.021 458 V CA -0.787 61.473 62.300 -0.067 0.000 0.838 458 V CB 1.255 33.057 31.823 -0.035 0.000 0.999 458 V HN 0.596 nan 8.190 nan 0.000 0.447 459 I N 3.863 124.330 120.570 -0.171 0.000 2.371 459 I HA 0.369 4.539 4.170 0.000 0.000 0.290 459 I C 0.855 176.750 176.117 -0.370 0.000 1.028 459 I CA 0.683 61.793 61.300 -0.317 0.000 1.345 459 I CB 0.516 38.233 38.000 -0.471 0.000 1.407 459 I HN 0.915 nan 8.210 nan 0.000 0.501 460 S N 0.000 115.504 115.700 -0.327 0.000 2.498 460 S HA 0.000 4.470 4.470 0.000 0.000 0.327 460 S CA 0.000 58.077 58.200 -0.204 0.000 1.107 460 S CB 0.000 63.141 63.200 -0.099 0.000 0.593 460 S HN 0.000 nan 8.310 nan 0.000 0.517