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 3hd8_1_C DATA FIRST_RESID 1 DATA SEQUENCE EGLPVLAPVT KDTATSLYTI PFHDGASLVL DVAGLLVWST cEGXXXXXEI DATA SEQUENCE ACSSPTcLLA NAYPAPGcPA XXXXXXXXXK PcTAYPSNPV TGAcAAGSLF DATA SEQUENCE HTRFAANTTD GNKPVSEVNV RVLAAcAPSK LLASLPRGST GVAGLAGSGL DATA SEQUENCE ALPSQVASAQ KVPNKFLLcL PTGGPGVAIF GGGPLPWPQF TQSMDYTPLV DATA SEQUENCE AKGGSPAHYI SARSIKVENT RVPISERALA TGGVMLSTRL PYVLLRRDVY DATA SEQUENCE RPLVDAFTKA LAAQXXXGAP VARAVKPVAP FELcYDTKTL GNNPGGYWVP DATA SEQUENCE NVLLELDGGS DWAMTGKNSM VDVKPGTAcV AFVEMKGVDA GDGSAPAVIL DATA SEQUENCE GGAQMEDFVL DFDMEKKRLG FLRLPHFTGc SSFNF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.608 176.600 0.013 0.000 1.382 1 E CA 0.000 56.405 56.400 0.009 0.000 0.976 1 E CB 0.000 29.707 29.700 0.012 0.000 0.812 2 G N 1.505 110.317 108.800 0.019 0.000 3.161 2 G HA2 0.490 4.450 3.960 0.000 0.000 0.293 2 G HA3 0.490 4.450 3.960 0.000 0.000 0.293 2 G C -0.589 174.331 174.900 0.034 0.000 0.893 2 G CA 0.066 45.183 45.100 0.028 0.000 1.756 2 G HN 0.080 nan 8.290 nan 0.000 0.549 3 L N 2.098 123.341 121.223 0.033 0.000 2.334 3 L HA 0.421 4.762 4.340 0.000 0.000 0.276 3 L C -2.015 174.889 176.870 0.056 0.000 1.014 3 L CA -2.242 52.621 54.840 0.038 0.000 0.815 3 L CB 2.765 44.839 42.059 0.026 0.000 1.268 3 L HN 0.173 nan 8.230 nan 0.000 0.428 4 P HA 0.006 nan 4.420 nan 0.000 0.269 4 P C -1.157 176.200 177.300 0.095 0.000 1.211 4 P CA -0.121 63.037 63.100 0.097 0.000 0.781 4 P CB 0.492 32.243 31.700 0.085 0.000 0.877 5 V N 2.587 122.596 119.914 0.158 0.000 2.495 5 V HA 0.423 4.543 4.120 0.000 0.000 0.298 5 V C -0.108 176.098 176.094 0.187 0.000 1.031 5 V CA -0.595 61.806 62.300 0.169 0.000 0.871 5 V CB 1.489 33.460 31.823 0.247 0.000 0.988 5 V HN 0.343 nan 8.190 nan 0.000 0.432 6 L N 4.369 125.642 121.223 0.083 0.000 2.329 6 L HA 0.981 5.321 4.340 0.000 0.000 0.279 6 L C -0.096 176.811 176.870 0.061 0.000 1.014 6 L CA -0.007 54.843 54.840 0.016 0.000 0.814 6 L CB 1.544 43.581 42.059 -0.037 0.000 1.257 6 L HN 0.825 nan 8.230 nan 0.000 0.424 7 A N 5.841 128.716 122.820 0.092 0.000 2.475 7 A HA 0.944 5.264 4.320 0.000 0.000 0.301 7 A C -2.928 174.681 177.584 0.042 0.000 1.059 7 A CA -1.437 50.684 52.037 0.140 0.000 0.710 7 A CB 1.576 20.797 19.000 0.367 0.000 1.288 7 A HN 0.525 nan 8.150 nan 0.000 0.408 8 P HA 0.465 nan 4.420 nan 0.000 0.279 8 P C -0.815 176.526 177.300 0.067 0.000 1.252 8 P CA -0.255 62.864 63.100 0.031 0.000 0.811 8 P CB 1.425 33.160 31.700 0.059 0.000 1.035 9 V N 1.909 121.866 119.914 0.072 0.000 2.495 9 V HA 0.342 4.462 4.120 0.000 0.000 0.298 9 V C 0.261 176.434 176.094 0.130 0.000 1.031 9 V CA -0.213 62.151 62.300 0.107 0.000 0.871 9 V CB 1.805 33.691 31.823 0.106 0.000 0.988 9 V HN 0.546 nan 8.190 nan 0.000 0.432 10 T N 4.932 119.562 114.554 0.126 0.000 2.771 10 T HA 0.322 4.672 4.350 0.000 0.000 0.281 10 T C -0.190 174.565 174.700 0.091 0.000 0.982 10 T CA -0.506 61.655 62.100 0.103 0.000 0.978 10 T CB 1.073 69.978 68.868 0.061 0.000 0.930 10 T HN 0.597 nan 8.240 nan 0.000 0.447 11 K N 2.913 123.355 120.400 0.071 0.000 2.312 11 K HA 0.135 4.455 4.320 0.000 0.000 0.287 11 K C -0.494 176.031 176.600 -0.125 0.000 1.062 11 K CA -0.456 55.749 56.287 -0.135 0.000 0.934 11 K CB 0.485 32.933 32.500 -0.087 0.000 1.027 11 K HN 0.548 nan 8.250 nan 0.000 0.478 12 D N 2.981 123.269 120.400 -0.186 0.000 2.312 12 D HA 0.042 4.682 4.640 0.000 0.000 0.252 12 D C 0.650 176.887 176.300 -0.106 0.000 1.150 12 D CA 0.081 54.014 54.000 -0.111 0.000 0.870 12 D CB 1.321 42.060 40.800 -0.102 0.000 1.153 12 D HN 0.483 nan 8.370 nan 0.000 0.457 13 T N 2.720 117.242 114.554 -0.053 0.000 2.668 13 T HA -0.126 4.224 4.350 0.000 0.000 0.262 13 T C 1.835 176.521 174.700 -0.024 0.000 1.045 13 T CA 1.428 63.509 62.100 -0.031 0.000 1.152 13 T CB -0.308 68.556 68.868 -0.007 0.000 0.864 13 T HN 0.564 nan 8.240 nan 0.000 0.419 14 A N 1.379 124.189 122.820 -0.017 0.000 2.019 14 A HA -0.085 4.235 4.320 0.000 0.000 0.219 14 A C 2.463 180.041 177.584 -0.010 0.000 1.164 14 A CA 2.087 54.121 52.037 -0.005 0.000 0.644 14 A CB -0.815 18.184 19.000 -0.001 0.000 0.805 14 A HN 0.647 nan 8.150 nan 0.000 0.449 15 T N -5.984 108.549 114.554 -0.035 0.000 2.990 15 T HA 0.215 4.566 4.350 0.000 0.000 0.250 15 T C 0.864 175.524 174.700 -0.066 0.000 1.041 15 T CA 0.990 63.066 62.100 -0.040 0.000 1.010 15 T CB 0.006 68.843 68.868 -0.052 0.000 1.003 15 T HN 0.614 nan 8.240 nan 0.000 0.499 16 S N 0.505 116.136 115.700 -0.114 0.000 3.270 16 S HA -0.125 4.345 4.470 0.000 0.000 0.293 16 S C 0.160 174.535 174.600 -0.375 0.000 1.278 16 S CA 0.531 58.614 58.200 -0.195 0.000 1.038 16 S CB -2.194 60.967 63.200 -0.064 0.000 1.218 16 S HN 0.663 nan 8.310 nan 0.000 0.659 17 L N 0.154 121.188 121.223 -0.314 0.000 2.416 17 L HA 0.602 4.942 4.340 0.000 0.000 0.262 17 L C 0.069 176.654 176.870 -0.475 0.000 1.093 17 L CA -0.651 54.021 54.840 -0.280 0.000 0.801 17 L CB 0.457 42.450 42.059 -0.109 0.000 1.191 17 L HN 0.161 nan 8.230 nan 0.000 0.459 18 Y N -0.646 119.640 120.300 -0.024 0.000 2.393 18 Y HA 0.557 5.107 4.550 0.000 0.000 0.341 18 Y C 0.389 176.269 175.900 -0.034 0.000 0.988 18 Y CA -0.786 57.306 58.100 -0.013 0.000 1.078 18 Y CB 2.162 40.623 38.460 0.001 0.000 1.203 18 Y HN 0.549 nan 8.280 nan 0.000 0.453 19 T N 0.978 115.594 114.554 0.104 0.000 2.887 19 T HA 0.889 5.239 4.350 0.000 0.000 0.292 19 T C -0.874 173.865 174.700 0.065 0.000 1.087 19 T CA -0.842 61.280 62.100 0.036 0.000 1.009 19 T CB 1.657 70.519 68.868 -0.009 0.000 1.203 19 T HN 0.616 nan 8.240 nan 0.000 0.518 20 I N -2.227 118.371 120.570 0.047 0.000 2.828 20 I HA 0.734 4.904 4.170 0.000 0.000 0.302 20 I C -3.224 172.971 176.117 0.131 0.000 1.101 20 I CA -3.303 58.063 61.300 0.111 0.000 1.031 20 I CB 2.110 40.205 38.000 0.158 0.000 1.231 20 I HN 0.337 nan 8.210 nan 0.000 0.427 21 P HA 0.144 nan 4.420 nan 0.000 0.271 21 P C -0.762 176.753 177.300 0.359 0.000 1.218 21 P CA -0.011 63.206 63.100 0.195 0.000 0.780 21 P CB 0.605 32.392 31.700 0.145 0.000 0.901 22 F N 1.864 121.865 119.950 0.084 0.000 2.444 22 F HA 0.241 4.768 4.527 0.000 0.000 0.263 22 F C 0.467 176.349 175.800 0.137 0.000 0.912 22 F CA 1.003 59.071 58.000 0.112 0.000 1.122 22 F CB 0.119 39.038 39.000 -0.136 0.000 1.246 22 F HN 0.439 nan 8.300 nan 0.000 0.752 23 H N -1.757 117.225 119.070 -0.146 0.000 3.042 23 H HA 0.243 4.799 4.556 0.000 0.000 0.346 23 H C -0.923 174.362 175.328 -0.072 0.000 1.294 23 H CA -0.306 55.616 56.048 -0.209 0.000 1.141 23 H CB 1.148 30.666 29.762 -0.407 0.000 1.872 23 H HN 0.210 nan 8.280 nan 0.000 0.541 24 D N 0.823 121.296 120.400 0.122 0.000 2.837 24 D HA -0.155 4.485 4.640 0.000 0.000 0.230 24 D C 1.083 177.421 176.300 0.063 0.000 1.152 24 D CA 1.654 55.713 54.000 0.099 0.000 0.736 24 D CB -1.418 39.481 40.800 0.166 0.000 1.084 24 D HN 1.166 nan 8.370 nan 0.000 0.429 25 G N -0.563 108.268 108.800 0.050 0.000 2.321 25 G HA2 -0.091 3.870 3.960 0.000 0.000 0.287 25 G HA3 -0.091 3.870 3.960 0.000 0.000 0.287 25 G C 0.316 175.243 174.900 0.044 0.000 1.018 25 G CA 1.009 46.136 45.100 0.045 0.000 0.855 25 G HN 1.013 nan 8.290 nan 0.000 0.507 26 A N -0.628 122.216 122.820 0.039 0.000 2.355 26 A HA 0.958 5.278 4.320 0.000 0.000 0.324 26 A C 0.304 177.931 177.584 0.072 0.000 1.117 26 A CA 0.492 52.553 52.037 0.039 0.000 0.785 26 A CB 1.639 20.651 19.000 0.020 0.000 1.254 26 A HN 1.882 nan 8.150 nan 0.000 0.453 27 S N 1.341 117.069 115.700 0.047 0.000 2.600 27 S HA 0.852 5.322 4.470 0.000 0.000 0.300 27 S C -0.722 173.826 174.600 -0.087 0.000 1.087 27 S CA -0.661 57.557 58.200 0.030 0.000 0.965 27 S CB 0.966 64.175 63.200 0.015 0.000 1.089 27 S HN 0.640 nan 8.310 nan 0.000 0.496 28 L N 1.479 122.598 121.223 -0.174 0.000 2.333 28 L HA 0.610 4.950 4.340 0.000 0.000 0.269 28 L C -0.653 176.062 176.870 -0.259 0.000 1.010 28 L CA -1.384 53.246 54.840 -0.350 0.000 0.818 28 L CB 1.919 43.618 42.059 -0.601 0.000 1.306 28 L HN 0.489 nan 8.230 nan 0.000 0.430 29 V N 3.118 122.850 119.914 -0.303 0.000 2.488 29 V HA 0.146 4.266 4.120 0.000 0.000 0.277 29 V C 0.422 176.394 176.094 -0.204 0.000 1.046 29 V CA -0.395 61.783 62.300 -0.204 0.000 0.986 29 V CB 1.129 32.831 31.823 -0.201 0.000 0.989 29 V HN 0.442 nan 8.190 nan 0.000 0.475 30 L N 4.775 125.940 121.223 -0.097 0.000 2.433 30 L HA 0.257 4.597 4.340 0.000 0.000 0.275 30 L C -0.032 176.794 176.870 -0.074 0.000 1.128 30 L CA 0.214 55.001 54.840 -0.088 0.000 0.875 30 L CB 0.231 42.286 42.059 -0.006 0.000 1.171 30 L HN 0.654 nan 8.230 nan 0.000 0.463 31 D N 2.660 122.984 120.400 -0.128 0.000 2.454 31 D HA 0.197 4.837 4.640 0.000 0.000 0.247 31 D C 0.786 177.018 176.300 -0.112 0.000 1.129 31 D CA -0.581 53.361 54.000 -0.096 0.000 0.877 31 D CB 1.689 42.432 40.800 -0.096 0.000 1.082 31 D HN 0.246 nan 8.370 nan 0.000 0.537 32 V N 2.516 122.384 119.914 -0.077 0.000 2.407 32 V HA -0.070 4.050 4.120 0.000 0.000 0.248 32 V C 1.858 177.911 176.094 -0.067 0.000 1.055 32 V CA 1.767 64.032 62.300 -0.059 0.000 1.049 32 V CB -0.961 30.872 31.823 0.016 0.000 0.662 32 V HN 0.457 nan 8.190 nan 0.000 0.455 33 A N 0.966 123.732 122.820 -0.089 0.000 2.208 33 A HA 0.451 4.771 4.320 0.000 0.000 0.209 33 A C 1.535 179.054 177.584 -0.107 0.000 1.161 33 A CA 0.665 52.621 52.037 -0.135 0.000 0.782 33 A CB -1.069 17.863 19.000 -0.113 0.000 0.816 33 A HN 0.800 nan 8.150 nan 0.000 0.477 34 G N -0.860 107.889 108.800 -0.085 0.000 2.483 34 G HA2 0.417 4.377 3.960 0.000 0.000 0.248 34 G HA3 0.417 4.377 3.960 0.000 0.000 0.248 34 G C 0.546 175.409 174.900 -0.060 0.000 1.248 34 G CA -0.474 44.598 45.100 -0.047 0.000 0.838 34 G HN 0.240 nan 8.290 nan 0.000 0.566 35 L N 0.900 122.121 121.223 -0.004 0.000 2.513 35 L HA 0.319 4.659 4.340 0.000 0.000 0.222 35 L C 0.766 177.646 176.870 0.017 0.000 1.096 35 L CA 0.253 55.098 54.840 0.009 0.000 0.857 35 L CB -0.211 41.890 42.059 0.071 0.000 1.026 35 L HN 0.245 nan 8.230 nan 0.000 0.469 36 L N -0.045 121.204 121.223 0.044 0.000 2.330 36 L HA 0.435 4.775 4.340 0.000 0.000 0.271 36 L C -0.500 176.358 176.870 -0.021 0.000 1.013 36 L CA -0.789 54.085 54.840 0.057 0.000 0.816 36 L CB 2.830 45.001 42.059 0.187 0.000 1.287 36 L HN -0.305 nan 8.230 nan 0.000 0.435 37 V N 2.118 121.987 119.914 -0.076 0.000 2.432 37 V HA 0.260 4.380 4.120 0.000 0.000 0.271 37 V C -0.496 175.600 176.094 0.003 0.000 1.046 37 V CA -0.233 61.963 62.300 -0.173 0.000 0.945 37 V CB 0.546 32.218 31.823 -0.252 0.000 0.992 37 V HN 0.683 nan 8.190 nan 0.000 0.471 38 W N 4.288 125.486 121.300 -0.169 0.000 3.033 38 W HA 0.853 5.513 4.660 0.000 0.000 0.336 38 W C -0.659 175.813 176.519 -0.079 0.000 1.173 38 W CA -0.779 56.522 57.345 -0.074 0.000 1.185 38 W CB 1.635 31.080 29.460 -0.026 0.000 1.425 38 W HN 0.611 nan 8.180 nan 0.000 0.536 39 S N 0.316 116.301 115.700 0.475 0.000 2.615 39 S HA 0.551 5.021 4.470 0.000 0.000 0.269 39 S C -0.176 174.713 174.600 0.481 0.000 1.161 39 S CA -0.414 58.018 58.200 0.386 0.000 0.817 39 S CB 1.155 64.500 63.200 0.241 0.000 1.131 39 S HN 0.779 nan 8.310 nan 0.000 0.467 40 T N -0.537 114.221 114.554 0.339 0.000 2.734 40 T HA 0.558 4.908 4.350 0.000 0.000 0.314 40 T C 0.582 175.379 174.700 0.161 0.000 1.057 40 T CA -0.154 62.069 62.100 0.204 0.000 1.047 40 T CB -0.759 68.197 68.868 0.146 0.000 0.991 40 T HN 1.266 nan 8.240 nan 0.000 0.540 41 c N 0.593 119.182 118.600 -0.019 0.000 3.285 41 c HA 0.731 5.301 4.570 0.000 0.000 0.320 41 c C -0.184 173.848 174.090 -0.098 0.000 1.411 41 c CA -1.312 54.926 56.329 -0.152 0.000 1.429 41 c CB 1.042 43.172 42.510 -0.632 0.000 1.812 41 c HN 1.014 nan 8.230 nan 0.000 0.454 42 E N 0.619 120.764 120.200 -0.091 0.000 2.369 42 E HA 0.495 4.845 4.350 0.000 0.000 0.255 42 E C 0.601 177.138 176.600 -0.106 0.000 1.172 42 E CA -0.170 56.191 56.400 -0.065 0.000 0.932 42 E CB 0.249 29.932 29.700 -0.028 0.000 1.040 42 E HN 0.925 nan 8.360 nan 0.000 0.454 50 I N 0.727 121.322 120.570 0.042 0.000 8.714 50 I HA -0.160 4.010 4.170 0.000 0.000 0.126 50 I C -0.483 175.647 176.117 0.022 0.000 1.854 50 I CA 0.618 61.942 61.300 0.040 0.000 2.050 50 I CB -0.336 37.697 38.000 0.056 0.000 3.870 50 I HN 0.465 nan 8.210 nan 0.000 0.173 51 A N 5.822 128.653 122.820 0.019 0.000 2.316 51 A HA 0.458 4.778 4.320 0.000 0.000 0.284 51 A C 1.127 178.717 177.584 0.009 0.000 1.115 51 A CA -0.037 52.006 52.037 0.011 0.000 0.812 51 A CB 0.782 19.788 19.000 0.010 0.000 1.064 51 A HN 1.377 nan 8.150 nan 0.000 0.489 52 C N 0.714 120.017 119.300 0.006 0.000 2.456 52 C HA 0.029 4.489 4.460 0.000 0.000 0.279 52 C C 2.340 177.334 174.990 0.007 0.000 1.427 52 C CA 0.914 59.936 59.018 0.006 0.000 1.778 52 C CB -1.691 26.052 27.740 0.005 0.000 1.842 52 C HN 1.029 nan 8.230 nan 0.000 0.531 53 S N 1.917 117.620 115.700 0.006 0.000 2.561 53 S HA 0.047 4.517 4.470 0.000 0.000 0.225 53 S C 0.853 175.455 174.600 0.004 0.000 0.977 53 S CA 0.611 58.813 58.200 0.004 0.000 0.926 53 S CB -0.906 62.296 63.200 0.003 0.000 0.769 53 S HN 0.935 nan 8.310 nan 0.000 0.533 54 S N 1.882 117.586 115.700 0.006 0.000 2.579 54 S HA 0.303 4.773 4.470 0.000 0.000 0.275 54 S C -1.734 172.869 174.600 0.005 0.000 1.345 54 S CA -0.943 57.262 58.200 0.008 0.000 1.031 54 S CB 0.412 63.620 63.200 0.013 0.000 0.892 54 S HN 0.084 nan 8.310 nan 0.000 0.529 55 P HA -0.074 nan 4.420 nan 0.000 0.215 55 P C 1.598 178.901 177.300 0.005 0.000 1.157 55 P CA 1.502 64.604 63.100 0.003 0.000 0.868 55 P CB -0.368 31.336 31.700 0.007 0.000 0.788 56 T N -1.183 113.377 114.554 0.011 0.000 2.665 56 T HA -0.246 4.104 4.350 0.000 0.000 0.268 56 T C 1.945 176.653 174.700 0.013 0.000 1.035 56 T CA 1.594 63.703 62.100 0.015 0.000 1.151 56 T CB -1.351 67.529 68.868 0.019 0.000 0.862 56 T HN 0.180 nan 8.240 nan 0.000 0.438 57 c N 0.681 119.288 118.600 0.011 0.000 2.446 57 c HA 0.077 4.647 4.570 0.000 0.000 0.277 57 c C 2.655 176.748 174.090 0.006 0.000 1.275 57 c CA 0.425 56.760 56.329 0.010 0.000 1.727 57 c CB -1.476 41.039 42.510 0.009 0.000 2.010 57 c HN 0.544 nan 8.230 nan 0.000 0.486 58 L N 0.122 121.342 121.223 -0.005 0.000 2.093 58 L HA -0.117 4.223 4.340 0.000 0.000 0.208 58 L C 2.607 179.446 176.870 -0.052 0.000 1.085 58 L CA 1.070 55.896 54.840 -0.023 0.000 0.755 58 L CB -0.618 41.425 42.059 -0.027 0.000 0.904 58 L HN 0.417 nan 8.230 nan 0.000 0.435 59 L N -0.275 120.925 121.223 -0.038 0.000 2.093 59 L HA -0.153 4.187 4.340 0.000 0.000 0.208 59 L C 2.671 179.526 176.870 -0.026 0.000 1.085 59 L CA 1.346 56.156 54.840 -0.050 0.000 0.755 59 L CB -0.350 41.710 42.059 0.002 0.000 0.904 59 L HN 0.268 nan 8.230 nan 0.000 0.435 60 A N -0.206 122.620 122.820 0.011 0.000 2.070 60 A HA -0.205 4.115 4.320 0.000 0.000 0.220 60 A C 1.470 179.086 177.584 0.053 0.000 1.159 60 A CA 1.807 53.870 52.037 0.043 0.000 0.656 60 A CB -0.598 18.425 19.000 0.039 0.000 0.800 60 A HN 0.647 nan 8.150 nan 0.000 0.453 61 N N -1.045 117.666 118.700 0.018 0.000 2.204 61 N HA 0.364 5.104 4.740 0.000 0.000 0.219 61 N C 1.151 176.615 175.510 -0.076 0.000 1.151 61 N CA 0.434 53.503 53.050 0.032 0.000 0.867 61 N CB 0.455 38.992 38.487 0.082 0.000 1.043 61 N HN 0.373 nan 8.380 nan 0.000 0.516 62 A N 0.187 122.877 122.820 -0.216 0.000 2.066 62 A HA -0.043 4.277 4.320 0.000 0.000 0.218 62 A C -0.137 177.063 177.584 -0.640 0.000 1.157 62 A CA 0.924 52.667 52.037 -0.491 0.000 0.670 62 A CB -0.301 18.257 19.000 -0.736 0.000 0.804 62 A HN 0.348 nan 8.150 nan 0.000 0.453 63 Y N -0.336 119.973 120.300 0.015 0.000 2.748 63 Y HA 0.406 4.956 4.550 0.000 0.000 0.359 63 Y C -2.626 173.274 175.900 0.001 0.000 1.030 63 Y CA -3.064 55.040 58.100 0.007 0.000 1.169 63 Y CB -0.228 38.239 38.460 0.012 0.000 1.127 63 Y HN 0.033 nan 8.280 nan 0.000 0.644 64 P HA 0.053 nan 4.420 nan 0.000 0.260 64 P C 0.184 177.499 177.300 0.026 0.000 1.185 64 P CA 0.287 63.392 63.100 0.009 0.000 0.763 64 P CB 0.689 32.354 31.700 -0.059 0.000 0.776 65 A N 6.861 129.696 122.820 0.025 0.000 2.425 65 A HA 0.256 4.576 4.320 0.000 0.000 0.242 65 A C -0.830 176.749 177.584 -0.010 0.000 1.077 65 A CA -0.866 51.186 52.037 0.024 0.000 0.781 65 A CB -0.882 18.140 19.000 0.036 0.000 1.020 65 A HN 0.429 nan 8.150 nan 0.000 0.494 66 P HA -0.274 nan 4.420 nan 0.000 0.218 66 P C 1.564 178.845 177.300 -0.032 0.000 1.132 66 P CA 2.564 65.656 63.100 -0.013 0.000 0.968 66 P CB -0.232 31.465 31.700 -0.005 0.000 0.783 67 G N -2.145 106.634 108.800 -0.035 0.000 2.484 67 G HA2 -0.104 3.856 3.960 0.000 0.000 0.218 67 G HA3 -0.104 3.856 3.960 0.000 0.000 0.218 67 G C 0.559 175.411 174.900 -0.080 0.000 1.130 67 G CA 0.246 45.318 45.100 -0.047 0.000 0.784 67 G HN 0.343 nan 8.290 nan 0.000 0.543 68 c N 0.659 119.192 118.600 -0.112 0.000 2.382 68 c HA 0.576 5.147 4.570 0.000 0.000 0.363 68 c C -0.535 173.390 174.090 -0.275 0.000 1.213 68 c CA -1.015 55.181 56.329 -0.223 0.000 2.363 68 c CB 2.030 44.376 42.510 -0.273 0.000 2.397 68 c HN 0.376 nan 8.230 nan 0.000 0.573 69 P HA 0.736 nan 4.420 nan 0.000 0.296 69 P C -0.825 176.245 177.300 -0.384 0.000 1.351 69 P CA 0.406 63.316 63.100 -0.318 0.000 0.829 69 P CB 0.591 32.154 31.700 -0.229 0.000 2.109 81 P HA 0.114 nan 4.420 nan 0.000 0.274 81 P C -0.068 177.223 177.300 -0.015 0.000 1.237 81 P CA -0.549 62.545 63.100 -0.010 0.000 0.793 81 P CB 0.697 32.388 31.700 -0.015 0.000 0.977 82 c N 2.159 120.752 118.600 -0.012 0.000 2.624 82 c HA 0.213 4.783 4.570 0.000 0.000 0.397 82 c C 0.394 174.449 174.090 -0.058 0.000 1.331 82 c CA 0.305 56.622 56.329 -0.020 0.000 1.716 82 c CB -1.860 40.648 42.510 -0.004 0.000 2.452 82 c HN 0.525 nan 8.230 nan 0.000 0.586 83 T N 6.359 120.858 114.554 -0.090 0.000 2.744 83 T HA 0.597 4.947 4.350 0.000 0.000 0.291 83 T C 0.255 174.760 174.700 -0.326 0.000 0.957 83 T CA -0.139 61.830 62.100 -0.218 0.000 1.002 83 T CB 1.101 69.838 68.868 -0.219 0.000 0.919 83 T HN 0.954 nan 8.240 nan 0.000 0.468 84 A N 2.805 125.388 122.820 -0.393 0.000 2.309 84 A HA 0.811 5.131 4.320 0.000 0.000 0.317 84 A C -1.407 175.807 177.584 -0.616 0.000 1.134 84 A CA -0.783 51.060 52.037 -0.324 0.000 0.866 84 A CB 0.924 19.858 19.000 -0.109 0.000 1.329 84 A HN 0.822 nan 8.150 nan 0.000 0.477 85 Y N 0.764 121.030 120.300 -0.056 0.000 2.662 85 Y HA 0.296 4.846 4.550 0.000 0.000 0.358 85 Y C -2.239 173.570 175.900 -0.151 0.000 1.041 85 Y CA -2.236 55.805 58.100 -0.098 0.000 1.184 85 Y CB 0.770 39.190 38.460 -0.066 0.000 1.114 85 Y HN 0.429 nan 8.280 nan 0.000 0.650 86 P HA 0.042 nan 4.420 nan 0.000 0.264 86 P C -0.184 176.840 177.300 -0.461 0.000 1.193 86 P CA 0.420 63.200 63.100 -0.533 0.000 0.763 86 P CB 1.273 32.284 31.700 -1.148 0.000 0.810 87 S N 1.821 117.390 115.700 -0.218 0.000 2.566 87 S HA 0.351 4.821 4.470 0.000 0.000 0.298 87 S C -0.275 174.437 174.600 0.187 0.000 1.083 87 S CA -0.991 57.174 58.200 -0.058 0.000 0.978 87 S CB 1.485 64.702 63.200 0.028 0.000 1.073 87 S HN 0.448 nan 8.310 nan 0.000 0.491 88 N N 2.256 121.052 118.700 0.160 0.000 2.444 88 N HA 0.290 5.030 4.740 0.000 0.000 0.271 88 N C -1.741 173.867 175.510 0.164 0.000 1.069 88 N CA -2.021 51.202 53.050 0.288 0.000 0.965 88 N CB 1.395 40.002 38.487 0.200 0.000 1.092 88 N HN 0.417 nan 8.380 nan 0.000 0.476 89 P HA -0.036 nan 4.420 nan 0.000 0.225 89 P C 1.242 178.567 177.300 0.041 0.000 1.156 89 P CA 0.527 63.670 63.100 0.073 0.000 0.787 89 P CB 0.597 32.324 31.700 0.044 0.000 0.802 90 V N 0.613 120.554 119.914 0.046 0.000 2.379 90 V HA -0.114 4.006 4.120 0.000 0.000 0.243 90 V C 2.773 178.883 176.094 0.028 0.000 1.035 90 V CA 2.557 64.872 62.300 0.026 0.000 1.035 90 V CB -1.810 30.028 31.823 0.024 0.000 0.673 90 V HN 0.271 nan 8.190 nan 0.000 0.457 91 T N -2.942 111.635 114.554 0.039 0.000 3.031 91 T HA 0.301 4.651 4.350 0.000 0.000 0.254 91 T C 1.683 176.397 174.700 0.022 0.000 1.060 91 T CA 1.200 63.317 62.100 0.028 0.000 1.135 91 T CB 0.586 69.472 68.868 0.031 0.000 0.896 91 T HN 1.005 nan 8.240 nan 0.000 0.472 92 G N 1.635 110.453 108.800 0.030 0.000 2.175 92 G HA2 -0.023 3.937 3.960 0.000 0.000 0.244 92 G HA3 -0.023 3.937 3.960 0.000 0.000 0.244 92 G C 0.375 175.280 174.900 0.008 0.000 0.982 92 G CA 0.010 45.122 45.100 0.020 0.000 0.641 92 G HN 1.196 nan 8.290 nan 0.000 0.527 93 A N -0.398 122.426 122.820 0.007 0.000 2.520 93 A HA 0.524 4.844 4.320 0.000 0.000 0.235 93 A C 1.150 178.713 177.584 -0.034 0.000 1.065 93 A CA 1.088 53.118 52.037 -0.012 0.000 0.764 93 A CB -0.184 18.810 19.000 -0.011 0.000 1.002 93 A HN 2.048 nan 8.150 nan 0.000 0.502 94 c N -0.713 117.858 118.600 -0.048 0.000 3.154 94 c HA 1.028 5.598 4.570 0.000 0.000 0.312 94 c C -0.038 174.014 174.090 -0.063 0.000 1.349 94 c CA -0.199 56.084 56.329 -0.076 0.000 1.518 94 c CB 0.992 43.480 42.510 -0.038 0.000 1.934 94 c HN 2.010 nan 8.230 nan 0.000 0.462 95 A N 0.232 123.007 122.820 -0.075 0.000 2.574 95 A HA 0.886 5.206 4.320 0.000 0.000 0.297 95 A C -0.393 177.173 177.584 -0.029 0.000 1.062 95 A CA 0.179 52.186 52.037 -0.049 0.000 0.686 95 A CB 0.717 19.638 19.000 -0.131 0.000 1.285 95 A HN 2.557 nan 8.150 nan 0.000 0.403 96 A N 0.289 123.105 122.820 -0.007 0.000 2.477 96 A HA 0.669 4.989 4.320 0.000 0.000 0.246 96 A C 0.650 178.088 177.584 -0.244 0.000 1.078 96 A CA 0.671 52.571 52.037 -0.228 0.000 0.770 96 A CB 0.015 18.959 19.000 -0.093 0.000 1.011 96 A HN 2.432 nan 8.150 nan 0.000 0.494 97 G N 0.249 108.858 108.800 -0.318 0.000 2.646 97 G HA2 0.593 4.553 3.960 0.000 0.000 0.291 97 G HA3 0.593 4.553 3.960 0.000 0.000 0.291 97 G C -0.567 174.238 174.900 -0.158 0.000 1.445 97 G CA 0.170 45.159 45.100 -0.184 0.000 0.814 97 G HN 1.414 nan 8.290 nan 0.000 0.495 98 S N -0.680 114.979 115.700 -0.068 0.000 2.747 98 S HA 0.806 5.276 4.470 0.000 0.000 0.300 98 S C -0.148 174.507 174.600 0.092 0.000 1.121 98 S CA -0.866 57.318 58.200 -0.027 0.000 0.995 98 S CB 1.464 64.648 63.200 -0.026 0.000 1.113 98 S HN 0.611 nan 8.310 nan 0.000 0.547 99 L N 1.647 122.927 121.223 0.096 0.000 2.334 99 L HA 0.625 4.965 4.340 0.000 0.000 0.277 99 L C -0.598 176.411 176.870 0.231 0.000 1.075 99 L CA -0.729 54.205 54.840 0.158 0.000 0.804 99 L CB 0.461 42.566 42.059 0.077 0.000 1.174 99 L HN 0.832 nan 8.230 nan 0.000 0.438 100 F N -0.532 119.430 119.950 0.020 0.000 2.578 100 F HA 0.527 5.055 4.527 0.000 0.000 0.311 100 F C -0.407 175.448 175.800 0.092 0.000 1.094 100 F CA -1.269 56.717 58.000 -0.024 0.000 0.923 100 F CB 0.877 39.869 39.000 -0.013 0.000 1.230 100 F HN 0.316 nan 8.300 nan 0.000 0.450 101 H N 1.308 120.383 119.070 0.008 0.000 2.732 101 H HA 0.537 5.093 4.556 0.000 0.000 0.351 101 H C 0.073 175.329 175.328 -0.121 0.000 1.090 101 H CA -0.091 55.907 56.048 -0.084 0.000 1.431 101 H CB 1.395 31.151 29.762 -0.010 0.000 1.447 101 H HN 0.910 nan 8.280 nan 0.000 0.582 102 T N 1.729 116.254 114.554 -0.048 0.000 2.731 102 T HA 0.445 4.795 4.350 0.000 0.000 0.300 102 T C -1.084 173.599 174.700 -0.029 0.000 1.283 102 T CA -1.014 61.055 62.100 -0.051 0.000 1.005 102 T CB 1.139 69.960 68.868 -0.078 0.000 1.420 102 T HN 0.453 nan 8.240 nan 0.000 0.503 103 R N 1.448 121.889 120.500 -0.098 0.000 2.514 103 R HA 0.535 4.875 4.340 0.000 0.000 0.301 103 R C -1.335 174.985 176.300 0.034 0.000 0.962 103 R CA -0.733 55.334 56.100 -0.055 0.000 0.882 103 R CB 0.804 31.021 30.300 -0.138 0.000 1.143 103 R HN 0.567 nan 8.270 nan 0.000 0.452 104 F N 2.181 122.120 119.950 -0.018 0.000 2.361 104 F HA 0.565 5.092 4.527 0.000 0.000 0.364 104 F C -0.692 175.114 175.800 0.010 0.000 1.117 104 F CA -1.693 56.340 58.000 0.055 0.000 1.071 104 F CB 1.073 40.148 39.000 0.126 0.000 1.188 104 F HN 0.621 nan 8.300 nan 0.000 0.464 105 A N 5.387 128.061 122.820 -0.242 0.000 2.260 105 A HA 0.899 5.219 4.320 0.000 0.000 0.308 105 A C -0.462 176.862 177.584 -0.433 0.000 1.254 105 A CA 0.444 52.302 52.037 -0.299 0.000 0.874 105 A CB 0.084 19.014 19.000 -0.117 0.000 1.153 105 A HN 1.364 nan 8.150 nan 0.000 0.527 106 A N 2.967 125.517 122.820 -0.449 0.000 3.742 106 A HA 0.818 5.138 4.320 0.000 0.000 0.282 106 A C -0.889 176.570 177.584 -0.208 0.000 1.117 106 A CA -0.669 51.162 52.037 -0.343 0.000 0.624 106 A CB 0.791 19.483 19.000 -0.513 0.000 1.548 106 A HN 0.668 nan 8.150 nan 0.000 0.723 107 N N -0.194 118.415 118.700 -0.151 0.000 2.262 107 N HA 0.576 5.316 4.740 0.000 0.000 0.295 107 N C -0.631 174.833 175.510 -0.078 0.000 1.161 107 N CA 0.256 53.235 53.050 -0.117 0.000 0.767 107 N CB 2.123 40.531 38.487 -0.131 0.000 1.499 107 N HN 0.915 nan 8.380 nan 0.000 0.476 108 T N -1.756 112.761 114.554 -0.061 0.000 2.754 108 T HA 0.433 4.783 4.350 0.000 0.000 0.286 108 T C 0.304 174.993 174.700 -0.018 0.000 0.997 108 T CA -0.190 61.897 62.100 -0.023 0.000 0.982 108 T CB 1.392 70.252 68.868 -0.013 0.000 1.027 108 T HN 0.350 nan 8.240 nan 0.000 0.529 109 T N -0.311 114.250 114.554 0.012 0.000 2.923 109 T HA 0.376 4.726 4.350 0.000 0.000 0.311 109 T C -0.324 174.396 174.700 0.033 0.000 1.183 109 T CA -0.540 61.577 62.100 0.029 0.000 1.020 109 T CB 1.468 70.374 68.868 0.063 0.000 1.165 109 T HN 0.793 nan 8.240 nan 0.000 0.482 110 D N 1.225 121.644 120.400 0.031 0.000 2.339 110 D HA 0.259 4.899 4.640 0.000 0.000 0.217 110 D C 1.449 177.765 176.300 0.027 0.000 1.050 110 D CA 0.814 54.829 54.000 0.024 0.000 0.856 110 D CB -0.053 40.755 40.800 0.014 0.000 0.922 110 D HN 1.030 nan 8.370 nan 0.000 0.518 111 G N 0.703 109.535 108.800 0.053 0.000 2.259 111 G HA2 -0.285 3.675 3.960 0.000 0.000 0.217 111 G HA3 -0.285 3.675 3.960 0.000 0.000 0.217 111 G C 1.070 176.006 174.900 0.060 0.000 1.001 111 G CA 0.135 45.275 45.100 0.066 0.000 0.627 111 G HN 0.343 nan 8.290 nan 0.000 0.501 112 N N 0.599 119.272 118.700 -0.044 0.000 2.332 112 N HA 0.198 4.938 4.740 0.000 0.000 0.190 112 N C 0.614 175.808 175.510 -0.526 0.000 1.117 112 N CA 1.420 54.295 53.050 -0.290 0.000 0.883 112 N CB 0.735 39.085 38.487 -0.229 0.000 1.089 112 N HN 0.868 nan 8.380 nan 0.000 0.480 113 K N -0.575 119.721 120.400 -0.174 0.000 2.642 113 K HA 0.421 4.741 4.320 0.000 0.000 0.290 113 K C -3.306 173.284 176.600 -0.017 0.000 1.006 113 K CA -1.406 54.807 56.287 -0.123 0.000 0.869 113 K CB 1.417 33.922 32.500 0.008 0.000 1.499 113 K HN -0.323 nan 8.250 nan 0.000 0.403 114 P HA 0.013 nan 4.420 nan 0.000 0.271 114 P C -0.108 176.929 177.300 -0.438 0.000 1.220 114 P CA -0.467 62.447 63.100 -0.310 0.000 0.768 114 P CB 1.088 32.524 31.700 -0.440 0.000 0.848 115 V N 1.842 121.629 119.914 -0.211 0.000 2.868 115 V HA 0.116 4.236 4.120 0.000 0.000 0.227 115 V C 0.772 176.812 176.094 -0.091 0.000 1.136 115 V CA 1.051 63.293 62.300 -0.096 0.000 1.206 115 V CB -0.264 31.548 31.823 -0.018 0.000 0.997 115 V HN 0.495 nan 8.190 nan 0.000 0.505 116 S N -0.445 115.209 115.700 -0.075 0.000 2.568 116 S HA 0.509 4.979 4.470 0.000 0.000 0.293 116 S C -0.808 173.745 174.600 -0.078 0.000 1.089 116 S CA -0.723 57.441 58.200 -0.061 0.000 0.945 116 S CB 2.110 65.292 63.200 -0.029 0.000 1.077 116 S HN 0.421 nan 8.310 nan 0.000 0.485 117 E N 0.393 120.549 120.200 -0.073 0.000 2.422 117 E HA 0.419 4.769 4.350 0.000 0.000 0.260 117 E C -0.883 175.670 176.600 -0.079 0.000 1.108 117 E CA -0.218 56.132 56.400 -0.083 0.000 0.943 117 E CB 0.763 30.421 29.700 -0.070 0.000 0.961 117 E HN 0.257 nan 8.360 nan 0.000 0.443 118 V N 1.994 121.845 119.914 -0.104 0.000 2.924 118 V HA 0.203 4.323 4.120 0.000 0.000 0.300 118 V C -1.797 174.213 176.094 -0.139 0.000 1.227 118 V CA -0.679 61.560 62.300 -0.101 0.000 0.954 118 V CB 2.341 34.110 31.823 -0.091 0.000 1.055 118 V HN 0.688 nan 8.190 nan 0.000 0.429 119 N N 3.534 122.170 118.700 -0.105 0.000 2.417 119 N HA 0.656 5.397 4.740 0.000 0.000 0.274 119 N C -1.033 174.433 175.510 -0.074 0.000 0.987 119 N CA -0.399 52.586 53.050 -0.108 0.000 0.912 119 N CB 2.151 40.589 38.487 -0.081 0.000 1.177 119 N HN 0.468 nan 8.380 nan 0.000 0.490 120 V N 2.595 122.474 119.914 -0.058 0.000 2.407 120 V HA 0.352 4.472 4.120 0.000 0.000 0.278 120 V C 0.482 176.599 176.094 0.038 0.000 1.037 120 V CA -0.717 61.591 62.300 0.013 0.000 0.900 120 V CB 0.985 32.858 31.823 0.083 0.000 0.983 120 V HN 0.588 nan 8.190 nan 0.000 0.459 121 R N 3.293 123.794 120.500 0.001 0.000 2.370 121 R HA 0.485 4.825 4.340 0.000 0.000 0.309 121 R C -0.331 175.958 176.300 -0.017 0.000 1.059 121 R CA -0.043 56.044 56.100 -0.023 0.000 0.981 121 R CB 0.873 31.130 30.300 -0.072 0.000 0.972 121 R HN 0.716 nan 8.270 nan 0.000 0.437 122 V N 0.937 120.848 119.914 -0.005 0.000 3.078 122 V HA 0.559 4.679 4.120 0.000 0.000 0.311 122 V C -0.749 175.314 176.094 -0.053 0.000 1.138 122 V CA -1.223 61.066 62.300 -0.020 0.000 1.007 122 V CB 2.090 33.922 31.823 0.015 0.000 1.045 122 V HN 0.559 nan 8.190 nan 0.000 0.432 123 L N 3.193 124.379 121.223 -0.063 0.000 2.282 123 L HA 0.888 5.228 4.340 0.000 0.000 0.288 123 L C 0.412 177.206 176.870 -0.127 0.000 1.033 123 L CA -0.234 54.563 54.840 -0.073 0.000 0.807 123 L CB 1.384 43.439 42.059 -0.007 0.000 1.209 123 L HN 1.073 nan 8.230 nan 0.000 0.423 124 A N 2.824 125.487 122.820 -0.262 0.000 2.386 124 A HA 0.926 5.246 4.320 0.000 0.000 0.308 124 A C -0.736 176.845 177.584 -0.005 0.000 1.128 124 A CA -0.566 51.361 52.037 -0.183 0.000 0.789 124 A CB 1.701 20.528 19.000 -0.288 0.000 1.325 124 A HN 0.702 nan 8.150 nan 0.000 0.437 125 A N -0.139 122.796 122.820 0.193 0.000 2.305 125 A HA 0.538 4.858 4.320 0.000 0.000 0.322 125 A C 0.137 177.983 177.584 0.436 0.000 1.187 125 A CA -0.335 51.862 52.037 0.266 0.000 0.825 125 A CB 0.185 19.250 19.000 0.109 0.000 1.164 125 A HN 1.179 nan 8.150 nan 0.000 0.498 126 c N 2.067 120.903 118.600 0.392 0.000 2.611 126 c HA 0.455 5.025 4.570 0.000 0.000 0.416 126 c C 0.979 175.108 174.090 0.066 0.000 1.366 126 c CA 1.025 57.454 56.329 0.166 0.000 1.761 126 c CB -1.033 41.438 42.510 -0.065 0.000 2.619 126 c HN 1.020 nan 8.230 nan 0.000 0.606 127 A N 7.361 130.226 122.820 0.076 0.000 2.435 127 A HA 0.879 5.199 4.320 0.000 0.000 0.304 127 A C -2.529 175.042 177.584 -0.020 0.000 1.064 127 A CA -1.160 50.829 52.037 -0.081 0.000 0.727 127 A CB 1.266 20.087 19.000 -0.298 0.000 1.284 127 A HN 0.721 nan 8.150 nan 0.000 0.415 128 P HA 0.092 nan 4.420 nan 0.000 0.272 128 P C 0.933 178.244 177.300 0.017 0.000 1.230 128 P CA 0.175 63.259 63.100 -0.026 0.000 0.788 128 P CB 1.226 32.899 31.700 -0.044 0.000 0.949 129 S N 2.006 117.725 115.700 0.032 0.000 2.469 129 S HA -0.187 4.284 4.470 0.000 0.000 0.238 129 S C 1.504 176.136 174.600 0.053 0.000 0.998 129 S CA 1.180 59.415 58.200 0.058 0.000 0.957 129 S CB -0.881 62.345 63.200 0.044 0.000 0.764 129 S HN 0.621 nan 8.310 nan 0.000 0.514 130 K N 0.489 120.904 120.400 0.025 0.000 2.362 130 K HA 0.132 4.452 4.320 0.000 0.000 0.200 130 K C 1.907 178.526 176.600 0.030 0.000 1.046 130 K CA 0.840 57.140 56.287 0.020 0.000 0.952 130 K CB -0.346 32.154 32.500 0.002 0.000 0.753 130 K HN 0.376 nan 8.250 nan 0.000 0.466 131 L N 1.169 122.412 121.223 0.033 0.000 2.492 131 L HA 0.094 4.435 4.340 0.000 0.000 0.223 131 L C 1.571 178.575 176.870 0.223 0.000 1.132 131 L CA 0.458 55.324 54.840 0.043 0.000 0.850 131 L CB -0.039 41.928 42.059 -0.155 0.000 0.966 131 L HN 0.321 nan 8.230 nan 0.000 0.454 132 L N 0.124 121.466 121.223 0.199 0.000 2.610 132 L HA 0.069 4.409 4.340 0.000 0.000 0.232 132 L C 1.328 178.262 176.870 0.106 0.000 1.149 132 L CA -0.387 54.557 54.840 0.174 0.000 0.872 132 L CB -0.532 41.601 42.059 0.123 0.000 0.992 132 L HN 0.144 nan 8.230 nan 0.000 0.447 133 A N -0.162 122.711 122.820 0.088 0.000 2.573 133 A HA 0.057 4.377 4.320 0.000 0.000 0.250 133 A C 1.305 178.923 177.584 0.056 0.000 1.049 133 A CA 1.083 53.156 52.037 0.059 0.000 0.767 133 A CB 0.007 19.034 19.000 0.045 0.000 0.965 133 A HN 0.378 nan 8.150 nan 0.000 0.514 134 S N 0.324 116.046 115.700 0.037 0.000 2.931 134 S HA -0.128 4.342 4.470 0.000 0.000 0.271 134 S C 0.197 174.807 174.600 0.018 0.000 1.309 134 S CA 1.083 59.299 58.200 0.026 0.000 1.181 134 S CB -2.109 61.108 63.200 0.028 0.000 1.435 134 S HN 0.748 nan 8.310 nan 0.000 0.670 135 L N 1.255 122.490 121.223 0.020 0.000 2.400 135 L HA 0.550 4.890 4.340 0.000 0.000 0.264 135 L C -1.998 174.863 176.870 -0.014 0.000 1.061 135 L CA -2.496 52.341 54.840 -0.005 0.000 0.799 135 L CB 0.228 42.280 42.059 -0.012 0.000 1.240 135 L HN 0.002 nan 8.230 nan 0.000 0.461 136 P HA 0.135 nan 4.420 nan 0.000 0.271 136 P C -0.921 176.369 177.300 -0.017 0.000 1.216 136 P CA -0.373 62.709 63.100 -0.031 0.000 0.776 136 P CB 0.378 32.050 31.700 -0.047 0.000 0.881 137 R N 2.026 122.522 120.500 -0.008 0.000 2.523 137 R HA 0.183 4.523 4.340 0.000 0.000 0.281 137 R C 1.398 177.698 176.300 0.001 0.000 0.969 137 R CA 1.405 57.505 56.100 0.002 0.000 1.093 137 R CB -0.739 29.564 30.300 0.005 0.000 0.917 137 R HN 0.926 nan 8.270 nan 0.000 0.408 138 G N 1.692 110.496 108.800 0.007 0.000 2.213 138 G HA2 -0.273 3.687 3.960 0.000 0.000 0.236 138 G HA3 -0.273 3.687 3.960 0.000 0.000 0.236 138 G C 0.004 174.906 174.900 0.003 0.000 0.991 138 G CA 0.027 45.134 45.100 0.011 0.000 0.629 138 G HN 0.551 nan 8.290 nan 0.000 0.517 139 S N 0.949 116.639 115.700 -0.016 0.000 2.489 139 S HA 0.509 4.979 4.470 0.000 0.000 0.277 139 S C 1.243 175.816 174.600 -0.045 0.000 1.230 139 S CA 0.484 58.653 58.200 -0.052 0.000 1.053 139 S CB 1.451 64.598 63.200 -0.087 0.000 0.955 139 S HN 0.894 nan 8.310 nan 0.000 0.488 140 T N -0.151 114.370 114.554 -0.056 0.000 3.105 140 T HA 0.552 4.903 4.350 0.000 0.000 0.253 140 T C 0.782 175.424 174.700 -0.096 0.000 1.047 140 T CA 0.173 62.268 62.100 -0.007 0.000 0.944 140 T CB 0.075 68.990 68.868 0.078 0.000 1.016 140 T HN 0.783 nan 8.240 nan 0.000 0.544 141 G N 0.286 108.868 108.800 -0.363 0.000 2.399 141 G HA2 0.436 4.396 3.960 0.000 0.000 0.256 141 G HA3 0.436 4.396 3.960 0.000 0.000 0.256 141 G C -2.121 172.174 174.900 -1.008 0.000 1.236 141 G CA -0.176 44.384 45.100 -0.900 0.000 0.914 141 G HN 0.437 nan 8.290 nan 0.000 0.482 142 V N 0.557 119.708 119.914 -1.272 0.000 2.668 142 V HA 0.687 4.807 4.120 0.000 0.000 0.304 142 V C 0.133 175.791 176.094 -0.725 0.000 1.071 142 V CA -0.103 61.620 62.300 -0.961 0.000 0.894 142 V CB 1.494 32.671 31.823 -1.078 0.000 1.008 142 V HN 1.755 nan 8.190 nan 0.000 0.425 143 A N 3.577 126.076 122.820 -0.535 0.000 2.650 143 A HA 0.663 4.983 4.320 0.000 0.000 0.320 143 A C 0.823 178.191 177.584 -0.360 0.000 1.466 143 A CA 0.173 51.920 52.037 -0.482 0.000 1.099 143 A CB -0.139 nan 19.000 nan 0.000 1.136 143 A HN 1.188 nan 8.150 nan 0.000 0.532 144 G N 0.947 109.568 108.800 -0.299 0.000 2.340 144 G HA2 0.380 4.340 3.960 0.000 0.000 0.245 144 G HA3 0.380 4.340 3.960 0.000 0.000 0.245 144 G C 0.456 175.188 174.900 -0.280 0.000 1.294 144 G CA -0.313 44.658 45.100 -0.215 0.000 0.896 144 G HN 0.732 nan 8.290 nan 0.000 0.522 145 L N 1.600 122.647 121.223 -0.293 0.000 2.858 145 L HA 0.309 4.649 4.340 0.000 0.000 0.251 145 L C 1.605 178.326 176.870 -0.249 0.000 1.149 145 L CA -0.174 54.393 54.840 -0.456 0.000 0.955 145 L CB 0.123 41.727 42.059 -0.757 0.000 1.289 145 L HN 0.564 nan 8.230 nan 0.000 0.542 146 A N 0.729 123.453 122.820 -0.160 0.000 2.354 146 A HA 0.579 4.900 4.320 0.000 0.000 0.269 146 A C 0.648 178.193 177.584 -0.065 0.000 1.109 146 A CA 0.054 51.990 52.037 -0.168 0.000 0.800 146 A CB 0.308 19.145 19.000 -0.271 0.000 1.045 146 A HN 0.194 nan 8.150 nan 0.000 0.489 147 G N 0.749 109.554 108.800 0.007 0.000 2.406 147 G HA2 0.504 4.465 3.960 0.000 0.000 0.251 147 G HA3 0.504 4.465 3.960 0.000 0.000 0.251 147 G C 0.385 175.325 174.900 0.066 0.000 1.271 147 G CA 0.745 45.914 45.100 0.116 0.000 0.859 147 G HN 2.076 nan 8.290 nan 0.000 0.540 148 S N 0.600 116.348 115.700 0.079 0.000 3.382 148 S HA 0.564 5.034 4.470 0.000 0.000 0.290 148 S C 0.949 175.593 174.600 0.072 0.000 1.223 148 S CA 0.620 58.869 58.200 0.083 0.000 1.487 148 S CB 0.262 63.506 63.200 0.074 0.000 1.515 148 S HN 1.335 nan 8.310 nan 0.000 0.379 149 G N 0.568 109.408 108.800 0.066 0.000 2.728 149 G HA2 0.347 4.307 3.960 0.000 0.000 0.223 149 G HA3 0.347 4.307 3.960 0.000 0.000 0.223 149 G C 0.941 175.852 174.900 0.018 0.000 1.379 149 G CA 0.222 45.349 45.100 0.045 0.000 0.870 149 G HN 0.611 nan 8.290 nan 0.000 0.591 150 L N 1.674 122.907 121.223 0.017 0.000 2.599 150 L HA 0.337 4.677 4.340 0.000 0.000 0.230 150 L C 1.621 178.458 176.870 -0.054 0.000 1.141 150 L CA -0.330 54.503 54.840 -0.012 0.000 0.877 150 L CB -0.311 41.751 42.059 0.006 0.000 1.009 150 L HN 0.249 nan 8.230 nan 0.000 0.447 151 A N 0.109 122.893 122.820 -0.060 0.000 2.466 151 A HA 0.023 4.343 4.320 0.000 0.000 0.238 151 A C 1.087 178.557 177.584 -0.190 0.000 1.074 151 A CA -0.238 51.721 52.037 -0.130 0.000 0.774 151 A CB 0.445 19.373 19.000 -0.119 0.000 1.015 151 A HN 0.167 nan 8.150 nan 0.000 0.498 152 L N 2.587 123.620 121.223 -0.317 0.000 2.017 152 L HA -0.031 4.310 4.340 0.000 0.000 0.208 152 L C -0.784 175.838 176.870 -0.412 0.000 1.073 152 L CA 2.512 57.078 54.840 -0.456 0.000 0.745 152 L CB -1.398 40.233 42.059 -0.713 0.000 0.894 152 L HN 0.537 nan 8.230 nan 0.000 0.432 153 P HA -0.124 nan 4.420 nan 0.000 0.215 153 P C 1.901 179.222 177.300 0.034 0.000 1.153 153 P CA 2.053 65.139 63.100 -0.024 0.000 0.853 153 P CB -0.227 31.551 31.700 0.130 0.000 0.788 154 S N -0.218 115.490 115.700 0.014 0.000 2.370 154 S HA -0.239 4.231 4.470 0.000 0.000 0.226 154 S C 2.007 176.611 174.600 0.007 0.000 1.033 154 S CA 1.155 59.376 58.200 0.036 0.000 1.011 154 S CB -1.407 61.815 63.200 0.037 0.000 0.852 154 S HN 0.259 nan 8.310 nan 0.000 0.457 155 Q N 0.435 120.210 119.800 -0.041 0.000 2.187 155 Q HA 0.078 4.418 4.340 0.000 0.000 0.199 155 Q C 2.364 178.352 176.000 -0.020 0.000 0.957 155 Q CA 1.038 56.818 55.803 -0.038 0.000 0.857 155 Q CB -0.369 28.328 28.738 -0.068 0.000 0.929 155 Q HN 0.460 nan 8.270 nan 0.000 0.453 156 V N 1.193 121.087 119.914 -0.033 0.000 2.358 156 V HA -0.270 3.850 4.120 0.000 0.000 0.246 156 V C 2.327 178.458 176.094 0.061 0.000 1.047 156 V CA 1.767 64.082 62.300 0.025 0.000 1.035 156 V CB -0.912 30.926 31.823 0.025 0.000 0.658 156 V HN 0.369 nan 8.190 nan 0.000 0.452 157 A N 0.784 123.647 122.820 0.072 0.000 1.859 157 A HA -0.281 4.039 4.320 0.000 0.000 0.217 157 A C 2.581 180.198 177.584 0.056 0.000 1.198 157 A CA 2.941 55.027 52.037 0.082 0.000 0.629 157 A CB -0.978 18.079 19.000 0.094 0.000 0.830 157 A HN 0.691 nan 8.150 nan 0.000 0.446 158 S N -0.456 115.266 115.700 0.038 0.000 2.414 158 S HA 0.221 4.691 4.470 0.000 0.000 0.227 158 S C 2.057 176.666 174.600 0.016 0.000 1.022 158 S CA 1.154 59.370 58.200 0.026 0.000 0.958 158 S CB -0.510 62.701 63.200 0.019 0.000 0.797 158 S HN 0.939 nan 8.310 nan 0.000 0.493 159 A N 0.975 123.803 122.820 0.012 0.000 1.969 159 A HA 0.036 4.356 4.320 0.000 0.000 0.218 159 A C 2.236 179.828 177.584 0.013 0.000 1.169 159 A CA 1.179 53.218 52.037 0.003 0.000 0.635 159 A CB -0.356 18.644 19.000 0.000 0.000 0.810 159 A HN 0.545 nan 8.150 nan 0.000 0.445 160 Q N -1.212 118.606 119.800 0.029 0.000 2.217 160 Q HA 0.116 4.456 4.340 0.000 0.000 0.217 160 Q C -0.738 175.284 176.000 0.036 0.000 0.844 160 Q CA 0.133 55.956 55.803 0.033 0.000 0.957 160 Q CB 0.481 29.250 28.738 0.052 0.000 1.127 160 Q HN 0.723 nan 8.270 nan 0.000 0.503 161 K N 0.042 120.463 120.400 0.035 0.000 3.393 161 K HA -0.155 4.165 4.320 0.000 0.000 0.272 161 K C -0.251 176.377 176.600 0.046 0.000 1.004 161 K CA 0.566 56.875 56.287 0.036 0.000 0.764 161 K CB -2.269 30.247 32.500 0.026 0.000 1.373 161 K HN 0.194 nan 8.250 nan 0.000 0.458 162 V N -4.253 115.697 119.914 0.061 0.000 3.141 162 V HA 0.760 4.880 4.120 0.000 0.000 0.312 162 V C -2.512 173.632 176.094 0.084 0.000 1.157 162 V CA -2.804 59.540 62.300 0.073 0.000 1.041 162 V CB 1.932 33.810 31.823 0.091 0.000 1.071 162 V HN -0.090 nan 8.190 nan 0.000 0.441 163 P HA 0.126 nan 4.420 nan 0.000 0.266 163 P C -0.664 176.716 177.300 0.132 0.000 1.195 163 P CA 0.327 63.486 63.100 0.098 0.000 0.768 163 P CB 0.062 31.818 31.700 0.092 0.000 0.838 164 N N 3.460 122.238 118.700 0.131 0.000 2.466 164 N HA 0.092 4.832 4.740 0.000 0.000 0.263 164 N C -0.579 175.057 175.510 0.210 0.000 1.178 164 N CA 0.117 53.267 53.050 0.167 0.000 0.983 164 N CB -0.661 37.910 38.487 0.140 0.000 1.331 164 N HN 0.344 nan 8.380 nan 0.000 0.500 165 K N 2.425 122.985 120.400 0.267 0.000 2.583 165 K HA 0.321 4.641 4.320 0.000 0.000 0.260 165 K C -1.690 175.128 176.600 0.364 0.000 0.931 165 K CA -0.834 55.606 56.287 0.255 0.000 0.849 165 K CB 0.550 33.142 32.500 0.152 0.000 1.347 165 K HN 0.160 nan 8.250 nan 0.000 0.425 166 F N 1.507 121.563 119.950 0.176 0.000 2.620 166 F HA 0.762 5.289 4.527 0.000 0.000 0.320 166 F C -1.868 174.001 175.800 0.116 0.000 1.069 166 F CA -1.307 56.751 58.000 0.096 0.000 0.953 166 F CB 1.593 40.652 39.000 0.099 0.000 1.322 166 F HN 0.411 nan 8.300 nan 0.000 0.479 167 L N 3.321 124.580 121.223 0.060 0.000 2.385 167 L HA 0.664 5.004 4.340 0.000 0.000 0.273 167 L C -1.851 175.056 176.870 0.063 0.000 0.990 167 L CA -0.637 54.221 54.840 0.030 0.000 0.821 167 L CB 1.854 43.922 42.059 0.015 0.000 1.279 167 L HN 0.775 nan 8.230 nan 0.000 0.412 168 L N 4.853 126.167 121.223 0.152 0.000 2.346 168 L HA 0.522 4.862 4.340 0.000 0.000 0.276 168 L C -1.039 175.893 176.870 0.103 0.000 1.006 168 L CA -0.636 54.283 54.840 0.132 0.000 0.817 168 L CB 1.990 44.185 42.059 0.227 0.000 1.272 168 L HN 0.662 nan 8.230 nan 0.000 0.421 169 c N 5.409 124.053 118.600 0.074 0.000 2.653 169 c HA 0.445 5.015 4.570 0.000 0.000 0.291 169 c C -0.026 174.100 174.090 0.060 0.000 1.064 169 c CA -0.600 55.784 56.329 0.092 0.000 1.469 169 c CB -0.447 42.191 42.510 0.214 0.000 1.861 169 c HN 0.650 nan 8.230 nan 0.000 0.434 170 L N 7.226 128.451 121.223 0.003 0.000 2.380 170 L HA 0.433 4.773 4.340 0.000 0.000 0.273 170 L C -1.875 175.029 176.870 0.057 0.000 1.138 170 L CA -1.137 53.668 54.840 -0.058 0.000 0.832 170 L CB 1.115 42.978 42.059 -0.327 0.000 1.124 170 L HN 0.422 nan 8.230 nan 0.000 0.454 171 P HA 0.199 nan 4.420 nan 0.000 0.287 171 P C 0.308 177.728 177.300 0.201 0.000 1.270 171 P CA -0.626 62.568 63.100 0.158 0.000 0.844 171 P CB 1.267 33.064 31.700 0.163 0.000 1.068 172 T N -1.311 113.324 114.554 0.135 0.000 2.904 172 T HA 0.283 4.633 4.350 0.000 0.000 0.267 172 T C 0.903 175.664 174.700 0.100 0.000 1.059 172 T CA 0.879 63.049 62.100 0.116 0.000 1.137 172 T CB -0.695 68.214 68.868 0.069 0.000 0.879 172 T HN 0.690 nan 8.240 nan 0.000 0.467 173 G N -1.374 107.485 108.800 0.099 0.000 2.466 173 G HA2 0.562 4.523 3.960 0.000 0.000 0.291 173 G HA3 0.562 4.523 3.960 0.000 0.000 0.291 173 G C -0.106 174.850 174.900 0.094 0.000 1.460 173 G CA -0.121 45.030 45.100 0.084 0.000 0.791 173 G HN 1.063 nan 8.290 nan 0.000 0.505 174 G N -0.218 108.634 108.800 0.086 0.000 2.877 174 G HA2 0.136 4.096 3.960 0.000 0.000 0.279 174 G HA3 0.136 4.096 3.960 0.000 0.000 0.279 174 G C -2.660 172.308 174.900 0.113 0.000 1.431 174 G CA -0.058 45.100 45.100 0.097 0.000 0.883 174 G HN 0.983 nan 8.290 nan 0.000 0.547 175 P HA 0.452 nan 4.420 nan 0.000 0.281 175 P C 0.760 178.146 177.300 0.145 0.000 1.286 175 P CA 0.841 64.015 63.100 0.123 0.000 0.772 175 P CB 0.963 32.734 31.700 0.118 0.000 0.862 176 G N 2.368 111.246 108.800 0.130 0.000 2.630 176 G HA2 0.554 4.514 3.960 0.000 0.000 0.223 176 G HA3 0.554 4.514 3.960 0.000 0.000 0.223 176 G C -0.963 173.952 174.900 0.026 0.000 1.434 176 G CA -0.528 44.651 45.100 0.131 0.000 1.057 176 G HN 0.370 nan 8.290 nan 0.000 0.570 177 V N -0.639 119.262 119.914 -0.022 0.000 2.841 177 V HA 0.738 4.858 4.120 0.000 0.000 0.310 177 V C -0.395 175.611 176.094 -0.148 0.000 1.090 177 V CA -0.531 61.645 62.300 -0.207 0.000 0.930 177 V CB 1.674 33.269 31.823 -0.380 0.000 1.014 177 V HN 1.217 nan 8.190 nan 0.000 0.425 178 A N 5.004 127.695 122.820 -0.216 0.000 2.385 178 A HA 0.882 5.202 4.320 0.000 0.000 0.290 178 A C -1.146 176.164 177.584 -0.457 0.000 1.094 178 A CA -0.313 51.534 52.037 -0.317 0.000 0.729 178 A CB 0.861 19.700 19.000 -0.268 0.000 1.194 178 A HN 0.728 nan 8.150 nan 0.000 0.442 179 I N 2.310 122.607 120.570 -0.456 0.000 2.406 179 I HA 0.446 4.616 4.170 0.000 0.000 0.290 179 I C -1.330 174.561 176.117 -0.377 0.000 0.999 179 I CA -0.460 60.648 61.300 -0.320 0.000 1.124 179 I CB 1.699 39.621 38.000 -0.131 0.000 1.289 179 I HN 0.570 nan 8.210 nan 0.000 0.441 180 F N 4.079 124.123 119.950 0.156 0.000 2.402 180 F HA 0.593 5.120 4.527 0.000 0.000 0.355 180 F C 0.973 176.859 175.800 0.144 0.000 1.123 180 F CA -0.687 57.420 58.000 0.179 0.000 1.021 180 F CB 1.636 40.729 39.000 0.155 0.000 1.160 180 F HN 0.665 nan 8.300 nan 0.000 0.451 181 G N 1.060 110.032 108.800 0.286 0.000 2.183 181 G HA2 0.320 4.281 3.960 0.000 0.000 0.168 181 G HA3 0.320 4.281 3.960 0.000 0.000 0.168 181 G C 0.473 175.457 174.900 0.140 0.000 1.008 181 G CA -0.172 45.047 45.100 0.199 0.000 0.677 181 G HN 1.588 nan 8.290 nan 0.000 0.498 182 G N -0.519 108.358 108.800 0.128 0.000 2.503 182 G HA2 0.471 4.431 3.960 0.000 0.000 0.235 182 G HA3 0.471 4.431 3.960 0.000 0.000 0.235 182 G C 1.268 176.214 174.900 0.076 0.000 1.179 182 G CA 1.556 46.713 45.100 0.095 0.000 0.944 182 G HN 2.703 nan 8.290 nan 0.000 0.580 183 G N -0.750 108.088 108.800 0.064 0.000 2.828 183 G HA2 0.312 4.272 3.960 0.000 0.000 0.463 183 G HA3 0.312 4.272 3.960 0.000 0.000 0.463 183 G C -1.782 173.150 174.900 0.053 0.000 1.394 183 G CA 0.531 45.663 45.100 0.054 0.000 0.862 183 G HN 1.502 nan 8.290 nan 0.000 0.540 184 P HA 0.358 nan 4.420 nan 0.000 0.266 184 P C 0.564 177.901 177.300 0.061 0.000 1.193 184 P CA -0.199 62.929 63.100 0.046 0.000 0.770 184 P CB 0.287 32.005 31.700 0.030 0.000 0.836 185 L N 4.337 125.604 121.223 0.072 0.000 2.439 185 L HA 0.273 4.613 4.340 0.000 0.000 0.269 185 L C -1.695 175.241 176.870 0.111 0.000 1.179 185 L CA -1.772 53.129 54.840 0.101 0.000 0.828 185 L CB 0.033 42.157 42.059 0.108 0.000 1.106 185 L HN 0.313 nan 8.230 nan 0.000 0.467 186 P HA -0.040 nan 4.420 nan 0.000 0.276 186 P C -0.713 176.770 177.300 0.303 0.000 1.261 186 P CA -0.395 62.777 63.100 0.119 0.000 0.800 186 P CB 0.373 32.117 31.700 0.074 0.000 1.066 187 W N -1.612 119.710 121.300 0.037 0.000 6.905 187 W HA -0.109 4.551 4.660 -0.000 0.000 0.419 187 W C -1.484 174.951 176.519 -0.140 0.000 1.653 187 W CA 0.029 57.331 57.345 -0.072 0.000 1.131 187 W CB -2.140 27.367 29.460 0.079 0.000 2.876 187 W HN 0.458 nan 8.180 nan 0.000 1.563 188 P HA -0.280 nan 4.420 nan 0.000 0.219 188 P C 1.902 179.155 177.300 -0.078 0.000 1.146 188 P CA 2.258 65.356 63.100 -0.003 0.000 0.808 188 P CB 0.032 31.716 31.700 -0.026 0.000 0.779 189 Q N -0.567 119.095 119.800 -0.229 0.000 2.234 189 Q HA -0.157 4.183 4.340 0.000 0.000 0.206 189 Q C 1.329 177.188 176.000 -0.235 0.000 0.980 189 Q CA 1.604 57.202 55.803 -0.341 0.000 0.869 189 Q CB -1.001 27.391 28.738 -0.577 0.000 0.912 189 Q HN 0.255 nan 8.270 nan 0.000 0.436 190 F N 1.230 121.203 119.950 0.039 0.000 2.553 190 F HA 0.144 4.671 4.527 -0.000 0.000 0.282 190 F C 2.370 178.133 175.800 -0.060 0.000 1.089 190 F CA 0.964 58.938 58.000 -0.045 0.000 1.411 190 F CB -0.748 38.172 39.000 -0.133 0.000 1.125 190 F HN 0.151 nan 8.300 nan 0.000 0.610 191 T N -2.345 112.295 114.554 0.144 0.000 3.148 191 T HA -0.037 4.313 4.350 0.000 0.000 0.253 191 T C 1.479 176.196 174.700 0.028 0.000 1.134 191 T CA 0.469 62.607 62.100 0.063 0.000 1.051 191 T CB -0.312 68.619 68.868 0.104 0.000 0.959 191 T HN 0.277 nan 8.240 nan 0.000 0.525 192 Q N 1.605 121.425 119.800 0.033 0.000 2.291 192 Q HA -0.044 4.296 4.340 0.000 0.000 0.206 192 Q C 1.943 177.947 176.000 0.007 0.000 0.976 192 Q CA 1.466 57.284 55.803 0.024 0.000 0.875 192 Q CB -0.068 28.681 28.738 0.018 0.000 0.927 192 Q HN 0.779 nan 8.270 nan 0.000 0.450 193 S N -0.875 114.814 115.700 -0.018 0.000 2.582 193 S HA 0.185 4.655 4.470 0.000 0.000 0.234 193 S C 0.427 174.944 174.600 -0.139 0.000 0.961 193 S CA -0.484 57.683 58.200 -0.055 0.000 0.953 193 S CB -0.140 63.029 63.200 -0.051 0.000 0.800 193 S HN 0.233 nan 8.310 nan 0.000 0.471 194 M N 3.589 123.088 119.600 -0.167 0.000 2.284 194 M HA 0.057 4.537 4.480 0.000 0.000 0.351 194 M C -0.840 175.194 176.300 -0.444 0.000 1.443 194 M CA 0.430 55.518 55.300 -0.354 0.000 1.031 194 M CB 0.278 32.659 32.600 -0.365 0.000 1.893 194 M HN 0.255 nan 8.290 nan 0.000 0.456 195 D N 4.345 124.343 120.400 -0.669 0.000 2.387 195 D HA 0.302 4.942 4.640 0.000 0.000 0.251 195 D C -1.365 174.479 176.300 -0.759 0.000 1.141 195 D CA 0.124 53.759 54.000 -0.607 0.000 0.987 195 D CB 0.580 40.987 40.800 -0.654 0.000 1.116 195 D HN 0.591 nan 8.370 nan 0.000 0.491 196 Y N -1.125 119.070 120.300 -0.175 0.000 2.470 196 Y HA 0.386 4.936 4.550 -0.000 0.000 0.341 196 Y C 0.003 175.990 175.900 0.144 0.000 1.021 196 Y CA -0.685 57.415 58.100 0.000 0.000 1.025 196 Y CB 2.787 41.236 38.460 -0.018 0.000 1.266 196 Y HN 0.183 nan 8.280 nan 0.000 0.448 197 T N 4.918 119.687 114.554 0.358 0.000 2.921 197 T HA 0.477 4.827 4.350 0.000 0.000 0.297 197 T C -2.972 171.838 174.700 0.183 0.000 1.013 197 T CA -2.212 60.046 62.100 0.263 0.000 0.990 197 T CB 1.311 70.343 68.868 0.273 0.000 1.023 197 T HN 0.165 nan 8.240 nan 0.000 0.447 198 P HA 0.187 nan 4.420 nan 0.000 0.267 198 P C -0.677 176.686 177.300 0.105 0.000 1.200 198 P CA -0.132 63.032 63.100 0.106 0.000 0.772 198 P CB 0.358 32.107 31.700 0.083 0.000 0.855 199 L N 2.756 124.046 121.223 0.112 0.000 2.281 199 L HA 0.217 4.557 4.340 0.000 0.000 0.285 199 L C -0.032 176.922 176.870 0.141 0.000 1.074 199 L CA -0.622 54.305 54.840 0.145 0.000 0.817 199 L CB 0.697 42.866 42.059 0.183 0.000 1.168 199 L HN 0.087 nan 8.230 nan 0.000 0.434 200 V N 3.520 123.526 119.914 0.154 0.000 2.432 200 V HA 0.369 4.490 4.120 0.000 0.000 0.275 200 V C 0.694 176.845 176.094 0.094 0.000 1.043 200 V CA -0.737 61.626 62.300 0.105 0.000 0.925 200 V CB 1.331 33.199 31.823 0.075 0.000 0.985 200 V HN 0.858 nan 8.190 nan 0.000 0.466 201 A N 6.350 129.198 122.820 0.048 0.000 2.492 201 A HA 0.480 4.800 4.320 0.000 0.000 0.254 201 A C 0.179 177.717 177.584 -0.076 0.000 1.091 201 A CA -0.170 51.876 52.037 0.015 0.000 0.768 201 A CB -0.016 18.996 19.000 0.020 0.000 1.028 201 A HN 0.657 nan 8.150 nan 0.000 0.498 202 K N 2.078 122.390 120.400 -0.146 0.000 2.207 202 K HA 0.480 4.800 4.320 0.000 0.000 0.255 202 K C 0.548 177.069 176.600 -0.132 0.000 0.941 202 K CA -0.244 55.896 56.287 -0.245 0.000 0.825 202 K CB 1.672 33.830 32.500 -0.570 0.000 1.119 202 K HN 0.799 nan 8.250 nan 0.000 0.430 203 G N -0.252 108.490 108.800 -0.097 0.000 2.484 203 G HA2 0.271 4.231 3.960 0.000 0.000 0.235 203 G HA3 0.271 4.231 3.960 0.000 0.000 0.235 203 G C 0.711 175.595 174.900 -0.027 0.000 1.282 203 G CA 0.394 45.471 45.100 -0.039 0.000 0.857 203 G HN 0.740 nan 8.290 nan 0.000 0.571 204 G N -0.850 107.976 108.800 0.044 0.000 2.412 204 G HA2 0.036 3.996 3.960 0.000 0.000 0.297 204 G HA3 0.036 3.996 3.960 0.000 0.000 0.297 204 G C 0.351 175.188 174.900 -0.105 0.000 0.965 204 G CA 1.066 46.231 45.100 0.109 0.000 1.134 204 G HN 1.588 nan 8.290 nan 0.000 0.511 205 S N -0.658 114.839 115.700 -0.339 0.000 2.616 205 S HA 0.592 5.062 4.470 0.000 0.000 0.276 205 S C -0.934 173.426 174.600 -0.401 0.000 1.159 205 S CA -0.294 57.702 58.200 -0.340 0.000 1.000 205 S CB 1.435 64.595 63.200 -0.067 0.000 1.117 205 S HN -0.018 nan 8.310 nan 0.000 0.464 206 P HA 0.018 nan 4.420 nan 0.000 0.216 206 P C 0.653 177.831 177.300 -0.204 0.000 1.150 206 P CA 1.172 64.082 63.100 -0.318 0.000 0.843 206 P CB 0.009 31.552 31.700 -0.261 0.000 0.787 207 A N -0.451 122.284 122.820 -0.142 0.000 2.407 207 A HA 0.014 4.334 4.320 0.000 0.000 0.257 207 A C -0.229 177.198 177.584 -0.262 0.000 1.131 207 A CA 0.177 52.052 52.037 -0.270 0.000 0.803 207 A CB -0.678 18.172 19.000 -0.250 0.000 1.083 207 A HN 0.260 nan 8.150 nan 0.000 0.512 208 H N -1.211 117.756 119.070 -0.172 0.000 2.556 208 H HA 0.508 5.064 4.556 0.000 0.000 0.310 208 H C -1.573 173.553 175.328 -0.337 0.000 1.057 208 H CA 0.206 56.215 56.048 -0.066 0.000 1.264 208 H CB 0.652 30.500 29.762 0.144 0.000 1.404 208 H HN 0.551 nan 8.280 nan 0.000 0.462 209 Y N 3.099 123.492 120.300 0.155 0.000 2.462 209 Y HA 0.457 5.007 4.550 -0.000 0.000 0.346 209 Y C -0.008 175.911 175.900 0.032 0.000 0.976 209 Y CA -1.093 57.040 58.100 0.054 0.000 1.044 209 Y CB 1.562 40.037 38.460 0.025 0.000 1.230 209 Y HN 0.473 nan 8.280 nan 0.000 0.455 210 I N -1.700 118.949 120.570 0.133 0.000 3.191 210 I HA 0.834 5.004 4.170 0.000 0.000 0.313 210 I C -1.105 175.026 176.117 0.024 0.000 1.193 210 I CA -1.051 60.276 61.300 0.045 0.000 0.968 210 I CB 2.637 40.605 38.000 -0.054 0.000 1.262 210 I HN 0.354 nan 8.210 nan 0.000 0.456 211 S N 1.719 117.425 115.700 0.010 0.000 2.473 211 S HA 0.856 5.326 4.470 0.000 0.000 0.307 211 S C -0.441 174.151 174.600 -0.014 0.000 1.094 211 S CA -0.657 57.545 58.200 0.003 0.000 1.070 211 S CB 1.710 64.922 63.200 0.020 0.000 1.019 211 S HN 0.911 nan 8.310 nan 0.000 0.480 212 A N 2.166 124.970 122.820 -0.027 0.000 2.342 212 A HA 0.596 4.916 4.320 0.000 0.000 0.323 212 A C 0.986 178.564 177.584 -0.009 0.000 1.125 212 A CA -0.904 51.119 52.037 -0.024 0.000 0.785 212 A CB 0.821 19.788 19.000 -0.054 0.000 1.221 212 A HN 0.969 nan 8.150 nan 0.000 0.463 213 R N 1.123 121.625 120.500 0.004 0.000 2.153 213 R HA 0.082 4.422 4.340 0.000 0.000 0.218 213 R C 0.405 176.705 176.300 -0.001 0.000 1.072 213 R CA 1.604 57.707 56.100 0.005 0.000 0.990 213 R CB 0.006 30.314 30.300 0.014 0.000 0.889 213 R HN 0.923 nan 8.270 nan 0.000 0.452 214 S N -0.557 115.142 115.700 -0.002 0.000 2.552 214 S HA 0.443 4.913 4.470 0.000 0.000 0.272 214 S C -1.052 173.542 174.600 -0.010 0.000 1.150 214 S CA -1.075 57.122 58.200 -0.006 0.000 0.849 214 S CB 1.435 64.636 63.200 0.002 0.000 1.113 214 S HN 0.164 nan 8.310 nan 0.000 0.458 215 I N 2.121 122.680 120.570 -0.019 0.000 2.404 215 I HA 0.497 4.667 4.170 0.000 0.000 0.293 215 I C -0.071 176.040 176.117 -0.010 0.000 0.992 215 I CA -0.676 60.612 61.300 -0.021 0.000 1.149 215 I CB 1.971 39.939 38.000 -0.053 0.000 1.315 215 I HN 0.565 nan 8.210 nan 0.000 0.446 216 K N 4.582 124.987 120.400 0.009 0.000 2.207 216 K HA 0.649 4.969 4.320 0.000 0.000 0.255 216 K C -1.238 175.373 176.600 0.018 0.000 0.941 216 K CA -0.690 55.603 56.287 0.010 0.000 0.825 216 K CB 2.531 35.040 32.500 0.016 0.000 1.119 216 K HN 0.275 nan 8.250 nan 0.000 0.430 217 V N 4.703 124.622 119.914 0.008 0.000 2.384 217 V HA 0.110 4.230 4.120 0.000 0.000 0.287 217 V C 0.514 176.595 176.094 -0.021 0.000 1.020 217 V CA -0.324 61.982 62.300 0.010 0.000 0.850 217 V CB 1.030 32.864 31.823 0.018 0.000 0.987 217 V HN 0.904 nan 8.190 nan 0.000 0.436 218 E N 3.658 123.834 120.200 -0.041 0.000 3.287 218 E HA -0.302 4.048 4.350 0.000 0.000 0.405 218 E C 0.648 177.229 176.600 -0.033 0.000 1.541 218 E CA 2.091 58.455 56.400 -0.060 0.000 1.405 218 E CB -0.676 28.976 29.700 -0.080 0.000 1.576 218 E HN 0.802 nan 8.360 nan 0.000 0.474 219 N N 0.826 119.510 118.700 -0.028 0.000 2.214 219 N HA 0.072 4.812 4.740 0.000 0.000 0.214 219 N C -0.137 175.368 175.510 -0.009 0.000 1.132 219 N CA 0.630 53.670 53.050 -0.016 0.000 0.856 219 N CB 1.071 39.550 38.487 -0.015 0.000 1.020 219 N HN 0.345 nan 8.380 nan 0.000 0.509 220 T N -0.331 114.217 114.554 -0.010 0.000 2.971 220 T HA 0.288 4.638 4.350 0.000 0.000 0.304 220 T C -0.577 174.118 174.700 -0.007 0.000 1.038 220 T CA -0.916 61.179 62.100 -0.008 0.000 1.007 220 T CB 1.806 70.668 68.868 -0.010 0.000 1.055 220 T HN 0.182 nan 8.240 nan 0.000 0.451 221 R N 3.645 124.142 120.500 -0.005 0.000 2.537 221 R HA 0.488 4.828 4.340 0.000 0.000 0.280 221 R C -0.729 175.564 176.300 -0.012 0.000 1.058 221 R CA -0.432 55.664 56.100 -0.006 0.000 1.057 221 R CB 0.309 30.607 30.300 -0.004 0.000 0.973 221 R HN 0.447 nan 8.270 nan 0.000 0.438 222 V N 6.581 126.483 119.914 -0.019 0.000 2.508 222 V HA 0.186 4.306 4.120 0.000 0.000 0.281 222 V C -1.644 174.436 176.094 -0.024 0.000 1.041 222 V CA -1.488 60.795 62.300 -0.028 0.000 1.016 222 V CB 1.031 32.825 31.823 -0.048 0.000 0.984 222 V HN 0.884 nan 8.190 nan 0.000 0.478 223 P HA 0.304 nan 4.420 nan 0.000 0.263 223 P C -0.712 176.579 177.300 -0.015 0.000 1.601 223 P CA 0.352 63.444 63.100 -0.014 0.000 1.161 223 P CB -0.088 31.606 31.700 -0.010 0.000 1.730 224 I N 1.128 121.688 120.570 -0.016 0.000 2.533 224 I HA 0.176 4.346 4.170 0.000 0.000 0.290 224 I C 0.590 176.701 176.117 -0.011 0.000 1.056 224 I CA -1.050 60.241 61.300 -0.016 0.000 1.057 224 I CB 2.113 40.099 38.000 -0.024 0.000 1.240 224 I HN 0.100 nan 8.210 nan 0.000 0.423 225 S N 3.972 119.667 115.700 -0.008 0.000 2.631 225 S HA -0.089 4.381 4.470 0.000 0.000 0.311 225 S C 0.386 174.983 174.600 -0.005 0.000 1.254 225 S CA -0.356 57.841 58.200 -0.005 0.000 1.039 225 S CB 0.173 63.371 63.200 -0.004 0.000 0.753 225 S HN 0.627 nan 8.310 nan 0.000 0.494 226 E N 2.230 122.429 120.200 -0.003 0.000 3.622 226 E HA -0.210 4.140 4.350 0.000 0.000 0.240 226 E C 0.626 177.224 176.600 -0.003 0.000 0.889 226 E CA 0.747 57.146 56.400 -0.002 0.000 0.938 226 E CB -0.483 29.216 29.700 -0.001 0.000 0.871 226 E HN 0.712 nan 8.360 nan 0.000 0.576 227 R N 0.109 120.607 120.500 -0.003 0.000 3.776 227 R HA -0.282 4.058 4.340 0.000 0.000 0.312 227 R C 0.810 177.106 176.300 -0.006 0.000 1.181 227 R CA 0.691 56.788 56.100 -0.004 0.000 0.836 227 R CB -2.007 28.291 30.300 -0.004 0.000 1.324 227 R HN 0.494 nan 8.270 nan 0.000 0.501 228 A N 0.196 123.012 122.820 -0.007 0.000 2.044 228 A HA 0.199 4.519 4.320 0.000 0.000 0.213 228 A C 1.066 178.645 177.584 -0.008 0.000 1.169 228 A CA 0.122 52.155 52.037 -0.006 0.000 0.724 228 A CB 0.364 19.361 19.000 -0.005 0.000 0.840 228 A HN 0.187 nan 8.150 nan 0.000 0.463 229 L N 1.811 123.028 121.223 -0.011 0.000 2.382 229 L HA 0.309 4.649 4.340 0.000 0.000 0.259 229 L C 1.123 177.988 176.870 -0.009 0.000 1.291 229 L CA -0.565 54.267 54.840 -0.014 0.000 1.176 229 L CB -0.409 41.638 42.059 -0.020 0.000 1.373 229 L HN 0.385 nan 8.230 nan 0.000 0.426 230 A N 1.662 124.478 122.820 -0.007 0.000 2.264 230 A HA 0.102 4.422 4.320 0.000 0.000 0.291 230 A C 0.662 178.242 177.584 -0.005 0.000 1.253 230 A CA 0.025 52.057 52.037 -0.009 0.000 0.865 230 A CB -0.076 18.913 19.000 -0.018 0.000 1.129 230 A HN 0.488 nan 8.150 nan 0.000 0.513 231 T N 0.339 114.887 114.554 -0.010 0.000 2.737 231 T HA 0.479 4.829 4.350 0.000 0.000 0.296 231 T C 1.079 175.772 174.700 -0.013 0.000 0.922 231 T CA 0.913 63.010 62.100 -0.005 0.000 1.079 231 T CB 0.362 69.225 68.868 -0.007 0.000 0.892 231 T HN 2.052 nan 8.240 nan 0.000 0.514 232 G N 2.882 111.695 108.800 0.022 0.000 2.143 232 G HA2 -0.235 3.725 3.960 0.000 0.000 0.248 232 G HA3 -0.235 3.725 3.960 0.000 0.000 0.248 232 G C 1.068 176.035 174.900 0.112 0.000 0.991 232 G CA 0.012 45.154 45.100 0.070 0.000 0.689 232 G HN 1.054 nan 8.290 nan 0.000 0.522 233 G N -1.078 107.757 108.800 0.057 0.000 2.598 233 G HA2 0.315 4.275 3.960 0.000 0.000 0.215 233 G HA3 0.315 4.275 3.960 0.000 0.000 0.215 233 G C 0.633 175.573 174.900 0.067 0.000 1.131 233 G CA 1.028 46.161 45.100 0.055 0.000 0.785 233 G HN 1.023 nan 8.290 nan 0.000 0.539 234 V N 1.472 121.415 119.914 0.048 0.000 2.347 234 V HA 0.465 4.585 4.120 0.000 0.000 0.280 234 V C 0.005 176.068 176.094 -0.051 0.000 1.021 234 V CA -0.587 61.688 62.300 -0.042 0.000 0.847 234 V CB 1.448 33.175 31.823 -0.159 0.000 0.990 234 V HN 0.338 nan 8.190 nan 0.000 0.444 235 M N 6.002 125.537 119.600 -0.108 0.000 2.423 235 M HA 0.609 5.089 4.480 0.000 0.000 0.335 235 M C -1.309 174.856 176.300 -0.226 0.000 1.177 235 M CA -0.473 54.657 55.300 -0.282 0.000 1.038 235 M CB 1.395 33.794 32.600 -0.335 0.000 1.641 235 M HN 0.485 nan 8.290 nan 0.000 0.455 236 L N 3.356 124.466 121.223 -0.188 0.000 2.307 236 L HA 0.609 4.949 4.340 0.000 0.000 0.282 236 L C -0.186 176.651 176.870 -0.055 0.000 1.051 236 L CA -0.487 54.303 54.840 -0.085 0.000 0.804 236 L CB 1.564 43.671 42.059 0.080 0.000 1.197 236 L HN 0.869 nan 8.230 nan 0.000 0.431 237 S N -0.063 115.607 115.700 -0.050 0.000 2.541 237 S HA 0.448 4.918 4.470 0.000 0.000 0.271 237 S C -0.020 174.567 174.600 -0.021 0.000 1.133 237 S CA -0.330 57.845 58.200 -0.040 0.000 0.876 237 S CB 2.001 65.161 63.200 -0.067 0.000 1.105 237 S HN 0.658 nan 8.310 nan 0.000 0.470 238 T N 0.678 115.230 114.554 -0.003 0.000 3.243 238 T HA 0.392 4.742 4.350 0.000 0.000 0.264 238 T C 0.970 175.709 174.700 0.065 0.000 1.000 238 T CA -0.532 61.596 62.100 0.048 0.000 0.901 238 T CB -0.234 68.664 68.868 0.049 0.000 1.083 238 T HN 0.620 nan 8.240 nan 0.000 0.559 239 R N 0.119 120.615 120.500 -0.006 0.000 2.128 239 R HA 0.408 4.748 4.340 0.000 0.000 0.211 239 R C 0.269 176.525 176.300 -0.072 0.000 1.067 239 R CA 0.408 56.491 56.100 -0.029 0.000 1.010 239 R CB 0.170 30.443 30.300 -0.046 0.000 0.922 239 R HN 0.350 nan 8.270 nan 0.000 0.457 240 L N 0.835 121.969 121.223 -0.148 0.000 2.342 240 L HA 0.343 4.683 4.340 0.000 0.000 0.271 240 L C -1.905 174.825 176.870 -0.235 0.000 1.008 240 L CA -2.243 52.407 54.840 -0.315 0.000 0.818 240 L CB 2.228 43.882 42.059 -0.674 0.000 1.296 240 L HN -0.185 nan 8.230 nan 0.000 0.427 241 P HA -0.048 nan 4.420 nan 0.000 0.222 241 P C -0.589 176.741 177.300 0.051 0.000 1.153 241 P CA 1.019 64.137 63.100 0.029 0.000 0.798 241 P CB 0.006 31.792 31.700 0.143 0.000 0.796 242 Y N -2.231 118.141 120.300 0.121 0.000 2.654 242 Y HA 0.621 5.171 4.550 0.000 0.000 0.328 242 Y C -0.004 175.939 175.900 0.071 0.000 1.174 242 Y CA -1.999 56.163 58.100 0.103 0.000 1.293 242 Y CB -0.154 38.468 38.460 0.270 0.000 1.464 242 Y HN -0.452 nan 8.280 nan 0.000 0.559 243 V N 2.337 122.442 119.914 0.319 0.000 2.472 243 V HA 0.324 4.444 4.120 0.000 0.000 0.290 243 V C -0.135 176.185 176.094 0.378 0.000 1.037 243 V CA -0.837 61.612 62.300 0.248 0.000 0.908 243 V CB 1.133 33.129 31.823 0.289 0.000 0.985 243 V HN 0.609 nan 8.190 nan 0.000 0.454 244 L N 5.679 127.044 121.223 0.238 0.000 2.307 244 L HA 0.613 4.953 4.340 0.000 0.000 0.282 244 L C -0.664 176.306 176.870 0.168 0.000 1.051 244 L CA -0.247 54.724 54.840 0.219 0.000 0.804 244 L CB 1.278 43.421 42.059 0.141 0.000 1.197 244 L HN 0.430 nan 8.230 nan 0.000 0.431 245 L N 3.068 124.398 121.223 0.177 0.000 2.410 245 L HA 0.552 4.892 4.340 0.000 0.000 0.270 245 L C -0.098 176.830 176.870 0.097 0.000 0.983 245 L CA -0.688 54.238 54.840 0.143 0.000 0.822 245 L CB 2.038 44.220 42.059 0.205 0.000 1.285 245 L HN 0.531 nan 8.230 nan 0.000 0.409 246 R N 1.307 121.844 120.500 0.062 0.000 2.734 246 R HA 0.128 4.468 4.340 0.000 0.000 0.266 246 R C 1.219 177.551 176.300 0.054 0.000 1.044 246 R CA 0.009 56.132 56.100 0.038 0.000 1.128 246 R CB 0.669 30.985 30.300 0.027 0.000 1.010 246 R HN 0.598 nan 8.270 nan 0.000 0.461 247 R N 1.428 121.944 120.500 0.027 0.000 2.112 247 R HA -0.210 4.130 4.340 0.000 0.000 0.242 247 R C 1.528 177.868 176.300 0.066 0.000 1.137 247 R CA 2.170 58.294 56.100 0.040 0.000 0.944 247 R CB -0.573 29.733 30.300 0.011 0.000 0.857 247 R HN 0.789 nan 8.270 nan 0.000 0.435 248 D N 0.315 120.738 120.400 0.039 0.000 2.354 248 D HA -0.104 4.536 4.640 0.000 0.000 0.216 248 D C 1.493 177.808 176.300 0.025 0.000 0.970 248 D CA 0.944 54.961 54.000 0.029 0.000 0.905 248 D CB -0.016 40.792 40.800 0.014 0.000 0.903 248 D HN 0.176 nan 8.370 nan 0.000 0.508 249 V N -0.934 119.003 119.914 0.038 0.000 3.307 249 V HA -0.016 4.104 4.120 0.000 0.000 0.244 249 V C 1.925 178.023 176.094 0.007 0.000 1.196 249 V CA -0.049 62.254 62.300 0.005 0.000 1.132 249 V CB -0.648 31.168 31.823 -0.011 0.000 0.875 249 V HN 0.048 nan 8.190 nan 0.000 0.468 250 Y N 1.906 122.171 120.300 -0.058 0.000 2.049 250 Y HA -0.276 4.274 4.550 0.000 0.000 0.277 250 Y C 2.798 178.663 175.900 -0.059 0.000 1.143 250 Y CA 2.496 60.559 58.100 -0.062 0.000 1.115 250 Y CB -0.164 38.283 38.460 -0.021 0.000 0.975 250 Y HN 0.024 nan 8.280 nan 0.000 0.487 251 R N -0.161 120.414 120.500 0.124 0.000 2.083 251 R HA -0.155 4.185 4.340 0.000 0.000 0.237 251 R C -0.699 175.548 176.300 -0.088 0.000 1.137 251 R CA 2.132 58.245 56.100 0.022 0.000 0.951 251 R CB -1.305 29.061 30.300 0.110 0.000 0.851 251 R HN 0.333 nan 8.270 nan 0.000 0.434 252 P HA -0.141 nan 4.420 nan 0.000 0.217 252 P C 1.197 178.430 177.300 -0.113 0.000 1.150 252 P CA 0.912 63.971 63.100 -0.068 0.000 0.832 252 P CB -0.047 31.626 31.700 -0.045 0.000 0.787 253 L N -0.601 120.506 121.223 -0.193 0.000 2.044 253 L HA -0.074 4.266 4.340 0.000 0.000 0.205 253 L C 2.239 178.951 176.870 -0.263 0.000 1.075 253 L CA 1.718 56.398 54.840 -0.267 0.000 0.747 253 L CB -1.158 40.632 42.059 -0.448 0.000 0.903 253 L HN -0.237 nan 8.230 nan 0.000 0.435 254 V N 0.167 119.855 119.914 -0.376 0.000 2.407 254 V HA -0.268 3.852 4.120 0.000 0.000 0.248 254 V C 2.202 178.255 176.094 -0.069 0.000 1.055 254 V CA 1.967 64.085 62.300 -0.303 0.000 1.049 254 V CB -0.778 30.695 31.823 -0.583 0.000 0.662 254 V HN 0.486 nan 8.190 nan 0.000 0.455 255 D N 0.342 120.699 120.400 -0.072 0.000 2.144 255 D HA -0.082 4.558 4.640 0.000 0.000 0.200 255 D C 2.215 178.532 176.300 0.029 0.000 0.978 255 D CA 1.521 55.521 54.000 -0.000 0.000 0.833 255 D CB -0.293 40.501 40.800 -0.009 0.000 0.961 255 D HN 0.443 nan 8.370 nan 0.000 0.470 256 A N 0.232 123.059 122.820 0.012 0.000 1.930 256 A HA -0.146 4.174 4.320 0.000 0.000 0.217 256 A C 2.075 179.697 177.584 0.063 0.000 1.175 256 A CA 0.816 52.865 52.037 0.021 0.000 0.627 256 A CB -0.900 18.099 19.000 -0.002 0.000 0.815 256 A HN 0.235 nan 8.150 nan 0.000 0.443 257 F N 1.866 121.782 119.950 -0.056 0.000 2.102 257 F HA -0.190 4.337 4.527 0.000 0.000 0.298 257 F C 2.779 178.584 175.800 0.008 0.000 1.105 257 F CA 2.470 60.462 58.000 -0.014 0.000 1.239 257 F CB -0.499 38.510 39.000 0.016 0.000 0.991 257 F HN 0.339 nan 8.300 nan 0.000 0.474 258 T N -2.202 112.506 114.554 0.257 0.000 2.867 258 T HA -0.122 4.228 4.350 0.000 0.000 0.268 258 T C 1.907 176.637 174.700 0.049 0.000 1.057 258 T CA 0.969 63.177 62.100 0.179 0.000 1.136 258 T CB -0.280 68.705 68.868 0.195 0.000 0.874 258 T HN 0.023 nan 8.240 nan 0.000 0.466 259 K N 1.824 122.240 120.400 0.028 0.000 2.103 259 K HA 0.368 4.688 4.320 0.000 0.000 0.204 259 K C 2.554 179.137 176.600 -0.029 0.000 1.052 259 K CA 1.188 57.478 56.287 0.004 0.000 0.945 259 K CB -1.090 31.415 32.500 0.008 0.000 0.722 259 K HN 0.517 nan 8.250 nan 0.000 0.443 260 A N 0.762 123.540 122.820 -0.070 0.000 2.014 260 A HA -0.067 4.253 4.320 0.000 0.000 0.218 260 A C 2.107 179.603 177.584 -0.147 0.000 1.163 260 A CA 0.805 52.777 52.037 -0.108 0.000 0.652 260 A CB -0.414 18.498 19.000 -0.147 0.000 0.808 260 A HN 0.204 nan 8.150 nan 0.000 0.449 261 L N 0.076 121.169 121.223 -0.217 0.000 1.989 261 L HA -0.106 4.234 4.340 0.000 0.000 0.211 261 L C 2.587 179.418 176.870 -0.066 0.000 1.071 261 L CA 2.416 57.137 54.840 -0.199 0.000 0.749 261 L CB -0.753 41.167 42.059 -0.231 0.000 0.890 261 L HN 0.310 nan 8.230 nan 0.000 0.431 262 A N -0.825 121.975 122.820 -0.033 0.000 2.121 262 A HA 0.113 4.433 4.320 0.000 0.000 0.218 262 A C 2.074 179.659 177.584 0.002 0.000 1.154 262 A CA 1.108 53.144 52.037 -0.001 0.000 0.679 262 A CB -0.975 18.036 19.000 0.018 0.000 0.795 262 A HN 0.542 nan 8.150 nan 0.000 0.458 263 A N -0.665 122.156 122.820 0.000 0.000 2.359 263 A HA 0.313 4.633 4.320 0.000 0.000 0.240 263 A C 0.801 178.412 177.584 0.046 0.000 1.306 263 A CA -0.180 51.866 52.037 0.014 0.000 0.898 263 A CB -0.237 18.768 19.000 0.007 0.000 0.956 263 A HN 0.674 nan 8.150 nan 0.000 0.497 269 A N 2.521 125.104 122.820 -0.394 0.000 2.269 269 A HA 1.026 5.346 4.320 0.000 0.000 0.327 269 A C -1.877 175.557 177.584 -0.249 0.000 1.112 269 A CA -1.435 50.311 52.037 -0.484 0.000 0.865 269 A CB 0.766 19.349 19.000 -0.695 0.000 1.227 269 A HN 0.431 nan 8.150 nan 0.000 0.498 270 P HA 0.267 nan 4.420 nan 0.000 0.270 270 P C -0.643 176.606 177.300 -0.084 0.000 1.223 270 P CA -0.169 62.864 63.100 -0.113 0.000 0.785 270 P CB 0.301 31.949 31.700 -0.086 0.000 0.923 271 V N 1.101 120.986 119.914 -0.049 0.000 2.488 271 V HA 0.350 4.470 4.120 0.000 0.000 0.277 271 V C 0.859 176.950 176.094 -0.005 0.000 1.046 271 V CA -0.517 61.769 62.300 -0.023 0.000 0.986 271 V CB 0.372 32.190 31.823 -0.008 0.000 0.989 271 V HN 0.763 nan 8.190 nan 0.000 0.475 272 A N 6.315 129.136 122.820 0.001 0.000 2.363 272 A HA 0.525 4.845 4.320 0.000 0.000 0.270 272 A C 0.318 177.991 177.584 0.150 0.000 1.121 272 A CA -0.419 51.636 52.037 0.030 0.000 0.800 272 A CB 0.254 19.181 19.000 -0.122 0.000 1.052 272 A HN 0.759 nan 8.150 nan 0.000 0.493 273 R N 1.746 122.358 120.500 0.187 0.000 2.255 273 R HA 0.477 4.817 4.340 0.000 0.000 0.326 273 R C -0.030 176.383 176.300 0.189 0.000 0.986 273 R CA -0.191 56.003 56.100 0.157 0.000 0.847 273 R CB 1.538 31.886 30.300 0.079 0.000 1.111 273 R HN 0.868 nan 8.270 nan 0.000 0.452 274 A N 3.824 126.684 122.820 0.066 0.000 2.450 274 A HA 0.322 4.642 4.320 0.000 0.000 0.255 274 A C 0.424 177.934 177.584 -0.124 0.000 1.096 274 A CA -0.413 51.513 52.037 -0.185 0.000 0.778 274 A CB 0.315 19.220 19.000 -0.160 0.000 1.031 274 A HN 0.568 nan 8.150 nan 0.000 0.494 275 V N 0.333 120.144 119.914 -0.171 0.000 3.229 275 V HA 0.648 4.768 4.120 0.000 0.000 0.310 275 V C 0.262 176.301 176.094 -0.092 0.000 1.206 275 V CA -1.333 60.913 62.300 -0.091 0.000 1.051 275 V CB 0.938 32.729 31.823 -0.053 0.000 1.183 275 V HN 0.845 nan 8.190 nan 0.000 0.466 276 K N 2.101 122.471 120.400 -0.050 0.000 2.402 276 K HA 0.329 4.649 4.320 0.000 0.000 0.279 276 K C -1.399 175.181 176.600 -0.035 0.000 1.082 276 K CA 0.192 56.458 56.287 -0.035 0.000 1.080 276 K CB -0.166 32.324 32.500 -0.017 0.000 0.899 276 K HN 0.907 nan 8.250 nan 0.000 0.469 277 P HA -0.016 nan 4.420 nan 0.000 0.257 277 P C -0.769 176.538 177.300 0.013 0.000 1.162 277 P CA 0.076 63.167 63.100 -0.014 0.000 0.762 277 P CB 0.347 32.040 31.700 -0.012 0.000 0.753 278 V N 3.414 123.361 119.914 0.055 0.000 2.398 278 V HA 0.575 4.695 4.120 0.000 0.000 0.286 278 V C 0.976 177.097 176.094 0.045 0.000 1.026 278 V CA -0.662 61.678 62.300 0.066 0.000 0.868 278 V CB 1.191 33.081 31.823 0.111 0.000 0.982 278 V HN 0.969 nan 8.190 nan 0.000 0.443 279 A N 6.987 129.778 122.820 -0.048 0.000 2.407 279 A HA 0.549 4.869 4.320 0.000 0.000 0.248 279 A C -0.902 176.474 177.584 -0.347 0.000 1.082 279 A CA -0.882 51.053 52.037 -0.170 0.000 0.785 279 A CB 0.069 18.994 19.000 -0.125 0.000 1.020 279 A HN 0.771 nan 8.150 nan 0.000 0.489 280 P HA 0.156 nan 4.420 nan 0.000 0.257 280 P C -0.559 176.417 177.300 -0.541 0.000 1.281 280 P CA -0.000 62.756 63.100 -0.574 0.000 0.826 280 P CB -0.063 31.268 31.700 -0.615 0.000 1.237 281 F N 1.401 121.252 119.950 -0.166 0.000 2.443 281 F HA 0.428 4.955 4.527 0.000 0.000 0.353 281 F C 1.641 177.403 175.800 -0.064 0.000 1.101 281 F CA -0.374 57.551 58.000 -0.124 0.000 1.226 281 F CB -0.021 38.910 39.000 -0.115 0.000 1.140 281 F HN -0.105 nan 8.300 nan 0.000 0.557 282 E N 4.542 124.828 120.200 0.143 0.000 2.723 282 E HA 0.564 4.914 4.350 0.000 0.000 0.219 282 E C -0.612 176.039 176.600 0.084 0.000 1.060 282 E CA -0.205 56.249 56.400 0.089 0.000 1.291 282 E CB -0.080 nan 29.700 nan 0.000 1.265 282 E HN 0.698 nan 8.360 nan 0.000 0.438 283 L N 0.076 121.335 121.223 0.059 0.000 2.847 283 L HA 0.306 4.646 4.340 0.000 0.000 0.243 283 L C -1.490 175.306 176.870 -0.123 0.000 0.978 283 L CA -0.637 54.186 54.840 -0.029 0.000 1.030 283 L CB 1.040 43.147 42.059 0.078 0.000 1.351 283 L HN 0.427 nan 8.230 nan 0.000 0.512 284 c N 1.276 119.682 118.600 -0.324 0.000 2.848 284 c HA 0.831 5.401 4.570 0.000 0.000 0.317 284 c C -0.810 172.893 174.090 -0.646 0.000 1.260 284 c CA -0.841 55.310 56.329 -0.297 0.000 1.656 284 c CB 2.196 44.636 42.510 -0.116 0.000 2.174 284 c HN 0.573 nan 8.230 nan 0.000 0.479 285 Y N -0.383 119.886 120.300 -0.051 0.000 2.597 285 Y HA 0.431 4.981 4.550 0.000 0.000 0.340 285 Y C -0.555 175.295 175.900 -0.083 0.000 1.097 285 Y CA -0.736 57.329 58.100 -0.059 0.000 1.037 285 Y CB 1.023 39.439 38.460 -0.074 0.000 1.305 285 Y HN 0.737 nan 8.280 nan 0.000 0.463 286 D N -0.194 120.271 120.400 0.109 0.000 2.249 286 D HA 0.176 4.816 4.640 0.000 0.000 0.246 286 D C 0.916 177.217 176.300 0.001 0.000 1.114 286 D CA -0.142 53.880 54.000 0.035 0.000 0.854 286 D CB 1.491 42.310 40.800 0.031 0.000 1.132 286 D HN 0.645 nan 8.370 nan 0.000 0.461 287 T N 1.359 115.890 114.554 -0.039 0.000 2.915 287 T HA -0.157 4.193 4.350 0.000 0.000 0.269 287 T C 1.436 176.133 174.700 -0.005 0.000 1.071 287 T CA 0.828 62.871 62.100 -0.094 0.000 1.132 287 T CB -0.219 68.645 68.868 -0.007 0.000 0.878 287 T HN 0.418 nan 8.240 nan 0.000 0.479 288 K N 1.447 121.858 120.400 0.018 0.000 2.442 288 K HA -0.002 4.318 4.320 0.000 0.000 0.198 288 K C 2.248 178.854 176.600 0.010 0.000 1.042 288 K CA 1.406 57.708 56.287 0.025 0.000 0.958 288 K CB -0.152 32.361 32.500 0.023 0.000 0.766 288 K HN 0.672 nan 8.250 nan 0.000 0.474 289 T N -2.055 112.501 114.554 0.002 0.000 3.069 289 T HA 0.230 4.580 4.350 0.000 0.000 0.252 289 T C 0.380 175.061 174.700 -0.032 0.000 1.053 289 T CA -0.353 61.743 62.100 -0.006 0.000 0.964 289 T CB 0.004 68.882 68.868 0.018 0.000 1.005 289 T HN -0.092 nan 8.240 nan 0.000 0.532 290 L N 1.951 123.147 121.223 -0.045 0.000 2.307 290 L HA 0.685 5.025 4.340 0.000 0.000 0.282 290 L C 1.124 178.032 176.870 0.062 0.000 1.051 290 L CA -1.140 53.677 54.840 -0.039 0.000 0.804 290 L CB 1.198 43.143 42.059 -0.190 0.000 1.197 290 L HN 0.261 nan 8.230 nan 0.000 0.431 291 G N 2.021 110.871 108.800 0.082 0.000 2.616 291 G HA2 0.317 4.277 3.960 0.000 0.000 0.268 291 G HA3 0.317 4.277 3.960 0.000 0.000 0.268 291 G C -0.710 174.336 174.900 0.244 0.000 1.213 291 G CA -0.551 44.596 45.100 0.079 0.000 0.926 291 G HN 0.767 nan 8.290 nan 0.000 0.523 292 N N -0.006 118.800 118.700 0.176 0.000 2.296 292 N HA 0.369 5.109 4.740 0.000 0.000 0.294 292 N C -0.547 175.057 175.510 0.156 0.000 1.033 292 N CA -0.802 52.346 53.050 0.165 0.000 0.839 292 N CB 1.936 40.475 38.487 0.087 0.000 1.395 292 N HN 0.802 nan 8.380 nan 0.000 0.479 293 N N 0.579 119.372 118.700 0.155 0.000 2.831 293 N HA 0.457 5.197 4.740 0.000 0.000 0.276 293 N C -2.425 173.077 175.510 -0.013 0.000 1.416 293 N CA -1.660 51.465 53.050 0.124 0.000 0.799 293 N CB 1.668 40.331 38.487 0.293 0.000 1.554 293 N HN 0.025 nan 8.380 nan 0.000 0.541 294 P HA 0.001 nan 4.420 nan 0.000 0.221 294 P C 1.283 178.483 177.300 -0.167 0.000 1.145 294 P CA 1.206 64.149 63.100 -0.262 0.000 0.795 294 P CB -0.272 31.067 31.700 -0.601 0.000 0.775 295 G N -1.728 107.003 108.800 -0.115 0.000 2.744 295 G HA2 0.317 4.277 3.960 0.000 0.000 0.211 295 G HA3 0.317 4.277 3.960 0.000 0.000 0.211 295 G C 0.838 175.699 174.900 -0.064 0.000 1.143 295 G CA 0.527 45.577 45.100 -0.085 0.000 0.788 295 G HN 0.581 nan 8.290 nan 0.000 0.534 296 G N -0.873 107.884 108.800 -0.071 0.000 2.418 296 G HA2 -0.158 3.802 3.960 0.000 0.000 0.206 296 G HA3 -0.158 3.802 3.960 0.000 0.000 0.206 296 G C -0.493 174.375 174.900 -0.052 0.000 1.202 296 G CA -0.581 44.440 45.100 -0.131 0.000 1.061 296 G HN 0.182 nan 8.290 nan 0.000 0.563 297 Y N 0.509 120.835 120.300 0.043 0.000 2.497 297 Y HA 0.385 4.935 4.550 0.000 0.000 0.334 297 Y C 0.905 176.860 175.900 0.091 0.000 1.199 297 Y CA -0.254 57.890 58.100 0.075 0.000 1.425 297 Y CB 0.660 39.154 38.460 0.055 0.000 1.291 297 Y HN 0.514 nan 8.280 nan 0.000 0.562 298 W N 6.957 128.337 121.300 0.134 0.000 2.510 298 W HA 0.463 5.123 4.660 0.000 0.000 0.388 298 W C -1.193 175.306 176.519 -0.033 0.000 1.092 298 W CA -0.527 56.832 57.345 0.023 0.000 1.562 298 W CB -0.317 29.141 29.460 -0.004 0.000 1.603 298 W HN 0.342 nan 8.180 nan 0.000 0.396 299 V N 3.892 123.732 119.914 -0.124 0.000 3.159 299 V HA 0.671 4.791 4.120 0.000 0.000 0.308 299 V C -2.626 173.248 176.094 -0.367 0.000 1.190 299 V CA -2.973 59.202 62.300 -0.210 0.000 1.037 299 V CB 1.559 33.356 31.823 -0.043 0.000 1.060 299 V HN 0.150 nan 8.190 nan 0.000 0.437 300 P HA 0.213 nan 4.420 nan 0.000 0.268 300 P C -0.717 176.493 177.300 -0.150 0.000 1.205 300 P CA 0.070 62.939 63.100 -0.384 0.000 0.771 300 P CB 0.156 31.583 31.700 -0.455 0.000 0.858 301 N N 1.201 119.822 118.700 -0.131 0.000 2.513 301 N HA 0.150 4.890 4.740 0.000 0.000 0.268 301 N C -0.723 174.829 175.510 0.070 0.000 1.180 301 N CA 0.143 53.179 53.050 -0.024 0.000 0.948 301 N CB 0.296 38.743 38.487 -0.067 0.000 1.083 301 N HN 0.068 nan 8.380 nan 0.000 0.455 302 V N 3.757 123.767 119.914 0.162 0.000 2.444 302 V HA 0.415 4.535 4.120 0.000 0.000 0.294 302 V C -0.138 176.057 176.094 0.167 0.000 1.022 302 V CA -0.707 61.704 62.300 0.185 0.000 0.850 302 V CB 1.486 33.498 31.823 0.314 0.000 0.992 302 V HN 0.400 nan 8.190 nan 0.000 0.426 303 L N 5.650 126.944 121.223 0.119 0.000 2.333 303 L HA 0.544 4.884 4.340 0.000 0.000 0.280 303 L C -0.774 176.151 176.870 0.090 0.000 1.004 303 L CA -0.475 54.442 54.840 0.130 0.000 0.820 303 L CB 1.731 43.849 42.059 0.098 0.000 1.247 303 L HN 0.380 nan 8.230 nan 0.000 0.416 304 L N 3.693 124.977 121.223 0.103 0.000 2.260 304 L HA 0.264 4.604 4.340 0.000 0.000 0.289 304 L C 0.348 177.256 176.870 0.064 0.000 1.057 304 L CA 0.026 54.883 54.840 0.028 0.000 0.811 304 L CB 0.645 42.658 42.059 -0.076 0.000 1.184 304 L HN 0.521 nan 8.230 nan 0.000 0.429 305 E N 5.075 125.301 120.200 0.044 0.000 1.893 305 E HA 0.223 4.573 4.350 0.000 0.000 0.269 305 E C -0.603 176.030 176.600 0.055 0.000 1.129 305 E CA -0.227 56.212 56.400 0.064 0.000 0.904 305 E CB 0.352 30.081 29.700 0.049 0.000 1.077 305 E HN 0.465 nan 8.360 nan 0.000 0.407 306 L N 2.159 123.428 121.223 0.078 0.000 2.417 306 L HA 0.133 4.473 4.340 0.000 0.000 0.268 306 L C 0.557 177.484 176.870 0.096 0.000 1.158 306 L CA -0.768 54.107 54.840 0.058 0.000 0.819 306 L CB 0.397 42.474 42.059 0.031 0.000 1.112 306 L HN 0.312 nan 8.230 nan 0.000 0.458 307 D N 2.003 122.447 120.400 0.074 0.000 2.658 307 D HA 0.198 4.838 4.640 0.000 0.000 0.230 307 D C 0.919 177.295 176.300 0.127 0.000 1.118 307 D CA 1.614 55.664 54.000 0.084 0.000 0.848 307 D CB 0.890 41.732 40.800 0.071 0.000 1.160 307 D HN 0.823 nan 8.370 nan 0.000 0.497 308 G N 1.138 110.006 108.800 0.114 0.000 2.367 308 G HA2 -0.019 3.941 3.960 0.000 0.000 0.181 308 G HA3 -0.019 3.941 3.960 0.000 0.000 0.181 308 G C 0.988 175.954 174.900 0.110 0.000 1.000 308 G CA 0.209 45.388 45.100 0.131 0.000 0.693 308 G HN 1.224 nan 8.290 nan 0.000 0.480 309 G N -1.009 107.853 108.800 0.104 0.000 2.179 309 G HA2 -0.042 3.918 3.960 0.000 0.000 0.260 309 G HA3 -0.042 3.918 3.960 0.000 0.000 0.260 309 G C 0.263 175.218 174.900 0.092 0.000 0.977 309 G CA 1.045 46.194 45.100 0.081 0.000 0.641 309 G HN 1.701 nan 8.290 nan 0.000 0.533 310 S N 0.776 116.563 115.700 0.145 0.000 2.503 310 S HA 0.591 5.061 4.470 0.000 0.000 0.301 310 S C -0.761 174.019 174.600 0.301 0.000 1.087 310 S CA -0.706 57.597 58.200 0.171 0.000 1.042 310 S CB 1.494 64.772 63.200 0.130 0.000 1.043 310 S HN 0.293 nan 8.310 nan 0.000 0.489 311 D N 1.619 122.170 120.400 0.251 0.000 2.225 311 D HA 0.168 4.808 4.640 0.000 0.000 0.249 311 D C -0.723 175.819 176.300 0.403 0.000 1.052 311 D CA -0.296 53.864 54.000 0.267 0.000 0.909 311 D CB 0.602 41.500 40.800 0.164 0.000 1.186 311 D HN 0.478 nan 8.370 nan 0.000 0.431 312 W N 2.134 123.503 121.300 0.115 0.000 2.317 312 W HA 0.519 5.179 4.660 0.000 0.000 0.327 312 W C -1.024 175.580 176.519 0.141 0.000 1.036 312 W CA -1.176 56.239 57.345 0.116 0.000 1.419 312 W CB 0.370 29.714 29.460 -0.194 0.000 1.253 312 W HN 0.268 nan 8.180 nan 0.000 0.392 313 A N 7.516 130.549 122.820 0.355 0.000 2.328 313 A HA 0.614 4.934 4.320 0.000 0.000 0.284 313 A C -0.431 177.374 177.584 0.368 0.000 1.160 313 A CA -0.325 51.871 52.037 0.264 0.000 0.818 313 A CB 0.481 19.535 19.000 0.091 0.000 1.087 313 A HN 0.678 nan 8.150 nan 0.000 0.504 314 M N 2.884 122.673 119.600 0.315 0.000 2.227 314 M HA 0.385 4.865 4.480 0.000 0.000 0.335 314 M C 0.380 176.781 176.300 0.169 0.000 1.053 314 M CA -0.308 55.157 55.300 0.276 0.000 0.973 314 M CB 2.157 34.929 32.600 0.286 0.000 1.623 314 M HN 0.904 nan 8.290 nan 0.000 0.434 315 T N -0.902 113.723 114.554 0.119 0.000 2.804 315 T HA 0.575 4.925 4.350 0.000 0.000 0.272 315 T C 1.202 175.945 174.700 0.072 0.000 0.986 315 T CA -0.246 61.886 62.100 0.053 0.000 0.999 315 T CB 0.971 69.834 68.868 -0.008 0.000 1.307 315 T HN 0.708 nan 8.240 nan 0.000 0.586 316 G N 0.847 109.677 108.800 0.050 0.000 2.513 316 G HA2 -0.303 3.657 3.960 0.000 0.000 0.219 316 G HA3 -0.303 3.657 3.960 0.000 0.000 0.219 316 G C 1.368 176.310 174.900 0.069 0.000 1.160 316 G CA 1.351 46.513 45.100 0.103 0.000 0.767 316 G HN 1.019 nan 8.290 nan 0.000 0.571 317 K N 0.172 120.578 120.400 0.010 0.000 2.360 317 K HA -0.064 4.256 4.320 0.000 0.000 0.201 317 K C 1.613 178.238 176.600 0.041 0.000 1.046 317 K CA 1.495 57.779 56.287 -0.006 0.000 0.940 317 K CB -0.174 32.314 32.500 -0.021 0.000 0.748 317 K HN 0.282 nan 8.250 nan 0.000 0.465 318 N N 0.792 119.531 118.700 0.065 0.000 2.454 318 N HA -0.057 4.683 4.740 0.000 0.000 0.177 318 N C 1.541 177.042 175.510 -0.016 0.000 1.049 318 N CA 1.243 54.336 53.050 0.072 0.000 0.887 318 N CB 0.523 39.099 38.487 0.149 0.000 1.095 318 N HN 0.403 nan 8.380 nan 0.000 0.446 319 S N -0.611 115.070 115.700 -0.031 0.000 2.535 319 S HA 0.279 4.749 4.470 0.000 0.000 0.214 319 S C 0.558 175.022 174.600 -0.226 0.000 0.980 319 S CA -0.120 57.953 58.200 -0.212 0.000 0.907 319 S CB 0.242 63.442 63.200 -0.001 0.000 0.790 319 S HN -0.059 nan 8.310 nan 0.000 0.510 320 M N 2.246 121.811 119.600 -0.059 0.000 2.393 320 M HA 0.509 4.989 4.480 0.000 0.000 0.299 320 M C -1.398 174.887 176.300 -0.025 0.000 1.103 320 M CA -0.701 54.583 55.300 -0.027 0.000 0.910 320 M CB 1.935 34.650 32.600 0.192 0.000 1.659 320 M HN -0.108 nan 8.290 nan 0.000 0.445 321 V N 2.105 121.927 119.914 -0.155 0.000 2.435 321 V HA 0.314 4.434 4.120 0.000 0.000 0.290 321 V C -0.044 176.027 176.094 -0.039 0.000 1.030 321 V CA -0.839 61.396 62.300 -0.109 0.000 0.881 321 V CB 1.604 33.274 31.823 -0.256 0.000 0.983 321 V HN 0.651 nan 8.190 nan 0.000 0.445 322 D N 3.361 123.800 120.400 0.065 0.000 2.374 322 D HA 0.155 4.795 4.640 0.000 0.000 0.240 322 D C 0.660 176.999 176.300 0.066 0.000 1.229 322 D CA 0.208 54.265 54.000 0.096 0.000 0.895 322 D CB 2.149 43.026 40.800 0.130 0.000 1.046 322 D HN 0.322 nan 8.370 nan 0.000 0.498 323 V N 3.508 123.451 119.914 0.049 0.000 2.599 323 V HA -0.059 4.062 4.120 0.000 0.000 0.245 323 V C 0.682 176.823 176.094 0.079 0.000 1.046 323 V CA 1.421 63.771 62.300 0.084 0.000 1.065 323 V CB 0.085 31.964 31.823 0.094 0.000 0.703 323 V HN 0.603 nan 8.190 nan 0.000 0.464 324 K N -0.897 119.540 120.400 0.063 0.000 2.607 324 K HA 0.468 4.788 4.320 0.000 0.000 0.287 324 K C -3.211 173.421 176.600 0.054 0.000 0.996 324 K CA -1.839 54.482 56.287 0.056 0.000 0.876 324 K CB 0.837 33.366 32.500 0.048 0.000 1.496 324 K HN -0.257 nan 8.250 nan 0.000 0.415 325 P HA 0.022 nan 4.420 nan 0.000 0.262 325 P C 0.645 177.973 177.300 0.046 0.000 1.182 325 P CA 1.586 64.718 63.100 0.053 0.000 0.761 325 P CB 0.497 32.224 31.700 0.045 0.000 0.795 326 G N 1.832 110.662 108.800 0.051 0.000 2.253 326 G HA2 -0.201 3.759 3.960 0.000 0.000 0.251 326 G HA3 -0.201 3.759 3.960 0.000 0.000 0.251 326 G C 0.166 175.079 174.900 0.022 0.000 0.998 326 G CA 0.306 45.427 45.100 0.036 0.000 0.621 326 G HN 0.669 nan 8.290 nan 0.000 0.524 327 T N 0.483 115.051 114.554 0.023 0.000 2.863 327 T HA 0.808 5.159 4.350 0.000 0.000 0.285 327 T C -0.221 174.477 174.700 -0.003 0.000 1.009 327 T CA 0.408 62.512 62.100 0.006 0.000 0.989 327 T CB 2.051 70.924 68.868 0.009 0.000 1.004 327 T HN 1.587 nan 8.240 nan 0.000 0.455 328 A N 1.361 124.156 122.820 -0.041 0.000 2.455 328 A HA 0.723 5.044 4.320 0.000 0.000 0.300 328 A C -0.688 176.856 177.584 -0.066 0.000 1.040 328 A CA -0.684 51.311 52.037 -0.070 0.000 0.697 328 A CB 0.926 19.824 19.000 -0.171 0.000 1.265 328 A HN 0.950 nan 8.150 nan 0.000 0.407 329 c N 1.008 119.494 118.600 -0.191 0.000 2.529 329 c HA 0.671 5.241 4.570 0.000 0.000 0.329 329 c C 0.454 174.344 174.090 -0.334 0.000 1.194 329 c CA -0.761 55.414 56.329 -0.257 0.000 1.779 329 c CB 1.304 43.529 42.510 -0.474 0.000 2.322 329 c HN 0.705 nan 8.230 nan 0.000 0.500 330 V N 2.408 122.218 119.914 -0.174 0.000 2.585 330 V HA 0.263 4.383 4.120 0.000 0.000 0.296 330 V C 1.012 176.871 176.094 -0.391 0.000 1.035 330 V CA 0.405 62.547 62.300 -0.264 0.000 1.084 330 V CB 0.713 32.418 31.823 -0.196 0.000 0.953 330 V HN 1.080 nan 8.190 nan 0.000 0.483 331 A N 5.506 127.991 122.820 -0.559 0.000 2.648 331 A HA 0.478 4.798 4.320 0.000 0.000 0.269 331 A C -0.185 177.208 177.584 -0.317 0.000 1.392 331 A CA -0.071 51.742 52.037 -0.373 0.000 1.019 331 A CB -0.758 18.084 19.000 -0.264 0.000 1.009 331 A HN 0.564 nan 8.150 nan 0.000 0.565 332 F N -0.461 119.531 119.950 0.069 0.000 2.427 332 F HA 0.512 5.039 4.527 0.000 0.000 0.348 332 F C -0.137 175.819 175.800 0.259 0.000 1.125 332 F CA -1.085 56.985 58.000 0.117 0.000 0.989 332 F CB 1.834 40.798 39.000 -0.060 0.000 1.165 332 F HN -0.098 nan 8.300 nan 0.000 0.442 333 V N 2.280 122.443 119.914 0.416 0.000 2.604 333 V HA 0.339 4.459 4.120 0.000 0.000 0.305 333 V C -0.108 176.060 176.094 0.123 0.000 1.043 333 V CA -1.180 61.243 62.300 0.205 0.000 0.888 333 V CB 1.863 33.627 31.823 -0.098 0.000 0.995 333 V HN 0.690 nan 8.190 nan 0.000 0.429 334 E N 3.181 123.229 120.200 -0.253 0.000 2.373 334 E HA 0.325 4.675 4.350 0.000 0.000 0.267 334 E C -0.400 176.103 176.600 -0.163 0.000 1.032 334 E CA -0.449 55.703 56.400 -0.414 0.000 0.889 334 E CB 0.780 29.931 29.700 -0.916 0.000 0.984 334 E HN 0.584 nan 8.360 nan 0.000 0.425 335 M N 4.094 123.646 119.600 -0.080 0.000 2.219 335 M HA 0.079 4.559 4.480 0.000 0.000 0.353 335 M C -0.124 176.134 176.300 -0.070 0.000 1.304 335 M CA 0.392 55.668 55.300 -0.039 0.000 1.115 335 M CB 0.512 33.109 32.600 -0.006 0.000 1.664 335 M HN 0.298 nan 8.290 nan 0.000 0.459 336 K N 1.579 121.945 120.400 -0.056 0.000 2.159 336 K HA 0.717 5.037 4.320 0.000 0.000 0.266 336 K C 0.416 176.994 176.600 -0.036 0.000 0.975 336 K CA -0.382 55.871 56.287 -0.057 0.000 0.865 336 K CB 1.441 33.903 32.500 -0.063 0.000 1.087 336 K HN 0.819 nan 8.250 nan 0.000 0.446 337 G N 0.667 109.447 108.800 -0.033 0.000 2.141 337 G HA2 -0.116 3.844 3.960 0.000 0.000 0.195 337 G HA3 -0.116 3.844 3.960 0.000 0.000 0.195 337 G C -0.771 174.118 174.900 -0.018 0.000 1.012 337 G CA -0.166 44.920 45.100 -0.023 0.000 0.696 337 G HN 0.551 nan 8.290 nan 0.000 0.508 338 V N 0.099 120.000 119.914 -0.021 0.000 2.711 338 V HA 0.429 4.549 4.120 0.000 0.000 0.304 338 V C -0.381 175.704 176.094 -0.014 0.000 1.097 338 V CA -1.001 61.289 62.300 -0.015 0.000 0.906 338 V CB 1.972 33.787 31.823 -0.013 0.000 1.015 338 V HN 0.266 nan 8.190 nan 0.000 0.427 339 D N 2.784 123.178 120.400 -0.009 0.000 2.357 339 D HA 0.546 5.186 4.640 0.000 0.000 0.242 339 D C 0.409 176.707 176.300 -0.003 0.000 1.153 339 D CA 0.301 54.297 54.000 -0.007 0.000 0.918 339 D CB 1.272 42.069 40.800 -0.006 0.000 1.181 339 D HN 0.845 nan 8.370 nan 0.000 0.435 340 A N 1.092 123.912 122.820 -0.000 0.000 2.444 340 A HA 0.507 4.827 4.320 0.000 0.000 0.273 340 A C 1.126 178.711 177.584 0.002 0.000 1.136 340 A CA 0.198 52.237 52.037 0.004 0.000 0.799 340 A CB -0.458 18.546 19.000 0.007 0.000 1.081 340 A HN 0.829 nan 8.150 nan 0.000 0.509 341 G N 2.518 111.319 108.800 0.002 0.000 2.246 341 G HA2 -0.200 3.760 3.960 0.000 0.000 0.273 341 G HA3 -0.200 3.760 3.960 0.000 0.000 0.273 341 G C -0.107 174.791 174.900 -0.004 0.000 1.055 341 G CA 0.368 45.468 45.100 -0.001 0.000 0.851 341 G HN 1.044 nan 8.290 nan 0.000 0.500 342 D N 0.249 120.647 120.400 -0.003 0.000 2.402 342 D HA 0.440 5.080 4.640 0.000 0.000 0.235 342 D C 1.751 178.046 176.300 -0.008 0.000 1.226 342 D CA 0.542 54.538 54.000 -0.005 0.000 0.918 342 D CB 0.149 40.946 40.800 -0.004 0.000 1.043 342 D HN 0.234 nan 8.370 nan 0.000 0.506 343 G N 2.885 111.677 108.800 -0.013 0.000 2.547 343 G HA2 -0.378 3.582 3.960 0.000 0.000 0.221 343 G HA3 -0.378 3.582 3.960 0.000 0.000 0.221 343 G C 1.597 176.479 174.900 -0.029 0.000 1.140 343 G CA 1.495 46.581 45.100 -0.022 0.000 0.760 343 G HN 0.573 nan 8.290 nan 0.000 0.583 344 S N 1.337 117.022 115.700 -0.025 0.000 2.368 344 S HA 0.060 4.530 4.470 0.000 0.000 0.226 344 S C 1.642 176.235 174.600 -0.013 0.000 1.044 344 S CA 1.017 59.201 58.200 -0.026 0.000 1.062 344 S CB -0.721 62.470 63.200 -0.015 0.000 0.931 344 S HN 0.989 nan 8.310 nan 0.000 0.440 345 A N 4.140 126.962 122.820 0.003 0.000 2.440 345 A HA 0.546 4.866 4.320 0.000 0.000 0.251 345 A C -2.195 175.411 177.584 0.036 0.000 1.089 345 A CA -1.542 50.509 52.037 0.024 0.000 0.779 345 A CB -0.291 18.720 19.000 0.019 0.000 1.022 345 A HN 0.373 nan 8.150 nan 0.000 0.492 346 P HA 0.217 nan 4.420 nan 0.000 0.271 346 P C 0.713 178.043 177.300 0.050 0.000 1.218 346 P CA 0.361 63.517 63.100 0.092 0.000 0.780 346 P CB 0.990 32.791 31.700 0.168 0.000 0.901 347 A N 2.774 125.614 122.820 0.034 0.000 1.930 347 A HA 0.043 4.363 4.320 0.000 0.000 0.217 347 A C 0.764 178.359 177.584 0.019 0.000 1.175 347 A CA 1.470 53.519 52.037 0.019 0.000 0.627 347 A CB -0.369 18.633 19.000 0.004 0.000 0.815 347 A HN 0.435 nan 8.150 nan 0.000 0.443 348 V N 0.380 120.299 119.914 0.008 0.000 2.569 348 V HA 0.385 4.505 4.120 0.000 0.000 0.301 348 V C -1.036 175.044 176.094 -0.024 0.000 1.044 348 V CA -0.338 61.958 62.300 -0.007 0.000 0.874 348 V CB 1.699 33.491 31.823 -0.052 0.000 1.002 348 V HN 0.318 nan 8.190 nan 0.000 0.424 349 I N 5.640 126.206 120.570 -0.007 0.000 2.354 349 I HA 0.411 4.581 4.170 0.000 0.000 0.286 349 I C -0.380 175.702 176.117 -0.059 0.000 1.007 349 I CA -0.330 60.943 61.300 -0.045 0.000 1.167 349 I CB 1.359 39.343 38.000 -0.025 0.000 1.320 349 I HN 0.359 nan 8.210 nan 0.000 0.458 350 L N 5.639 126.779 121.223 -0.139 0.000 2.326 350 L HA 0.537 4.877 4.340 0.000 0.000 0.278 350 L C 0.921 177.719 176.870 -0.120 0.000 1.092 350 L CA -0.139 54.603 54.840 -0.164 0.000 0.810 350 L CB 1.201 43.042 42.059 -0.364 0.000 1.153 350 L HN 0.660 nan 8.230 nan 0.000 0.439 351 G N 0.809 109.563 108.800 -0.076 0.000 2.642 351 G HA2 0.408 4.368 3.960 0.000 0.000 0.291 351 G HA3 0.408 4.368 3.960 0.000 0.000 0.291 351 G C 0.850 175.746 174.900 -0.008 0.000 1.345 351 G CA 0.016 45.084 45.100 -0.053 0.000 1.043 351 G HN 0.737 nan 8.290 nan 0.000 0.528 352 G N -0.436 108.393 108.800 0.048 0.000 2.422 352 G HA2 0.079 4.039 3.960 0.000 0.000 0.218 352 G HA3 0.079 4.039 3.960 0.000 0.000 0.218 352 G C 1.827 176.796 174.900 0.114 0.000 1.146 352 G CA 1.736 46.884 45.100 0.081 0.000 0.769 352 G HN 0.934 nan 8.290 nan 0.000 0.547 353 A N 0.066 122.973 122.820 0.144 0.000 2.066 353 A HA 0.064 4.384 4.320 0.000 0.000 0.218 353 A C 2.247 179.896 177.584 0.108 0.000 1.157 353 A CA 1.602 53.719 52.037 0.134 0.000 0.670 353 A CB -0.150 18.919 19.000 0.114 0.000 0.804 353 A HN 0.363 nan 8.150 nan 0.000 0.453 354 Q N -1.029 118.817 119.800 0.076 0.000 2.472 354 Q HA 0.224 4.564 4.340 0.000 0.000 0.208 354 Q C 1.511 177.551 176.000 0.068 0.000 0.958 354 Q CA 0.814 56.676 55.803 0.098 0.000 0.932 354 Q CB -0.066 28.686 28.738 0.024 0.000 1.007 354 Q HN 0.736 nan 8.270 nan 0.000 0.508 355 M N -0.752 118.863 119.600 0.024 0.000 2.331 355 M HA 0.143 4.623 4.480 0.000 0.000 0.266 355 M C -0.329 176.023 176.300 0.087 0.000 1.055 355 M CA -0.000 55.265 55.300 -0.058 0.000 1.048 355 M CB 0.844 33.445 32.600 0.002 0.000 1.460 355 M HN 0.004 nan 8.290 nan 0.000 0.519 356 E N 2.407 122.679 120.200 0.120 0.000 2.465 356 E HA -0.096 4.254 4.350 0.000 0.000 0.260 356 E C -0.342 176.366 176.600 0.180 0.000 0.980 356 E CA 0.339 56.815 56.400 0.127 0.000 0.927 356 E CB 0.204 29.984 29.700 0.134 0.000 0.934 356 E HN 0.180 nan 8.360 nan 0.000 0.459 357 D N 1.169 121.607 120.400 0.063 0.000 2.981 357 D HA -0.208 4.432 4.640 0.000 0.000 0.223 357 D C -0.820 175.366 176.300 -0.190 0.000 1.151 357 D CA 1.081 55.024 54.000 -0.094 0.000 0.827 357 D CB -1.288 39.420 40.800 -0.153 0.000 1.101 357 D HN 0.195 nan 8.370 nan 0.000 0.426 358 F N -0.080 119.724 119.950 -0.243 0.000 2.450 358 F HA 0.416 4.943 4.527 0.000 0.000 0.332 358 F C 0.745 176.400 175.800 -0.241 0.000 1.093 358 F CA -0.963 56.852 58.000 -0.309 0.000 1.003 358 F CB 1.546 40.319 39.000 -0.379 0.000 1.151 358 F HN -0.338 nan 8.300 nan 0.000 0.474 359 V N 5.182 125.034 119.914 -0.104 0.000 2.408 359 V HA 0.240 4.360 4.120 0.000 0.000 0.267 359 V C -0.078 175.991 176.094 -0.041 0.000 1.047 359 V CA -0.444 61.829 62.300 -0.044 0.000 0.937 359 V CB 0.696 32.492 31.823 -0.044 0.000 0.999 359 V HN 0.483 nan 8.190 nan 0.000 0.472 360 L N 4.471 125.685 121.223 -0.015 0.000 2.316 360 L HA 0.483 4.823 4.340 0.000 0.000 0.280 360 L C -0.458 176.312 176.870 -0.168 0.000 1.006 360 L CA -0.428 54.331 54.840 -0.135 0.000 0.836 360 L CB 1.651 43.660 42.059 -0.085 0.000 1.221 360 L HN 0.532 nan 8.230 nan 0.000 0.418 361 D N 3.533 123.787 120.400 -0.244 0.000 2.428 361 D HA 0.225 4.865 4.640 0.000 0.000 0.221 361 D C -0.786 175.336 176.300 -0.296 0.000 1.123 361 D CA -0.215 53.685 54.000 -0.166 0.000 0.869 361 D CB 0.469 41.247 40.800 -0.037 0.000 1.032 361 D HN 0.058 nan 8.370 nan 0.000 0.506 362 F N 2.640 122.304 119.950 -0.477 0.000 2.423 362 F HA 0.163 4.690 4.527 0.000 0.000 0.356 362 F C 0.912 176.526 175.800 -0.309 0.000 1.170 362 F CA -0.636 57.006 58.000 -0.597 0.000 1.163 362 F CB 0.572 38.736 39.000 -1.393 0.000 1.318 362 F HN 0.176 nan 8.300 nan 0.000 0.569 363 D N 4.974 125.384 120.400 0.017 0.000 2.456 363 D HA 0.128 4.768 4.640 0.000 0.000 0.219 363 D C 1.040 177.406 176.300 0.111 0.000 1.126 363 D CA -0.129 53.917 54.000 0.076 0.000 0.890 363 D CB 0.699 41.542 40.800 0.072 0.000 1.025 363 D HN 0.348 nan 8.370 nan 0.000 0.511 364 M N 1.769 121.465 119.600 0.160 0.000 2.319 364 M HA -0.041 4.439 4.480 0.000 0.000 0.265 364 M C 1.410 177.789 176.300 0.131 0.000 1.068 364 M CA 0.874 56.285 55.300 0.184 0.000 1.118 364 M CB -0.479 32.266 32.600 0.242 0.000 1.395 364 M HN 0.361 nan 8.290 nan 0.000 0.435 365 E N 1.239 121.503 120.200 0.107 0.000 2.051 365 E HA -0.142 4.208 4.350 0.000 0.000 0.192 365 E C 1.444 178.079 176.600 0.057 0.000 0.991 365 E CA 1.082 57.528 56.400 0.077 0.000 0.799 365 E CB -0.048 29.691 29.700 0.066 0.000 0.748 365 E HN 0.514 nan 8.360 nan 0.000 0.449 366 K N 0.295 120.722 120.400 0.045 0.000 2.372 366 K HA 0.112 4.432 4.320 0.000 0.000 0.200 366 K C -0.403 176.217 176.600 0.034 0.000 1.022 366 K CA -0.058 56.240 56.287 0.018 0.000 1.125 366 K CB 0.446 32.929 32.500 -0.028 0.000 0.855 366 K HN -0.067 nan 8.250 nan 0.000 0.524 367 K N 1.486 121.926 120.400 0.067 0.000 3.148 367 K HA -0.239 4.081 4.320 0.000 0.000 0.267 367 K C -0.762 175.889 176.600 0.085 0.000 0.996 367 K CA 0.757 57.096 56.287 0.086 0.000 0.737 367 K CB -1.224 31.322 32.500 0.076 0.000 1.308 367 K HN 0.425 nan 8.250 nan 0.000 0.470 368 R N -0.615 119.937 120.500 0.088 0.000 2.707 368 R HA 0.636 4.976 4.340 0.000 0.000 0.272 368 R C -1.574 174.796 176.300 0.116 0.000 1.011 368 R CA -1.314 54.858 56.100 0.120 0.000 0.893 368 R CB 1.136 31.509 30.300 0.123 0.000 1.233 368 R HN 0.023 nan 8.270 nan 0.000 0.464 369 L N 1.471 122.764 121.223 0.116 0.000 2.298 369 L HA 0.611 4.951 4.340 0.000 0.000 0.284 369 L C -0.256 176.652 176.870 0.063 0.000 1.013 369 L CA 0.031 54.843 54.840 -0.047 0.000 0.824 369 L CB 1.822 43.769 42.059 -0.187 0.000 1.221 369 L HN 0.890 nan 8.230 nan 0.000 0.418 370 G N 4.522 113.247 108.800 -0.125 0.000 2.390 370 G HA2 0.464 4.424 3.960 0.000 0.000 0.270 370 G HA3 0.464 4.424 3.960 0.000 0.000 0.270 370 G C -1.060 173.639 174.900 -0.335 0.000 1.211 370 G CA -0.293 44.371 45.100 -0.726 0.000 0.842 370 G HN 0.675 nan 8.290 nan 0.000 0.519 371 F N 1.057 120.741 119.950 -0.444 0.000 2.569 371 F HA 0.782 5.310 4.527 0.000 0.000 0.312 371 F C -1.472 174.138 175.800 -0.317 0.000 1.109 371 F CA -2.043 55.763 58.000 -0.324 0.000 0.919 371 F CB 2.215 41.049 39.000 -0.277 0.000 1.211 371 F HN 0.440 nan 8.300 nan 0.000 0.446 372 L N 4.100 125.161 121.223 -0.270 0.000 2.596 372 L HA 0.468 4.808 4.340 0.000 0.000 0.265 372 L C -0.790 175.714 176.870 -0.610 0.000 0.962 372 L CA -0.658 53.929 54.840 -0.421 0.000 0.891 372 L CB 1.791 43.634 42.059 -0.361 0.000 1.248 372 L HN 0.917 nan 8.230 nan 0.000 0.410 373 R N 4.949 124.909 120.500 -0.900 0.000 2.370 373 R HA 0.444 4.784 4.340 0.000 0.000 0.309 373 R C -0.792 175.017 176.300 -0.819 0.000 1.059 373 R CA -0.365 54.952 56.100 -1.306 0.000 0.981 373 R CB 0.337 29.854 30.300 -1.305 0.000 0.972 373 R HN 0.767 nan 8.270 nan 0.000 0.437 374 L N 6.488 127.242 121.223 -0.782 0.000 2.473 374 L HA 0.239 4.579 4.340 0.000 0.000 0.268 374 L C -1.683 174.703 176.870 -0.807 0.000 1.215 374 L CA -1.945 52.415 54.840 -0.800 0.000 0.823 374 L CB 0.438 42.014 42.059 -0.806 0.000 1.099 374 L HN 0.563 nan 8.230 nan 0.000 0.483 375 P HA -0.042 nan 4.420 nan 0.000 0.267 375 P C 0.047 176.825 177.300 -0.871 0.000 1.200 375 P CA -0.018 62.466 63.100 -1.027 0.000 0.772 375 P CB 0.364 31.049 31.700 -1.692 0.000 0.855 376 H N 1.865 120.632 119.070 -0.504 0.000 2.492 376 H HA -0.178 4.378 4.556 0.000 0.000 0.296 376 H C 0.951 176.140 175.328 -0.232 0.000 1.095 376 H CA 1.619 57.490 56.048 -0.296 0.000 1.281 376 H CB -1.218 28.464 29.762 -0.134 0.000 1.374 376 H HN 0.475 nan 8.280 nan 0.000 0.545 377 F N -1.209 118.417 119.950 -0.541 0.000 2.693 377 F HA 0.473 5.000 4.527 -0.000 0.000 0.303 377 F C 0.510 176.224 175.800 -0.144 0.000 1.097 377 F CA -0.065 57.774 58.000 -0.267 0.000 1.330 377 F CB -0.244 38.533 39.000 -0.371 0.000 1.067 377 F HN 0.241 nan 8.300 nan 0.000 0.565 378 T N -1.006 113.262 114.554 -0.477 0.000 2.590 378 T HA 0.835 5.185 4.350 0.000 0.000 0.282 378 T C -0.735 173.814 174.700 -0.252 0.000 0.989 378 T CA -0.115 61.846 62.100 -0.232 0.000 1.091 378 T CB 1.317 70.082 68.868 -0.171 0.000 1.460 378 T HN 0.462 nan 8.240 nan 0.000 0.499 379 G N -0.836 107.862 108.800 -0.170 0.000 2.451 379 G HA2 0.376 4.336 3.960 0.000 0.000 0.292 379 G HA3 0.376 4.336 3.960 0.000 0.000 0.292 379 G C 0.759 175.635 174.900 -0.040 0.000 1.427 379 G CA 0.078 45.090 45.100 -0.146 0.000 0.792 379 G HN 0.853 nan 8.290 nan 0.000 0.498 380 c N 0.332 118.923 118.600 -0.015 0.000 2.410 380 c HA -0.015 4.555 4.570 0.000 0.000 0.281 380 c C 3.060 177.397 174.090 0.412 0.000 1.318 380 c CA 1.818 58.259 56.329 0.187 0.000 1.776 380 c CB -1.044 41.545 42.510 0.132 0.000 1.942 380 c HN 0.894 nan 8.230 nan 0.000 0.508 381 S N 0.682 116.543 115.700 0.269 0.000 2.603 381 S HA -0.036 4.434 4.470 0.000 0.000 0.220 381 S C 1.372 176.154 174.600 0.302 0.000 0.967 381 S CA 0.873 59.231 58.200 0.264 0.000 0.920 381 S CB -0.513 62.791 63.200 0.173 0.000 0.773 381 S HN 0.736 nan 8.310 nan 0.000 0.529 382 S N 0.341 116.283 115.700 0.404 0.000 2.631 382 S HA 0.255 4.725 4.470 0.000 0.000 0.217 382 S C 0.036 174.846 174.600 0.349 0.000 0.958 382 S CA -0.838 57.594 58.200 0.386 0.000 0.920 382 S CB -0.863 62.606 63.200 0.449 0.000 0.776 382 S HN 0.509 nan 8.310 nan 0.000 0.517 383 F N 2.869 122.931 119.950 0.185 0.000 2.484 383 F HA 0.535 5.062 4.527 0.000 0.000 0.360 383 F C 0.516 176.278 175.800 -0.064 0.000 1.101 383 F CA 0.386 58.294 58.000 -0.153 0.000 1.251 383 F CB 0.323 39.192 39.000 -0.218 0.000 1.132 383 F HN 0.294 nan 8.300 nan 0.000 0.570 384 N N 2.990 121.298 118.700 -0.654 0.000 3.009 384 N HA -0.036 4.704 4.740 0.000 0.000 0.289 384 N C -1.950 173.511 175.510 -0.082 0.000 1.196 384 N CA -0.363 52.493 53.050 -0.323 0.000 0.732 384 N CB -0.598 37.911 38.487 0.037 0.000 1.724 384 N HN 0.427 nan 8.380 nan 0.000 0.288 385 F N 0.000 119.874 119.950 -0.127 0.000 2.286 385 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 385 F CA 0.000 57.947 58.000 -0.089 0.000 1.383 385 F CB 0.000 38.977 39.000 -0.038 0.000 1.145 385 F HN 0.000 nan 8.300 nan 0.000 0.574