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 2uum_1_H DATA FIRST_RESID 1 DATA SEQUENCE MFDAFTKVVS QADTRGEMLS TAQIDALSQM VAESNKRLDV VNRITSNAST DATA SEQUENCE IVSNAARSLF AEQPQLIAPG GNAYTSTRMA ACLRDMEIIL RYVTYAVFAG DATA SEQUENCE DASVLEDRCL NGLRETYLAL GTPGSSVAVG VGKMKEAALA IVNDPAGITP DATA SEQUENCE GDCSALASEI ASYFDRACAA VS 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 175.988 176.300 -0.520 0.000 1.140 1 M CA 0.000 55.054 55.300 -0.410 0.000 0.988 1 M CB 0.000 32.505 32.600 -0.158 0.000 1.302 2 F N 0.920 120.884 119.950 0.023 0.000 2.507 2 F HA 0.723 5.250 4.527 -0.000 0.000 0.327 2 F C -0.069 175.753 175.800 0.037 0.000 1.068 2 F CA -0.242 57.778 58.000 0.032 0.000 0.965 2 F CB 1.435 40.452 39.000 0.028 0.000 1.192 2 F HN 0.770 nan 8.300 nan 0.000 0.476 3 D N 0.296 120.854 120.400 0.264 0.000 2.384 3 D HA 0.534 5.174 4.640 0.000 0.000 0.250 3 D C 0.889 177.262 176.300 0.122 0.000 1.029 3 D CA -0.576 53.526 54.000 0.171 0.000 0.990 3 D CB 0.879 41.786 40.800 0.178 0.000 1.175 3 D HN 0.556 nan 8.370 nan 0.000 0.532 4 A N -0.023 122.782 122.820 -0.024 0.000 1.940 4 A HA -0.221 4.099 4.320 0.000 0.000 0.221 4 A C 1.912 179.402 177.584 -0.157 0.000 1.190 4 A CA 1.541 53.482 52.037 -0.160 0.000 0.647 4 A CB -1.250 17.545 19.000 -0.343 0.000 0.821 4 A HN 0.593 nan 8.150 nan 0.000 0.457 5 F N 0.369 120.330 119.950 0.017 0.000 2.060 5 F HA -0.147 4.380 4.527 0.000 0.000 0.295 5 F C 3.050 178.858 175.800 0.013 0.000 1.120 5 F CA 1.862 59.867 58.000 0.008 0.000 1.205 5 F CB -0.952 38.054 39.000 0.010 0.000 0.986 5 F HN 0.345 nan 8.300 nan 0.000 0.470 6 T N -1.586 113.135 114.554 0.278 0.000 2.962 6 T HA -0.164 4.186 4.350 0.000 0.000 0.270 6 T C 1.773 176.501 174.700 0.047 0.000 1.088 6 T CA 1.217 63.442 62.100 0.208 0.000 1.127 6 T CB -0.272 68.778 68.868 0.304 0.000 0.883 6 T HN 0.015 nan 8.240 nan 0.000 0.493 7 K N 1.578 121.953 120.400 -0.042 0.000 2.002 7 K HA 0.023 4.343 4.320 0.000 0.000 0.209 7 K C 2.094 178.519 176.600 -0.291 0.000 1.048 7 K CA 1.564 57.615 56.287 -0.393 0.000 0.930 7 K CB -1.084 31.297 32.500 -0.198 0.000 0.714 7 K HN 0.303 nan 8.250 nan 0.000 0.438 8 V N 0.273 120.113 119.914 -0.124 0.000 2.295 8 V HA -0.221 3.899 4.120 0.000 0.000 0.246 8 V C 2.382 178.438 176.094 -0.063 0.000 1.049 8 V CA 1.739 63.990 62.300 -0.082 0.000 1.024 8 V CB -0.417 31.387 31.823 -0.033 0.000 0.648 8 V HN 0.165 nan 8.190 nan 0.000 0.447 9 V N 0.805 120.708 119.914 -0.019 0.000 2.252 9 V HA -0.298 3.822 4.120 0.000 0.000 0.249 9 V C 2.817 178.890 176.094 -0.035 0.000 1.056 9 V CA 2.600 64.900 62.300 -0.001 0.000 1.022 9 V CB -0.931 30.920 31.823 0.046 0.000 0.641 9 V HN 0.768 nan 8.190 nan 0.000 0.445 10 S N -0.699 114.948 115.700 -0.088 0.000 2.383 10 S HA -0.328 4.142 4.470 0.000 0.000 0.229 10 S C 1.957 176.494 174.600 -0.106 0.000 1.030 10 S CA 2.101 60.243 58.200 -0.096 0.000 1.002 10 S CB -0.439 62.633 63.200 -0.214 0.000 0.829 10 S HN 0.699 nan 8.310 nan 0.000 0.467 11 Q N 0.695 120.407 119.800 -0.147 0.000 2.079 11 Q HA 0.061 4.401 4.340 0.000 0.000 0.200 11 Q C 2.672 178.639 176.000 -0.055 0.000 0.974 11 Q CA 1.456 57.197 55.803 -0.103 0.000 0.840 11 Q CB -0.540 28.130 28.738 -0.113 0.000 0.898 11 Q HN 0.789 nan 8.270 nan 0.000 0.430 12 A N 1.065 123.858 122.820 -0.045 0.000 1.902 12 A HA -0.270 4.050 4.320 0.000 0.000 0.217 12 A C 1.700 179.276 177.584 -0.014 0.000 1.181 12 A CA 1.939 53.963 52.037 -0.023 0.000 0.623 12 A CB -0.725 18.267 19.000 -0.013 0.000 0.818 12 A HN 0.428 nan 8.150 nan 0.000 0.443 13 D N -0.485 119.908 120.400 -0.011 0.000 2.123 13 D HA -0.167 4.473 4.640 0.000 0.000 0.196 13 D C 2.115 178.414 176.300 -0.001 0.000 0.992 13 D CA 2.387 56.387 54.000 -0.000 0.000 0.833 13 D CB -0.188 40.618 40.800 0.010 0.000 0.954 13 D HN 0.495 nan 8.370 nan 0.000 0.455 14 T N -2.578 111.973 114.554 -0.006 0.000 3.051 14 T HA -0.046 4.304 4.350 0.000 0.000 0.269 14 T C 1.819 176.517 174.700 -0.004 0.000 1.127 14 T CA 0.571 62.670 62.100 -0.003 0.000 1.107 14 T CB -0.206 68.659 68.868 -0.004 0.000 0.898 14 T HN 0.120 nan 8.240 nan 0.000 0.517 15 R N 0.138 120.634 120.500 -0.008 0.000 2.312 15 R HA 0.337 4.677 4.340 0.000 0.000 0.205 15 R C 1.827 178.125 176.300 -0.003 0.000 0.904 15 R CA 0.365 56.461 56.100 -0.006 0.000 1.052 15 R CB 0.161 30.455 30.300 -0.010 0.000 1.014 15 R HN 0.526 nan 8.270 nan 0.000 0.503 16 G N 1.823 110.622 108.800 -0.002 0.000 2.153 16 G HA2 -0.312 3.648 3.960 0.000 0.000 0.252 16 G HA3 -0.312 3.648 3.960 0.000 0.000 0.252 16 G C -0.181 174.719 174.900 -0.000 0.000 0.994 16 G CA 0.344 45.444 45.100 0.000 0.000 0.698 16 G HN 0.373 nan 8.290 nan 0.000 0.521 17 E N -0.184 120.015 120.200 -0.002 0.000 2.222 17 E HA 0.652 5.002 4.350 0.000 0.000 0.272 17 E C 1.157 177.757 176.600 -0.001 0.000 0.982 17 E CA -0.841 55.558 56.400 -0.002 0.000 0.842 17 E CB 0.661 30.359 29.700 -0.004 0.000 1.144 17 E HN 0.360 nan 8.360 nan 0.000 0.397 18 M N 2.124 121.725 119.600 0.001 0.000 2.247 18 M HA 0.266 4.746 4.480 0.000 0.000 0.326 18 M C -0.037 176.265 176.300 0.003 0.000 1.134 18 M CA -0.458 54.843 55.300 0.003 0.000 1.136 18 M CB 0.280 32.882 32.600 0.003 0.000 1.454 18 M HN 0.281 nan 8.290 nan 0.000 0.467 19 L N 1.697 122.924 121.223 0.006 0.000 2.456 19 L HA 0.116 4.456 4.340 0.000 0.000 0.272 19 L C 0.891 177.764 176.870 0.005 0.000 1.189 19 L CA -0.319 54.525 54.840 0.006 0.000 0.846 19 L CB 0.497 42.565 42.059 0.015 0.000 1.111 19 L HN 0.876 nan 8.230 nan 0.000 0.475 20 S N -0.126 115.575 115.700 0.002 0.000 2.562 20 S HA 0.015 4.485 4.470 0.000 0.000 0.281 20 S C 1.281 175.883 174.600 0.004 0.000 1.333 20 S CA -0.179 58.022 58.200 0.001 0.000 1.052 20 S CB 1.144 64.343 63.200 -0.002 0.000 0.884 20 S HN 0.796 nan 8.310 nan 0.000 0.506 21 T N 0.382 114.939 114.554 0.004 0.000 2.977 21 T HA -0.045 4.305 4.350 0.000 0.000 0.271 21 T C 1.877 176.579 174.700 0.005 0.000 1.105 21 T CA 0.831 62.935 62.100 0.006 0.000 1.116 21 T CB -0.807 68.064 68.868 0.005 0.000 0.878 21 T HN 0.891 nan 8.240 nan 0.000 0.509 22 A N 2.189 125.010 122.820 0.001 0.000 1.859 22 A HA -0.219 4.101 4.320 0.000 0.000 0.217 22 A C 2.485 180.068 177.584 -0.001 0.000 1.198 22 A CA 1.955 53.991 52.037 -0.001 0.000 0.629 22 A CB -1.047 17.951 19.000 -0.004 0.000 0.830 22 A HN 0.631 nan 8.150 nan 0.000 0.446 23 Q N -0.640 119.160 119.800 -0.001 0.000 2.135 23 Q HA -0.130 4.210 4.340 0.000 0.000 0.204 23 Q C 2.099 178.104 176.000 0.009 0.000 0.981 23 Q CA 1.548 57.350 55.803 -0.002 0.000 0.856 23 Q CB -0.370 28.367 28.738 -0.002 0.000 0.902 23 Q HN 0.759 nan 8.270 nan 0.000 0.425 24 I N 0.952 121.533 120.570 0.019 0.000 2.179 24 I HA -0.279 3.891 4.170 0.000 0.000 0.242 24 I C 1.595 177.728 176.117 0.028 0.000 1.088 24 I CA 1.067 62.387 61.300 0.034 0.000 1.357 24 I CB -0.370 37.649 38.000 0.032 0.000 1.051 24 I HN 0.172 nan 8.210 nan 0.000 0.409 25 D N 1.202 121.611 120.400 0.015 0.000 2.123 25 D HA -0.172 4.468 4.640 0.000 0.000 0.196 25 D C 2.237 178.538 176.300 0.002 0.000 0.992 25 D CA 1.633 55.638 54.000 0.009 0.000 0.833 25 D CB -0.179 40.624 40.800 0.005 0.000 0.954 25 D HN 0.352 nan 8.370 nan 0.000 0.455 26 A N 0.383 123.200 122.820 -0.006 0.000 1.933 26 A HA -0.124 4.196 4.320 0.000 0.000 0.218 26 A C 2.383 179.946 177.584 -0.035 0.000 1.175 26 A CA 0.920 52.945 52.037 -0.021 0.000 0.628 26 A CB -0.705 18.278 19.000 -0.028 0.000 0.814 26 A HN 0.229 nan 8.150 nan 0.000 0.444 27 L N -0.996 120.212 121.223 -0.026 0.000 2.093 27 L HA -0.120 4.220 4.340 0.000 0.000 0.208 27 L C 2.831 179.707 176.870 0.010 0.000 1.085 27 L CA 1.230 56.044 54.840 -0.043 0.000 0.755 27 L CB -0.406 41.672 42.059 0.032 0.000 0.904 27 L HN 0.323 nan 8.230 nan 0.000 0.435 28 S N -0.857 114.866 115.700 0.038 0.000 2.383 28 S HA -0.226 4.244 4.470 0.000 0.000 0.229 28 S C 1.993 176.604 174.600 0.018 0.000 1.030 28 S CA 1.180 59.406 58.200 0.043 0.000 1.002 28 S CB -0.133 63.088 63.200 0.034 0.000 0.829 28 S HN 0.376 nan 8.310 nan 0.000 0.467 29 Q N 0.429 120.228 119.800 -0.001 0.000 2.046 29 Q HA -0.039 4.301 4.340 0.000 0.000 0.200 29 Q C 2.153 178.140 176.000 -0.022 0.000 0.975 29 Q CA 1.143 56.939 55.803 -0.011 0.000 0.836 29 Q CB -0.423 28.305 28.738 -0.017 0.000 0.896 29 Q HN 0.501 nan 8.270 nan 0.000 0.428 30 M N -0.033 119.539 119.600 -0.046 0.000 2.213 30 M HA -0.153 4.327 4.480 0.000 0.000 0.263 30 M C 1.925 178.193 176.300 -0.052 0.000 1.062 30 M CA 1.059 56.314 55.300 -0.075 0.000 1.105 30 M CB -0.014 32.493 32.600 -0.155 0.000 1.385 30 M HN 0.025 nan 8.290 nan 0.000 0.417 31 V N 0.570 120.477 119.914 -0.011 0.000 2.358 31 V HA -0.207 3.913 4.120 0.000 0.000 0.246 31 V C 2.598 178.705 176.094 0.022 0.000 1.047 31 V CA 1.760 64.083 62.300 0.039 0.000 1.035 31 V CB -1.191 30.692 31.823 0.101 0.000 0.658 31 V HN 0.611 nan 8.190 nan 0.000 0.452 32 A N -0.755 122.074 122.820 0.014 0.000 2.067 32 A HA -0.152 4.168 4.320 0.000 0.000 0.219 32 A C 1.879 179.467 177.584 0.005 0.000 1.158 32 A CA 1.331 53.374 52.037 0.011 0.000 0.661 32 A CB -0.269 18.736 19.000 0.008 0.000 0.801 32 A HN 0.634 nan 8.150 nan 0.000 0.452 33 E N -0.168 120.031 120.200 -0.002 0.000 2.499 33 E HA 0.030 4.380 4.350 0.000 0.000 0.199 33 E C 1.373 177.970 176.600 -0.004 0.000 1.016 33 E CA 0.482 56.880 56.400 -0.003 0.000 0.933 33 E CB 0.223 29.918 29.700 -0.008 0.000 1.050 33 E HN 0.725 nan 8.360 nan 0.000 0.462 34 S N 0.055 115.752 115.700 -0.004 0.000 2.436 34 S HA -0.082 4.388 4.470 0.000 0.000 0.228 34 S C 1.525 176.125 174.600 -0.000 0.000 1.014 34 S CA 0.651 58.844 58.200 -0.012 0.000 0.950 34 S CB -0.233 62.959 63.200 -0.013 0.000 0.784 34 S HN 0.234 nan 8.310 nan 0.000 0.504 35 N N 1.762 120.468 118.700 0.010 0.000 2.166 35 N HA -0.072 4.668 4.740 0.000 0.000 0.186 35 N C 1.786 177.311 175.510 0.024 0.000 1.019 35 N CA 1.390 54.451 53.050 0.019 0.000 0.856 35 N CB -0.145 38.354 38.487 0.019 0.000 0.993 35 N HN 0.506 nan 8.380 nan 0.000 0.426 36 K N 0.848 121.259 120.400 0.020 0.000 2.057 36 K HA -0.147 4.173 4.320 0.000 0.000 0.207 36 K C 2.099 178.720 176.600 0.035 0.000 1.049 36 K CA 0.773 57.075 56.287 0.025 0.000 0.931 36 K CB -0.126 32.386 32.500 0.019 0.000 0.714 36 K HN 0.164 nan 8.250 nan 0.000 0.440 37 R N 1.469 121.985 120.500 0.027 0.000 2.080 37 R HA -0.151 4.189 4.340 0.000 0.000 0.236 37 R C 2.286 178.624 176.300 0.063 0.000 1.137 37 R CA 1.461 57.583 56.100 0.036 0.000 0.943 37 R CB -0.382 29.917 30.300 -0.001 0.000 0.846 37 R HN 0.113 nan 8.270 nan 0.000 0.431 38 L N 0.698 121.953 121.223 0.054 0.000 2.042 38 L HA -0.231 4.109 4.340 0.000 0.000 0.210 38 L C 2.231 179.159 176.870 0.098 0.000 1.076 38 L CA 1.398 56.297 54.840 0.099 0.000 0.749 38 L CB -0.634 41.477 42.059 0.087 0.000 0.893 38 L HN 0.284 nan 8.230 nan 0.000 0.432 39 D N -0.074 120.368 120.400 0.070 0.000 2.158 39 D HA -0.183 4.457 4.640 0.000 0.000 0.197 39 D C 2.246 178.589 176.300 0.072 0.000 0.995 39 D CA 1.949 55.987 54.000 0.063 0.000 0.846 39 D CB -0.142 40.687 40.800 0.047 0.000 0.941 39 D HN 0.378 nan 8.370 nan 0.000 0.456 40 V N -0.908 119.055 119.914 0.081 0.000 2.358 40 V HA -0.161 3.959 4.120 0.000 0.000 0.246 40 V C 2.398 178.557 176.094 0.109 0.000 1.047 40 V CA 1.126 63.480 62.300 0.091 0.000 1.035 40 V CB -0.787 31.096 31.823 0.099 0.000 0.658 40 V HN -0.004 nan 8.190 nan 0.000 0.452 41 V N 1.911 121.904 119.914 0.131 0.000 2.295 41 V HA -0.270 3.850 4.120 0.000 0.000 0.246 41 V C 2.729 178.885 176.094 0.103 0.000 1.049 41 V CA 2.844 65.232 62.300 0.146 0.000 1.024 41 V CB -1.310 30.655 31.823 0.237 0.000 0.648 41 V HN 0.755 nan 8.190 nan 0.000 0.447 42 N N 0.226 118.984 118.700 0.096 0.000 2.104 42 N HA -0.204 4.536 4.740 0.000 0.000 0.190 42 N C 1.964 177.506 175.510 0.054 0.000 1.024 42 N CA 1.830 54.921 53.050 0.068 0.000 0.853 42 N CB -0.205 38.321 38.487 0.064 0.000 1.008 42 N HN 0.387 nan 8.380 nan 0.000 0.424 43 R N -0.262 120.273 120.500 0.059 0.000 2.066 43 R HA 0.033 4.373 4.340 0.000 0.000 0.232 43 R C 2.324 178.655 176.300 0.051 0.000 1.131 43 R CA 1.431 57.561 56.100 0.049 0.000 0.955 43 R CB -0.380 29.950 30.300 0.050 0.000 0.851 43 R HN 0.316 nan 8.270 nan 0.000 0.432 44 I N 0.167 120.778 120.570 0.068 0.000 2.099 44 I HA -0.307 3.863 4.170 0.000 0.000 0.239 44 I C 2.228 178.374 176.117 0.049 0.000 1.066 44 I CA 1.567 62.913 61.300 0.076 0.000 1.324 44 I CB -0.592 37.477 38.000 0.116 0.000 1.037 44 I HN 0.204 nan 8.210 nan 0.000 0.401 45 T N 0.220 114.797 114.554 0.037 0.000 2.624 45 T HA -0.222 4.128 4.350 0.000 0.000 0.268 45 T C 1.946 176.654 174.700 0.012 0.000 1.041 45 T CA 2.072 64.179 62.100 0.012 0.000 1.159 45 T CB -0.353 68.519 68.868 0.006 0.000 0.863 45 T HN 0.273 nan 8.240 nan 0.000 0.434 46 S N 1.293 117.005 115.700 0.020 0.000 2.537 46 S HA -0.014 4.456 4.470 0.000 0.000 0.240 46 S C 1.244 175.853 174.600 0.015 0.000 0.981 46 S CA 0.694 58.903 58.200 0.016 0.000 0.948 46 S CB -0.295 62.917 63.200 0.020 0.000 0.759 46 S HN 0.542 nan 8.310 nan 0.000 0.531 47 N N -0.035 118.677 118.700 0.019 0.000 2.238 47 N HA 0.387 5.127 4.740 0.000 0.000 0.235 47 N C 1.212 176.732 175.510 0.017 0.000 1.209 47 N CA 0.303 53.363 53.050 0.017 0.000 0.879 47 N CB 0.384 38.883 38.487 0.019 0.000 1.136 47 N HN 0.234 nan 8.380 nan 0.000 0.517 48 A N 0.572 123.400 122.820 0.014 0.000 1.892 48 A HA -0.226 4.094 4.320 0.000 0.000 0.218 48 A C 2.199 179.790 177.584 0.011 0.000 1.188 48 A CA 2.265 54.309 52.037 0.012 0.000 0.631 48 A CB -0.682 18.314 19.000 -0.006 0.000 0.822 48 A HN 0.400 nan 8.150 nan 0.000 0.447 49 S N -0.696 115.008 115.700 0.008 0.000 2.436 49 S HA -0.110 4.360 4.470 0.000 0.000 0.228 49 S C 1.862 176.467 174.600 0.010 0.000 1.014 49 S CA 1.536 59.741 58.200 0.009 0.000 0.950 49 S CB -1.024 62.181 63.200 0.008 0.000 0.784 49 S HN 0.793 nan 8.310 nan 0.000 0.504 50 T N 0.980 115.539 114.554 0.008 0.000 2.896 50 T HA 0.190 4.540 4.350 0.000 0.000 0.263 50 T C 1.786 176.486 174.700 0.001 0.000 1.050 50 T CA 0.553 62.655 62.100 0.005 0.000 1.140 50 T CB -0.802 68.068 68.868 0.004 0.000 0.877 50 T HN 0.335 nan 8.240 nan 0.000 0.457 51 I N 1.273 121.846 120.570 0.005 0.000 2.113 51 I HA -0.206 3.964 4.170 0.000 0.000 0.242 51 I C 2.708 178.824 176.117 -0.001 0.000 1.064 51 I CA 1.278 62.580 61.300 0.004 0.000 1.320 51 I CB -0.541 37.475 38.000 0.027 0.000 1.028 51 I HN 0.125 nan 8.210 nan 0.000 0.406 52 V N 0.648 120.568 119.914 0.009 0.000 2.244 52 V HA -0.282 3.838 4.120 0.000 0.000 0.244 52 V C 2.642 178.730 176.094 -0.011 0.000 1.042 52 V CA 2.246 64.549 62.300 0.005 0.000 1.006 52 V CB -0.825 31.008 31.823 0.017 0.000 0.641 52 V HN 0.643 nan 8.190 nan 0.000 0.446 53 S N 0.896 116.598 115.700 0.002 0.000 2.353 53 S HA -0.273 4.197 4.470 0.000 0.000 0.222 53 S C 1.838 176.429 174.600 -0.015 0.000 1.035 53 S CA 1.875 60.080 58.200 0.008 0.000 1.025 53 S CB -0.818 62.395 63.200 0.021 0.000 0.902 53 S HN 0.592 nan 8.310 nan 0.000 0.440 54 N N 2.911 121.599 118.700 -0.019 0.000 2.069 54 N HA -0.005 4.735 4.740 0.000 0.000 0.191 54 N C 2.082 177.553 175.510 -0.066 0.000 1.031 54 N CA 1.636 54.667 53.050 -0.032 0.000 0.852 54 N CB -1.190 37.281 38.487 -0.026 0.000 1.018 54 N HN 0.632 nan 8.380 nan 0.000 0.423 55 A N 1.090 123.865 122.820 -0.075 0.000 1.883 55 A HA -0.073 4.247 4.320 0.000 0.000 0.217 55 A C 2.403 179.863 177.584 -0.206 0.000 1.186 55 A CA 2.346 54.316 52.037 -0.112 0.000 0.624 55 A CB -1.022 17.926 19.000 -0.086 0.000 0.822 55 A HN 0.348 nan 8.150 nan 0.000 0.444 56 A N -0.479 122.200 122.820 -0.234 0.000 1.877 56 A HA -0.174 4.146 4.320 0.000 0.000 0.216 56 A C 2.258 179.464 177.584 -0.631 0.000 1.186 56 A CA 1.874 53.610 52.037 -0.503 0.000 0.620 56 A CB -0.537 18.316 19.000 -0.246 0.000 0.822 56 A HN 0.588 nan 8.150 nan 0.000 0.443 57 R N -0.425 119.960 120.500 -0.192 0.000 2.083 57 R HA -0.146 4.194 4.340 0.000 0.000 0.237 57 R C 2.493 178.756 176.300 -0.062 0.000 1.137 57 R CA 1.977 58.068 56.100 -0.014 0.000 0.951 57 R CB -0.414 29.907 30.300 0.036 0.000 0.851 57 R HN 0.495 nan 8.270 nan 0.000 0.434 58 S N 0.260 115.891 115.700 -0.114 0.000 2.368 58 S HA -0.139 4.331 4.470 0.000 0.000 0.225 58 S C 1.926 176.457 174.600 -0.115 0.000 1.030 58 S CA 1.237 59.385 58.200 -0.087 0.000 0.999 58 S CB -0.356 62.792 63.200 -0.086 0.000 0.844 58 S HN 0.384 nan 8.310 nan 0.000 0.459 59 L N 0.955 122.032 121.223 -0.242 0.000 2.012 59 L HA -0.008 4.332 4.340 0.000 0.000 0.210 59 L C 1.885 178.683 176.870 -0.120 0.000 1.073 59 L CA 2.108 56.797 54.840 -0.251 0.000 0.748 59 L CB -1.189 40.611 42.059 -0.433 0.000 0.891 59 L HN 0.340 nan 8.230 nan 0.000 0.431 60 F N 0.224 120.174 119.950 -0.000 0.000 2.186 60 F HA -0.029 4.498 4.527 0.000 0.000 0.299 60 F C 2.589 178.389 175.800 0.001 0.000 1.090 60 F CA 0.782 58.783 58.000 0.002 0.000 1.307 60 F CB -1.761 37.243 39.000 0.008 0.000 1.019 60 F HN 0.222 nan 8.300 nan 0.000 0.489 61 A N 0.002 122.914 122.820 0.154 0.000 1.902 61 A HA -0.186 4.134 4.320 0.000 0.000 0.217 61 A C 2.148 179.768 177.584 0.060 0.000 1.181 61 A CA 1.687 53.778 52.037 0.089 0.000 0.623 61 A CB -0.742 18.288 19.000 0.050 0.000 0.818 61 A HN 0.426 nan 8.150 nan 0.000 0.443 62 E N -0.838 119.386 120.200 0.039 0.000 2.274 62 E HA -0.076 4.274 4.350 0.000 0.000 0.194 62 E C 0.395 177.017 176.600 0.036 0.000 0.996 62 E CA 0.642 57.055 56.400 0.022 0.000 0.840 62 E CB 0.054 29.753 29.700 -0.000 0.000 0.772 62 E HN 0.651 nan 8.360 nan 0.000 0.491 63 Q N -0.050 119.792 119.800 0.070 0.000 3.075 63 Q HA 0.114 4.454 4.340 0.000 0.000 0.318 63 Q C -2.104 173.954 176.000 0.097 0.000 0.907 63 Q CA -1.331 54.517 55.803 0.075 0.000 0.882 63 Q CB 1.325 30.107 28.738 0.073 0.000 1.386 63 Q HN 0.078 nan 8.270 nan 0.000 0.408 64 P HA -0.246 nan 4.420 nan 0.000 0.220 64 P C 1.270 178.585 177.300 0.025 0.000 1.148 64 P CA 1.154 64.286 63.100 0.052 0.000 0.803 64 P CB 0.243 31.960 31.700 0.029 0.000 0.782 65 Q N 0.167 119.980 119.800 0.022 0.000 2.368 65 Q HA -0.130 4.210 4.340 0.000 0.000 0.210 65 Q C 1.957 177.963 176.000 0.010 0.000 0.982 65 Q CA 1.213 57.018 55.803 0.005 0.000 0.884 65 Q CB -1.360 27.381 28.738 0.006 0.000 0.933 65 Q HN 0.323 nan 8.270 nan 0.000 0.460 66 L N 0.739 121.986 121.223 0.040 0.000 2.217 66 L HA 0.005 4.345 4.340 0.000 0.000 0.211 66 L C 2.297 179.153 176.870 -0.023 0.000 1.107 66 L CA 0.992 55.859 54.840 0.044 0.000 0.783 66 L CB -0.169 41.979 42.059 0.148 0.000 0.919 66 L HN 0.315 nan 8.230 nan 0.000 0.442 67 I N -4.289 116.243 120.570 -0.063 0.000 4.154 67 I HA 0.361 4.531 4.170 0.000 0.000 0.334 67 I C 1.047 177.138 176.117 -0.043 0.000 1.371 67 I CA -0.518 60.723 61.300 -0.099 0.000 1.110 67 I CB -0.014 37.837 38.000 -0.247 0.000 1.085 67 I HN -0.093 nan 8.210 nan 0.000 0.398 68 A N 2.908 125.685 122.820 -0.072 0.000 2.531 68 A HA 0.366 4.686 4.320 0.000 0.000 0.236 68 A C -2.283 175.120 177.584 -0.303 0.000 1.062 68 A CA -0.722 51.227 52.037 -0.146 0.000 0.760 68 A CB -0.783 18.152 19.000 -0.109 0.000 0.995 68 A HN 0.145 nan 8.150 nan 0.000 0.501 69 P HA 0.235 nan 4.420 nan 0.000 0.264 69 P C 1.105 178.091 177.300 -0.524 0.000 1.183 69 P CA 1.877 64.206 63.100 -1.284 0.000 0.763 69 P CB 0.630 31.737 31.700 -0.988 0.000 0.807 70 G N 1.736 110.366 108.800 -0.284 0.000 2.279 70 G HA2 -0.151 3.809 3.960 0.000 0.000 0.223 70 G HA3 -0.151 3.809 3.960 0.000 0.000 0.223 70 G C 0.621 175.539 174.900 0.030 0.000 1.015 70 G CA -0.189 44.888 45.100 -0.039 0.000 0.621 70 G HN 0.882 nan 8.290 nan 0.000 0.506 71 G N -0.280 108.533 108.800 0.022 0.000 2.569 71 G HA2 0.412 4.372 3.960 0.000 0.000 0.249 71 G HA3 0.412 4.372 3.960 0.000 0.000 0.249 71 G C 0.798 175.745 174.900 0.079 0.000 1.216 71 G CA 0.523 45.647 45.100 0.041 0.000 0.845 71 G HN 0.310 nan 8.290 nan 0.000 0.568 72 N N 0.596 119.323 118.700 0.045 0.000 2.364 72 N HA -0.118 4.622 4.740 0.000 0.000 0.183 72 N C 1.860 177.387 175.510 0.029 0.000 1.022 72 N CA 0.915 53.987 53.050 0.036 0.000 0.883 72 N CB 0.057 38.552 38.487 0.013 0.000 0.965 72 N HN 0.470 nan 8.380 nan 0.000 0.438 73 A N -0.488 122.342 122.820 0.017 0.000 2.387 73 A HA 0.065 4.385 4.320 0.000 0.000 0.234 73 A C 0.082 177.625 177.584 -0.068 0.000 1.253 73 A CA -0.498 51.513 52.037 -0.042 0.000 0.894 73 A CB -0.177 18.766 19.000 -0.096 0.000 0.963 73 A HN 0.393 nan 8.150 nan 0.000 0.508 74 Y N 2.297 122.532 120.300 -0.107 0.000 2.336 74 Y HA 0.394 4.944 4.550 0.000 0.000 0.331 74 Y C 0.730 176.590 175.900 -0.067 0.000 1.211 74 Y CA 0.751 58.792 58.100 -0.097 0.000 1.346 74 Y CB 0.293 38.710 38.460 -0.073 0.000 1.271 74 Y HN 0.819 nan 8.280 nan 0.000 0.538 75 T N 1.015 114.966 114.554 -1.006 0.000 0.541 75 T HA -0.172 4.178 4.350 0.000 0.000 0.774 75 T C 0.387 174.893 174.700 -0.323 0.000 0.992 75 T CA 0.049 61.725 62.100 -0.706 0.000 4.077 75 T CB -1.697 66.860 68.868 -0.519 0.000 2.303 75 T HN 0.778 nan 8.240 nan 0.000 0.398 76 S N 0.912 116.475 115.700 -0.229 0.000 2.368 76 S HA -0.096 4.374 4.470 0.000 0.000 0.224 76 S C 2.309 176.852 174.600 -0.094 0.000 1.029 76 S CA 1.725 59.846 58.200 -0.131 0.000 0.988 76 S CB -0.689 62.455 63.200 -0.094 0.000 0.838 76 S HN 1.108 nan 8.310 nan 0.000 0.462 77 T N 2.002 116.501 114.554 -0.093 0.000 2.653 77 T HA -0.175 4.175 4.350 0.000 0.000 0.268 77 T C 1.912 176.585 174.700 -0.045 0.000 1.035 77 T CA 1.415 63.481 62.100 -0.057 0.000 1.154 77 T CB -0.167 68.672 68.868 -0.048 0.000 0.862 77 T HN 0.355 nan 8.240 nan 0.000 0.441 78 R N -0.402 120.056 120.500 -0.070 0.000 2.075 78 R HA 0.085 4.425 4.340 0.000 0.000 0.226 78 R C 2.469 178.754 176.300 -0.026 0.000 1.114 78 R CA 1.359 57.435 56.100 -0.039 0.000 0.972 78 R CB -0.499 29.774 30.300 -0.046 0.000 0.869 78 R HN 0.376 nan 8.270 nan 0.000 0.437 79 M N 1.516 121.079 119.600 -0.061 0.000 2.108 79 M HA -0.107 4.373 4.480 0.000 0.000 0.261 79 M C 2.122 178.434 176.300 0.020 0.000 1.066 79 M CA 1.729 57.005 55.300 -0.039 0.000 1.107 79 M CB -0.487 32.059 32.600 -0.091 0.000 1.356 79 M HN 0.127 nan 8.290 nan 0.000 0.406 80 A N -0.188 122.633 122.820 0.003 0.000 1.883 80 A HA -0.005 4.315 4.320 0.000 0.000 0.217 80 A C 2.422 180.029 177.584 0.039 0.000 1.186 80 A CA 2.467 54.516 52.037 0.020 0.000 0.624 80 A CB -1.560 17.442 19.000 0.004 0.000 0.822 80 A HN 0.692 nan 8.150 nan 0.000 0.444 81 A N -1.259 121.583 122.820 0.036 0.000 1.933 81 A HA -0.199 4.121 4.320 0.000 0.000 0.218 81 A C 2.419 180.051 177.584 0.081 0.000 1.175 81 A CA 1.752 53.821 52.037 0.054 0.000 0.628 81 A CB -1.378 17.651 19.000 0.050 0.000 0.814 81 A HN 0.869 nan 8.150 nan 0.000 0.444 82 C N -0.567 118.785 119.300 0.086 0.000 2.446 82 C HA 0.029 4.489 4.460 0.000 0.000 0.277 82 C C 2.592 177.656 174.990 0.123 0.000 1.275 82 C CA 1.063 60.150 59.018 0.116 0.000 1.727 82 C CB -1.525 26.309 27.740 0.157 0.000 2.010 82 C HN 0.579 nan 8.230 nan 0.000 0.486 83 L N 0.478 121.774 121.223 0.122 0.000 2.046 83 L HA -0.104 4.236 4.340 0.000 0.000 0.208 83 L C 3.065 179.979 176.870 0.073 0.000 1.077 83 L CA 1.681 56.581 54.840 0.100 0.000 0.747 83 L CB -0.845 41.270 42.059 0.094 0.000 0.896 83 L HN 0.375 nan 8.230 nan 0.000 0.432 84 R N 0.269 120.810 120.500 0.069 0.000 2.096 84 R HA -0.181 4.159 4.340 0.000 0.000 0.235 84 R C 1.638 177.982 176.300 0.073 0.000 1.127 84 R CA 1.839 57.975 56.100 0.059 0.000 0.968 84 R CB -0.116 30.216 30.300 0.054 0.000 0.861 84 R HN 0.337 nan 8.270 nan 0.000 0.440 85 D N -0.119 120.339 120.400 0.096 0.000 2.183 85 D HA -0.116 4.524 4.640 0.000 0.000 0.203 85 D C 1.929 178.294 176.300 0.108 0.000 0.969 85 D CA 0.893 54.967 54.000 0.123 0.000 0.842 85 D CB -0.000 40.912 40.800 0.187 0.000 0.957 85 D HN 0.161 nan 8.370 nan 0.000 0.484 86 M N 0.193 119.845 119.600 0.086 0.000 2.117 86 M HA -0.128 4.352 4.480 0.000 0.000 0.262 86 M C 2.168 178.504 176.300 0.059 0.000 1.065 86 M CA 1.201 56.543 55.300 0.070 0.000 1.114 86 M CB -0.736 31.891 32.600 0.045 0.000 1.361 86 M HN 0.120 nan 8.290 nan 0.000 0.408 87 E N 0.738 120.965 120.200 0.045 0.000 2.072 87 E HA -0.148 4.202 4.350 0.000 0.000 0.191 87 E C 2.020 178.619 176.600 -0.001 0.000 0.985 87 E CA 0.950 57.360 56.400 0.016 0.000 0.801 87 E CB -0.002 29.704 29.700 0.010 0.000 0.750 87 E HN 0.447 nan 8.360 nan 0.000 0.452 88 I N 0.761 121.352 120.570 0.035 0.000 2.208 88 I HA -0.297 3.873 4.170 0.000 0.000 0.245 88 I C 2.344 178.533 176.117 0.120 0.000 1.097 88 I CA 1.030 62.374 61.300 0.074 0.000 1.363 88 I CB -0.183 37.899 38.000 0.137 0.000 1.051 88 I HN 0.225 nan 8.210 nan 0.000 0.413 89 I N -0.013 120.614 120.570 0.096 0.000 2.179 89 I HA -0.304 3.866 4.170 0.000 0.000 0.242 89 I C 2.475 178.592 176.117 0.000 0.000 1.088 89 I CA 1.208 62.557 61.300 0.081 0.000 1.357 89 I CB -0.281 37.770 38.000 0.085 0.000 1.051 89 I HN 0.215 nan 8.210 nan 0.000 0.409 90 L N 0.972 122.192 121.223 -0.004 0.000 2.083 90 L HA -0.214 4.126 4.340 0.000 0.000 0.209 90 L C 2.612 179.374 176.870 -0.179 0.000 1.083 90 L CA 1.740 56.552 54.840 -0.046 0.000 0.752 90 L CB -0.601 41.479 42.059 0.035 0.000 0.899 90 L HN 0.098 nan 8.230 nan 0.000 0.433 91 R N -1.819 118.525 120.500 -0.261 0.000 2.080 91 R HA -0.235 4.105 4.340 0.000 0.000 0.236 91 R C 2.299 178.048 176.300 -0.918 0.000 1.137 91 R CA 2.215 57.964 56.100 -0.584 0.000 0.943 91 R CB -0.598 29.323 30.300 -0.631 0.000 0.846 91 R HN 0.419 nan 8.270 nan 0.000 0.431 92 Y N -0.057 119.930 120.300 -0.522 0.000 2.224 92 Y HA -0.176 4.374 4.550 0.000 0.000 0.289 92 Y C 2.318 178.051 175.900 -0.278 0.000 1.146 92 Y CA 1.231 59.104 58.100 -0.379 0.000 1.182 92 Y CB -0.303 38.057 38.460 -0.166 0.000 0.983 92 Y HN -0.098 nan 8.280 nan 0.000 0.524 93 V N -0.116 119.687 119.914 -0.184 0.000 2.287 93 V HA -0.366 3.754 4.120 0.000 0.000 0.248 93 V C 2.560 178.531 176.094 -0.205 0.000 1.053 93 V CA 2.518 64.644 62.300 -0.289 0.000 1.027 93 V CB -1.387 30.069 31.823 -0.612 0.000 0.646 93 V HN 0.657 nan 8.190 nan 0.000 0.447 94 T N -2.163 112.273 114.554 -0.195 0.000 2.788 94 T HA -0.260 4.090 4.350 0.000 0.000 0.268 94 T C 1.854 176.595 174.700 0.068 0.000 1.044 94 T CA 1.712 63.775 62.100 -0.062 0.000 1.139 94 T CB -0.540 68.287 68.868 -0.069 0.000 0.867 94 T HN 0.389 nan 8.240 nan 0.000 0.454 95 Y N 2.384 122.623 120.300 -0.103 0.000 2.097 95 Y HA 0.087 4.637 4.550 0.000 0.000 0.282 95 Y C 3.217 179.100 175.900 -0.028 0.000 1.152 95 Y CA 0.249 58.309 58.100 -0.067 0.000 1.136 95 Y CB -1.604 36.792 38.460 -0.106 0.000 0.975 95 Y HN 0.387 nan 8.280 nan 0.000 0.498 96 A N -0.158 122.651 122.820 -0.018 0.000 1.883 96 A HA -0.156 4.164 4.320 0.000 0.000 0.217 96 A C 2.559 179.983 177.584 -0.266 0.000 1.186 96 A CA 2.146 53.981 52.037 -0.337 0.000 0.624 96 A CB -1.267 17.166 19.000 -0.944 0.000 0.822 96 A HN 0.236 nan 8.150 nan 0.000 0.444 97 V N -1.133 118.724 119.914 -0.094 0.000 2.282 97 V HA -0.309 3.811 4.120 0.000 0.000 0.249 97 V C 2.327 178.531 176.094 0.184 0.000 1.057 97 V CA 2.426 64.848 62.300 0.203 0.000 1.032 97 V CB -1.016 30.940 31.823 0.222 0.000 0.645 97 V HN 0.656 nan 8.190 nan 0.000 0.447 98 F N 1.204 121.186 119.950 0.053 0.000 2.171 98 F HA -0.071 4.456 4.527 0.000 0.000 0.300 98 F C 2.149 177.974 175.800 0.042 0.000 1.090 98 F CA 1.478 59.511 58.000 0.055 0.000 1.293 98 F CB -0.268 38.770 39.000 0.063 0.000 1.013 98 F HN 0.069 nan 8.300 nan 0.000 0.486 99 A N -0.172 122.750 122.820 0.170 0.000 2.132 99 A HA 0.326 4.646 4.320 0.000 0.000 0.213 99 A C 1.755 179.336 177.584 -0.006 0.000 1.154 99 A CA 0.676 52.753 52.037 0.065 0.000 0.753 99 A CB -1.286 17.793 19.000 0.131 0.000 0.826 99 A HN 0.950 nan 8.150 nan 0.000 0.469 100 G N -0.585 108.225 108.800 0.017 0.000 2.272 100 G HA2 -0.157 3.803 3.960 0.000 0.000 0.280 100 G HA3 -0.157 3.803 3.960 0.000 0.000 0.280 100 G C -0.311 174.633 174.900 0.073 0.000 1.067 100 G CA 0.703 45.829 45.100 0.044 0.000 0.902 100 G HN 0.861 nan 8.290 nan 0.000 0.500 101 D N -2.284 118.157 120.400 0.069 0.000 2.787 101 D HA 0.596 5.236 4.640 0.000 0.000 0.215 101 D C 0.798 177.091 176.300 -0.012 0.000 1.246 101 D CA 0.387 54.441 54.000 0.090 0.000 0.798 101 D CB 0.256 41.124 40.800 0.113 0.000 1.649 101 D HN 0.586 nan 8.370 nan 0.000 0.507 102 A N 1.954 124.817 122.820 0.071 0.000 2.168 102 A HA -0.001 4.319 4.320 0.000 0.000 0.215 102 A C 2.025 179.611 177.584 0.004 0.000 1.152 102 A CA 1.541 53.571 52.037 -0.012 0.000 0.716 102 A CB -0.652 18.458 19.000 0.184 0.000 0.794 102 A HN 0.617 nan 8.150 nan 0.000 0.465 103 S N -0.051 115.690 115.700 0.069 0.000 2.359 103 S HA -0.218 4.252 4.470 0.000 0.000 0.223 103 S C 1.840 176.448 174.600 0.013 0.000 1.039 103 S CA 1.542 59.785 58.200 0.072 0.000 1.042 103 S CB -1.302 61.989 63.200 0.152 0.000 0.915 103 S HN 0.680 nan 8.310 nan 0.000 0.439 104 V N 1.613 121.540 119.914 0.021 0.000 2.332 104 V HA -0.127 3.993 4.120 0.000 0.000 0.248 104 V C 2.389 178.529 176.094 0.076 0.000 1.055 104 V CA 2.173 64.511 62.300 0.063 0.000 1.038 104 V CB -0.656 31.244 31.823 0.128 0.000 0.651 104 V HN 0.587 nan 8.190 nan 0.000 0.450 105 L N 0.137 121.386 121.223 0.044 0.000 2.027 105 L HA -0.071 4.269 4.340 0.000 0.000 0.206 105 L C 2.495 179.313 176.870 -0.086 0.000 1.074 105 L CA 2.133 56.965 54.840 -0.013 0.000 0.745 105 L CB -0.951 41.081 42.059 -0.044 0.000 0.898 105 L HN 0.300 nan 8.230 nan 0.000 0.433 106 E N 0.295 120.469 120.200 -0.043 0.000 2.023 106 E HA -0.215 4.135 4.350 0.000 0.000 0.196 106 E C 1.954 178.510 176.600 -0.073 0.000 1.003 106 E CA 1.704 58.081 56.400 -0.037 0.000 0.809 106 E CB -0.474 29.230 29.700 0.007 0.000 0.755 106 E HN 0.586 nan 8.360 nan 0.000 0.449 107 D N 0.063 120.422 120.400 -0.068 0.000 2.097 107 D HA -0.100 4.540 4.640 0.000 0.000 0.197 107 D C 1.840 178.065 176.300 -0.124 0.000 0.984 107 D CA 1.061 55.013 54.000 -0.080 0.000 0.826 107 D CB -0.160 40.597 40.800 -0.072 0.000 0.973 107 D HN 0.123 nan 8.370 nan 0.000 0.460 108 R N -0.990 119.402 120.500 -0.180 0.000 2.362 108 R HA 0.233 4.573 4.340 0.000 0.000 0.227 108 R C 1.405 177.421 176.300 -0.472 0.000 0.905 108 R CA -0.036 55.913 56.100 -0.251 0.000 1.067 108 R CB 0.520 30.724 30.300 -0.160 0.000 1.078 108 R HN 0.202 nan 8.270 nan 0.000 0.516 109 C N -0.813 118.194 119.300 -0.488 0.000 2.646 109 C HA 0.277 4.737 4.460 0.000 0.000 0.428 109 C C 2.002 176.830 174.990 -0.270 0.000 1.492 109 C CA -0.182 58.519 59.018 -0.527 0.000 2.538 109 C CB -0.351 26.913 27.740 -0.793 0.000 2.609 109 C HN 0.337 nan 8.230 nan 0.000 0.594 110 L N 1.748 122.856 121.223 -0.191 0.000 2.131 110 L HA 0.066 4.406 4.340 0.000 0.000 0.206 110 L C 1.154 177.963 176.870 -0.102 0.000 1.087 110 L CA 0.890 55.663 54.840 -0.112 0.000 0.767 110 L CB -0.842 41.181 42.059 -0.060 0.000 0.917 110 L HN 0.539 nan 8.230 nan 0.000 0.441 111 N N 0.774 119.414 118.700 -0.100 0.000 2.434 111 N HA -0.005 4.735 4.740 0.000 0.000 0.268 111 N C 0.905 176.361 175.510 -0.090 0.000 1.256 111 N CA 1.095 54.099 53.050 -0.077 0.000 0.914 111 N CB 0.857 39.306 38.487 -0.064 0.000 1.088 111 N HN 0.391 nan 8.380 nan 0.000 0.478 112 G N 3.156 111.909 108.800 -0.078 0.000 2.234 112 G HA2 -0.282 3.678 3.960 0.000 0.000 0.235 112 G HA3 -0.282 3.678 3.960 0.000 0.000 0.235 112 G C 0.768 175.594 174.900 -0.124 0.000 0.997 112 G CA 0.264 45.313 45.100 -0.085 0.000 0.623 112 G HN 0.549 nan 8.290 nan 0.000 0.514 113 L N 1.407 122.534 121.223 -0.159 0.000 2.017 113 L HA 0.188 4.528 4.340 0.000 0.000 0.208 113 L C 2.747 179.465 176.870 -0.253 0.000 1.073 113 L CA 3.084 57.759 54.840 -0.275 0.000 0.745 113 L CB -0.669 41.229 42.059 -0.268 0.000 0.894 113 L HN 0.463 nan 8.230 nan 0.000 0.432 114 R N -0.632 119.815 120.500 -0.088 0.000 2.113 114 R HA -0.252 4.088 4.340 0.000 0.000 0.244 114 R C 2.028 178.335 176.300 0.012 0.000 1.142 114 R CA 2.107 58.214 56.100 0.012 0.000 0.953 114 R CB -0.148 30.169 30.300 0.028 0.000 0.860 114 R HN 0.403 nan 8.270 nan 0.000 0.438 115 E N -0.445 119.738 120.200 -0.028 0.000 2.072 115 E HA -0.103 4.247 4.350 0.000 0.000 0.191 115 E C 1.984 178.570 176.600 -0.023 0.000 0.985 115 E CA 1.966 58.357 56.400 -0.016 0.000 0.801 115 E CB -0.341 29.344 29.700 -0.025 0.000 0.750 115 E HN 0.385 nan 8.360 nan 0.000 0.452 116 T N 0.494 114.994 114.554 -0.091 0.000 2.635 116 T HA -0.202 4.148 4.350 0.000 0.000 0.267 116 T C 1.450 176.153 174.700 0.006 0.000 1.040 116 T CA 1.578 63.616 62.100 -0.103 0.000 1.156 116 T CB -0.561 68.167 68.868 -0.234 0.000 0.863 116 T HN 0.133 nan 8.240 nan 0.000 0.430 117 Y N 0.927 121.231 120.300 0.008 0.000 2.224 117 Y HA 0.006 4.556 4.550 0.000 0.000 0.289 117 Y C 2.389 178.298 175.900 0.014 0.000 1.146 117 Y CA -0.360 57.748 58.100 0.014 0.000 1.182 117 Y CB -0.980 37.490 38.460 0.017 0.000 0.983 117 Y HN 0.082 nan 8.280 nan 0.000 0.524 118 L N -0.226 121.095 121.223 0.163 0.000 1.989 118 L HA -0.215 4.125 4.340 0.000 0.000 0.211 118 L C 2.476 179.391 176.870 0.075 0.000 1.071 118 L CA 2.192 57.090 54.840 0.097 0.000 0.749 118 L CB -1.609 40.487 42.059 0.063 0.000 0.890 118 L HN 0.232 nan 8.230 nan 0.000 0.431 119 A N -0.822 122.035 122.820 0.062 0.000 1.940 119 A HA -0.204 4.116 4.320 0.000 0.000 0.219 119 A C 2.306 179.923 177.584 0.054 0.000 1.176 119 A CA 1.676 53.740 52.037 0.045 0.000 0.631 119 A CB -0.553 18.465 19.000 0.029 0.000 0.814 119 A HN 0.486 nan 8.150 nan 0.000 0.446 120 L N -2.189 119.083 121.223 0.082 0.000 2.270 120 L HA 0.177 4.517 4.340 0.000 0.000 0.210 120 L C 1.842 178.753 176.870 0.069 0.000 1.104 120 L CA 0.769 55.659 54.840 0.083 0.000 0.804 120 L CB -0.124 42.011 42.059 0.127 0.000 0.937 120 L HN 0.599 nan 8.230 nan 0.000 0.450 121 G N -0.443 108.400 108.800 0.071 0.000 2.159 121 G HA2 -0.218 3.742 3.960 0.000 0.000 0.227 121 G HA3 -0.218 3.742 3.960 0.000 0.000 0.227 121 G C 0.279 175.198 174.900 0.031 0.000 0.986 121 G CA 0.036 45.165 45.100 0.047 0.000 0.651 121 G HN 0.208 nan 8.290 nan 0.000 0.523 122 T N 3.574 118.150 114.554 0.036 0.000 2.814 122 T HA 0.482 4.832 4.350 0.000 0.000 0.297 122 T C -1.980 172.652 174.700 -0.114 0.000 0.956 122 T CA -0.296 61.760 62.100 -0.073 0.000 1.123 122 T CB 1.702 70.447 68.868 -0.206 0.000 0.902 122 T HN 0.199 nan 8.240 nan 0.000 0.528 123 P HA 0.202 nan 4.420 nan 0.000 0.277 123 P C 1.193 178.414 177.300 -0.132 0.000 1.354 123 P CA -0.267 62.785 63.100 -0.079 0.000 0.891 123 P CB 0.598 32.274 31.700 -0.040 0.000 1.058 124 G N 4.107 112.853 108.800 -0.089 0.000 2.529 124 G HA2 -0.355 3.605 3.960 0.000 0.000 0.219 124 G HA3 -0.355 3.605 3.960 0.000 0.000 0.219 124 G C 1.590 176.480 174.900 -0.017 0.000 1.177 124 G CA 1.327 46.405 45.100 -0.036 0.000 0.773 124 G HN 0.510 nan 8.290 nan 0.000 0.573 125 S N 0.627 116.326 115.700 -0.002 0.000 2.389 125 S HA -0.209 4.261 4.470 0.000 0.000 0.231 125 S C 2.427 177.020 174.600 -0.010 0.000 1.052 125 S CA 1.994 60.196 58.200 0.003 0.000 1.053 125 S CB -0.636 62.566 63.200 0.004 0.000 0.886 125 S HN 0.316 nan 8.310 nan 0.000 0.456 126 S N 1.488 117.170 115.700 -0.029 0.000 2.348 126 S HA -0.036 4.434 4.470 0.000 0.000 0.221 126 S C 2.068 176.641 174.600 -0.045 0.000 1.033 126 S CA 1.260 59.440 58.200 -0.032 0.000 1.010 126 S CB -0.692 62.492 63.200 -0.028 0.000 0.891 126 S HN 0.450 nan 8.310 nan 0.000 0.442 127 V N 2.287 122.156 119.914 -0.075 0.000 2.324 127 V HA -0.262 3.858 4.120 0.000 0.000 0.250 127 V C 2.620 178.719 176.094 0.009 0.000 1.060 127 V CA 1.808 64.077 62.300 -0.053 0.000 1.042 127 V CB -1.321 30.451 31.823 -0.085 0.000 0.650 127 V HN 0.550 nan 8.190 nan 0.000 0.450 128 A N -0.284 122.548 122.820 0.020 0.000 1.930 128 A HA -0.129 4.191 4.320 0.000 0.000 0.217 128 A C 2.397 179.993 177.584 0.020 0.000 1.175 128 A CA 1.912 53.973 52.037 0.040 0.000 0.627 128 A CB -0.623 18.402 19.000 0.042 0.000 0.815 128 A HN 0.347 nan 8.150 nan 0.000 0.443 129 V N 0.065 119.977 119.914 -0.004 0.000 2.287 129 V HA -0.216 3.904 4.120 0.000 0.000 0.248 129 V C 2.857 178.930 176.094 -0.036 0.000 1.053 129 V CA 2.023 64.310 62.300 -0.021 0.000 1.027 129 V CB -1.612 30.193 31.823 -0.029 0.000 0.646 129 V HN 0.599 nan 8.190 nan 0.000 0.447 130 G N -0.025 108.747 108.800 -0.047 0.000 2.491 130 G HA2 -0.258 3.702 3.960 0.000 0.000 0.218 130 G HA3 -0.258 3.702 3.960 0.000 0.000 0.218 130 G C 1.695 176.586 174.900 -0.014 0.000 1.180 130 G CA 1.434 46.497 45.100 -0.062 0.000 0.774 130 G HN 0.366 nan 8.290 nan 0.000 0.562 131 V N 1.660 121.598 119.914 0.039 0.000 2.282 131 V HA -0.153 3.967 4.120 0.000 0.000 0.249 131 V C 3.166 179.295 176.094 0.058 0.000 1.057 131 V CA 2.226 64.595 62.300 0.115 0.000 1.032 131 V CB -1.205 30.714 31.823 0.161 0.000 0.645 131 V HN 0.480 nan 8.190 nan 0.000 0.447 132 G N -0.742 108.066 108.800 0.013 0.000 2.450 132 G HA2 -0.242 3.718 3.960 0.000 0.000 0.220 132 G HA3 -0.242 3.718 3.960 0.000 0.000 0.220 132 G C 1.672 176.509 174.900 -0.105 0.000 1.130 132 G CA 0.853 45.928 45.100 -0.042 0.000 0.760 132 G HN 0.494 nan 8.290 nan 0.000 0.557 133 K N -0.515 119.832 120.400 -0.089 0.000 2.031 133 K HA 0.141 4.461 4.320 0.000 0.000 0.205 133 K C 2.652 179.168 176.600 -0.141 0.000 1.049 133 K CA 0.829 57.053 56.287 -0.106 0.000 0.939 133 K CB -0.225 32.220 32.500 -0.092 0.000 0.717 133 K HN 0.247 nan 8.250 nan 0.000 0.438 134 M N 1.166 120.693 119.600 -0.121 0.000 2.082 134 M HA -0.234 4.246 4.480 0.000 0.000 0.258 134 M C 2.378 178.424 176.300 -0.424 0.000 1.069 134 M CA 1.591 56.814 55.300 -0.129 0.000 1.102 134 M CB -0.272 32.362 32.600 0.058 0.000 1.336 134 M HN 0.074 nan 8.290 nan 0.000 0.404 135 K N 0.599 120.547 120.400 -0.753 0.000 2.044 135 K HA -0.230 4.090 4.320 0.000 0.000 0.210 135 K C 1.689 177.916 176.600 -0.621 0.000 1.049 135 K CA 1.783 57.283 56.287 -1.312 0.000 0.927 135 K CB -0.173 31.825 32.500 -0.838 0.000 0.713 135 K HN 0.420 nan 8.250 nan 0.000 0.443 136 E N -0.389 119.605 120.200 -0.344 0.000 2.038 136 E HA -0.200 4.150 4.350 0.000 0.000 0.195 136 E C 1.940 178.440 176.600 -0.167 0.000 1.000 136 E CA 1.286 57.564 56.400 -0.203 0.000 0.803 136 E CB -0.128 29.489 29.700 -0.137 0.000 0.750 136 E HN 0.446 nan 8.360 nan 0.000 0.448 137 A N 1.166 123.892 122.820 -0.156 0.000 1.930 137 A HA -0.095 4.225 4.320 0.000 0.000 0.217 137 A C 2.324 179.859 177.584 -0.081 0.000 1.175 137 A CA 1.648 53.627 52.037 -0.096 0.000 0.627 137 A CB -0.568 18.387 19.000 -0.076 0.000 0.815 137 A HN 0.324 nan 8.150 nan 0.000 0.443 138 A N 0.079 122.825 122.820 -0.123 0.000 1.851 138 A HA -0.103 4.217 4.320 0.000 0.000 0.216 138 A C 2.182 179.752 177.584 -0.024 0.000 1.195 138 A CA 1.609 53.623 52.037 -0.040 0.000 0.622 138 A CB -0.777 18.218 19.000 -0.009 0.000 0.831 138 A HN 0.471 nan 8.150 nan 0.000 0.444 139 L N -0.739 120.437 121.223 -0.078 0.000 2.012 139 L HA -0.247 4.093 4.340 0.000 0.000 0.210 139 L C 3.128 179.984 176.870 -0.023 0.000 1.073 139 L CA 1.197 56.017 54.840 -0.035 0.000 0.748 139 L CB -0.706 41.315 42.059 -0.063 0.000 0.891 139 L HN 0.464 nan 8.230 nan 0.000 0.431 140 A N 0.131 122.927 122.820 -0.040 0.000 1.948 140 A HA -0.240 4.080 4.320 0.000 0.000 0.220 140 A C 2.214 179.792 177.584 -0.010 0.000 1.177 140 A CA 1.934 53.956 52.037 -0.025 0.000 0.636 140 A CB -0.722 18.258 19.000 -0.033 0.000 0.815 140 A HN 0.399 nan 8.150 nan 0.000 0.449 141 I N -1.000 119.568 120.570 -0.004 0.000 2.353 141 I HA -0.155 4.015 4.170 0.000 0.000 0.248 141 I C 2.305 178.435 176.117 0.021 0.000 1.119 141 I CA 0.698 62.004 61.300 0.010 0.000 1.417 141 I CB -0.036 37.974 38.000 0.017 0.000 1.078 141 I HN 0.164 nan 8.210 nan 0.000 0.421 142 V N 0.977 120.908 119.914 0.028 0.000 2.307 142 V HA -0.252 3.868 4.120 0.000 0.000 0.245 142 V C 1.863 177.972 176.094 0.025 0.000 1.045 142 V CA 1.780 64.103 62.300 0.038 0.000 1.024 142 V CB -0.708 31.148 31.823 0.055 0.000 0.651 142 V HN 0.462 nan 8.190 nan 0.000 0.449 143 N N -0.029 118.681 118.700 0.015 0.000 2.550 143 N HA -0.057 4.683 4.740 0.000 0.000 0.186 143 N C 0.641 176.155 175.510 0.007 0.000 1.110 143 N CA 0.287 53.343 53.050 0.009 0.000 0.912 143 N CB -0.379 38.109 38.487 0.002 0.000 0.968 143 N HN 0.466 nan 8.380 nan 0.000 0.448 144 D N 1.617 122.021 120.400 0.008 0.000 2.472 144 D HA 0.001 4.641 4.640 0.000 0.000 0.248 144 D C -1.458 174.846 176.300 0.008 0.000 1.174 144 D CA -1.318 52.686 54.000 0.006 0.000 0.883 144 D CB 1.288 42.093 40.800 0.007 0.000 1.149 144 D HN 0.097 nan 8.370 nan 0.000 0.488 145 P HA 0.088 nan 4.420 nan 0.000 0.225 145 P C -0.247 177.057 177.300 0.007 0.000 1.156 145 P CA 0.156 63.260 63.100 0.006 0.000 0.787 145 P CB 0.169 31.871 31.700 0.004 0.000 0.802 146 A N 0.395 123.219 122.820 0.007 0.000 2.511 146 A HA 0.442 4.762 4.320 0.000 0.000 0.242 146 A C 1.466 179.056 177.584 0.009 0.000 1.069 146 A CA 0.515 52.556 52.037 0.007 0.000 0.763 146 A CB -1.177 17.827 19.000 0.006 0.000 1.001 146 A HN 0.352 nan 8.150 nan 0.000 0.498 147 G N 0.559 109.365 108.800 0.009 0.000 2.198 147 G HA2 -0.197 3.763 3.960 0.000 0.000 0.260 147 G HA3 -0.197 3.763 3.960 0.000 0.000 0.260 147 G C -0.073 174.835 174.900 0.013 0.000 1.025 147 G CA 0.715 45.821 45.100 0.011 0.000 0.769 147 G HN 1.251 nan 8.290 nan 0.000 0.507 148 I N -0.724 119.853 120.570 0.012 0.000 3.006 148 I HA 0.401 4.571 4.170 0.000 0.000 0.306 148 I C 0.230 176.354 176.117 0.012 0.000 1.250 148 I CA -0.868 60.441 61.300 0.014 0.000 0.996 148 I CB 1.812 39.822 38.000 0.017 0.000 1.261 148 I HN 0.009 nan 8.210 nan 0.000 0.442 149 T N 5.979 120.541 114.554 0.013 0.000 2.867 149 T HA 0.191 4.541 4.350 0.000 0.000 0.297 149 T C -2.354 172.352 174.700 0.010 0.000 0.989 149 T CA -0.384 61.723 62.100 0.011 0.000 1.159 149 T CB -0.061 68.814 68.868 0.011 0.000 0.928 149 T HN 0.271 nan 8.240 nan 0.000 0.538 150 P HA 0.514 nan 4.420 nan 0.000 0.271 150 P C 0.240 177.545 177.300 0.007 0.000 1.216 150 P CA -0.052 63.052 63.100 0.007 0.000 0.776 150 P CB 0.742 32.445 31.700 0.006 0.000 0.881 151 G N 0.691 109.495 108.800 0.007 0.000 2.428 151 G HA2 0.395 4.355 3.960 0.000 0.000 0.304 151 G HA3 0.395 4.355 3.960 0.000 0.000 0.304 151 G C -2.019 172.884 174.900 0.005 0.000 1.303 151 G CA -0.551 44.553 45.100 0.006 0.000 0.825 151 G HN 0.485 nan 8.290 nan 0.000 0.484 152 D N -1.089 119.313 120.400 0.004 0.000 2.329 152 D HA 0.493 5.133 4.640 0.000 0.000 0.232 152 D C 0.526 176.829 176.300 0.004 0.000 1.088 152 D CA -0.391 53.611 54.000 0.003 0.000 0.835 152 D CB 1.052 41.852 40.800 0.000 0.000 1.078 152 D HN 0.331 nan 8.370 nan 0.000 0.495 153 C N 2.889 122.192 119.300 0.006 0.000 2.884 153 C HA 0.109 4.569 4.460 0.000 0.000 0.287 153 C C 2.263 177.256 174.990 0.006 0.000 1.310 153 C CA 0.316 59.339 59.018 0.009 0.000 1.725 153 C CB -1.650 26.099 27.740 0.015 0.000 2.060 153 C HN 0.789 nan 8.230 nan 0.000 0.618 154 S N 1.915 117.615 115.700 0.001 0.000 2.368 154 S HA -0.134 4.336 4.470 0.000 0.000 0.225 154 S C 2.074 176.670 174.600 -0.007 0.000 1.030 154 S CA 1.472 59.670 58.200 -0.003 0.000 0.999 154 S CB -0.433 62.764 63.200 -0.006 0.000 0.844 154 S HN 0.595 nan 8.310 nan 0.000 0.459 155 A N 1.738 124.552 122.820 -0.009 0.000 1.908 155 A HA 0.033 4.353 4.320 0.000 0.000 0.218 155 A C 2.264 179.836 177.584 -0.020 0.000 1.181 155 A CA 1.672 53.698 52.037 -0.017 0.000 0.627 155 A CB -0.937 18.052 19.000 -0.018 0.000 0.818 155 A HN 0.512 nan 8.150 nan 0.000 0.445 156 L N -0.319 120.900 121.223 -0.007 0.000 2.027 156 L HA -0.039 4.301 4.340 0.000 0.000 0.206 156 L C 2.800 179.677 176.870 0.011 0.000 1.074 156 L CA 2.071 56.914 54.840 0.005 0.000 0.745 156 L CB -0.999 41.073 42.059 0.021 0.000 0.898 156 L HN 0.369 nan 8.230 nan 0.000 0.433 157 A N -1.739 121.090 122.820 0.015 0.000 1.917 157 A HA -0.293 4.027 4.320 0.000 0.000 0.219 157 A C 2.553 180.138 177.584 0.002 0.000 1.182 157 A CA 2.239 54.288 52.037 0.019 0.000 0.633 157 A CB -1.161 17.845 19.000 0.010 0.000 0.819 157 A HN 0.522 nan 8.150 nan 0.000 0.448 158 S N -1.015 114.673 115.700 -0.020 0.000 2.348 158 S HA -0.213 4.257 4.470 0.000 0.000 0.221 158 S C 2.031 176.579 174.600 -0.087 0.000 1.033 158 S CA 1.630 59.806 58.200 -0.040 0.000 1.010 158 S CB -0.371 62.806 63.200 -0.039 0.000 0.891 158 S HN 0.681 nan 8.310 nan 0.000 0.442 159 E N 0.286 120.414 120.200 -0.119 0.000 2.048 159 E HA -0.203 4.147 4.350 0.000 0.000 0.202 159 E C 2.016 178.389 176.600 -0.377 0.000 1.021 159 E CA 1.911 58.149 56.400 -0.270 0.000 0.825 159 E CB -0.339 29.248 29.700 -0.187 0.000 0.756 159 E HN 0.623 nan 8.360 nan 0.000 0.454 160 I N 0.838 121.348 120.570 -0.100 0.000 2.163 160 I HA -0.312 3.858 4.170 0.000 0.000 0.243 160 I C 2.628 178.864 176.117 0.198 0.000 1.085 160 I CA 1.139 62.496 61.300 0.095 0.000 1.347 160 I CB -0.430 37.699 38.000 0.215 0.000 1.044 160 I HN 0.217 nan 8.210 nan 0.000 0.408 161 A N 0.475 123.375 122.820 0.133 0.000 1.948 161 A HA -0.307 4.013 4.320 0.000 0.000 0.220 161 A C 2.624 180.275 177.584 0.112 0.000 1.177 161 A CA 2.562 54.689 52.037 0.150 0.000 0.636 161 A CB -1.257 17.768 19.000 0.042 0.000 0.815 161 A HN 0.528 nan 8.150 nan 0.000 0.449 162 S N -0.954 114.713 115.700 -0.056 0.000 2.359 162 S HA -0.194 4.276 4.470 0.000 0.000 0.223 162 S C 1.917 176.508 174.600 -0.016 0.000 1.039 162 S CA 1.838 59.973 58.200 -0.109 0.000 1.042 162 S CB -0.705 nan 63.200 nan 0.000 0.915 162 S HN 0.554 nan 8.310 nan 0.000 0.439 163 Y N 0.408 120.745 120.300 0.061 0.000 2.114 163 Y HA -0.022 4.528 4.550 0.000 0.000 0.284 163 Y C 2.211 178.091 175.900 -0.033 0.000 1.143 163 Y CA 0.500 58.588 58.100 -0.020 0.000 1.135 163 Y CB -1.327 37.072 38.460 -0.102 0.000 0.980 163 Y HN 0.329 nan 8.280 nan 0.000 0.499 164 F N 0.721 120.774 119.950 0.171 0.000 2.063 164 F HA -0.278 4.249 4.527 0.000 0.000 0.298 164 F C 2.199 178.043 175.800 0.073 0.000 1.109 164 F CA 1.915 59.975 58.000 0.100 0.000 1.212 164 F CB -0.745 38.293 39.000 0.063 0.000 0.973 164 F HN 0.054 nan 8.300 nan 0.000 0.480 165 D N -0.272 120.277 120.400 0.248 0.000 2.123 165 D HA -0.165 4.475 4.640 0.000 0.000 0.196 165 D C 2.362 178.731 176.300 0.115 0.000 0.992 165 D CA 1.172 55.258 54.000 0.143 0.000 0.833 165 D CB -0.424 40.432 40.800 0.093 0.000 0.954 165 D HN 0.220 nan 8.370 nan 0.000 0.455 166 R N 0.513 121.084 120.500 0.119 0.000 2.083 166 R HA -0.105 4.235 4.340 0.000 0.000 0.237 166 R C 2.323 178.676 176.300 0.087 0.000 1.137 166 R CA 1.520 57.679 56.100 0.099 0.000 0.951 166 R CB -0.299 30.072 30.300 0.120 0.000 0.851 166 R HN 0.131 nan 8.270 nan 0.000 0.434 167 A N 0.723 123.601 122.820 0.097 0.000 1.877 167 A HA -0.218 4.102 4.320 0.000 0.000 0.216 167 A C 2.704 180.347 177.584 0.099 0.000 1.186 167 A CA 1.839 53.926 52.037 0.083 0.000 0.620 167 A CB -1.373 17.675 19.000 0.080 0.000 0.822 167 A HN 0.723 nan 8.150 nan 0.000 0.443 168 C N -0.502 118.868 119.300 0.117 0.000 2.429 168 C HA 0.250 4.710 4.460 0.000 0.000 0.277 168 C C 3.053 178.090 174.990 0.079 0.000 1.262 168 C CA 2.266 61.343 59.018 0.099 0.000 1.733 168 C CB -1.332 26.465 27.740 0.096 0.000 2.010 168 C HN 0.686 nan 8.230 nan 0.000 0.483 169 A N 0.442 123.305 122.820 0.072 0.000 1.940 169 A HA 0.199 4.519 4.320 0.000 0.000 0.219 169 A C 2.573 180.190 177.584 0.056 0.000 1.176 169 A CA 2.506 54.578 52.037 0.057 0.000 0.631 169 A CB -0.969 18.063 19.000 0.052 0.000 0.814 169 A HN 1.386 nan 8.150 nan 0.000 0.446 170 A N -0.513 122.341 122.820 0.058 0.000 2.172 170 A HA 0.161 4.481 4.320 0.000 0.000 0.216 170 A C 1.876 179.497 177.584 0.062 0.000 1.154 170 A CA 1.762 53.826 52.037 0.046 0.000 0.701 170 A CB -0.602 18.416 19.000 0.029 0.000 0.789 170 A HN 1.195 nan 8.150 nan 0.000 0.465 171 V N -4.798 115.172 119.914 0.094 0.000 3.604 171 V HA 0.250 4.370 4.120 0.000 0.000 0.277 171 V C 0.927 177.089 176.094 0.114 0.000 1.399 171 V CA 0.261 62.650 62.300 0.148 0.000 1.034 171 V CB -0.417 31.549 31.823 0.238 0.000 0.824 171 V HN 0.173 nan 8.190 nan 0.000 0.439 172 S N 0.000 115.746 115.700 0.077 0.000 2.498 172 S HA 0.000 4.470 4.470 0.000 0.000 0.327 172 S CA 0.000 58.233 58.200 0.055 0.000 1.107 172 S CB 0.000 63.227 63.200 0.045 0.000 0.593 172 S HN 0.000 nan 8.310 nan 0.000 0.517