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 2oem_1_B DATA FIRST_RESID 2 DATA SEQUENCE SAVMATYLLH DETDIRKKAE GIALGLTIGT WTDLPALEQE QLRKHKGEVV DATA SEQUENCE AIEELGESER VNAYFGKRLK RAIVKIAYPT VNFSADLPAL LVTTFGKLSL DATA SEQUENCE DGEVRLLDLE FPDEWKRQFP GPRFGIDGIR DRVGVHNRPL LMSIFKGMIG DATA SEQUENCE RDLAYLTSEL KKQALGGVDL VXDDEILFDS ELLPFEKRIT EGKAALQEVY DATA SEQUENCE EQTGKRTLYA VNLTGKTFAL KDKAKRAAEL GADVLLFNVF AYGLDVLQAL DATA SEQUENCE REDEEIAVPI MAHPAFSGAV TPSEFYGVAP SLWLGKLLRL AGADFVLFPS DATA SEQUENCE PYGSVALERE QALGIARALT DDQEPFARAF PVPSAGIHPG LVPLIIRDFG DATA SEQUENCE LDTIVNAGGG IHGHPDGAIG GGRAFRAAID AVLAGRPLRA AAAENEALQK DATA SEQUENCE AIDRWGVVEV EA 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 2 S HA 0.000 nan 4.470 nan 0.000 0.327 2 S C 0.000 174.601 174.600 0.001 0.000 1.055 2 S CA 0.000 58.211 58.200 0.018 0.000 1.107 2 S CB 0.000 63.224 63.200 0.041 0.000 0.593 3 A N 3.502 126.328 122.820 0.010 0.000 2.594 3 A HA 0.806 5.123 4.320 -0.006 0.000 0.295 3 A C -1.191 176.409 177.584 0.026 0.000 1.071 3 A CA -0.606 51.443 52.037 0.020 0.000 0.685 3 A CB 1.720 20.731 19.000 0.018 0.000 1.285 3 A HN 0.976 nan 8.150 nan 0.000 0.405 4 V N 2.496 122.455 119.914 0.074 0.000 2.432 4 V HA 0.420 4.537 4.120 -0.006 0.000 0.275 4 V C 0.276 176.413 176.094 0.072 0.000 1.043 4 V CA -0.073 62.254 62.300 0.045 0.000 0.925 4 V CB 1.276 33.129 31.823 0.049 0.000 0.985 4 V HN 0.889 nan 8.190 nan 0.000 0.466 5 M N 5.383 124.956 119.600 -0.045 0.000 2.129 5 M HA 0.687 5.164 4.480 -0.006 0.000 0.348 5 M C -0.136 176.090 176.300 -0.123 0.000 1.116 5 M CA -0.359 54.903 55.300 -0.063 0.000 1.022 5 M CB 0.987 33.527 32.600 -0.099 0.000 1.599 5 M HN 0.719 nan 8.290 nan 0.000 0.449 6 A N 3.772 126.547 122.820 -0.075 0.000 2.305 6 A HA 0.701 5.018 4.320 -0.006 0.000 0.322 6 A C -0.550 176.748 177.584 -0.477 0.000 1.187 6 A CA -0.509 51.345 52.037 -0.305 0.000 0.825 6 A CB 0.871 19.725 19.000 -0.242 0.000 1.164 6 A HN 0.762 nan 8.150 nan 0.000 0.498 7 T N 2.747 116.971 114.554 -0.551 0.000 2.758 7 T HA 0.569 4.916 4.350 -0.006 0.000 0.285 7 T C -1.140 173.261 174.700 -0.497 0.000 0.981 7 T CA 0.282 62.148 62.100 -0.390 0.000 0.965 7 T CB 0.038 68.767 68.868 -0.233 0.000 0.927 7 T HN 0.438 nan 8.240 nan 0.000 0.448 8 Y N 1.652 121.921 120.300 -0.051 0.000 2.562 8 Y HA 0.696 5.242 4.550 -0.006 0.000 0.343 8 Y C -0.293 175.587 175.900 -0.033 0.000 1.025 8 Y CA -1.562 56.512 58.100 -0.044 0.000 1.082 8 Y CB 1.254 39.722 38.460 0.014 0.000 1.264 8 Y HN 0.407 nan 8.280 nan 0.000 0.478 9 L N 3.083 124.402 121.223 0.161 0.000 2.305 9 L HA 0.649 4.986 4.340 -0.006 0.000 0.284 9 L C -1.818 175.126 176.870 0.123 0.000 1.013 9 L CA -0.586 54.306 54.840 0.086 0.000 0.819 9 L CB 0.579 42.681 42.059 0.071 0.000 1.227 9 L HN 0.501 nan 8.230 nan 0.000 0.417 10 L N 5.153 126.394 121.223 0.031 0.000 2.346 10 L HA 0.564 4.900 4.340 -0.006 0.000 0.274 10 L C -0.893 175.915 176.870 -0.104 0.000 1.007 10 L CA -0.345 54.516 54.840 0.034 0.000 0.818 10 L CB 1.835 43.898 42.059 0.007 0.000 1.284 10 L HN 0.570 nan 8.230 nan 0.000 0.424 11 H N 1.474 120.522 119.070 -0.036 0.000 2.609 11 H HA 0.707 5.260 4.556 -0.005 0.000 0.344 11 H C -1.228 174.005 175.328 -0.158 0.000 1.040 11 H CA -0.547 55.442 56.048 -0.098 0.000 1.216 11 H CB 1.682 31.348 29.762 -0.160 0.000 1.529 11 H HN 0.456 nan 8.280 nan 0.000 0.519 12 D N 1.303 121.668 120.400 -0.059 0.000 2.706 12 D HA 0.004 4.640 4.640 -0.006 0.000 0.227 12 D C 0.092 176.344 176.300 -0.079 0.000 1.233 12 D CA -0.341 53.608 54.000 -0.085 0.000 0.768 12 D CB 1.756 42.521 40.800 -0.058 0.000 1.490 12 D HN 0.831 nan 8.370 nan 0.000 0.458 13 E N -0.094 120.057 120.200 -0.082 0.000 2.474 13 E HA 0.055 4.401 4.350 -0.006 0.000 0.194 13 E C 0.600 177.175 176.600 -0.043 0.000 1.041 13 E CA 0.064 56.428 56.400 -0.060 0.000 0.874 13 E CB 0.295 29.959 29.700 -0.061 0.000 0.914 13 E HN 0.350 nan 8.360 nan 0.000 0.498 14 T N -1.218 113.310 114.554 -0.043 0.000 2.948 14 T HA 0.213 4.560 4.350 -0.006 0.000 0.285 14 T C -0.265 174.416 174.700 -0.031 0.000 1.019 14 T CA -0.861 61.219 62.100 -0.033 0.000 1.013 14 T CB 1.582 70.432 68.868 -0.030 0.000 1.117 14 T HN -0.055 nan 8.240 nan 0.000 0.533 15 D N 0.689 121.074 120.400 -0.025 0.000 2.502 15 D HA -0.001 4.636 4.640 -0.006 0.000 0.249 15 D C 1.258 177.542 176.300 -0.027 0.000 1.188 15 D CA -0.197 53.789 54.000 -0.024 0.000 0.890 15 D CB 0.130 40.919 40.800 -0.019 0.000 1.140 15 D HN 0.403 nan 8.370 nan 0.000 0.505 16 I N 3.987 124.539 120.570 -0.030 0.000 2.252 16 I HA -0.179 3.987 4.170 -0.006 0.000 0.245 16 I C 2.313 178.413 176.117 -0.027 0.000 1.102 16 I CA 1.109 62.390 61.300 -0.031 0.000 1.385 16 I CB -0.916 37.062 38.000 -0.036 0.000 1.064 16 I HN 0.629 nan 8.210 nan 0.000 0.414 17 R N 1.172 121.658 120.500 -0.025 0.000 2.096 17 R HA -0.194 4.142 4.340 -0.006 0.000 0.235 17 R C 2.404 178.691 176.300 -0.022 0.000 1.127 17 R CA 1.335 57.421 56.100 -0.023 0.000 0.968 17 R CB -0.099 30.188 30.300 -0.021 0.000 0.861 17 R HN 0.078 nan 8.270 nan 0.000 0.440 18 K N 1.429 121.817 120.400 -0.020 0.000 2.026 18 K HA -0.201 4.116 4.320 -0.006 0.000 0.208 18 K C 1.886 178.474 176.600 -0.019 0.000 1.048 18 K CA 1.873 58.150 56.287 -0.017 0.000 0.929 18 K CB -0.198 32.294 32.500 -0.014 0.000 0.713 18 K HN 0.170 nan 8.250 nan 0.000 0.439 19 K N -0.004 120.382 120.400 -0.024 0.000 2.057 19 K HA -0.095 4.222 4.320 -0.006 0.000 0.207 19 K C 1.996 178.576 176.600 -0.034 0.000 1.049 19 K CA 1.261 57.531 56.287 -0.028 0.000 0.931 19 K CB -0.171 32.310 32.500 -0.033 0.000 0.714 19 K HN 0.151 nan 8.250 nan 0.000 0.440 20 A N 1.585 124.385 122.820 -0.034 0.000 1.883 20 A HA -0.186 4.131 4.320 -0.006 0.000 0.217 20 A C 1.935 179.495 177.584 -0.040 0.000 1.186 20 A CA 1.708 53.723 52.037 -0.037 0.000 0.624 20 A CB -0.526 18.458 19.000 -0.027 0.000 0.822 20 A HN 0.363 nan 8.150 nan 0.000 0.444 21 E N -0.449 119.730 120.200 -0.035 0.000 2.110 21 E HA -0.145 4.202 4.350 -0.006 0.000 0.193 21 E C 2.173 178.757 176.600 -0.026 0.000 0.988 21 E CA 1.173 57.550 56.400 -0.037 0.000 0.804 21 E CB -0.782 28.901 29.700 -0.028 0.000 0.745 21 E HN 0.596 nan 8.360 nan 0.000 0.458 22 G N 1.246 110.036 108.800 -0.016 0.000 2.422 22 G HA2 -0.214 3.743 3.960 -0.006 0.000 0.218 22 G HA3 -0.214 3.743 3.960 -0.006 0.000 0.218 22 G C 1.752 176.653 174.900 0.002 0.000 1.146 22 G CA 0.577 45.674 45.100 -0.004 0.000 0.769 22 G HN 0.190 nan 8.290 nan 0.000 0.547 23 I N 1.188 121.752 120.570 -0.010 0.000 2.233 23 I HA -0.106 4.061 4.170 -0.006 0.000 0.243 23 I C 3.294 179.432 176.117 0.035 0.000 1.093 23 I CA 0.877 62.183 61.300 0.011 0.000 1.380 23 I CB -0.250 37.734 38.000 -0.026 0.000 1.067 23 I HN 0.231 nan 8.210 nan 0.000 0.413 24 A N 0.670 123.472 122.820 -0.030 0.000 1.908 24 A HA -0.225 4.091 4.320 -0.006 0.000 0.218 24 A C 2.232 179.801 177.584 -0.025 0.000 1.181 24 A CA 1.808 53.793 52.037 -0.086 0.000 0.627 24 A CB -0.680 18.241 19.000 -0.132 0.000 0.818 24 A HN 0.402 nan 8.150 nan 0.000 0.445 25 L N -0.702 120.517 121.223 -0.006 0.000 2.084 25 L HA 0.223 4.560 4.340 -0.006 0.000 0.202 25 L C 2.443 179.350 176.870 0.062 0.000 1.074 25 L CA 2.147 57.000 54.840 0.022 0.000 0.757 25 L CB -1.137 40.935 42.059 0.023 0.000 0.918 25 L HN 0.260 nan 8.230 nan 0.000 0.444 26 G N -0.029 108.804 108.800 0.056 0.000 2.442 26 G HA2 -0.231 3.725 3.960 -0.006 0.000 0.219 26 G HA3 -0.231 3.725 3.960 -0.006 0.000 0.219 26 G C 1.444 176.394 174.900 0.083 0.000 1.141 26 G CA 1.153 46.290 45.100 0.061 0.000 0.763 26 G HN 0.402 nan 8.290 nan 0.000 0.554 27 L N 1.227 122.520 121.223 0.117 0.000 2.612 27 L HA 0.186 4.522 4.340 -0.006 0.000 0.230 27 L C 2.144 179.136 176.870 0.203 0.000 1.140 27 L CA 0.661 55.597 54.840 0.161 0.000 0.896 27 L CB -0.096 42.101 42.059 0.230 0.000 1.065 27 L HN 0.455 nan 8.230 nan 0.000 0.447 28 T N -3.232 111.424 114.554 0.170 0.000 2.614 28 T HA 0.152 4.499 4.350 -0.006 0.000 0.163 28 T C 1.371 176.153 174.700 0.137 0.000 0.806 28 T CA 0.070 62.279 62.100 0.182 0.000 1.020 28 T CB -0.345 68.629 68.868 0.177 0.000 2.539 28 T HN 0.091 nan 8.240 nan 0.000 0.380 29 I N -0.658 119.993 120.570 0.134 0.000 3.251 29 I HA 0.517 4.684 4.170 -0.006 0.000 0.277 29 I C 2.016 178.206 176.117 0.121 0.000 1.268 29 I CA 0.592 61.973 61.300 0.135 0.000 1.449 29 I CB -0.802 37.317 38.000 0.198 0.000 1.083 29 I HN 0.827 nan 8.210 nan 0.000 0.464 30 G N 1.972 110.837 108.800 0.109 0.000 2.990 30 G HA2 -0.343 3.614 3.960 -0.006 0.000 0.225 30 G HA3 -0.343 3.614 3.960 -0.006 0.000 0.225 30 G C 0.531 175.495 174.900 0.106 0.000 1.304 30 G CA 0.727 45.882 45.100 0.093 0.000 0.816 30 G HN 0.821 nan 8.290 nan 0.000 0.528 31 T N -4.376 110.261 114.554 0.139 0.000 2.896 31 T HA 0.649 4.996 4.350 -0.006 0.000 0.297 31 T C 0.001 174.865 174.700 0.274 0.000 1.108 31 T CA 0.283 62.478 62.100 0.158 0.000 1.004 31 T CB 2.610 71.535 68.868 0.095 0.000 1.159 31 T HN 1.060 nan 8.240 nan 0.000 0.499 32 W N 0.944 122.257 121.300 0.021 0.000 5.194 32 W HA -0.046 4.611 4.660 -0.004 0.000 0.169 32 W C 1.796 178.325 176.519 0.017 0.000 1.110 32 W CA 0.660 58.018 57.345 0.022 0.000 1.861 32 W CB -0.387 29.087 29.460 0.023 0.000 0.573 32 W HN 0.859 nan 8.180 nan 0.000 1.069 33 T N -0.658 113.946 114.554 0.082 0.000 2.759 33 T HA -0.192 4.155 4.350 -0.006 0.000 0.269 33 T C 0.934 175.568 174.700 -0.110 0.000 1.042 33 T CA 1.930 64.007 62.100 -0.038 0.000 1.140 33 T CB -0.684 68.226 68.868 0.070 0.000 0.864 33 T HN -0.027 nan 8.240 nan 0.000 0.455 34 D N 1.132 121.491 120.400 -0.068 0.000 2.349 34 D HA 0.201 4.837 4.640 -0.006 0.000 0.224 34 D C 0.383 176.619 176.300 -0.107 0.000 1.029 34 D CA 0.118 54.078 54.000 -0.067 0.000 0.879 34 D CB -0.034 40.751 40.800 -0.025 0.000 0.906 34 D HN 0.466 nan 8.370 nan 0.000 0.528 35 L N 2.905 124.015 121.223 -0.188 0.000 2.305 35 L HA 0.268 4.605 4.340 -0.006 0.000 0.281 35 L C -1.974 174.753 176.870 -0.238 0.000 1.085 35 L CA -1.771 52.943 54.840 -0.210 0.000 0.813 35 L CB 0.759 42.651 42.059 -0.278 0.000 1.157 35 L HN -0.253 nan 8.230 nan 0.000 0.436 36 P HA 0.043 nan 4.420 nan 0.000 0.271 36 P C 0.406 177.612 177.300 -0.156 0.000 1.218 36 P CA -0.254 62.766 63.100 -0.133 0.000 0.780 36 P CB 1.279 32.929 31.700 -0.082 0.000 0.901 37 A N 4.180 126.919 122.820 -0.135 0.000 1.944 37 A HA -0.269 4.048 4.320 -0.006 0.000 0.222 37 A C 2.157 179.687 177.584 -0.089 0.000 1.237 37 A CA 2.790 54.757 52.037 -0.117 0.000 0.668 37 A CB -1.818 17.142 19.000 -0.068 0.000 0.830 37 A HN 0.727 nan 8.150 nan 0.000 0.471 38 L N -2.967 118.218 121.223 -0.063 0.000 2.046 38 L HA -0.138 4.198 4.340 -0.006 0.000 0.208 38 L C 2.190 179.041 176.870 -0.032 0.000 1.077 38 L CA 2.214 57.033 54.840 -0.035 0.000 0.747 38 L CB -0.928 41.117 42.059 -0.024 0.000 0.896 38 L HN 0.375 nan 8.230 nan 0.000 0.432 39 E N 0.135 120.300 120.200 -0.060 0.000 2.107 39 E HA -0.175 4.172 4.350 -0.006 0.000 0.191 39 E C 2.352 178.919 176.600 -0.055 0.000 0.982 39 E CA 1.045 57.419 56.400 -0.043 0.000 0.809 39 E CB -0.063 29.602 29.700 -0.059 0.000 0.756 39 E HN 0.627 nan 8.360 nan 0.000 0.459 40 Q N 0.520 120.202 119.800 -0.197 0.000 2.050 40 Q HA -0.219 4.117 4.340 -0.006 0.000 0.202 40 Q C 2.117 178.169 176.000 0.087 0.000 0.980 40 Q CA 1.315 56.915 55.803 -0.339 0.000 0.840 40 Q CB -0.099 28.187 28.738 -0.753 0.000 0.898 40 Q HN 0.062 nan 8.270 nan 0.000 0.424 41 E N 1.101 121.335 120.200 0.055 0.000 2.204 41 E HA -0.213 4.133 4.350 -0.006 0.000 0.195 41 E C 1.768 178.438 176.600 0.117 0.000 0.990 41 E CA 1.311 57.777 56.400 0.111 0.000 0.821 41 E CB -0.003 29.732 29.700 0.059 0.000 0.750 41 E HN 0.331 nan 8.360 nan 0.000 0.477 42 Q N -0.952 118.910 119.800 0.104 0.000 2.212 42 Q HA 0.000 4.337 4.340 -0.006 0.000 0.199 42 Q C 1.145 177.258 176.000 0.188 0.000 0.950 42 Q CA 0.670 56.542 55.803 0.115 0.000 0.863 42 Q CB 0.188 28.978 28.738 0.088 0.000 0.944 42 Q HN 0.271 nan 8.270 nan 0.000 0.465 43 L N 0.404 121.776 121.223 0.248 0.000 2.607 43 L HA 0.142 4.478 4.340 -0.006 0.000 0.228 43 L C 2.028 179.126 176.870 0.380 0.000 1.123 43 L CA 0.516 55.576 54.840 0.365 0.000 0.890 43 L CB -0.621 41.637 42.059 0.332 0.000 1.103 43 L HN 0.287 nan 8.230 nan 0.000 0.468 44 R N 1.857 122.568 120.500 0.352 0.000 2.091 44 R HA -0.205 4.132 4.340 -0.006 0.000 0.238 44 R C 2.165 178.487 176.300 0.035 0.000 1.136 44 R CA 1.912 58.149 56.100 0.227 0.000 0.959 44 R CB 0.085 30.528 30.300 0.237 0.000 0.856 44 R HN 0.435 nan 8.270 nan 0.000 0.437 45 K N -1.185 119.203 120.400 -0.020 0.000 2.360 45 K HA -0.149 4.168 4.320 -0.006 0.000 0.201 45 K C 0.980 177.451 176.600 -0.214 0.000 1.046 45 K CA 1.440 57.634 56.287 -0.155 0.000 0.945 45 K CB -0.148 32.205 32.500 -0.245 0.000 0.750 45 K HN 0.416 nan 8.250 nan 0.000 0.464 46 H N 0.723 119.825 119.070 0.054 0.000 2.575 46 H HA 0.156 4.709 4.556 -0.006 0.000 0.267 46 H C -0.033 175.322 175.328 0.045 0.000 0.966 46 H CA 0.009 56.096 56.048 0.064 0.000 1.165 46 H CB 0.370 30.188 29.762 0.092 0.000 1.433 46 H HN 0.155 nan 8.280 nan 0.000 0.544 47 K N 1.724 122.164 120.400 0.068 0.000 2.383 47 K HA 0.186 4.503 4.320 -0.006 0.000 0.286 47 K C 0.493 177.044 176.600 -0.082 0.000 1.051 47 K CA -0.249 56.004 56.287 -0.057 0.000 0.974 47 K CB 0.624 32.935 32.500 -0.316 0.000 0.968 47 K HN 0.149 nan 8.250 nan 0.000 0.475 48 G N 3.251 112.018 108.800 -0.056 0.000 2.539 48 G HA2 0.198 4.155 3.960 -0.006 0.000 0.258 48 G HA3 0.198 4.155 3.960 -0.006 0.000 0.258 48 G C -0.783 174.011 174.900 -0.176 0.000 1.202 48 G CA -0.366 44.665 45.100 -0.114 0.000 0.851 48 G HN 0.628 nan 8.290 nan 0.000 0.556 49 E N -0.445 119.632 120.200 -0.205 0.000 2.366 49 E HA 0.260 4.607 4.350 -0.006 0.000 0.278 49 E C -1.016 175.484 176.600 -0.167 0.000 0.923 49 E CA -0.713 55.581 56.400 -0.177 0.000 0.761 49 E CB 2.345 31.951 29.700 -0.157 0.000 1.231 49 E HN 0.211 nan 8.360 nan 0.000 0.443 50 V N 2.627 122.465 119.914 -0.127 0.000 2.455 50 V HA 0.039 4.155 4.120 -0.006 0.000 0.273 50 V C 1.287 177.331 176.094 -0.083 0.000 1.045 50 V CA 0.035 62.277 62.300 -0.096 0.000 0.976 50 V CB 1.047 32.829 31.823 -0.069 0.000 0.993 50 V HN 0.571 nan 8.190 nan 0.000 0.475 51 V N 4.036 123.904 119.914 -0.077 0.000 2.500 51 V HA 0.347 4.464 4.120 -0.006 0.000 0.243 51 V C 0.833 176.897 176.094 -0.051 0.000 1.039 51 V CA 1.552 63.812 62.300 -0.066 0.000 1.053 51 V CB 0.046 31.827 31.823 -0.069 0.000 0.695 51 V HN 0.976 nan 8.190 nan 0.000 0.463 52 A N -0.778 122.016 122.820 -0.042 0.000 2.608 52 A HA 0.762 5.079 4.320 -0.006 0.000 0.292 52 A C -1.558 176.011 177.584 -0.026 0.000 1.066 52 A CA -0.396 51.620 52.037 -0.035 0.000 0.676 52 A CB 1.341 20.319 19.000 -0.037 0.000 1.277 52 A HN 0.107 nan 8.150 nan 0.000 0.413 53 I N 1.219 121.774 120.570 -0.025 0.000 2.497 53 I HA 0.315 4.482 4.170 -0.006 0.000 0.284 53 I C -0.386 175.716 176.117 -0.025 0.000 1.060 53 I CA -0.080 61.208 61.300 -0.021 0.000 1.071 53 I CB 1.959 39.946 38.000 -0.021 0.000 1.216 53 I HN 0.796 nan 8.210 nan 0.000 0.442 54 E N 7.102 127.286 120.200 -0.027 0.000 2.081 54 E HA 0.258 4.605 4.350 -0.006 0.000 0.276 54 E C -0.664 175.915 176.600 -0.034 0.000 0.950 54 E CA -0.499 55.883 56.400 -0.030 0.000 0.776 54 E CB 0.985 30.666 29.700 -0.032 0.000 1.094 54 E HN 0.508 nan 8.360 nan 0.000 0.402 55 E N 3.985 124.165 120.200 -0.032 0.000 2.316 55 E HA 0.142 4.489 4.350 -0.006 0.000 0.275 55 E C -0.213 176.365 176.600 -0.037 0.000 1.029 55 E CA -0.373 56.005 56.400 -0.037 0.000 0.871 55 E CB 1.016 30.698 29.700 -0.030 0.000 1.022 55 E HN 0.333 nan 8.360 nan 0.000 0.418 56 L N 1.340 122.534 121.223 -0.048 0.000 2.331 56 L HA 0.431 4.767 4.340 -0.006 0.000 0.268 56 L C 0.933 177.784 176.870 -0.032 0.000 1.015 56 L CA -0.450 54.365 54.840 -0.042 0.000 0.807 56 L CB 1.007 43.032 42.059 -0.057 0.000 1.293 56 L HN 0.619 nan 8.230 nan 0.000 0.451 57 G N -0.095 108.694 108.800 -0.019 0.000 2.483 57 G HA2 0.162 4.119 3.960 -0.006 0.000 0.248 57 G HA3 0.162 4.119 3.960 -0.006 0.000 0.248 57 G C -0.064 174.836 174.900 0.001 0.000 1.248 57 G CA -0.301 44.795 45.100 -0.007 0.000 0.838 57 G HN 0.675 nan 8.290 nan 0.000 0.566 58 E N 0.425 120.630 120.200 0.007 0.000 2.384 58 E HA 0.235 4.581 4.350 -0.006 0.000 0.266 58 E C -0.015 176.613 176.600 0.047 0.000 1.012 58 E CA -0.124 56.290 56.400 0.023 0.000 0.901 58 E CB 0.526 30.238 29.700 0.020 0.000 0.967 58 E HN 0.296 nan 8.360 nan 0.000 0.435 59 S N 3.155 118.904 115.700 0.083 0.000 2.438 59 S HA 0.068 4.535 4.470 -0.006 0.000 0.293 59 S C 0.702 175.368 174.600 0.109 0.000 1.141 59 S CA -0.630 57.631 58.200 0.102 0.000 1.080 59 S CB 1.402 64.691 63.200 0.148 0.000 0.978 59 S HN 0.680 nan 8.310 nan 0.000 0.479 60 E N 4.321 124.571 120.200 0.083 0.000 2.077 60 E HA -0.138 4.209 4.350 -0.006 0.000 0.193 60 E C 2.045 178.706 176.600 0.101 0.000 0.989 60 E CA 1.555 58.002 56.400 0.078 0.000 0.800 60 E CB -0.083 29.651 29.700 0.056 0.000 0.746 60 E HN 0.760 nan 8.360 nan 0.000 0.452 61 R N -0.384 120.179 120.500 0.105 0.000 2.073 61 R HA -0.116 4.221 4.340 -0.006 0.000 0.234 61 R C 2.135 178.546 176.300 0.185 0.000 1.134 61 R CA 1.687 57.857 56.100 0.117 0.000 0.952 61 R CB -0.345 30.008 30.300 0.089 0.000 0.850 61 R HN 0.154 nan 8.270 nan 0.000 0.433 62 V N 1.912 121.968 119.914 0.237 0.000 2.343 62 V HA -0.243 3.874 4.120 -0.006 0.000 0.247 62 V C 1.869 178.177 176.094 0.356 0.000 1.051 62 V CA 1.971 64.491 62.300 0.367 0.000 1.036 62 V CB -0.681 31.407 31.823 0.442 0.000 0.654 62 V HN 0.424 nan 8.190 nan 0.000 0.451 63 N N 0.776 119.618 118.700 0.236 0.000 2.104 63 N HA -0.142 4.595 4.740 -0.006 0.000 0.190 63 N C 1.878 177.482 175.510 0.156 0.000 1.024 63 N CA 1.776 54.933 53.050 0.179 0.000 0.853 63 N CB -0.648 37.905 38.487 0.111 0.000 1.008 63 N HN 0.490 nan 8.380 nan 0.000 0.424 64 A N 0.080 122.983 122.820 0.138 0.000 1.902 64 A HA -0.186 4.130 4.320 -0.006 0.000 0.217 64 A C 2.181 179.823 177.584 0.096 0.000 1.181 64 A CA 1.192 53.289 52.037 0.101 0.000 0.623 64 A CB -0.978 18.078 19.000 0.093 0.000 0.818 64 A HN 0.416 nan 8.150 nan 0.000 0.443 65 Y N -0.670 119.628 120.300 -0.003 0.000 2.114 65 Y HA -0.187 4.360 4.550 -0.006 0.000 0.284 65 Y C 1.781 177.552 175.900 -0.215 0.000 1.143 65 Y CA 1.837 59.863 58.100 -0.124 0.000 1.135 65 Y CB -0.534 37.821 38.460 -0.176 0.000 0.980 65 Y HN 0.257 nan 8.280 nan 0.000 0.499 66 F N 0.158 119.986 119.950 -0.203 0.000 2.661 66 F HA 0.189 4.712 4.527 -0.007 0.000 0.298 66 F C 2.071 177.759 175.800 -0.186 0.000 1.137 66 F CA 1.088 58.910 58.000 -0.297 0.000 1.454 66 F CB -0.458 38.419 39.000 -0.206 0.000 1.103 66 F HN 0.220 nan 8.300 nan 0.000 0.577 67 G N 1.024 109.845 108.800 0.035 0.000 2.179 67 G HA2 -0.306 3.651 3.960 -0.006 0.000 0.257 67 G HA3 -0.306 3.651 3.960 -0.006 0.000 0.257 67 G C 0.178 175.100 174.900 0.037 0.000 1.010 67 G CA 0.404 45.514 45.100 0.016 0.000 0.736 67 G HN 0.404 nan 8.290 nan 0.000 0.513 68 K N -1.454 118.987 120.400 0.067 0.000 2.548 68 K HA 0.518 4.834 4.320 -0.006 0.000 0.282 68 K C -0.266 176.355 176.600 0.035 0.000 1.006 68 K CA -1.176 55.131 56.287 0.034 0.000 0.892 68 K CB 1.557 34.060 32.500 0.006 0.000 1.499 68 K HN 0.106 nan 8.250 nan 0.000 0.433 69 R N 1.405 121.912 120.500 0.012 0.000 2.210 69 R HA 0.296 4.632 4.340 -0.006 0.000 0.338 69 R C -0.975 175.319 176.300 -0.011 0.000 1.062 69 R CA -0.604 55.504 56.100 0.012 0.000 0.902 69 R CB 0.122 30.426 30.300 0.007 0.000 1.050 69 R HN 0.147 nan 8.270 nan 0.000 0.461 70 L N 3.782 125.004 121.223 -0.002 0.000 2.305 70 L HA 0.345 4.681 4.340 -0.006 0.000 0.284 70 L C 0.134 176.996 176.870 -0.013 0.000 1.013 70 L CA -0.310 54.510 54.840 -0.033 0.000 0.819 70 L CB 1.426 43.443 42.059 -0.070 0.000 1.227 70 L HN 0.339 nan 8.230 nan 0.000 0.417 71 K N 3.450 123.827 120.400 -0.038 0.000 2.237 71 K HA 0.522 4.839 4.320 -0.006 0.000 0.270 71 K C -0.366 176.177 176.600 -0.094 0.000 1.015 71 K CA -0.450 55.808 56.287 -0.048 0.000 0.949 71 K CB 0.910 33.383 32.500 -0.046 0.000 0.976 71 K HN 0.476 nan 8.250 nan 0.000 0.472 72 R N 0.521 120.949 120.500 -0.120 0.000 2.686 72 R HA 0.720 5.057 4.340 -0.006 0.000 0.286 72 R C -1.233 174.975 176.300 -0.153 0.000 0.969 72 R CA -0.886 55.076 56.100 -0.231 0.000 0.898 72 R CB 2.151 32.284 30.300 -0.280 0.000 1.183 72 R HN 0.694 nan 8.270 nan 0.000 0.456 73 A N 2.434 125.161 122.820 -0.156 0.000 2.608 73 A HA 0.503 4.820 4.320 -0.006 0.000 0.292 73 A C -1.359 176.190 177.584 -0.059 0.000 1.066 73 A CA -0.721 51.265 52.037 -0.086 0.000 0.676 73 A CB 1.240 20.205 19.000 -0.058 0.000 1.277 73 A HN 0.627 nan 8.150 nan 0.000 0.413 74 I N 1.643 122.191 120.570 -0.036 0.000 2.321 74 I HA 0.442 4.608 4.170 -0.006 0.000 0.291 74 I C -0.716 175.406 176.117 0.008 0.000 0.998 74 I CA -0.756 60.536 61.300 -0.013 0.000 1.227 74 I CB 1.551 39.533 38.000 -0.030 0.000 1.368 74 I HN 0.329 nan 8.210 nan 0.000 0.466 75 V N 7.074 127.024 119.914 0.060 0.000 2.459 75 V HA 0.379 4.495 4.120 -0.006 0.000 0.295 75 V C -0.124 176.037 176.094 0.112 0.000 1.029 75 V CA -0.837 61.512 62.300 0.082 0.000 0.874 75 V CB 1.850 33.737 31.823 0.107 0.000 0.985 75 V HN 0.623 nan 8.190 nan 0.000 0.438 76 K N 5.589 126.013 120.400 0.040 0.000 2.307 76 K HA 0.714 5.031 4.320 -0.006 0.000 0.263 76 K C -1.236 175.360 176.600 -0.006 0.000 0.973 76 K CA -0.424 55.861 56.287 -0.003 0.000 0.846 76 K CB 2.178 34.647 32.500 -0.051 0.000 1.100 76 K HN 0.512 nan 8.250 nan 0.000 0.438 77 I N 1.880 122.450 120.570 -0.000 0.000 2.509 77 I HA 0.384 4.550 4.170 -0.006 0.000 0.293 77 I C -0.459 175.499 176.117 -0.266 0.000 1.020 77 I CA -1.021 60.195 61.300 -0.141 0.000 1.088 77 I CB 2.097 40.007 38.000 -0.151 0.000 1.267 77 I HN 0.609 nan 8.210 nan 0.000 0.430 78 A N 5.984 128.619 122.820 -0.309 0.000 2.276 78 A HA 0.677 4.993 4.320 -0.006 0.000 0.316 78 A C -1.472 175.936 177.584 -0.294 0.000 1.229 78 A CA -0.197 51.713 52.037 -0.213 0.000 0.851 78 A CB 0.161 19.088 19.000 -0.121 0.000 1.165 78 A HN 0.579 nan 8.150 nan 0.000 0.513 79 Y N 2.905 123.245 120.300 0.067 0.000 2.356 79 Y HA 0.376 4.923 4.550 -0.006 0.000 0.334 79 Y C -2.317 173.675 175.900 0.152 0.000 0.958 79 Y CA -2.511 55.675 58.100 0.142 0.000 1.196 79 Y CB 1.379 39.963 38.460 0.207 0.000 1.137 79 Y HN 0.515 nan 8.280 nan 0.000 0.485 80 P HA -0.053 nan 4.420 nan 0.000 0.262 80 P C 0.938 178.222 177.300 -0.027 0.000 1.182 80 P CA 0.468 63.612 63.100 0.074 0.000 0.761 80 P CB 0.726 32.452 31.700 0.043 0.000 0.795 81 T N -1.019 113.421 114.554 -0.190 0.000 3.007 81 T HA -0.113 4.233 4.350 -0.006 0.000 0.270 81 T C 1.340 175.741 174.700 -0.497 0.000 1.107 81 T CA 1.198 62.952 62.100 -0.577 0.000 1.118 81 T CB -1.000 67.712 68.868 -0.261 0.000 0.889 81 T HN 0.268 nan 8.240 nan 0.000 0.506 82 V N -0.663 119.134 119.914 -0.195 0.000 3.444 82 V HA 0.131 4.248 4.120 -0.006 0.000 0.271 82 V C 1.663 177.799 176.094 0.071 0.000 1.188 82 V CA 0.888 63.151 62.300 -0.063 0.000 1.168 82 V CB -1.045 30.736 31.823 -0.070 0.000 0.810 82 V HN 0.246 nan 8.190 nan 0.000 0.500 83 N N 0.911 119.632 118.700 0.035 0.000 2.424 83 N HA 0.235 4.972 4.740 -0.006 0.000 0.178 83 N C 0.017 175.688 175.510 0.269 0.000 1.060 83 N CA 0.704 53.894 53.050 0.235 0.000 0.901 83 N CB 0.139 38.846 38.487 0.367 0.000 0.979 83 N HN 0.853 nan 8.380 nan 0.000 0.451 84 F N -2.059 118.000 119.950 0.182 0.000 2.662 84 F HA 0.625 5.149 4.527 -0.006 0.000 0.312 84 F C 0.011 175.945 175.800 0.224 0.000 1.113 84 F CA -1.810 56.296 58.000 0.177 0.000 0.951 84 F CB 0.486 39.581 39.000 0.160 0.000 1.344 84 F HN -0.241 nan 8.300 nan 0.000 0.462 85 S N 0.444 116.391 115.700 0.412 0.000 2.593 85 S HA 0.580 5.047 4.470 -0.006 0.000 0.269 85 S C 0.239 175.117 174.600 0.464 0.000 1.334 85 S CA -0.306 58.078 58.200 0.307 0.000 1.015 85 S CB 1.186 64.514 63.200 0.214 0.000 0.912 85 S HN 1.283 nan 8.310 nan 0.000 0.541 86 A N 1.910 124.895 122.820 0.274 0.000 3.026 86 A HA 0.450 4.766 4.320 -0.006 0.000 0.272 86 A C -0.052 177.603 177.584 0.118 0.000 1.782 86 A CA -0.483 51.672 52.037 0.197 0.000 1.451 86 A CB -1.636 17.235 19.000 -0.214 0.000 1.081 86 A HN 0.913 nan 8.150 nan 0.000 0.611 87 D N -1.231 119.432 120.400 0.439 0.000 2.602 87 D HA 0.373 5.009 4.640 -0.006 0.000 0.236 87 D C 0.507 177.081 176.300 0.455 0.000 1.209 87 D CA -0.836 53.390 54.000 0.378 0.000 0.831 87 D CB 0.592 41.510 40.800 0.197 0.000 1.478 87 D HN -0.020 nan 8.370 nan 0.000 0.438 88 L N -0.047 121.391 121.223 0.359 0.000 2.083 88 L HA 0.028 4.365 4.340 -0.006 0.000 0.209 88 L C -0.789 176.199 176.870 0.197 0.000 1.083 88 L CA 1.138 56.114 54.840 0.227 0.000 0.752 88 L CB -1.298 40.840 42.059 0.132 0.000 0.899 88 L HN 0.383 nan 8.230 nan 0.000 0.433 89 P HA -0.146 nan 4.420 nan 0.000 0.216 89 P C 1.527 178.905 177.300 0.131 0.000 1.153 89 P CA 1.664 64.857 63.100 0.155 0.000 0.848 89 P CB 0.040 31.825 31.700 0.141 0.000 0.787 90 A N -0.623 122.294 122.820 0.161 0.000 1.930 90 A HA -0.168 4.148 4.320 -0.006 0.000 0.217 90 A C 2.117 179.652 177.584 -0.081 0.000 1.175 90 A CA 1.373 53.484 52.037 0.124 0.000 0.627 90 A CB -1.655 17.520 19.000 0.292 0.000 0.815 90 A HN 0.159 nan 8.150 nan 0.000 0.443 91 L N -0.115 121.090 121.223 -0.029 0.000 2.017 91 L HA -0.129 4.208 4.340 -0.006 0.000 0.208 91 L C 2.266 179.037 176.870 -0.165 0.000 1.073 91 L CA 1.801 56.502 54.840 -0.232 0.000 0.745 91 L CB -0.474 41.636 42.059 0.085 0.000 0.894 91 L HN 0.399 nan 8.230 nan 0.000 0.432 92 L N -1.637 119.599 121.223 0.020 0.000 2.056 92 L HA -0.181 4.155 4.340 -0.006 0.000 0.207 92 L C 2.447 179.343 176.870 0.044 0.000 1.078 92 L CA 1.057 55.952 54.840 0.092 0.000 0.749 92 L CB -0.676 41.501 42.059 0.198 0.000 0.901 92 L HN 0.133 nan 8.230 nan 0.000 0.433 93 V N -0.564 119.355 119.914 0.008 0.000 2.427 93 V HA -0.253 3.864 4.120 -0.006 0.000 0.248 93 V C 2.533 178.579 176.094 -0.081 0.000 1.051 93 V CA 2.234 64.528 62.300 -0.010 0.000 1.048 93 V CB -0.633 31.199 31.823 0.015 0.000 0.666 93 V HN 0.477 nan 8.190 nan 0.000 0.456 94 T N 0.056 114.489 114.554 -0.202 0.000 2.770 94 T HA -0.146 4.201 4.350 -0.006 0.000 0.263 94 T C 1.927 176.337 174.700 -0.484 0.000 1.039 94 T CA 2.056 63.950 62.100 -0.343 0.000 1.142 94 T CB -0.332 68.168 68.868 -0.613 0.000 0.868 94 T HN 0.743 nan 8.240 nan 0.000 0.435 95 T N -1.723 112.578 114.554 -0.423 0.000 3.057 95 T HA 0.195 4.541 4.350 -0.006 0.000 0.254 95 T C 0.446 175.287 174.700 0.234 0.000 1.094 95 T CA 0.113 62.040 62.100 -0.288 0.000 1.088 95 T CB -0.080 68.662 68.868 -0.210 0.000 0.934 95 T HN 0.214 nan 8.240 nan 0.000 0.497 96 F N 0.831 120.757 119.950 -0.041 0.000 2.453 96 F HA 0.574 5.098 4.527 -0.005 0.000 0.382 96 F C 0.891 176.689 175.800 -0.004 0.000 1.495 96 F CA -1.422 56.596 58.000 0.031 0.000 1.071 96 F CB 0.291 39.330 39.000 0.065 0.000 1.577 96 F HN 0.118 nan 8.300 nan 0.000 0.508 97 G N 0.651 109.425 108.800 -0.045 0.000 2.549 97 G HA2 -0.012 3.945 3.960 -0.006 0.000 0.219 97 G HA3 -0.012 3.945 3.960 -0.006 0.000 0.219 97 G C 1.322 176.131 174.900 -0.153 0.000 1.677 97 G CA 0.351 45.400 45.100 -0.085 0.000 0.929 97 G HN 0.210 nan 8.290 nan 0.000 0.549 98 K N -0.317 120.024 120.400 -0.097 0.000 2.147 98 K HA -0.017 4.300 4.320 -0.006 0.000 0.205 98 K C 2.426 178.941 176.600 -0.142 0.000 1.049 98 K CA 0.980 57.209 56.287 -0.097 0.000 0.936 98 K CB -0.219 32.252 32.500 -0.048 0.000 0.722 98 K HN 0.199 nan 8.250 nan 0.000 0.446 99 L N 1.377 122.510 121.223 -0.150 0.000 2.131 99 L HA -0.135 4.202 4.340 -0.006 0.000 0.210 99 L C 2.042 178.702 176.870 -0.351 0.000 1.092 99 L CA 2.115 56.855 54.840 -0.166 0.000 0.759 99 L CB -0.640 41.382 42.059 -0.061 0.000 0.903 99 L HN 0.301 nan 8.230 nan 0.000 0.435 100 S N -1.449 113.823 115.700 -0.714 0.000 2.507 100 S HA -0.110 4.357 4.470 -0.006 0.000 0.235 100 S C 1.687 176.041 174.600 -0.409 0.000 0.988 100 S CA 1.170 58.743 58.200 -1.045 0.000 0.944 100 S CB -0.689 61.786 63.200 -1.208 0.000 0.762 100 S HN 0.550 nan 8.310 nan 0.000 0.526 101 L N 0.528 121.595 121.223 -0.261 0.000 2.585 101 L HA 0.321 4.657 4.340 -0.006 0.000 0.226 101 L C 0.890 177.709 176.870 -0.085 0.000 1.113 101 L CA 0.076 54.828 54.840 -0.146 0.000 0.876 101 L CB -0.217 41.771 42.059 -0.117 0.000 1.072 101 L HN 0.136 nan 8.230 nan 0.000 0.468 102 D N 1.558 121.910 120.400 -0.079 0.000 2.801 102 D HA 0.256 4.892 4.640 -0.006 0.000 0.232 102 D C 1.123 177.433 176.300 0.017 0.000 1.128 102 D CA 0.852 54.831 54.000 -0.034 0.000 1.003 102 D CB -0.263 40.509 40.800 -0.047 0.000 1.110 102 D HN 0.307 nan 8.370 nan 0.000 0.477 103 G N 2.150 110.977 108.800 0.046 0.000 2.550 103 G HA2 -0.311 3.645 3.960 -0.006 0.000 0.277 103 G HA3 -0.311 3.645 3.960 -0.006 0.000 0.277 103 G C -0.078 174.988 174.900 0.277 0.000 1.190 103 G CA -0.243 44.927 45.100 0.117 0.000 0.971 103 G HN 0.413 nan 8.290 nan 0.000 0.559 104 E N 0.533 120.837 120.200 0.173 0.000 1.861 104 E HA 0.534 4.881 4.350 -0.006 0.000 0.263 104 E C -0.207 176.489 176.600 0.159 0.000 1.137 104 E CA 0.066 56.536 56.400 0.117 0.000 0.944 104 E CB 1.074 30.697 29.700 -0.129 0.000 1.092 104 E HN 0.647 nan 8.360 nan 0.000 0.420 105 V N 3.052 123.118 119.914 0.253 0.000 2.623 105 V HA 0.488 4.605 4.120 -0.006 0.000 0.304 105 V C -0.354 175.995 176.094 0.424 0.000 1.054 105 V CA -0.966 61.504 62.300 0.282 0.000 0.882 105 V CB 2.087 34.053 31.823 0.237 0.000 1.002 105 V HN 0.438 nan 8.190 nan 0.000 0.424 106 R N 3.730 124.416 120.500 0.311 0.000 2.561 106 R HA 0.665 5.001 4.340 -0.006 0.000 0.297 106 R C -1.557 174.738 176.300 -0.007 0.000 0.969 106 R CA -0.842 55.365 56.100 0.179 0.000 0.879 106 R CB 1.774 32.129 30.300 0.091 0.000 1.178 106 R HN 0.621 nan 8.270 nan 0.000 0.445 107 L N 6.198 127.161 121.223 -0.434 0.000 2.315 107 L HA 0.231 4.567 4.340 -0.006 0.000 0.283 107 L C -0.103 176.562 176.870 -0.342 0.000 1.089 107 L CA 0.335 54.844 54.840 -0.551 0.000 0.833 107 L CB 0.941 42.374 42.059 -1.044 0.000 1.170 107 L HN 0.870 nan 8.230 nan 0.000 0.442 108 L N 2.828 123.884 121.223 -0.278 0.000 2.316 108 L HA 0.360 4.696 4.340 -0.006 0.000 0.207 108 L C 0.059 176.815 176.870 -0.189 0.000 1.070 108 L CA 0.221 54.947 54.840 -0.191 0.000 0.820 108 L CB 0.034 42.008 42.059 -0.143 0.000 0.992 108 L HN 0.627 nan 8.230 nan 0.000 0.466 109 D N -1.304 118.943 120.400 -0.254 0.000 2.653 109 D HA 0.509 5.146 4.640 -0.006 0.000 0.258 109 D C -1.611 174.511 176.300 -0.297 0.000 1.252 109 D CA -0.336 53.529 54.000 -0.225 0.000 0.777 109 D CB 1.914 42.600 40.800 -0.190 0.000 1.339 109 D HN -0.212 nan 8.370 nan 0.000 0.422 110 L N 1.496 122.527 121.223 -0.320 0.000 2.438 110 L HA 0.487 4.824 4.340 -0.006 0.000 0.270 110 L C -0.635 175.759 176.870 -0.794 0.000 0.972 110 L CA -0.707 53.846 54.840 -0.477 0.000 0.831 110 L CB 2.274 44.119 42.059 -0.357 0.000 1.273 110 L HN 0.354 nan 8.230 nan 0.000 0.405 111 E N 2.651 122.429 120.200 -0.703 0.000 2.176 111 E HA 0.576 4.922 4.350 -0.006 0.000 0.267 111 E C -1.637 174.621 176.600 -0.570 0.000 0.893 111 E CA -0.600 55.434 56.400 -0.610 0.000 0.761 111 E CB 1.304 30.835 29.700 -0.282 0.000 1.133 111 E HN 0.268 nan 8.360 nan 0.000 0.409 112 F N 4.474 124.453 119.950 0.048 0.000 2.480 112 F HA 0.462 4.987 4.527 -0.004 0.000 0.329 112 F C -1.902 173.975 175.800 0.129 0.000 1.091 112 F CA -2.787 55.270 58.000 0.094 0.000 0.972 112 F CB 0.778 39.967 39.000 0.315 0.000 1.150 112 F HN 0.289 nan 8.300 nan 0.000 0.467 113 P HA 0.036 nan 4.420 nan 0.000 0.271 113 P C 0.117 177.587 177.300 0.283 0.000 1.216 113 P CA 0.031 63.267 63.100 0.226 0.000 0.776 113 P CB 1.233 33.044 31.700 0.184 0.000 0.881 114 D N 1.817 122.321 120.400 0.173 0.000 2.149 114 D HA -0.258 4.379 4.640 -0.006 0.000 0.194 114 D C 1.725 178.114 176.300 0.148 0.000 1.001 114 D CA 1.670 55.748 54.000 0.130 0.000 0.849 114 D CB -0.102 40.730 40.800 0.053 0.000 0.939 114 D HN 0.595 nan 8.370 nan 0.000 0.449 115 E N -1.346 118.947 120.200 0.154 0.000 2.160 115 E HA -0.204 4.143 4.350 -0.006 0.000 0.195 115 E C 1.703 178.426 176.600 0.206 0.000 0.991 115 E CA 0.927 57.411 56.400 0.139 0.000 0.810 115 E CB -0.251 29.522 29.700 0.121 0.000 0.742 115 E HN 0.559 nan 8.360 nan 0.000 0.466 116 W N 1.324 122.702 121.300 0.130 0.000 2.443 116 W HA -0.023 4.634 4.660 -0.005 0.000 0.296 116 W C 1.955 178.640 176.519 0.276 0.000 1.202 116 W CA 1.367 58.827 57.345 0.191 0.000 1.312 116 W CB 0.098 29.698 29.460 0.233 0.000 1.120 116 W HN -0.104 nan 8.180 nan 0.000 0.536 117 K N 0.033 120.703 120.400 0.450 0.000 2.113 117 K HA -0.202 4.115 4.320 -0.006 0.000 0.208 117 K C 1.890 178.671 176.600 0.301 0.000 1.047 117 K CA 1.683 58.197 56.287 0.378 0.000 0.928 117 K CB -0.398 32.251 32.500 0.248 0.000 0.716 117 K HN 0.146 nan 8.250 nan 0.000 0.446 118 R N 0.989 121.559 120.500 0.117 0.000 2.341 118 R HA -0.119 4.217 4.340 -0.006 0.000 0.213 118 R C 1.548 177.827 176.300 -0.036 0.000 1.082 118 R CA 0.859 56.984 56.100 0.042 0.000 1.017 118 R CB -0.073 30.225 30.300 -0.004 0.000 0.860 118 R HN 0.380 nan 8.270 nan 0.000 0.473 119 Q N -0.614 119.083 119.800 -0.171 0.000 2.403 119 Q HA 0.087 4.424 4.340 -0.006 0.000 0.203 119 Q C -0.601 174.918 176.000 -0.802 0.000 0.932 119 Q CA 0.299 55.803 55.803 -0.497 0.000 0.945 119 Q CB 0.400 28.697 28.738 -0.735 0.000 1.045 119 Q HN 0.116 nan 8.270 nan 0.000 0.511 120 F N 0.107 119.965 119.950 -0.154 0.000 2.538 120 F HA 0.280 4.804 4.527 -0.005 0.000 0.325 120 F C -1.501 174.285 175.800 -0.023 0.000 1.066 120 F CA -2.498 55.413 58.000 -0.149 0.000 0.946 120 F CB 1.273 40.132 39.000 -0.235 0.000 1.199 120 F HN -0.196 nan 8.300 nan 0.000 0.473 121 P HA 0.113 nan 4.420 nan 0.000 0.217 121 P C 0.514 177.783 177.300 -0.053 0.000 1.154 121 P CA 1.337 64.422 63.100 -0.024 0.000 0.841 121 P CB 0.419 32.068 31.700 -0.084 0.000 0.788 122 G N 0.682 109.255 108.800 -0.379 0.000 2.796 122 G HA2 -0.150 3.806 3.960 -0.006 0.000 0.226 122 G HA3 -0.150 3.806 3.960 -0.006 0.000 0.226 122 G C -2.980 171.818 174.900 -0.171 0.000 1.381 122 G CA -0.595 44.228 45.100 -0.462 0.000 0.867 122 G HN 0.144 nan 8.290 nan 0.000 0.552 123 P HA 0.270 nan 4.420 nan 0.000 0.269 123 P C 0.814 178.056 177.300 -0.096 0.000 1.209 123 P CA -0.177 62.885 63.100 -0.063 0.000 0.776 123 P CB 0.793 32.476 31.700 -0.028 0.000 0.876 124 R N 1.831 122.237 120.500 -0.157 0.000 2.119 124 R HA 0.010 4.346 4.340 -0.006 0.000 0.222 124 R C 0.791 176.738 176.300 -0.589 0.000 1.088 124 R CA 1.577 57.435 56.100 -0.402 0.000 0.984 124 R CB -0.141 29.819 30.300 -0.568 0.000 0.884 124 R HN 0.407 nan 8.270 nan 0.000 0.447 125 F N -0.725 119.202 119.950 -0.039 0.000 2.537 125 F HA 0.381 4.904 4.527 -0.006 0.000 0.277 125 F C 1.392 177.144 175.800 -0.080 0.000 1.013 125 F CA 0.644 58.616 58.000 -0.047 0.000 1.332 125 F CB -0.306 38.668 39.000 -0.043 0.000 1.108 125 F HN 0.241 nan 8.300 nan 0.000 0.679 126 G N 1.384 110.224 108.800 0.067 0.000 2.752 126 G HA2 -0.278 3.679 3.960 -0.006 0.000 0.234 126 G HA3 -0.278 3.679 3.960 -0.006 0.000 0.234 126 G C 0.820 175.632 174.900 -0.146 0.000 1.367 126 G CA -0.080 44.983 45.100 -0.061 0.000 0.879 126 G HN 0.237 nan 8.290 nan 0.000 0.563 127 I N 0.019 120.396 120.570 -0.323 0.000 2.163 127 I HA -0.189 3.977 4.170 -0.006 0.000 0.243 127 I C 2.511 178.462 176.117 -0.278 0.000 1.085 127 I CA 2.141 63.071 61.300 -0.617 0.000 1.347 127 I CB -0.427 37.075 38.000 -0.831 0.000 1.044 127 I HN 0.533 nan 8.210 nan 0.000 0.408 128 D N 0.978 121.275 120.400 -0.171 0.000 2.104 128 D HA -0.145 4.492 4.640 -0.006 0.000 0.194 128 D C 2.187 178.495 176.300 0.013 0.000 0.994 128 D CA 1.692 55.641 54.000 -0.085 0.000 0.830 128 D CB -0.667 40.107 40.800 -0.043 0.000 0.959 128 D HN 0.400 nan 8.370 nan 0.000 0.452 129 G N 0.871 109.713 108.800 0.070 0.000 2.418 129 G HA2 -0.196 3.760 3.960 -0.006 0.000 0.217 129 G HA3 -0.196 3.760 3.960 -0.006 0.000 0.217 129 G C 1.560 176.516 174.900 0.092 0.000 1.158 129 G CA 0.300 45.507 45.100 0.178 0.000 0.771 129 G HN 0.166 nan 8.290 nan 0.000 0.545 130 I N 0.757 121.362 120.570 0.059 0.000 2.252 130 I HA -0.043 4.124 4.170 -0.006 0.000 0.245 130 I C 2.769 178.960 176.117 0.123 0.000 1.102 130 I CA 0.850 62.180 61.300 0.049 0.000 1.385 130 I CB -1.007 37.022 38.000 0.049 0.000 1.064 130 I HN 0.177 nan 8.210 nan 0.000 0.414 131 R N 0.545 121.141 120.500 0.159 0.000 2.096 131 R HA -0.180 4.156 4.340 -0.006 0.000 0.235 131 R C 1.818 178.228 176.300 0.185 0.000 1.127 131 R CA 1.444 57.627 56.100 0.139 0.000 0.968 131 R CB -0.196 30.069 30.300 -0.058 0.000 0.861 131 R HN 0.380 nan 8.270 nan 0.000 0.440 132 D N -0.141 120.364 120.400 0.175 0.000 2.149 132 D HA -0.085 4.552 4.640 -0.006 0.000 0.201 132 D C 1.965 178.313 176.300 0.080 0.000 0.972 132 D CA 0.775 54.882 54.000 0.178 0.000 0.835 132 D CB -0.029 40.862 40.800 0.151 0.000 0.966 132 D HN 0.004 nan 8.370 nan 0.000 0.476 133 R N 0.454 120.973 120.500 0.031 0.000 2.120 133 R HA -0.040 4.296 4.340 -0.006 0.000 0.234 133 R C 2.034 178.330 176.300 -0.007 0.000 1.123 133 R CA 0.354 56.436 56.100 -0.030 0.000 0.975 133 R CB -0.749 29.479 30.300 -0.120 0.000 0.866 133 R HN 0.164 nan 8.270 nan 0.000 0.446 134 V N -0.434 119.500 119.914 0.034 0.000 3.590 134 V HA 0.190 4.307 4.120 -0.006 0.000 0.265 134 V C 0.786 176.910 176.094 0.050 0.000 1.239 134 V CA 1.096 63.416 62.300 0.033 0.000 1.117 134 V CB 0.070 31.918 31.823 0.041 0.000 0.818 134 V HN 0.578 nan 8.190 nan 0.000 0.451 135 G N 0.624 109.472 108.800 0.081 0.000 2.160 135 G HA2 -0.193 3.764 3.960 -0.006 0.000 0.244 135 G HA3 -0.193 3.764 3.960 -0.006 0.000 0.244 135 G C -0.000 174.978 174.900 0.130 0.000 1.022 135 G CA 0.323 45.474 45.100 0.086 0.000 0.741 135 G HN 0.804 nan 8.290 nan 0.000 0.508 136 V N 1.156 121.185 119.914 0.191 0.000 2.350 136 V HA 0.622 4.739 4.120 -0.006 0.000 0.285 136 V C 0.014 176.284 176.094 0.293 0.000 1.014 136 V CA -0.908 61.507 62.300 0.191 0.000 0.831 136 V CB 1.415 33.304 31.823 0.109 0.000 1.000 136 V HN 0.390 nan 8.190 nan 0.000 0.433 137 H N 2.860 121.967 119.070 0.061 0.000 2.616 137 H HA 0.583 5.136 4.556 -0.005 0.000 0.353 137 H C 0.747 176.112 175.328 0.063 0.000 1.170 137 H CA 0.050 56.137 56.048 0.064 0.000 1.212 137 H CB 1.356 31.146 29.762 0.048 0.000 1.653 137 H HN 0.796 nan 8.280 nan 0.000 0.537 138 N N -0.764 118.013 118.700 0.129 0.000 3.158 138 N HA -0.287 4.450 4.740 -0.006 0.000 0.224 138 N C -0.173 175.389 175.510 0.086 0.000 0.158 138 N CA 1.459 54.567 53.050 0.096 0.000 3.883 138 N CB -0.788 37.760 38.487 0.102 0.000 1.031 138 N HN 0.667 nan 8.380 nan 0.000 0.236 139 R N 3.100 123.654 120.500 0.090 0.000 2.694 139 R HA 0.435 4.771 4.340 -0.006 0.000 0.268 139 R C -2.861 173.494 176.300 0.091 0.000 1.061 139 R CA -1.046 55.103 56.100 0.081 0.000 1.133 139 R CB 0.039 30.379 30.300 0.067 0.000 1.020 139 R HN 0.070 nan 8.270 nan 0.000 0.475 140 P HA 0.003 nan 4.420 nan 0.000 0.269 140 P C -0.485 176.831 177.300 0.026 0.000 1.215 140 P CA -0.082 63.072 63.100 0.089 0.000 0.780 140 P CB 0.502 32.249 31.700 0.078 0.000 0.898 141 L N 1.495 122.690 121.223 -0.046 0.000 2.468 141 L HA 0.456 4.792 4.340 -0.006 0.000 0.254 141 L C 0.196 176.979 176.870 -0.147 0.000 1.171 141 L CA -0.661 54.107 54.840 -0.119 0.000 0.809 141 L CB 0.197 42.101 42.059 -0.258 0.000 1.155 141 L HN 0.242 nan 8.230 nan 0.000 0.473 142 L N 2.135 123.265 121.223 -0.155 0.000 2.385 142 L HA 0.638 4.974 4.340 -0.006 0.000 0.273 142 L C -0.765 175.963 176.870 -0.237 0.000 0.990 142 L CA -0.118 54.595 54.840 -0.211 0.000 0.821 142 L CB 1.665 43.625 42.059 -0.164 0.000 1.279 142 L HN 0.636 nan 8.230 nan 0.000 0.412 143 M N 3.766 123.185 119.600 -0.301 0.000 2.550 143 M HA 0.776 5.253 4.480 -0.006 0.000 0.292 143 M C -1.235 174.881 176.300 -0.307 0.000 1.221 143 M CA -0.208 54.928 55.300 -0.274 0.000 0.873 143 M CB 2.313 34.758 32.600 -0.258 0.000 1.727 143 M HN 0.800 nan 8.290 nan 0.000 0.459 144 S N 3.361 118.904 115.700 -0.262 0.000 2.632 144 S HA 0.824 5.291 4.470 -0.006 0.000 0.289 144 S C -0.910 173.586 174.600 -0.174 0.000 1.115 144 S CA -0.870 57.179 58.200 -0.252 0.000 0.889 144 S CB 1.629 64.648 63.200 -0.300 0.000 1.116 144 S HN 0.711 nan 8.310 nan 0.000 0.486 145 I N 1.211 121.732 120.570 -0.082 0.000 2.474 145 I HA 0.415 4.582 4.170 -0.006 0.000 0.294 145 I C -0.788 175.428 176.117 0.166 0.000 1.005 145 I CA -0.837 60.483 61.300 0.034 0.000 1.113 145 I CB 1.332 39.375 38.000 0.072 0.000 1.289 145 I HN 0.574 nan 8.210 nan 0.000 0.436 146 F N 4.541 124.558 119.950 0.111 0.000 2.602 146 F HA 0.059 4.582 4.527 -0.006 0.000 0.367 146 F C 0.812 176.603 175.800 -0.014 0.000 1.126 146 F CA 0.416 58.456 58.000 0.067 0.000 1.321 146 F CB 0.348 39.360 39.000 0.020 0.000 1.094 146 F HN 0.365 nan 8.300 nan 0.000 0.594 147 K N 2.226 122.607 120.400 -0.032 0.000 2.206 147 K HA 0.481 4.798 4.320 -0.006 0.000 0.264 147 K C 0.513 177.119 176.600 0.010 0.000 0.967 147 K CA -0.240 55.973 56.287 -0.124 0.000 0.844 147 K CB 1.423 33.629 32.500 -0.491 0.000 1.099 147 K HN 0.831 nan 8.250 nan 0.000 0.441 148 G N 4.186 113.006 108.800 0.035 0.000 2.395 148 G HA2 -0.264 3.692 3.960 -0.006 0.000 0.300 148 G HA3 -0.264 3.692 3.960 -0.006 0.000 0.300 148 G C 0.240 175.169 174.900 0.047 0.000 0.998 148 G CA 0.776 45.898 45.100 0.037 0.000 1.046 148 G HN 0.709 nan 8.290 nan 0.000 0.513 149 M N -0.256 119.373 119.600 0.048 0.000 2.506 149 M HA 0.353 4.830 4.480 -0.006 0.000 0.260 149 M C 1.510 177.793 176.300 -0.028 0.000 1.104 149 M CA 0.208 55.518 55.300 0.017 0.000 1.112 149 M CB 0.098 32.653 32.600 -0.075 0.000 1.401 149 M HN 0.342 nan 8.290 nan 0.000 0.473 150 I N 1.142 121.701 120.570 -0.019 0.000 2.742 150 I HA 0.080 4.247 4.170 -0.006 0.000 0.287 150 I C 1.358 177.457 176.117 -0.029 0.000 1.186 150 I CA 0.934 62.228 61.300 -0.011 0.000 1.417 150 I CB -0.414 37.594 38.000 0.014 0.000 1.377 150 I HN 0.678 nan 8.210 nan 0.000 0.556 151 G N 5.073 113.858 108.800 -0.026 0.000 2.195 151 G HA2 -0.201 3.756 3.960 -0.006 0.000 0.246 151 G HA3 -0.201 3.756 3.960 -0.006 0.000 0.246 151 G C 0.448 175.305 174.900 -0.072 0.000 0.984 151 G CA -0.510 44.566 45.100 -0.041 0.000 0.633 151 G HN 0.515 nan 8.290 nan 0.000 0.525 152 R N 1.024 121.472 120.500 -0.086 0.000 2.553 152 R HA 0.570 4.906 4.340 -0.006 0.000 0.263 152 R C 0.193 176.475 176.300 -0.029 0.000 1.066 152 R CA 0.213 56.246 56.100 -0.112 0.000 1.135 152 R CB 0.527 30.750 30.300 -0.128 0.000 1.148 152 R HN 0.540 nan 8.270 nan 0.000 0.558 153 D N -1.072 119.333 120.400 0.009 0.000 2.494 153 D HA 0.162 4.799 4.640 -0.006 0.000 0.259 153 D C 1.214 177.549 176.300 0.059 0.000 1.109 153 D CA -0.758 53.261 54.000 0.031 0.000 1.040 153 D CB 0.481 41.297 40.800 0.027 0.000 1.175 153 D HN 0.287 nan 8.370 nan 0.000 0.584 154 L N -0.272 120.973 121.223 0.036 0.000 2.127 154 L HA -0.127 4.210 4.340 -0.006 0.000 0.211 154 L C 2.425 179.318 176.870 0.039 0.000 1.089 154 L CA 1.661 56.517 54.840 0.026 0.000 0.757 154 L CB -0.603 41.467 42.059 0.017 0.000 0.899 154 L HN 0.624 nan 8.230 nan 0.000 0.434 155 A N -0.913 121.942 122.820 0.058 0.000 1.930 155 A HA -0.267 4.050 4.320 -0.006 0.000 0.217 155 A C 2.163 179.797 177.584 0.084 0.000 1.175 155 A CA 1.371 53.444 52.037 0.059 0.000 0.627 155 A CB -0.748 18.290 19.000 0.063 0.000 0.815 155 A HN 0.441 nan 8.150 nan 0.000 0.443 156 Y N -0.085 120.211 120.300 -0.006 0.000 2.200 156 Y HA -0.084 4.462 4.550 -0.006 0.000 0.290 156 Y C 2.043 177.952 175.900 0.014 0.000 1.137 156 Y CA 1.571 59.673 58.100 0.003 0.000 1.163 156 Y CB -0.229 38.225 38.460 -0.009 0.000 0.988 156 Y HN 0.283 nan 8.280 nan 0.000 0.518 157 L N -0.435 120.821 121.223 0.055 0.000 2.012 157 L HA -0.242 4.095 4.340 -0.006 0.000 0.210 157 L C 2.503 179.378 176.870 0.007 0.000 1.073 157 L CA 2.429 57.238 54.840 -0.052 0.000 0.748 157 L CB -0.832 41.138 42.059 -0.148 0.000 0.891 157 L HN 0.464 nan 8.230 nan 0.000 0.431 158 T N -3.130 111.416 114.554 -0.014 0.000 2.788 158 T HA -0.171 4.175 4.350 -0.006 0.000 0.268 158 T C 2.016 176.693 174.700 -0.039 0.000 1.044 158 T CA 1.349 63.439 62.100 -0.017 0.000 1.139 158 T CB -0.863 67.998 68.868 -0.012 0.000 0.867 158 T HN 0.605 nan 8.240 nan 0.000 0.454 159 S N 1.682 117.338 115.700 -0.073 0.000 2.368 159 S HA -0.104 4.363 4.470 -0.006 0.000 0.224 159 S C 2.048 176.565 174.600 -0.137 0.000 1.029 159 S CA 0.782 58.918 58.200 -0.106 0.000 0.988 159 S CB -0.459 62.663 63.200 -0.129 0.000 0.838 159 S HN 0.418 nan 8.310 nan 0.000 0.462 160 E N 1.063 121.153 120.200 -0.183 0.000 2.106 160 E HA 0.018 4.365 4.350 -0.006 0.000 0.192 160 E C 2.026 178.574 176.600 -0.088 0.000 0.984 160 E CA 0.629 56.954 56.400 -0.125 0.000 0.806 160 E CB -0.514 29.142 29.700 -0.074 0.000 0.750 160 E HN 0.477 nan 8.360 nan 0.000 0.458 161 L N 1.665 122.876 121.223 -0.020 0.000 2.056 161 L HA -0.141 4.195 4.340 -0.006 0.000 0.207 161 L C 1.942 178.713 176.870 -0.165 0.000 1.078 161 L CA 1.795 56.529 54.840 -0.178 0.000 0.749 161 L CB -0.247 41.774 42.059 -0.064 0.000 0.901 161 L HN -0.079 nan 8.230 nan 0.000 0.433 162 K N -0.562 119.777 120.400 -0.101 0.000 2.057 162 K HA -0.173 4.144 4.320 -0.006 0.000 0.207 162 K C 2.096 178.642 176.600 -0.089 0.000 1.049 162 K CA 1.566 57.803 56.287 -0.083 0.000 0.931 162 K CB -0.140 32.325 32.500 -0.058 0.000 0.714 162 K HN 0.307 nan 8.250 nan 0.000 0.440 163 K N 0.991 121.337 120.400 -0.090 0.000 2.063 163 K HA -0.204 4.112 4.320 -0.006 0.000 0.208 163 K C 2.267 178.804 176.600 -0.106 0.000 1.048 163 K CA 1.587 57.827 56.287 -0.078 0.000 0.928 163 K CB -0.052 32.416 32.500 -0.053 0.000 0.713 163 K HN 0.206 nan 8.250 nan 0.000 0.442 164 Q N -0.021 119.688 119.800 -0.152 0.000 2.079 164 Q HA -0.107 4.230 4.340 -0.006 0.000 0.200 164 Q C 2.168 178.070 176.000 -0.163 0.000 0.974 164 Q CA 1.450 57.134 55.803 -0.199 0.000 0.840 164 Q CB -0.125 28.432 28.738 -0.302 0.000 0.898 164 Q HN 0.345 nan 8.270 nan 0.000 0.430 165 A N 0.673 123.406 122.820 -0.145 0.000 1.930 165 A HA -0.115 4.201 4.320 -0.006 0.000 0.217 165 A C 1.988 179.527 177.584 -0.075 0.000 1.175 165 A CA 0.937 52.913 52.037 -0.103 0.000 0.627 165 A CB -0.544 18.406 19.000 -0.083 0.000 0.815 165 A HN 0.293 nan 8.150 nan 0.000 0.443 166 L N -0.622 120.556 121.223 -0.074 0.000 2.362 166 L HA -0.073 4.264 4.340 -0.006 0.000 0.219 166 L C 2.479 179.311 176.870 -0.063 0.000 1.134 166 L CA 0.685 55.488 54.840 -0.061 0.000 0.807 166 L CB -0.354 41.671 42.059 -0.056 0.000 0.927 166 L HN 0.492 nan 8.230 nan 0.000 0.447 167 G N -1.136 107.617 108.800 -0.078 0.000 2.744 167 G HA2 0.178 4.135 3.960 -0.006 0.000 0.211 167 G HA3 0.178 4.135 3.960 -0.006 0.000 0.211 167 G C 1.248 176.113 174.900 -0.059 0.000 1.143 167 G CA 0.523 45.576 45.100 -0.077 0.000 0.788 167 G HN 0.490 nan 8.290 nan 0.000 0.534 168 G N -0.940 107.826 108.800 -0.057 0.000 2.141 168 G HA2 -0.112 3.845 3.960 -0.006 0.000 0.231 168 G HA3 -0.112 3.845 3.960 -0.006 0.000 0.231 168 G C 0.464 175.334 174.900 -0.050 0.000 0.984 168 G CA 0.394 45.470 45.100 -0.040 0.000 0.660 168 G HN 1.436 nan 8.290 nan 0.000 0.525 169 V N -2.145 117.719 119.914 -0.083 0.000 2.924 169 V HA 0.560 4.676 4.120 -0.006 0.000 0.305 169 V C 1.133 177.173 176.094 -0.090 0.000 1.073 169 V CA 0.523 62.757 62.300 -0.110 0.000 1.098 169 V CB 1.261 32.984 31.823 -0.167 0.000 1.000 169 V HN 0.082 nan 8.190 nan 0.000 0.484 170 D N 1.618 121.962 120.400 -0.094 0.000 2.249 170 D HA 0.207 4.843 4.640 -0.006 0.000 0.205 170 D C 0.259 176.514 176.300 -0.076 0.000 0.962 170 D CA 1.102 55.062 54.000 -0.066 0.000 0.860 170 D CB 0.806 41.568 40.800 -0.063 0.000 0.955 170 D HN 0.562 nan 8.370 nan 0.000 0.505 171 L N 0.405 121.558 121.223 -0.117 0.000 2.466 171 L HA 0.375 4.712 4.340 -0.006 0.000 0.258 171 L C -1.350 175.432 176.870 -0.146 0.000 0.973 171 L CA -0.570 54.201 54.840 -0.116 0.000 0.826 171 L CB 2.483 44.453 42.059 -0.148 0.000 1.372 171 L HN -0.341 nan 8.230 nan 0.000 0.409 175 D N 0.898 121.356 120.400 0.098 0.000 2.372 175 D HA 0.007 4.644 4.640 -0.006 0.000 0.243 175 D C 1.330 177.556 176.300 -0.125 0.000 1.121 175 D CA 0.056 54.065 54.000 0.015 0.000 0.898 175 D CB 1.012 41.819 40.800 0.012 0.000 1.202 175 D HN 0.333 nan 8.370 nan 0.000 0.428 176 E N 3.536 123.605 120.200 -0.218 0.000 2.409 176 E HA -0.157 4.189 4.350 -0.006 0.000 0.198 176 E C 1.426 177.772 176.600 -0.423 0.000 1.024 176 E CA 0.816 56.981 56.400 -0.392 0.000 0.861 176 E CB -0.549 28.650 29.700 -0.834 0.000 0.788 176 E HN 0.717 nan 8.360 nan 0.000 0.521 177 I N -1.285 119.086 120.570 -0.332 0.000 3.855 177 I HA 0.278 4.444 4.170 -0.006 0.000 0.327 177 I C 0.333 176.107 176.117 -0.572 0.000 1.359 177 I CA -0.714 60.366 61.300 -0.367 0.000 1.142 177 I CB 0.025 38.015 38.000 -0.016 0.000 1.041 177 I HN -0.141 nan 8.210 nan 0.000 0.403 178 L N 2.238 123.118 121.223 -0.572 0.000 2.283 178 L HA 0.519 4.856 4.340 -0.006 0.000 0.287 178 L C -0.880 175.649 176.870 -0.567 0.000 1.073 178 L CA 0.158 54.768 54.840 -0.384 0.000 0.822 178 L CB 0.157 42.097 42.059 -0.198 0.000 1.186 178 L HN -0.024 nan 8.230 nan 0.000 0.436 179 F N 1.857 121.814 119.950 0.013 0.000 2.497 179 F HA 0.418 4.942 4.527 -0.006 0.000 0.331 179 F C 0.657 176.474 175.800 0.028 0.000 1.060 179 F CA -0.829 57.183 58.000 0.019 0.000 0.989 179 F CB 0.603 39.607 39.000 0.008 0.000 1.245 179 F HN 0.393 nan 8.300 nan 0.000 0.486 180 D N 0.704 121.240 120.400 0.227 0.000 2.423 180 D HA 0.349 4.986 4.640 -0.006 0.000 0.238 180 D C -0.136 176.238 176.300 0.124 0.000 1.142 180 D CA 0.430 54.522 54.000 0.152 0.000 0.884 180 D CB 0.914 41.794 40.800 0.134 0.000 1.199 180 D HN 0.561 nan 8.370 nan 0.000 0.438 181 S N -0.313 115.442 115.700 0.091 0.000 2.643 181 S HA 0.266 4.732 4.470 -0.006 0.000 0.270 181 S C 0.588 175.219 174.600 0.052 0.000 1.166 181 S CA -0.844 57.395 58.200 0.066 0.000 0.815 181 S CB 1.470 64.704 63.200 0.057 0.000 1.139 181 S HN 0.349 nan 8.310 nan 0.000 0.472 182 E N 0.258 120.481 120.200 0.038 0.000 2.110 182 E HA -0.041 4.305 4.350 -0.006 0.000 0.193 182 E C 1.592 178.209 176.600 0.028 0.000 0.988 182 E CA 1.211 57.630 56.400 0.031 0.000 0.804 182 E CB -0.441 29.273 29.700 0.023 0.000 0.745 182 E HN 0.496 nan 8.360 nan 0.000 0.458 183 L N 0.184 121.421 121.223 0.024 0.000 2.056 183 L HA -0.070 4.266 4.340 -0.006 0.000 0.207 183 L C 1.102 177.984 176.870 0.019 0.000 1.078 183 L CA 0.796 55.647 54.840 0.017 0.000 0.749 183 L CB 0.065 42.130 42.059 0.008 0.000 0.901 183 L HN 0.092 nan 8.230 nan 0.000 0.433 184 L N 0.420 121.658 121.223 0.026 0.000 2.502 184 L HA 0.351 4.688 4.340 -0.006 0.000 0.247 184 L C -2.434 174.469 176.870 0.055 0.000 1.180 184 L CA -1.744 53.112 54.840 0.026 0.000 0.956 184 L CB 0.860 42.921 42.059 0.004 0.000 1.282 184 L HN -0.163 nan 8.230 nan 0.000 0.470 185 P HA 0.032 nan 4.420 nan 0.000 0.271 185 P C 0.637 178.011 177.300 0.123 0.000 1.216 185 P CA -0.284 62.873 63.100 0.095 0.000 0.776 185 P CB 0.705 32.447 31.700 0.070 0.000 0.881 186 F N 3.505 123.460 119.950 0.007 0.000 2.043 186 F HA -0.269 4.255 4.527 -0.006 0.000 0.297 186 F C 1.811 177.604 175.800 -0.012 0.000 1.118 186 F CA 1.981 59.976 58.000 -0.008 0.000 1.202 186 F CB -0.518 38.478 39.000 -0.007 0.000 0.965 186 F HN 0.410 nan 8.300 nan 0.000 0.482 187 E N -0.169 119.998 120.200 -0.055 0.000 2.153 187 E HA -0.215 4.132 4.350 -0.006 0.000 0.194 187 E C 2.150 178.669 176.600 -0.134 0.000 0.988 187 E CA 1.316 57.611 56.400 -0.176 0.000 0.811 187 E CB -0.162 29.528 29.700 -0.016 0.000 0.746 187 E HN 0.500 nan 8.360 nan 0.000 0.466 188 K N 0.505 120.873 120.400 -0.054 0.000 2.097 188 K HA -0.050 4.267 4.320 -0.006 0.000 0.205 188 K C 2.181 178.768 176.600 -0.023 0.000 1.050 188 K CA 0.646 56.918 56.287 -0.026 0.000 0.938 188 K CB -0.018 32.484 32.500 0.003 0.000 0.718 188 K HN 0.020 nan 8.250 nan 0.000 0.442 189 R N 0.761 121.243 120.500 -0.030 0.000 2.091 189 R HA -0.094 4.242 4.340 -0.006 0.000 0.238 189 R C 2.333 178.692 176.300 0.097 0.000 1.136 189 R CA 1.282 57.415 56.100 0.056 0.000 0.959 189 R CB -0.471 29.867 30.300 0.063 0.000 0.856 189 R HN 0.213 nan 8.270 nan 0.000 0.437 190 I N 0.582 121.073 120.570 -0.132 0.000 2.142 190 I HA -0.278 3.889 4.170 -0.006 0.000 0.240 190 I C 2.729 178.826 176.117 -0.033 0.000 1.078 190 I CA 1.924 63.133 61.300 -0.152 0.000 1.343 190 I CB -0.694 37.096 38.000 -0.351 0.000 1.046 190 I HN 0.327 nan 8.210 nan 0.000 0.405 191 T N -1.787 112.737 114.554 -0.051 0.000 2.777 191 T HA -0.105 4.241 4.350 -0.006 0.000 0.266 191 T C 1.761 176.465 174.700 0.008 0.000 1.040 191 T CA 0.885 62.972 62.100 -0.021 0.000 1.141 191 T CB -0.291 68.560 68.868 -0.027 0.000 0.868 191 T HN 0.200 nan 8.240 nan 0.000 0.444 192 E N 1.422 121.631 120.200 0.015 0.000 2.106 192 E HA 0.034 4.380 4.350 -0.006 0.000 0.192 192 E C 2.552 179.171 176.600 0.030 0.000 0.984 192 E CA 1.178 57.590 56.400 0.019 0.000 0.806 192 E CB -0.942 28.767 29.700 0.015 0.000 0.750 192 E HN 0.688 nan 8.360 nan 0.000 0.458 193 G N 1.684 110.527 108.800 0.073 0.000 2.418 193 G HA2 -0.305 3.652 3.960 -0.006 0.000 0.217 193 G HA3 -0.305 3.652 3.960 -0.006 0.000 0.217 193 G C 1.636 176.579 174.900 0.072 0.000 1.158 193 G CA 1.010 46.154 45.100 0.074 0.000 0.771 193 G HN 0.249 nan 8.290 nan 0.000 0.545 194 K N 0.571 121.021 120.400 0.083 0.000 2.026 194 K HA 0.018 4.335 4.320 -0.006 0.000 0.208 194 K C 2.783 179.398 176.600 0.026 0.000 1.048 194 K CA 1.348 57.665 56.287 0.049 0.000 0.929 194 K CB -0.344 32.170 32.500 0.024 0.000 0.713 194 K HN 0.194 nan 8.250 nan 0.000 0.439 195 A N 1.068 123.900 122.820 0.020 0.000 1.883 195 A HA -0.132 4.185 4.320 -0.006 0.000 0.217 195 A C 2.357 179.949 177.584 0.014 0.000 1.186 195 A CA 2.000 54.045 52.037 0.014 0.000 0.624 195 A CB -0.936 18.070 19.000 0.010 0.000 0.822 195 A HN 0.510 nan 8.150 nan 0.000 0.444 196 A N -0.326 122.499 122.820 0.007 0.000 1.902 196 A HA -0.055 4.262 4.320 -0.006 0.000 0.217 196 A C 2.162 179.745 177.584 -0.001 0.000 1.181 196 A CA 1.556 53.591 52.037 -0.004 0.000 0.623 196 A CB -0.608 18.380 19.000 -0.020 0.000 0.818 196 A HN 0.483 nan 8.150 nan 0.000 0.443 197 L N -1.142 120.083 121.223 0.004 0.000 2.141 197 L HA -0.172 4.164 4.340 -0.006 0.000 0.209 197 L C 2.770 179.670 176.870 0.050 0.000 1.094 197 L CA 1.435 56.283 54.840 0.014 0.000 0.763 197 L CB -0.367 41.700 42.059 0.013 0.000 0.908 197 L HN 0.445 nan 8.230 nan 0.000 0.437 198 Q N 0.658 120.487 119.800 0.049 0.000 2.172 198 Q HA -0.176 4.160 4.340 -0.006 0.000 0.200 198 Q C 1.896 177.958 176.000 0.103 0.000 0.964 198 Q CA 1.472 57.323 55.803 0.081 0.000 0.855 198 Q CB 0.034 28.799 28.738 0.045 0.000 0.918 198 Q HN 0.441 nan 8.270 nan 0.000 0.444 199 E N -1.025 119.207 120.200 0.055 0.000 2.110 199 E HA -0.129 4.218 4.350 -0.006 0.000 0.193 199 E C 1.882 178.498 176.600 0.027 0.000 0.988 199 E CA 1.318 57.739 56.400 0.035 0.000 0.804 199 E CB 0.082 29.790 29.700 0.014 0.000 0.745 199 E HN 0.177 nan 8.360 nan 0.000 0.458 200 V N 0.668 120.599 119.914 0.029 0.000 2.358 200 V HA -0.261 3.855 4.120 -0.006 0.000 0.246 200 V C 2.014 178.118 176.094 0.016 0.000 1.047 200 V CA 1.777 64.083 62.300 0.010 0.000 1.035 200 V CB -0.530 31.294 31.823 0.002 0.000 0.658 200 V HN 0.333 nan 8.190 nan 0.000 0.452 201 Y N 1.451 121.737 120.300 -0.023 0.000 2.165 201 Y HA -0.222 4.325 4.550 -0.006 0.000 0.286 201 Y C 2.586 178.477 175.900 -0.015 0.000 1.155 201 Y CA 1.881 59.970 58.100 -0.018 0.000 1.164 201 Y CB -0.175 38.276 38.460 -0.014 0.000 0.978 201 Y HN 0.257 nan 8.280 nan 0.000 0.513 202 E N 0.415 120.591 120.200 -0.042 0.000 2.130 202 E HA -0.279 4.068 4.350 -0.006 0.000 0.196 202 E C 2.048 178.552 176.600 -0.161 0.000 0.998 202 E CA 2.012 58.356 56.400 -0.095 0.000 0.806 202 E CB -0.394 29.314 29.700 0.012 0.000 0.738 202 E HN 0.876 nan 8.360 nan 0.000 0.459 203 Q N -0.360 119.364 119.800 -0.127 0.000 2.259 203 Q HA 0.019 4.356 4.340 -0.006 0.000 0.201 203 Q C 1.801 177.721 176.000 -0.134 0.000 0.938 203 Q CA 1.497 57.234 55.803 -0.110 0.000 0.872 203 Q CB -0.089 28.610 28.738 -0.066 0.000 0.971 203 Q HN 0.215 nan 8.270 nan 0.000 0.494 204 T N -4.360 110.101 114.554 -0.155 0.000 2.985 204 T HA 0.422 4.769 4.350 -0.006 0.000 0.254 204 T C 1.366 175.952 174.700 -0.190 0.000 1.021 204 T CA 0.460 62.479 62.100 -0.136 0.000 0.957 204 T CB 0.783 69.599 68.868 -0.085 0.000 1.047 204 T HN 0.570 nan 8.240 nan 0.000 0.511 205 G N 1.317 109.897 108.800 -0.366 0.000 2.159 205 G HA2 -0.256 3.700 3.960 -0.006 0.000 0.256 205 G HA3 -0.256 3.700 3.960 -0.006 0.000 0.256 205 G C -0.064 174.753 174.900 -0.138 0.000 0.977 205 G CA 0.298 45.109 45.100 -0.481 0.000 0.652 205 G HN 0.843 nan 8.290 nan 0.000 0.531 206 K N 0.112 120.494 120.400 -0.029 0.000 2.172 206 K HA 0.700 5.017 4.320 -0.006 0.000 0.276 206 K C 0.251 176.989 176.600 0.231 0.000 1.013 206 K CA -1.075 55.268 56.287 0.095 0.000 0.913 206 K CB 0.684 33.199 32.500 0.025 0.000 1.055 206 K HN 0.184 nan 8.250 nan 0.000 0.461 207 R N 2.116 122.733 120.500 0.195 0.000 2.294 207 R HA 0.445 4.782 4.340 -0.006 0.000 0.319 207 R C -1.236 175.092 176.300 0.047 0.000 0.984 207 R CA -0.063 56.110 56.100 0.123 0.000 0.861 207 R CB 0.914 31.238 30.300 0.041 0.000 1.104 207 R HN 0.699 nan 8.270 nan 0.000 0.451 208 T N 5.498 120.068 114.554 0.026 0.000 2.881 208 T HA 0.453 4.799 4.350 -0.006 0.000 0.290 208 T C -0.486 174.213 174.700 -0.001 0.000 1.000 208 T CA -0.659 61.438 62.100 -0.005 0.000 0.978 208 T CB 0.937 69.787 68.868 -0.029 0.000 0.997 208 T HN 0.352 nan 8.240 nan 0.000 0.443 209 L N 2.457 123.679 121.223 -0.002 0.000 2.360 209 L HA 0.583 4.920 4.340 -0.006 0.000 0.271 209 L C -0.912 176.008 176.870 0.084 0.000 1.057 209 L CA -1.223 53.633 54.840 0.027 0.000 0.803 209 L CB 0.832 42.895 42.059 0.007 0.000 1.207 209 L HN 0.569 nan 8.230 nan 0.000 0.445 210 Y N 1.637 121.906 120.300 -0.051 0.000 2.328 210 Y HA 0.611 5.158 4.550 -0.006 0.000 0.333 210 Y C -0.401 175.477 175.900 -0.037 0.000 0.958 210 Y CA -1.874 56.208 58.100 -0.030 0.000 1.167 210 Y CB 1.465 39.930 38.460 0.009 0.000 1.151 210 Y HN 0.545 nan 8.280 nan 0.000 0.470 211 A N 6.822 129.692 122.820 0.083 0.000 2.294 211 A HA 0.554 4.871 4.320 -0.006 0.000 0.316 211 A C -1.047 176.385 177.584 -0.254 0.000 1.359 211 A CA -0.532 51.426 52.037 -0.131 0.000 0.956 211 A CB 0.048 18.968 19.000 -0.134 0.000 1.155 211 A HN 0.677 nan 8.150 nan 0.000 0.544 212 V N 3.894 123.539 119.914 -0.448 0.000 2.465 212 V HA 0.241 4.358 4.120 -0.006 0.000 0.279 212 V C 0.180 176.251 176.094 -0.039 0.000 1.045 212 V CA -0.830 61.217 62.300 -0.422 0.000 0.938 212 V CB 1.206 32.679 31.823 -0.582 0.000 0.986 212 V HN 0.916 nan 8.190 nan 0.000 0.467 213 N N 4.830 123.543 118.700 0.022 0.000 2.468 213 N HA 0.120 4.856 4.740 -0.006 0.000 0.265 213 N C -0.766 174.812 175.510 0.115 0.000 1.199 213 N CA 0.069 53.146 53.050 0.046 0.000 0.928 213 N CB 0.756 39.210 38.487 -0.054 0.000 1.059 213 N HN 0.646 nan 8.380 nan 0.000 0.467 214 L N 3.958 125.223 121.223 0.070 0.000 2.272 214 L HA 0.449 4.786 4.340 -0.006 0.000 0.284 214 L C 0.199 177.069 176.870 -0.000 0.000 1.045 214 L CA -0.077 54.706 54.840 -0.095 0.000 0.842 214 L CB 0.357 42.359 42.059 -0.096 0.000 1.224 214 L HN 0.730 nan 8.230 nan 0.000 0.430 215 T N 1.257 115.780 114.554 -0.052 0.000 2.724 215 T HA 1.003 5.350 4.350 -0.006 0.000 0.274 215 T C 0.234 175.007 174.700 0.122 0.000 0.984 215 T CA -0.397 61.810 62.100 0.178 0.000 1.024 215 T CB 1.255 70.335 68.868 0.354 0.000 1.320 215 T HN 1.339 nan 8.240 nan 0.000 0.555 216 G N 0.288 109.230 108.800 0.236 0.000 2.610 216 G HA2 0.000 3.957 3.960 -0.006 0.000 0.304 216 G HA3 0.000 3.957 3.960 -0.006 0.000 0.304 216 G C -0.965 174.059 174.900 0.206 0.000 1.309 216 G CA -0.691 44.492 45.100 0.137 0.000 0.906 216 G HN 0.872 nan 8.290 nan 0.000 0.521 217 K N -0.035 120.442 120.400 0.129 0.000 2.355 217 K HA 0.357 4.674 4.320 -0.006 0.000 0.270 217 K C 1.853 178.559 176.600 0.177 0.000 1.003 217 K CA 0.391 56.774 56.287 0.160 0.000 0.957 217 K CB 0.401 32.973 32.500 0.119 0.000 0.939 217 K HN 0.544 nan 8.250 nan 0.000 0.482 218 T N 1.877 116.554 114.554 0.204 0.000 2.635 218 T HA -0.184 4.163 4.350 -0.006 0.000 0.267 218 T C 1.233 175.814 174.700 -0.198 0.000 1.040 218 T CA 1.632 63.744 62.100 0.020 0.000 1.156 218 T CB -0.250 68.569 68.868 -0.082 0.000 0.863 218 T HN 0.426 nan 8.240 nan 0.000 0.430 219 F N 0.864 120.841 119.950 0.045 0.000 2.816 219 F HA 0.350 4.874 4.527 -0.005 0.000 0.302 219 F C 2.001 177.796 175.800 -0.008 0.000 1.178 219 F CA -0.022 57.985 58.000 0.012 0.000 1.421 219 F CB -0.205 38.804 39.000 0.014 0.000 1.114 219 F HN 0.158 nan 8.300 nan 0.000 0.573 220 A N -1.014 121.852 122.820 0.077 0.000 2.431 220 A HA 0.268 4.585 4.320 -0.006 0.000 0.239 220 A C 1.876 179.425 177.584 -0.059 0.000 1.230 220 A CA -0.059 51.993 52.037 0.026 0.000 0.928 220 A CB -0.334 18.683 19.000 0.029 0.000 1.006 220 A HN 0.334 nan 8.150 nan 0.000 0.520 221 L N -0.184 120.971 121.223 -0.113 0.000 2.017 221 L HA -0.168 4.169 4.340 -0.006 0.000 0.208 221 L C 2.420 179.173 176.870 -0.195 0.000 1.073 221 L CA 1.488 56.202 54.840 -0.210 0.000 0.745 221 L CB -0.370 41.501 42.059 -0.314 0.000 0.894 221 L HN 0.306 nan 8.230 nan 0.000 0.432 222 K N -0.220 120.088 120.400 -0.154 0.000 2.097 222 K HA -0.157 4.159 4.320 -0.006 0.000 0.206 222 K C 1.692 178.252 176.600 -0.067 0.000 1.049 222 K CA 1.298 57.515 56.287 -0.117 0.000 0.933 222 K CB -0.200 32.245 32.500 -0.092 0.000 0.717 222 K HN 0.330 nan 8.250 nan 0.000 0.442 223 D N 1.372 121.747 120.400 -0.042 0.000 2.097 223 D HA -0.173 4.463 4.640 -0.006 0.000 0.195 223 D C 1.849 178.147 176.300 -0.003 0.000 0.989 223 D CA 1.458 55.451 54.000 -0.013 0.000 0.827 223 D CB -0.013 40.789 40.800 0.003 0.000 0.966 223 D HN 0.389 nan 8.370 nan 0.000 0.456 224 K N 0.832 121.211 120.400 -0.034 0.000 2.217 224 K HA 0.135 4.452 4.320 -0.006 0.000 0.202 224 K C 2.090 178.745 176.600 0.092 0.000 1.051 224 K CA 1.121 57.412 56.287 0.007 0.000 0.952 224 K CB -0.064 32.325 32.500 -0.185 0.000 0.736 224 K HN -0.017 nan 8.250 nan 0.000 0.453 225 A N 2.264 125.076 122.820 -0.014 0.000 1.930 225 A HA -0.135 4.181 4.320 -0.006 0.000 0.217 225 A C 2.185 179.793 177.584 0.040 0.000 1.175 225 A CA 1.523 53.571 52.037 0.018 0.000 0.627 225 A CB -0.433 18.513 19.000 -0.090 0.000 0.815 225 A HN 0.404 nan 8.150 nan 0.000 0.443 226 K N -0.805 119.604 120.400 0.016 0.000 2.057 226 K HA -0.158 4.159 4.320 -0.006 0.000 0.207 226 K C 2.203 178.824 176.600 0.036 0.000 1.049 226 K CA 1.032 57.329 56.287 0.016 0.000 0.931 226 K CB -0.142 32.361 32.500 0.005 0.000 0.714 226 K HN 0.194 nan 8.250 nan 0.000 0.440 227 R N 0.330 120.867 120.500 0.062 0.000 2.081 227 R HA -0.073 4.263 4.340 -0.006 0.000 0.235 227 R C 2.273 178.607 176.300 0.058 0.000 1.131 227 R CA 1.363 57.504 56.100 0.068 0.000 0.960 227 R CB -0.815 29.548 30.300 0.105 0.000 0.856 227 R HN 0.345 nan 8.270 nan 0.000 0.436 228 A N 1.007 123.892 122.820 0.108 0.000 1.902 228 A HA -0.101 4.216 4.320 -0.006 0.000 0.217 228 A C 2.386 179.964 177.584 -0.010 0.000 1.181 228 A CA 1.900 53.950 52.037 0.021 0.000 0.623 228 A CB -0.578 18.497 19.000 0.125 0.000 0.818 228 A HN 0.352 nan 8.150 nan 0.000 0.443 229 A N -0.204 122.626 122.820 0.018 0.000 1.877 229 A HA -0.192 4.125 4.320 -0.006 0.000 0.216 229 A C 1.915 179.499 177.584 0.001 0.000 1.186 229 A CA 1.702 53.745 52.037 0.010 0.000 0.620 229 A CB -0.590 18.422 19.000 0.021 0.000 0.822 229 A HN 0.633 nan 8.150 nan 0.000 0.443 230 E N -0.299 119.903 120.200 0.004 0.000 2.118 230 E HA -0.133 4.214 4.350 -0.006 0.000 0.195 230 E C 1.653 178.246 176.600 -0.012 0.000 0.992 230 E CA 1.085 57.484 56.400 -0.001 0.000 0.804 230 E CB -0.252 29.451 29.700 0.005 0.000 0.741 230 E HN 0.622 nan 8.360 nan 0.000 0.458 231 L N -0.537 120.671 121.223 -0.025 0.000 2.554 231 L HA 0.091 4.427 4.340 -0.006 0.000 0.226 231 L C 1.230 178.072 176.870 -0.047 0.000 1.137 231 L CA 0.377 55.191 54.840 -0.043 0.000 0.863 231 L CB -0.033 41.981 42.059 -0.075 0.000 0.985 231 L HN 0.295 nan 8.230 nan 0.000 0.451 232 G N 0.430 109.206 108.800 -0.040 0.000 2.149 232 G HA2 -0.241 3.715 3.960 -0.006 0.000 0.235 232 G HA3 -0.241 3.715 3.960 -0.006 0.000 0.235 232 G C 0.394 175.261 174.900 -0.056 0.000 1.018 232 G CA -0.034 45.042 45.100 -0.039 0.000 0.728 232 G HN 0.492 nan 8.290 nan 0.000 0.508 233 A N -0.252 122.520 122.820 -0.080 0.000 2.531 233 A HA 0.463 4.780 4.320 -0.006 0.000 0.236 233 A C 1.349 178.884 177.584 -0.081 0.000 1.062 233 A CA 1.021 52.989 52.037 -0.114 0.000 0.760 233 A CB 0.339 19.249 19.000 -0.150 0.000 0.995 233 A HN 0.295 nan 8.150 nan 0.000 0.501 234 D N 0.270 120.622 120.400 -0.081 0.000 2.149 234 D HA 0.106 4.743 4.640 -0.006 0.000 0.206 234 D C 0.240 176.504 176.300 -0.060 0.000 0.967 234 D CA 1.510 55.473 54.000 -0.062 0.000 0.848 234 D CB 0.068 40.852 40.800 -0.026 0.000 0.998 234 D HN 0.269 nan 8.370 nan 0.000 0.474 235 V N 0.721 120.594 119.914 -0.069 0.000 3.012 235 V HA 0.305 4.421 4.120 -0.006 0.000 0.307 235 V C -0.803 175.258 176.094 -0.056 0.000 1.166 235 V CA -0.794 61.486 62.300 -0.033 0.000 0.974 235 V CB 3.000 34.786 31.823 -0.061 0.000 1.040 235 V HN -0.061 nan 8.190 nan 0.000 0.428 236 L N 4.119 125.344 121.223 0.004 0.000 2.287 236 L HA 0.549 4.885 4.340 -0.006 0.000 0.287 236 L C -0.638 176.258 176.870 0.043 0.000 1.022 236 L CA -0.604 54.248 54.840 0.019 0.000 0.814 236 L CB 1.559 43.628 42.059 0.016 0.000 1.217 236 L HN 0.483 nan 8.230 nan 0.000 0.420 237 L N 4.124 125.372 121.223 0.042 0.000 2.305 237 L HA 0.501 4.837 4.340 -0.006 0.000 0.281 237 L C -1.126 175.857 176.870 0.189 0.000 1.085 237 L CA 0.381 55.267 54.840 0.076 0.000 0.813 237 L CB 0.853 42.930 42.059 0.030 0.000 1.157 237 L HN 0.376 nan 8.230 nan 0.000 0.436 238 F N 4.255 124.205 119.950 0.002 0.000 2.562 238 F HA 0.442 4.966 4.527 -0.006 0.000 0.319 238 F C -0.082 175.753 175.800 0.058 0.000 1.154 238 F CA -0.978 57.010 58.000 -0.021 0.000 0.931 238 F CB 1.364 40.312 39.000 -0.087 0.000 1.198 238 F HN 0.598 nan 8.300 nan 0.000 0.444 239 N N 5.191 123.675 118.700 -0.359 0.000 3.254 239 N HA 0.064 4.800 4.740 -0.006 0.000 0.308 239 N C 1.422 176.629 175.510 -0.506 0.000 1.281 239 N CA -0.172 52.745 53.050 -0.221 0.000 1.212 239 N CB 0.722 39.197 38.487 -0.019 0.000 1.478 239 N HN 0.568 nan 8.380 nan 0.000 0.548 240 V N 0.619 120.074 119.914 -0.766 0.000 2.317 240 V HA -0.318 3.798 4.120 -0.006 0.000 0.251 240 V C 1.211 177.051 176.094 -0.422 0.000 1.065 240 V CA 1.994 63.850 62.300 -0.739 0.000 1.049 240 V CB -0.457 31.030 31.823 -0.559 0.000 0.651 240 V HN 0.481 nan 8.190 nan 0.000 0.450 241 F N 0.599 120.518 119.950 -0.051 0.000 2.546 241 F HA 0.153 4.677 4.527 -0.005 0.000 0.298 241 F C 2.165 178.034 175.800 0.115 0.000 1.120 241 F CA 1.005 59.066 58.000 0.102 0.000 1.456 241 F CB -0.745 38.399 39.000 0.239 0.000 1.088 241 F HN 0.271 nan 8.300 nan 0.000 0.572 242 A N -2.234 120.613 122.820 0.046 0.000 2.238 242 A HA 0.093 4.410 4.320 -0.006 0.000 0.210 242 A C 1.201 178.553 177.584 -0.387 0.000 1.179 242 A CA 0.515 52.398 52.037 -0.257 0.000 0.827 242 A CB -0.500 18.287 19.000 -0.355 0.000 0.856 242 A HN 0.414 nan 8.150 nan 0.000 0.488 243 Y N -0.910 119.313 120.300 -0.128 0.000 2.589 243 Y HA 0.434 4.980 4.550 -0.006 0.000 0.271 243 Y C 1.233 177.133 175.900 0.000 0.000 1.107 243 Y CA 0.320 58.383 58.100 -0.061 0.000 1.273 243 Y CB 0.731 39.178 38.460 -0.022 0.000 1.266 243 Y HN 0.398 nan 8.280 nan 0.000 0.504 244 G N -0.031 108.856 108.800 0.144 0.000 2.697 244 G HA2 -0.131 3.826 3.960 -0.006 0.000 0.684 244 G HA3 -0.131 3.826 3.960 -0.006 0.000 0.684 244 G C 0.028 174.953 174.900 0.043 0.000 1.274 244 G CA -0.516 44.654 45.100 0.116 0.000 0.806 244 G HN 0.140 nan 8.290 nan 0.000 0.644 245 L N 0.610 121.819 121.223 -0.024 0.000 2.079 245 L HA -0.071 4.266 4.340 -0.006 0.000 0.210 245 L C 2.545 179.410 176.870 -0.009 0.000 1.081 245 L CA 2.098 56.883 54.840 -0.092 0.000 0.752 245 L CB -0.223 41.768 42.059 -0.114 0.000 0.896 245 L HN 0.802 nan 8.230 nan 0.000 0.433 246 D N -0.322 120.103 120.400 0.041 0.000 2.178 246 D HA -0.154 4.483 4.640 -0.006 0.000 0.201 246 D C 2.054 178.358 176.300 0.008 0.000 0.980 246 D CA 0.819 54.845 54.000 0.043 0.000 0.842 246 D CB 0.239 41.079 40.800 0.067 0.000 0.948 246 D HN 0.048 nan 8.370 nan 0.000 0.472 247 V N 0.403 120.335 119.914 0.029 0.000 2.427 247 V HA -0.162 3.955 4.120 -0.006 0.000 0.248 247 V C 2.386 178.432 176.094 -0.079 0.000 1.051 247 V CA 1.288 63.578 62.300 -0.017 0.000 1.048 247 V CB -0.559 31.318 31.823 0.090 0.000 0.666 247 V HN 0.309 nan 8.190 nan 0.000 0.456 248 L N 0.353 121.597 121.223 0.036 0.000 2.017 248 L HA -0.218 4.118 4.340 -0.006 0.000 0.208 248 L C 2.464 179.273 176.870 -0.102 0.000 1.073 248 L CA 2.294 57.115 54.840 -0.032 0.000 0.745 248 L CB -0.892 41.197 42.059 0.049 0.000 0.894 248 L HN 0.394 nan 8.230 nan 0.000 0.432 249 Q N -0.796 118.964 119.800 -0.066 0.000 2.124 249 Q HA -0.211 4.125 4.340 -0.006 0.000 0.202 249 Q C 2.113 178.057 176.000 -0.093 0.000 0.977 249 Q CA 1.759 57.522 55.803 -0.066 0.000 0.850 249 Q CB -0.197 28.534 28.738 -0.010 0.000 0.901 249 Q HN 0.686 nan 8.270 nan 0.000 0.429 250 A N 0.644 123.402 122.820 -0.104 0.000 1.902 250 A HA -0.153 4.164 4.320 -0.006 0.000 0.217 250 A C 2.012 179.506 177.584 -0.150 0.000 1.181 250 A CA 1.172 53.137 52.037 -0.121 0.000 0.623 250 A CB -0.645 18.277 19.000 -0.130 0.000 0.818 250 A HN 0.445 nan 8.150 nan 0.000 0.443 251 L N -1.038 120.061 121.223 -0.206 0.000 2.093 251 L HA -0.158 4.179 4.340 -0.006 0.000 0.208 251 L C 2.721 179.500 176.870 -0.151 0.000 1.085 251 L CA 1.626 56.330 54.840 -0.227 0.000 0.755 251 L CB -0.411 41.424 42.059 -0.374 0.000 0.904 251 L HN 0.444 nan 8.230 nan 0.000 0.435 252 R N 0.923 121.344 120.500 -0.132 0.000 2.090 252 R HA -0.134 4.203 4.340 -0.006 0.000 0.228 252 R C 1.829 178.068 176.300 -0.101 0.000 1.110 252 R CA 1.480 57.520 56.100 -0.102 0.000 0.973 252 R CB -0.282 29.959 30.300 -0.098 0.000 0.869 252 R HN 0.364 nan 8.270 nan 0.000 0.440 253 E N 0.373 120.511 120.200 -0.102 0.000 2.435 253 E HA -0.052 4.295 4.350 -0.006 0.000 0.195 253 E C -0.331 176.219 176.600 -0.085 0.000 1.029 253 E CA 0.108 56.450 56.400 -0.096 0.000 0.865 253 E CB 0.011 29.651 29.700 -0.100 0.000 0.833 253 E HN 0.299 nan 8.360 nan 0.000 0.510 254 D N 1.587 121.937 120.400 -0.083 0.000 2.344 254 D HA -0.031 4.606 4.640 -0.006 0.000 0.253 254 D C 0.727 176.994 176.300 -0.055 0.000 1.255 254 D CA 0.096 54.055 54.000 -0.068 0.000 0.894 254 D CB 0.809 41.565 40.800 -0.073 0.000 1.067 254 D HN -0.078 nan 8.370 nan 0.000 0.492 255 E N 2.684 122.855 120.200 -0.049 0.000 2.333 255 E HA -0.140 4.206 4.350 -0.006 0.000 0.198 255 E C 0.933 177.519 176.600 -0.023 0.000 1.007 255 E CA 0.616 56.992 56.400 -0.039 0.000 0.845 255 E CB 0.245 29.922 29.700 -0.038 0.000 0.766 255 E HN 0.685 nan 8.360 nan 0.000 0.507 256 E N -0.238 119.949 120.200 -0.022 0.000 2.502 256 E HA 0.049 4.396 4.350 -0.006 0.000 0.194 256 E C 1.566 178.163 176.600 -0.006 0.000 1.062 256 E CA 0.025 56.418 56.400 -0.012 0.000 0.867 256 E CB 0.311 30.003 29.700 -0.013 0.000 0.888 256 E HN 0.268 nan 8.360 nan 0.000 0.510 257 I N 0.194 120.757 120.570 -0.011 0.000 3.649 257 I HA 0.098 4.264 4.170 -0.006 0.000 0.234 257 I C 0.977 177.115 176.117 0.035 0.000 1.053 257 I CA 0.245 61.545 61.300 -0.000 0.000 1.538 257 I CB -0.087 37.895 38.000 -0.030 0.000 1.445 257 I HN -0.094 nan 8.210 nan 0.000 0.464 258 A N 1.567 124.411 122.820 0.040 0.000 2.560 258 A HA -0.122 4.195 4.320 -0.006 0.000 0.299 258 A C -0.207 177.537 177.584 0.266 0.000 1.484 258 A CA 0.298 52.398 52.037 0.106 0.000 0.749 258 A CB -2.199 16.844 19.000 0.072 0.000 1.072 258 A HN 0.184 nan 8.150 nan 0.000 0.426 259 V N 0.163 120.216 119.914 0.231 0.000 2.680 259 V HA 0.531 4.648 4.120 -0.006 0.000 0.309 259 V C -2.073 174.184 176.094 0.271 0.000 1.052 259 V CA -1.861 60.555 62.300 0.193 0.000 0.908 259 V CB 2.005 33.870 31.823 0.070 0.000 1.001 259 V HN 0.350 nan 8.190 nan 0.000 0.431 260 P HA 0.213 nan 4.420 nan 0.000 0.267 260 P C -0.845 176.604 177.300 0.249 0.000 1.200 260 P CA 0.349 63.599 63.100 0.248 0.000 0.772 260 P CB 0.384 32.136 31.700 0.088 0.000 0.855 261 I N 2.801 123.546 120.570 0.290 0.000 2.436 261 I HA 0.403 4.570 4.170 -0.006 0.000 0.289 261 I C 0.114 176.446 176.117 0.359 0.000 1.010 261 I CA -0.644 60.791 61.300 0.224 0.000 1.098 261 I CB 1.569 39.637 38.000 0.113 0.000 1.266 261 I HN 0.235 nan 8.210 nan 0.000 0.434 262 M N 6.446 126.202 119.600 0.259 0.000 2.066 262 M HA 0.623 5.099 4.480 -0.006 0.000 0.340 262 M C -0.562 175.850 176.300 0.185 0.000 1.053 262 M CA -0.412 55.014 55.300 0.210 0.000 0.983 262 M CB 1.067 33.566 32.600 -0.169 0.000 1.520 262 M HN 0.703 nan 8.290 nan 0.000 0.428 263 A N 4.541 127.482 122.820 0.202 0.000 2.328 263 A HA 0.326 4.643 4.320 -0.006 0.000 0.284 263 A C -0.872 176.809 177.584 0.163 0.000 1.160 263 A CA -0.394 51.737 52.037 0.156 0.000 0.818 263 A CB 0.195 19.249 19.000 0.089 0.000 1.087 263 A HN 0.908 nan 8.150 nan 0.000 0.504 264 H N 4.338 123.459 119.070 0.085 0.000 2.463 264 H HA 0.355 4.907 4.556 -0.005 0.000 0.332 264 H C -1.958 173.509 175.328 0.232 0.000 1.127 264 H CA -1.759 54.357 56.048 0.114 0.000 1.238 264 H CB 2.199 32.004 29.762 0.071 0.000 1.478 264 H HN 0.433 nan 8.280 nan 0.000 0.499 265 P HA 0.050 nan 4.420 nan 0.000 0.245 265 P C -0.001 177.477 177.300 0.297 0.000 1.212 265 P CA -0.019 63.200 63.100 0.198 0.000 0.774 265 P CB -0.030 31.673 31.700 0.006 0.000 0.999 266 A N 0.131 123.304 122.820 0.588 0.000 2.584 266 A HA 0.070 4.386 4.320 -0.006 0.000 0.239 266 A C 0.606 178.456 177.584 0.444 0.000 1.043 266 A CA 0.253 52.562 52.037 0.454 0.000 0.756 266 A CB -1.336 17.879 19.000 0.358 0.000 0.963 266 A HN 0.291 nan 8.150 nan 0.000 0.511 267 F N 1.274 121.306 119.950 0.137 0.000 2.590 267 F HA -0.348 4.176 4.527 -0.005 0.000 0.471 267 F C 1.971 177.786 175.800 0.026 0.000 0.551 267 F CA 2.161 60.223 58.000 0.104 0.000 1.228 267 F CB -1.743 37.351 39.000 0.157 0.000 1.862 267 F HN 0.863 nan 8.300 nan 0.000 0.271 268 S N -0.255 115.333 115.700 -0.187 0.000 2.442 268 S HA 0.018 4.485 4.470 -0.006 0.000 0.236 268 S C 2.175 176.621 174.600 -0.256 0.000 1.007 268 S CA 1.130 59.036 58.200 -0.490 0.000 0.965 268 S CB -1.005 61.640 63.200 -0.925 0.000 0.773 268 S HN 0.861 nan 8.310 nan 0.000 0.504 269 G N 0.769 109.446 108.800 -0.206 0.000 2.559 269 G HA2 0.232 4.188 3.960 -0.006 0.000 0.216 269 G HA3 0.232 4.188 3.960 -0.006 0.000 0.216 269 G C 1.377 176.140 174.900 -0.229 0.000 1.126 269 G CA 0.419 45.422 45.100 -0.163 0.000 0.778 269 G HN 0.752 nan 8.290 nan 0.000 0.543 270 A N -0.364 122.207 122.820 -0.415 0.000 2.119 270 A HA 0.352 4.668 4.320 -0.006 0.000 0.216 270 A C 2.198 179.595 177.584 -0.312 0.000 1.152 270 A CA 1.244 53.009 52.037 -0.454 0.000 0.708 270 A CB 0.098 18.516 19.000 -0.971 0.000 0.805 270 A HN 0.238 nan 8.150 nan 0.000 0.460 271 V N -0.900 118.834 119.914 -0.301 0.000 3.307 271 V HA -0.058 4.059 4.120 -0.006 0.000 0.244 271 V C 2.610 178.552 176.094 -0.253 0.000 1.196 271 V CA 1.831 63.948 62.300 -0.305 0.000 1.132 271 V CB 0.100 31.590 31.823 -0.555 0.000 0.875 271 V HN 0.734 nan 8.190 nan 0.000 0.468 272 T N -1.290 113.148 114.554 -0.194 0.000 3.035 272 T HA 0.053 4.400 4.350 -0.006 0.000 0.259 272 T C 0.222 174.865 174.700 -0.095 0.000 1.078 272 T CA 0.765 62.788 62.100 -0.128 0.000 1.132 272 T CB -0.981 67.848 68.868 -0.064 0.000 0.900 272 T HN 0.443 nan 8.240 nan 0.000 0.480 273 P HA 0.069 nan 4.420 nan 0.000 0.219 273 P C 0.961 178.200 177.300 -0.101 0.000 1.150 273 P CA 0.574 63.625 63.100 -0.082 0.000 0.814 273 P CB -0.154 31.504 31.700 -0.070 0.000 0.787 274 S N 0.103 115.759 115.700 -0.073 0.000 2.568 274 S HA -0.057 4.409 4.470 -0.006 0.000 0.282 274 S C 1.329 175.769 174.600 -0.267 0.000 1.338 274 S CA -0.228 57.911 58.200 -0.101 0.000 1.045 274 S CB 0.389 63.655 63.200 0.111 0.000 0.873 274 S HN 0.213 nan 8.310 nan 0.000 0.516 275 E N 2.164 122.009 120.200 -0.592 0.000 2.371 275 E HA -0.006 4.341 4.350 -0.006 0.000 0.194 275 E C 0.315 176.414 176.600 -0.835 0.000 1.012 275 E CA 0.782 56.705 56.400 -0.796 0.000 0.860 275 E CB 0.023 29.030 29.700 -1.155 0.000 0.811 275 E HN 0.822 nan 8.360 nan 0.000 0.502 276 F N -1.374 118.376 119.950 -0.334 0.000 2.727 276 F HA 0.289 4.812 4.527 -0.007 0.000 0.302 276 F C -0.008 175.435 175.800 -0.595 0.000 1.107 276 F CA -0.418 57.217 58.000 -0.609 0.000 1.277 276 F CB 0.248 38.642 39.000 -1.009 0.000 1.079 276 F HN -0.124 nan 8.300 nan 0.000 0.594 277 Y N -0.553 119.865 120.300 0.196 0.000 2.693 277 Y HA 0.729 5.277 4.550 -0.003 0.000 0.331 277 Y C 0.934 176.900 175.900 0.110 0.000 1.092 277 Y CA -1.500 56.713 58.100 0.188 0.000 1.131 277 Y CB 0.405 38.963 38.460 0.163 0.000 1.318 277 Y HN 0.083 nan 8.280 nan 0.000 0.510 278 G N -0.351 108.664 108.800 0.358 0.000 2.593 278 G HA2 -0.047 3.909 3.960 -0.006 0.000 0.237 278 G HA3 -0.047 3.909 3.960 -0.006 0.000 0.237 278 G C -1.727 173.155 174.900 -0.031 0.000 1.312 278 G CA -0.445 44.743 45.100 0.147 0.000 0.896 278 G HN 0.863 nan 8.290 nan 0.000 0.574 279 V N 0.605 120.377 119.914 -0.236 0.000 2.588 279 V HA 0.741 4.857 4.120 -0.006 0.000 0.304 279 V C 0.912 176.891 176.094 -0.191 0.000 1.042 279 V CA -0.114 61.992 62.300 -0.322 0.000 0.877 279 V CB 1.197 32.718 31.823 -0.503 0.000 0.996 279 V HN 2.193 nan 8.190 nan 0.000 0.425 280 A N 5.768 128.508 122.820 -0.133 0.000 2.498 280 A HA 0.426 4.742 4.320 -0.006 0.000 0.239 280 A C -1.421 176.164 177.584 0.002 0.000 1.068 280 A CA -0.627 51.367 52.037 -0.073 0.000 0.766 280 A CB -0.050 18.902 19.000 -0.080 0.000 1.003 280 A HN 0.729 nan 8.150 nan 0.000 0.497 281 P HA -0.209 nan 4.420 nan 0.000 0.216 281 P C 1.822 179.138 177.300 0.025 0.000 1.153 281 P CA 2.145 65.266 63.100 0.034 0.000 0.858 281 P CB 0.000 31.689 31.700 -0.019 0.000 0.789 282 S N -1.136 114.553 115.700 -0.019 0.000 2.400 282 S HA -0.174 4.293 4.470 -0.006 0.000 0.232 282 S C 1.841 176.455 174.600 0.023 0.000 1.025 282 S CA 1.260 59.441 58.200 -0.031 0.000 0.993 282 S CB -1.432 61.740 63.200 -0.046 0.000 0.808 282 S HN 0.036 nan 8.310 nan 0.000 0.478 283 L N 0.275 121.536 121.223 0.063 0.000 2.130 283 L HA 0.338 4.675 4.340 -0.006 0.000 0.200 283 L C 2.272 179.298 176.870 0.260 0.000 1.075 283 L CA 1.219 56.131 54.840 0.120 0.000 0.768 283 L CB -0.929 41.175 42.059 0.074 0.000 0.933 283 L HN 0.512 nan 8.230 nan 0.000 0.451 284 W N -0.397 120.926 121.300 0.038 0.000 2.381 284 W HA -0.171 4.485 4.660 -0.006 0.000 0.301 284 W C 1.908 178.576 176.519 0.248 0.000 1.205 284 W CA 1.268 58.690 57.345 0.129 0.000 1.285 284 W CB 0.253 29.738 29.460 0.042 0.000 1.133 284 W HN 0.171 nan 8.180 nan 0.000 0.521 285 L N -1.047 120.319 121.223 0.239 0.000 2.408 285 L HA 0.179 4.516 4.340 -0.006 0.000 0.215 285 L C 2.307 179.232 176.870 0.092 0.000 1.081 285 L CA 0.804 55.752 54.840 0.181 0.000 0.840 285 L CB -0.596 41.535 42.059 0.119 0.000 1.002 285 L HN -0.075 nan 8.230 nan 0.000 0.468 286 G N -0.337 108.494 108.800 0.052 0.000 2.680 286 G HA2 -0.090 3.867 3.960 -0.006 0.000 0.224 286 G HA3 -0.090 3.867 3.960 -0.006 0.000 0.224 286 G C 1.316 176.247 174.900 0.051 0.000 1.454 286 G CA 0.196 45.307 45.100 0.020 0.000 0.900 286 G HN 0.023 nan 8.290 nan 0.000 0.570 287 K N -0.035 120.408 120.400 0.072 0.000 2.020 287 K HA -0.034 4.282 4.320 -0.006 0.000 0.212 287 K C 2.570 179.236 176.600 0.110 0.000 1.050 287 K CA 1.406 57.762 56.287 0.115 0.000 0.929 287 K CB -0.375 32.205 32.500 0.134 0.000 0.714 287 K HN 0.289 nan 8.250 nan 0.000 0.443 288 L N 0.782 122.067 121.223 0.105 0.000 2.093 288 L HA -0.158 4.179 4.340 -0.006 0.000 0.208 288 L C 2.434 179.260 176.870 -0.074 0.000 1.085 288 L CA 0.797 55.660 54.840 0.038 0.000 0.755 288 L CB -0.322 41.784 42.059 0.078 0.000 0.904 288 L HN 0.264 nan 8.230 nan 0.000 0.435 289 L N -0.492 120.692 121.223 -0.065 0.000 2.093 289 L HA -0.187 4.149 4.340 -0.006 0.000 0.208 289 L C 2.838 179.654 176.870 -0.091 0.000 1.085 289 L CA 1.077 55.858 54.840 -0.099 0.000 0.755 289 L CB -0.494 41.533 42.059 -0.053 0.000 0.904 289 L HN 0.293 nan 8.230 nan 0.000 0.435 290 R N 0.875 121.337 120.500 -0.064 0.000 2.073 290 R HA -0.206 4.131 4.340 -0.006 0.000 0.234 290 R C 2.426 178.548 176.300 -0.296 0.000 1.134 290 R CA 1.547 57.591 56.100 -0.093 0.000 0.952 290 R CB -0.350 29.949 30.300 -0.002 0.000 0.850 290 R HN 0.304 nan 8.270 nan 0.000 0.433 291 L N 0.440 121.435 121.223 -0.380 0.000 2.079 291 L HA -0.100 4.237 4.340 -0.006 0.000 0.210 291 L C 2.282 178.827 176.870 -0.541 0.000 1.081 291 L CA 1.805 56.167 54.840 -0.797 0.000 0.752 291 L CB -0.339 41.439 42.059 -0.468 0.000 0.896 291 L HN 0.324 nan 8.230 nan 0.000 0.433 292 A N -0.830 121.814 122.820 -0.294 0.000 2.066 292 A HA 0.169 4.486 4.320 -0.006 0.000 0.218 292 A C 1.706 179.199 177.584 -0.152 0.000 1.157 292 A CA 1.081 53.014 52.037 -0.174 0.000 0.670 292 A CB -0.470 18.449 19.000 -0.136 0.000 0.804 292 A HN 0.759 nan 8.150 nan 0.000 0.453 293 G N -2.907 105.790 108.800 -0.171 0.000 2.200 293 G HA2 0.274 4.230 3.960 -0.006 0.000 0.145 293 G HA3 0.274 4.230 3.960 -0.006 0.000 0.145 293 G C 0.195 175.068 174.900 -0.046 0.000 1.021 293 G CA -0.006 45.024 45.100 -0.117 0.000 0.720 293 G HN 1.332 nan 8.290 nan 0.000 0.494 294 A N 0.443 123.247 122.820 -0.026 0.000 2.409 294 A HA 0.580 4.897 4.320 -0.006 0.000 0.267 294 A C 1.043 178.669 177.584 0.070 0.000 1.127 294 A CA 0.560 52.630 52.037 0.056 0.000 0.795 294 A CB 0.351 19.391 19.000 0.068 0.000 1.061 294 A HN 0.172 nan 8.150 nan 0.000 0.502 295 D N 1.161 121.633 120.400 0.120 0.000 2.249 295 D HA 0.101 4.738 4.640 -0.006 0.000 0.205 295 D C -0.450 175.779 176.300 -0.120 0.000 0.962 295 D CA 1.403 55.392 54.000 -0.018 0.000 0.860 295 D CB 0.155 40.928 40.800 -0.044 0.000 0.955 295 D HN 0.571 nan 8.370 nan 0.000 0.505 296 F N -0.073 119.969 119.950 0.154 0.000 2.565 296 F HA 0.433 4.956 4.527 -0.006 0.000 0.313 296 F C -0.283 175.594 175.800 0.128 0.000 1.091 296 F CA -1.103 56.996 58.000 0.164 0.000 0.915 296 F CB 2.376 41.433 39.000 0.096 0.000 1.208 296 F HN -0.457 nan 8.300 nan 0.000 0.453 297 V N 4.018 124.140 119.914 0.346 0.000 2.524 297 V HA 0.376 4.493 4.120 -0.006 0.000 0.297 297 V C -0.828 175.420 176.094 0.257 0.000 1.035 297 V CA -0.576 61.889 62.300 0.274 0.000 0.867 297 V CB 1.696 33.678 31.823 0.264 0.000 1.004 297 V HN 0.470 nan 8.190 nan 0.000 0.426 298 L N 6.550 127.844 121.223 0.118 0.000 2.334 298 L HA 0.747 5.083 4.340 -0.006 0.000 0.277 298 L C -0.398 176.488 176.870 0.027 0.000 1.075 298 L CA 0.239 55.033 54.840 -0.078 0.000 0.804 298 L CB 0.937 42.876 42.059 -0.201 0.000 1.174 298 L HN 0.666 nan 8.230 nan 0.000 0.438 299 F N 0.906 120.799 119.950 -0.095 0.000 2.668 299 F HA 0.702 5.226 4.527 -0.005 0.000 0.309 299 F C -2.908 172.839 175.800 -0.089 0.000 1.117 299 F CA -2.941 55.014 58.000 -0.075 0.000 0.951 299 F CB 0.686 39.667 39.000 -0.030 0.000 1.323 299 F HN 0.194 nan 8.300 nan 0.000 0.451 300 P HA 0.121 nan 4.420 nan 0.000 0.263 300 P C -0.271 177.068 177.300 0.065 0.000 1.195 300 P CA 0.199 63.324 63.100 0.042 0.000 0.762 300 P CB 0.839 32.578 31.700 0.065 0.000 0.799 301 S N 5.100 120.747 115.700 -0.089 0.000 2.634 301 S HA 0.364 4.831 4.470 -0.006 0.000 0.261 301 S C -1.859 172.636 174.600 -0.175 0.000 1.271 301 S CA -1.032 57.077 58.200 -0.151 0.000 0.985 301 S CB 0.235 63.342 63.200 -0.156 0.000 0.968 301 S HN 0.328 nan 8.310 nan 0.000 0.568 302 P HA 0.265 nan 4.420 nan 0.000 0.248 302 P C -0.680 176.409 177.300 -0.350 0.000 1.708 302 P CA -0.054 62.845 63.100 -0.336 0.000 1.062 302 P CB -0.417 31.122 31.700 -0.268 0.000 1.562 303 Y N -0.926 119.429 120.300 0.091 0.000 2.664 303 Y HA 0.358 4.905 4.550 -0.006 0.000 0.278 303 Y C 1.982 177.920 175.900 0.063 0.000 1.130 303 Y CA 0.053 58.197 58.100 0.073 0.000 1.260 303 Y CB -0.876 37.623 38.460 0.065 0.000 1.369 303 Y HN -0.063 nan 8.280 nan 0.000 0.499 304 G N -0.219 108.698 108.800 0.194 0.000 2.508 304 G HA2 0.264 4.221 3.960 -0.006 0.000 0.278 304 G HA3 0.264 4.221 3.960 -0.006 0.000 0.278 304 G C 0.992 175.942 174.900 0.083 0.000 1.389 304 G CA 0.225 45.403 45.100 0.130 0.000 1.050 304 G HN 0.158 nan 8.290 nan 0.000 0.522 305 S N -1.359 114.379 115.700 0.065 0.000 2.356 305 S HA -0.089 4.378 4.470 -0.006 0.000 0.223 305 S C 1.218 175.841 174.600 0.037 0.000 1.032 305 S CA 0.674 58.903 58.200 0.048 0.000 1.005 305 S CB -0.143 63.083 63.200 0.043 0.000 0.867 305 S HN 0.278 nan 8.310 nan 0.000 0.449 306 V N 2.129 122.064 119.914 0.035 0.000 2.339 306 V HA 0.705 4.821 4.120 -0.006 0.000 0.261 306 V C 0.198 176.305 176.094 0.022 0.000 1.058 306 V CA -0.234 62.081 62.300 0.026 0.000 0.897 306 V CB -0.200 31.640 31.823 0.027 0.000 1.052 306 V HN 0.455 nan 8.190 nan 0.000 0.480 307 A N 5.533 128.363 122.820 0.017 0.000 2.535 307 A HA 0.988 5.305 4.320 -0.006 0.000 0.296 307 A C -1.354 176.236 177.584 0.009 0.000 1.248 307 A CA -0.692 51.351 52.037 0.010 0.000 0.686 307 A CB 1.558 20.562 19.000 0.007 0.000 1.315 307 A HN 0.564 nan 8.150 nan 0.000 0.460 308 L N 0.102 121.329 121.223 0.007 0.000 2.393 308 L HA 0.441 4.778 4.340 -0.006 0.000 0.260 308 L C -0.131 176.735 176.870 -0.008 0.000 1.002 308 L CA -0.818 54.027 54.840 0.009 0.000 0.818 308 L CB 1.898 43.983 42.059 0.044 0.000 1.369 308 L HN 0.846 nan 8.230 nan 0.000 0.412 309 E N 1.976 122.166 120.200 -0.017 0.000 2.442 309 E HA -0.052 4.295 4.350 -0.006 0.000 0.262 309 E C 0.843 177.430 176.600 -0.022 0.000 1.004 309 E CA 0.281 56.667 56.400 -0.022 0.000 0.928 309 E CB 1.036 30.718 29.700 -0.031 0.000 0.937 309 E HN 0.540 nan 8.360 nan 0.000 0.446 310 R N 3.374 123.858 120.500 -0.027 0.000 2.112 310 R HA -0.212 4.125 4.340 -0.006 0.000 0.242 310 R C 1.568 177.845 176.300 -0.040 0.000 1.137 310 R CA 2.070 58.148 56.100 -0.037 0.000 0.944 310 R CB 0.039 30.318 30.300 -0.034 0.000 0.857 310 R HN 0.522 nan 8.270 nan 0.000 0.435 311 E N 0.234 120.410 120.200 -0.040 0.000 2.204 311 E HA -0.194 4.152 4.350 -0.006 0.000 0.195 311 E C 2.055 178.629 176.600 -0.044 0.000 0.990 311 E CA 0.917 57.289 56.400 -0.045 0.000 0.821 311 E CB -0.058 29.617 29.700 -0.042 0.000 0.750 311 E HN 0.509 nan 8.360 nan 0.000 0.477 312 Q N 0.113 119.891 119.800 -0.038 0.000 2.016 312 Q HA -0.057 4.279 4.340 -0.006 0.000 0.200 312 Q C 2.216 178.185 176.000 -0.051 0.000 0.978 312 Q CA 1.336 57.112 55.803 -0.045 0.000 0.833 312 Q CB -0.273 28.443 28.738 -0.037 0.000 0.895 312 Q HN 0.230 nan 8.270 nan 0.000 0.427 313 A N 1.105 123.930 122.820 0.008 0.000 1.902 313 A HA -0.146 4.171 4.320 -0.006 0.000 0.217 313 A C 2.219 179.867 177.584 0.107 0.000 1.181 313 A CA 1.117 53.212 52.037 0.097 0.000 0.623 313 A CB -0.758 18.439 19.000 0.328 0.000 0.818 313 A HN 0.291 nan 8.150 nan 0.000 0.443 314 L N -0.769 120.482 121.223 0.046 0.000 2.083 314 L HA -0.113 4.223 4.340 -0.006 0.000 0.209 314 L C 2.791 179.649 176.870 -0.020 0.000 1.083 314 L CA 0.970 55.801 54.840 -0.014 0.000 0.752 314 L CB -0.787 41.202 42.059 -0.117 0.000 0.899 314 L HN 0.501 nan 8.230 nan 0.000 0.433 315 G N 0.306 109.074 108.800 -0.053 0.000 2.422 315 G HA2 -0.194 3.762 3.960 -0.006 0.000 0.218 315 G HA3 -0.194 3.762 3.960 -0.006 0.000 0.218 315 G C 1.591 176.436 174.900 -0.092 0.000 1.146 315 G CA 0.537 45.599 45.100 -0.063 0.000 0.769 315 G HN 0.271 nan 8.290 nan 0.000 0.547 316 I N 1.258 121.716 120.570 -0.188 0.000 2.202 316 I HA -0.142 4.025 4.170 -0.006 0.000 0.242 316 I C 3.298 179.283 176.117 -0.221 0.000 1.091 316 I CA 0.970 62.084 61.300 -0.311 0.000 1.368 316 I CB -0.264 37.279 38.000 -0.762 0.000 1.058 316 I HN 0.233 nan 8.210 nan 0.000 0.410 317 A N 0.854 123.594 122.820 -0.134 0.000 1.940 317 A HA -0.205 4.112 4.320 -0.006 0.000 0.219 317 A C 2.410 180.046 177.584 0.087 0.000 1.176 317 A CA 1.478 53.584 52.037 0.116 0.000 0.631 317 A CB -0.571 18.706 19.000 0.461 0.000 0.814 317 A HN 0.317 nan 8.150 nan 0.000 0.446 318 R N -0.714 119.811 120.500 0.042 0.000 2.081 318 R HA -0.078 4.259 4.340 -0.006 0.000 0.235 318 R C 2.485 178.799 176.300 0.023 0.000 1.131 318 R CA 1.208 57.325 56.100 0.028 0.000 0.960 318 R CB -0.475 29.827 30.300 0.003 0.000 0.856 318 R HN 0.517 nan 8.270 nan 0.000 0.436 319 A N 1.175 124.000 122.820 0.009 0.000 1.972 319 A HA -0.096 4.220 4.320 -0.006 0.000 0.219 319 A C 2.149 179.763 177.584 0.050 0.000 1.169 319 A CA 1.073 53.126 52.037 0.026 0.000 0.635 319 A CB -0.407 18.601 19.000 0.013 0.000 0.810 319 A HN 0.172 nan 8.150 nan 0.000 0.446 320 L N -0.474 120.774 121.223 0.042 0.000 2.217 320 L HA -0.075 4.262 4.340 -0.006 0.000 0.211 320 L C 2.480 179.381 176.870 0.051 0.000 1.107 320 L CA 1.644 56.519 54.840 0.059 0.000 0.783 320 L CB -0.352 41.756 42.059 0.082 0.000 0.919 320 L HN 0.636 nan 8.230 nan 0.000 0.442 321 T N -5.863 108.718 114.554 0.046 0.000 3.010 321 T HA 0.040 4.387 4.350 -0.006 0.000 0.257 321 T C 0.636 175.349 174.700 0.021 0.000 1.020 321 T CA -0.483 61.631 62.100 0.022 0.000 0.938 321 T CB -0.089 68.793 68.868 0.024 0.000 1.049 321 T HN -0.021 nan 8.240 nan 0.000 0.522 322 D N 3.980 124.400 120.400 0.033 0.000 2.502 322 D HA -0.053 4.584 4.640 -0.006 0.000 0.249 322 D C 0.861 177.174 176.300 0.022 0.000 1.188 322 D CA 0.214 54.230 54.000 0.026 0.000 0.890 322 D CB 0.687 41.506 40.800 0.032 0.000 1.140 322 D HN 0.465 nan 8.370 nan 0.000 0.505 323 D N 2.802 123.206 120.400 0.006 0.000 2.363 323 D HA -0.147 4.490 4.640 -0.006 0.000 0.226 323 D C 0.751 177.045 176.300 -0.009 0.000 1.020 323 D CA 0.388 54.386 54.000 -0.003 0.000 0.892 323 D CB 0.173 40.968 40.800 -0.009 0.000 0.900 323 D HN 0.325 nan 8.370 nan 0.000 0.531 324 Q N 0.110 119.907 119.800 -0.005 0.000 2.451 324 Q HA 0.080 4.417 4.340 -0.006 0.000 0.206 324 Q C 0.157 176.139 176.000 -0.029 0.000 0.947 324 Q CA 0.430 56.224 55.803 -0.015 0.000 0.937 324 Q CB 0.390 29.123 28.738 -0.008 0.000 1.025 324 Q HN 0.445 nan 8.270 nan 0.000 0.511 325 E N 1.402 121.587 120.200 -0.025 0.000 2.277 325 E HA 0.146 4.493 4.350 -0.006 0.000 0.274 325 E C -1.803 174.674 176.600 -0.204 0.000 1.022 325 E CA -2.011 54.340 56.400 -0.081 0.000 0.853 325 E CB 0.979 30.714 29.700 0.059 0.000 1.086 325 E HN -0.050 nan 8.360 nan 0.000 0.397 326 P HA 0.115 nan 4.420 nan 0.000 0.258 326 P C -0.720 176.280 177.300 -0.501 0.000 1.403 326 P CA 0.286 63.101 63.100 -0.475 0.000 0.826 326 P CB -0.113 31.279 31.700 -0.514 0.000 1.414 327 F N 0.328 120.287 119.950 0.016 0.000 2.593 327 F HA 0.616 5.140 4.527 -0.006 0.000 0.320 327 F C 0.806 176.596 175.800 -0.017 0.000 1.060 327 F CA -1.922 56.077 58.000 -0.000 0.000 0.940 327 F CB 0.574 39.581 39.000 0.012 0.000 1.268 327 F HN -0.173 nan 8.300 nan 0.000 0.475 328 A N 1.642 124.568 122.820 0.177 0.000 2.406 328 A HA 0.479 4.796 4.320 -0.006 0.000 0.243 328 A C 0.315 177.931 177.584 0.052 0.000 1.082 328 A CA -0.500 51.573 52.037 0.061 0.000 0.786 328 A CB 0.176 19.184 19.000 0.014 0.000 1.029 328 A HN 0.810 nan 8.150 nan 0.000 0.495 329 R N 0.098 120.589 120.500 -0.014 0.000 2.490 329 R HA 0.460 4.797 4.340 -0.006 0.000 0.280 329 R C 0.121 176.371 176.300 -0.083 0.000 1.077 329 R CA 0.263 56.339 56.100 -0.041 0.000 1.065 329 R CB 0.900 31.142 30.300 -0.096 0.000 1.003 329 R HN 0.781 nan 8.270 nan 0.000 0.470 330 A N 3.015 125.810 122.820 -0.041 0.000 2.303 330 A HA 0.386 4.702 4.320 -0.006 0.000 0.317 330 A C -0.698 176.882 177.584 -0.006 0.000 1.149 330 A CA -0.590 51.433 52.037 -0.023 0.000 0.822 330 A CB 0.428 19.455 19.000 0.045 0.000 1.131 330 A HN 0.690 nan 8.150 nan 0.000 0.493 331 F N 2.477 122.396 119.950 -0.052 0.000 2.506 331 F HA 0.291 4.814 4.527 -0.006 0.000 0.371 331 F C -1.886 173.984 175.800 0.116 0.000 1.078 331 F CA -1.288 56.714 58.000 0.004 0.000 1.195 331 F CB 1.192 40.159 39.000 -0.055 0.000 1.099 331 F HN 0.317 nan 8.300 nan 0.000 0.548 332 P HA 0.156 nan 4.420 nan 0.000 0.286 332 P C -1.087 176.304 177.300 0.152 0.000 1.269 332 P CA -0.155 63.178 63.100 0.389 0.000 0.787 332 P CB 1.330 33.264 31.700 0.389 0.000 0.920 333 V N 5.655 125.514 119.914 -0.091 0.000 2.315 333 V HA 0.239 4.355 4.120 -0.006 0.000 0.265 333 V C -2.174 173.387 176.094 -0.888 0.000 1.019 333 V CA -1.975 60.106 62.300 -0.366 0.000 0.824 333 V CB 1.097 32.808 31.823 -0.188 0.000 1.072 333 V HN 0.505 nan 8.190 nan 0.000 0.448 334 P HA 0.215 nan 4.420 nan 0.000 0.267 334 P C -0.201 176.741 177.300 -0.597 0.000 1.209 334 P CA 0.611 62.981 63.100 -1.216 0.000 0.763 334 P CB 1.157 32.258 31.700 -0.997 0.000 0.816 335 S N 1.645 117.058 115.700 -0.477 0.000 2.671 335 S HA 0.825 5.292 4.470 -0.006 0.000 0.299 335 S C -0.697 173.824 174.600 -0.132 0.000 1.116 335 S CA -0.151 57.896 58.200 -0.256 0.000 0.912 335 S CB 1.819 64.869 63.200 -0.250 0.000 1.130 335 S HN 0.750 nan 8.310 nan 0.000 0.501 336 A N -0.283 122.494 122.820 -0.072 0.000 2.435 336 A HA 0.423 4.740 4.320 -0.006 0.000 0.686 336 A C 0.969 178.567 177.584 0.024 0.000 0.138 336 A CA 0.206 52.233 52.037 -0.017 0.000 0.026 336 A CB -1.599 17.396 19.000 -0.009 0.000 3.973 336 A HN 2.540 nan 8.150 nan 0.000 0.548 337 G N 0.728 109.542 108.800 0.023 0.000 2.212 337 G HA2 -0.132 3.825 3.960 -0.006 0.000 0.266 337 G HA3 -0.132 3.825 3.960 -0.006 0.000 0.266 337 G C 0.366 175.314 174.900 0.079 0.000 0.978 337 G CA 0.372 45.502 45.100 0.050 0.000 0.632 337 G HN 2.044 nan 8.290 nan 0.000 0.537 338 I N 2.160 122.757 120.570 0.046 0.000 2.775 338 I HA 0.319 4.486 4.170 -0.006 0.000 0.290 338 I C 0.955 177.137 176.117 0.108 0.000 1.203 338 I CA 0.767 62.092 61.300 0.041 0.000 1.433 338 I CB -0.722 37.276 38.000 -0.004 0.000 1.354 338 I HN 0.634 nan 8.210 nan 0.000 0.579 339 H N 4.898 123.985 119.070 0.028 0.000 3.008 339 H HA 0.426 4.978 4.556 -0.006 0.000 0.354 339 H C -2.682 172.515 175.328 -0.218 0.000 1.252 339 H CA -1.696 54.255 56.048 -0.161 0.000 1.117 339 H CB 0.812 30.282 29.762 -0.487 0.000 1.857 339 H HN 0.107 nan 8.280 nan 0.000 0.547 340 P HA -0.152 nan 4.420 nan 0.000 0.217 340 P C 1.604 178.778 177.300 -0.211 0.000 1.151 340 P CA 2.599 65.351 63.100 -0.580 0.000 0.849 340 P CB -0.178 31.217 31.700 -0.508 0.000 0.787 341 G N -1.183 107.590 108.800 -0.045 0.000 2.535 341 G HA2 -0.170 3.786 3.960 -0.006 0.000 0.218 341 G HA3 -0.170 3.786 3.960 -0.006 0.000 0.218 341 G C 1.264 176.020 174.900 -0.240 0.000 1.122 341 G CA 0.244 45.334 45.100 -0.016 0.000 0.769 341 G HN 0.278 nan 8.290 nan 0.000 0.549 342 L N 0.048 120.955 121.223 -0.525 0.000 2.554 342 L HA 0.129 4.466 4.340 -0.006 0.000 0.225 342 L C 2.555 179.261 176.870 -0.274 0.000 1.104 342 L CA -0.218 54.336 54.840 -0.477 0.000 0.866 342 L CB 0.320 41.988 42.059 -0.651 0.000 1.047 342 L HN 0.036 nan 8.230 nan 0.000 0.468 343 V N 1.125 120.955 119.914 -0.140 0.000 2.282 343 V HA -0.217 3.900 4.120 -0.006 0.000 0.249 343 V C -0.256 175.823 176.094 -0.025 0.000 1.057 343 V CA 2.151 64.435 62.300 -0.027 0.000 1.032 343 V CB -1.393 30.452 31.823 0.037 0.000 0.645 343 V HN 0.354 nan 8.190 nan 0.000 0.447 344 P HA -0.141 nan 4.420 nan 0.000 0.215 344 P C 1.900 179.188 177.300 -0.019 0.000 1.153 344 P CA 1.150 64.239 63.100 -0.018 0.000 0.853 344 P CB -0.063 31.624 31.700 -0.022 0.000 0.788 345 L N -0.902 120.274 121.223 -0.078 0.000 2.093 345 L HA -0.080 4.256 4.340 -0.006 0.000 0.208 345 L C 2.146 179.033 176.870 0.028 0.000 1.085 345 L CA 1.565 56.362 54.840 -0.072 0.000 0.755 345 L CB -1.149 40.781 42.059 -0.215 0.000 0.904 345 L HN -0.119 nan 8.230 nan 0.000 0.435 346 I N -0.857 119.719 120.570 0.011 0.000 2.163 346 I HA -0.346 3.821 4.170 -0.006 0.000 0.243 346 I C 2.348 178.645 176.117 0.301 0.000 1.085 346 I CA 1.636 63.098 61.300 0.270 0.000 1.347 346 I CB -0.270 37.825 38.000 0.159 0.000 1.044 346 I HN 0.209 nan 8.210 nan 0.000 0.408 347 I N 0.127 120.793 120.570 0.160 0.000 2.315 347 I HA -0.256 3.910 4.170 -0.006 0.000 0.248 347 I C 2.755 178.940 176.117 0.114 0.000 1.117 347 I CA 1.040 62.426 61.300 0.143 0.000 1.404 347 I CB -0.366 37.690 38.000 0.092 0.000 1.071 347 I HN 0.188 nan 8.210 nan 0.000 0.419 348 R N 0.920 121.468 120.500 0.080 0.000 2.075 348 R HA -0.176 4.160 4.340 -0.006 0.000 0.232 348 R C 1.735 178.046 176.300 0.017 0.000 1.126 348 R CA 1.800 57.926 56.100 0.044 0.000 0.963 348 R CB -0.035 30.282 30.300 0.028 0.000 0.858 348 R HN 0.283 nan 8.270 nan 0.000 0.435 349 D N -0.692 119.717 120.400 0.016 0.000 2.137 349 D HA -0.087 4.549 4.640 -0.006 0.000 0.202 349 D C 1.236 177.309 176.300 -0.377 0.000 0.970 349 D CA 1.220 55.103 54.000 -0.196 0.000 0.837 349 D CB 0.025 40.666 40.800 -0.265 0.000 0.981 349 D HN 0.241 nan 8.370 nan 0.000 0.475 350 F N -0.010 120.019 119.950 0.132 0.000 2.704 350 F HA 0.353 4.878 4.527 -0.003 0.000 0.304 350 F C 1.558 177.421 175.800 0.104 0.000 1.094 350 F CA 0.298 58.376 58.000 0.130 0.000 1.275 350 F CB 0.508 39.609 39.000 0.169 0.000 1.073 350 F HN -0.037 nan 8.300 nan 0.000 0.586 351 G N 0.664 109.589 108.800 0.209 0.000 2.725 351 G HA2 -0.248 3.709 3.960 -0.006 0.000 0.220 351 G HA3 -0.248 3.709 3.960 -0.006 0.000 0.220 351 G C 0.500 175.496 174.900 0.161 0.000 1.357 351 G CA -0.269 44.920 45.100 0.148 0.000 0.866 351 G HN 0.132 nan 8.290 nan 0.000 0.548 352 L N -0.157 121.138 121.223 0.121 0.000 2.240 352 L HA 0.138 4.475 4.340 -0.006 0.000 0.211 352 L C 1.001 177.965 176.870 0.156 0.000 1.106 352 L CA 0.708 55.620 54.840 0.120 0.000 0.793 352 L CB -0.164 41.947 42.059 0.086 0.000 0.927 352 L HN 0.383 nan 8.230 nan 0.000 0.446 353 D N 0.974 121.462 120.400 0.146 0.000 2.713 353 D HA 0.134 4.771 4.640 -0.006 0.000 0.229 353 D C 0.230 176.723 176.300 0.322 0.000 1.136 353 D CA 0.410 54.510 54.000 0.168 0.000 1.010 353 D CB 0.500 41.279 40.800 -0.036 0.000 1.084 353 D HN 0.013 nan 8.370 nan 0.000 0.495 354 T N -0.412 114.387 114.554 0.407 0.000 2.812 354 T HA 0.619 4.965 4.350 -0.006 0.000 0.294 354 T C -1.211 173.578 174.700 0.148 0.000 1.159 354 T CA -0.605 61.695 62.100 0.333 0.000 1.008 354 T CB 1.243 70.234 68.868 0.205 0.000 1.289 354 T HN -0.002 nan 8.240 nan 0.000 0.514 355 I N 2.360 122.909 120.570 -0.035 0.000 2.436 355 I HA 0.434 4.601 4.170 -0.006 0.000 0.289 355 I C -0.426 175.581 176.117 -0.183 0.000 1.010 355 I CA -1.144 60.042 61.300 -0.189 0.000 1.098 355 I CB 2.168 39.987 38.000 -0.303 0.000 1.266 355 I HN 0.300 nan 8.210 nan 0.000 0.434 356 V N 5.327 125.132 119.914 -0.182 0.000 2.405 356 V HA 0.110 4.227 4.120 -0.006 0.000 0.264 356 V C 0.249 176.137 176.094 -0.344 0.000 1.048 356 V CA -0.266 61.903 62.300 -0.217 0.000 0.966 356 V CB 0.724 32.442 31.823 -0.176 0.000 1.015 356 V HN 0.613 nan 8.190 nan 0.000 0.477 357 N N 4.480 122.987 118.700 -0.323 0.000 2.678 357 N HA 0.355 5.091 4.740 -0.006 0.000 0.231 357 N C 0.859 176.149 175.510 -0.366 0.000 1.038 357 N CA 0.025 52.876 53.050 -0.331 0.000 0.932 357 N CB 1.528 39.857 38.487 -0.263 0.000 1.176 357 N HN 0.679 nan 8.380 nan 0.000 0.511 358 A N 2.542 125.018 122.820 -0.573 0.000 2.178 358 A HA 0.229 4.545 4.320 -0.006 0.000 0.218 358 A C 1.432 178.876 177.584 -0.233 0.000 1.157 358 A CA 0.956 52.643 52.037 -0.583 0.000 0.689 358 A CB -1.140 17.321 19.000 -0.898 0.000 0.787 358 A HN 0.901 nan 8.150 nan 0.000 0.465 359 G N -1.423 107.256 108.800 -0.201 0.000 2.581 359 G HA2 -0.117 3.840 3.960 -0.006 0.000 0.291 359 G HA3 -0.117 3.840 3.960 -0.006 0.000 0.291 359 G C 1.144 176.031 174.900 -0.022 0.000 1.277 359 G CA 0.206 45.254 45.100 -0.088 0.000 0.959 359 G HN 1.300 nan 8.290 nan 0.000 0.554 360 G N -0.000 108.838 108.800 0.064 0.000 2.712 360 G HA2 0.357 4.313 3.960 -0.006 0.000 0.212 360 G HA3 0.357 4.313 3.960 -0.006 0.000 0.212 360 G C 1.699 176.721 174.900 0.203 0.000 1.142 360 G CA 1.403 46.627 45.100 0.206 0.000 0.789 360 G HN 1.688 nan 8.290 nan 0.000 0.535 361 G N 1.142 109.983 108.800 0.069 0.000 2.448 361 G HA2 -0.200 3.757 3.960 -0.006 0.000 0.219 361 G HA3 -0.200 3.757 3.960 -0.006 0.000 0.219 361 G C 1.634 176.574 174.900 0.067 0.000 1.127 361 G CA 0.612 45.730 45.100 0.030 0.000 0.766 361 G HN 0.449 nan 8.290 nan 0.000 0.552 362 I N 0.016 120.597 120.570 0.020 0.000 2.399 362 I HA -0.221 3.945 4.170 -0.006 0.000 0.254 362 I C 2.293 178.402 176.117 -0.014 0.000 1.146 362 I CA 1.102 62.411 61.300 0.015 0.000 1.412 362 I CB -0.017 37.871 38.000 -0.187 0.000 1.076 362 I HN 0.243 nan 8.210 nan 0.000 0.432 363 H N -0.314 118.837 119.070 0.136 0.000 2.524 363 H HA 0.050 4.602 4.556 -0.006 0.000 0.282 363 H C 2.063 177.512 175.328 0.201 0.000 1.016 363 H CA 1.053 57.182 56.048 0.136 0.000 1.270 363 H CB -0.268 29.552 29.762 0.096 0.000 1.394 363 H HN 0.460 nan 8.280 nan 0.000 0.568 364 G N 0.158 109.172 108.800 0.357 0.000 2.920 364 G HA2 -0.137 3.820 3.960 -0.006 0.000 0.208 364 G HA3 -0.137 3.820 3.960 -0.006 0.000 0.208 364 G C 0.676 175.854 174.900 0.463 0.000 1.159 364 G CA -0.231 45.108 45.100 0.399 0.000 0.784 364 G HN 0.371 nan 8.290 nan 0.000 0.535 365 H N 1.269 120.573 119.070 0.390 0.000 2.897 365 H HA 0.070 4.622 4.556 -0.006 0.000 0.347 365 H C -1.358 174.007 175.328 0.063 0.000 1.068 365 H CA -1.137 55.059 56.048 0.246 0.000 1.426 365 H CB 1.658 31.556 29.762 0.228 0.000 1.410 365 H HN -0.077 nan 8.280 nan 0.000 0.597 366 P HA -0.145 nan 4.420 nan 0.000 0.217 366 P C 0.222 177.579 177.300 0.095 0.000 1.148 366 P CA 1.504 64.521 63.100 -0.137 0.000 0.834 366 P CB 0.293 31.809 31.700 -0.307 0.000 0.783 367 D N -1.248 119.378 120.400 0.378 0.000 2.491 367 D HA 0.283 4.920 4.640 -0.006 0.000 0.228 367 D C 1.165 177.568 176.300 0.171 0.000 1.183 367 D CA 0.410 54.553 54.000 0.238 0.000 0.827 367 D CB -0.115 40.803 40.800 0.197 0.000 0.989 367 D HN 0.051 nan 8.370 nan 0.000 0.494 368 G N 0.982 109.904 108.800 0.203 0.000 2.750 368 G HA2 -0.237 3.720 3.960 -0.006 0.000 0.228 368 G HA3 -0.237 3.720 3.960 -0.006 0.000 0.228 368 G C 1.127 176.077 174.900 0.084 0.000 1.367 368 G CA -0.188 45.000 45.100 0.147 0.000 0.871 368 G HN 0.300 nan 8.290 nan 0.000 0.560 369 A N -0.772 122.073 122.820 0.042 0.000 1.978 369 A HA 0.016 4.332 4.320 -0.006 0.000 0.220 369 A C 2.583 180.102 177.584 -0.109 0.000 1.170 369 A CA 2.396 54.374 52.037 -0.098 0.000 0.636 369 A CB -0.405 18.506 19.000 -0.148 0.000 0.810 369 A HN 0.971 nan 8.150 nan 0.000 0.448 370 I N -0.606 119.916 120.570 -0.080 0.000 2.179 370 I HA -0.192 3.974 4.170 -0.006 0.000 0.242 370 I C 2.725 178.747 176.117 -0.158 0.000 1.088 370 I CA 1.205 62.447 61.300 -0.096 0.000 1.357 370 I CB -0.711 37.250 38.000 -0.064 0.000 1.051 370 I HN 0.397 nan 8.210 nan 0.000 0.409 371 G N 0.444 109.106 108.800 -0.230 0.000 2.408 371 G HA2 -0.163 3.794 3.960 -0.006 0.000 0.217 371 G HA3 -0.163 3.794 3.960 -0.006 0.000 0.217 371 G C 1.717 176.092 174.900 -0.875 0.000 1.150 371 G CA 0.786 45.561 45.100 -0.542 0.000 0.776 371 G HN 0.496 nan 8.290 nan 0.000 0.542 372 G N 0.827 109.294 108.800 -0.555 0.000 2.418 372 G HA2 0.039 3.995 3.960 -0.006 0.000 0.217 372 G HA3 0.039 3.995 3.960 -0.006 0.000 0.217 372 G C 1.762 176.693 174.900 0.051 0.000 1.158 372 G CA 1.374 46.395 45.100 -0.131 0.000 0.771 372 G HN 0.570 nan 8.290 nan 0.000 0.545 373 G N 0.273 109.064 108.800 -0.015 0.000 2.408 373 G HA2 -0.127 3.829 3.960 -0.006 0.000 0.217 373 G HA3 -0.127 3.829 3.960 -0.006 0.000 0.217 373 G C 1.940 176.864 174.900 0.040 0.000 1.150 373 G CA 0.679 45.803 45.100 0.040 0.000 0.776 373 G HN 0.430 nan 8.290 nan 0.000 0.542 374 R N 0.438 120.909 120.500 -0.048 0.000 2.096 374 R HA 0.040 4.377 4.340 -0.006 0.000 0.235 374 R C 2.993 179.283 176.300 -0.016 0.000 1.127 374 R CA 1.089 57.164 56.100 -0.041 0.000 0.968 374 R CB -0.290 29.963 30.300 -0.078 0.000 0.861 374 R HN 0.352 nan 8.270 nan 0.000 0.440 375 A N 0.530 123.323 122.820 -0.044 0.000 1.902 375 A HA -0.149 4.168 4.320 -0.006 0.000 0.217 375 A C 1.865 179.426 177.584 -0.038 0.000 1.181 375 A CA 1.159 53.179 52.037 -0.028 0.000 0.623 375 A CB -0.561 18.444 19.000 0.010 0.000 0.818 375 A HN 0.189 nan 8.150 nan 0.000 0.443 376 F N -0.010 119.945 119.950 0.009 0.000 2.102 376 F HA -0.120 4.403 4.527 -0.006 0.000 0.298 376 F C 2.621 178.411 175.800 -0.017 0.000 1.105 376 F CA 1.514 59.509 58.000 -0.008 0.000 1.239 376 F CB -0.177 38.799 39.000 -0.040 0.000 0.991 376 F HN 0.063 nan 8.300 nan 0.000 0.474 377 R N 0.181 120.781 120.500 0.168 0.000 2.081 377 R HA -0.090 4.247 4.340 -0.006 0.000 0.235 377 R C 2.334 178.670 176.300 0.060 0.000 1.131 377 R CA 1.248 57.400 56.100 0.086 0.000 0.960 377 R CB -1.441 28.886 30.300 0.046 0.000 0.856 377 R HN 0.310 nan 8.270 nan 0.000 0.436 378 A N 0.943 123.789 122.820 0.043 0.000 1.933 378 A HA -0.041 4.276 4.320 -0.006 0.000 0.218 378 A C 2.353 179.953 177.584 0.026 0.000 1.175 378 A CA 1.719 53.772 52.037 0.026 0.000 0.628 378 A CB -0.455 18.552 19.000 0.013 0.000 0.814 378 A HN 0.341 nan 8.150 nan 0.000 0.444 379 A N -0.049 122.788 122.820 0.029 0.000 1.898 379 A HA -0.020 4.296 4.320 -0.006 0.000 0.216 379 A C 2.102 179.712 177.584 0.043 0.000 1.181 379 A CA 1.383 53.433 52.037 0.022 0.000 0.620 379 A CB -0.550 18.448 19.000 -0.004 0.000 0.819 379 A HN 0.478 nan 8.150 nan 0.000 0.442 380 I N -0.023 120.588 120.570 0.069 0.000 2.179 380 I HA -0.247 3.920 4.170 -0.006 0.000 0.242 380 I C 1.860 178.006 176.117 0.048 0.000 1.088 380 I CA 1.517 62.855 61.300 0.065 0.000 1.357 380 I CB -0.462 37.582 38.000 0.072 0.000 1.051 380 I HN 0.243 nan 8.210 nan 0.000 0.409 381 D N 1.070 121.495 120.400 0.042 0.000 2.117 381 D HA -0.158 4.479 4.640 -0.006 0.000 0.197 381 D C 2.253 178.570 176.300 0.028 0.000 0.987 381 D CA 1.553 55.573 54.000 0.034 0.000 0.829 381 D CB -0.218 40.599 40.800 0.028 0.000 0.961 381 D HN 0.354 nan 8.370 nan 0.000 0.460 382 A N 0.675 123.510 122.820 0.025 0.000 1.865 382 A HA -0.180 4.136 4.320 -0.006 0.000 0.217 382 A C 2.568 180.164 177.584 0.021 0.000 1.191 382 A CA 1.661 53.710 52.037 0.020 0.000 0.623 382 A CB -0.894 18.115 19.000 0.015 0.000 0.826 382 A HN 0.157 nan 8.150 nan 0.000 0.444 383 V N 0.367 120.296 119.914 0.025 0.000 2.343 383 V HA -0.247 3.870 4.120 -0.006 0.000 0.247 383 V C 2.469 178.581 176.094 0.029 0.000 1.051 383 V CA 1.892 64.208 62.300 0.026 0.000 1.036 383 V CB -0.775 31.067 31.823 0.031 0.000 0.654 383 V HN 0.564 nan 8.190 nan 0.000 0.451 384 L N 0.030 121.273 121.223 0.034 0.000 2.291 384 L HA 0.001 4.337 4.340 -0.006 0.000 0.214 384 L C 2.341 179.228 176.870 0.029 0.000 1.120 384 L CA 1.209 56.069 54.840 0.035 0.000 0.799 384 L CB -0.662 41.421 42.059 0.040 0.000 0.925 384 L HN 0.372 nan 8.230 nan 0.000 0.446 385 A N -0.182 122.653 122.820 0.025 0.000 2.275 385 A HA 0.354 4.671 4.320 -0.006 0.000 0.212 385 A C 1.579 179.173 177.584 0.018 0.000 1.201 385 A CA 0.563 52.612 52.037 0.020 0.000 0.843 385 A CB -0.265 18.746 19.000 0.018 0.000 0.873 385 A HN 0.459 nan 8.150 nan 0.000 0.492 386 G N 0.051 108.862 108.800 0.019 0.000 2.272 386 G HA2 -0.238 3.718 3.960 -0.006 0.000 0.280 386 G HA3 -0.238 3.718 3.960 -0.006 0.000 0.280 386 G C -0.051 174.857 174.900 0.013 0.000 1.067 386 G CA 0.396 45.506 45.100 0.016 0.000 0.902 386 G HN 0.746 nan 8.290 nan 0.000 0.500 387 R N -0.744 119.764 120.500 0.013 0.000 2.837 387 R HA 0.614 4.950 4.340 -0.006 0.000 0.271 387 R C -2.938 173.368 176.300 0.010 0.000 0.993 387 R CA -2.139 53.968 56.100 0.010 0.000 0.931 387 R CB 1.646 31.952 30.300 0.010 0.000 1.206 387 R HN 0.078 nan 8.270 nan 0.000 0.474 388 P HA 0.150 nan 4.420 nan 0.000 0.278 388 P C 0.599 177.903 177.300 0.006 0.000 1.238 388 P CA -0.404 62.700 63.100 0.006 0.000 0.794 388 P CB 0.676 32.380 31.700 0.005 0.000 0.955 389 L N 1.459 122.685 121.223 0.004 0.000 2.043 389 L HA -0.227 4.110 4.340 -0.006 0.000 0.212 389 L C 2.260 179.132 176.870 0.003 0.000 1.075 389 L CA 1.760 56.602 54.840 0.003 0.000 0.752 389 L CB -0.554 41.506 42.059 0.001 0.000 0.891 389 L HN 0.442 nan 8.230 nan 0.000 0.432 390 R N -0.242 120.261 120.500 0.003 0.000 2.152 390 R HA -0.102 4.234 4.340 -0.006 0.000 0.232 390 R C 2.412 178.712 176.300 0.001 0.000 1.117 390 R CA 1.066 57.167 56.100 0.001 0.000 0.981 390 R CB -0.367 29.934 30.300 0.001 0.000 0.870 390 R HN 0.369 nan 8.270 nan 0.000 0.451 391 A N 1.240 124.061 122.820 0.002 0.000 1.898 391 A HA -0.057 4.259 4.320 -0.006 0.000 0.216 391 A C 2.339 179.925 177.584 0.003 0.000 1.181 391 A CA 1.553 53.592 52.037 0.002 0.000 0.620 391 A CB -0.515 18.488 19.000 0.004 0.000 0.819 391 A HN 0.363 nan 8.150 nan 0.000 0.442 392 A N -0.296 122.526 122.820 0.004 0.000 1.968 392 A HA 0.278 4.594 4.320 -0.006 0.000 0.217 392 A C 2.430 180.016 177.584 0.003 0.000 1.169 392 A CA 1.667 53.707 52.037 0.005 0.000 0.638 392 A CB -0.851 18.154 19.000 0.007 0.000 0.812 392 A HN 0.993 nan 8.150 nan 0.000 0.446 393 A N 0.070 122.891 122.820 0.002 0.000 1.933 393 A HA 0.151 4.468 4.320 -0.006 0.000 0.218 393 A C 2.360 179.943 177.584 -0.002 0.000 1.175 393 A CA 1.819 53.856 52.037 0.001 0.000 0.628 393 A CB -0.861 18.138 19.000 -0.002 0.000 0.814 393 A HN 1.080 nan 8.150 nan 0.000 0.444 394 A N -0.440 122.379 122.820 -0.002 0.000 2.178 394 A HA -0.066 4.251 4.320 -0.006 0.000 0.218 394 A C 1.585 179.168 177.584 -0.003 0.000 1.157 394 A CA 1.446 53.481 52.037 -0.004 0.000 0.689 394 A CB -0.330 18.668 19.000 -0.004 0.000 0.787 394 A HN 0.689 nan 8.150 nan 0.000 0.465 395 E N -1.236 118.963 120.200 -0.001 0.000 2.539 395 E HA 0.093 4.439 4.350 -0.006 0.000 0.215 395 E C -0.143 176.458 176.600 0.001 0.000 0.965 395 E CA -0.285 56.114 56.400 -0.000 0.000 1.019 395 E CB 0.357 30.058 29.700 0.001 0.000 1.059 395 E HN 0.409 nan 8.360 nan 0.000 0.496 396 N N 1.605 120.306 118.700 0.002 0.000 2.540 396 N HA 0.020 4.757 4.740 -0.006 0.000 0.275 396 N C 0.078 175.594 175.510 0.010 0.000 1.053 396 N CA 0.105 53.158 53.050 0.005 0.000 0.876 396 N CB 1.681 40.172 38.487 0.006 0.000 1.284 396 N HN 0.016 nan 8.380 nan 0.000 0.518 397 E N 3.087 123.294 120.200 0.011 0.000 2.118 397 E HA -0.174 4.173 4.350 -0.006 0.000 0.195 397 E C 1.550 178.180 176.600 0.050 0.000 0.992 397 E CA 1.546 57.957 56.400 0.018 0.000 0.804 397 E CB 0.196 29.904 29.700 0.014 0.000 0.741 397 E HN 0.701 nan 8.360 nan 0.000 0.458 398 A N 0.883 123.739 122.820 0.060 0.000 1.883 398 A HA -0.189 4.128 4.320 -0.006 0.000 0.217 398 A C 2.124 179.821 177.584 0.187 0.000 1.186 398 A CA 1.415 53.527 52.037 0.125 0.000 0.624 398 A CB -0.673 18.312 19.000 -0.026 0.000 0.822 398 A HN 0.387 nan 8.150 nan 0.000 0.444 399 L N -0.642 120.625 121.223 0.073 0.000 2.093 399 L HA -0.132 4.205 4.340 -0.006 0.000 0.208 399 L C 2.435 179.323 176.870 0.030 0.000 1.085 399 L CA 2.605 57.474 54.840 0.048 0.000 0.755 399 L CB -0.774 41.294 42.059 0.015 0.000 0.904 399 L HN 0.477 nan 8.230 nan 0.000 0.435 400 Q N 0.034 119.843 119.800 0.014 0.000 2.084 400 Q HA -0.214 4.123 4.340 -0.006 0.000 0.202 400 Q C 2.186 178.150 176.000 -0.059 0.000 0.978 400 Q CA 1.908 57.700 55.803 -0.018 0.000 0.844 400 Q CB -0.140 28.587 28.738 -0.019 0.000 0.898 400 Q HN 0.492 nan 8.270 nan 0.000 0.426 401 K N -0.566 119.795 120.400 -0.065 0.000 2.097 401 K HA -0.066 4.250 4.320 -0.006 0.000 0.206 401 K C 2.010 178.405 176.600 -0.341 0.000 1.049 401 K CA 1.035 57.200 56.287 -0.203 0.000 0.933 401 K CB -0.217 32.142 32.500 -0.234 0.000 0.717 401 K HN 0.280 nan 8.250 nan 0.000 0.442 402 A N 1.495 124.201 122.820 -0.190 0.000 1.898 402 A HA -0.128 4.189 4.320 -0.006 0.000 0.216 402 A C 2.095 179.630 177.584 -0.082 0.000 1.181 402 A CA 1.194 53.144 52.037 -0.144 0.000 0.620 402 A CB -0.507 18.620 19.000 0.212 0.000 0.819 402 A HN 0.157 nan 8.150 nan 0.000 0.442 403 I N -0.171 120.379 120.570 -0.033 0.000 2.252 403 I HA -0.215 3.951 4.170 -0.006 0.000 0.245 403 I C 1.701 177.771 176.117 -0.079 0.000 1.102 403 I CA 1.390 62.688 61.300 -0.005 0.000 1.385 403 I CB -0.443 37.557 38.000 -0.001 0.000 1.064 403 I HN 0.233 nan 8.210 nan 0.000 0.414 404 D N 0.397 120.711 120.400 -0.144 0.000 2.178 404 D HA -0.141 4.496 4.640 -0.006 0.000 0.201 404 D C 2.299 178.444 176.300 -0.258 0.000 0.980 404 D CA 0.841 54.740 54.000 -0.168 0.000 0.842 404 D CB -0.163 40.535 40.800 -0.170 0.000 0.948 404 D HN 0.097 nan 8.370 nan 0.000 0.472 405 R N -0.480 119.755 120.500 -0.443 0.000 2.062 405 R HA -0.005 4.332 4.340 -0.006 0.000 0.226 405 R C 1.498 177.396 176.300 -0.669 0.000 1.125 405 R CA 0.815 56.470 56.100 -0.740 0.000 0.966 405 R CB -0.166 29.297 30.300 -1.394 0.000 0.861 405 R HN 0.331 nan 8.270 nan 0.000 0.433 406 W N -0.290 120.915 121.300 -0.159 0.000 2.871 406 W HA 0.368 5.025 4.660 -0.005 0.000 0.340 406 W C 0.603 176.997 176.519 -0.209 0.000 1.058 406 W CA 0.364 57.550 57.345 -0.266 0.000 1.633 406 W CB -0.264 28.906 29.460 -0.483 0.000 1.067 406 W HN 0.213 nan 8.180 nan 0.000 0.554 407 G N 1.123 109.969 108.800 0.076 0.000 2.782 407 G HA2 -0.168 3.789 3.960 -0.006 0.000 0.228 407 G HA3 -0.168 3.789 3.960 -0.006 0.000 0.228 407 G C -1.250 173.750 174.900 0.166 0.000 1.372 407 G CA -0.556 44.594 45.100 0.084 0.000 0.862 407 G HN -0.054 nan 8.290 nan 0.000 0.547 408 V N -0.184 119.800 119.914 0.117 0.000 2.540 408 V HA 0.558 4.675 4.120 -0.006 0.000 0.302 408 V C 0.595 176.738 176.094 0.082 0.000 1.035 408 V CA -0.743 61.617 62.300 0.101 0.000 0.873 408 V CB 1.734 33.585 31.823 0.047 0.000 0.992 408 V HN 0.949 nan 8.190 nan 0.000 0.428 409 V N 3.504 123.454 119.914 0.059 0.000 2.432 409 V HA 0.250 4.367 4.120 -0.006 0.000 0.271 409 V C 0.398 176.493 176.094 0.002 0.000 1.046 409 V CA -0.383 61.934 62.300 0.028 0.000 0.945 409 V CB 1.304 33.112 31.823 -0.025 0.000 0.992 409 V HN 0.963 nan 8.190 nan 0.000 0.471 410 E N 3.920 124.130 120.200 0.016 0.000 2.414 410 E HA 0.077 4.424 4.350 -0.006 0.000 0.263 410 E C 0.608 177.212 176.600 0.006 0.000 1.000 410 E CA 0.313 56.719 56.400 0.011 0.000 0.914 410 E CB 1.306 31.017 29.700 0.018 0.000 0.948 410 E HN 0.518 nan 8.360 nan 0.000 0.444 411 V N 1.088 121.004 119.914 0.003 0.000 3.605 411 V HA 0.254 4.371 4.120 -0.006 0.000 0.284 411 V C 0.705 176.805 176.094 0.010 0.000 1.386 411 V CA 0.104 62.407 62.300 0.004 0.000 1.053 411 V CB -0.474 31.348 31.823 -0.001 0.000 0.857 411 V HN 0.671 nan 8.190 nan 0.000 0.436 412 E N 1.928 122.134 120.200 0.010 0.000 2.415 412 E HA 0.444 4.791 4.350 -0.006 0.000 0.260 412 E C 0.679 177.286 176.600 0.011 0.000 1.016 412 E CA 0.345 56.751 56.400 0.010 0.000 0.924 412 E CB 0.977 30.682 29.700 0.009 0.000 0.961 412 E HN 0.696 nan 8.360 nan 0.000 0.459 413 A N 0.000 122.826 122.820 0.010 0.000 2.254 413 A HA 0.000 4.317 4.320 -0.006 0.000 0.244 413 A CA 0.000 52.043 52.037 0.010 0.000 0.836 413 A CB 0.000 19.004 19.000 0.007 0.000 0.831 413 A HN 0.000 nan 8.150 nan 0.000 0.486