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 2oel_1_A 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 0.000 174.603 174.600 0.005 0.000 1.055 2 S CA 0.000 58.211 58.200 0.018 0.000 1.107 2 S CB 0.000 63.223 63.200 0.038 0.000 0.593 3 A N 3.516 126.342 122.820 0.010 0.000 2.572 3 A HA 0.823 5.143 4.320 -0.000 0.000 0.295 3 A C -1.088 176.509 177.584 0.022 0.000 1.072 3 A CA -0.629 51.422 52.037 0.023 0.000 0.691 3 A CB 1.802 20.818 19.000 0.026 0.000 1.291 3 A HN 0.990 nan 8.150 nan 0.000 0.404 4 V N 2.595 122.550 119.914 0.070 0.000 2.432 4 V HA 0.384 4.504 4.120 -0.000 0.000 0.275 4 V C 0.250 176.385 176.094 0.069 0.000 1.043 4 V CA -0.019 62.304 62.300 0.038 0.000 0.925 4 V CB 1.201 33.068 31.823 0.073 0.000 0.985 4 V HN 0.875 nan 8.190 nan 0.000 0.466 5 M N 5.555 125.121 119.600 -0.056 0.000 2.088 5 M HA 0.672 5.152 4.480 -0.000 0.000 0.346 5 M C -0.125 176.099 176.300 -0.127 0.000 1.111 5 M CA -0.423 54.842 55.300 -0.058 0.000 1.017 5 M CB 0.999 33.542 32.600 -0.096 0.000 1.568 5 M HN 0.713 nan 8.290 nan 0.000 0.445 6 A N 3.791 126.571 122.820 -0.067 0.000 2.305 6 A HA 0.717 5.037 4.320 -0.000 0.000 0.322 6 A C -0.511 176.792 177.584 -0.468 0.000 1.187 6 A CA -0.467 51.385 52.037 -0.309 0.000 0.825 6 A CB 0.817 19.640 19.000 -0.295 0.000 1.164 6 A HN 0.761 nan 8.150 nan 0.000 0.498 7 T N 2.498 116.721 114.554 -0.552 0.000 2.779 7 T HA 0.588 4.938 4.350 -0.000 0.000 0.280 7 T C -1.169 173.236 174.700 -0.492 0.000 0.987 7 T CA 0.227 62.096 62.100 -0.385 0.000 0.966 7 T CB 0.187 68.919 68.868 -0.227 0.000 0.933 7 T HN 0.443 nan 8.240 nan 0.000 0.442 8 Y N 1.462 121.735 120.300 -0.046 0.000 2.562 8 Y HA 0.704 5.254 4.550 -0.000 0.000 0.343 8 Y C -0.381 175.501 175.900 -0.030 0.000 1.025 8 Y CA -1.558 56.518 58.100 -0.040 0.000 1.082 8 Y CB 1.340 39.810 38.460 0.017 0.000 1.264 8 Y HN 0.435 nan 8.280 nan 0.000 0.478 9 L N 2.941 124.263 121.223 0.165 0.000 2.305 9 L HA 0.679 5.019 4.340 -0.000 0.000 0.284 9 L C -1.881 175.065 176.870 0.127 0.000 1.013 9 L CA -0.525 54.367 54.840 0.086 0.000 0.819 9 L CB 0.595 42.696 42.059 0.071 0.000 1.227 9 L HN 0.498 nan 8.230 nan 0.000 0.417 10 L N 5.006 126.249 121.223 0.033 0.000 2.342 10 L HA 0.586 4.926 4.340 -0.000 0.000 0.271 10 L C -0.927 175.888 176.870 -0.093 0.000 1.008 10 L CA -0.389 54.481 54.840 0.049 0.000 0.818 10 L CB 1.898 43.965 42.059 0.014 0.000 1.296 10 L HN 0.570 nan 8.230 nan 0.000 0.427 11 H N 0.502 119.556 119.070 -0.028 0.000 2.658 11 H HA 0.702 5.258 4.556 0.000 0.000 0.337 11 H C -1.365 173.870 175.328 -0.154 0.000 1.009 11 H CA -0.611 55.384 56.048 -0.087 0.000 1.231 11 H CB 1.647 31.328 29.762 -0.135 0.000 1.508 11 H HN 0.526 nan 8.280 nan 0.000 0.517 12 D N 0.227 120.596 120.400 -0.052 0.000 2.717 12 D HA 0.091 4.731 4.640 -0.000 0.000 0.223 12 D C 0.239 176.492 176.300 -0.078 0.000 1.240 12 D CA -0.569 53.382 54.000 -0.082 0.000 0.801 12 D CB 1.557 42.324 40.800 -0.055 0.000 1.556 12 D HN 0.726 nan 8.370 nan 0.000 0.462 13 E N 0.103 120.253 120.200 -0.084 0.000 2.478 13 E HA 0.073 4.423 4.350 -0.000 0.000 0.194 13 E C 0.422 176.996 176.600 -0.044 0.000 1.045 13 E CA 0.145 56.508 56.400 -0.061 0.000 0.868 13 E CB 0.156 29.819 29.700 -0.062 0.000 0.885 13 E HN 0.372 nan 8.360 nan 0.000 0.505 14 T N -1.019 113.509 114.554 -0.043 0.000 2.952 14 T HA 0.192 4.542 4.350 -0.000 0.000 0.286 14 T C -0.216 174.465 174.700 -0.031 0.000 1.024 14 T CA -0.880 61.200 62.100 -0.033 0.000 1.029 14 T CB 1.570 70.420 68.868 -0.030 0.000 1.094 14 T HN -0.046 nan 8.240 nan 0.000 0.515 15 D N 0.173 120.558 120.400 -0.025 0.000 2.502 15 D HA -0.006 4.634 4.640 -0.000 0.000 0.249 15 D C 1.055 177.339 176.300 -0.027 0.000 1.188 15 D CA 0.178 54.164 54.000 -0.024 0.000 0.890 15 D CB -0.067 40.721 40.800 -0.019 0.000 1.140 15 D HN 0.534 nan 8.370 nan 0.000 0.505 16 I N 3.373 123.926 120.570 -0.030 0.000 2.315 16 I HA -0.192 3.978 4.170 -0.000 0.000 0.248 16 I C 2.422 178.523 176.117 -0.027 0.000 1.117 16 I CA 0.648 61.930 61.300 -0.031 0.000 1.404 16 I CB -0.220 37.759 38.000 -0.035 0.000 1.071 16 I HN 0.497 nan 8.210 nan 0.000 0.419 17 R N 1.741 122.226 120.500 -0.025 0.000 2.081 17 R HA -0.233 4.106 4.340 -0.000 0.000 0.235 17 R C 2.317 178.603 176.300 -0.023 0.000 1.131 17 R CA 1.785 57.871 56.100 -0.023 0.000 0.960 17 R CB -0.202 30.085 30.300 -0.022 0.000 0.856 17 R HN 0.187 nan 8.270 nan 0.000 0.436 18 K N 0.660 121.048 120.400 -0.020 0.000 2.026 18 K HA -0.224 4.096 4.320 -0.000 0.000 0.208 18 K C 2.096 178.684 176.600 -0.020 0.000 1.048 18 K CA 1.920 58.196 56.287 -0.017 0.000 0.929 18 K CB -0.094 32.398 32.500 -0.014 0.000 0.713 18 K HN 0.120 nan 8.250 nan 0.000 0.439 19 K N 0.004 120.390 120.400 -0.024 0.000 2.057 19 K HA -0.118 4.202 4.320 -0.000 0.000 0.207 19 K C 1.964 178.544 176.600 -0.034 0.000 1.049 19 K CA 1.215 57.485 56.287 -0.028 0.000 0.931 19 K CB -0.181 32.299 32.500 -0.032 0.000 0.714 19 K HN 0.239 nan 8.250 nan 0.000 0.440 20 A N 1.425 124.224 122.820 -0.035 0.000 1.902 20 A HA -0.199 4.120 4.320 -0.000 0.000 0.217 20 A C 1.824 179.383 177.584 -0.041 0.000 1.181 20 A CA 1.783 53.797 52.037 -0.038 0.000 0.623 20 A CB -0.499 18.485 19.000 -0.026 0.000 0.818 20 A HN 0.493 nan 8.150 nan 0.000 0.443 21 E N -0.686 119.492 120.200 -0.036 0.000 2.110 21 E HA -0.103 4.246 4.350 -0.000 0.000 0.193 21 E C 2.098 178.680 176.600 -0.030 0.000 0.988 21 E CA 0.715 57.092 56.400 -0.040 0.000 0.804 21 E CB -0.370 29.311 29.700 -0.030 0.000 0.745 21 E HN 0.615 nan 8.360 nan 0.000 0.458 22 G N 1.325 110.113 108.800 -0.020 0.000 2.422 22 G HA2 -0.215 3.744 3.960 -0.000 0.000 0.218 22 G HA3 -0.215 3.744 3.960 -0.000 0.000 0.218 22 G C 1.593 176.490 174.900 -0.004 0.000 1.146 22 G CA 0.476 45.572 45.100 -0.008 0.000 0.769 22 G HN 0.104 nan 8.290 nan 0.000 0.547 23 I N 1.227 121.787 120.570 -0.017 0.000 2.163 23 I HA -0.109 4.061 4.170 -0.000 0.000 0.240 23 I C 3.312 179.438 176.117 0.015 0.000 1.081 23 I CA 0.920 62.219 61.300 -0.000 0.000 1.353 23 I CB -0.321 37.658 38.000 -0.035 0.000 1.054 23 I HN 0.222 nan 8.210 nan 0.000 0.407 24 A N 0.678 123.468 122.820 -0.050 0.000 1.948 24 A HA -0.247 4.073 4.320 -0.000 0.000 0.220 24 A C 2.244 179.796 177.584 -0.054 0.000 1.177 24 A CA 1.976 53.940 52.037 -0.121 0.000 0.636 24 A CB -0.759 18.147 19.000 -0.156 0.000 0.815 24 A HN 0.423 nan 8.150 nan 0.000 0.449 25 L N -0.717 120.492 121.223 -0.022 0.000 2.102 25 L HA 0.215 4.555 4.340 -0.000 0.000 0.202 25 L C 2.415 179.317 176.870 0.053 0.000 1.076 25 L CA 2.145 56.991 54.840 0.011 0.000 0.761 25 L CB -1.092 40.977 42.059 0.017 0.000 0.921 25 L HN 0.254 nan 8.230 nan 0.000 0.444 26 G N -0.169 108.660 108.800 0.049 0.000 2.422 26 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.218 26 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.218 26 G C 1.409 176.359 174.900 0.082 0.000 1.146 26 G CA 0.985 46.121 45.100 0.059 0.000 0.769 26 G HN 0.390 nan 8.290 nan 0.000 0.547 27 L N 1.265 122.558 121.223 0.117 0.000 2.629 27 L HA 0.209 4.548 4.340 -0.000 0.000 0.230 27 L C 2.031 179.032 176.870 0.218 0.000 1.151 27 L CA 0.538 55.480 54.840 0.170 0.000 0.924 27 L CB 0.032 42.238 42.059 0.245 0.000 1.137 27 L HN 0.436 nan 8.230 nan 0.000 0.457 28 T N -3.367 111.289 114.554 0.170 0.000 2.614 28 T HA 0.149 4.499 4.350 -0.000 0.000 0.163 28 T C 1.381 176.164 174.700 0.139 0.000 0.806 28 T CA 0.066 62.275 62.100 0.182 0.000 1.020 28 T CB -0.347 68.619 68.868 0.163 0.000 2.539 28 T HN 0.090 nan 8.240 nan 0.000 0.380 29 I N -0.565 120.084 120.570 0.132 0.000 3.428 29 I HA 0.522 4.692 4.170 -0.000 0.000 0.286 29 I C 1.929 178.120 176.117 0.123 0.000 1.287 29 I CA 0.609 61.992 61.300 0.138 0.000 1.396 29 I CB -0.781 37.339 38.000 0.201 0.000 1.062 29 I HN 0.836 nan 8.210 nan 0.000 0.471 30 G N 1.954 110.819 108.800 0.108 0.000 3.909 30 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.218 30 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.218 30 G C 0.498 175.460 174.900 0.102 0.000 1.404 30 G CA 0.520 45.675 45.100 0.091 0.000 0.905 30 G HN 0.811 nan 8.290 nan 0.000 0.589 31 T N -4.128 110.506 114.554 0.133 0.000 2.883 31 T HA 0.650 5.000 4.350 -0.000 0.000 0.296 31 T C 0.040 174.900 174.700 0.267 0.000 1.117 31 T CA 0.340 62.533 62.100 0.154 0.000 1.006 31 T CB 2.480 71.405 68.868 0.095 0.000 1.191 31 T HN 1.132 nan 8.240 nan 0.000 0.508 32 W N 0.534 121.845 121.300 0.019 0.000 4.853 32 W HA -0.015 4.644 4.660 -0.000 0.000 0.186 32 W C 1.740 178.269 176.519 0.016 0.000 1.039 32 W CA 0.625 57.982 57.345 0.020 0.000 1.894 32 W CB -0.304 29.168 29.460 0.020 0.000 0.673 32 W HN 0.856 nan 8.180 nan 0.000 1.004 33 T N -0.359 114.242 114.554 0.078 0.000 2.977 33 T HA -0.204 4.146 4.350 -0.000 0.000 0.271 33 T C 0.924 175.565 174.700 -0.098 0.000 1.105 33 T CA 1.784 63.856 62.100 -0.047 0.000 1.116 33 T CB -0.611 68.293 68.868 0.061 0.000 0.878 33 T HN 0.245 nan 8.240 nan 0.000 0.509 34 D N 0.619 120.977 120.400 -0.070 0.000 2.342 34 D HA 0.129 4.769 4.640 -0.000 0.000 0.221 34 D C 0.263 176.503 176.300 -0.101 0.000 1.101 34 D CA -0.381 53.580 54.000 -0.064 0.000 0.837 34 D CB -0.361 40.427 40.800 -0.021 0.000 0.938 34 D HN 0.400 nan 8.370 nan 0.000 0.508 35 L N 0.739 121.849 121.223 -0.189 0.000 2.309 35 L HA 0.434 4.774 4.340 -0.000 0.000 0.282 35 L C -2.160 174.572 176.870 -0.230 0.000 1.036 35 L CA -2.061 52.654 54.840 -0.208 0.000 0.806 35 L CB 1.485 43.374 42.059 -0.283 0.000 1.220 35 L HN -0.303 nan 8.230 nan 0.000 0.429 36 P HA 0.033 nan 4.420 nan 0.000 0.271 36 P C 0.189 177.392 177.300 -0.162 0.000 1.233 36 P CA -0.118 62.906 63.100 -0.127 0.000 0.789 36 P CB 0.760 32.412 31.700 -0.079 0.000 0.951 37 A N 1.576 124.320 122.820 -0.127 0.000 1.933 37 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 37 A C 2.019 179.554 177.584 -0.083 0.000 1.175 37 A CA 1.449 53.415 52.037 -0.118 0.000 0.628 37 A CB -1.501 17.457 19.000 -0.071 0.000 0.814 37 A HN 0.616 nan 8.150 nan 0.000 0.444 38 L N -0.684 120.505 121.223 -0.057 0.000 2.083 38 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 38 L C 2.379 179.236 176.870 -0.021 0.000 1.083 38 L CA 1.909 56.732 54.840 -0.027 0.000 0.752 38 L CB -0.265 41.783 42.059 -0.018 0.000 0.899 38 L HN 0.495 nan 8.230 nan 0.000 0.433 39 E N -0.914 119.257 120.200 -0.048 0.000 2.158 39 E HA -0.206 4.144 4.350 -0.000 0.000 0.191 39 E C 2.156 178.737 176.600 -0.032 0.000 0.982 39 E CA 0.770 57.153 56.400 -0.028 0.000 0.823 39 E CB 0.041 29.714 29.700 -0.045 0.000 0.766 39 E HN 0.607 nan 8.360 nan 0.000 0.468 40 Q N 0.773 120.472 119.800 -0.168 0.000 2.084 40 Q HA -0.220 4.120 4.340 -0.000 0.000 0.202 40 Q C 2.179 178.256 176.000 0.129 0.000 0.978 40 Q CA 1.681 57.309 55.803 -0.292 0.000 0.844 40 Q CB -0.167 28.165 28.738 -0.677 0.000 0.898 40 Q HN 0.434 nan 8.270 nan 0.000 0.426 41 E N 0.743 120.990 120.200 0.078 0.000 2.150 41 E HA -0.255 4.095 4.350 -0.000 0.000 0.193 41 E C 1.993 178.671 176.600 0.130 0.000 0.985 41 E CA 1.081 57.555 56.400 0.123 0.000 0.814 41 E CB -0.196 29.544 29.700 0.067 0.000 0.752 41 E HN 0.363 nan 8.360 nan 0.000 0.466 42 Q N 0.402 120.271 119.800 0.116 0.000 2.123 42 Q HA -0.080 4.260 4.340 -0.000 0.000 0.199 42 Q C 1.723 177.850 176.000 0.211 0.000 0.966 42 Q CA 0.821 56.703 55.803 0.130 0.000 0.845 42 Q CB 0.221 29.018 28.738 0.099 0.000 0.907 42 Q HN 0.307 nan 8.270 nan 0.000 0.439 43 L N 0.768 122.150 121.223 0.266 0.000 2.607 43 L HA 0.131 4.471 4.340 -0.000 0.000 0.228 43 L C 2.059 179.150 176.870 0.367 0.000 1.123 43 L CA 0.421 55.485 54.840 0.373 0.000 0.890 43 L CB -0.670 41.594 42.059 0.341 0.000 1.103 43 L HN 0.213 nan 8.230 nan 0.000 0.468 44 R N 2.423 123.121 120.500 0.329 0.000 2.096 44 R HA -0.215 4.125 4.340 -0.000 0.000 0.240 44 R C 2.182 178.497 176.300 0.025 0.000 1.139 44 R CA 2.080 58.292 56.100 0.187 0.000 0.952 44 R CB -0.262 30.154 30.300 0.194 0.000 0.854 44 R HN 0.494 nan 8.270 nan 0.000 0.436 45 K N -1.490 118.895 120.400 -0.025 0.000 2.360 45 K HA -0.142 4.178 4.320 -0.000 0.000 0.201 45 K C 0.928 177.399 176.600 -0.215 0.000 1.046 45 K CA 1.614 57.808 56.287 -0.155 0.000 0.945 45 K CB -0.200 32.155 32.500 -0.242 0.000 0.750 45 K HN 0.392 nan 8.250 nan 0.000 0.464 46 H N 0.670 119.773 119.070 0.055 0.000 2.551 46 H HA 0.167 4.723 4.556 -0.000 0.000 0.271 46 H C -0.118 175.239 175.328 0.048 0.000 0.984 46 H CA -0.038 56.052 56.048 0.070 0.000 1.164 46 H CB 0.399 30.220 29.762 0.099 0.000 1.437 46 H HN 0.150 nan 8.280 nan 0.000 0.550 47 K N 1.663 122.102 120.400 0.065 0.000 2.349 47 K HA 0.201 4.521 4.320 -0.000 0.000 0.288 47 K C 0.509 177.059 176.600 -0.083 0.000 1.058 47 K CA -0.272 55.982 56.287 -0.055 0.000 0.953 47 K CB 0.665 32.991 32.500 -0.290 0.000 0.997 47 K HN 0.156 nan 8.250 nan 0.000 0.477 48 G N 3.161 111.919 108.800 -0.070 0.000 2.572 48 G HA2 0.195 4.155 3.960 -0.000 0.000 0.261 48 G HA3 0.195 4.155 3.960 -0.000 0.000 0.261 48 G C -0.771 174.016 174.900 -0.188 0.000 1.197 48 G CA -0.348 44.666 45.100 -0.143 0.000 0.870 48 G HN 0.607 nan 8.290 nan 0.000 0.548 49 E N -0.435 119.638 120.200 -0.212 0.000 2.366 49 E HA 0.259 4.609 4.350 -0.000 0.000 0.278 49 E C -0.951 175.552 176.600 -0.161 0.000 0.923 49 E CA -0.726 55.569 56.400 -0.174 0.000 0.761 49 E CB 2.293 31.903 29.700 -0.149 0.000 1.231 49 E HN 0.203 nan 8.360 nan 0.000 0.443 50 V N 2.797 122.638 119.914 -0.121 0.000 2.439 50 V HA 0.028 4.148 4.120 -0.000 0.000 0.271 50 V C 1.292 177.340 176.094 -0.076 0.000 1.040 50 V CA 0.092 62.340 62.300 -0.088 0.000 1.002 50 V CB 0.953 32.738 31.823 -0.064 0.000 1.000 50 V HN 0.565 nan 8.190 nan 0.000 0.477 51 V N 4.177 124.050 119.914 -0.069 0.000 2.599 51 V HA 0.345 4.465 4.120 -0.000 0.000 0.245 51 V C 0.840 176.906 176.094 -0.047 0.000 1.046 51 V CA 1.500 63.764 62.300 -0.060 0.000 1.065 51 V CB 0.066 31.851 31.823 -0.062 0.000 0.703 51 V HN 0.966 nan 8.190 nan 0.000 0.464 52 A N -0.688 122.109 122.820 -0.038 0.000 2.608 52 A HA 0.765 5.085 4.320 -0.000 0.000 0.292 52 A C -1.532 176.038 177.584 -0.022 0.000 1.066 52 A CA -0.388 51.630 52.037 -0.032 0.000 0.676 52 A CB 1.390 20.369 19.000 -0.034 0.000 1.277 52 A HN 0.092 nan 8.150 nan 0.000 0.413 53 I N 1.034 121.590 120.570 -0.023 0.000 2.548 53 I HA 0.355 4.524 4.170 -0.000 0.000 0.287 53 I C -0.529 175.574 176.117 -0.024 0.000 1.103 53 I CA -0.122 61.166 61.300 -0.019 0.000 1.049 53 I CB 2.129 40.117 38.000 -0.020 0.000 1.232 53 I HN 0.831 nan 8.210 nan 0.000 0.429 54 E N 6.817 127.002 120.200 -0.025 0.000 2.114 54 E HA 0.232 4.582 4.350 -0.000 0.000 0.266 54 E C -0.727 175.853 176.600 -0.033 0.000 0.896 54 E CA -0.636 55.747 56.400 -0.029 0.000 0.750 54 E CB 1.118 30.800 29.700 -0.031 0.000 1.121 54 E HN 0.403 nan 8.360 nan 0.000 0.413 55 E N 4.718 124.900 120.200 -0.031 0.000 2.376 55 E HA 0.030 4.379 4.350 -0.000 0.000 0.266 55 E C 0.576 177.155 176.600 -0.036 0.000 1.009 55 E CA 0.192 56.572 56.400 -0.034 0.000 0.902 55 E CB 1.179 30.863 29.700 -0.027 0.000 0.972 55 E HN 0.662 nan 8.360 nan 0.000 0.439 56 L N 1.376 122.572 121.223 -0.045 0.000 2.664 56 L HA 0.198 4.538 4.340 -0.000 0.000 0.233 56 L C 0.972 177.825 176.870 -0.029 0.000 1.113 56 L CA 0.211 55.026 54.840 -0.041 0.000 0.896 56 L CB 0.109 42.133 42.059 -0.060 0.000 1.163 56 L HN 0.754 nan 8.230 nan 0.000 0.497 57 G N 1.314 110.098 108.800 -0.027 0.000 2.755 57 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.686 57 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.686 57 G C -0.515 174.382 174.900 -0.006 0.000 1.427 57 G CA -0.712 44.380 45.100 -0.013 0.000 0.873 57 G HN 0.240 nan 8.290 nan 0.000 0.580 58 E N -0.436 119.768 120.200 0.008 0.000 2.349 58 E HA 0.497 4.847 4.350 -0.000 0.000 0.265 58 E C 0.243 176.873 176.600 0.051 0.000 1.064 58 E CA 0.114 56.531 56.400 0.029 0.000 0.886 58 E CB 1.353 31.071 29.700 0.030 0.000 1.036 58 E HN 0.567 nan 8.360 nan 0.000 0.413 59 S N 1.353 117.106 115.700 0.088 0.000 2.498 59 S HA 0.091 4.560 4.470 -0.000 0.000 0.317 59 S C 0.600 175.268 174.600 0.114 0.000 1.090 59 S CA -0.713 57.549 58.200 0.105 0.000 1.089 59 S CB 0.792 64.082 63.200 0.150 0.000 0.997 59 S HN 0.404 nan 8.310 nan 0.000 0.470 60 E N 3.972 124.224 120.200 0.086 0.000 2.150 60 E HA -0.139 4.210 4.350 -0.000 0.000 0.193 60 E C 1.880 178.543 176.600 0.105 0.000 0.985 60 E CA 0.745 57.195 56.400 0.083 0.000 0.814 60 E CB -0.195 29.540 29.700 0.059 0.000 0.752 60 E HN 0.759 nan 8.360 nan 0.000 0.466 61 R N 0.908 121.473 120.500 0.107 0.000 2.073 61 R HA -0.112 4.228 4.340 -0.000 0.000 0.234 61 R C 2.273 178.685 176.300 0.187 0.000 1.134 61 R CA 1.413 57.582 56.100 0.116 0.000 0.952 61 R CB -0.120 30.232 30.300 0.087 0.000 0.850 61 R HN 0.008 nan 8.270 nan 0.000 0.433 62 V N 1.713 121.774 119.914 0.245 0.000 2.307 62 V HA -0.228 3.892 4.120 -0.000 0.000 0.245 62 V C 1.824 178.134 176.094 0.361 0.000 1.045 62 V CA 1.996 64.528 62.300 0.387 0.000 1.024 62 V CB -0.713 31.392 31.823 0.471 0.000 0.651 62 V HN 0.410 nan 8.190 nan 0.000 0.449 63 N N 0.799 119.643 118.700 0.240 0.000 2.069 63 N HA -0.155 4.585 4.740 -0.000 0.000 0.191 63 N C 1.843 177.447 175.510 0.157 0.000 1.031 63 N CA 1.788 54.945 53.050 0.178 0.000 0.852 63 N CB -0.644 37.910 38.487 0.113 0.000 1.018 63 N HN 0.489 nan 8.380 nan 0.000 0.423 64 A N -0.165 122.741 122.820 0.142 0.000 1.902 64 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 64 A C 2.169 179.819 177.584 0.111 0.000 1.181 64 A CA 1.216 53.318 52.037 0.107 0.000 0.623 64 A CB -1.020 18.038 19.000 0.097 0.000 0.818 64 A HN 0.425 nan 8.150 nan 0.000 0.443 65 Y N -0.575 119.728 120.300 0.004 0.000 2.097 65 Y HA -0.203 4.347 4.550 -0.000 0.000 0.282 65 Y C 1.819 177.598 175.900 -0.202 0.000 1.152 65 Y CA 1.834 59.867 58.100 -0.113 0.000 1.136 65 Y CB -0.622 37.743 38.460 -0.158 0.000 0.975 65 Y HN 0.261 nan 8.280 nan 0.000 0.498 66 F N 0.182 120.012 119.950 -0.200 0.000 2.661 66 F HA 0.172 4.700 4.527 0.001 0.000 0.298 66 F C 2.050 177.737 175.800 -0.188 0.000 1.137 66 F CA 1.190 59.006 58.000 -0.307 0.000 1.454 66 F CB -0.479 38.386 39.000 -0.226 0.000 1.103 66 F HN 0.236 nan 8.300 nan 0.000 0.577 67 G N 1.229 110.051 108.800 0.037 0.000 2.176 67 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.252 67 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.252 67 G C 0.022 174.943 174.900 0.036 0.000 1.024 67 G CA 0.560 45.671 45.100 0.018 0.000 0.755 67 G HN 0.558 nan 8.290 nan 0.000 0.507 68 K N -2.074 118.363 120.400 0.062 0.000 2.658 68 K HA 0.591 4.911 4.320 -0.000 0.000 0.293 68 K C -0.534 176.088 176.600 0.036 0.000 1.026 68 K CA -1.341 54.966 56.287 0.034 0.000 0.871 68 K CB 1.024 33.530 32.500 0.009 0.000 1.524 68 K HN 0.090 nan 8.250 nan 0.000 0.400 69 R N 1.362 121.871 120.500 0.015 0.000 2.248 69 R HA 0.305 4.645 4.340 -0.000 0.000 0.328 69 R C -0.628 175.667 176.300 -0.008 0.000 1.067 69 R CA -0.319 55.790 56.100 0.015 0.000 0.924 69 R CB 0.176 30.481 30.300 0.008 0.000 1.013 69 R HN 0.379 nan 8.270 nan 0.000 0.454 70 L N 4.018 125.243 121.223 0.002 0.000 2.325 70 L HA 0.384 4.724 4.340 -0.000 0.000 0.281 70 L C 0.113 176.979 176.870 -0.007 0.000 1.004 70 L CA -0.755 54.068 54.840 -0.029 0.000 0.823 70 L CB 1.765 43.784 42.059 -0.067 0.000 1.236 70 L HN 0.405 nan 8.230 nan 0.000 0.415 71 K N 3.341 123.721 120.400 -0.033 0.000 2.258 71 K HA 0.455 4.775 4.320 -0.000 0.000 0.264 71 K C -0.497 176.051 176.600 -0.087 0.000 1.007 71 K CA -0.383 55.878 56.287 -0.044 0.000 0.941 71 K CB 0.910 33.384 32.500 -0.043 0.000 0.966 71 K HN 0.504 nan 8.250 nan 0.000 0.480 72 R N 0.369 120.800 120.500 -0.115 0.000 2.686 72 R HA 0.704 5.044 4.340 -0.000 0.000 0.283 72 R C -1.342 174.868 176.300 -0.151 0.000 0.978 72 R CA -0.895 55.069 56.100 -0.227 0.000 0.897 72 R CB 2.186 32.325 30.300 -0.268 0.000 1.192 72 R HN 0.684 nan 8.270 nan 0.000 0.457 73 A N 2.544 125.271 122.820 -0.156 0.000 2.605 73 A HA 0.467 4.786 4.320 -0.000 0.000 0.294 73 A C -1.471 176.077 177.584 -0.059 0.000 1.062 73 A CA -0.754 51.232 52.037 -0.085 0.000 0.682 73 A CB 1.305 20.271 19.000 -0.057 0.000 1.278 73 A HN 0.464 nan 8.150 nan 0.000 0.410 74 I N 2.160 122.708 120.570 -0.037 0.000 2.304 74 I HA 0.413 4.583 4.170 -0.000 0.000 0.291 74 I C -0.293 175.829 176.117 0.009 0.000 1.018 74 I CA -0.401 60.891 61.300 -0.013 0.000 1.260 74 I CB 0.695 38.677 38.000 -0.029 0.000 1.390 74 I HN 0.307 nan 8.210 nan 0.000 0.475 75 V N 7.492 127.442 119.914 0.061 0.000 2.513 75 V HA 0.417 4.537 4.120 -0.000 0.000 0.299 75 V C 0.105 176.270 176.094 0.118 0.000 1.035 75 V CA -0.909 61.443 62.300 0.087 0.000 0.889 75 V CB 2.182 34.073 31.823 0.114 0.000 0.988 75 V HN 0.601 nan 8.190 nan 0.000 0.440 76 K N 5.215 125.645 120.400 0.051 0.000 2.323 76 K HA 0.730 5.050 4.320 -0.000 0.000 0.259 76 K C -1.264 175.343 176.600 0.013 0.000 0.947 76 K CA -0.391 55.902 56.287 0.010 0.000 0.819 76 K CB 2.081 34.556 32.500 -0.042 0.000 1.109 76 K HN 0.525 nan 8.250 nan 0.000 0.429 77 I N 1.857 122.445 120.570 0.029 0.000 2.545 77 I HA 0.410 4.579 4.170 -0.000 0.000 0.292 77 I C -0.560 175.439 176.117 -0.195 0.000 1.040 77 I CA -1.069 60.174 61.300 -0.094 0.000 1.068 77 I CB 2.142 40.089 38.000 -0.089 0.000 1.251 77 I HN 0.597 nan 8.210 nan 0.000 0.424 78 A N 5.902 128.564 122.820 -0.263 0.000 2.260 78 A HA 0.682 5.002 4.320 -0.000 0.000 0.314 78 A C -1.482 175.947 177.584 -0.258 0.000 1.257 78 A CA -0.208 51.725 52.037 -0.174 0.000 0.871 78 A CB 0.163 19.101 19.000 -0.103 0.000 1.166 78 A HN 0.584 nan 8.150 nan 0.000 0.522 79 Y N 2.986 123.325 120.300 0.066 0.000 2.334 79 Y HA 0.379 4.929 4.550 -0.000 0.000 0.336 79 Y C -2.291 173.706 175.900 0.163 0.000 0.960 79 Y CA -2.434 55.748 58.100 0.137 0.000 1.164 79 Y CB 1.369 39.937 38.460 0.179 0.000 1.155 79 Y HN 0.515 nan 8.280 nan 0.000 0.478 80 P HA -0.048 nan 4.420 nan 0.000 0.264 80 P C 0.914 178.256 177.300 0.069 0.000 1.193 80 P CA 0.407 63.577 63.100 0.116 0.000 0.763 80 P CB 0.754 32.498 31.700 0.073 0.000 0.810 81 T N -1.151 113.336 114.554 -0.112 0.000 3.007 81 T HA -0.105 4.245 4.350 -0.000 0.000 0.270 81 T C 1.323 175.785 174.700 -0.395 0.000 1.107 81 T CA 1.171 62.987 62.100 -0.474 0.000 1.118 81 T CB -0.994 67.714 68.868 -0.267 0.000 0.889 81 T HN 0.261 nan 8.240 nan 0.000 0.506 82 V N -0.690 119.149 119.914 -0.124 0.000 3.510 82 V HA 0.142 4.262 4.120 -0.000 0.000 0.270 82 V C 1.730 177.901 176.094 0.129 0.000 1.201 82 V CA 0.840 63.132 62.300 -0.012 0.000 1.166 82 V CB -1.096 30.711 31.823 -0.026 0.000 0.825 82 V HN 0.236 nan 8.190 nan 0.000 0.484 83 N N 0.997 119.775 118.700 0.129 0.000 2.446 83 N HA 0.216 4.956 4.740 -0.000 0.000 0.179 83 N C 0.085 175.800 175.510 0.341 0.000 1.054 83 N CA 0.823 54.059 53.050 0.310 0.000 0.905 83 N CB 0.053 38.806 38.487 0.443 0.000 0.973 83 N HN 0.858 nan 8.380 nan 0.000 0.448 84 F N -2.116 117.951 119.950 0.195 0.000 2.643 84 F HA 0.627 5.154 4.527 0.000 0.000 0.314 84 F C 0.083 176.023 175.800 0.232 0.000 1.096 84 F CA -1.760 56.353 58.000 0.189 0.000 0.953 84 F CB 0.542 39.647 39.000 0.175 0.000 1.345 84 F HN -0.254 nan 8.300 nan 0.000 0.468 85 S N 0.442 116.374 115.700 0.387 0.000 2.593 85 S HA 0.543 5.013 4.470 -0.000 0.000 0.269 85 S C 0.235 175.080 174.600 0.408 0.000 1.334 85 S CA -0.307 58.059 58.200 0.276 0.000 1.015 85 S CB 1.161 64.484 63.200 0.205 0.000 0.912 85 S HN 1.248 nan 8.310 nan 0.000 0.541 86 A N 1.963 124.921 122.820 0.230 0.000 3.063 86 A HA 0.453 4.773 4.320 -0.000 0.000 0.263 86 A C -0.090 177.578 177.584 0.140 0.000 1.736 86 A CA -0.554 51.586 52.037 0.172 0.000 1.408 86 A CB -1.564 17.285 19.000 -0.251 0.000 1.108 86 A HN 0.908 nan 8.150 nan 0.000 0.621 87 D N -1.197 119.469 120.400 0.443 0.000 2.661 87 D HA 0.397 5.036 4.640 -0.000 0.000 0.228 87 D C 0.564 177.140 176.300 0.460 0.000 1.210 87 D CA -0.838 53.396 54.000 0.389 0.000 0.826 87 D CB 0.681 41.604 40.800 0.205 0.000 1.542 87 D HN -0.015 nan 8.370 nan 0.000 0.447 88 L N -0.004 121.439 121.223 0.366 0.000 2.083 88 L HA 0.014 4.353 4.340 -0.000 0.000 0.209 88 L C -0.775 176.218 176.870 0.206 0.000 1.083 88 L CA 1.185 56.166 54.840 0.235 0.000 0.752 88 L CB -1.338 40.805 42.059 0.141 0.000 0.899 88 L HN 0.381 nan 8.230 nan 0.000 0.433 89 P HA -0.147 nan 4.420 nan 0.000 0.217 89 P C 1.519 178.902 177.300 0.139 0.000 1.150 89 P CA 1.671 64.868 63.100 0.161 0.000 0.832 89 P CB 0.043 31.831 31.700 0.146 0.000 0.787 90 A N -0.644 122.281 122.820 0.175 0.000 1.930 90 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 90 A C 2.114 179.665 177.584 -0.056 0.000 1.175 90 A CA 1.329 53.452 52.037 0.144 0.000 0.627 90 A CB -1.645 17.548 19.000 0.321 0.000 0.815 90 A HN 0.159 nan 8.150 nan 0.000 0.443 91 L N -0.115 121.117 121.223 0.014 0.000 2.017 91 L HA -0.127 4.212 4.340 -0.000 0.000 0.208 91 L C 2.257 179.031 176.870 -0.159 0.000 1.073 91 L CA 1.812 56.535 54.840 -0.196 0.000 0.745 91 L CB -0.461 41.675 42.059 0.128 0.000 0.894 91 L HN 0.395 nan 8.230 nan 0.000 0.432 92 L N -1.641 119.597 121.223 0.024 0.000 2.056 92 L HA -0.174 4.166 4.340 -0.000 0.000 0.207 92 L C 2.431 179.324 176.870 0.039 0.000 1.078 92 L CA 0.963 55.857 54.840 0.090 0.000 0.749 92 L CB -0.638 41.542 42.059 0.201 0.000 0.901 92 L HN 0.130 nan 8.230 nan 0.000 0.433 93 V N -0.634 119.282 119.914 0.004 0.000 2.427 93 V HA -0.244 3.876 4.120 -0.000 0.000 0.248 93 V C 2.521 178.560 176.094 -0.091 0.000 1.051 93 V CA 2.190 64.481 62.300 -0.015 0.000 1.048 93 V CB -0.594 31.236 31.823 0.012 0.000 0.666 93 V HN 0.471 nan 8.190 nan 0.000 0.456 94 T N 0.088 114.509 114.554 -0.222 0.000 2.770 94 T HA -0.146 4.204 4.350 -0.000 0.000 0.263 94 T C 1.933 176.339 174.700 -0.491 0.000 1.039 94 T CA 2.061 63.945 62.100 -0.360 0.000 1.142 94 T CB -0.327 68.142 68.868 -0.664 0.000 0.868 94 T HN 0.741 nan 8.240 nan 0.000 0.435 95 T N -1.724 112.559 114.554 -0.453 0.000 3.057 95 T HA 0.191 4.541 4.350 -0.000 0.000 0.254 95 T C 0.476 175.301 174.700 0.210 0.000 1.094 95 T CA 0.127 62.027 62.100 -0.333 0.000 1.088 95 T CB -0.087 68.624 68.868 -0.261 0.000 0.934 95 T HN 0.222 nan 8.240 nan 0.000 0.497 96 F N 0.748 120.664 119.950 -0.056 0.000 2.438 96 F HA 0.563 5.090 4.527 -0.000 0.000 0.381 96 F C 0.933 176.726 175.800 -0.011 0.000 1.448 96 F CA -1.363 56.649 58.000 0.020 0.000 1.070 96 F CB 0.261 39.292 39.000 0.052 0.000 1.432 96 F HN 0.115 nan 8.300 nan 0.000 0.504 97 G N 0.645 109.411 108.800 -0.056 0.000 2.549 97 G HA2 -0.022 3.938 3.960 -0.000 0.000 0.219 97 G HA3 -0.022 3.938 3.960 -0.000 0.000 0.219 97 G C 1.356 176.163 174.900 -0.155 0.000 1.677 97 G CA 0.431 45.478 45.100 -0.089 0.000 0.929 97 G HN 0.218 nan 8.290 nan 0.000 0.549 98 K N -0.325 120.015 120.400 -0.100 0.000 2.147 98 K HA -0.014 4.306 4.320 -0.000 0.000 0.205 98 K C 2.419 178.929 176.600 -0.150 0.000 1.049 98 K CA 0.994 57.221 56.287 -0.100 0.000 0.936 98 K CB -0.238 32.232 32.500 -0.049 0.000 0.722 98 K HN 0.188 nan 8.250 nan 0.000 0.446 99 L N 1.537 122.665 121.223 -0.159 0.000 2.187 99 L HA -0.140 4.199 4.340 -0.000 0.000 0.213 99 L C 2.059 178.696 176.870 -0.388 0.000 1.100 99 L CA 2.096 56.828 54.840 -0.181 0.000 0.765 99 L CB -0.629 41.392 42.059 -0.063 0.000 0.904 99 L HN 0.338 nan 8.230 nan 0.000 0.437 100 S N -1.615 113.634 115.700 -0.750 0.000 2.474 100 S HA -0.097 4.373 4.470 -0.000 0.000 0.235 100 S C 1.687 176.043 174.600 -0.407 0.000 0.997 100 S CA 1.051 58.624 58.200 -1.044 0.000 0.949 100 S CB -0.640 61.871 63.200 -1.148 0.000 0.766 100 S HN 0.542 nan 8.310 nan 0.000 0.517 101 L N 0.542 121.607 121.223 -0.264 0.000 2.585 101 L HA 0.310 4.650 4.340 -0.000 0.000 0.226 101 L C 0.851 177.669 176.870 -0.088 0.000 1.113 101 L CA 0.074 54.825 54.840 -0.148 0.000 0.876 101 L CB -0.279 41.709 42.059 -0.118 0.000 1.072 101 L HN 0.140 nan 8.230 nan 0.000 0.468 102 D N 1.618 121.968 120.400 -0.082 0.000 2.801 102 D HA 0.251 4.891 4.640 -0.000 0.000 0.232 102 D C 1.142 177.449 176.300 0.013 0.000 1.128 102 D CA 0.862 54.839 54.000 -0.038 0.000 1.003 102 D CB -0.237 40.533 40.800 -0.050 0.000 1.110 102 D HN 0.319 nan 8.370 nan 0.000 0.477 103 G N 2.224 111.046 108.800 0.036 0.000 2.556 103 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.283 103 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.283 103 G C -0.064 174.992 174.900 0.259 0.000 1.177 103 G CA -0.208 44.953 45.100 0.102 0.000 0.978 103 G HN 0.419 nan 8.290 nan 0.000 0.554 104 E N 0.550 120.854 120.200 0.173 0.000 1.861 104 E HA 0.543 4.893 4.350 -0.000 0.000 0.263 104 E C -0.230 176.475 176.600 0.175 0.000 1.137 104 E CA 0.030 56.517 56.400 0.145 0.000 0.944 104 E CB 1.156 30.793 29.700 -0.105 0.000 1.092 104 E HN 0.646 nan 8.360 nan 0.000 0.420 105 V N 2.981 123.055 119.914 0.267 0.000 2.623 105 V HA 0.499 4.619 4.120 -0.000 0.000 0.304 105 V C -0.366 175.984 176.094 0.426 0.000 1.054 105 V CA -0.984 61.488 62.300 0.286 0.000 0.882 105 V CB 2.120 34.082 31.823 0.233 0.000 1.002 105 V HN 0.442 nan 8.190 nan 0.000 0.424 106 R N 3.602 124.287 120.500 0.308 0.000 2.561 106 R HA 0.668 5.008 4.340 -0.000 0.000 0.297 106 R C -1.574 174.719 176.300 -0.011 0.000 0.969 106 R CA -0.845 55.355 56.100 0.167 0.000 0.879 106 R CB 1.778 32.130 30.300 0.086 0.000 1.178 106 R HN 0.626 nan 8.270 nan 0.000 0.445 107 L N 6.280 127.234 121.223 -0.447 0.000 2.315 107 L HA 0.235 4.575 4.340 -0.000 0.000 0.283 107 L C -0.103 176.563 176.870 -0.340 0.000 1.089 107 L CA 0.322 54.837 54.840 -0.542 0.000 0.833 107 L CB 0.924 42.362 42.059 -1.035 0.000 1.170 107 L HN 0.871 nan 8.230 nan 0.000 0.442 108 L N 2.881 123.941 121.223 -0.270 0.000 2.298 108 L HA 0.357 4.696 4.340 -0.000 0.000 0.209 108 L C 0.069 176.829 176.870 -0.184 0.000 1.084 108 L CA 0.237 54.965 54.840 -0.187 0.000 0.816 108 L CB 0.017 41.993 42.059 -0.138 0.000 0.967 108 L HN 0.639 nan 8.230 nan 0.000 0.460 109 D N -1.398 118.853 120.400 -0.249 0.000 2.694 109 D HA 0.510 5.150 4.640 -0.000 0.000 0.260 109 D C -1.627 174.501 176.300 -0.287 0.000 1.250 109 D CA -0.356 53.515 54.000 -0.215 0.000 0.763 109 D CB 1.674 42.365 40.800 -0.182 0.000 1.311 109 D HN -0.207 nan 8.370 nan 0.000 0.420 110 L N 1.324 122.367 121.223 -0.300 0.000 2.436 110 L HA 0.540 4.880 4.340 -0.000 0.000 0.268 110 L C -0.654 175.731 176.870 -0.809 0.000 0.974 110 L CA -0.666 53.897 54.840 -0.463 0.000 0.826 110 L CB 2.266 44.144 42.059 -0.302 0.000 1.291 110 L HN 0.302 nan 8.230 nan 0.000 0.406 111 E N 2.698 122.412 120.200 -0.809 0.000 2.234 111 E HA 0.621 4.971 4.350 -0.000 0.000 0.266 111 E C -1.645 174.524 176.600 -0.718 0.000 0.877 111 E CA -0.566 55.389 56.400 -0.741 0.000 0.758 111 E CB 2.387 31.889 29.700 -0.329 0.000 1.170 111 E HN 0.209 nan 8.360 nan 0.000 0.415 112 F N 1.242 121.209 119.950 0.028 0.000 2.561 112 F HA 0.496 5.023 4.527 -0.000 0.000 0.321 112 F C -2.215 173.648 175.800 0.105 0.000 1.065 112 F CA -2.904 55.127 58.000 0.052 0.000 0.934 112 F CB 0.514 39.650 39.000 0.228 0.000 1.215 112 F HN 0.215 nan 8.300 nan 0.000 0.471 113 P HA 0.087 nan 4.420 nan 0.000 0.272 113 P C 0.200 177.664 177.300 0.274 0.000 1.223 113 P CA 0.004 63.236 63.100 0.220 0.000 0.784 113 P CB 0.839 32.652 31.700 0.189 0.000 0.923 114 D N 1.110 121.608 120.400 0.165 0.000 2.123 114 D HA -0.232 4.408 4.640 -0.000 0.000 0.196 114 D C 1.596 177.976 176.300 0.134 0.000 0.992 114 D CA 1.376 55.448 54.000 0.120 0.000 0.833 114 D CB -0.027 40.800 40.800 0.045 0.000 0.954 114 D HN 0.568 nan 8.370 nan 0.000 0.455 115 E N -1.209 119.076 120.200 0.141 0.000 2.160 115 E HA -0.207 4.142 4.350 -0.000 0.000 0.195 115 E C 1.753 178.463 176.600 0.184 0.000 0.991 115 E CA 0.924 57.398 56.400 0.124 0.000 0.810 115 E CB -0.305 29.459 29.700 0.107 0.000 0.742 115 E HN 0.553 nan 8.360 nan 0.000 0.466 116 W N 1.388 122.753 121.300 0.109 0.000 2.409 116 W HA -0.037 4.622 4.660 -0.000 0.000 0.299 116 W C 1.956 178.622 176.519 0.245 0.000 1.203 116 W CA 1.481 58.923 57.345 0.162 0.000 1.298 116 W CB 0.130 29.705 29.460 0.193 0.000 1.127 116 W HN -0.078 nan 8.180 nan 0.000 0.528 117 K N -0.018 120.641 120.400 0.432 0.000 2.103 117 K HA -0.177 4.143 4.320 -0.000 0.000 0.207 117 K C 1.908 178.668 176.600 0.268 0.000 1.048 117 K CA 1.577 58.077 56.287 0.355 0.000 0.930 117 K CB -0.387 32.232 32.500 0.198 0.000 0.716 117 K HN 0.123 nan 8.250 nan 0.000 0.444 118 R N 1.018 121.573 120.500 0.091 0.000 2.341 118 R HA -0.114 4.226 4.340 -0.000 0.000 0.213 118 R C 1.552 177.823 176.300 -0.049 0.000 1.082 118 R CA 0.812 56.925 56.100 0.023 0.000 1.017 118 R CB -0.067 30.221 30.300 -0.019 0.000 0.860 118 R HN 0.373 nan 8.270 nan 0.000 0.473 119 Q N -0.606 119.091 119.800 -0.171 0.000 2.403 119 Q HA 0.075 4.415 4.340 -0.000 0.000 0.203 119 Q C -0.583 174.907 176.000 -0.849 0.000 0.932 119 Q CA 0.362 55.856 55.803 -0.515 0.000 0.945 119 Q CB 0.380 28.664 28.738 -0.756 0.000 1.045 119 Q HN 0.118 nan 8.270 nan 0.000 0.511 120 F N -0.098 119.769 119.950 -0.138 0.000 2.561 120 F HA 0.282 4.809 4.527 -0.000 0.000 0.321 120 F C -1.531 174.281 175.800 0.021 0.000 1.065 120 F CA -2.453 55.479 58.000 -0.114 0.000 0.934 120 F CB 1.292 40.180 39.000 -0.188 0.000 1.215 120 F HN -0.202 nan 8.300 nan 0.000 0.471 121 P HA 0.136 nan 4.420 nan 0.000 0.219 121 P C 0.517 177.826 177.300 0.015 0.000 1.154 121 P CA 1.258 64.368 63.100 0.016 0.000 0.826 121 P CB 0.503 32.166 31.700 -0.061 0.000 0.795 122 G N 0.754 109.388 108.800 -0.276 0.000 2.796 122 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.226 122 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.226 122 G C -2.969 171.851 174.900 -0.133 0.000 1.381 122 G CA -0.609 44.283 45.100 -0.346 0.000 0.867 122 G HN 0.139 nan 8.290 nan 0.000 0.552 123 P HA 0.270 nan 4.420 nan 0.000 0.271 123 P C 0.830 178.079 177.300 -0.084 0.000 1.218 123 P CA -0.166 62.903 63.100 -0.051 0.000 0.780 123 P CB 0.782 32.469 31.700 -0.022 0.000 0.901 124 R N 1.707 122.121 120.500 -0.143 0.000 2.093 124 R HA 0.015 4.355 4.340 -0.000 0.000 0.224 124 R C 0.894 176.864 176.300 -0.550 0.000 1.101 124 R CA 1.572 57.442 56.100 -0.383 0.000 0.979 124 R CB -0.165 29.797 30.300 -0.563 0.000 0.877 124 R HN 0.403 nan 8.270 nan 0.000 0.441 125 F N -0.560 119.369 119.950 -0.034 0.000 2.490 125 F HA 0.379 4.906 4.527 -0.000 0.000 0.280 125 F C 1.398 177.157 175.800 -0.068 0.000 1.030 125 F CA 0.660 58.636 58.000 -0.040 0.000 1.367 125 F CB -0.294 38.684 39.000 -0.036 0.000 1.131 125 F HN 0.258 nan 8.300 nan 0.000 0.632 126 G N 1.296 110.143 108.800 0.079 0.000 2.750 126 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.228 126 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.228 126 G C 0.786 175.617 174.900 -0.115 0.000 1.367 126 G CA -0.118 44.956 45.100 -0.045 0.000 0.871 126 G HN 0.232 nan 8.290 nan 0.000 0.560 127 I N 0.051 120.454 120.570 -0.279 0.000 2.151 127 I HA -0.194 3.976 4.170 -0.000 0.000 0.243 127 I C 2.502 178.488 176.117 -0.218 0.000 1.080 127 I CA 2.132 63.105 61.300 -0.544 0.000 1.339 127 I CB -0.417 37.119 38.000 -0.775 0.000 1.039 127 I HN 0.534 nan 8.210 nan 0.000 0.409 128 D N 0.973 121.295 120.400 -0.130 0.000 2.104 128 D HA -0.143 4.497 4.640 -0.000 0.000 0.194 128 D C 2.190 178.525 176.300 0.059 0.000 0.994 128 D CA 1.701 55.679 54.000 -0.036 0.000 0.830 128 D CB -0.658 40.130 40.800 -0.019 0.000 0.959 128 D HN 0.409 nan 8.370 nan 0.000 0.452 129 G N 0.955 109.812 108.800 0.094 0.000 2.418 129 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.217 129 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.217 129 G C 1.574 176.539 174.900 0.107 0.000 1.158 129 G CA 0.295 45.505 45.100 0.184 0.000 0.771 129 G HN 0.156 nan 8.290 nan 0.000 0.545 130 I N 0.863 121.482 120.570 0.081 0.000 2.179 130 I HA -0.075 4.095 4.170 -0.000 0.000 0.242 130 I C 2.771 178.975 176.117 0.146 0.000 1.088 130 I CA 0.932 62.276 61.300 0.073 0.000 1.357 130 I CB -1.088 36.963 38.000 0.085 0.000 1.051 130 I HN 0.175 nan 8.210 nan 0.000 0.409 131 R N 0.553 121.177 120.500 0.207 0.000 2.105 131 R HA -0.185 4.155 4.340 -0.000 0.000 0.239 131 R C 1.869 178.281 176.300 0.187 0.000 1.135 131 R CA 1.536 57.763 56.100 0.211 0.000 0.967 131 R CB -0.224 30.185 30.300 0.181 0.000 0.861 131 R HN 0.412 nan 8.270 nan 0.000 0.442 132 D N 0.049 120.547 120.400 0.163 0.000 2.117 132 D HA -0.109 4.531 4.640 -0.000 0.000 0.198 132 D C 1.919 178.250 176.300 0.052 0.000 0.982 132 D CA 1.127 55.199 54.000 0.120 0.000 0.828 132 D CB -0.097 40.771 40.800 0.112 0.000 0.967 132 D HN 0.207 nan 8.370 nan 0.000 0.464 133 R N 0.200 120.712 120.500 0.020 0.000 2.148 133 R HA -0.009 4.331 4.340 -0.000 0.000 0.227 133 R C 2.094 178.383 176.300 -0.018 0.000 1.103 133 R CA 0.380 56.458 56.100 -0.036 0.000 0.983 133 R CB -0.061 30.165 30.300 -0.123 0.000 0.874 133 R HN 0.062 nan 8.270 nan 0.000 0.451 134 V N -0.195 119.732 119.914 0.023 0.000 3.590 134 V HA 0.224 4.343 4.120 -0.000 0.000 0.265 134 V C 0.881 176.994 176.094 0.031 0.000 1.239 134 V CA 1.099 63.412 62.300 0.021 0.000 1.117 134 V CB 0.307 32.152 31.823 0.038 0.000 0.818 134 V HN 0.576 nan 8.190 nan 0.000 0.451 135 G N 0.638 109.470 108.800 0.052 0.000 2.176 135 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.252 135 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.252 135 G C 0.012 174.960 174.900 0.080 0.000 1.024 135 G CA 0.336 45.468 45.100 0.053 0.000 0.755 135 G HN 0.866 nan 8.290 nan 0.000 0.507 136 V N 0.187 120.173 119.914 0.119 0.000 2.349 136 V HA 0.451 4.571 4.120 -0.000 0.000 0.284 136 V C 0.964 177.183 176.094 0.208 0.000 1.014 136 V CA -0.480 61.898 62.300 0.130 0.000 0.826 136 V CB 1.337 33.212 31.823 0.087 0.000 1.009 136 V HN 0.370 nan 8.190 nan 0.000 0.431 137 H N 2.755 121.860 119.070 0.059 0.000 2.497 137 H HA 0.181 4.737 4.556 -0.000 0.000 0.282 137 H C 1.681 177.047 175.328 0.064 0.000 1.003 137 H CA 1.924 58.008 56.048 0.060 0.000 1.307 137 H CB 0.509 30.297 29.762 0.044 0.000 1.437 137 H HN 0.679 nan 8.280 nan 0.000 0.544 138 N N -0.763 118.012 118.700 0.124 0.000 2.684 138 N HA 0.045 4.785 4.740 -0.000 0.000 0.220 138 N C 0.104 175.656 175.510 0.071 0.000 1.037 138 N CA -0.251 52.840 53.050 0.068 0.000 0.975 138 N CB 1.030 39.562 38.487 0.074 0.000 1.426 138 N HN 0.106 nan 8.380 nan 0.000 0.450 139 R N 2.923 123.469 120.500 0.076 0.000 2.784 139 R HA 0.214 4.554 4.340 -0.000 0.000 0.266 139 R C -2.598 173.755 176.300 0.088 0.000 1.044 139 R CA -1.089 55.054 56.100 0.072 0.000 1.151 139 R CB -0.579 29.757 30.300 0.059 0.000 1.037 139 R HN 0.003 nan 8.270 nan 0.000 0.478 140 P HA 0.010 nan 4.420 nan 0.000 0.272 140 P C -0.307 177.012 177.300 0.032 0.000 1.230 140 P CA -0.088 63.070 63.100 0.097 0.000 0.788 140 P CB 0.605 32.359 31.700 0.090 0.000 0.949 141 L N 0.945 122.148 121.223 -0.035 0.000 2.454 141 L HA 0.458 4.798 4.340 -0.000 0.000 0.256 141 L C 0.519 177.305 176.870 -0.140 0.000 1.136 141 L CA -0.851 53.923 54.840 -0.111 0.000 0.804 141 L CB 0.173 42.088 42.059 -0.241 0.000 1.181 141 L HN 0.256 nan 8.230 nan 0.000 0.469 142 L N 2.292 123.420 121.223 -0.157 0.000 2.409 142 L HA 0.592 4.932 4.340 -0.000 0.000 0.272 142 L C -0.581 176.143 176.870 -0.244 0.000 0.980 142 L CA -0.260 54.452 54.840 -0.213 0.000 0.826 142 L CB 1.677 43.633 42.059 -0.171 0.000 1.268 142 L HN 0.646 nan 8.230 nan 0.000 0.407 143 M N 2.864 122.282 119.600 -0.304 0.000 2.619 143 M HA 0.941 5.421 4.480 -0.000 0.000 0.297 143 M C -0.990 175.119 176.300 -0.318 0.000 1.229 143 M CA -0.346 54.785 55.300 -0.283 0.000 0.860 143 M CB 2.309 34.748 32.600 -0.269 0.000 1.741 143 M HN 0.595 nan 8.290 nan 0.000 0.462 144 S N 0.975 116.510 115.700 -0.274 0.000 2.685 144 S HA 0.889 5.359 4.470 -0.000 0.000 0.282 144 S C -0.948 173.536 174.600 -0.193 0.000 1.159 144 S CA -0.867 57.174 58.200 -0.265 0.000 0.833 144 S CB 1.656 64.669 63.200 -0.312 0.000 1.151 144 S HN 0.804 nan 8.310 nan 0.000 0.485 145 I N 0.624 121.127 120.570 -0.112 0.000 2.608 145 I HA 0.461 4.631 4.170 -0.000 0.000 0.295 145 I C -0.895 175.294 176.117 0.119 0.000 1.049 145 I CA -0.851 60.447 61.300 -0.003 0.000 1.063 145 I CB 1.492 39.530 38.000 0.063 0.000 1.248 145 I HN 0.561 nan 8.210 nan 0.000 0.424 146 F N 3.144 123.161 119.950 0.111 0.000 2.589 146 F HA 0.126 4.653 4.527 -0.000 0.000 0.352 146 F C 0.616 176.427 175.800 0.017 0.000 1.168 146 F CA 0.396 58.438 58.000 0.070 0.000 1.353 146 F CB 0.336 39.347 39.000 0.018 0.000 1.116 146 F HN 0.324 nan 8.300 nan 0.000 0.608 147 K N 1.030 121.449 120.400 0.031 0.000 2.221 147 K HA 0.524 4.844 4.320 -0.000 0.000 0.258 147 K C 0.018 176.654 176.600 0.059 0.000 0.944 147 K CA -0.218 56.033 56.287 -0.060 0.000 0.823 147 K CB 1.511 33.767 32.500 -0.406 0.000 1.113 147 K HN 0.748 nan 8.250 nan 0.000 0.431 148 G N 4.289 113.129 108.800 0.067 0.000 2.332 148 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.277 148 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.277 148 G C 0.256 175.202 174.900 0.076 0.000 0.884 148 G CA 0.937 46.073 45.100 0.061 0.000 1.251 148 G HN 0.641 nan 8.290 nan 0.000 0.462 149 M N 0.730 120.369 119.600 0.065 0.000 2.510 149 M HA 0.367 4.847 4.480 -0.000 0.000 0.256 149 M C 1.503 177.790 176.300 -0.022 0.000 1.132 149 M CA -0.008 55.311 55.300 0.032 0.000 1.105 149 M CB 0.209 32.770 32.600 -0.065 0.000 1.375 149 M HN 0.374 nan 8.290 nan 0.000 0.477 150 I N 1.308 121.871 120.570 -0.012 0.000 2.742 150 I HA 0.081 4.251 4.170 -0.000 0.000 0.287 150 I C 1.310 177.411 176.117 -0.027 0.000 1.186 150 I CA 0.997 62.293 61.300 -0.006 0.000 1.417 150 I CB -0.457 37.554 38.000 0.019 0.000 1.377 150 I HN 0.695 nan 8.210 nan 0.000 0.556 151 G N 5.025 113.810 108.800 -0.025 0.000 2.175 151 G HA2 -0.197 3.762 3.960 -0.000 0.000 0.244 151 G HA3 -0.197 3.762 3.960 -0.000 0.000 0.244 151 G C 0.420 175.275 174.900 -0.076 0.000 0.982 151 G CA -0.513 44.562 45.100 -0.041 0.000 0.641 151 G HN 0.503 nan 8.290 nan 0.000 0.527 152 R N 0.971 121.417 120.500 -0.090 0.000 2.553 152 R HA 0.575 4.915 4.340 -0.000 0.000 0.263 152 R C 0.179 176.453 176.300 -0.044 0.000 1.066 152 R CA 0.127 56.152 56.100 -0.125 0.000 1.135 152 R CB 0.626 30.825 30.300 -0.168 0.000 1.148 152 R HN 0.528 nan 8.270 nan 0.000 0.558 153 D N -0.968 119.425 120.400 -0.012 0.000 2.487 153 D HA 0.159 4.799 4.640 -0.000 0.000 0.262 153 D C 1.220 177.544 176.300 0.040 0.000 1.130 153 D CA -0.740 53.269 54.000 0.014 0.000 1.038 153 D CB 0.493 41.300 40.800 0.013 0.000 1.142 153 D HN 0.283 nan 8.370 nan 0.000 0.575 154 L N -0.313 120.922 121.223 0.019 0.000 2.191 154 L HA -0.107 4.233 4.340 -0.000 0.000 0.212 154 L C 2.381 179.263 176.870 0.021 0.000 1.103 154 L CA 1.489 56.333 54.840 0.007 0.000 0.769 154 L CB -0.575 41.486 42.059 0.003 0.000 0.908 154 L HN 0.610 nan 8.230 nan 0.000 0.438 155 A N -0.797 122.050 122.820 0.046 0.000 1.930 155 A HA -0.260 4.059 4.320 -0.000 0.000 0.217 155 A C 2.161 179.795 177.584 0.084 0.000 1.175 155 A CA 1.337 53.407 52.037 0.054 0.000 0.627 155 A CB -0.713 18.322 19.000 0.059 0.000 0.815 155 A HN 0.422 nan 8.150 nan 0.000 0.443 156 Y N -0.083 120.202 120.300 -0.025 0.000 2.220 156 Y HA -0.075 4.475 4.550 -0.000 0.000 0.291 156 Y C 2.051 177.940 175.900 -0.020 0.000 1.129 156 Y CA 1.507 59.596 58.100 -0.019 0.000 1.161 156 Y CB -0.272 38.169 38.460 -0.032 0.000 0.997 156 Y HN 0.283 nan 8.280 nan 0.000 0.522 157 L N -0.417 120.816 121.223 0.018 0.000 1.970 157 L HA -0.271 4.069 4.340 -0.000 0.000 0.212 157 L C 2.551 179.396 176.870 -0.042 0.000 1.071 157 L CA 2.635 57.396 54.840 -0.132 0.000 0.751 157 L CB -0.942 40.991 42.059 -0.210 0.000 0.889 157 L HN 0.462 nan 8.230 nan 0.000 0.432 158 T N -3.826 110.703 114.554 -0.042 0.000 2.759 158 T HA -0.219 4.131 4.350 -0.000 0.000 0.269 158 T C 2.055 176.733 174.700 -0.036 0.000 1.042 158 T CA 1.517 63.598 62.100 -0.032 0.000 1.140 158 T CB -0.710 68.143 68.868 -0.024 0.000 0.864 158 T HN 0.431 nan 8.240 nan 0.000 0.455 159 S N 0.966 116.629 115.700 -0.062 0.000 2.356 159 S HA -0.147 4.323 4.470 -0.000 0.000 0.223 159 S C 2.190 176.719 174.600 -0.118 0.000 1.032 159 S CA 1.109 59.255 58.200 -0.090 0.000 1.005 159 S CB -0.497 62.635 63.200 -0.115 0.000 0.867 159 S HN 0.502 nan 8.310 nan 0.000 0.449 160 E N 0.701 120.802 120.200 -0.166 0.000 2.150 160 E HA -0.056 4.294 4.350 -0.000 0.000 0.193 160 E C 2.026 178.599 176.600 -0.045 0.000 0.985 160 E CA 0.543 56.879 56.400 -0.108 0.000 0.814 160 E CB -0.481 29.169 29.700 -0.084 0.000 0.752 160 E HN 0.449 nan 8.360 nan 0.000 0.466 161 L N 1.640 122.882 121.223 0.031 0.000 2.027 161 L HA -0.138 4.202 4.340 -0.000 0.000 0.206 161 L C 1.976 178.764 176.870 -0.137 0.000 1.074 161 L CA 1.820 56.582 54.840 -0.130 0.000 0.745 161 L CB -0.250 41.781 42.059 -0.046 0.000 0.898 161 L HN -0.091 nan 8.230 nan 0.000 0.433 162 K N -0.595 119.757 120.400 -0.080 0.000 2.097 162 K HA -0.185 4.135 4.320 -0.000 0.000 0.206 162 K C 2.087 178.647 176.600 -0.067 0.000 1.049 162 K CA 1.520 57.768 56.287 -0.065 0.000 0.933 162 K CB -0.117 32.358 32.500 -0.042 0.000 0.717 162 K HN 0.314 nan 8.250 nan 0.000 0.442 163 K N 0.978 121.338 120.400 -0.067 0.000 2.026 163 K HA -0.191 4.129 4.320 -0.000 0.000 0.208 163 K C 2.260 178.815 176.600 -0.075 0.000 1.048 163 K CA 1.550 57.806 56.287 -0.053 0.000 0.929 163 K CB -0.037 32.446 32.500 -0.028 0.000 0.713 163 K HN 0.178 nan 8.250 nan 0.000 0.439 164 Q N -0.035 119.695 119.800 -0.117 0.000 2.079 164 Q HA -0.106 4.234 4.340 -0.000 0.000 0.200 164 Q C 2.156 178.072 176.000 -0.140 0.000 0.974 164 Q CA 1.453 57.157 55.803 -0.165 0.000 0.840 164 Q CB -0.116 28.466 28.738 -0.260 0.000 0.898 164 Q HN 0.351 nan 8.270 nan 0.000 0.430 165 A N 0.613 123.359 122.820 -0.124 0.000 1.930 165 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 165 A C 1.960 179.509 177.584 -0.059 0.000 1.175 165 A CA 0.919 52.904 52.037 -0.087 0.000 0.627 165 A CB -0.511 18.448 19.000 -0.069 0.000 0.815 165 A HN 0.298 nan 8.150 nan 0.000 0.443 166 L N -0.712 120.477 121.223 -0.055 0.000 2.376 166 L HA -0.058 4.282 4.340 -0.000 0.000 0.219 166 L C 2.435 179.278 176.870 -0.045 0.000 1.133 166 L CA 0.661 55.477 54.840 -0.041 0.000 0.816 166 L CB -0.327 41.711 42.059 -0.036 0.000 0.933 166 L HN 0.497 nan 8.230 nan 0.000 0.449 167 G N -1.169 107.594 108.800 -0.061 0.000 2.813 167 G HA2 0.195 4.155 3.960 -0.000 0.000 0.209 167 G HA3 0.195 4.155 3.960 -0.000 0.000 0.209 167 G C 1.238 176.108 174.900 -0.050 0.000 1.150 167 G CA 0.504 45.567 45.100 -0.063 0.000 0.785 167 G HN 0.475 nan 8.290 nan 0.000 0.535 168 G N -0.833 107.938 108.800 -0.049 0.000 2.132 168 G HA2 -0.114 3.846 3.960 -0.000 0.000 0.234 168 G HA3 -0.114 3.846 3.960 -0.000 0.000 0.234 168 G C 0.457 175.326 174.900 -0.052 0.000 0.989 168 G CA 0.379 45.457 45.100 -0.037 0.000 0.676 168 G HN 1.457 nan 8.290 nan 0.000 0.522 169 V N -2.095 117.768 119.914 -0.085 0.000 2.811 169 V HA 0.556 4.676 4.120 -0.000 0.000 0.302 169 V C 1.129 177.162 176.094 -0.101 0.000 1.063 169 V CA 0.482 62.710 62.300 -0.120 0.000 1.088 169 V CB 1.325 33.043 31.823 -0.175 0.000 0.982 169 V HN 0.092 nan 8.190 nan 0.000 0.485 170 D N 2.201 122.537 120.400 -0.107 0.000 2.213 170 D HA 0.180 4.820 4.640 -0.000 0.000 0.205 170 D C 0.304 176.548 176.300 -0.094 0.000 0.961 170 D CA 1.221 55.171 54.000 -0.083 0.000 0.853 170 D CB 0.752 41.505 40.800 -0.078 0.000 0.967 170 D HN 0.600 nan 8.370 nan 0.000 0.496 171 L N 0.363 121.504 121.223 -0.136 0.000 2.472 171 L HA 0.391 4.731 4.340 -0.000 0.000 0.260 171 L C -1.406 175.362 176.870 -0.170 0.000 0.963 171 L CA -0.543 54.212 54.840 -0.142 0.000 0.829 171 L CB 2.386 44.334 42.059 -0.185 0.000 1.348 171 L HN -0.342 nan 8.230 nan 0.000 0.408 175 D N 1.001 121.472 120.400 0.119 0.000 2.382 175 D HA 0.000 4.640 4.640 -0.000 0.000 0.245 175 D C 1.331 177.564 176.300 -0.113 0.000 1.120 175 D CA 0.060 54.078 54.000 0.031 0.000 0.890 175 D CB 1.037 41.854 40.800 0.029 0.000 1.201 175 D HN 0.341 nan 8.370 nan 0.000 0.433 176 E N 3.760 123.834 120.200 -0.209 0.000 2.338 176 E HA -0.169 4.181 4.350 -0.000 0.000 0.197 176 E C 1.454 177.808 176.600 -0.411 0.000 1.007 176 E CA 0.868 57.034 56.400 -0.391 0.000 0.849 176 E CB -0.531 28.662 29.700 -0.845 0.000 0.774 176 E HN 0.722 nan 8.360 nan 0.000 0.506 177 I N -1.294 119.092 120.570 -0.307 0.000 3.861 177 I HA 0.236 4.406 4.170 -0.000 0.000 0.329 177 I C 0.617 176.433 176.117 -0.500 0.000 1.321 177 I CA -0.531 60.587 61.300 -0.303 0.000 1.126 177 I CB 0.162 38.170 38.000 0.014 0.000 1.018 177 I HN -0.106 nan 8.210 nan 0.000 0.407 178 L N 2.813 123.707 121.223 -0.548 0.000 2.268 178 L HA 0.491 4.831 4.340 -0.000 0.000 0.289 178 L C -1.231 175.305 176.870 -0.556 0.000 1.064 178 L CA 0.156 54.779 54.840 -0.361 0.000 0.824 178 L CB 0.356 42.309 42.059 -0.176 0.000 1.202 178 L HN 0.053 nan 8.230 nan 0.000 0.433 179 F N 2.234 122.197 119.950 0.021 0.000 2.483 179 F HA 0.373 4.900 4.527 -0.000 0.000 0.329 179 F C 0.810 176.631 175.800 0.035 0.000 1.064 179 F CA -0.821 57.195 58.000 0.026 0.000 0.986 179 F CB 0.688 39.695 39.000 0.012 0.000 1.218 179 F HN 0.404 nan 8.300 nan 0.000 0.484 180 D N 0.900 121.436 120.400 0.228 0.000 2.443 180 D HA 0.305 4.945 4.640 -0.000 0.000 0.239 180 D C -0.077 176.300 176.300 0.128 0.000 1.136 180 D CA 0.429 54.524 54.000 0.157 0.000 0.879 180 D CB 0.801 41.685 40.800 0.141 0.000 1.195 180 D HN 0.555 nan 8.370 nan 0.000 0.443 181 S N -0.276 115.482 115.700 0.095 0.000 2.671 181 S HA 0.259 4.729 4.470 -0.000 0.000 0.277 181 S C 0.764 175.397 174.600 0.054 0.000 1.165 181 S CA -0.879 57.362 58.200 0.068 0.000 0.822 181 S CB 2.005 65.240 63.200 0.059 0.000 1.150 181 S HN 0.441 nan 8.310 nan 0.000 0.479 182 E N -0.074 120.149 120.200 0.039 0.000 2.110 182 E HA -0.045 4.305 4.350 -0.000 0.000 0.193 182 E C 1.530 178.146 176.600 0.027 0.000 0.988 182 E CA 1.101 57.520 56.400 0.031 0.000 0.804 182 E CB -0.266 29.447 29.700 0.022 0.000 0.745 182 E HN 0.644 nan 8.360 nan 0.000 0.458 183 L N 0.095 121.331 121.223 0.022 0.000 2.109 183 L HA -0.037 4.302 4.340 -0.000 0.000 0.207 183 L C 0.928 177.807 176.870 0.016 0.000 1.086 183 L CA 0.653 55.501 54.840 0.013 0.000 0.760 183 L CB 0.134 42.196 42.059 0.003 0.000 0.910 183 L HN 0.158 nan 8.230 nan 0.000 0.437 184 L N 0.411 121.649 121.223 0.024 0.000 2.556 184 L HA 0.347 4.686 4.340 -0.000 0.000 0.243 184 L C -2.429 174.477 176.870 0.060 0.000 1.331 184 L CA -1.722 53.133 54.840 0.026 0.000 0.927 184 L CB 0.821 42.883 42.059 0.005 0.000 1.219 184 L HN -0.164 nan 8.230 nan 0.000 0.490 185 P HA 0.020 nan 4.420 nan 0.000 0.271 185 P C 0.639 178.021 177.300 0.136 0.000 1.216 185 P CA -0.245 62.915 63.100 0.101 0.000 0.776 185 P CB 0.707 32.451 31.700 0.074 0.000 0.881 186 F N 3.472 123.433 119.950 0.019 0.000 2.043 186 F HA -0.264 4.263 4.527 -0.000 0.000 0.297 186 F C 1.884 177.689 175.800 0.007 0.000 1.118 186 F CA 1.977 59.982 58.000 0.008 0.000 1.202 186 F CB -0.627 38.377 39.000 0.006 0.000 0.965 186 F HN 0.416 nan 8.300 nan 0.000 0.482 187 E N -0.215 119.966 120.200 -0.032 0.000 2.160 187 E HA -0.235 4.115 4.350 -0.000 0.000 0.195 187 E C 2.162 178.689 176.600 -0.121 0.000 0.991 187 E CA 1.441 57.748 56.400 -0.155 0.000 0.810 187 E CB -0.150 29.549 29.700 -0.003 0.000 0.742 187 E HN 0.490 nan 8.360 nan 0.000 0.466 188 K N 0.250 120.623 120.400 -0.045 0.000 2.167 188 K HA -0.014 4.306 4.320 -0.000 0.000 0.203 188 K C 2.144 178.732 176.600 -0.020 0.000 1.052 188 K CA 0.460 56.733 56.287 -0.024 0.000 0.956 188 K CB 0.056 32.558 32.500 0.003 0.000 0.735 188 K HN 0.010 nan 8.250 nan 0.000 0.451 189 R N 0.723 121.212 120.500 -0.019 0.000 2.081 189 R HA -0.081 4.259 4.340 -0.000 0.000 0.235 189 R C 2.281 178.658 176.300 0.127 0.000 1.131 189 R CA 1.214 57.351 56.100 0.062 0.000 0.960 189 R CB -0.395 29.964 30.300 0.098 0.000 0.856 189 R HN 0.206 nan 8.270 nan 0.000 0.436 190 I N 0.518 121.043 120.570 -0.075 0.000 2.133 190 I HA -0.265 3.905 4.170 -0.000 0.000 0.238 190 I C 2.698 178.806 176.117 -0.016 0.000 1.074 190 I CA 1.851 63.093 61.300 -0.098 0.000 1.342 190 I CB -0.719 37.086 38.000 -0.326 0.000 1.053 190 I HN 0.307 nan 8.210 nan 0.000 0.404 191 T N -1.482 113.043 114.554 -0.048 0.000 2.708 191 T HA -0.155 4.195 4.350 -0.000 0.000 0.266 191 T C 1.677 176.377 174.700 0.000 0.000 1.037 191 T CA 1.162 63.247 62.100 -0.023 0.000 1.146 191 T CB -0.482 68.368 68.868 -0.029 0.000 0.865 191 T HN 0.351 nan 8.240 nan 0.000 0.435 192 E N 1.188 121.391 120.200 0.005 0.000 2.106 192 E HA 0.001 4.351 4.350 -0.000 0.000 0.192 192 E C 2.589 179.193 176.600 0.007 0.000 0.984 192 E CA 0.929 57.331 56.400 0.004 0.000 0.806 192 E CB -0.557 29.143 29.700 -0.001 0.000 0.750 192 E HN 0.703 nan 8.360 nan 0.000 0.458 193 G N 1.986 110.806 108.800 0.033 0.000 2.422 193 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.218 193 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.218 193 G C 1.570 176.492 174.900 0.036 0.000 1.146 193 G CA 0.836 45.943 45.100 0.011 0.000 0.769 193 G HN 0.147 nan 8.290 nan 0.000 0.547 194 K N 0.526 120.962 120.400 0.060 0.000 2.025 194 K HA 0.064 4.384 4.320 -0.000 0.000 0.207 194 K C 2.806 179.413 176.600 0.011 0.000 1.049 194 K CA 1.244 57.549 56.287 0.031 0.000 0.933 194 K CB -0.331 32.176 32.500 0.012 0.000 0.714 194 K HN 0.181 nan 8.250 nan 0.000 0.438 195 A N 1.104 123.930 122.820 0.009 0.000 1.908 195 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 195 A C 2.336 179.926 177.584 0.010 0.000 1.181 195 A CA 1.977 54.020 52.037 0.009 0.000 0.627 195 A CB -0.861 18.142 19.000 0.006 0.000 0.818 195 A HN 0.508 nan 8.150 nan 0.000 0.445 196 A N -0.332 122.489 122.820 0.001 0.000 1.902 196 A HA -0.031 4.289 4.320 -0.000 0.000 0.217 196 A C 2.144 179.728 177.584 -0.000 0.000 1.181 196 A CA 1.498 53.532 52.037 -0.005 0.000 0.623 196 A CB -0.590 18.397 19.000 -0.022 0.000 0.818 196 A HN 0.475 nan 8.150 nan 0.000 0.443 197 L N -0.904 120.318 121.223 -0.003 0.000 2.201 197 L HA -0.194 4.145 4.340 -0.000 0.000 0.212 197 L C 2.711 179.606 176.870 0.042 0.000 1.105 197 L CA 1.104 55.947 54.840 0.004 0.000 0.775 197 L CB -0.475 41.580 42.059 -0.007 0.000 0.913 197 L HN 0.492 nan 8.230 nan 0.000 0.440 198 Q N -0.268 119.558 119.800 0.042 0.000 2.297 198 Q HA -0.172 4.168 4.340 -0.000 0.000 0.204 198 Q C 1.887 177.969 176.000 0.137 0.000 0.962 198 Q CA 0.968 56.826 55.803 0.091 0.000 0.879 198 Q CB 0.098 28.868 28.738 0.053 0.000 0.947 198 Q HN 0.562 nan 8.270 nan 0.000 0.462 199 E N -0.131 120.113 120.200 0.073 0.000 2.072 199 E HA -0.113 4.236 4.350 -0.000 0.000 0.190 199 E C 1.970 178.598 176.600 0.047 0.000 0.982 199 E CA 1.003 57.433 56.400 0.050 0.000 0.803 199 E CB 0.205 29.918 29.700 0.022 0.000 0.755 199 E HN 0.110 nan 8.360 nan 0.000 0.453 200 V N 1.018 120.962 119.914 0.050 0.000 2.626 200 V HA -0.236 3.884 4.120 -0.000 0.000 0.252 200 V C 1.987 178.126 176.094 0.075 0.000 1.067 200 V CA 1.400 63.723 62.300 0.038 0.000 1.081 200 V CB -0.577 31.259 31.823 0.022 0.000 0.686 200 V HN 0.320 nan 8.190 nan 0.000 0.468 201 Y N 1.591 121.878 120.300 -0.021 0.000 2.293 201 Y HA -0.143 4.407 4.550 -0.000 0.000 0.291 201 Y C 2.415 178.307 175.900 -0.014 0.000 1.137 201 Y CA 1.435 59.525 58.100 -0.017 0.000 1.202 201 Y CB 0.011 38.463 38.460 -0.014 0.000 0.990 201 Y HN 0.344 nan 8.280 nan 0.000 0.537 202 E N 0.221 120.356 120.200 -0.109 0.000 2.021 202 E HA -0.186 4.164 4.350 -0.000 0.000 0.189 202 E C 2.084 178.598 176.600 -0.142 0.000 0.980 202 E CA 1.334 57.624 56.400 -0.183 0.000 0.803 202 E CB -0.697 28.962 29.700 -0.069 0.000 0.766 202 E HN 0.615 nan 8.360 nan 0.000 0.449 203 Q N 0.588 120.345 119.800 -0.072 0.000 2.112 203 Q HA -0.091 4.249 4.340 -0.000 0.000 0.206 203 Q C 0.631 176.592 176.000 -0.065 0.000 0.987 203 Q CA 1.622 57.392 55.803 -0.056 0.000 0.858 203 Q CB -0.127 28.593 28.738 -0.031 0.000 0.905 203 Q HN 0.290 nan 8.270 nan 0.000 0.420 204 T N -4.244 110.271 114.554 -0.065 0.000 2.937 204 T HA 0.479 4.829 4.350 -0.000 0.000 0.297 204 T C 0.790 175.447 174.700 -0.071 0.000 0.991 204 T CA -0.411 61.656 62.100 -0.056 0.000 0.990 204 T CB 1.722 70.577 68.868 -0.021 0.000 0.991 204 T HN 0.157 nan 8.240 nan 0.000 0.440 205 G N 1.962 110.702 108.800 -0.100 0.000 2.549 205 G HA2 -0.204 3.755 3.960 -0.000 0.000 0.222 205 G HA3 -0.204 3.755 3.960 -0.000 0.000 0.222 205 G C 0.658 175.619 174.900 0.101 0.000 1.100 205 G CA 0.636 45.675 45.100 -0.101 0.000 0.739 205 G HN 0.910 nan 8.290 nan 0.000 0.577 206 K N 0.730 121.178 120.400 0.080 0.000 2.472 206 K HA 0.083 4.403 4.320 -0.000 0.000 0.280 206 K C 0.164 176.863 176.600 0.164 0.000 1.028 206 K CA -0.149 56.196 56.287 0.097 0.000 1.045 206 K CB 0.344 32.868 32.500 0.040 0.000 0.902 206 K HN -0.048 nan 8.250 nan 0.000 0.478 207 R N 3.480 124.052 120.500 0.121 0.000 2.295 207 R HA 0.329 4.669 4.340 -0.000 0.000 0.324 207 R C -1.045 175.256 176.300 0.001 0.000 0.968 207 R CA -0.361 55.769 56.100 0.050 0.000 0.837 207 R CB 1.116 31.390 30.300 -0.044 0.000 1.133 207 R HN 0.813 nan 8.270 nan 0.000 0.450 208 T N 5.137 119.684 114.554 -0.012 0.000 2.823 208 T HA 0.488 4.838 4.350 -0.000 0.000 0.279 208 T C 0.255 174.938 174.700 -0.029 0.000 0.998 208 T CA -0.538 61.543 62.100 -0.032 0.000 0.994 208 T CB 1.368 70.208 68.868 -0.047 0.000 0.960 208 T HN 0.315 nan 8.240 nan 0.000 0.448 209 L N 2.579 123.785 121.223 -0.028 0.000 2.360 209 L HA 0.533 4.873 4.340 -0.000 0.000 0.271 209 L C -0.851 176.054 176.870 0.058 0.000 1.057 209 L CA -1.154 53.685 54.840 -0.002 0.000 0.803 209 L CB 0.743 42.789 42.059 -0.023 0.000 1.207 209 L HN 0.575 nan 8.230 nan 0.000 0.445 210 Y N 1.728 121.983 120.300 -0.076 0.000 2.326 210 Y HA 0.606 5.156 4.550 -0.000 0.000 0.331 210 Y C -0.420 175.448 175.900 -0.055 0.000 0.962 210 Y CA -1.816 56.253 58.100 -0.051 0.000 1.167 210 Y CB 1.476 39.932 38.460 -0.007 0.000 1.148 210 Y HN 0.536 nan 8.280 nan 0.000 0.463 211 A N 6.852 129.655 122.820 -0.028 0.000 2.294 211 A HA 0.558 4.878 4.320 -0.000 0.000 0.316 211 A C -1.035 176.341 177.584 -0.348 0.000 1.359 211 A CA -0.542 51.370 52.037 -0.209 0.000 0.956 211 A CB 0.038 18.929 19.000 -0.182 0.000 1.155 211 A HN 0.677 nan 8.150 nan 0.000 0.544 212 V N 3.721 123.306 119.914 -0.547 0.000 2.509 212 V HA 0.215 4.335 4.120 -0.000 0.000 0.284 212 V C 0.231 176.287 176.094 -0.062 0.000 1.047 212 V CA -0.783 61.225 62.300 -0.486 0.000 0.952 212 V CB 1.198 32.651 31.823 -0.617 0.000 0.988 212 V HN 0.916 nan 8.190 nan 0.000 0.469 213 N N 4.758 123.470 118.700 0.020 0.000 2.468 213 N HA 0.123 4.863 4.740 -0.000 0.000 0.265 213 N C -0.764 174.816 175.510 0.117 0.000 1.199 213 N CA 0.036 53.114 53.050 0.047 0.000 0.928 213 N CB 0.730 39.186 38.487 -0.051 0.000 1.059 213 N HN 0.631 nan 8.380 nan 0.000 0.467 214 L N 4.022 125.293 121.223 0.079 0.000 2.264 214 L HA 0.448 4.788 4.340 -0.000 0.000 0.287 214 L C 0.203 177.082 176.870 0.015 0.000 1.039 214 L CA -0.067 54.727 54.840 -0.076 0.000 0.829 214 L CB 0.314 42.323 42.059 -0.083 0.000 1.211 214 L HN 0.719 nan 8.230 nan 0.000 0.427 215 T N 1.295 115.824 114.554 -0.041 0.000 2.724 215 T HA 1.004 5.354 4.350 -0.000 0.000 0.274 215 T C 0.231 175.009 174.700 0.130 0.000 0.984 215 T CA -0.379 61.833 62.100 0.186 0.000 1.024 215 T CB 1.279 70.357 68.868 0.350 0.000 1.320 215 T HN 1.350 nan 8.240 nan 0.000 0.555 216 G N 0.324 109.268 108.800 0.240 0.000 2.549 216 G HA2 0.003 3.963 3.960 -0.000 0.000 0.404 216 G HA3 0.003 3.963 3.960 -0.000 0.000 0.404 216 G C -1.032 173.991 174.900 0.204 0.000 1.292 216 G CA -0.715 44.469 45.100 0.139 0.000 0.935 216 G HN 0.874 nan 8.290 nan 0.000 0.512 217 K N 0.116 120.594 120.400 0.130 0.000 2.382 217 K HA 0.362 4.682 4.320 -0.000 0.000 0.275 217 K C 1.825 178.529 176.600 0.172 0.000 1.009 217 K CA 0.352 56.734 56.287 0.160 0.000 0.970 217 K CB 0.502 33.075 32.500 0.122 0.000 0.934 217 K HN 0.546 nan 8.250 nan 0.000 0.479 218 T N 2.076 116.751 114.554 0.201 0.000 2.624 218 T HA -0.199 4.150 4.350 -0.000 0.000 0.268 218 T C 1.230 175.794 174.700 -0.227 0.000 1.041 218 T CA 1.695 63.797 62.100 0.003 0.000 1.159 218 T CB -0.271 68.534 68.868 -0.104 0.000 0.863 218 T HN 0.438 nan 8.240 nan 0.000 0.434 219 F N 0.866 120.844 119.950 0.048 0.000 2.805 219 F HA 0.334 4.861 4.527 -0.000 0.000 0.301 219 F C 2.003 177.799 175.800 -0.006 0.000 1.196 219 F CA 0.040 58.049 58.000 0.014 0.000 1.439 219 F CB -0.259 38.751 39.000 0.016 0.000 1.117 219 F HN 0.166 nan 8.300 nan 0.000 0.581 220 A N -1.008 121.855 122.820 0.072 0.000 2.382 220 A HA 0.256 4.576 4.320 -0.000 0.000 0.228 220 A C 1.906 179.454 177.584 -0.060 0.000 1.217 220 A CA -0.060 51.992 52.037 0.024 0.000 0.923 220 A CB -0.333 18.683 19.000 0.028 0.000 0.979 220 A HN 0.328 nan 8.150 nan 0.000 0.515 221 L N -0.176 120.977 121.223 -0.116 0.000 2.017 221 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 221 L C 2.467 179.221 176.870 -0.193 0.000 1.073 221 L CA 1.638 56.352 54.840 -0.211 0.000 0.745 221 L CB -0.413 41.456 42.059 -0.316 0.000 0.894 221 L HN 0.319 nan 8.230 nan 0.000 0.432 222 K N -0.114 120.195 120.400 -0.151 0.000 2.026 222 K HA -0.184 4.136 4.320 -0.000 0.000 0.208 222 K C 1.792 178.354 176.600 -0.063 0.000 1.048 222 K CA 1.666 57.886 56.287 -0.112 0.000 0.929 222 K CB -0.211 32.241 32.500 -0.080 0.000 0.713 222 K HN 0.297 nan 8.250 nan 0.000 0.439 223 D N 0.830 121.207 120.400 -0.037 0.000 2.104 223 D HA -0.159 4.481 4.640 -0.000 0.000 0.194 223 D C 1.754 178.057 176.300 0.004 0.000 0.994 223 D CA 1.355 55.350 54.000 -0.008 0.000 0.830 223 D CB -0.057 40.747 40.800 0.006 0.000 0.959 223 D HN 0.203 nan 8.370 nan 0.000 0.452 224 K N 0.693 121.076 120.400 -0.028 0.000 2.057 224 K HA -0.030 4.290 4.320 -0.000 0.000 0.207 224 K C 2.198 178.866 176.600 0.113 0.000 1.049 224 K CA 1.118 57.408 56.287 0.005 0.000 0.931 224 K CB -0.095 32.247 32.500 -0.263 0.000 0.714 224 K HN 0.021 nan 8.250 nan 0.000 0.440 225 A N 1.830 124.648 122.820 -0.003 0.000 1.933 225 A HA -0.205 4.115 4.320 -0.000 0.000 0.218 225 A C 2.056 179.665 177.584 0.042 0.000 1.175 225 A CA 1.584 53.636 52.037 0.025 0.000 0.628 225 A CB -0.333 18.614 19.000 -0.088 0.000 0.814 225 A HN 0.226 nan 8.150 nan 0.000 0.444 226 K N -0.930 119.482 120.400 0.020 0.000 2.057 226 K HA -0.129 4.191 4.320 -0.000 0.000 0.206 226 K C 2.239 178.862 176.600 0.038 0.000 1.050 226 K CA 0.878 57.176 56.287 0.019 0.000 0.935 226 K CB -0.120 32.385 32.500 0.007 0.000 0.715 226 K HN 0.204 nan 8.250 nan 0.000 0.439 227 R N 0.339 120.878 120.500 0.065 0.000 2.081 227 R HA -0.067 4.272 4.340 -0.000 0.000 0.235 227 R C 2.267 178.598 176.300 0.052 0.000 1.131 227 R CA 1.351 57.492 56.100 0.069 0.000 0.960 227 R CB -0.794 29.572 30.300 0.110 0.000 0.856 227 R HN 0.317 nan 8.270 nan 0.000 0.436 228 A N 1.079 123.958 122.820 0.098 0.000 1.908 228 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 228 A C 2.388 179.959 177.584 -0.023 0.000 1.181 228 A CA 1.999 54.034 52.037 -0.003 0.000 0.627 228 A CB -0.604 18.451 19.000 0.091 0.000 0.818 228 A HN 0.361 nan 8.150 nan 0.000 0.445 229 A N -0.182 122.644 122.820 0.010 0.000 1.902 229 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 229 A C 1.909 179.491 177.584 -0.004 0.000 1.181 229 A CA 1.645 53.685 52.037 0.004 0.000 0.623 229 A CB -0.572 18.439 19.000 0.019 0.000 0.818 229 A HN 0.648 nan 8.150 nan 0.000 0.443 230 E N -0.200 120.000 120.200 0.001 0.000 2.110 230 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 230 E C 1.592 178.184 176.600 -0.014 0.000 0.988 230 E CA 1.091 57.490 56.400 -0.002 0.000 0.804 230 E CB -0.280 29.423 29.700 0.004 0.000 0.745 230 E HN 0.616 nan 8.360 nan 0.000 0.458 231 L N -0.237 120.969 121.223 -0.028 0.000 2.610 231 L HA 0.093 4.433 4.340 -0.000 0.000 0.232 231 L C 1.146 177.986 176.870 -0.050 0.000 1.149 231 L CA 0.328 55.142 54.840 -0.044 0.000 0.872 231 L CB -0.082 41.933 42.059 -0.074 0.000 0.992 231 L HN 0.278 nan 8.230 nan 0.000 0.447 232 G N 0.450 109.224 108.800 -0.044 0.000 2.182 232 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.248 232 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.248 232 G C 0.351 175.214 174.900 -0.061 0.000 1.042 232 G CA -0.024 45.048 45.100 -0.045 0.000 0.775 232 G HN 0.490 nan 8.290 nan 0.000 0.501 233 A N -0.390 122.380 122.820 -0.083 0.000 2.483 233 A HA 0.521 4.841 4.320 -0.000 0.000 0.238 233 A C 1.296 178.826 177.584 -0.090 0.000 1.070 233 A CA 0.847 52.815 52.037 -0.114 0.000 0.770 233 A CB 0.378 19.283 19.000 -0.157 0.000 1.008 233 A HN 0.275 nan 8.150 nan 0.000 0.497 234 D N 0.149 120.494 120.400 -0.092 0.000 2.149 234 D HA 0.111 4.751 4.640 -0.000 0.000 0.206 234 D C 0.218 176.469 176.300 -0.082 0.000 0.967 234 D CA 1.536 55.488 54.000 -0.080 0.000 0.848 234 D CB 0.100 40.871 40.800 -0.048 0.000 0.998 234 D HN 0.268 nan 8.370 nan 0.000 0.474 235 V N 0.778 120.635 119.914 -0.095 0.000 3.012 235 V HA 0.316 4.436 4.120 -0.000 0.000 0.307 235 V C -0.727 175.318 176.094 -0.080 0.000 1.166 235 V CA -0.791 61.474 62.300 -0.059 0.000 0.974 235 V CB 2.963 34.730 31.823 -0.092 0.000 1.040 235 V HN -0.053 nan 8.190 nan 0.000 0.428 236 L N 4.063 125.279 121.223 -0.012 0.000 2.280 236 L HA 0.530 4.870 4.340 -0.000 0.000 0.287 236 L C -0.597 176.295 176.870 0.036 0.000 1.023 236 L CA -0.576 54.268 54.840 0.006 0.000 0.819 236 L CB 1.500 43.564 42.059 0.008 0.000 1.212 236 L HN 0.478 nan 8.230 nan 0.000 0.420 237 L N 4.187 125.429 121.223 0.032 0.000 2.331 237 L HA 0.471 4.811 4.340 -0.000 0.000 0.278 237 L C -1.093 175.892 176.870 0.192 0.000 1.106 237 L CA 0.427 55.313 54.840 0.076 0.000 0.824 237 L CB 0.777 42.855 42.059 0.032 0.000 1.142 237 L HN 0.373 nan 8.230 nan 0.000 0.443 238 F N 4.359 124.314 119.950 0.008 0.000 2.562 238 F HA 0.436 4.963 4.527 0.000 0.000 0.319 238 F C -0.070 175.768 175.800 0.063 0.000 1.154 238 F CA -1.006 56.986 58.000 -0.014 0.000 0.931 238 F CB 1.269 40.219 39.000 -0.082 0.000 1.198 238 F HN 0.593 nan 8.300 nan 0.000 0.444 239 N N 5.191 123.701 118.700 -0.317 0.000 3.178 239 N HA 0.059 4.799 4.740 -0.000 0.000 0.300 239 N C 1.403 176.625 175.510 -0.481 0.000 1.242 239 N CA -0.175 52.758 53.050 -0.195 0.000 1.192 239 N CB 0.718 39.203 38.487 -0.004 0.000 1.463 239 N HN 0.570 nan 8.380 nan 0.000 0.539 240 V N 0.785 120.254 119.914 -0.741 0.000 2.370 240 V HA -0.301 3.819 4.120 -0.000 0.000 0.252 240 V C 1.212 177.051 176.094 -0.425 0.000 1.068 240 V CA 1.968 63.814 62.300 -0.755 0.000 1.061 240 V CB -0.451 31.026 31.823 -0.576 0.000 0.656 240 V HN 0.489 nan 8.190 nan 0.000 0.455 241 F N 0.665 120.582 119.950 -0.055 0.000 2.451 241 F HA 0.131 4.659 4.527 0.000 0.000 0.299 241 F C 2.247 178.119 175.800 0.121 0.000 1.101 241 F CA 1.045 59.103 58.000 0.097 0.000 1.436 241 F CB -0.780 38.358 39.000 0.231 0.000 1.074 241 F HN 0.260 nan 8.300 nan 0.000 0.553 242 A N -1.928 120.928 122.820 0.060 0.000 2.178 242 A HA 0.083 4.403 4.320 -0.000 0.000 0.211 242 A C 1.057 178.397 177.584 -0.406 0.000 1.157 242 A CA 0.633 52.517 52.037 -0.254 0.000 0.780 242 A CB -0.458 18.336 19.000 -0.343 0.000 0.828 242 A HN 0.353 nan 8.150 nan 0.000 0.476 243 Y N -0.676 119.548 120.300 -0.127 0.000 2.793 243 Y HA 0.540 5.090 4.550 0.000 0.000 0.166 243 Y C 1.341 177.237 175.900 -0.006 0.000 0.919 243 Y CA 0.263 58.325 58.100 -0.063 0.000 1.564 243 Y CB -0.060 38.379 38.460 -0.035 0.000 1.125 243 Y HN 0.236 nan 8.280 nan 0.000 0.432 244 G N -1.169 107.744 108.800 0.188 0.000 2.616 244 G HA2 0.325 4.285 3.960 -0.000 0.000 0.294 244 G HA3 0.325 4.285 3.960 -0.000 0.000 0.294 244 G C -0.446 174.480 174.900 0.043 0.000 1.489 244 G CA -0.728 44.442 45.100 0.117 0.000 0.836 244 G HN 0.322 nan 8.290 nan 0.000 0.527 245 L N 0.066 121.276 121.223 -0.021 0.000 2.079 245 L HA -0.095 4.244 4.340 -0.000 0.000 0.210 245 L C 2.441 179.309 176.870 -0.004 0.000 1.081 245 L CA 1.965 56.754 54.840 -0.084 0.000 0.752 245 L CB -0.084 41.920 42.059 -0.091 0.000 0.896 245 L HN 0.746 nan 8.230 nan 0.000 0.433 246 D N -0.380 120.048 120.400 0.045 0.000 2.178 246 D HA -0.152 4.488 4.640 -0.000 0.000 0.201 246 D C 2.070 178.378 176.300 0.013 0.000 0.980 246 D CA 0.789 54.818 54.000 0.049 0.000 0.842 246 D CB 0.233 41.076 40.800 0.072 0.000 0.948 246 D HN 0.038 nan 8.370 nan 0.000 0.472 247 V N 0.420 120.353 119.914 0.032 0.000 2.427 247 V HA -0.162 3.958 4.120 -0.000 0.000 0.248 247 V C 2.370 178.427 176.094 -0.063 0.000 1.051 247 V CA 1.285 63.578 62.300 -0.011 0.000 1.048 247 V CB -0.517 31.359 31.823 0.089 0.000 0.666 247 V HN 0.315 nan 8.190 nan 0.000 0.456 248 L N 0.303 121.557 121.223 0.052 0.000 2.046 248 L HA -0.207 4.133 4.340 -0.000 0.000 0.208 248 L C 2.438 179.255 176.870 -0.088 0.000 1.077 248 L CA 2.264 57.099 54.840 -0.009 0.000 0.747 248 L CB -0.917 41.177 42.059 0.059 0.000 0.896 248 L HN 0.390 nan 8.230 nan 0.000 0.432 249 Q N -0.748 119.018 119.800 -0.056 0.000 2.084 249 Q HA -0.211 4.129 4.340 -0.000 0.000 0.202 249 Q C 2.126 178.075 176.000 -0.085 0.000 0.978 249 Q CA 1.825 57.594 55.803 -0.057 0.000 0.844 249 Q CB -0.207 28.529 28.738 -0.003 0.000 0.898 249 Q HN 0.681 nan 8.270 nan 0.000 0.426 250 A N 0.654 123.416 122.820 -0.096 0.000 1.902 250 A HA -0.160 4.160 4.320 -0.000 0.000 0.217 250 A C 2.026 179.524 177.584 -0.143 0.000 1.181 250 A CA 1.204 53.173 52.037 -0.113 0.000 0.623 250 A CB -0.664 18.263 19.000 -0.121 0.000 0.818 250 A HN 0.445 nan 8.150 nan 0.000 0.443 251 L N -1.060 120.044 121.223 -0.199 0.000 2.056 251 L HA -0.172 4.167 4.340 -0.000 0.000 0.207 251 L C 2.748 179.529 176.870 -0.148 0.000 1.078 251 L CA 1.680 56.386 54.840 -0.224 0.000 0.749 251 L CB -0.446 41.389 42.059 -0.375 0.000 0.901 251 L HN 0.444 nan 8.230 nan 0.000 0.433 252 R N 1.020 121.443 120.500 -0.128 0.000 2.096 252 R HA -0.169 4.171 4.340 -0.000 0.000 0.235 252 R C 1.831 178.073 176.300 -0.097 0.000 1.127 252 R CA 1.637 57.680 56.100 -0.096 0.000 0.968 252 R CB -0.354 29.892 30.300 -0.090 0.000 0.861 252 R HN 0.389 nan 8.270 nan 0.000 0.440 253 E N 0.287 120.428 120.200 -0.098 0.000 2.481 253 E HA -0.050 4.300 4.350 -0.000 0.000 0.195 253 E C -0.327 176.224 176.600 -0.082 0.000 1.047 253 E CA 0.106 56.450 56.400 -0.093 0.000 0.867 253 E CB -0.006 29.637 29.700 -0.096 0.000 0.858 253 E HN 0.303 nan 8.360 nan 0.000 0.513 254 D N 1.615 121.967 120.400 -0.081 0.000 2.344 254 D HA -0.032 4.608 4.640 -0.000 0.000 0.253 254 D C 0.736 177.004 176.300 -0.054 0.000 1.255 254 D CA 0.099 54.059 54.000 -0.066 0.000 0.894 254 D CB 0.782 41.540 40.800 -0.071 0.000 1.067 254 D HN -0.079 nan 8.370 nan 0.000 0.492 255 E N 2.730 122.901 120.200 -0.048 0.000 2.333 255 E HA -0.144 4.206 4.350 -0.000 0.000 0.198 255 E C 0.897 177.484 176.600 -0.022 0.000 1.007 255 E CA 0.642 57.019 56.400 -0.039 0.000 0.845 255 E CB 0.238 29.915 29.700 -0.038 0.000 0.766 255 E HN 0.692 nan 8.360 nan 0.000 0.507 256 E N -0.226 119.962 120.200 -0.021 0.000 2.502 256 E HA 0.060 4.410 4.350 -0.000 0.000 0.194 256 E C 1.605 178.202 176.600 -0.004 0.000 1.062 256 E CA 0.024 56.418 56.400 -0.010 0.000 0.867 256 E CB 0.324 30.017 29.700 -0.012 0.000 0.888 256 E HN 0.275 nan 8.360 nan 0.000 0.510 257 I N 0.309 120.873 120.570 -0.009 0.000 3.325 257 I HA 0.087 4.257 4.170 -0.000 0.000 0.237 257 I C 0.991 177.131 176.117 0.038 0.000 1.068 257 I CA 0.231 61.532 61.300 0.001 0.000 1.511 257 I CB -0.094 37.888 38.000 -0.029 0.000 1.409 257 I HN -0.089 nan 8.210 nan 0.000 0.464 258 A N 1.660 124.507 122.820 0.044 0.000 2.560 258 A HA -0.124 4.196 4.320 -0.000 0.000 0.299 258 A C -0.218 177.537 177.584 0.284 0.000 1.484 258 A CA 0.335 52.441 52.037 0.116 0.000 0.749 258 A CB -2.170 16.877 19.000 0.079 0.000 1.072 258 A HN 0.193 nan 8.150 nan 0.000 0.426 259 V N 0.128 120.194 119.914 0.253 0.000 2.735 259 V HA 0.523 4.643 4.120 -0.000 0.000 0.310 259 V C -2.106 174.152 176.094 0.272 0.000 1.061 259 V CA -1.863 60.554 62.300 0.195 0.000 0.913 259 V CB 2.036 33.898 31.823 0.065 0.000 1.005 259 V HN 0.343 nan 8.190 nan 0.000 0.428 260 P HA 0.195 nan 4.420 nan 0.000 0.266 260 P C -0.839 176.604 177.300 0.239 0.000 1.193 260 P CA 0.387 63.621 63.100 0.223 0.000 0.770 260 P CB 0.394 32.138 31.700 0.073 0.000 0.836 261 I N 2.560 123.302 120.570 0.287 0.000 2.436 261 I HA 0.408 4.578 4.170 -0.000 0.000 0.289 261 I C 0.060 176.390 176.117 0.355 0.000 1.010 261 I CA -0.668 60.765 61.300 0.221 0.000 1.098 261 I CB 1.653 39.723 38.000 0.117 0.000 1.266 261 I HN 0.240 nan 8.210 nan 0.000 0.434 262 M N 6.346 126.101 119.600 0.259 0.000 2.066 262 M HA 0.631 5.111 4.480 -0.000 0.000 0.340 262 M C -0.590 175.823 176.300 0.188 0.000 1.053 262 M CA -0.410 55.023 55.300 0.221 0.000 0.983 262 M CB 1.117 33.636 32.600 -0.135 0.000 1.520 262 M HN 0.705 nan 8.290 nan 0.000 0.428 263 A N 4.555 127.494 122.820 0.198 0.000 2.320 263 A HA 0.311 4.630 4.320 -0.000 0.000 0.287 263 A C -0.831 176.844 177.584 0.151 0.000 1.181 263 A CA -0.393 51.733 52.037 0.148 0.000 0.831 263 A CB 0.140 19.188 19.000 0.079 0.000 1.102 263 A HN 0.903 nan 8.150 nan 0.000 0.513 264 H N 4.599 123.719 119.070 0.083 0.000 2.467 264 H HA 0.321 4.877 4.556 -0.000 0.000 0.331 264 H C -1.885 173.582 175.328 0.232 0.000 1.120 264 H CA -1.713 54.403 56.048 0.113 0.000 1.270 264 H CB 2.086 31.891 29.762 0.071 0.000 1.466 264 H HN 0.434 nan 8.280 nan 0.000 0.504 265 P HA 0.028 nan 4.420 nan 0.000 0.245 265 P C 0.015 177.495 177.300 0.300 0.000 1.212 265 P CA 0.005 63.229 63.100 0.207 0.000 0.774 265 P CB -0.041 31.664 31.700 0.007 0.000 0.999 266 A N 0.146 123.319 122.820 0.588 0.000 2.580 266 A HA 0.056 4.376 4.320 -0.000 0.000 0.244 266 A C 0.592 178.441 177.584 0.442 0.000 1.045 266 A CA 0.249 52.556 52.037 0.450 0.000 0.761 266 A CB -1.390 17.816 19.000 0.343 0.000 0.962 266 A HN 0.289 nan 8.150 nan 0.000 0.512 267 F N 1.325 121.355 119.950 0.133 0.000 2.619 267 F HA -0.345 4.181 4.527 -0.001 0.000 0.425 267 F C 1.956 177.765 175.800 0.015 0.000 0.575 267 F CA 2.087 60.148 58.000 0.101 0.000 1.289 267 F CB -1.750 37.345 39.000 0.158 0.000 1.859 267 F HN 0.861 nan 8.300 nan 0.000 0.280 268 S N -0.320 115.243 115.700 -0.229 0.000 2.419 268 S HA 0.024 4.494 4.470 -0.000 0.000 0.233 268 S C 2.199 176.635 174.600 -0.273 0.000 1.016 268 S CA 1.117 58.986 58.200 -0.552 0.000 0.974 268 S CB -1.002 61.607 63.200 -0.986 0.000 0.786 268 S HN 0.844 nan 8.310 nan 0.000 0.492 269 G N 0.855 109.526 108.800 -0.214 0.000 2.559 269 G HA2 0.207 4.167 3.960 -0.000 0.000 0.216 269 G HA3 0.207 4.167 3.960 -0.000 0.000 0.216 269 G C 1.394 176.160 174.900 -0.225 0.000 1.126 269 G CA 0.447 45.450 45.100 -0.162 0.000 0.778 269 G HN 0.758 nan 8.290 nan 0.000 0.543 270 A N -0.336 122.234 122.820 -0.416 0.000 2.119 270 A HA 0.344 4.664 4.320 -0.000 0.000 0.216 270 A C 2.192 179.596 177.584 -0.300 0.000 1.152 270 A CA 1.284 53.054 52.037 -0.445 0.000 0.708 270 A CB 0.098 18.527 19.000 -0.952 0.000 0.805 270 A HN 0.243 nan 8.150 nan 0.000 0.460 271 V N -0.921 118.821 119.914 -0.287 0.000 3.307 271 V HA -0.055 4.064 4.120 -0.000 0.000 0.244 271 V C 2.587 178.542 176.094 -0.232 0.000 1.196 271 V CA 1.787 63.919 62.300 -0.281 0.000 1.132 271 V CB 0.045 31.564 31.823 -0.508 0.000 0.875 271 V HN 0.732 nan 8.190 nan 0.000 0.468 272 T N -1.277 113.173 114.554 -0.174 0.000 3.009 272 T HA 0.053 4.403 4.350 -0.000 0.000 0.258 272 T C 0.280 174.931 174.700 -0.082 0.000 1.063 272 T CA 0.800 62.832 62.100 -0.114 0.000 1.139 272 T CB -1.090 67.746 68.868 -0.052 0.000 0.890 272 T HN 0.438 nan 8.240 nan 0.000 0.471 273 P HA 0.053 nan 4.420 nan 0.000 0.220 273 P C 0.938 178.188 177.300 -0.083 0.000 1.148 273 P CA 0.616 63.675 63.100 -0.068 0.000 0.803 273 P CB -0.162 31.503 31.700 -0.057 0.000 0.782 274 S N 0.052 115.721 115.700 -0.053 0.000 2.568 274 S HA -0.040 4.430 4.470 -0.000 0.000 0.282 274 S C 1.337 175.801 174.600 -0.228 0.000 1.338 274 S CA -0.273 57.885 58.200 -0.071 0.000 1.045 274 S CB 0.505 63.785 63.200 0.134 0.000 0.873 274 S HN 0.215 nan 8.310 nan 0.000 0.516 275 E N 2.257 122.148 120.200 -0.514 0.000 2.299 275 E HA -0.012 4.337 4.350 -0.000 0.000 0.193 275 E C 0.363 176.474 176.600 -0.814 0.000 0.998 275 E CA 0.822 56.778 56.400 -0.740 0.000 0.851 275 E CB -0.000 29.045 29.700 -1.092 0.000 0.795 275 E HN 0.822 nan 8.360 nan 0.000 0.492 276 F N -1.261 118.480 119.950 -0.349 0.000 2.727 276 F HA 0.285 4.811 4.527 -0.000 0.000 0.302 276 F C 0.004 175.436 175.800 -0.613 0.000 1.107 276 F CA -0.377 57.241 58.000 -0.636 0.000 1.277 276 F CB 0.259 38.640 39.000 -1.032 0.000 1.079 276 F HN -0.114 nan 8.300 nan 0.000 0.594 277 Y N -0.624 119.793 120.300 0.195 0.000 2.773 277 Y HA 0.727 5.277 4.550 -0.001 0.000 0.323 277 Y C 0.940 176.906 175.900 0.110 0.000 1.183 277 Y CA -1.534 56.678 58.100 0.187 0.000 1.144 277 Y CB 0.325 38.883 38.460 0.164 0.000 1.340 277 Y HN 0.067 nan 8.280 nan 0.000 0.531 278 G N -0.342 108.673 108.800 0.359 0.000 2.593 278 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.237 278 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.237 278 G C -1.697 173.164 174.900 -0.064 0.000 1.312 278 G CA -0.433 44.751 45.100 0.140 0.000 0.896 278 G HN 0.871 nan 8.290 nan 0.000 0.574 279 V N 0.510 120.268 119.914 -0.260 0.000 2.656 279 V HA 0.746 4.866 4.120 -0.000 0.000 0.307 279 V C 0.894 176.867 176.094 -0.201 0.000 1.051 279 V CA -0.138 61.952 62.300 -0.349 0.000 0.893 279 V CB 1.238 32.733 31.823 -0.546 0.000 0.999 279 V HN 2.186 nan 8.190 nan 0.000 0.426 280 A N 6.706 129.444 122.820 -0.137 0.000 2.511 280 A HA 0.430 4.750 4.320 -0.000 0.000 0.242 280 A C -0.794 176.795 177.584 0.008 0.000 1.069 280 A CA -0.746 51.249 52.037 -0.070 0.000 0.763 280 A CB 0.013 18.968 19.000 -0.076 0.000 1.001 280 A HN 0.724 nan 8.150 nan 0.000 0.498 281 P HA -0.219 nan 4.420 nan 0.000 0.218 281 P C 1.527 178.855 177.300 0.047 0.000 1.148 281 P CA 1.983 65.122 63.100 0.064 0.000 0.822 281 P CB -0.111 31.600 31.700 0.018 0.000 0.784 282 S N -0.611 115.087 115.700 -0.004 0.000 2.400 282 S HA -0.157 4.313 4.470 -0.000 0.000 0.232 282 S C 1.990 176.606 174.600 0.028 0.000 1.025 282 S CA 1.163 59.348 58.200 -0.025 0.000 0.993 282 S CB -1.477 61.698 63.200 -0.042 0.000 0.808 282 S HN 0.069 nan 8.310 nan 0.000 0.478 283 L N 0.290 121.553 121.223 0.067 0.000 2.130 283 L HA 0.336 4.676 4.340 -0.000 0.000 0.200 283 L C 2.280 179.308 176.870 0.263 0.000 1.075 283 L CA 1.248 56.162 54.840 0.123 0.000 0.768 283 L CB -0.931 41.172 42.059 0.074 0.000 0.933 283 L HN 0.515 nan 8.230 nan 0.000 0.451 284 W N -0.396 120.930 121.300 0.042 0.000 2.381 284 W HA -0.177 4.484 4.660 0.000 0.000 0.301 284 W C 1.924 178.598 176.519 0.258 0.000 1.205 284 W CA 1.267 58.694 57.345 0.137 0.000 1.285 284 W CB 0.248 29.743 29.460 0.058 0.000 1.133 284 W HN 0.172 nan 8.180 nan 0.000 0.521 285 L N -1.051 120.328 121.223 0.261 0.000 2.408 285 L HA 0.179 4.519 4.340 -0.000 0.000 0.215 285 L C 2.328 179.256 176.870 0.097 0.000 1.081 285 L CA 0.814 55.773 54.840 0.199 0.000 0.840 285 L CB -0.669 41.480 42.059 0.150 0.000 1.002 285 L HN -0.077 nan 8.230 nan 0.000 0.468 286 G N -0.288 108.544 108.800 0.053 0.000 2.680 286 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.224 286 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.224 286 G C 1.328 176.253 174.900 0.041 0.000 1.454 286 G CA 0.208 45.314 45.100 0.010 0.000 0.900 286 G HN 0.034 nan 8.290 nan 0.000 0.570 287 K N -0.057 120.383 120.400 0.067 0.000 2.044 287 K HA -0.026 4.294 4.320 -0.000 0.000 0.210 287 K C 2.567 179.222 176.600 0.092 0.000 1.049 287 K CA 1.355 57.706 56.287 0.108 0.000 0.927 287 K CB -0.356 32.228 32.500 0.140 0.000 0.713 287 K HN 0.295 nan 8.250 nan 0.000 0.443 288 L N 0.747 122.024 121.223 0.089 0.000 2.093 288 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 288 L C 2.390 179.207 176.870 -0.089 0.000 1.085 288 L CA 0.750 55.602 54.840 0.020 0.000 0.755 288 L CB -0.306 41.797 42.059 0.074 0.000 0.904 288 L HN 0.252 nan 8.230 nan 0.000 0.435 289 L N -0.497 120.679 121.223 -0.079 0.000 2.093 289 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 289 L C 2.816 179.624 176.870 -0.104 0.000 1.085 289 L CA 1.005 55.777 54.840 -0.113 0.000 0.755 289 L CB -0.508 41.509 42.059 -0.070 0.000 0.904 289 L HN 0.293 nan 8.230 nan 0.000 0.435 290 R N 0.935 121.385 120.500 -0.082 0.000 2.073 290 R HA -0.195 4.145 4.340 -0.000 0.000 0.234 290 R C 2.423 178.530 176.300 -0.322 0.000 1.134 290 R CA 1.452 57.487 56.100 -0.110 0.000 0.952 290 R CB -0.303 29.985 30.300 -0.020 0.000 0.850 290 R HN 0.304 nan 8.270 nan 0.000 0.433 291 L N 0.453 121.411 121.223 -0.442 0.000 2.083 291 L HA -0.094 4.246 4.340 -0.000 0.000 0.209 291 L C 2.310 178.844 176.870 -0.560 0.000 1.083 291 L CA 1.802 56.101 54.840 -0.902 0.000 0.752 291 L CB -0.348 41.377 42.059 -0.557 0.000 0.899 291 L HN 0.312 nan 8.230 nan 0.000 0.433 292 A N -0.804 121.835 122.820 -0.300 0.000 2.015 292 A HA 0.146 4.466 4.320 -0.000 0.000 0.219 292 A C 1.712 179.210 177.584 -0.143 0.000 1.163 292 A CA 1.160 53.096 52.037 -0.168 0.000 0.646 292 A CB -0.502 18.418 19.000 -0.133 0.000 0.806 292 A HN 0.762 nan 8.150 nan 0.000 0.448 293 G N -2.965 105.738 108.800 -0.161 0.000 2.200 293 G HA2 0.286 4.246 3.960 -0.000 0.000 0.145 293 G HA3 0.286 4.246 3.960 -0.000 0.000 0.145 293 G C 0.176 175.052 174.900 -0.040 0.000 1.021 293 G CA -0.003 45.034 45.100 -0.106 0.000 0.720 293 G HN 1.323 nan 8.290 nan 0.000 0.494 294 A N 0.460 123.266 122.820 -0.024 0.000 2.409 294 A HA 0.581 4.901 4.320 -0.000 0.000 0.267 294 A C 1.038 178.661 177.584 0.065 0.000 1.127 294 A CA 0.529 52.598 52.037 0.054 0.000 0.795 294 A CB 0.345 19.384 19.000 0.064 0.000 1.061 294 A HN 0.174 nan 8.150 nan 0.000 0.502 295 D N 1.215 121.680 120.400 0.109 0.000 2.249 295 D HA 0.095 4.735 4.640 -0.000 0.000 0.205 295 D C -0.475 175.736 176.300 -0.148 0.000 0.962 295 D CA 1.394 55.376 54.000 -0.031 0.000 0.860 295 D CB 0.157 40.925 40.800 -0.054 0.000 0.955 295 D HN 0.568 nan 8.370 nan 0.000 0.505 296 F N -0.023 120.017 119.950 0.151 0.000 2.565 296 F HA 0.421 4.948 4.527 -0.000 0.000 0.313 296 F C -0.256 175.619 175.800 0.125 0.000 1.091 296 F CA -1.073 57.023 58.000 0.160 0.000 0.915 296 F CB 2.386 41.438 39.000 0.088 0.000 1.208 296 F HN -0.455 nan 8.300 nan 0.000 0.453 297 V N 4.170 124.288 119.914 0.341 0.000 2.482 297 V HA 0.366 4.486 4.120 -0.000 0.000 0.295 297 V C -0.846 175.406 176.094 0.263 0.000 1.026 297 V CA -0.575 61.887 62.300 0.270 0.000 0.856 297 V CB 1.662 33.637 31.823 0.252 0.000 1.001 297 V HN 0.467 nan 8.190 nan 0.000 0.424 298 L N 6.814 128.107 121.223 0.117 0.000 2.292 298 L HA 0.702 5.042 4.340 -0.000 0.000 0.284 298 L C -0.361 176.521 176.870 0.020 0.000 1.065 298 L CA 0.310 55.105 54.840 -0.075 0.000 0.806 298 L CB 0.778 42.710 42.059 -0.210 0.000 1.175 298 L HN 0.652 nan 8.230 nan 0.000 0.431 299 F N 1.447 121.349 119.950 -0.081 0.000 2.645 299 F HA 0.736 5.263 4.527 -0.001 0.000 0.310 299 F C -2.826 172.930 175.800 -0.073 0.000 1.102 299 F CA -3.144 54.821 58.000 -0.058 0.000 0.952 299 F CB 0.666 39.656 39.000 -0.018 0.000 1.326 299 F HN 0.195 nan 8.300 nan 0.000 0.456 300 P HA 0.088 nan 4.420 nan 0.000 0.260 300 P C -0.293 177.041 177.300 0.057 0.000 1.185 300 P CA 0.246 63.376 63.100 0.050 0.000 0.763 300 P CB 0.636 32.381 31.700 0.077 0.000 0.776 301 S N 5.258 120.898 115.700 -0.099 0.000 2.600 301 S HA 0.299 4.769 4.470 -0.000 0.000 0.265 301 S C -1.715 172.780 174.600 -0.174 0.000 1.325 301 S CA -1.012 57.098 58.200 -0.150 0.000 1.002 301 S CB 0.252 63.394 63.200 -0.098 0.000 0.921 301 S HN 0.330 nan 8.310 nan 0.000 0.554 302 P HA 0.258 nan 4.420 nan 0.000 0.249 302 P C -1.283 175.730 177.300 -0.479 0.000 1.583 302 P CA -0.034 62.816 63.100 -0.416 0.000 0.988 302 P CB -0.556 30.925 31.700 -0.365 0.000 1.530 303 Y N -0.525 119.830 120.300 0.092 0.000 2.545 303 Y HA 0.633 5.183 4.550 -0.000 0.000 0.348 303 Y C 1.150 177.086 175.900 0.060 0.000 1.002 303 Y CA -0.629 57.517 58.100 0.077 0.000 1.039 303 Y CB 1.253 39.761 38.460 0.080 0.000 1.271 303 Y HN 0.188 nan 8.280 nan 0.000 0.467 304 G N 0.263 109.199 108.800 0.226 0.000 2.698 304 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.225 304 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.225 304 G C 0.792 175.743 174.900 0.084 0.000 1.345 304 G CA -0.155 45.026 45.100 0.134 0.000 0.871 304 G HN 1.269 nan 8.290 nan 0.000 0.540 305 S N -1.551 114.186 115.700 0.060 0.000 2.387 305 S HA -0.065 4.405 4.470 -0.000 0.000 0.230 305 S C 1.888 176.508 174.600 0.035 0.000 1.035 305 S CA 3.034 61.260 58.200 0.043 0.000 1.014 305 S CB -0.403 62.819 63.200 0.036 0.000 0.836 305 S HN 2.225 nan 8.310 nan 0.000 0.466 306 V N -1.745 118.190 119.914 0.034 0.000 2.854 306 V HA 0.805 4.924 4.120 -0.000 0.000 0.366 306 V C 0.401 176.506 176.094 0.018 0.000 1.322 306 V CA -0.948 61.365 62.300 0.022 0.000 1.243 306 V CB -0.853 30.982 31.823 0.019 0.000 1.337 306 V HN 0.562 nan 8.190 nan 0.000 0.585 307 A N 1.456 124.291 122.820 0.024 0.000 2.565 307 A HA 0.452 4.772 4.320 -0.000 0.000 0.237 307 A C -0.150 177.431 177.584 -0.005 0.000 1.053 307 A CA 0.108 52.149 52.037 0.007 0.000 0.755 307 A CB 0.262 19.273 19.000 0.018 0.000 0.980 307 A HN 0.905 nan 8.150 nan 0.000 0.506 308 L N 1.906 123.123 121.223 -0.010 0.000 2.371 308 L HA 0.260 4.600 4.340 -0.000 0.000 0.272 308 L C 0.807 177.669 176.870 -0.013 0.000 1.124 308 L CA -0.189 54.653 54.840 0.002 0.000 0.816 308 L CB 0.727 42.812 42.059 0.043 0.000 1.129 308 L HN 0.793 nan 8.230 nan 0.000 0.448 309 E N 4.058 124.248 120.200 -0.017 0.000 2.608 309 E HA -0.172 4.178 4.350 -0.000 0.000 0.259 309 E C 1.007 177.594 176.600 -0.023 0.000 0.951 309 E CA 0.473 56.859 56.400 -0.023 0.000 0.945 309 E CB 0.509 30.191 29.700 -0.030 0.000 0.916 309 E HN 0.758 nan 8.360 nan 0.000 0.477 310 R N 3.920 124.401 120.500 -0.032 0.000 2.133 310 R HA -0.228 4.112 4.340 -0.000 0.000 0.245 310 R C 1.591 177.865 176.300 -0.043 0.000 1.137 310 R CA 2.181 58.254 56.100 -0.044 0.000 0.947 310 R CB 0.021 30.296 30.300 -0.043 0.000 0.865 310 R HN 0.533 nan 8.270 nan 0.000 0.437 311 E N 0.157 120.333 120.200 -0.041 0.000 2.153 311 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 311 E C 2.086 178.663 176.600 -0.039 0.000 0.988 311 E CA 0.943 57.316 56.400 -0.045 0.000 0.811 311 E CB -0.092 29.583 29.700 -0.041 0.000 0.746 311 E HN 0.485 nan 8.360 nan 0.000 0.466 312 Q N 0.224 120.006 119.800 -0.030 0.000 2.050 312 Q HA -0.063 4.277 4.340 -0.000 0.000 0.202 312 Q C 2.214 178.198 176.000 -0.025 0.000 0.980 312 Q CA 1.381 57.165 55.803 -0.031 0.000 0.840 312 Q CB -0.478 28.246 28.738 -0.023 0.000 0.898 312 Q HN 0.258 nan 8.270 nan 0.000 0.424 313 A N 1.052 123.891 122.820 0.032 0.000 1.908 313 A HA -0.148 4.172 4.320 -0.000 0.000 0.218 313 A C 2.274 179.939 177.584 0.134 0.000 1.181 313 A CA 1.217 53.340 52.037 0.143 0.000 0.627 313 A CB -0.784 18.411 19.000 0.325 0.000 0.818 313 A HN 0.316 nan 8.150 nan 0.000 0.445 314 L N -0.786 120.465 121.223 0.046 0.000 2.083 314 L HA -0.113 4.227 4.340 -0.000 0.000 0.209 314 L C 2.808 179.667 176.870 -0.019 0.000 1.083 314 L CA 0.977 55.808 54.840 -0.015 0.000 0.752 314 L CB -0.859 41.129 42.059 -0.117 0.000 0.899 314 L HN 0.502 nan 8.230 nan 0.000 0.433 315 G N 0.427 109.198 108.800 -0.048 0.000 2.422 315 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.218 315 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.218 315 G C 1.594 176.438 174.900 -0.094 0.000 1.146 315 G CA 0.601 45.665 45.100 -0.060 0.000 0.769 315 G HN 0.265 nan 8.290 nan 0.000 0.547 316 I N 1.299 121.759 120.570 -0.184 0.000 2.142 316 I HA -0.171 3.999 4.170 -0.000 0.000 0.240 316 I C 3.319 179.267 176.117 -0.282 0.000 1.078 316 I CA 1.026 62.129 61.300 -0.328 0.000 1.343 316 I CB -0.300 37.253 38.000 -0.746 0.000 1.046 316 I HN 0.242 nan 8.210 nan 0.000 0.405 317 A N 0.814 123.505 122.820 -0.215 0.000 1.908 317 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 317 A C 2.412 180.025 177.584 0.049 0.000 1.181 317 A CA 1.519 53.577 52.037 0.035 0.000 0.627 317 A CB -0.599 18.642 19.000 0.400 0.000 0.818 317 A HN 0.317 nan 8.150 nan 0.000 0.445 318 R N -0.720 119.794 120.500 0.022 0.000 2.081 318 R HA -0.099 4.241 4.340 -0.000 0.000 0.235 318 R C 2.496 178.803 176.300 0.013 0.000 1.131 318 R CA 1.224 57.334 56.100 0.017 0.000 0.960 318 R CB -0.500 29.799 30.300 -0.002 0.000 0.856 318 R HN 0.525 nan 8.270 nan 0.000 0.436 319 A N 1.206 124.024 122.820 -0.004 0.000 1.933 319 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 319 A C 2.167 179.774 177.584 0.038 0.000 1.175 319 A CA 1.143 53.190 52.037 0.017 0.000 0.628 319 A CB -0.450 18.552 19.000 0.004 0.000 0.814 319 A HN 0.182 nan 8.150 nan 0.000 0.444 320 L N -0.528 120.708 121.223 0.021 0.000 2.156 320 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 320 L C 2.547 179.440 176.870 0.038 0.000 1.095 320 L CA 1.682 56.545 54.840 0.039 0.000 0.770 320 L CB -0.352 41.737 42.059 0.051 0.000 0.914 320 L HN 0.655 nan 8.230 nan 0.000 0.439 321 T N -5.957 108.617 114.554 0.033 0.000 2.985 321 T HA 0.034 4.383 4.350 -0.000 0.000 0.254 321 T C 0.632 175.342 174.700 0.016 0.000 1.021 321 T CA -0.450 61.658 62.100 0.013 0.000 0.957 321 T CB -0.102 68.772 68.868 0.009 0.000 1.047 321 T HN -0.011 nan 8.240 nan 0.000 0.511 322 D N 4.142 124.559 120.400 0.028 0.000 2.554 322 D HA -0.028 4.612 4.640 -0.000 0.000 0.251 322 D C 0.531 176.844 176.300 0.021 0.000 1.213 322 D CA 0.152 54.166 54.000 0.022 0.000 0.900 322 D CB 0.587 41.405 40.800 0.029 0.000 1.135 322 D HN 0.513 nan 8.370 nan 0.000 0.522 323 D N 2.360 122.763 120.400 0.005 0.000 2.324 323 D HA -0.107 4.533 4.640 -0.000 0.000 0.235 323 D C 0.899 177.194 176.300 -0.009 0.000 1.095 323 D CA 0.290 54.288 54.000 -0.003 0.000 0.871 323 D CB 0.112 40.904 40.800 -0.013 0.000 0.906 323 D HN 0.319 nan 8.370 nan 0.000 0.522 324 Q N 0.021 119.818 119.800 -0.005 0.000 2.432 324 Q HA 0.050 4.390 4.340 -0.000 0.000 0.205 324 Q C 0.170 176.153 176.000 -0.027 0.000 0.945 324 Q CA 0.522 56.317 55.803 -0.014 0.000 0.924 324 Q CB 0.398 29.132 28.738 -0.007 0.000 1.016 324 Q HN 0.468 nan 8.270 nan 0.000 0.503 325 E N 1.557 121.745 120.200 -0.019 0.000 2.313 325 E HA 0.107 4.457 4.350 -0.000 0.000 0.272 325 E C -1.791 174.700 176.600 -0.182 0.000 1.038 325 E CA -1.917 54.441 56.400 -0.069 0.000 0.863 325 E CB 0.793 30.533 29.700 0.067 0.000 1.060 325 E HN -0.012 nan 8.360 nan 0.000 0.402 326 P HA 0.100 nan 4.420 nan 0.000 0.258 326 P C -0.677 176.353 177.300 -0.450 0.000 1.403 326 P CA 0.284 63.123 63.100 -0.435 0.000 0.826 326 P CB -0.069 31.343 31.700 -0.480 0.000 1.414 327 F N 0.521 120.481 119.950 0.017 0.000 2.538 327 F HA 0.611 5.138 4.527 -0.000 0.000 0.325 327 F C 0.897 176.688 175.800 -0.015 0.000 1.066 327 F CA -1.892 56.109 58.000 0.002 0.000 0.946 327 F CB 0.608 39.617 39.000 0.015 0.000 1.199 327 F HN -0.164 nan 8.300 nan 0.000 0.473 328 A N 1.884 124.810 122.820 0.177 0.000 2.406 328 A HA 0.440 4.760 4.320 -0.000 0.000 0.243 328 A C 0.361 177.976 177.584 0.052 0.000 1.082 328 A CA -0.511 51.564 52.037 0.063 0.000 0.786 328 A CB 0.169 19.180 19.000 0.017 0.000 1.029 328 A HN 0.807 nan 8.150 nan 0.000 0.495 329 R N 0.146 120.638 120.500 -0.012 0.000 2.438 329 R HA 0.432 4.772 4.340 -0.000 0.000 0.287 329 R C 0.118 176.368 176.300 -0.083 0.000 1.077 329 R CA 0.303 56.377 56.100 -0.043 0.000 1.034 329 R CB 0.843 31.083 30.300 -0.099 0.000 0.993 329 R HN 0.777 nan 8.270 nan 0.000 0.459 330 A N 3.287 126.080 122.820 -0.045 0.000 2.312 330 A HA 0.377 4.697 4.320 -0.000 0.000 0.326 330 A C -0.662 176.917 177.584 -0.008 0.000 1.172 330 A CA -0.597 51.423 52.037 -0.028 0.000 0.821 330 A CB 0.442 19.463 19.000 0.034 0.000 1.166 330 A HN 0.701 nan 8.150 nan 0.000 0.493 331 F N 2.647 122.564 119.950 -0.054 0.000 2.506 331 F HA 0.274 4.801 4.527 -0.000 0.000 0.371 331 F C -1.889 173.982 175.800 0.117 0.000 1.078 331 F CA -1.218 56.785 58.000 0.006 0.000 1.195 331 F CB 1.118 40.087 39.000 -0.052 0.000 1.099 331 F HN 0.323 nan 8.300 nan 0.000 0.548 332 P HA 0.158 nan 4.420 nan 0.000 0.286 332 P C -1.099 176.333 177.300 0.220 0.000 1.269 332 P CA -0.144 63.208 63.100 0.420 0.000 0.787 332 P CB 1.346 33.278 31.700 0.386 0.000 0.920 333 V N 5.647 125.563 119.914 0.003 0.000 2.383 333 V HA 0.237 4.357 4.120 -0.000 0.000 0.264 333 V C -2.207 173.368 176.094 -0.864 0.000 1.001 333 V CA -1.964 60.145 62.300 -0.320 0.000 0.828 333 V CB 1.173 32.899 31.823 -0.161 0.000 1.069 333 V HN 0.504 nan 8.190 nan 0.000 0.451 334 P HA 0.189 nan 4.420 nan 0.000 0.267 334 P C -0.224 176.716 177.300 -0.600 0.000 1.209 334 P CA 0.547 62.907 63.100 -1.233 0.000 0.763 334 P CB 1.048 32.206 31.700 -0.903 0.000 0.816 335 S N 1.600 117.005 115.700 -0.490 0.000 2.542 335 S HA 0.781 5.251 4.470 -0.000 0.000 0.293 335 S C -0.598 173.923 174.600 -0.132 0.000 1.089 335 S CA -0.008 58.035 58.200 -0.262 0.000 0.961 335 S CB 1.727 64.771 63.200 -0.260 0.000 1.062 335 S HN 0.814 nan 8.310 nan 0.000 0.483 336 A N 0.393 123.173 122.820 -0.068 0.000 2.435 336 A HA 0.411 4.730 4.320 -0.000 0.000 0.686 336 A C 0.855 178.467 177.584 0.047 0.000 0.138 336 A CA 0.077 52.108 52.037 -0.010 0.000 0.024 336 A CB -1.525 17.471 19.000 -0.005 0.000 3.974 336 A HN 2.552 nan 8.150 nan 0.000 0.548 337 G N -0.333 108.501 108.800 0.056 0.000 2.179 337 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.257 337 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.257 337 G C 0.081 175.069 174.900 0.147 0.000 1.010 337 G CA 0.587 45.751 45.100 0.107 0.000 0.736 337 G HN 1.918 nan 8.290 nan 0.000 0.513 338 I N 1.981 122.599 120.570 0.079 0.000 2.385 338 I HA 0.525 4.695 4.170 -0.000 0.000 0.294 338 I C 0.616 176.796 176.117 0.106 0.000 0.988 338 I CA -0.690 60.647 61.300 0.061 0.000 1.265 338 I CB 0.945 38.945 38.000 0.001 0.000 1.388 338 I HN 0.477 nan 8.210 nan 0.000 0.480 339 H N 6.175 125.228 119.070 -0.028 0.000 3.064 339 H HA 0.320 4.876 4.556 -0.000 0.000 0.352 339 H C -2.822 172.400 175.328 -0.177 0.000 1.260 339 H CA -1.641 54.296 56.048 -0.184 0.000 1.160 339 H CB 1.495 30.960 29.762 -0.494 0.000 1.879 339 H HN 0.172 nan 8.280 nan 0.000 0.544 340 P HA -0.182 nan 4.420 nan 0.000 0.218 340 P C 1.409 178.557 177.300 -0.254 0.000 1.150 340 P CA 2.314 65.062 63.100 -0.585 0.000 0.841 340 P CB -0.511 30.802 31.700 -0.645 0.000 0.784 341 G N -0.621 108.089 108.800 -0.150 0.000 2.559 341 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.216 341 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.216 341 G C 1.496 176.214 174.900 -0.303 0.000 1.126 341 G CA 0.064 45.110 45.100 -0.089 0.000 0.778 341 G HN 0.284 nan 8.290 nan 0.000 0.543 342 L N 0.091 120.949 121.223 -0.607 0.000 2.616 342 L HA 0.140 4.480 4.340 -0.000 0.000 0.229 342 L C 2.510 179.201 176.870 -0.299 0.000 1.110 342 L CA -0.197 54.332 54.840 -0.518 0.000 0.884 342 L CB 0.373 41.985 42.059 -0.746 0.000 1.115 342 L HN 0.027 nan 8.230 nan 0.000 0.481 343 V N 1.168 120.977 119.914 -0.174 0.000 2.278 343 V HA -0.229 3.891 4.120 -0.000 0.000 0.251 343 V C -0.276 175.797 176.094 -0.035 0.000 1.062 343 V CA 2.186 64.456 62.300 -0.050 0.000 1.038 343 V CB -1.448 30.385 31.823 0.017 0.000 0.646 343 V HN 0.353 nan 8.190 nan 0.000 0.447 344 P HA -0.144 nan 4.420 nan 0.000 0.215 344 P C 1.891 179.184 177.300 -0.011 0.000 1.153 344 P CA 1.168 64.258 63.100 -0.018 0.000 0.853 344 P CB -0.059 31.628 31.700 -0.022 0.000 0.788 345 L N -0.931 120.259 121.223 -0.056 0.000 2.109 345 L HA -0.068 4.272 4.340 -0.000 0.000 0.207 345 L C 2.123 179.026 176.870 0.055 0.000 1.086 345 L CA 1.553 56.374 54.840 -0.031 0.000 0.760 345 L CB -1.134 40.857 42.059 -0.113 0.000 0.910 345 L HN -0.120 nan 8.230 nan 0.000 0.437 346 I N -0.734 119.852 120.570 0.026 0.000 2.163 346 I HA -0.349 3.821 4.170 -0.000 0.000 0.243 346 I C 2.370 178.668 176.117 0.301 0.000 1.085 346 I CA 1.695 63.149 61.300 0.257 0.000 1.347 346 I CB -0.333 37.748 38.000 0.136 0.000 1.044 346 I HN 0.207 nan 8.210 nan 0.000 0.408 347 I N 0.247 120.914 120.570 0.162 0.000 2.286 347 I HA -0.278 3.891 4.170 -0.000 0.000 0.248 347 I C 2.782 178.972 176.117 0.121 0.000 1.115 347 I CA 1.188 62.576 61.300 0.147 0.000 1.392 347 I CB -0.454 37.601 38.000 0.092 0.000 1.065 347 I HN 0.224 nan 8.210 nan 0.000 0.418 348 R N 1.037 121.587 120.500 0.084 0.000 2.075 348 R HA -0.173 4.167 4.340 -0.000 0.000 0.232 348 R C 1.830 178.138 176.300 0.015 0.000 1.126 348 R CA 1.795 57.922 56.100 0.045 0.000 0.963 348 R CB -0.071 30.247 30.300 0.030 0.000 0.858 348 R HN 0.288 nan 8.270 nan 0.000 0.435 349 D N -0.497 119.908 120.400 0.007 0.000 2.103 349 D HA -0.123 4.517 4.640 -0.000 0.000 0.199 349 D C 1.353 177.422 176.300 -0.386 0.000 0.978 349 D CA 1.335 55.206 54.000 -0.216 0.000 0.829 349 D CB -0.027 40.592 40.800 -0.302 0.000 0.981 349 D HN 0.263 nan 8.370 nan 0.000 0.464 350 F N -0.077 119.950 119.950 0.128 0.000 2.720 350 F HA 0.343 4.870 4.527 -0.001 0.000 0.301 350 F C 1.543 177.404 175.800 0.102 0.000 1.103 350 F CA 0.338 58.415 58.000 0.128 0.000 1.291 350 F CB 0.526 39.631 39.000 0.175 0.000 1.086 350 F HN -0.032 nan 8.300 nan 0.000 0.592 351 G N 0.587 109.514 108.800 0.213 0.000 2.728 351 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.294 351 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.294 351 G C 0.479 175.474 174.900 0.159 0.000 1.342 351 G CA -0.343 44.846 45.100 0.148 0.000 0.866 351 G HN 0.126 nan 8.290 nan 0.000 0.534 352 L N -0.252 121.040 121.223 0.115 0.000 2.217 352 L HA 0.099 4.439 4.340 -0.000 0.000 0.211 352 L C 1.051 178.012 176.870 0.151 0.000 1.107 352 L CA 0.931 55.839 54.840 0.113 0.000 0.783 352 L CB -0.188 41.916 42.059 0.075 0.000 0.919 352 L HN 0.397 nan 8.230 nan 0.000 0.442 353 D N 0.753 121.237 120.400 0.140 0.000 2.741 353 D HA 0.147 4.787 4.640 -0.000 0.000 0.233 353 D C 0.192 176.681 176.300 0.315 0.000 1.160 353 D CA 0.380 54.476 54.000 0.160 0.000 1.003 353 D CB 0.538 41.306 40.800 -0.054 0.000 1.064 353 D HN 0.004 nan 8.370 nan 0.000 0.503 354 T N -0.388 114.417 114.554 0.418 0.000 2.841 354 T HA 0.619 4.969 4.350 -0.000 0.000 0.296 354 T C -1.191 173.615 174.700 0.177 0.000 1.166 354 T CA -0.599 61.711 62.100 0.349 0.000 1.007 354 T CB 1.251 70.249 68.868 0.216 0.000 1.253 354 T HN -0.003 nan 8.240 nan 0.000 0.511 355 I N 2.390 122.955 120.570 -0.009 0.000 2.465 355 I HA 0.434 4.604 4.170 -0.000 0.000 0.291 355 I C -0.401 175.617 176.117 -0.166 0.000 1.014 355 I CA -1.152 60.045 61.300 -0.171 0.000 1.093 355 I CB 2.182 40.007 38.000 -0.292 0.000 1.267 355 I HN 0.305 nan 8.210 nan 0.000 0.431 356 V N 5.474 125.288 119.914 -0.168 0.000 2.405 356 V HA 0.099 4.219 4.120 -0.000 0.000 0.264 356 V C 0.349 176.249 176.094 -0.323 0.000 1.048 356 V CA -0.307 61.873 62.300 -0.200 0.000 0.966 356 V CB 0.697 32.425 31.823 -0.157 0.000 1.015 356 V HN 0.604 nan 8.190 nan 0.000 0.477 357 N N 4.520 123.038 118.700 -0.304 0.000 2.521 357 N HA 0.300 5.040 4.740 -0.000 0.000 0.236 357 N C 0.855 176.134 175.510 -0.384 0.000 1.067 357 N CA 0.102 52.958 53.050 -0.324 0.000 0.939 357 N CB 1.622 39.954 38.487 -0.258 0.000 1.201 357 N HN 0.695 nan 8.380 nan 0.000 0.511 358 A N 2.738 125.203 122.820 -0.592 0.000 2.121 358 A HA 0.244 4.564 4.320 -0.000 0.000 0.218 358 A C 1.377 178.792 177.584 -0.281 0.000 1.154 358 A CA 0.950 52.580 52.037 -0.679 0.000 0.679 358 A CB -1.019 17.363 19.000 -1.029 0.000 0.795 358 A HN 0.901 nan 8.150 nan 0.000 0.458 359 G N -1.432 107.231 108.800 -0.229 0.000 2.578 359 G HA2 -0.096 3.864 3.960 -0.000 0.000 0.275 359 G HA3 -0.096 3.864 3.960 -0.000 0.000 0.275 359 G C 1.109 175.977 174.900 -0.053 0.000 1.271 359 G CA 0.139 45.173 45.100 -0.110 0.000 0.941 359 G HN 1.289 nan 8.290 nan 0.000 0.564 360 G N 0.036 108.860 108.800 0.040 0.000 2.813 360 G HA2 0.367 4.327 3.960 -0.000 0.000 0.209 360 G HA3 0.367 4.327 3.960 -0.000 0.000 0.209 360 G C 1.653 176.657 174.900 0.173 0.000 1.150 360 G CA 1.384 46.587 45.100 0.171 0.000 0.785 360 G HN 1.694 nan 8.290 nan 0.000 0.535 361 G N 1.028 109.861 108.800 0.055 0.000 2.471 361 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.219 361 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.219 361 G C 1.599 176.542 174.900 0.071 0.000 1.125 361 G CA 0.503 45.629 45.100 0.043 0.000 0.775 361 G HN 0.452 nan 8.290 nan 0.000 0.548 362 I N 0.054 120.615 120.570 -0.015 0.000 2.530 362 I HA -0.198 3.972 4.170 -0.000 0.000 0.257 362 I C 2.096 178.172 176.117 -0.069 0.000 1.179 362 I CA 1.019 62.299 61.300 -0.034 0.000 1.440 362 I CB 0.004 37.851 38.000 -0.255 0.000 1.087 362 I HN 0.243 nan 8.210 nan 0.000 0.440 363 H N -0.384 118.764 119.070 0.131 0.000 2.548 363 H HA 0.121 4.676 4.556 -0.000 0.000 0.268 363 H C 1.979 177.420 175.328 0.188 0.000 0.975 363 H CA 0.932 57.059 56.048 0.132 0.000 1.195 363 H CB -0.142 29.676 29.762 0.093 0.000 1.397 363 H HN 0.436 nan 8.280 nan 0.000 0.572 364 G N 0.205 109.202 108.800 0.328 0.000 3.026 364 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.208 364 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.208 364 G C 0.509 175.664 174.900 0.424 0.000 1.169 364 G CA -0.207 45.106 45.100 0.355 0.000 0.788 364 G HN 0.342 nan 8.290 nan 0.000 0.533 365 H N 1.061 120.324 119.070 0.322 0.000 2.610 365 H HA 0.163 4.719 4.556 -0.000 0.000 0.336 365 H C -1.485 173.893 175.328 0.084 0.000 1.087 365 H CA -1.616 54.571 56.048 0.232 0.000 1.405 365 H CB 1.988 31.881 29.762 0.219 0.000 1.460 365 H HN -0.099 nan 8.280 nan 0.000 0.538 366 P HA -0.179 nan 4.420 nan 0.000 0.219 366 P C 0.137 177.471 177.300 0.056 0.000 1.151 366 P CA 1.579 64.566 63.100 -0.189 0.000 0.850 366 P CB 0.293 31.776 31.700 -0.362 0.000 0.784 367 D N -1.342 119.266 120.400 0.348 0.000 2.615 367 D HA 0.273 4.913 4.640 -0.000 0.000 0.236 367 D C 1.195 177.619 176.300 0.206 0.000 1.233 367 D CA 0.422 54.579 54.000 0.262 0.000 0.829 367 D CB 0.210 41.154 40.800 0.240 0.000 1.024 367 D HN 0.086 nan 8.370 nan 0.000 0.490 368 G N 1.245 110.177 108.800 0.220 0.000 2.645 368 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.239 368 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.239 368 G C 1.040 176.014 174.900 0.124 0.000 1.331 368 G CA -0.106 45.094 45.100 0.167 0.000 0.890 368 G HN 0.307 nan 8.290 nan 0.000 0.572 369 A N -0.835 122.033 122.820 0.080 0.000 1.930 369 A HA 0.161 4.481 4.320 -0.000 0.000 0.217 369 A C 2.616 180.156 177.584 -0.074 0.000 1.175 369 A CA 2.260 54.265 52.037 -0.053 0.000 0.627 369 A CB -0.388 18.569 19.000 -0.073 0.000 0.815 369 A HN 0.940 nan 8.150 nan 0.000 0.443 370 I N -0.336 120.207 120.570 -0.045 0.000 2.163 370 I HA -0.232 3.938 4.170 -0.000 0.000 0.243 370 I C 2.705 178.752 176.117 -0.116 0.000 1.085 370 I CA 1.294 62.557 61.300 -0.063 0.000 1.347 370 I CB -0.684 37.295 38.000 -0.035 0.000 1.044 370 I HN 0.407 nan 8.210 nan 0.000 0.408 371 G N 0.352 109.057 108.800 -0.158 0.000 2.402 371 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.216 371 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.216 371 G C 1.714 176.153 174.900 -0.768 0.000 1.162 371 G CA 0.772 45.620 45.100 -0.420 0.000 0.777 371 G HN 0.497 nan 8.290 nan 0.000 0.539 372 G N 0.793 109.300 108.800 -0.488 0.000 2.418 372 G HA2 0.053 4.013 3.960 -0.000 0.000 0.217 372 G HA3 0.053 4.013 3.960 -0.000 0.000 0.217 372 G C 1.754 176.670 174.900 0.027 0.000 1.158 372 G CA 1.368 46.367 45.100 -0.168 0.000 0.771 372 G HN 0.572 nan 8.290 nan 0.000 0.545 373 G N 0.380 109.169 108.800 -0.019 0.000 2.402 373 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.216 373 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.216 373 G C 1.941 176.859 174.900 0.030 0.000 1.162 373 G CA 0.678 45.797 45.100 0.032 0.000 0.777 373 G HN 0.432 nan 8.290 nan 0.000 0.539 374 R N 0.460 120.927 120.500 -0.054 0.000 2.096 374 R HA 0.053 4.393 4.340 -0.000 0.000 0.235 374 R C 2.992 179.269 176.300 -0.038 0.000 1.127 374 R CA 1.045 57.117 56.100 -0.048 0.000 0.968 374 R CB -0.299 29.955 30.300 -0.076 0.000 0.861 374 R HN 0.351 nan 8.270 nan 0.000 0.440 375 A N 0.588 123.354 122.820 -0.090 0.000 1.902 375 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 375 A C 1.855 179.386 177.584 -0.089 0.000 1.181 375 A CA 1.179 53.161 52.037 -0.092 0.000 0.623 375 A CB -0.544 18.390 19.000 -0.111 0.000 0.818 375 A HN 0.187 nan 8.150 nan 0.000 0.443 376 F N -0.082 119.851 119.950 -0.028 0.000 2.113 376 F HA -0.100 4.427 4.527 -0.000 0.000 0.297 376 F C 2.610 178.388 175.800 -0.036 0.000 1.103 376 F CA 1.436 59.414 58.000 -0.036 0.000 1.248 376 F CB -0.179 38.783 39.000 -0.065 0.000 0.999 376 F HN 0.058 nan 8.300 nan 0.000 0.475 377 R N 0.229 120.819 120.500 0.150 0.000 2.081 377 R HA -0.092 4.248 4.340 -0.000 0.000 0.235 377 R C 2.332 178.661 176.300 0.048 0.000 1.131 377 R CA 1.236 57.380 56.100 0.074 0.000 0.960 377 R CB -1.431 28.892 30.300 0.038 0.000 0.856 377 R HN 0.313 nan 8.270 nan 0.000 0.436 378 A N 1.047 123.885 122.820 0.030 0.000 1.902 378 A HA -0.052 4.268 4.320 -0.000 0.000 0.217 378 A C 2.385 179.979 177.584 0.016 0.000 1.181 378 A CA 1.767 53.813 52.037 0.015 0.000 0.623 378 A CB -0.547 18.454 19.000 0.001 0.000 0.818 378 A HN 0.337 nan 8.150 nan 0.000 0.443 379 A N -0.063 122.765 122.820 0.014 0.000 1.902 379 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 379 A C 2.127 179.729 177.584 0.031 0.000 1.181 379 A CA 1.528 53.570 52.037 0.009 0.000 0.623 379 A CB -0.578 18.410 19.000 -0.020 0.000 0.818 379 A HN 0.501 nan 8.150 nan 0.000 0.443 380 I N -0.205 120.398 120.570 0.055 0.000 2.202 380 I HA -0.225 3.945 4.170 -0.000 0.000 0.242 380 I C 1.908 178.049 176.117 0.040 0.000 1.091 380 I CA 1.467 62.799 61.300 0.053 0.000 1.368 380 I CB -0.499 37.538 38.000 0.061 0.000 1.058 380 I HN 0.240 nan 8.210 nan 0.000 0.410 381 D N 1.193 121.614 120.400 0.035 0.000 2.123 381 D HA -0.181 4.459 4.640 -0.000 0.000 0.196 381 D C 2.243 178.557 176.300 0.024 0.000 0.992 381 D CA 1.641 55.657 54.000 0.028 0.000 0.833 381 D CB -0.236 40.578 40.800 0.024 0.000 0.954 381 D HN 0.359 nan 8.370 nan 0.000 0.455 382 A N 0.646 123.478 122.820 0.020 0.000 1.883 382 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 382 A C 2.575 180.169 177.584 0.017 0.000 1.186 382 A CA 1.508 53.554 52.037 0.015 0.000 0.624 382 A CB -0.814 18.192 19.000 0.010 0.000 0.822 382 A HN 0.160 nan 8.150 nan 0.000 0.444 383 V N -0.434 119.492 119.914 0.020 0.000 2.343 383 V HA -0.232 3.888 4.120 -0.000 0.000 0.247 383 V C 2.463 178.572 176.094 0.026 0.000 1.051 383 V CA 1.920 64.233 62.300 0.022 0.000 1.036 383 V CB -0.771 31.069 31.823 0.028 0.000 0.654 383 V HN 0.477 nan 8.190 nan 0.000 0.451 384 L N 0.317 121.558 121.223 0.030 0.000 2.201 384 L HA 0.017 4.357 4.340 -0.000 0.000 0.212 384 L C 2.287 179.172 176.870 0.025 0.000 1.105 384 L CA 1.901 56.759 54.840 0.031 0.000 0.775 384 L CB -0.926 41.155 42.059 0.035 0.000 0.913 384 L HN 0.301 nan 8.230 nan 0.000 0.440 385 A N -0.869 121.964 122.820 0.022 0.000 2.251 385 A HA 0.422 4.742 4.320 -0.000 0.000 0.209 385 A C 1.556 179.150 177.584 0.016 0.000 1.187 385 A CA 0.489 52.537 52.037 0.018 0.000 0.823 385 A CB -0.800 18.209 19.000 0.016 0.000 0.846 385 A HN 0.429 nan 8.150 nan 0.000 0.486 386 G N 0.094 108.904 108.800 0.016 0.000 2.314 386 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.292 386 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.292 386 G C -0.044 174.863 174.900 0.012 0.000 1.059 386 G CA 0.448 45.557 45.100 0.014 0.000 0.982 386 G HN 0.708 nan 8.290 nan 0.000 0.505 387 R N -0.463 120.044 120.500 0.011 0.000 2.744 387 R HA 0.530 4.870 4.340 -0.000 0.000 0.279 387 R C -2.830 173.475 176.300 0.008 0.000 0.977 387 R CA -2.076 54.030 56.100 0.009 0.000 0.906 387 R CB 1.899 32.205 30.300 0.009 0.000 1.197 387 R HN 0.073 nan 8.270 nan 0.000 0.463 388 P HA 0.114 nan 4.420 nan 0.000 0.275 388 P C 0.629 177.931 177.300 0.004 0.000 1.227 388 P CA -0.264 62.839 63.100 0.005 0.000 0.781 388 P CB 0.699 32.402 31.700 0.005 0.000 0.906 389 L N 1.982 123.206 121.223 0.002 0.000 2.043 389 L HA -0.234 4.106 4.340 -0.000 0.000 0.212 389 L C 2.319 179.190 176.870 0.002 0.000 1.075 389 L CA 1.780 56.620 54.840 0.000 0.000 0.752 389 L CB -0.546 41.512 42.059 -0.003 0.000 0.891 389 L HN 0.441 nan 8.230 nan 0.000 0.432 390 R N -0.169 120.333 120.500 0.003 0.000 2.120 390 R HA -0.138 4.202 4.340 -0.000 0.000 0.234 390 R C 2.429 178.730 176.300 0.001 0.000 1.123 390 R CA 1.215 57.316 56.100 0.002 0.000 0.975 390 R CB -0.475 29.827 30.300 0.002 0.000 0.866 390 R HN 0.380 nan 8.270 nan 0.000 0.446 391 A N 1.327 124.148 122.820 0.002 0.000 1.877 391 A HA -0.089 4.231 4.320 -0.000 0.000 0.216 391 A C 2.366 179.951 177.584 0.002 0.000 1.186 391 A CA 1.663 53.701 52.037 0.002 0.000 0.620 391 A CB -0.621 18.381 19.000 0.003 0.000 0.822 391 A HN 0.382 nan 8.150 nan 0.000 0.443 392 A N -0.437 122.385 122.820 0.003 0.000 1.968 392 A HA 0.287 4.607 4.320 -0.000 0.000 0.217 392 A C 2.418 180.003 177.584 0.002 0.000 1.169 392 A CA 1.683 53.722 52.037 0.003 0.000 0.638 392 A CB -0.807 18.195 19.000 0.004 0.000 0.812 392 A HN 0.988 nan 8.150 nan 0.000 0.446 393 A N -0.002 122.818 122.820 0.001 0.000 1.969 393 A HA 0.217 4.537 4.320 -0.000 0.000 0.218 393 A C 2.331 179.915 177.584 -0.001 0.000 1.169 393 A CA 1.633 53.670 52.037 0.001 0.000 0.635 393 A CB -0.833 18.167 19.000 -0.000 0.000 0.810 393 A HN 1.058 nan 8.150 nan 0.000 0.445 394 A N -0.471 122.348 122.820 -0.002 0.000 2.225 394 A HA -0.056 4.264 4.320 -0.000 0.000 0.215 394 A C 1.492 179.075 177.584 -0.002 0.000 1.164 394 A CA 1.420 53.456 52.037 -0.003 0.000 0.710 394 A CB -0.333 18.665 19.000 -0.003 0.000 0.780 394 A HN 0.669 nan 8.150 nan 0.000 0.473 395 E N -1.252 118.948 120.200 -0.000 0.000 2.601 395 E HA 0.096 4.446 4.350 -0.000 0.000 0.219 395 E C -0.296 176.304 176.600 0.001 0.000 0.964 395 E CA -0.273 56.127 56.400 0.000 0.000 1.050 395 E CB 0.397 30.097 29.700 0.001 0.000 1.068 395 E HN 0.414 nan 8.360 nan 0.000 0.496 396 N N 1.735 120.436 118.700 0.002 0.000 2.577 396 N HA 0.001 4.741 4.740 -0.000 0.000 0.275 396 N C 0.566 176.081 175.510 0.009 0.000 1.091 396 N CA 0.127 53.179 53.050 0.004 0.000 0.843 396 N CB 1.286 39.775 38.487 0.003 0.000 1.295 396 N HN 0.119 nan 8.380 nan 0.000 0.530 397 E N 2.846 123.053 120.200 0.011 0.000 2.051 397 E HA -0.177 4.173 4.350 -0.000 0.000 0.192 397 E C 1.530 178.159 176.600 0.049 0.000 0.991 397 E CA 1.343 57.754 56.400 0.019 0.000 0.799 397 E CB -0.178 29.532 29.700 0.016 0.000 0.748 397 E HN 0.491 nan 8.360 nan 0.000 0.449 398 A N 1.717 124.570 122.820 0.054 0.000 1.892 398 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 398 A C 2.289 179.963 177.584 0.150 0.000 1.188 398 A CA 1.796 53.889 52.037 0.093 0.000 0.631 398 A CB -0.765 18.210 19.000 -0.042 0.000 0.822 398 A HN 0.339 nan 8.150 nan 0.000 0.447 399 L N -0.834 120.421 121.223 0.054 0.000 2.156 399 L HA -0.104 4.236 4.340 -0.000 0.000 0.208 399 L C 2.397 179.290 176.870 0.038 0.000 1.095 399 L CA 2.505 57.367 54.840 0.037 0.000 0.770 399 L CB -0.669 41.392 42.059 0.003 0.000 0.914 399 L HN 0.487 nan 8.230 nan 0.000 0.439 400 Q N -0.133 119.682 119.800 0.025 0.000 2.050 400 Q HA -0.205 4.135 4.340 -0.000 0.000 0.202 400 Q C 2.107 178.086 176.000 -0.034 0.000 0.980 400 Q CA 1.826 57.627 55.803 -0.004 0.000 0.840 400 Q CB -0.129 28.605 28.738 -0.008 0.000 0.898 400 Q HN 0.322 nan 8.270 nan 0.000 0.424 401 K N 0.210 120.592 120.400 -0.030 0.000 2.044 401 K HA -0.137 4.183 4.320 -0.000 0.000 0.210 401 K C 2.035 178.478 176.600 -0.262 0.000 1.049 401 K CA 1.454 57.647 56.287 -0.157 0.000 0.927 401 K CB -0.950 31.429 32.500 -0.202 0.000 0.713 401 K HN 0.327 nan 8.250 nan 0.000 0.443 402 A N 1.967 124.725 122.820 -0.104 0.000 1.865 402 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 402 A C 2.221 179.784 177.584 -0.035 0.000 1.191 402 A CA 1.511 53.514 52.037 -0.057 0.000 0.623 402 A CB -0.497 18.669 19.000 0.277 0.000 0.826 402 A HN 0.144 nan 8.150 nan 0.000 0.444 403 I N 0.737 121.313 120.570 0.011 0.000 2.208 403 I HA -0.220 3.949 4.170 -0.000 0.000 0.245 403 I C 1.778 177.870 176.117 -0.042 0.000 1.097 403 I CA 1.629 62.946 61.300 0.028 0.000 1.363 403 I CB -1.621 36.388 38.000 0.015 0.000 1.051 403 I HN 0.331 nan 8.210 nan 0.000 0.413 404 D N 0.235 120.567 120.400 -0.112 0.000 2.144 404 D HA -0.196 4.444 4.640 -0.000 0.000 0.199 404 D C 2.313 178.482 176.300 -0.217 0.000 0.984 404 D CA 1.028 54.944 54.000 -0.139 0.000 0.834 404 D CB -0.129 40.583 40.800 -0.146 0.000 0.955 404 D HN 0.362 nan 8.370 nan 0.000 0.465 405 R N -0.604 119.659 120.500 -0.395 0.000 2.100 405 R HA -0.052 4.288 4.340 -0.000 0.000 0.220 405 R C 1.369 177.322 176.300 -0.579 0.000 1.091 405 R CA 0.828 56.545 56.100 -0.639 0.000 0.986 405 R CB 0.154 29.757 30.300 -1.161 0.000 0.888 405 R HN 0.169 nan 8.270 nan 0.000 0.444 406 W N 0.115 121.363 121.300 -0.087 0.000 2.868 406 W HA 0.414 5.073 4.660 -0.001 0.000 0.320 406 W C 0.564 177.027 176.519 -0.093 0.000 1.076 406 W CA 0.489 57.742 57.345 -0.153 0.000 1.576 406 W CB 0.004 29.316 29.460 -0.247 0.000 1.030 406 W HN 0.351 nan 8.180 nan 0.000 0.558 407 G N 1.069 109.955 108.800 0.143 0.000 2.741 407 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.222 407 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.222 407 G C -1.225 173.780 174.900 0.176 0.000 1.364 407 G CA -0.439 44.733 45.100 0.119 0.000 0.866 407 G HN -0.032 nan 8.290 nan 0.000 0.555 408 V N -0.344 119.641 119.914 0.120 0.000 2.588 408 V HA 0.591 4.711 4.120 -0.000 0.000 0.304 408 V C 0.501 176.641 176.094 0.077 0.000 1.042 408 V CA -0.741 61.613 62.300 0.091 0.000 0.877 408 V CB 1.753 33.603 31.823 0.045 0.000 0.996 408 V HN 0.980 nan 8.190 nan 0.000 0.425 409 V N 2.886 122.830 119.914 0.050 0.000 2.465 409 V HA 0.338 4.457 4.120 -0.000 0.000 0.279 409 V C 0.262 176.362 176.094 0.010 0.000 1.045 409 V CA -0.534 61.785 62.300 0.032 0.000 0.938 409 V CB 1.541 33.360 31.823 -0.008 0.000 0.986 409 V HN 0.953 nan 8.190 nan 0.000 0.467 410 E N 3.362 123.575 120.200 0.022 0.000 2.376 410 E HA 0.121 4.471 4.350 -0.000 0.000 0.266 410 E C 0.576 177.185 176.600 0.015 0.000 1.009 410 E CA 0.168 56.579 56.400 0.018 0.000 0.902 410 E CB 1.367 31.081 29.700 0.023 0.000 0.972 410 E HN 0.532 nan 8.360 nan 0.000 0.439 411 V N 1.345 121.266 119.914 0.011 0.000 3.661 411 V HA 0.231 4.351 4.120 -0.000 0.000 0.271 411 V C 0.786 176.888 176.094 0.014 0.000 1.315 411 V CA 0.191 62.498 62.300 0.012 0.000 1.072 411 V CB -0.547 31.280 31.823 0.007 0.000 0.830 411 V HN 0.662 nan 8.190 nan 0.000 0.443 412 E N 1.643 121.851 120.200 0.013 0.000 2.376 412 E HA 0.460 4.810 4.350 -0.000 0.000 0.266 412 E C 0.518 177.125 176.600 0.013 0.000 1.009 412 E CA 0.337 56.744 56.400 0.012 0.000 0.902 412 E CB 1.077 30.783 29.700 0.011 0.000 0.972 412 E HN 0.682 nan 8.360 nan 0.000 0.439 413 A N 0.000 122.826 122.820 0.010 0.000 2.254 413 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 413 A CA 0.000 52.042 52.037 0.009 0.000 0.836 413 A CB 0.000 19.003 19.000 0.005 0.000 0.831 413 A HN 0.000 nan 8.150 nan 0.000 0.486