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 3k09_1_F DATA FIRST_RESID 14 DATA SEQUENCE EHQAIAKMRT MIEGFDDISH GGLPIGRSTL VSGTSGTGKT LFSIQFLYNG DATA SEQUENCE IIEFDEPGVF VTFEETPQDI IKNARSFGWD LAKLVDEGKL FILDASPDPE DATA SEQUENCE GQEVVGGFDL SALIERINYA IQKYRARRVS IDSVTSVFQQ YDASSVVRRE DATA SEQUENCE LFRLVARLKQ IGATTVMTTE RIEEYGPIAR YGVEEFVSDN VVILRNVLEG DATA SEQUENCE ERRRRTLEIL KLRGTSHMKG EYPFTITDHG INIFPLGAMR LTQRSSNVRV DATA SEQUENCE SSGVVRLDEM CGGGFFKDSI ILATGATGTG KTLLVSRFVE NACANKERAI DATA SEQUENCE LFAYEESRAQ LLRNAYSWGM DFEEMERQNL LKIVCAYPES AGLEDHLQII DATA SEQUENCE KSEINDFKPA RIAIDSLSAL ARGVSNNAFR QFVIGVTGYA KQEEITGLFT DATA SEQUENCE NTSDQFMGAH SITDSHIDTI TDTIILLQYV EIRGEMSRAI NVFKMRGSWH DATA SEQUENCE DKAIREFMIS DKGPDIKDSF RNFERIISGS PTRITVDEKS ELSRIVRGVQ DATA SEQUENCE EKGPES 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 14 E HA 0.000 nan 4.350 nan 0.000 0.291 14 E C 0.000 176.688 176.600 0.147 0.000 1.382 14 E CA 0.000 56.445 56.400 0.076 0.000 0.976 14 E CB 0.000 29.737 29.700 0.062 0.000 0.812 15 H N 3.663 122.746 119.070 0.021 0.000 2.908 15 H HA 0.500 5.055 4.556 -0.000 0.000 0.269 15 H C -0.961 174.388 175.328 0.035 0.000 1.303 15 H CA 0.332 56.394 56.048 0.024 0.000 1.341 15 H CB 0.133 29.908 29.762 0.021 0.000 1.519 15 H HN 0.319 nan 8.280 nan 0.000 0.505 16 Q N 2.262 122.086 119.800 0.040 0.000 2.313 16 Q HA 0.338 4.678 4.340 -0.000 0.000 0.255 16 Q C 0.065 176.060 176.000 -0.009 0.000 0.944 16 Q CA -0.494 55.312 55.803 0.005 0.000 0.881 16 Q CB 1.946 30.716 28.738 0.055 0.000 1.375 16 Q HN 0.596 nan 8.270 nan 0.000 0.422 17 A N 2.925 125.721 122.820 -0.039 0.000 2.216 17 A HA 0.025 4.345 4.320 -0.000 0.000 0.214 17 A C 0.609 178.194 177.584 0.002 0.000 1.160 17 A CA 0.899 52.923 52.037 -0.023 0.000 0.725 17 A CB 0.084 19.064 19.000 -0.034 0.000 0.784 17 A HN 0.510 nan 8.150 nan 0.000 0.472 18 I N -0.080 120.497 120.570 0.012 0.000 2.406 18 I HA 0.426 4.596 4.170 -0.000 0.000 0.290 18 I C 0.324 176.456 176.117 0.025 0.000 0.999 18 I CA -0.953 60.358 61.300 0.018 0.000 1.124 18 I CB 0.958 38.971 38.000 0.022 0.000 1.289 18 I HN 0.123 nan 8.210 nan 0.000 0.441 19 A N 7.523 130.355 122.820 0.019 0.000 2.396 19 A HA 0.394 4.714 4.320 -0.000 0.000 0.279 19 A C 0.274 177.868 177.584 0.016 0.000 1.165 19 A CA -0.264 51.783 52.037 0.018 0.000 0.824 19 A CB 0.063 19.069 19.000 0.010 0.000 1.100 19 A HN 0.714 nan 8.150 nan 0.000 0.516 20 K N 1.590 122.003 120.400 0.022 0.000 2.139 20 K HA 0.609 4.929 4.320 -0.000 0.000 0.243 20 K C -0.355 176.243 176.600 -0.003 0.000 0.983 20 K CA -0.464 55.838 56.287 0.024 0.000 0.890 20 K CB 1.761 34.291 32.500 0.051 0.000 1.090 20 K HN 0.816 nan 8.250 nan 0.000 0.445 21 M N 1.097 120.693 119.600 -0.006 0.000 2.436 21 M HA 0.324 4.804 4.480 -0.000 0.000 0.331 21 M C -0.836 175.444 176.300 -0.033 0.000 1.135 21 M CA -0.532 54.733 55.300 -0.058 0.000 0.987 21 M CB 1.500 34.083 32.600 -0.028 0.000 1.687 21 M HN 0.387 nan 8.290 nan 0.000 0.445 22 R N 1.659 122.089 120.500 -0.115 0.000 2.265 22 R HA 0.197 4.537 4.340 -0.000 0.000 0.314 22 R C 1.034 177.362 176.300 0.046 0.000 1.053 22 R CA 0.299 56.392 56.100 -0.012 0.000 0.931 22 R CB 0.888 31.206 30.300 0.030 0.000 1.024 22 R HN 0.928 nan 8.270 nan 0.000 0.457 23 T N 0.704 115.304 114.554 0.077 0.000 2.942 23 T HA -0.056 4.294 4.350 -0.000 0.000 0.265 23 T C 1.247 175.973 174.700 0.043 0.000 1.062 23 T CA 0.360 62.485 62.100 0.042 0.000 1.139 23 T CB 0.189 68.935 68.868 -0.204 0.000 0.883 23 T HN 0.630 nan 8.240 nan 0.000 0.468 24 M N -0.554 119.094 119.600 0.079 0.000 2.970 24 M HA -0.114 4.366 4.480 -0.000 0.000 0.202 24 M C -0.159 176.151 176.300 0.017 0.000 0.601 24 M CA 0.344 55.687 55.300 0.071 0.000 0.767 24 M CB -2.575 30.076 32.600 0.085 0.000 2.747 24 M HN 0.459 nan 8.290 nan 0.000 0.312 25 I N 1.260 121.819 120.570 -0.018 0.000 2.529 25 I HA 0.040 4.210 4.170 -0.000 0.000 0.284 25 I C 1.364 177.508 176.117 0.045 0.000 1.082 25 I CA -0.019 61.259 61.300 -0.038 0.000 1.406 25 I CB 0.615 38.526 38.000 -0.148 0.000 1.405 25 I HN 0.096 nan 8.210 nan 0.000 0.548 26 E N 5.340 125.561 120.200 0.035 0.000 2.406 26 E HA -0.022 4.328 4.350 -0.000 0.000 0.247 26 E C 1.009 177.629 176.600 0.033 0.000 1.160 26 E CA 0.874 57.294 56.400 0.033 0.000 0.950 26 E CB 0.004 29.712 29.700 0.014 0.000 0.993 26 E HN 0.972 nan 8.360 nan 0.000 0.472 27 G N 4.358 113.190 108.800 0.054 0.000 2.195 27 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.246 27 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.246 27 G C 0.494 175.423 174.900 0.047 0.000 0.984 27 G CA 0.227 45.345 45.100 0.030 0.000 0.633 27 G HN 0.626 nan 8.290 nan 0.000 0.525 28 F N 2.004 121.951 119.950 -0.005 0.000 2.146 28 F HA 0.039 4.566 4.527 -0.000 0.000 0.298 28 F C 2.308 178.129 175.800 0.035 0.000 1.096 28 F CA 2.224 60.240 58.000 0.026 0.000 1.275 28 F CB -0.023 39.007 39.000 0.050 0.000 1.008 28 F HN 0.163 nan 8.300 nan 0.000 0.480 29 D N 0.458 121.005 120.400 0.245 0.000 2.133 29 D HA -0.234 4.406 4.640 -0.000 0.000 0.195 29 D C 1.872 178.191 176.300 0.031 0.000 0.997 29 D CA 1.742 55.836 54.000 0.157 0.000 0.840 29 D CB -0.572 40.311 40.800 0.139 0.000 0.947 29 D HN 0.435 nan 8.370 nan 0.000 0.452 30 D N 0.564 120.961 120.400 -0.006 0.000 2.097 30 D HA -0.100 4.540 4.640 -0.000 0.000 0.195 30 D C 2.403 178.702 176.300 -0.003 0.000 0.989 30 D CA 0.525 54.503 54.000 -0.037 0.000 0.827 30 D CB -0.057 40.706 40.800 -0.062 0.000 0.966 30 D HN 0.268 nan 8.370 nan 0.000 0.456 31 I N 1.295 121.790 120.570 -0.126 0.000 2.208 31 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 31 I C 2.262 178.321 176.117 -0.098 0.000 1.097 31 I CA 1.131 62.337 61.300 -0.157 0.000 1.363 31 I CB -0.320 37.484 38.000 -0.326 0.000 1.051 31 I HN -0.020 nan 8.210 nan 0.000 0.413 32 S N -1.437 114.115 115.700 -0.247 0.000 2.631 32 S HA -0.035 4.435 4.470 -0.000 0.000 0.217 32 S C 0.582 175.251 174.600 0.115 0.000 0.958 32 S CA -0.174 57.945 58.200 -0.135 0.000 0.920 32 S CB -0.426 62.670 63.200 -0.173 0.000 0.776 32 S HN 0.487 nan 8.310 nan 0.000 0.517 33 H N 0.619 119.671 119.070 -0.030 0.000 2.741 33 H HA -0.122 4.434 4.556 -0.000 0.000 0.305 33 H C 1.234 176.575 175.328 0.022 0.000 1.169 33 H CA 0.878 56.929 56.048 0.004 0.000 1.144 33 H CB -1.620 28.156 29.762 0.022 0.000 1.397 33 H HN 0.791 nan 8.280 nan 0.000 0.409 34 G N -3.102 105.771 108.800 0.121 0.000 3.033 34 G HA2 0.402 4.362 3.960 -0.000 0.000 0.208 34 G HA3 0.402 4.362 3.960 -0.000 0.000 0.208 34 G C 0.809 175.777 174.900 0.114 0.000 1.006 34 G CA 0.678 45.836 45.100 0.096 0.000 0.808 34 G HN 1.551 nan 8.290 nan 0.000 0.499 35 G N -0.519 108.380 108.800 0.164 0.000 2.434 35 G HA2 0.238 4.198 3.960 -0.000 0.000 0.671 35 G HA3 0.238 4.198 3.960 -0.000 0.000 0.671 35 G C -0.081 174.925 174.900 0.176 0.000 1.280 35 G CA -0.431 44.809 45.100 0.233 0.000 0.975 35 G HN 1.079 nan 8.290 nan 0.000 0.510 36 L N 0.580 121.873 121.223 0.118 0.000 2.499 36 L HA 0.251 4.591 4.340 -0.000 0.000 0.281 36 L C -1.893 174.997 176.870 0.032 0.000 1.234 36 L CA -0.977 53.887 54.840 0.039 0.000 0.839 36 L CB 0.097 42.084 42.059 -0.120 0.000 1.104 36 L HN 0.285 nan 8.230 nan 0.000 0.500 37 P HA 0.211 nan 4.420 nan 0.000 0.280 37 P C -0.616 176.693 177.300 0.015 0.000 1.244 37 P CA -0.395 62.718 63.100 0.021 0.000 0.784 37 P CB 0.810 32.521 31.700 0.019 0.000 0.913 38 I N 2.369 122.946 120.570 0.012 0.000 2.556 38 I HA 0.284 4.454 4.170 -0.000 0.000 0.284 38 I C 1.626 177.749 176.117 0.010 0.000 1.114 38 I CA 1.068 62.374 61.300 0.010 0.000 1.418 38 I CB -0.778 37.220 38.000 -0.003 0.000 1.394 38 I HN 0.711 nan 8.210 nan 0.000 0.552 39 G N 4.406 113.214 108.800 0.014 0.000 2.157 39 G HA2 -0.222 3.737 3.960 -0.000 0.000 0.248 39 G HA3 -0.222 3.737 3.960 -0.000 0.000 0.248 39 G C 0.506 175.410 174.900 0.007 0.000 0.979 39 G CA -0.198 44.908 45.100 0.009 0.000 0.650 39 G HN 0.558 nan 8.290 nan 0.000 0.529 40 R N -0.545 119.961 120.500 0.010 0.000 3.018 40 R HA 0.788 5.128 4.340 -0.000 0.000 0.243 40 R C -0.176 176.126 176.300 0.003 0.000 1.315 40 R CA -0.082 56.021 56.100 0.005 0.000 1.039 40 R CB 1.458 31.762 30.300 0.006 0.000 1.315 40 R HN 0.549 nan 8.270 nan 0.000 0.492 41 S N -0.546 115.153 115.700 -0.003 0.000 2.526 41 S HA 0.493 4.963 4.470 -0.000 0.000 0.293 41 S C -0.822 173.764 174.600 -0.023 0.000 1.092 41 S CA -0.660 57.535 58.200 -0.009 0.000 0.980 41 S CB 2.120 65.321 63.200 0.002 0.000 1.048 41 S HN 0.408 nan 8.310 nan 0.000 0.483 42 T N 3.437 117.963 114.554 -0.048 0.000 2.791 42 T HA 0.396 4.746 4.350 -0.000 0.000 0.288 42 T C -0.539 174.122 174.700 -0.066 0.000 0.999 42 T CA -0.421 61.642 62.100 -0.060 0.000 0.952 42 T CB 0.782 69.601 68.868 -0.083 0.000 0.938 42 T HN 0.678 nan 8.240 nan 0.000 0.444 43 L N 5.749 126.936 121.223 -0.061 0.000 2.385 43 L HA 0.438 4.778 4.340 -0.000 0.000 0.281 43 L C -0.633 176.176 176.870 -0.101 0.000 1.106 43 L CA 0.059 54.862 54.840 -0.062 0.000 0.856 43 L CB 0.260 42.285 42.059 -0.057 0.000 1.186 43 L HN 0.387 nan 8.230 nan 0.000 0.453 44 V N 5.511 125.354 119.914 -0.117 0.000 2.311 44 V HA 0.508 4.628 4.120 -0.000 0.000 0.275 44 V C 0.150 176.167 176.094 -0.127 0.000 1.022 44 V CA -0.063 62.116 62.300 -0.202 0.000 0.830 44 V CB 1.036 32.653 31.823 -0.343 0.000 1.012 44 V HN 0.918 nan 8.190 nan 0.000 0.452 45 S N 4.014 119.649 115.700 -0.108 0.000 2.638 45 S HA 1.025 5.495 4.470 -0.000 0.000 0.302 45 S C -0.277 174.294 174.600 -0.049 0.000 1.096 45 S CA 0.017 58.183 58.200 -0.057 0.000 0.953 45 S CB 2.482 65.659 63.200 -0.038 0.000 1.107 45 S HN 1.377 nan 8.310 nan 0.000 0.503 46 G N 0.556 109.343 108.800 -0.021 0.000 2.328 46 G HA2 0.457 4.417 3.960 -0.000 0.000 0.295 46 G HA3 0.457 4.417 3.960 -0.000 0.000 0.295 46 G C -0.225 174.673 174.900 -0.002 0.000 1.413 46 G CA -0.018 45.074 45.100 -0.014 0.000 0.817 46 G HN 1.304 nan 8.290 nan 0.000 0.546 47 T N -1.697 112.851 114.554 -0.009 0.000 3.141 47 T HA 0.519 4.869 4.350 -0.000 0.000 0.391 47 T C 1.100 175.809 174.700 0.014 0.000 1.170 47 T CA 0.810 62.906 62.100 -0.006 0.000 1.054 47 T CB 0.410 69.264 68.868 -0.024 0.000 1.487 47 T HN 1.182 nan 8.240 nan 0.000 0.530 48 S N -0.911 114.797 115.700 0.013 0.000 2.565 48 S HA 0.487 4.957 4.470 -0.000 0.000 0.274 48 S C 1.333 175.953 174.600 0.034 0.000 1.309 48 S CA 0.345 58.561 58.200 0.027 0.000 1.043 48 S CB -0.303 62.909 63.200 0.020 0.000 0.939 48 S HN 1.811 nan 8.310 nan 0.000 0.504 49 G N 2.891 111.722 108.800 0.052 0.000 2.203 49 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.263 49 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.263 49 G C 0.712 175.659 174.900 0.079 0.000 1.012 49 G CA 1.042 46.180 45.100 0.063 0.000 0.749 49 G HN 1.120 nan 8.290 nan 0.000 0.512 50 T N -3.555 111.052 114.554 0.088 0.000 3.081 50 T HA 0.431 4.781 4.350 -0.000 0.000 0.255 50 T C 2.177 177.007 174.700 0.217 0.000 1.113 50 T CA 1.610 63.782 62.100 0.121 0.000 1.082 50 T CB 0.413 69.332 68.868 0.084 0.000 0.939 50 T HN 2.097 nan 8.240 nan 0.000 0.506 51 G N 1.196 110.111 108.800 0.192 0.000 2.205 51 G HA2 -0.225 3.734 3.960 -0.000 0.000 0.180 51 G HA3 -0.225 3.734 3.960 -0.000 0.000 0.180 51 G C 0.824 175.829 174.900 0.174 0.000 1.004 51 G CA 0.175 45.415 45.100 0.234 0.000 0.670 51 G HN 0.496 nan 8.290 nan 0.000 0.496 52 K N 0.289 120.760 120.400 0.118 0.000 1.990 52 K HA -0.182 4.138 4.320 -0.000 0.000 0.225 52 K C 2.499 179.193 176.600 0.157 0.000 1.053 52 K CA 2.415 58.758 56.287 0.092 0.000 0.982 52 K CB -0.794 31.745 32.500 0.064 0.000 0.734 52 K HN 0.343 nan 8.250 nan 0.000 0.448 53 T N 1.928 116.579 114.554 0.162 0.000 2.778 53 T HA -0.161 4.189 4.350 -0.000 0.000 0.269 53 T C 1.777 176.613 174.700 0.227 0.000 1.050 53 T CA 1.193 63.418 62.100 0.207 0.000 1.137 53 T CB -0.245 68.756 68.868 0.221 0.000 0.860 53 T HN 0.080 nan 8.240 nan 0.000 0.468 54 L N 0.447 121.786 121.223 0.193 0.000 1.973 54 L HA 0.108 4.448 4.340 -0.000 0.000 0.208 54 L C 2.042 178.993 176.870 0.135 0.000 1.073 54 L CA 1.488 56.404 54.840 0.128 0.000 0.746 54 L CB -1.115 40.977 42.059 0.056 0.000 0.891 54 L HN 0.184 nan 8.230 nan 0.000 0.433 55 F N 0.410 120.356 119.950 -0.006 0.000 2.039 55 F HA -0.445 4.082 4.527 -0.000 0.000 0.296 55 F C 2.803 178.599 175.800 -0.006 0.000 1.119 55 F CA 2.798 60.756 58.000 -0.070 0.000 1.211 55 F CB -0.874 38.046 39.000 -0.133 0.000 0.956 55 F HN 0.377 nan 8.300 nan 0.000 0.496 56 S N 1.105 116.953 115.700 0.246 0.000 2.377 56 S HA -0.294 4.176 4.470 -0.000 0.000 0.224 56 S C 2.093 176.812 174.600 0.198 0.000 1.042 56 S CA 1.672 59.986 58.200 0.191 0.000 1.086 56 S CB -1.248 62.011 63.200 0.099 0.000 0.995 56 S HN 0.402 nan 8.310 nan 0.000 0.428 57 I N 2.389 123.120 120.570 0.268 0.000 2.091 57 I HA -0.259 3.911 4.170 -0.000 0.000 0.239 57 I C 3.000 179.135 176.117 0.030 0.000 1.061 57 I CA 2.093 63.554 61.300 0.270 0.000 1.317 57 I CB -1.369 36.795 38.000 0.274 0.000 1.031 57 I HN 0.512 nan 8.210 nan 0.000 0.401 58 Q N -0.267 119.476 119.800 -0.095 0.000 2.297 58 Q HA -0.260 4.080 4.340 -0.000 0.000 0.208 58 Q C 2.164 178.036 176.000 -0.213 0.000 0.981 58 Q CA 1.492 57.092 55.803 -0.338 0.000 0.876 58 Q CB -0.205 28.348 28.738 -0.308 0.000 0.921 58 Q HN 0.461 nan 8.270 nan 0.000 0.446 59 F N 0.050 119.810 119.950 -0.318 0.000 2.259 59 F HA -0.068 4.459 4.527 -0.000 0.000 0.298 59 F C 1.278 176.973 175.800 -0.175 0.000 1.088 59 F CA 1.039 58.842 58.000 -0.327 0.000 1.358 59 F CB -0.092 38.682 39.000 -0.377 0.000 1.040 59 F HN 0.029 nan 8.300 nan 0.000 0.505 60 L N -1.333 119.662 121.223 -0.379 0.000 2.102 60 L HA -0.153 4.187 4.340 -0.000 0.000 0.202 60 L C 2.351 179.075 176.870 -0.244 0.000 1.076 60 L CA 1.190 55.785 54.840 -0.408 0.000 0.761 60 L CB -1.206 40.773 42.059 -0.133 0.000 0.921 60 L HN 0.140 nan 8.230 nan 0.000 0.444 61 Y N 1.921 122.031 120.300 -0.316 0.000 2.014 61 Y HA -0.362 4.188 4.550 -0.000 0.000 0.272 61 Y C 2.623 178.331 175.900 -0.320 0.000 1.164 61 Y CA 2.008 59.894 58.100 -0.356 0.000 1.114 61 Y CB -0.479 37.610 38.460 -0.618 0.000 0.961 61 Y HN 0.208 nan 8.280 nan 0.000 0.489 62 N N 0.053 118.619 118.700 -0.224 0.000 2.192 62 N HA -0.167 4.573 4.740 -0.000 0.000 0.188 62 N C 1.928 177.359 175.510 -0.132 0.000 1.013 62 N CA 1.432 54.351 53.050 -0.219 0.000 0.863 62 N CB -0.928 37.504 38.487 -0.090 0.000 0.990 62 N HN 0.600 nan 8.380 nan 0.000 0.430 63 G N 0.337 109.047 108.800 -0.151 0.000 2.484 63 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.218 63 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.218 63 G C 1.647 176.516 174.900 -0.052 0.000 1.130 63 G CA 0.065 45.146 45.100 -0.031 0.000 0.784 63 G HN 0.263 nan 8.290 nan 0.000 0.543 64 I N 0.453 120.898 120.570 -0.208 0.000 2.400 64 I HA 0.028 4.198 4.170 -0.000 0.000 0.248 64 I C 2.161 178.111 176.117 -0.278 0.000 1.109 64 I CA 0.421 61.587 61.300 -0.223 0.000 1.425 64 I CB 0.093 37.938 38.000 -0.257 0.000 1.094 64 I HN 0.047 nan 8.210 nan 0.000 0.425 65 I N 0.332 120.634 120.570 -0.446 0.000 2.876 65 I HA -0.101 4.069 4.170 -0.000 0.000 0.264 65 I C 1.763 177.673 176.117 -0.346 0.000 1.204 65 I CA 1.330 62.372 61.300 -0.430 0.000 1.485 65 I CB -0.635 36.993 38.000 -0.619 0.000 1.103 65 I HN 0.324 nan 8.210 nan 0.000 0.446 66 E N -0.762 119.205 120.200 -0.388 0.000 2.514 66 E HA 0.137 4.487 4.350 -0.000 0.000 0.215 66 E C 0.785 176.852 176.600 -0.889 0.000 0.946 66 E CA 0.293 56.299 56.400 -0.656 0.000 1.038 66 E CB 0.664 29.830 29.700 -0.890 0.000 1.069 66 E HN 0.380 nan 8.360 nan 0.000 0.503 67 F N 0.110 119.985 119.950 -0.125 0.000 2.856 67 F HA 0.177 4.704 4.527 -0.000 0.000 0.338 67 F C 0.025 175.770 175.800 -0.092 0.000 1.100 67 F CA -0.473 57.471 58.000 -0.094 0.000 1.150 67 F CB 0.728 39.676 39.000 -0.087 0.000 1.101 67 F HN -0.199 nan 8.300 nan 0.000 0.548 68 D N 2.349 122.752 120.400 0.005 0.000 2.708 68 D HA -0.241 4.399 4.640 -0.000 0.000 0.236 68 D C -0.331 175.972 176.300 0.005 0.000 1.146 68 D CA 0.665 54.653 54.000 -0.020 0.000 0.662 68 D CB -0.750 40.038 40.800 -0.020 0.000 1.059 68 D HN 0.478 nan 8.370 nan 0.000 0.428 69 E N 0.973 121.176 120.200 0.007 0.000 2.042 69 E HA 0.248 4.598 4.350 -0.000 0.000 0.260 69 E C -2.094 174.473 176.600 -0.054 0.000 0.975 69 E CA -1.834 54.554 56.400 -0.020 0.000 0.799 69 E CB 0.913 30.590 29.700 -0.038 0.000 1.131 69 E HN 0.285 nan 8.360 nan 0.000 0.423 70 P HA -0.051 nan 4.420 nan 0.000 0.266 70 P C -0.096 177.175 177.300 -0.048 0.000 1.186 70 P CA 0.128 63.219 63.100 -0.015 0.000 0.767 70 P CB 0.978 32.711 31.700 0.054 0.000 0.820 71 G N 0.675 109.436 108.800 -0.065 0.000 2.612 71 G HA2 0.519 4.479 3.960 -0.000 0.000 0.298 71 G HA3 0.519 4.479 3.960 -0.000 0.000 0.298 71 G C -1.491 173.386 174.900 -0.038 0.000 1.336 71 G CA -0.551 44.500 45.100 -0.080 0.000 0.953 71 G HN 0.374 nan 8.290 nan 0.000 0.482 72 V N 1.310 121.225 119.914 0.002 0.000 2.435 72 V HA 0.557 4.677 4.120 -0.000 0.000 0.290 72 V C -1.027 175.134 176.094 0.112 0.000 1.030 72 V CA -0.589 61.757 62.300 0.076 0.000 0.881 72 V CB 1.376 33.260 31.823 0.100 0.000 0.983 72 V HN 0.643 nan 8.190 nan 0.000 0.445 73 F N 5.497 125.412 119.950 -0.058 0.000 2.445 73 F HA 0.652 5.179 4.527 -0.000 0.000 0.348 73 F C -0.463 175.270 175.800 -0.112 0.000 1.125 73 F CA -0.695 57.261 58.000 -0.073 0.000 0.983 73 F CB 1.455 40.405 39.000 -0.084 0.000 1.198 73 F HN 0.264 nan 8.300 nan 0.000 0.436 74 V N 5.152 125.010 119.914 -0.093 0.000 2.383 74 V HA 0.337 4.456 4.120 -0.000 0.000 0.275 74 V C 0.106 176.026 176.094 -0.289 0.000 1.036 74 V CA -0.333 61.858 62.300 -0.180 0.000 0.889 74 V CB 1.304 32.957 31.823 -0.284 0.000 0.985 74 V HN 0.795 nan 8.190 nan 0.000 0.459 75 T N 3.974 118.426 114.554 -0.169 0.000 2.829 75 T HA 0.584 4.934 4.350 -0.000 0.000 0.280 75 T C 0.183 174.695 174.700 -0.314 0.000 0.999 75 T CA -0.263 61.785 62.100 -0.087 0.000 0.983 75 T CB 0.835 69.834 68.868 0.217 0.000 0.968 75 T HN 0.386 nan 8.240 nan 0.000 0.446 76 F N 1.849 121.824 119.950 0.042 0.000 2.694 76 F HA 0.387 4.914 4.527 -0.000 0.000 0.292 76 F C 2.135 177.943 175.800 0.014 0.000 1.121 76 F CA -0.272 57.732 58.000 0.007 0.000 1.352 76 F CB 0.715 39.696 39.000 -0.032 0.000 1.107 76 F HN 0.551 nan 8.300 nan 0.000 0.597 77 E N -0.199 120.116 120.200 0.193 0.000 2.629 77 E HA 0.091 4.441 4.350 -0.000 0.000 0.197 77 E C 0.214 176.868 176.600 0.089 0.000 0.955 77 E CA -0.088 56.387 56.400 0.126 0.000 1.191 77 E CB 0.271 30.039 29.700 0.114 0.000 1.175 77 E HN 0.106 nan 8.360 nan 0.000 0.501 78 E N 1.086 121.345 120.200 0.098 0.000 2.418 78 E HA 0.036 4.386 4.350 -0.000 0.000 0.261 78 E C -0.577 176.046 176.600 0.038 0.000 1.070 78 E CA 0.258 56.700 56.400 0.070 0.000 0.931 78 E CB 1.019 30.773 29.700 0.089 0.000 0.954 78 E HN -0.014 nan 8.360 nan 0.000 0.439 79 T N 2.497 117.056 114.554 0.009 0.000 2.909 79 T HA 0.116 4.466 4.350 -0.000 0.000 0.289 79 T C -1.787 172.879 174.700 -0.056 0.000 1.005 79 T CA -1.959 60.131 62.100 -0.018 0.000 1.084 79 T CB 0.880 69.738 68.868 -0.016 0.000 0.975 79 T HN 0.220 nan 8.240 nan 0.000 0.509 80 P HA -0.120 nan 4.420 nan 0.000 0.219 80 P C 1.472 178.695 177.300 -0.127 0.000 1.146 80 P CA 0.884 63.900 63.100 -0.139 0.000 0.808 80 P CB 0.231 31.845 31.700 -0.144 0.000 0.779 81 Q N -0.613 119.137 119.800 -0.084 0.000 2.083 81 Q HA -0.114 4.226 4.340 -0.000 0.000 0.198 81 Q C 1.640 177.599 176.000 -0.067 0.000 0.969 81 Q CA 1.264 57.026 55.803 -0.068 0.000 0.838 81 Q CB -1.281 27.429 28.738 -0.046 0.000 0.900 81 Q HN 0.366 nan 8.270 nan 0.000 0.436 82 D N 0.917 121.283 120.400 -0.057 0.000 2.117 82 D HA -0.091 4.549 4.640 -0.000 0.000 0.197 82 D C 2.049 178.315 176.300 -0.057 0.000 0.987 82 D CA 0.757 54.730 54.000 -0.044 0.000 0.829 82 D CB -0.016 40.771 40.800 -0.022 0.000 0.961 82 D HN 0.153 nan 8.370 nan 0.000 0.460 83 I N 1.256 121.767 120.570 -0.100 0.000 2.335 83 I HA -0.227 3.943 4.170 -0.000 0.000 0.251 83 I C 2.417 178.459 176.117 -0.125 0.000 1.129 83 I CA 0.751 61.961 61.300 -0.149 0.000 1.402 83 I CB -0.167 37.600 38.000 -0.388 0.000 1.069 83 I HN 0.042 nan 8.210 nan 0.000 0.424 84 I N -0.301 120.198 120.570 -0.118 0.000 2.235 84 I HA -0.237 3.933 4.170 -0.000 0.000 0.241 84 I C 2.512 178.601 176.117 -0.047 0.000 1.085 84 I CA 0.867 62.121 61.300 -0.076 0.000 1.378 84 I CB -0.414 37.541 38.000 -0.076 0.000 1.076 84 I HN 0.121 nan 8.210 nan 0.000 0.415 85 K N 1.934 122.303 120.400 -0.052 0.000 2.015 85 K HA -0.236 4.084 4.320 -0.000 0.000 0.216 85 K C 1.790 178.355 176.600 -0.059 0.000 1.052 85 K CA 2.042 58.299 56.287 -0.050 0.000 0.937 85 K CB -0.343 32.129 32.500 -0.046 0.000 0.719 85 K HN 0.204 nan 8.250 nan 0.000 0.446 86 N N 0.305 118.980 118.700 -0.042 0.000 2.120 86 N HA -0.124 4.616 4.740 -0.000 0.000 0.188 86 N C 1.640 177.134 175.510 -0.027 0.000 1.024 86 N CA 1.494 54.522 53.050 -0.036 0.000 0.852 86 N CB -0.657 37.845 38.487 0.023 0.000 1.003 86 N HN 0.381 nan 8.380 nan 0.000 0.424 87 A N 1.467 124.306 122.820 0.032 0.000 2.084 87 A HA -0.141 4.179 4.320 -0.000 0.000 0.221 87 A C 2.146 179.680 177.584 -0.084 0.000 1.161 87 A CA 1.095 53.182 52.037 0.084 0.000 0.653 87 A CB -0.419 18.664 19.000 0.139 0.000 0.802 87 A HN 0.287 nan 8.150 nan 0.000 0.457 88 R N -0.880 119.545 120.500 -0.125 0.000 2.148 88 R HA -0.048 4.292 4.340 -0.000 0.000 0.223 88 R C 2.397 178.501 176.300 -0.327 0.000 1.088 88 R CA 0.966 56.958 56.100 -0.180 0.000 0.985 88 R CB -0.401 29.829 30.300 -0.117 0.000 0.880 88 R HN 0.516 nan 8.270 nan 0.000 0.451 89 S N 0.505 115.944 115.700 -0.435 0.000 2.400 89 S HA -0.179 4.291 4.470 -0.000 0.000 0.234 89 S C 1.352 175.415 174.600 -0.895 0.000 1.049 89 S CA 1.483 59.266 58.200 -0.695 0.000 1.039 89 S CB -0.108 62.513 63.200 -0.965 0.000 0.856 89 S HN 0.327 nan 8.310 nan 0.000 0.465 90 F N -0.036 119.529 119.950 -0.641 0.000 2.656 90 F HA 0.399 4.926 4.527 -0.000 0.000 0.291 90 F C 1.844 177.219 175.800 -0.708 0.000 1.122 90 F CA 0.295 57.825 58.000 -0.783 0.000 1.427 90 F CB 0.000 38.175 39.000 -1.375 0.000 1.125 90 F HN 0.319 nan 8.300 nan 0.000 0.583 91 G N -0.723 107.755 108.800 -0.537 0.000 2.186 91 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.130 91 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.130 91 G C -0.665 174.202 174.900 -0.055 0.000 1.031 91 G CA -0.896 44.065 45.100 -0.231 0.000 0.697 91 G HN 0.078 nan 8.290 nan 0.000 0.494 92 W N 0.330 121.607 121.300 -0.038 0.000 2.666 92 W HA 0.697 5.356 4.660 -0.000 0.000 0.334 92 W C -0.626 175.882 176.519 -0.018 0.000 1.051 92 W CA -1.649 55.628 57.345 -0.113 0.000 1.224 92 W CB 1.406 30.518 29.460 -0.580 0.000 1.405 92 W HN 0.103 nan 8.180 nan 0.000 0.513 93 D N 2.956 123.524 120.400 0.280 0.000 2.514 93 D HA 0.216 4.856 4.640 -0.000 0.000 0.267 93 D C 1.115 177.517 176.300 0.170 0.000 1.165 93 D CA -0.072 54.027 54.000 0.166 0.000 0.958 93 D CB 0.327 41.206 40.800 0.130 0.000 0.992 93 D HN 0.284 nan 8.370 nan 0.000 0.506 94 L N 1.453 122.766 121.223 0.149 0.000 2.191 94 L HA -0.138 4.202 4.340 -0.000 0.000 0.212 94 L C 2.549 179.445 176.870 0.043 0.000 1.103 94 L CA 0.976 55.878 54.840 0.104 0.000 0.769 94 L CB -0.470 41.610 42.059 0.035 0.000 0.908 94 L HN 0.278 nan 8.230 nan 0.000 0.438 95 A N 0.952 123.790 122.820 0.031 0.000 1.849 95 A HA -0.318 4.002 4.320 -0.000 0.000 0.217 95 A C 2.439 180.040 177.584 0.027 0.000 1.202 95 A CA 2.410 54.454 52.037 0.012 0.000 0.629 95 A CB -0.666 18.341 19.000 0.012 0.000 0.834 95 A HN 0.368 nan 8.150 nan 0.000 0.447 96 K N -0.364 120.063 120.400 0.045 0.000 2.059 96 K HA -0.182 4.138 4.320 -0.000 0.000 0.212 96 K C 1.993 178.621 176.600 0.046 0.000 1.050 96 K CA 1.874 58.189 56.287 0.046 0.000 0.927 96 K CB -0.429 32.105 32.500 0.057 0.000 0.714 96 K HN 0.505 nan 8.250 nan 0.000 0.447 97 L N 0.695 121.950 121.223 0.054 0.000 2.042 97 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 97 L C 2.419 179.310 176.870 0.036 0.000 1.076 97 L CA 1.085 55.949 54.840 0.039 0.000 0.749 97 L CB -0.526 41.559 42.059 0.043 0.000 0.893 97 L HN 0.074 nan 8.230 nan 0.000 0.432 98 V N -0.511 119.416 119.914 0.021 0.000 2.720 98 V HA -0.257 3.863 4.120 -0.000 0.000 0.256 98 V C 2.018 178.155 176.094 0.071 0.000 1.082 98 V CA 1.631 63.942 62.300 0.019 0.000 1.101 98 V CB -0.520 31.284 31.823 -0.031 0.000 0.693 98 V HN 0.400 nan 8.190 nan 0.000 0.479 99 D N 0.250 120.684 120.400 0.057 0.000 2.137 99 D HA -0.090 4.550 4.640 -0.000 0.000 0.202 99 D C 2.145 178.488 176.300 0.072 0.000 0.970 99 D CA 0.942 54.979 54.000 0.061 0.000 0.837 99 D CB -0.015 40.810 40.800 0.042 0.000 0.981 99 D HN 0.548 nan 8.370 nan 0.000 0.475 100 E N -0.475 119.764 120.200 0.065 0.000 2.502 100 E HA 0.192 4.542 4.350 -0.000 0.000 0.194 100 E C 0.941 177.600 176.600 0.098 0.000 1.062 100 E CA 0.358 56.795 56.400 0.061 0.000 0.867 100 E CB 0.313 30.036 29.700 0.038 0.000 0.888 100 E HN 0.222 nan 8.360 nan 0.000 0.510 101 G N 2.285 111.182 108.800 0.161 0.000 2.246 101 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.273 101 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.273 101 G C 0.796 175.862 174.900 0.277 0.000 1.055 101 G CA 0.350 45.643 45.100 0.322 0.000 0.851 101 G HN 0.077 nan 8.290 nan 0.000 0.500 102 K N -1.337 119.138 120.400 0.126 0.000 2.354 102 K HA 0.313 4.633 4.320 -0.000 0.000 0.194 102 K C 0.611 177.213 176.600 0.004 0.000 1.045 102 K CA 0.187 56.510 56.287 0.061 0.000 1.026 102 K CB 0.665 33.169 32.500 0.007 0.000 0.866 102 K HN 0.636 nan 8.250 nan 0.000 0.530 103 L N 0.600 121.808 121.223 -0.025 0.000 2.457 103 L HA 0.415 4.755 4.340 -0.000 0.000 0.266 103 L C -1.567 175.197 176.870 -0.177 0.000 0.979 103 L CA -0.803 53.984 54.840 -0.088 0.000 0.857 103 L CB 1.076 43.104 42.059 -0.052 0.000 1.213 103 L HN -0.105 nan 8.230 nan 0.000 0.418 104 F N 6.015 125.666 119.950 -0.498 0.000 2.410 104 F HA 0.639 5.166 4.527 -0.000 0.000 0.349 104 F C -0.468 175.183 175.800 -0.248 0.000 1.117 104 F CA -0.599 57.046 58.000 -0.591 0.000 1.104 104 F CB 0.808 39.101 39.000 -1.179 0.000 1.122 104 F HN 0.374 nan 8.300 nan 0.000 0.483 105 I N 7.466 127.527 120.570 -0.850 0.000 2.353 105 I HA 0.207 4.377 4.170 -0.000 0.000 0.293 105 I C -1.082 174.491 176.117 -0.906 0.000 0.992 105 I CA -1.039 59.905 61.300 -0.593 0.000 1.268 105 I CB 1.596 39.327 38.000 -0.449 0.000 1.387 105 I HN 0.431 nan 8.210 nan 0.000 0.478 106 L N 7.116 128.109 121.223 -0.383 0.000 2.294 106 L HA 0.443 4.783 4.340 -0.000 0.000 0.283 106 L C -0.674 176.125 176.870 -0.118 0.000 1.015 106 L CA -0.371 54.361 54.840 -0.180 0.000 0.831 106 L CB 1.023 43.195 42.059 0.189 0.000 1.217 106 L HN 0.431 nan 8.230 nan 0.000 0.420 107 D N 4.363 124.692 120.400 -0.119 0.000 2.325 107 D HA 0.525 5.165 4.640 -0.000 0.000 0.251 107 D C 0.261 176.517 176.300 -0.074 0.000 1.196 107 D CA 0.428 54.373 54.000 -0.093 0.000 0.866 107 D CB 1.548 42.303 40.800 -0.075 0.000 1.101 107 D HN 0.710 nan 8.370 nan 0.000 0.476 108 A N 3.104 125.850 122.820 -0.124 0.000 2.609 108 A HA 0.263 4.583 4.320 -0.000 0.000 0.286 108 A C 0.515 178.140 177.584 0.069 0.000 1.138 108 A CA -0.266 51.735 52.037 -0.059 0.000 0.960 108 A CB -0.325 18.548 19.000 -0.211 0.000 1.208 108 A HN 0.516 nan 8.150 nan 0.000 0.541 109 S N 1.741 117.465 115.700 0.040 0.000 2.576 109 S HA 0.496 4.966 4.470 -0.000 0.000 0.276 109 S C -1.753 172.888 174.600 0.068 0.000 1.339 109 S CA -0.766 57.484 58.200 0.083 0.000 1.039 109 S CB 0.459 63.690 63.200 0.051 0.000 0.902 109 S HN 0.361 nan 8.310 nan 0.000 0.516 110 P HA 0.380 nan 4.420 nan 0.000 0.279 110 P C -0.882 176.436 177.300 0.030 0.000 1.282 110 P CA -0.329 62.796 63.100 0.042 0.000 0.788 110 P CB 0.385 32.102 31.700 0.028 0.000 1.139 111 D N -1.134 119.279 120.400 0.023 0.000 2.229 111 D HA 0.275 4.915 4.640 -0.000 0.000 0.249 111 D C -1.552 174.758 176.300 0.016 0.000 1.027 111 D CA -2.052 51.959 54.000 0.019 0.000 0.923 111 D CB 0.467 41.277 40.800 0.017 0.000 1.174 111 D HN 0.088 nan 8.370 nan 0.000 0.443 112 P HA 0.001 nan 4.420 nan 0.000 0.228 112 P C -0.796 176.511 177.300 0.012 0.000 1.151 112 P CA 0.878 63.985 63.100 0.013 0.000 0.770 112 P CB 0.265 31.972 31.700 0.011 0.000 0.786 113 E N -0.415 119.792 120.200 0.013 0.000 3.651 113 E HA 0.371 4.721 4.350 -0.000 0.000 0.220 113 E C 0.357 176.966 176.600 0.015 0.000 1.222 113 E CA -0.449 55.959 56.400 0.013 0.000 1.114 113 E CB 0.872 30.580 29.700 0.012 0.000 1.278 113 E HN 0.055 nan 8.360 nan 0.000 0.412 114 G N 0.688 109.498 108.800 0.016 0.000 2.568 114 G HA2 0.276 4.236 3.960 -0.000 0.000 0.293 114 G HA3 0.276 4.236 3.960 -0.000 0.000 0.293 114 G C -0.210 174.702 174.900 0.020 0.000 1.347 114 G CA -0.070 45.040 45.100 0.017 0.000 1.039 114 G HN 0.232 nan 8.290 nan 0.000 0.523 115 Q N -1.535 118.279 119.800 0.023 0.000 3.304 115 Q HA 0.512 4.852 4.340 -0.000 0.000 0.269 115 Q C -1.387 174.633 176.000 0.032 0.000 1.025 115 Q CA -0.531 55.290 55.803 0.030 0.000 0.836 115 Q CB 1.847 30.606 28.738 0.034 0.000 1.831 115 Q HN 0.378 nan 8.270 nan 0.000 0.455 116 E N 0.046 120.276 120.200 0.051 0.000 2.292 116 E HA 0.485 4.834 4.350 -0.000 0.000 0.272 116 E C -1.603 175.069 176.600 0.119 0.000 0.881 116 E CA -0.657 55.786 56.400 0.072 0.000 0.754 116 E CB 1.939 31.700 29.700 0.102 0.000 1.201 116 E HN 0.539 nan 8.360 nan 0.000 0.425 117 V N 2.167 122.161 119.914 0.133 0.000 3.161 117 V HA -0.143 3.977 4.120 -0.000 0.000 0.456 117 V C -0.742 175.426 176.094 0.123 0.000 0.682 117 V CA 0.464 62.905 62.300 0.234 0.000 1.992 117 V CB -1.024 30.953 31.823 0.258 0.000 2.464 117 V HN 0.591 nan 8.190 nan 0.000 0.494 118 V N 4.086 124.057 119.914 0.096 0.000 5.488 118 V HA 0.576 4.696 4.120 -0.000 0.000 0.240 118 V C 0.323 176.433 176.094 0.027 0.000 0.998 118 V CA 0.989 63.332 62.300 0.073 0.000 1.470 118 V CB 0.667 32.524 31.823 0.056 0.000 0.278 118 V HN 2.209 nan 8.190 nan 0.000 0.438 119 G N 2.046 110.882 108.800 0.061 0.000 4.517 119 G HA2 0.525 4.484 3.960 -0.000 0.000 0.258 119 G HA3 0.525 4.484 3.960 -0.000 0.000 0.258 119 G C 0.672 175.613 174.900 0.069 0.000 1.038 119 G CA 0.637 45.747 45.100 0.017 0.000 0.810 119 G HN 1.374 nan 8.290 nan 0.000 0.383 120 G N -0.084 108.785 108.800 0.114 0.000 2.868 120 G HA2 0.177 4.137 3.960 -0.000 0.000 0.201 120 G HA3 0.177 4.137 3.960 -0.000 0.000 0.201 120 G C 1.008 176.048 174.900 0.234 0.000 1.130 120 G CA 0.036 45.215 45.100 0.132 0.000 0.777 120 G HN 0.206 nan 8.290 nan 0.000 0.680 121 F N 2.057 122.034 119.950 0.045 0.000 2.748 121 F HA 0.037 4.564 4.527 -0.000 0.000 0.299 121 F C 2.299 178.119 175.800 0.034 0.000 1.154 121 F CA 0.743 58.766 58.000 0.038 0.000 1.446 121 F CB 0.549 39.570 39.000 0.035 0.000 1.112 121 F HN 0.238 nan 8.300 nan 0.000 0.584 122 D N -0.071 120.451 120.400 0.203 0.000 2.305 122 D HA -0.122 4.518 4.640 -0.000 0.000 0.206 122 D C 2.029 178.386 176.300 0.094 0.000 0.974 122 D CA 0.442 54.509 54.000 0.112 0.000 0.871 122 D CB -0.601 40.251 40.800 0.086 0.000 0.947 122 D HN 0.186 nan 8.370 nan 0.000 0.516 123 L N 0.697 121.982 121.223 0.103 0.000 2.240 123 L HA 0.058 4.398 4.340 -0.000 0.000 0.211 123 L C 1.675 178.601 176.870 0.094 0.000 1.106 123 L CA 1.037 55.928 54.840 0.084 0.000 0.793 123 L CB -0.627 41.481 42.059 0.082 0.000 0.927 123 L HN -0.001 nan 8.230 nan 0.000 0.446 124 S N 0.046 115.815 115.700 0.115 0.000 2.388 124 S HA 0.027 4.497 4.470 -0.000 0.000 0.223 124 S C 2.086 176.692 174.600 0.011 0.000 1.034 124 S CA 0.860 59.106 58.200 0.077 0.000 0.963 124 S CB -0.042 63.227 63.200 0.115 0.000 0.827 124 S HN 0.553 nan 8.310 nan 0.000 0.481 125 A N 1.547 124.366 122.820 -0.002 0.000 1.930 125 A HA -0.003 4.317 4.320 -0.000 0.000 0.217 125 A C 2.087 179.678 177.584 0.011 0.000 1.175 125 A CA 1.132 53.151 52.037 -0.029 0.000 0.627 125 A CB -0.642 18.343 19.000 -0.026 0.000 0.815 125 A HN 0.395 nan 8.150 nan 0.000 0.443 126 L N 0.139 121.392 121.223 0.050 0.000 2.027 126 L HA -0.103 4.237 4.340 -0.000 0.000 0.206 126 L C 2.181 179.091 176.870 0.066 0.000 1.074 126 L CA 1.559 56.443 54.840 0.074 0.000 0.745 126 L CB -0.497 41.636 42.059 0.124 0.000 0.898 126 L HN 0.370 nan 8.230 nan 0.000 0.433 127 I N -0.227 120.378 120.570 0.059 0.000 2.127 127 I HA -0.328 3.842 4.170 -0.000 0.000 0.241 127 I C 2.475 178.617 176.117 0.042 0.000 1.075 127 I CA 1.711 63.041 61.300 0.050 0.000 1.334 127 I CB -0.934 37.090 38.000 0.040 0.000 1.040 127 I HN 0.424 nan 8.210 nan 0.000 0.405 128 E N 0.079 120.295 120.200 0.025 0.000 2.209 128 E HA -0.224 4.126 4.350 -0.000 0.000 0.196 128 E C 2.360 178.983 176.600 0.038 0.000 0.993 128 E CA 0.867 57.278 56.400 0.018 0.000 0.819 128 E CB 0.032 29.720 29.700 -0.019 0.000 0.745 128 E HN 0.366 nan 8.360 nan 0.000 0.477 129 R N 0.197 120.720 120.500 0.038 0.000 2.055 129 R HA -0.052 4.288 4.340 -0.000 0.000 0.228 129 R C 2.444 178.817 176.300 0.122 0.000 1.143 129 R CA 1.019 57.153 56.100 0.056 0.000 0.945 129 R CB -0.237 30.095 30.300 0.053 0.000 0.841 129 R HN 0.183 nan 8.270 nan 0.000 0.429 130 I N 1.290 121.921 120.570 0.101 0.000 2.194 130 I HA -0.340 3.830 4.170 -0.000 0.000 0.246 130 I C 2.202 178.373 176.117 0.090 0.000 1.093 130 I CA 1.453 62.813 61.300 0.100 0.000 1.355 130 I CB -0.584 37.461 38.000 0.074 0.000 1.046 130 I HN 0.264 nan 8.210 nan 0.000 0.413 131 N N 0.837 119.585 118.700 0.080 0.000 2.094 131 N HA -0.303 4.437 4.740 -0.000 0.000 0.191 131 N C 1.927 177.481 175.510 0.073 0.000 1.023 131 N CA 1.720 54.806 53.050 0.061 0.000 0.857 131 N CB -0.412 38.107 38.487 0.053 0.000 1.013 131 N HN 0.391 nan 8.380 nan 0.000 0.426 132 Y N 0.702 120.984 120.300 -0.029 0.000 2.036 132 Y HA -0.177 4.373 4.550 -0.000 0.000 0.273 132 Y C 2.394 178.246 175.900 -0.079 0.000 1.135 132 Y CA 2.420 60.487 58.100 -0.055 0.000 1.106 132 Y CB -1.060 37.365 38.460 -0.058 0.000 0.976 132 Y HN 0.173 nan 8.280 nan 0.000 0.483 133 A N 0.680 123.530 122.820 0.050 0.000 1.903 133 A HA -0.280 4.040 4.320 -0.000 0.000 0.219 133 A C 2.328 179.889 177.584 -0.038 0.000 1.191 133 A CA 2.554 54.519 52.037 -0.121 0.000 0.638 133 A CB -1.429 17.504 19.000 -0.112 0.000 0.823 133 A HN 0.644 nan 8.150 nan 0.000 0.451 134 I N -1.166 119.400 120.570 -0.007 0.000 2.179 134 I HA -0.317 3.853 4.170 -0.000 0.000 0.242 134 I C 2.869 178.955 176.117 -0.051 0.000 1.088 134 I CA 1.874 63.175 61.300 0.002 0.000 1.357 134 I CB -0.535 37.469 38.000 0.007 0.000 1.051 134 I HN 0.512 nan 8.210 nan 0.000 0.409 135 Q N 1.045 120.779 119.800 -0.109 0.000 2.061 135 Q HA -0.282 4.058 4.340 -0.000 0.000 0.204 135 Q C 2.314 178.169 176.000 -0.241 0.000 0.984 135 Q CA 1.892 57.602 55.803 -0.156 0.000 0.846 135 Q CB -0.009 28.627 28.738 -0.170 0.000 0.902 135 Q HN 0.338 nan 8.270 nan 0.000 0.421 136 K N -0.763 119.396 120.400 -0.403 0.000 2.057 136 K HA -0.163 4.157 4.320 -0.000 0.000 0.206 136 K C 1.382 177.702 176.600 -0.467 0.000 1.050 136 K CA 1.308 57.281 56.287 -0.524 0.000 0.935 136 K CB 0.019 32.031 32.500 -0.813 0.000 0.715 136 K HN 0.239 nan 8.250 nan 0.000 0.439 137 Y N -0.055 120.104 120.300 -0.236 0.000 2.482 137 Y HA 0.215 4.765 4.550 -0.000 0.000 0.270 137 Y C 0.142 175.984 175.900 -0.098 0.000 1.152 137 Y CA 0.102 58.119 58.100 -0.138 0.000 1.292 137 Y CB 0.499 38.903 38.460 -0.094 0.000 1.070 137 Y HN -0.009 nan 8.280 nan 0.000 0.528 138 R N -0.230 120.270 120.500 -0.001 0.000 3.423 138 R HA -0.167 4.173 4.340 -0.000 0.000 0.271 138 R C -0.103 176.205 176.300 0.013 0.000 1.093 138 R CA 0.217 56.309 56.100 -0.014 0.000 0.730 138 R CB -1.636 28.647 30.300 -0.029 0.000 1.190 138 R HN 0.259 nan 8.270 nan 0.000 0.437 139 A N 0.524 123.362 122.820 0.031 0.000 2.371 139 A HA 0.431 4.751 4.320 -0.000 0.000 0.257 139 A C 1.027 178.604 177.584 -0.012 0.000 1.089 139 A CA -0.212 51.833 52.037 0.013 0.000 0.794 139 A CB 0.445 19.457 19.000 0.021 0.000 1.029 139 A HN 0.321 nan 8.150 nan 0.000 0.488 140 R N 0.333 120.812 120.500 -0.034 0.000 2.487 140 R HA 0.184 4.524 4.340 -0.000 0.000 0.272 140 R C -0.166 176.104 176.300 -0.050 0.000 0.928 140 R CA 0.355 56.432 56.100 -0.039 0.000 1.077 140 R CB 0.287 30.557 30.300 -0.050 0.000 1.265 140 R HN 0.752 nan 8.270 nan 0.000 0.537 141 R N 0.269 120.715 120.500 -0.091 0.000 2.686 141 R HA 0.666 5.006 4.340 -0.000 0.000 0.283 141 R C -1.047 175.209 176.300 -0.073 0.000 0.978 141 R CA -0.790 55.230 56.100 -0.134 0.000 0.897 141 R CB 2.970 32.984 30.300 -0.476 0.000 1.192 141 R HN -0.248 nan 8.270 nan 0.000 0.457 142 V N 1.273 121.212 119.914 0.041 0.000 2.808 142 V HA 0.404 4.524 4.120 -0.000 0.000 0.308 142 V C -0.682 175.465 176.094 0.088 0.000 1.099 142 V CA -0.708 61.619 62.300 0.045 0.000 0.920 142 V CB 2.456 34.304 31.823 0.042 0.000 1.014 142 V HN 0.826 nan 8.190 nan 0.000 0.425 143 S N 4.443 120.129 115.700 -0.023 0.000 2.566 143 S HA 0.809 5.279 4.470 -0.000 0.000 0.298 143 S C -0.720 173.740 174.600 -0.234 0.000 1.083 143 S CA -0.595 57.536 58.200 -0.116 0.000 0.978 143 S CB 1.887 64.920 63.200 -0.278 0.000 1.073 143 S HN 0.556 nan 8.310 nan 0.000 0.491 144 I N 1.890 122.349 120.570 -0.185 0.000 2.531 144 I HA 0.236 4.406 4.170 -0.000 0.000 0.283 144 I C -1.339 174.732 176.117 -0.076 0.000 1.083 144 I CA -0.492 60.736 61.300 -0.120 0.000 1.071 144 I CB 1.725 39.752 38.000 0.045 0.000 1.210 144 I HN 0.438 nan 8.210 nan 0.000 0.450 145 D N 5.424 125.733 120.400 -0.153 0.000 2.316 145 D HA 0.236 4.876 4.640 -0.000 0.000 0.245 145 D C 0.282 176.694 176.300 0.186 0.000 1.171 145 D CA 0.648 54.635 54.000 -0.021 0.000 0.856 145 D CB 0.843 41.607 40.800 -0.061 0.000 1.090 145 D HN 0.663 nan 8.370 nan 0.000 0.476 146 S N 1.260 117.044 115.700 0.141 0.000 3.578 146 S HA -0.192 4.278 4.470 -0.000 0.000 0.449 146 S C 1.072 175.728 174.600 0.094 0.000 0.853 146 S CA 0.464 58.743 58.200 0.132 0.000 1.348 146 S CB -2.443 60.837 63.200 0.134 0.000 0.907 146 S HN 0.558 nan 8.310 nan 0.000 0.627 147 V N -0.465 119.463 119.914 0.023 0.000 2.548 147 V HA -0.130 3.990 4.120 -0.000 0.000 0.249 147 V C 2.495 178.391 176.094 -0.330 0.000 1.055 147 V CA 1.859 64.000 62.300 -0.265 0.000 1.065 147 V CB -1.998 29.768 31.823 -0.095 0.000 0.681 147 V HN 0.834 nan 8.190 nan 0.000 0.462 148 T N 2.560 117.125 114.554 0.018 0.000 2.592 148 T HA -0.310 4.040 4.350 -0.000 0.000 0.267 148 T C 2.054 176.802 174.700 0.079 0.000 1.060 148 T CA 2.902 65.129 62.100 0.212 0.000 1.167 148 T CB -1.048 67.954 68.868 0.224 0.000 0.863 148 T HN 0.895 nan 8.240 nan 0.000 0.431 149 S N 1.004 116.687 115.700 -0.029 0.000 2.462 149 S HA -0.090 4.380 4.470 -0.000 0.000 0.243 149 S C 2.011 176.486 174.600 -0.208 0.000 1.003 149 S CA 0.952 59.117 58.200 -0.057 0.000 0.970 149 S CB -0.887 62.303 63.200 -0.018 0.000 0.762 149 S HN 0.326 nan 8.310 nan 0.000 0.510 150 V N 1.013 120.625 119.914 -0.504 0.000 2.346 150 V HA 0.009 4.129 4.120 -0.000 0.000 0.244 150 V C 1.766 177.566 176.094 -0.489 0.000 1.037 150 V CA 1.505 63.406 62.300 -0.665 0.000 1.029 150 V CB -0.642 30.517 31.823 -1.107 0.000 0.663 150 V HN 0.613 nan 8.190 nan 0.000 0.454 151 F N -0.639 119.196 119.950 -0.191 0.000 2.748 151 F HA 0.145 4.672 4.527 -0.000 0.000 0.299 151 F C 1.812 177.577 175.800 -0.058 0.000 1.154 151 F CA 0.101 58.010 58.000 -0.151 0.000 1.446 151 F CB -0.674 38.175 39.000 -0.251 0.000 1.112 151 F HN 0.113 nan 8.300 nan 0.000 0.584 152 Q N 1.550 121.431 119.800 0.135 0.000 2.271 152 Q HA -0.033 4.307 4.340 -0.000 0.000 0.206 152 Q C 0.957 176.951 176.000 -0.010 0.000 0.860 152 Q CA 0.543 56.421 55.803 0.124 0.000 0.991 152 Q CB -0.288 28.508 28.738 0.097 0.000 1.232 152 Q HN 0.657 nan 8.270 nan 0.000 0.410 153 Q N -0.586 119.150 119.800 -0.107 0.000 2.422 153 Q HA 0.031 4.371 4.340 -0.000 0.000 0.255 153 Q C -0.629 175.190 176.000 -0.302 0.000 0.864 153 Q CA 0.311 55.900 55.803 -0.357 0.000 0.968 153 Q CB 1.054 29.357 28.738 -0.724 0.000 1.130 153 Q HN 0.471 nan 8.270 nan 0.000 0.556 154 Y N -1.403 118.952 120.300 0.092 0.000 2.944 154 Y HA 0.319 4.869 4.550 -0.000 0.000 0.255 154 Y C -1.749 174.202 175.900 0.086 0.000 0.835 154 Y CA -1.305 56.843 58.100 0.079 0.000 1.393 154 Y CB -1.298 37.193 38.460 0.052 0.000 1.118 154 Y HN -0.166 nan 8.280 nan 0.000 0.487 155 D N 1.071 121.673 120.400 0.338 0.000 2.566 155 D HA 0.874 5.514 4.640 -0.000 0.000 0.254 155 D C -0.791 175.627 176.300 0.196 0.000 1.090 155 D CA -0.619 53.527 54.000 0.244 0.000 1.034 155 D CB 2.725 43.642 40.800 0.195 0.000 1.434 155 D HN 0.463 nan 8.370 nan 0.000 0.509 156 A N -0.095 122.788 122.820 0.105 0.000 2.435 156 A HA 0.483 4.803 4.320 -0.000 0.000 0.304 156 A C 1.038 178.638 177.584 0.027 0.000 1.064 156 A CA 0.070 52.169 52.037 0.104 0.000 0.727 156 A CB 1.516 20.555 19.000 0.066 0.000 1.284 156 A HN 0.598 nan 8.150 nan 0.000 0.415 157 S N 1.858 117.611 115.700 0.089 0.000 2.513 157 S HA -0.395 4.075 4.470 -0.000 0.000 0.311 157 S C 1.991 176.549 174.600 -0.070 0.000 1.227 157 S CA 3.058 61.274 58.200 0.026 0.000 1.234 157 S CB -1.746 61.487 63.200 0.055 0.000 1.244 157 S HN 2.111 nan 8.310 nan 0.000 0.445 158 S N 1.721 117.395 115.700 -0.044 0.000 2.400 158 S HA -0.058 4.412 4.470 -0.000 0.000 0.232 158 S C 1.832 176.390 174.600 -0.070 0.000 1.025 158 S CA 1.284 59.452 58.200 -0.053 0.000 0.993 158 S CB -1.055 62.124 63.200 -0.034 0.000 0.808 158 S HN 0.626 nan 8.310 nan 0.000 0.478 159 V N 1.190 121.054 119.914 -0.083 0.000 2.719 159 V HA -0.014 4.106 4.120 -0.000 0.000 0.252 159 V C 2.496 178.501 176.094 -0.148 0.000 1.065 159 V CA 0.957 63.215 62.300 -0.069 0.000 1.086 159 V CB -0.743 31.066 31.823 -0.023 0.000 0.700 159 V HN 0.419 nan 8.190 nan 0.000 0.467 160 V N 0.405 120.098 119.914 -0.369 0.000 2.255 160 V HA -0.211 3.909 4.120 -0.000 0.000 0.243 160 V C 2.570 178.471 176.094 -0.322 0.000 1.038 160 V CA 2.289 64.148 62.300 -0.736 0.000 1.008 160 V CB -0.748 30.302 31.823 -1.287 0.000 0.645 160 V HN 0.477 nan 8.190 nan 0.000 0.449 161 R N 0.126 120.503 120.500 -0.205 0.000 2.133 161 R HA -0.272 4.068 4.340 -0.000 0.000 0.245 161 R C 2.500 178.816 176.300 0.026 0.000 1.137 161 R CA 2.347 58.411 56.100 -0.059 0.000 0.947 161 R CB -0.333 29.938 30.300 -0.049 0.000 0.865 161 R HN 0.387 nan 8.270 nan 0.000 0.437 162 R N -0.357 120.148 120.500 0.008 0.000 2.081 162 R HA -0.100 4.240 4.340 -0.000 0.000 0.235 162 R C 2.180 178.578 176.300 0.164 0.000 1.131 162 R CA 1.548 57.697 56.100 0.082 0.000 0.960 162 R CB -0.089 30.236 30.300 0.042 0.000 0.856 162 R HN 0.328 nan 8.270 nan 0.000 0.436 163 E N 0.480 120.760 120.200 0.133 0.000 2.208 163 E HA -0.093 4.257 4.350 -0.000 0.000 0.193 163 E C 2.030 178.763 176.600 0.223 0.000 0.988 163 E CA 0.599 57.118 56.400 0.198 0.000 0.828 163 E CB 0.055 29.924 29.700 0.281 0.000 0.763 163 E HN 0.350 nan 8.360 nan 0.000 0.478 164 L N -0.194 121.156 121.223 0.211 0.000 1.971 164 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 164 L C 2.348 179.330 176.870 0.186 0.000 1.083 164 L CA 0.970 55.930 54.840 0.200 0.000 0.753 164 L CB -0.651 41.502 42.059 0.157 0.000 0.893 164 L HN 0.041 nan 8.230 nan 0.000 0.436 165 F N 1.044 121.025 119.950 0.052 0.000 2.060 165 F HA -0.428 4.099 4.527 -0.000 0.000 0.293 165 F C 2.838 178.668 175.800 0.050 0.000 1.096 165 F CA 2.384 60.411 58.000 0.045 0.000 1.241 165 F CB -0.492 38.530 39.000 0.035 0.000 0.959 165 F HN -0.011 nan 8.300 nan 0.000 0.499 166 R N -0.056 120.505 120.500 0.102 0.000 2.122 166 R HA -0.252 4.088 4.340 -0.000 0.000 0.236 166 R C 2.332 178.596 176.300 -0.059 0.000 1.129 166 R CA 2.269 58.363 56.100 -0.009 0.000 0.925 166 R CB -0.998 29.362 30.300 0.100 0.000 0.850 166 R HN 0.475 nan 8.270 nan 0.000 0.431 167 L N 0.749 121.981 121.223 0.015 0.000 1.990 167 L HA -0.197 4.143 4.340 -0.000 0.000 0.213 167 L C 2.250 179.107 176.870 -0.023 0.000 1.072 167 L CA 1.764 56.614 54.840 0.017 0.000 0.755 167 L CB -0.638 41.457 42.059 0.059 0.000 0.889 167 L HN 0.092 nan 8.230 nan 0.000 0.432 168 V N 0.192 120.084 119.914 -0.038 0.000 2.287 168 V HA -0.344 3.776 4.120 -0.000 0.000 0.248 168 V C 2.828 178.850 176.094 -0.122 0.000 1.053 168 V CA 1.874 64.140 62.300 -0.057 0.000 1.027 168 V CB -1.482 30.316 31.823 -0.041 0.000 0.646 168 V HN 0.669 nan 8.190 nan 0.000 0.447 169 A N -0.343 122.325 122.820 -0.253 0.000 1.902 169 A HA -0.207 4.113 4.320 -0.000 0.000 0.217 169 A C 2.330 179.823 177.584 -0.152 0.000 1.181 169 A CA 1.542 53.404 52.037 -0.291 0.000 0.623 169 A CB -0.448 18.218 19.000 -0.556 0.000 0.818 169 A HN 0.405 nan 8.150 nan 0.000 0.443 170 R N -0.573 119.861 120.500 -0.109 0.000 2.092 170 R HA 0.030 4.370 4.340 -0.000 0.000 0.231 170 R C 2.052 178.332 176.300 -0.033 0.000 1.119 170 R CA 0.960 57.029 56.100 -0.052 0.000 0.970 170 R CB -0.974 29.312 30.300 -0.024 0.000 0.864 170 R HN 0.588 nan 8.270 nan 0.000 0.440 171 L N 0.761 121.965 121.223 -0.031 0.000 2.017 171 L HA -0.146 4.194 4.340 -0.000 0.000 0.208 171 L C 2.660 179.520 176.870 -0.016 0.000 1.073 171 L CA 1.463 56.296 54.840 -0.012 0.000 0.745 171 L CB -0.370 41.687 42.059 -0.002 0.000 0.894 171 L HN 0.128 nan 8.230 nan 0.000 0.432 172 K N -0.263 120.118 120.400 -0.032 0.000 2.211 172 K HA -0.183 4.137 4.320 -0.000 0.000 0.203 172 K C 2.025 178.611 176.600 -0.023 0.000 1.050 172 K CA 1.150 57.422 56.287 -0.026 0.000 0.945 172 K CB 0.091 32.569 32.500 -0.036 0.000 0.732 172 K HN 0.403 nan 8.250 nan 0.000 0.451 173 Q N 0.168 119.950 119.800 -0.031 0.000 2.123 173 Q HA -0.065 4.275 4.340 -0.000 0.000 0.199 173 Q C 1.877 177.869 176.000 -0.014 0.000 0.966 173 Q CA 0.762 56.552 55.803 -0.022 0.000 0.845 173 Q CB 0.109 28.832 28.738 -0.026 0.000 0.907 173 Q HN 0.313 nan 8.270 nan 0.000 0.439 174 I N -0.105 120.458 120.570 -0.012 0.000 2.756 174 I HA -0.086 4.084 4.170 -0.000 0.000 0.262 174 I C 1.411 177.524 176.117 -0.006 0.000 1.225 174 I CA 1.448 62.744 61.300 -0.007 0.000 1.472 174 I CB -1.129 36.870 38.000 -0.001 0.000 1.094 174 I HN 0.437 nan 8.210 nan 0.000 0.454 175 G N 0.978 109.774 108.800 -0.006 0.000 2.143 175 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.249 175 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.249 175 G C 0.543 175.443 174.900 0.001 0.000 0.981 175 G CA 0.271 45.368 45.100 -0.004 0.000 0.665 175 G HN 0.685 nan 8.290 nan 0.000 0.528 176 A N -0.072 122.751 122.820 0.006 0.000 2.388 176 A HA 0.693 5.013 4.320 -0.000 0.000 0.257 176 A C 0.723 178.326 177.584 0.032 0.000 1.095 176 A CA 0.849 52.896 52.037 0.017 0.000 0.791 176 A CB 0.546 19.558 19.000 0.020 0.000 1.029 176 A HN 0.725 nan 8.150 nan 0.000 0.489 177 T N 3.384 117.971 114.554 0.056 0.000 3.316 177 T HA 0.329 4.679 4.350 -0.000 0.000 0.341 177 T C 0.442 175.239 174.700 0.161 0.000 1.397 177 T CA -0.006 62.149 62.100 0.092 0.000 1.085 177 T CB -0.473 68.466 68.868 0.119 0.000 1.160 177 T HN 0.728 nan 8.240 nan 0.000 0.694 178 T N 1.705 116.318 114.554 0.098 0.000 2.754 178 T HA 0.525 4.875 4.350 -0.000 0.000 0.286 178 T C 0.129 174.864 174.700 0.059 0.000 0.997 178 T CA -0.591 61.572 62.100 0.106 0.000 0.982 178 T CB 0.966 69.865 68.868 0.052 0.000 1.027 178 T HN 0.231 nan 8.240 nan 0.000 0.529 179 V N 1.347 121.292 119.914 0.050 0.000 2.697 179 V HA 0.369 4.489 4.120 -0.000 0.000 0.300 179 V C -0.834 175.257 176.094 -0.004 0.000 1.115 179 V CA -0.639 61.644 62.300 -0.028 0.000 0.912 179 V CB 1.659 33.445 31.823 -0.062 0.000 1.024 179 V HN 0.790 nan 8.190 nan 0.000 0.431 180 M N 2.947 122.540 119.600 -0.011 0.000 2.364 180 M HA 0.520 5.000 4.480 -0.000 0.000 0.334 180 M C -0.017 176.282 176.300 -0.002 0.000 1.107 180 M CA -0.123 55.181 55.300 0.006 0.000 0.988 180 M CB 2.225 34.842 32.600 0.028 0.000 1.673 180 M HN 0.610 nan 8.290 nan 0.000 0.441 181 T N 1.414 115.975 114.554 0.011 0.000 2.934 181 T HA 0.693 5.043 4.350 -0.000 0.000 0.283 181 T C -0.647 174.074 174.700 0.035 0.000 1.005 181 T CA -0.109 61.998 62.100 0.011 0.000 1.041 181 T CB 1.102 69.985 68.868 0.026 0.000 1.042 181 T HN 0.722 nan 8.240 nan 0.000 0.505 182 T N 2.344 116.914 114.554 0.027 0.000 2.889 182 T HA 0.364 4.714 4.350 -0.000 0.000 0.315 182 T C -1.299 173.425 174.700 0.041 0.000 1.291 182 T CA -0.933 61.197 62.100 0.051 0.000 1.028 182 T CB 1.556 70.455 68.868 0.052 0.000 1.235 182 T HN 0.708 nan 8.240 nan 0.000 0.491 183 E N 1.831 122.066 120.200 0.058 0.000 2.227 183 E HA 0.786 5.136 4.350 -0.000 0.000 0.268 183 E C -0.715 175.899 176.600 0.023 0.000 0.990 183 E CA -1.033 55.391 56.400 0.039 0.000 0.856 183 E CB 1.889 31.617 29.700 0.046 0.000 1.159 183 E HN 0.520 nan 8.360 nan 0.000 0.401 184 R N 0.374 120.875 120.500 0.002 0.000 2.817 184 R HA 0.445 4.785 4.340 -0.000 0.000 0.268 184 R C 0.543 176.830 176.300 -0.023 0.000 1.027 184 R CA -0.850 55.241 56.100 -0.014 0.000 0.928 184 R CB 0.837 31.126 30.300 -0.019 0.000 1.228 184 R HN 0.374 nan 8.270 nan 0.000 0.469 185 I N -0.553 119.998 120.570 -0.031 0.000 2.899 185 I HA 0.134 4.304 4.170 -0.000 0.000 0.257 185 I C 0.526 176.624 176.117 -0.032 0.000 1.115 185 I CA 0.752 62.033 61.300 -0.031 0.000 1.451 185 I CB -0.341 37.638 38.000 -0.035 0.000 1.251 185 I HN 0.573 nan 8.210 nan 0.000 0.456 186 E N 1.819 122.001 120.200 -0.030 0.000 2.216 186 E HA 0.073 4.423 4.350 -0.000 0.000 0.279 186 E C 0.422 176.983 176.600 -0.064 0.000 0.997 186 E CA -0.025 56.355 56.400 -0.033 0.000 0.817 186 E CB 2.333 32.031 29.700 -0.003 0.000 1.096 186 E HN 0.084 nan 8.360 nan 0.000 0.393 187 E N 2.643 122.761 120.200 -0.135 0.000 2.160 187 E HA -0.186 4.164 4.350 -0.000 0.000 0.195 187 E C 0.589 176.979 176.600 -0.350 0.000 0.991 187 E CA 1.621 57.846 56.400 -0.292 0.000 0.810 187 E CB 0.015 29.439 29.700 -0.459 0.000 0.742 187 E HN 0.589 nan 8.360 nan 0.000 0.466 188 Y N -2.054 118.245 120.300 -0.000 0.000 2.500 188 Y HA 0.324 4.874 4.550 -0.000 0.000 0.246 188 Y C 1.446 177.345 175.900 -0.002 0.000 1.146 188 Y CA -0.544 57.556 58.100 -0.001 0.000 1.230 188 Y CB 0.920 39.380 38.460 -0.000 0.000 1.214 188 Y HN 0.074 nan 8.280 nan 0.000 0.526 189 G N 1.857 110.728 108.800 0.119 0.000 2.913 189 G HA2 0.022 3.982 3.960 -0.000 0.000 0.145 189 G HA3 0.022 3.982 3.960 -0.000 0.000 0.145 189 G C -1.760 173.175 174.900 0.059 0.000 1.801 189 G CA -0.317 44.829 45.100 0.076 0.000 1.033 189 G HN -0.055 nan 8.290 nan 0.000 0.495 190 P HA 0.195 nan 4.420 nan 0.000 0.273 190 P C 0.308 177.614 177.300 0.010 0.000 1.250 190 P CA -0.386 62.731 63.100 0.029 0.000 0.793 190 P CB 1.306 33.018 31.700 0.020 0.000 1.011 191 I N 0.112 120.673 120.570 -0.015 0.000 2.339 191 I HA 0.015 4.185 4.170 -0.000 0.000 0.245 191 I C 1.581 177.678 176.117 -0.034 0.000 1.096 191 I CA 1.267 62.543 61.300 -0.041 0.000 1.408 191 I CB -1.111 36.826 38.000 -0.105 0.000 1.092 191 I HN 0.450 nan 8.210 nan 0.000 0.423 192 A N -0.796 122.009 122.820 -0.026 0.000 2.637 192 A HA 0.508 4.828 4.320 -0.000 0.000 0.258 192 A C 1.518 179.111 177.584 0.015 0.000 1.250 192 A CA -0.355 51.688 52.037 0.010 0.000 0.931 192 A CB 0.537 19.557 19.000 0.033 0.000 1.488 192 A HN 0.046 nan 8.150 nan 0.000 0.464 193 R N -1.906 118.621 120.500 0.044 0.000 2.052 193 R HA -0.019 4.320 4.340 -0.000 0.000 0.226 193 R C 1.485 177.656 176.300 -0.214 0.000 1.145 193 R CA 1.730 57.769 56.100 -0.103 0.000 0.952 193 R CB -0.468 29.734 30.300 -0.163 0.000 0.847 193 R HN 0.769 nan 8.270 nan 0.000 0.431 194 Y N -0.274 120.011 120.300 -0.026 0.000 2.546 194 Y HA 0.199 4.749 4.550 -0.000 0.000 0.287 194 Y C 1.252 177.147 175.900 -0.007 0.000 1.158 194 Y CA 0.548 58.624 58.100 -0.039 0.000 1.307 194 Y CB 0.035 38.430 38.460 -0.109 0.000 1.036 194 Y HN 0.330 nan 8.280 nan 0.000 0.532 195 G N 0.295 109.173 108.800 0.131 0.000 2.298 195 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.287 195 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.287 195 G C 0.254 175.281 174.900 0.213 0.000 1.075 195 G CA 0.576 45.755 45.100 0.132 0.000 0.960 195 G HN 0.310 nan 8.290 nan 0.000 0.502 196 V N -1.569 118.442 119.914 0.162 0.000 3.283 196 V HA 0.101 4.221 4.120 -0.000 0.000 0.265 196 V C 1.967 178.118 176.094 0.095 0.000 1.672 196 V CA 1.149 63.570 62.300 0.201 0.000 1.020 196 V CB 0.478 32.362 31.823 0.101 0.000 0.854 196 V HN 0.298 nan 8.190 nan 0.000 0.408 197 E N 1.321 121.528 120.200 0.013 0.000 2.150 197 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 197 E C 1.832 178.353 176.600 -0.132 0.000 0.985 197 E CA 1.327 57.715 56.400 -0.020 0.000 0.814 197 E CB -0.166 29.537 29.700 0.005 0.000 0.752 197 E HN 0.667 nan 8.360 nan 0.000 0.466 198 E N -0.521 119.472 120.200 -0.345 0.000 2.267 198 E HA -0.151 4.199 4.350 -0.000 0.000 0.197 198 E C 0.513 176.650 176.600 -0.770 0.000 0.998 198 E CA 0.934 56.921 56.400 -0.689 0.000 0.830 198 E CB -0.096 28.877 29.700 -1.213 0.000 0.751 198 E HN 0.340 nan 8.360 nan 0.000 0.491 199 F N -1.777 118.187 119.950 0.024 0.000 2.688 199 F HA 0.196 4.723 4.527 -0.000 0.000 0.310 199 F C 1.097 176.923 175.800 0.043 0.000 1.098 199 F CA -0.168 57.846 58.000 0.025 0.000 1.228 199 F CB 0.826 39.833 39.000 0.010 0.000 1.042 199 F HN -0.158 nan 8.300 nan 0.000 0.557 200 V N -1.785 118.216 119.914 0.145 0.000 3.605 200 V HA 0.159 4.279 4.120 -0.000 0.000 0.284 200 V C 0.872 177.040 176.094 0.123 0.000 1.386 200 V CA 0.180 62.584 62.300 0.172 0.000 1.053 200 V CB 0.112 32.044 31.823 0.183 0.000 0.857 200 V HN 0.072 nan 8.190 nan 0.000 0.436 201 S N 0.459 116.193 115.700 0.056 0.000 2.632 201 S HA 0.246 4.716 4.470 -0.000 0.000 0.271 201 S C 0.813 175.430 174.600 0.028 0.000 1.260 201 S CA -0.475 57.741 58.200 0.026 0.000 1.010 201 S CB 1.420 64.610 63.200 -0.017 0.000 0.965 201 S HN 0.342 nan 8.310 nan 0.000 0.534 202 D N 0.856 121.267 120.400 0.018 0.000 2.183 202 D HA 0.046 4.686 4.640 -0.000 0.000 0.205 202 D C -0.092 176.208 176.300 0.000 0.000 0.962 202 D CA 0.995 55.007 54.000 0.019 0.000 0.849 202 D CB 0.207 41.016 40.800 0.015 0.000 0.978 202 D HN 0.449 nan 8.370 nan 0.000 0.488 203 N N -0.080 118.608 118.700 -0.020 0.000 2.284 203 N HA 0.331 5.071 4.740 -0.000 0.000 0.289 203 N C -1.107 174.365 175.510 -0.064 0.000 1.179 203 N CA -0.456 52.567 53.050 -0.044 0.000 0.774 203 N CB 3.144 41.608 38.487 -0.038 0.000 1.548 203 N HN -0.275 nan 8.380 nan 0.000 0.473 204 V N 1.251 121.111 119.914 -0.090 0.000 2.482 204 V HA 0.351 4.471 4.120 -0.000 0.000 0.295 204 V C -0.403 175.625 176.094 -0.111 0.000 1.026 204 V CA -0.731 61.507 62.300 -0.103 0.000 0.856 204 V CB 1.929 33.682 31.823 -0.117 0.000 1.001 204 V HN 0.389 nan 8.190 nan 0.000 0.424 205 V N 6.458 126.301 119.914 -0.118 0.000 2.417 205 V HA 0.546 4.665 4.120 -0.000 0.000 0.291 205 V C -0.202 175.804 176.094 -0.147 0.000 1.024 205 V CA -0.396 61.827 62.300 -0.129 0.000 0.861 205 V CB 1.910 33.624 31.823 -0.181 0.000 0.985 205 V HN 0.681 nan 8.190 nan 0.000 0.436 206 I N 5.837 126.345 120.570 -0.102 0.000 2.406 206 I HA 0.457 4.627 4.170 -0.000 0.000 0.290 206 I C -0.704 175.388 176.117 -0.042 0.000 0.999 206 I CA -0.494 60.763 61.300 -0.072 0.000 1.124 206 I CB 1.838 39.818 38.000 -0.033 0.000 1.289 206 I HN 0.338 nan 8.210 nan 0.000 0.441 207 L N 6.922 128.122 121.223 -0.037 0.000 2.307 207 L HA 0.585 4.925 4.340 -0.000 0.000 0.284 207 L C -0.178 176.728 176.870 0.059 0.000 1.023 207 L CA -0.570 54.299 54.840 0.048 0.000 0.810 207 L CB 1.346 43.429 42.059 0.040 0.000 1.231 207 L HN 0.553 nan 8.230 nan 0.000 0.423 208 R N 1.787 122.346 120.500 0.098 0.000 2.854 208 R HA 0.368 4.708 4.340 -0.000 0.000 0.271 208 R C -0.615 175.687 176.300 0.003 0.000 0.994 208 R CA -0.730 55.373 56.100 0.004 0.000 0.945 208 R CB 2.091 32.360 30.300 -0.052 0.000 1.194 208 R HN 0.543 nan 8.270 nan 0.000 0.476 209 N N 0.910 119.577 118.700 -0.055 0.000 2.679 209 N HA 0.129 4.868 4.740 -0.000 0.000 0.302 209 N C -0.976 174.489 175.510 -0.075 0.000 1.941 209 N CA -0.190 52.825 53.050 -0.058 0.000 0.875 209 N CB 0.917 39.380 38.487 -0.040 0.000 1.278 209 N HN 0.198 nan 8.380 nan 0.000 0.490 210 V N 2.532 122.398 119.914 -0.081 0.000 2.625 210 V HA -0.134 3.985 4.120 -0.000 0.000 0.305 210 V C 1.522 177.593 176.094 -0.038 0.000 1.055 210 V CA 0.280 62.535 62.300 -0.074 0.000 1.209 210 V CB 0.193 32.007 31.823 -0.014 0.000 0.877 210 V HN 0.499 nan 8.190 nan 0.000 0.489 211 L N 4.138 125.340 121.223 -0.036 0.000 1.893 211 L HA 0.190 4.530 4.340 -0.000 0.000 0.218 211 L C 1.316 178.186 176.870 -0.000 0.000 1.124 211 L CA 1.688 56.517 54.840 -0.018 0.000 0.850 211 L CB -0.577 41.472 42.059 -0.017 0.000 0.904 211 L HN 1.073 nan 8.230 nan 0.000 0.462 212 E N -0.045 120.161 120.200 0.010 0.000 6.456 212 E HA -0.177 4.173 4.350 -0.000 0.000 0.224 212 E C 0.415 177.023 176.600 0.014 0.000 1.370 212 E CA 0.697 57.111 56.400 0.022 0.000 1.397 212 E CB -1.599 28.124 29.700 0.039 0.000 0.962 212 E HN 1.282 nan 8.360 nan 0.000 0.301 213 G N 4.556 113.363 108.800 0.011 0.000 2.295 213 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.287 213 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.287 213 G C 0.626 175.528 174.900 0.002 0.000 1.055 213 G CA 1.238 46.343 45.100 0.007 0.000 0.922 213 G HN 0.860 nan 8.290 nan 0.000 0.503 214 E N -2.862 117.338 120.200 -0.000 0.000 4.924 214 E HA -0.277 4.073 4.350 -0.000 0.000 0.229 214 E C 1.534 178.131 176.600 -0.006 0.000 0.912 214 E CA 1.843 58.241 56.400 -0.004 0.000 1.857 214 E CB -0.742 28.954 29.700 -0.006 0.000 1.787 214 E HN 0.631 nan 8.360 nan 0.000 0.427 215 R N 0.859 121.357 120.500 -0.003 0.000 2.668 215 R HA 0.408 4.748 4.340 -0.000 0.000 0.268 215 R C 0.558 176.851 176.300 -0.011 0.000 1.232 215 R CA -0.095 56.002 56.100 -0.006 0.000 1.166 215 R CB 0.254 30.555 30.300 0.000 0.000 1.179 215 R HN 0.036 nan 8.270 nan 0.000 0.606 216 R N 0.828 121.317 120.500 -0.019 0.000 2.533 216 R HA 0.306 4.646 4.340 -0.000 0.000 0.288 216 R C -0.701 175.575 176.300 -0.040 0.000 1.039 216 R CA -0.617 55.465 56.100 -0.029 0.000 0.909 216 R CB 2.324 32.603 30.300 -0.034 0.000 1.195 216 R HN 0.518 nan 8.270 nan 0.000 0.438 217 R N 3.124 123.601 120.500 -0.039 0.000 2.439 217 R HA 0.396 4.736 4.340 -0.000 0.000 0.310 217 R C -0.599 175.653 176.300 -0.081 0.000 0.955 217 R CA -0.689 55.383 56.100 -0.046 0.000 0.853 217 R CB 1.242 31.543 30.300 0.002 0.000 1.171 217 R HN 0.596 nan 8.270 nan 0.000 0.449 218 R N 2.020 122.407 120.500 -0.189 0.000 2.407 218 R HA 0.454 4.794 4.340 -0.000 0.000 0.303 218 R C -0.859 175.331 176.300 -0.183 0.000 0.981 218 R CA -0.762 55.160 56.100 -0.297 0.000 0.905 218 R CB 1.677 31.538 30.300 -0.732 0.000 1.099 218 R HN 0.661 nan 8.270 nan 0.000 0.459 219 T N -0.160 114.480 114.554 0.143 0.000 2.906 219 T HA 0.552 4.902 4.350 -0.000 0.000 0.295 219 T C -0.707 174.294 174.700 0.502 0.000 1.075 219 T CA -1.042 61.273 62.100 0.358 0.000 1.005 219 T CB 1.765 70.753 68.868 0.199 0.000 1.136 219 T HN 0.573 nan 8.240 nan 0.000 0.498 220 L N 0.759 122.219 121.223 0.394 0.000 2.385 220 L HA 0.779 5.119 4.340 -0.000 0.000 0.273 220 L C -0.759 176.186 176.870 0.126 0.000 0.990 220 L CA -0.471 54.467 54.840 0.164 0.000 0.821 220 L CB 1.742 43.796 42.059 -0.009 0.000 1.279 220 L HN 0.995 nan 8.230 nan 0.000 0.412 221 E N 4.851 125.080 120.200 0.049 0.000 2.272 221 E HA 0.480 4.830 4.350 -0.000 0.000 0.269 221 E C -1.529 175.052 176.600 -0.033 0.000 0.877 221 E CA -0.690 55.720 56.400 0.018 0.000 0.755 221 E CB 1.885 31.589 29.700 0.007 0.000 1.192 221 E HN 0.646 nan 8.360 nan 0.000 0.422 222 I N 6.588 127.119 120.570 -0.064 0.000 2.330 222 I HA 0.135 4.305 4.170 -0.000 0.000 0.286 222 I C 1.062 177.046 176.117 -0.221 0.000 1.025 222 I CA -0.381 60.797 61.300 -0.204 0.000 1.197 222 I CB 0.980 38.745 38.000 -0.391 0.000 1.358 222 I HN 0.680 nan 8.210 nan 0.000 0.467 223 L N 5.513 126.649 121.223 -0.145 0.000 2.044 223 L HA -0.020 4.320 4.340 -0.000 0.000 0.205 223 L C 0.852 177.691 176.870 -0.051 0.000 1.075 223 L CA 1.393 56.198 54.840 -0.060 0.000 0.747 223 L CB -0.031 41.997 42.059 -0.052 0.000 0.903 223 L HN 0.631 nan 8.230 nan 0.000 0.435 224 K N -0.848 119.463 120.400 -0.149 0.000 2.546 224 K HA 0.468 4.788 4.320 -0.000 0.000 0.264 224 K C -1.494 175.025 176.600 -0.135 0.000 0.937 224 K CA -0.702 55.540 56.287 -0.076 0.000 0.833 224 K CB 1.823 34.326 32.500 0.005 0.000 1.378 224 K HN -0.151 nan 8.250 nan 0.000 0.432 225 L N 3.371 124.571 121.223 -0.038 0.000 2.471 225 L HA 0.399 4.739 4.340 -0.000 0.000 0.263 225 L C -0.558 176.338 176.870 0.043 0.000 0.985 225 L CA -0.735 54.099 54.840 -0.011 0.000 0.868 225 L CB 1.737 43.805 42.059 0.016 0.000 1.203 225 L HN 0.731 nan 8.230 nan 0.000 0.429 226 R N 2.198 122.716 120.500 0.029 0.000 2.498 226 R HA 0.234 4.574 4.340 -0.000 0.000 0.334 226 R C 1.049 177.369 176.300 0.033 0.000 1.106 226 R CA 0.960 57.083 56.100 0.037 0.000 0.995 226 R CB 0.105 30.427 30.300 0.037 0.000 0.989 226 R HN 0.967 nan 8.270 nan 0.000 0.455 227 G N 1.231 110.050 108.800 0.033 0.000 2.421 227 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.188 227 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.188 227 G C 0.142 175.053 174.900 0.018 0.000 1.001 227 G CA -0.042 45.071 45.100 0.022 0.000 0.693 227 G HN 0.644 nan 8.290 nan 0.000 0.479 228 T N -1.198 113.376 114.554 0.034 0.000 2.778 228 T HA 0.780 5.130 4.350 -0.000 0.000 0.293 228 T C 0.204 174.912 174.700 0.013 0.000 1.144 228 T CA 0.463 62.578 62.100 0.025 0.000 1.010 228 T CB 1.565 70.458 68.868 0.041 0.000 1.325 228 T HN 1.384 nan 8.240 nan 0.000 0.515 229 S N -0.136 115.536 115.700 -0.048 0.000 2.713 229 S HA 0.879 5.349 4.470 -0.000 0.000 0.277 229 S C -0.354 174.049 174.600 -0.328 0.000 1.168 229 S CA -0.314 57.761 58.200 -0.208 0.000 0.994 229 S CB 0.385 63.474 63.200 -0.184 0.000 1.054 229 S HN 1.535 nan 8.310 nan 0.000 0.555 230 H N -2.530 116.210 119.070 -0.550 0.000 2.849 230 H HA 0.419 4.975 4.556 -0.000 0.000 0.271 230 H C -1.516 173.532 175.328 -0.466 0.000 1.461 230 H CA -1.125 54.511 56.048 -0.686 0.000 1.146 230 H CB 0.268 29.859 29.762 -0.285 0.000 1.834 230 H HN 0.570 nan 8.280 nan 0.000 0.555 231 M N 1.683 121.297 119.600 0.022 0.000 2.094 231 M HA 0.316 4.796 4.480 -0.000 0.000 0.348 231 M C -0.868 175.641 176.300 0.348 0.000 1.267 231 M CA -0.592 54.822 55.300 0.190 0.000 1.125 231 M CB 0.867 33.612 32.600 0.241 0.000 1.527 231 M HN 0.368 nan 8.290 nan 0.000 0.447 232 K N 2.372 122.855 120.400 0.139 0.000 2.401 232 K HA 0.536 4.855 4.320 -0.000 0.000 0.278 232 K C 0.469 177.068 176.600 -0.002 0.000 1.018 232 K CA 0.681 57.026 56.287 0.097 0.000 0.981 232 K CB 0.473 32.968 32.500 -0.008 0.000 0.933 232 K HN 0.870 nan 8.250 nan 0.000 0.477 233 G N 1.721 110.474 108.800 -0.079 0.000 2.612 233 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.686 233 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.686 233 G C -1.181 173.442 174.900 -0.462 0.000 1.274 233 G CA -1.024 43.920 45.100 -0.261 0.000 0.849 233 G HN 0.528 nan 8.290 nan 0.000 0.595 234 E N -0.410 119.575 120.200 -0.359 0.000 2.360 234 E HA 0.461 4.811 4.350 -0.000 0.000 0.269 234 E C -0.787 175.560 176.600 -0.423 0.000 1.022 234 E CA 0.348 56.606 56.400 -0.236 0.000 0.887 234 E CB 0.727 30.401 29.700 -0.044 0.000 0.990 234 E HN 0.423 nan 8.360 nan 0.000 0.426 235 Y N 2.172 122.557 120.300 0.141 0.000 2.457 235 Y HA 0.264 4.813 4.550 -0.000 0.000 0.343 235 Y C -2.104 173.942 175.900 0.243 0.000 0.994 235 Y CA -2.648 55.551 58.100 0.166 0.000 1.031 235 Y CB 2.000 40.538 38.460 0.131 0.000 1.246 235 Y HN 0.436 nan 8.280 nan 0.000 0.449 236 P HA 0.195 nan 4.420 nan 0.000 0.272 236 P C -1.069 176.515 177.300 0.473 0.000 1.223 236 P CA 0.236 63.569 63.100 0.389 0.000 0.784 236 P CB 1.080 33.005 31.700 0.376 0.000 0.923 237 F N -1.617 118.439 119.950 0.177 0.000 2.719 237 F HA 0.635 5.162 4.527 -0.000 0.000 0.309 237 F C -1.800 174.053 175.800 0.089 0.000 1.138 237 F CA -0.667 57.356 58.000 0.039 0.000 0.943 237 F CB 0.964 39.991 39.000 0.046 0.000 1.304 237 F HN 0.178 nan 8.300 nan 0.000 0.445 238 T N 3.255 117.916 114.554 0.179 0.000 2.900 238 T HA 0.649 4.999 4.350 -0.000 0.000 0.295 238 T C -0.685 174.157 174.700 0.237 0.000 1.044 238 T CA -0.607 61.536 62.100 0.072 0.000 0.995 238 T CB 1.950 70.906 68.868 0.146 0.000 1.072 238 T HN 0.649 nan 8.240 nan 0.000 0.473 239 I N 3.033 123.711 120.570 0.179 0.000 2.336 239 I HA 0.492 4.662 4.170 -0.000 0.000 0.292 239 I C 0.886 177.133 176.117 0.216 0.000 0.991 239 I CA -0.417 61.041 61.300 0.264 0.000 1.227 239 I CB 1.415 39.581 38.000 0.276 0.000 1.366 239 I HN 0.826 nan 8.210 nan 0.000 0.466 240 T N -0.273 114.433 114.554 0.253 0.000 2.626 240 T HA 0.259 4.609 4.350 -0.000 0.000 0.279 240 T C 0.400 175.222 174.700 0.203 0.000 0.983 240 T CA -0.665 61.545 62.100 0.183 0.000 1.059 240 T CB 1.318 70.283 68.868 0.162 0.000 1.396 240 T HN 0.410 nan 8.240 nan 0.000 0.519 241 D N 0.087 120.507 120.400 0.033 0.000 2.378 241 D HA 0.005 4.645 4.640 -0.000 0.000 0.227 241 D C 0.548 176.810 176.300 -0.064 0.000 1.012 241 D CA 0.724 54.664 54.000 -0.099 0.000 0.905 241 D CB -0.044 40.611 40.800 -0.242 0.000 0.895 241 D HN 0.453 nan 8.370 nan 0.000 0.532 242 H N -0.941 118.277 119.070 0.246 0.000 2.923 242 H HA 0.340 4.896 4.556 -0.000 0.000 0.268 242 H C 1.392 176.912 175.328 0.321 0.000 1.148 242 H CA 0.563 56.776 56.048 0.275 0.000 1.146 242 H CB 1.060 30.949 29.762 0.211 0.000 1.607 242 H HN 0.119 nan 8.280 nan 0.000 0.566 243 G N 0.870 109.902 108.800 0.387 0.000 2.512 243 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.210 243 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.210 243 G C -0.200 174.821 174.900 0.202 0.000 1.295 243 G CA -0.380 44.821 45.100 0.169 0.000 0.934 243 G HN 0.151 nan 8.290 nan 0.000 0.554 244 I N 0.842 121.501 120.570 0.148 0.000 2.938 244 I HA 0.376 4.546 4.170 -0.000 0.000 0.285 244 I C 0.542 176.748 176.117 0.148 0.000 1.182 244 I CA 0.197 61.610 61.300 0.189 0.000 1.388 244 I CB 1.053 39.098 38.000 0.076 0.000 1.390 244 I HN 0.609 nan 8.210 nan 0.000 0.600 245 N N 4.183 122.980 118.700 0.161 0.000 2.616 245 N HA 0.424 5.164 4.740 -0.000 0.000 0.281 245 N C -1.361 174.039 175.510 -0.184 0.000 1.145 245 N CA -0.338 52.699 53.050 -0.021 0.000 0.919 245 N CB 1.010 39.477 38.487 -0.033 0.000 1.509 245 N HN 0.376 nan 8.380 nan 0.000 0.537 246 I N 2.556 123.002 120.570 -0.207 0.000 2.437 246 I HA 0.445 4.614 4.170 -0.000 0.000 0.298 246 I C -0.602 175.291 176.117 -0.373 0.000 0.984 246 I CA -0.756 60.432 61.300 -0.187 0.000 1.214 246 I CB 1.135 39.136 38.000 0.002 0.000 1.365 246 I HN 0.384 nan 8.210 nan 0.000 0.469 247 F N 5.240 125.279 119.950 0.148 0.000 2.347 247 F HA 0.355 4.882 4.527 -0.000 0.000 0.366 247 F C -2.100 173.711 175.800 0.017 0.000 1.107 247 F CA -2.055 55.992 58.000 0.078 0.000 1.058 247 F CB 1.108 40.163 39.000 0.092 0.000 1.236 247 F HN 0.209 nan 8.300 nan 0.000 0.456 248 P HA 0.142 nan 4.420 nan 0.000 0.230 248 P C 0.860 178.145 177.300 -0.026 0.000 1.791 248 P CA 0.142 63.147 63.100 -0.159 0.000 1.020 248 P CB -0.017 31.580 31.700 -0.170 0.000 1.977 249 L N -0.561 120.724 121.223 0.103 0.000 2.551 249 L HA -0.100 4.240 4.340 -0.000 0.000 0.230 249 L C 1.900 178.830 176.870 0.099 0.000 1.163 249 L CA 1.564 56.472 54.840 0.114 0.000 0.826 249 L CB -0.709 41.441 42.059 0.153 0.000 0.943 249 L HN 0.333 nan 8.230 nan 0.000 0.452 250 G N -1.447 107.413 108.800 0.099 0.000 2.944 250 G HA2 0.231 4.190 3.960 -0.000 0.000 0.220 250 G HA3 0.231 4.190 3.960 -0.000 0.000 0.220 250 G C 1.455 176.379 174.900 0.040 0.000 1.100 250 G CA 0.573 45.741 45.100 0.114 0.000 0.780 250 G HN 0.329 nan 8.290 nan 0.000 0.539 251 A N 0.226 123.027 122.820 -0.032 0.000 2.178 251 A HA 0.417 4.737 4.320 -0.000 0.000 0.211 251 A C 1.387 178.962 177.584 -0.014 0.000 1.157 251 A CA -0.068 51.946 52.037 -0.039 0.000 0.780 251 A CB -0.271 18.671 19.000 -0.096 0.000 0.828 251 A HN 0.346 nan 8.150 nan 0.000 0.476 252 M N 2.374 121.976 119.600 0.004 0.000 2.720 252 M HA 0.066 4.546 4.480 -0.000 0.000 0.328 252 M C -0.027 176.280 176.300 0.011 0.000 1.682 252 M CA 0.080 55.390 55.300 0.017 0.000 1.381 252 M CB -0.159 32.458 32.600 0.028 0.000 1.868 252 M HN 0.299 nan 8.290 nan 0.000 0.459 253 R N 2.768 123.271 120.500 0.005 0.000 2.784 253 R HA 0.107 4.447 4.340 -0.000 0.000 0.266 253 R C -0.233 176.067 176.300 0.001 0.000 1.044 253 R CA -0.425 55.675 56.100 0.001 0.000 1.151 253 R CB 0.378 30.675 30.300 -0.004 0.000 1.037 253 R HN 0.615 nan 8.270 nan 0.000 0.478 254 L N 1.985 123.206 121.223 -0.002 0.000 2.598 254 L HA 0.187 4.527 4.340 -0.000 0.000 0.241 254 L C -0.542 176.323 176.870 -0.009 0.000 1.244 254 L CA 0.691 55.528 54.840 -0.006 0.000 1.198 254 L CB 0.333 42.388 42.059 -0.007 0.000 1.448 254 L HN 0.563 nan 8.230 nan 0.000 0.406 255 T N 0.994 115.543 114.554 -0.009 0.000 3.584 255 T HA 0.243 4.593 4.350 -0.000 0.000 0.259 255 T C -0.171 174.521 174.700 -0.013 0.000 1.009 255 T CA -0.513 61.581 62.100 -0.011 0.000 1.103 255 T CB 0.021 68.883 68.868 -0.009 0.000 1.099 255 T HN 0.361 nan 8.240 nan 0.000 0.539 256 Q N 1.107 120.898 119.800 -0.016 0.000 2.299 256 Q HA 0.436 4.776 4.340 -0.000 0.000 0.246 256 Q C 0.027 176.013 176.000 -0.023 0.000 0.935 256 Q CA -0.483 55.308 55.803 -0.020 0.000 0.887 256 Q CB 1.620 30.346 28.738 -0.021 0.000 1.223 256 Q HN 0.367 nan 8.270 nan 0.000 0.439 257 R N 0.639 121.126 120.500 -0.022 0.000 2.594 257 R HA 0.276 4.616 4.340 -0.000 0.000 0.272 257 R C -0.094 176.188 176.300 -0.030 0.000 1.074 257 R CA 0.037 56.123 56.100 -0.022 0.000 1.105 257 R CB 0.688 30.978 30.300 -0.015 0.000 1.008 257 R HN 0.564 nan 8.270 nan 0.000 0.472 258 S N 1.098 116.774 115.700 -0.039 0.000 2.647 258 S HA 0.379 4.849 4.470 -0.000 0.000 0.300 258 S C -0.712 173.854 174.600 -0.057 0.000 1.129 258 S CA -0.634 57.526 58.200 -0.067 0.000 1.029 258 S CB 1.023 64.163 63.200 -0.099 0.000 1.007 258 S HN 0.655 nan 8.310 nan 0.000 0.484 259 S N 3.700 119.374 115.700 -0.043 0.000 2.759 259 S HA 0.564 5.034 4.470 -0.000 0.000 0.310 259 S C 0.079 174.692 174.600 0.022 0.000 1.123 259 S CA -0.753 57.450 58.200 0.006 0.000 0.959 259 S CB 1.316 64.547 63.200 0.052 0.000 1.172 259 S HN 0.647 nan 8.310 nan 0.000 0.539 260 N N -0.172 118.602 118.700 0.123 0.000 2.187 260 N HA 0.234 4.974 4.740 -0.000 0.000 0.212 260 N C -0.145 175.585 175.510 0.366 0.000 1.152 260 N CA 0.055 53.280 53.050 0.292 0.000 0.872 260 N CB 0.576 39.187 38.487 0.205 0.000 1.025 260 N HN 0.406 nan 8.380 nan 0.000 0.514 261 V N 1.850 121.920 119.914 0.260 0.000 3.139 261 V HA 0.064 4.184 4.120 -0.000 0.000 0.307 261 V C 0.824 177.035 176.094 0.194 0.000 1.095 261 V CA 0.139 62.550 62.300 0.185 0.000 1.160 261 V CB 0.642 32.544 31.823 0.131 0.000 1.003 261 V HN 0.115 nan 8.190 nan 0.000 0.489 262 R N 1.236 121.787 120.500 0.087 0.000 2.803 262 R HA 0.822 5.162 4.340 -0.000 0.000 0.276 262 R C -1.493 174.833 176.300 0.043 0.000 0.978 262 R CA -0.619 55.496 56.100 0.024 0.000 0.939 262 R CB 2.089 32.364 30.300 -0.041 0.000 1.179 262 R HN 0.509 nan 8.270 nan 0.000 0.472 263 V N -0.462 119.481 119.914 0.049 0.000 2.808 263 V HA 0.310 4.430 4.120 -0.000 0.000 0.308 263 V C 0.380 176.448 176.094 -0.043 0.000 1.099 263 V CA -1.053 61.267 62.300 0.034 0.000 0.920 263 V CB 1.813 33.700 31.823 0.107 0.000 1.014 263 V HN 0.844 nan 8.190 nan 0.000 0.425 264 S N 2.028 117.669 115.700 -0.099 0.000 2.580 264 S HA 0.162 4.632 4.470 -0.000 0.000 0.266 264 S C 1.261 175.677 174.600 -0.307 0.000 1.354 264 S CA 0.391 58.477 58.200 -0.191 0.000 1.008 264 S CB 0.979 64.096 63.200 -0.138 0.000 0.898 264 S HN 1.478 nan 8.310 nan 0.000 0.555 265 S N 1.234 116.662 115.700 -0.454 0.000 2.539 265 S HA 0.412 4.882 4.470 -0.000 0.000 0.221 265 S C 1.389 175.904 174.600 -0.142 0.000 0.987 265 S CA 0.422 58.301 58.200 -0.535 0.000 0.929 265 S CB 0.112 62.744 63.200 -0.946 0.000 0.832 265 S HN 1.830 nan 8.310 nan 0.000 0.492 266 G N 0.521 109.243 108.800 -0.131 0.000 2.268 266 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.240 266 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.240 266 G C -0.006 174.836 174.900 -0.097 0.000 1.010 266 G CA 0.036 45.088 45.100 -0.080 0.000 0.618 266 G HN 0.922 nan 8.290 nan 0.000 0.516 267 V N 1.841 121.677 119.914 -0.129 0.000 2.443 267 V HA 0.469 4.589 4.120 -0.000 0.000 0.293 267 V C 1.609 177.633 176.094 -0.117 0.000 1.021 267 V CA -0.248 61.981 62.300 -0.118 0.000 0.848 267 V CB 1.528 33.272 31.823 -0.132 0.000 0.998 267 V HN 0.226 nan 8.190 nan 0.000 0.424 268 V N 4.050 123.913 119.914 -0.084 0.000 2.214 268 V HA -0.235 3.885 4.120 -0.000 0.000 0.245 268 V C 2.472 178.539 176.094 -0.045 0.000 1.047 268 V CA 2.210 64.471 62.300 -0.064 0.000 0.998 268 V CB -0.855 30.943 31.823 -0.043 0.000 0.633 268 V HN 0.911 nan 8.190 nan 0.000 0.446 269 R N 0.084 120.565 120.500 -0.031 0.000 2.134 269 R HA -0.224 4.116 4.340 -0.000 0.000 0.248 269 R C 2.183 178.482 176.300 -0.001 0.000 1.143 269 R CA 2.060 58.156 56.100 -0.006 0.000 0.957 269 R CB -1.084 29.213 30.300 -0.005 0.000 0.867 269 R HN 0.549 nan 8.270 nan 0.000 0.441 270 L N 0.086 121.288 121.223 -0.035 0.000 1.963 270 L HA -0.330 4.010 4.340 -0.000 0.000 0.220 270 L C 1.774 178.648 176.870 0.007 0.000 1.076 270 L CA 2.189 57.015 54.840 -0.024 0.000 0.772 270 L CB -0.640 41.378 42.059 -0.068 0.000 0.892 270 L HN 0.418 nan 8.230 nan 0.000 0.435 271 D N -0.431 119.935 120.400 -0.056 0.000 2.248 271 D HA -0.296 4.344 4.640 -0.000 0.000 0.189 271 D C 1.845 178.177 176.300 0.054 0.000 1.011 271 D CA 2.140 56.114 54.000 -0.044 0.000 0.868 271 D CB -0.261 40.486 40.800 -0.087 0.000 0.931 271 D HN 0.535 nan 8.370 nan 0.000 0.449 272 E N 0.341 120.580 120.200 0.064 0.000 2.021 272 E HA -0.193 4.156 4.350 -0.000 0.000 0.200 272 E C 2.378 179.123 176.600 0.242 0.000 1.015 272 E CA 1.164 57.647 56.400 0.137 0.000 0.824 272 E CB -0.238 29.528 29.700 0.110 0.000 0.762 272 E HN 0.292 nan 8.360 nan 0.000 0.454 273 M N 0.089 119.790 119.600 0.168 0.000 2.252 273 M HA -0.226 4.254 4.480 -0.000 0.000 0.257 273 M C 1.779 178.134 176.300 0.092 0.000 1.077 273 M CA 0.808 56.182 55.300 0.125 0.000 1.066 273 M CB -0.408 32.231 32.600 0.065 0.000 1.380 273 M HN 0.186 nan 8.290 nan 0.000 0.412 274 C N 0.817 120.204 119.300 0.144 0.000 2.396 274 C HA 0.350 4.810 4.460 -0.000 0.000 0.334 274 C C 1.807 176.911 174.990 0.189 0.000 1.313 274 C CA 0.228 59.337 59.018 0.151 0.000 1.719 274 C CB -1.731 26.148 27.740 0.232 0.000 1.893 274 C HN 0.886 nan 8.230 nan 0.000 0.589 275 G N 0.719 109.747 108.800 0.380 0.000 2.196 275 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.268 275 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.268 275 G C 0.730 175.751 174.900 0.202 0.000 0.975 275 G CA 0.417 45.819 45.100 0.503 0.000 0.648 275 G HN 1.553 nan 8.290 nan 0.000 0.538 276 G N -1.715 107.155 108.800 0.116 0.000 2.263 276 G HA2 0.581 4.541 3.960 -0.000 0.000 0.207 276 G HA3 0.581 4.541 3.960 -0.000 0.000 0.207 276 G C 1.242 176.128 174.900 -0.024 0.000 1.072 276 G CA 0.865 45.982 45.100 0.029 0.000 0.800 276 G HN 2.697 nan 8.290 nan 0.000 0.491 277 G N -0.586 108.204 108.800 -0.017 0.000 2.879 277 G HA2 0.124 4.084 3.960 -0.000 0.000 0.686 277 G HA3 0.124 4.084 3.960 -0.000 0.000 0.686 277 G C 0.250 175.165 174.900 0.025 0.000 1.115 277 G CA -0.359 44.702 45.100 -0.064 0.000 0.770 277 G HN 1.121 nan 8.290 nan 0.000 0.601 278 F N -0.206 119.701 119.950 -0.072 0.000 2.703 278 F HA 0.174 4.701 4.527 -0.000 0.000 0.324 278 F C 1.489 177.218 175.800 -0.118 0.000 1.174 278 F CA 0.096 58.051 58.000 -0.074 0.000 1.367 278 F CB 0.286 39.317 39.000 0.051 0.000 1.065 278 F HN 0.355 nan 8.300 nan 0.000 0.633 279 F N 0.995 121.093 119.950 0.245 0.000 2.384 279 F HA 0.152 4.679 4.527 -0.000 0.000 0.338 279 F C 1.257 177.150 175.800 0.154 0.000 1.103 279 F CA -0.458 57.632 58.000 0.150 0.000 1.157 279 F CB 1.315 40.366 39.000 0.086 0.000 1.167 279 F HN 0.416 nan 8.300 nan 0.000 0.529 280 K N 0.770 121.375 120.400 0.342 0.000 2.026 280 K HA -0.148 4.171 4.320 -0.000 0.000 0.208 280 K C -0.179 176.539 176.600 0.197 0.000 1.048 280 K CA 1.474 57.897 56.287 0.227 0.000 0.929 280 K CB -0.007 32.590 32.500 0.162 0.000 0.713 280 K HN 0.528 nan 8.250 nan 0.000 0.439 281 D N 1.390 121.896 120.400 0.177 0.000 2.563 281 D HA 0.109 4.748 4.640 -0.000 0.000 0.222 281 D C -1.002 175.350 176.300 0.086 0.000 1.145 281 D CA 0.072 54.129 54.000 0.094 0.000 1.001 281 D CB 0.867 41.683 40.800 0.027 0.000 1.049 281 D HN 0.239 nan 8.370 nan 0.000 0.515 282 S N 0.163 115.933 115.700 0.116 0.000 2.552 282 S HA 0.517 4.987 4.470 -0.000 0.000 0.272 282 S C -1.042 173.601 174.600 0.071 0.000 1.150 282 S CA -1.056 57.197 58.200 0.087 0.000 0.849 282 S CB 1.393 64.680 63.200 0.145 0.000 1.113 282 S HN 0.025 nan 8.310 nan 0.000 0.458 283 I N 2.649 123.257 120.570 0.062 0.000 2.336 283 I HA 0.414 4.584 4.170 -0.000 0.000 0.292 283 I C -0.544 175.588 176.117 0.025 0.000 0.991 283 I CA -0.834 60.545 61.300 0.132 0.000 1.227 283 I CB 1.117 39.218 38.000 0.168 0.000 1.366 283 I HN 0.642 nan 8.210 nan 0.000 0.466 284 I N 7.083 127.623 120.570 -0.051 0.000 2.354 284 I HA 0.332 4.502 4.170 -0.000 0.000 0.292 284 I C -0.309 175.765 176.117 -0.073 0.000 0.989 284 I CA -0.887 60.281 61.300 -0.220 0.000 1.188 284 I CB 1.664 39.349 38.000 -0.525 0.000 1.342 284 I HN 0.280 nan 8.210 nan 0.000 0.457 285 L N 6.544 127.725 121.223 -0.069 0.000 2.305 285 L HA 0.753 5.093 4.340 -0.000 0.000 0.284 285 L C -0.230 176.613 176.870 -0.046 0.000 1.013 285 L CA -0.385 54.456 54.840 0.002 0.000 0.819 285 L CB 1.402 43.475 42.059 0.023 0.000 1.227 285 L HN 0.684 nan 8.230 nan 0.000 0.417 286 A N 3.780 126.586 122.820 -0.024 0.000 2.328 286 A HA 0.731 5.051 4.320 -0.000 0.000 0.318 286 A C -0.142 177.435 177.584 -0.010 0.000 1.347 286 A CA -0.370 51.645 52.037 -0.037 0.000 0.842 286 A CB 0.124 19.095 19.000 -0.048 0.000 1.148 286 A HN 0.739 nan 8.150 nan 0.000 0.499 287 T N 0.075 114.613 114.554 -0.025 0.000 2.923 287 T HA 0.931 5.281 4.350 -0.000 0.000 0.281 287 T C 0.375 175.061 174.700 -0.022 0.000 0.995 287 T CA -0.244 61.844 62.100 -0.020 0.000 0.985 287 T CB 1.870 70.712 68.868 -0.044 0.000 1.114 287 T HN 1.929 nan 8.240 nan 0.000 0.548 288 G N -0.809 107.986 108.800 -0.008 0.000 2.350 288 G HA2 0.541 4.500 3.960 -0.000 0.000 0.305 288 G HA3 0.541 4.500 3.960 -0.000 0.000 0.305 288 G C -0.795 174.134 174.900 0.047 0.000 1.479 288 G CA -0.516 44.583 45.100 -0.001 0.000 0.949 288 G HN 0.915 nan 8.290 nan 0.000 0.651 289 A N 0.027 122.902 122.820 0.091 0.000 2.429 289 A HA 0.708 5.028 4.320 -0.000 0.000 0.242 289 A C 1.259 178.979 177.584 0.227 0.000 1.088 289 A CA 1.163 53.337 52.037 0.228 0.000 0.784 289 A CB 0.182 19.476 19.000 0.490 0.000 1.038 289 A HN 2.194 nan 8.150 nan 0.000 0.501 290 T N -0.643 114.054 114.554 0.238 0.000 2.906 290 T HA 0.398 4.748 4.350 -0.000 0.000 0.320 290 T C 1.491 176.361 174.700 0.284 0.000 1.088 290 T CA 1.580 63.792 62.100 0.187 0.000 1.120 290 T CB -0.087 68.852 68.868 0.119 0.000 1.000 290 T HN 2.401 nan 8.240 nan 0.000 0.550 291 G N 2.400 111.335 108.800 0.225 0.000 2.189 291 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.267 291 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.267 291 G C 1.008 176.041 174.900 0.220 0.000 0.975 291 G CA 1.399 46.667 45.100 0.280 0.000 0.644 291 G HN 1.370 nan 8.290 nan 0.000 0.537 292 T N -2.193 112.393 114.554 0.053 0.000 3.055 292 T HA 0.393 4.743 4.350 -0.000 0.000 0.265 292 T C 2.203 176.968 174.700 0.108 0.000 1.111 292 T CA 1.487 63.516 62.100 -0.119 0.000 1.118 292 T CB 0.158 68.926 68.868 -0.166 0.000 0.909 292 T HN 2.238 nan 8.240 nan 0.000 0.501 293 G N 1.133 110.012 108.800 0.132 0.000 2.215 293 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.198 293 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.198 293 G C 0.464 175.370 174.900 0.011 0.000 1.047 293 G CA 0.148 45.320 45.100 0.120 0.000 0.747 293 G HN 0.479 nan 8.290 nan 0.000 0.495 294 K N -0.146 120.276 120.400 0.037 0.000 2.062 294 K HA 0.080 4.400 4.320 -0.000 0.000 0.205 294 K C 2.701 179.310 176.600 0.016 0.000 1.051 294 K CA 1.880 58.171 56.287 0.008 0.000 0.941 294 K CB -0.437 32.086 32.500 0.038 0.000 0.719 294 K HN 0.339 nan 8.250 nan 0.000 0.440 295 T N 2.094 116.697 114.554 0.083 0.000 2.624 295 T HA -0.212 4.138 4.350 -0.000 0.000 0.268 295 T C 1.612 176.331 174.700 0.032 0.000 1.041 295 T CA 1.633 63.816 62.100 0.138 0.000 1.159 295 T CB -0.458 68.570 68.868 0.267 0.000 0.863 295 T HN 0.104 nan 8.240 nan 0.000 0.434 296 L N 1.318 122.413 121.223 -0.213 0.000 1.957 296 L HA -0.141 4.199 4.340 -0.000 0.000 0.228 296 L C 2.316 178.958 176.870 -0.379 0.000 1.086 296 L CA 1.773 56.126 54.840 -0.812 0.000 0.796 296 L CB -1.222 40.150 42.059 -1.145 0.000 0.900 296 L HN 0.294 nan 8.230 nan 0.000 0.439 297 L N -1.278 119.781 121.223 -0.273 0.000 2.054 297 L HA -0.373 3.967 4.340 -0.000 0.000 0.220 297 L C 2.457 179.322 176.870 -0.009 0.000 1.081 297 L CA 1.971 56.721 54.840 -0.149 0.000 0.780 297 L CB -0.848 41.134 42.059 -0.129 0.000 0.893 297 L HN 0.299 nan 8.230 nan 0.000 0.438 298 V N -0.973 118.963 119.914 0.036 0.000 2.255 298 V HA -0.328 3.792 4.120 -0.000 0.000 0.247 298 V C 2.532 178.765 176.094 0.232 0.000 1.051 298 V CA 2.151 64.542 62.300 0.152 0.000 1.018 298 V CB -0.472 31.435 31.823 0.140 0.000 0.641 298 V HN 0.423 nan 8.190 nan 0.000 0.445 299 S N -0.615 115.213 115.700 0.213 0.000 2.380 299 S HA -0.329 4.141 4.470 -0.000 0.000 0.229 299 S C 2.119 176.893 174.600 0.290 0.000 1.043 299 S CA 2.234 60.664 58.200 0.385 0.000 1.038 299 S CB -0.422 62.953 63.200 0.292 0.000 0.872 299 S HN 0.477 nan 8.310 nan 0.000 0.456 300 R N 0.380 120.944 120.500 0.107 0.000 2.092 300 R HA 0.049 4.389 4.340 -0.000 0.000 0.231 300 R C 1.883 178.242 176.300 0.098 0.000 1.119 300 R CA 1.137 57.270 56.100 0.055 0.000 0.970 300 R CB -0.666 29.608 30.300 -0.044 0.000 0.864 300 R HN 0.456 nan 8.270 nan 0.000 0.440 301 F N -0.555 119.391 119.950 -0.006 0.000 2.234 301 F HA -0.086 4.440 4.527 -0.000 0.000 0.299 301 F C 1.796 177.607 175.800 0.018 0.000 1.087 301 F CA 1.093 59.088 58.000 -0.008 0.000 1.340 301 F CB -0.271 38.745 39.000 0.028 0.000 1.031 301 F HN -0.126 nan 8.300 nan 0.000 0.500 302 V N 0.408 120.330 119.914 0.013 0.000 2.407 302 V HA -0.193 3.927 4.120 -0.000 0.000 0.245 302 V C 2.403 178.449 176.094 -0.080 0.000 1.041 302 V CA 2.018 64.258 62.300 -0.100 0.000 1.040 302 V CB -0.294 31.512 31.823 -0.029 0.000 0.671 302 V HN 0.459 nan 8.190 nan 0.000 0.455 303 E N 0.468 120.712 120.200 0.074 0.000 2.021 303 E HA -0.343 4.007 4.350 -0.000 0.000 0.200 303 E C 2.154 178.750 176.600 -0.007 0.000 1.015 303 E CA 1.915 58.384 56.400 0.115 0.000 0.824 303 E CB -0.522 29.287 29.700 0.181 0.000 0.762 303 E HN 0.612 nan 8.360 nan 0.000 0.454 304 N N 0.590 119.258 118.700 -0.052 0.000 2.182 304 N HA -0.232 4.508 4.740 -0.000 0.000 0.192 304 N C 1.650 177.088 175.510 -0.121 0.000 1.007 304 N CA 1.657 54.652 53.050 -0.092 0.000 0.873 304 N CB -0.251 38.165 38.487 -0.119 0.000 0.998 304 N HN 0.298 nan 8.380 nan 0.000 0.436 305 A N 0.043 122.755 122.820 -0.179 0.000 1.930 305 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 305 A C 2.786 180.318 177.584 -0.087 0.000 1.175 305 A CA 1.250 53.189 52.037 -0.163 0.000 0.627 305 A CB -0.776 18.089 19.000 -0.225 0.000 0.815 305 A HN 0.570 nan 8.150 nan 0.000 0.443 306 C N -1.005 118.258 119.300 -0.062 0.000 2.457 306 C HA 0.197 4.657 4.460 -0.000 0.000 0.278 306 C C 3.197 178.177 174.990 -0.016 0.000 1.309 306 C CA 0.419 59.422 59.018 -0.024 0.000 1.735 306 C CB -1.218 26.522 27.740 -0.000 0.000 1.992 306 C HN 0.694 nan 8.230 nan 0.000 0.493 307 A N 0.977 123.785 122.820 -0.020 0.000 2.067 307 A HA -0.130 4.190 4.320 -0.000 0.000 0.219 307 A C 1.799 179.368 177.584 -0.025 0.000 1.158 307 A CA 1.439 53.466 52.037 -0.017 0.000 0.661 307 A CB -0.430 18.557 19.000 -0.021 0.000 0.801 307 A HN 0.704 nan 8.150 nan 0.000 0.452 308 N N -0.509 118.169 118.700 -0.037 0.000 2.280 308 N HA 0.050 4.790 4.740 -0.000 0.000 0.192 308 N C -0.730 174.761 175.510 -0.031 0.000 1.109 308 N CA 0.277 53.306 53.050 -0.036 0.000 0.855 308 N CB 0.204 38.663 38.487 -0.046 0.000 0.974 308 N HN 0.417 nan 8.380 nan 0.000 0.482 309 K N 1.011 121.394 120.400 -0.029 0.000 3.315 309 K HA -0.125 4.194 4.320 -0.000 0.000 0.270 309 K C -1.001 175.578 176.600 -0.035 0.000 1.139 309 K CA 0.571 56.842 56.287 -0.027 0.000 0.806 309 K CB -1.361 31.125 32.500 -0.024 0.000 1.300 309 K HN 0.372 nan 8.250 nan 0.000 0.475 310 E N 0.225 120.403 120.200 -0.037 0.000 2.410 310 E HA 0.463 4.812 4.350 -0.000 0.000 0.269 310 E C -0.612 175.974 176.600 -0.024 0.000 0.937 310 E CA -1.217 55.159 56.400 -0.040 0.000 0.793 310 E CB 1.935 31.606 29.700 -0.047 0.000 1.314 310 E HN 0.106 nan 8.360 nan 0.000 0.447 311 R N 0.378 120.871 120.500 -0.013 0.000 2.407 311 R HA 0.761 5.101 4.340 -0.000 0.000 0.303 311 R C -1.075 175.308 176.300 0.138 0.000 0.981 311 R CA -0.583 55.563 56.100 0.078 0.000 0.905 311 R CB 1.726 31.987 30.300 -0.064 0.000 1.099 311 R HN 0.504 nan 8.270 nan 0.000 0.459 312 A N 3.702 126.631 122.820 0.181 0.000 2.547 312 A HA 0.559 4.879 4.320 -0.000 0.000 0.297 312 A C -0.873 176.711 177.584 -0.000 0.000 1.056 312 A CA -0.720 51.363 52.037 0.078 0.000 0.688 312 A CB 1.141 20.113 19.000 -0.046 0.000 1.282 312 A HN 0.640 nan 8.150 nan 0.000 0.400 313 I N 1.561 122.120 120.570 -0.019 0.000 2.525 313 I HA 0.565 4.734 4.170 -0.000 0.000 0.301 313 I C -0.777 175.243 176.117 -0.162 0.000 0.992 313 I CA -0.998 60.165 61.300 -0.227 0.000 1.162 313 I CB 1.848 39.644 38.000 -0.339 0.000 1.332 313 I HN 0.563 nan 8.210 nan 0.000 0.458 314 L N 5.635 126.667 121.223 -0.318 0.000 2.349 314 L HA 0.557 4.897 4.340 -0.000 0.000 0.278 314 L C -1.669 175.045 176.870 -0.261 0.000 0.996 314 L CA -0.058 54.695 54.840 -0.144 0.000 0.825 314 L CB 1.013 42.983 42.059 -0.147 0.000 1.243 314 L HN 0.272 nan 8.230 nan 0.000 0.412 315 F N 4.999 124.966 119.950 0.029 0.000 2.332 315 F HA 0.727 5.254 4.527 -0.000 0.000 0.368 315 F C 0.598 176.385 175.800 -0.021 0.000 1.110 315 F CA -0.423 57.572 58.000 -0.008 0.000 1.087 315 F CB 1.479 40.609 39.000 0.217 0.000 1.235 315 F HN 0.678 nan 8.300 nan 0.000 0.470 316 A N 3.304 126.073 122.820 -0.084 0.000 2.260 316 A HA 0.572 4.892 4.320 -0.000 0.000 0.314 316 A C -0.925 176.506 177.584 -0.254 0.000 1.257 316 A CA -0.371 51.644 52.037 -0.037 0.000 0.871 316 A CB 0.160 19.147 19.000 -0.022 0.000 1.166 316 A HN 0.766 nan 8.150 nan 0.000 0.522 317 Y N 0.498 120.823 120.300 0.042 0.000 2.531 317 Y HA 0.214 4.764 4.550 -0.000 0.000 0.249 317 Y C 1.423 177.299 175.900 -0.040 0.000 1.168 317 Y CA 0.027 58.120 58.100 -0.012 0.000 1.226 317 Y CB 0.610 39.069 38.460 -0.001 0.000 1.177 317 Y HN 0.797 nan 8.280 nan 0.000 0.527 318 E N -0.172 120.079 120.200 0.084 0.000 2.414 318 E HA 0.130 4.480 4.350 -0.000 0.000 0.208 318 E C -0.074 176.522 176.600 -0.008 0.000 0.820 318 E CA 0.217 56.647 56.400 0.051 0.000 1.143 318 E CB 0.835 30.593 29.700 0.097 0.000 1.150 318 E HN 0.353 nan 8.360 nan 0.000 0.540 319 E N 1.397 121.589 120.200 -0.013 0.000 2.227 319 E HA 0.269 4.619 4.350 -0.000 0.000 0.268 319 E C -0.722 175.838 176.600 -0.066 0.000 0.907 319 E CA -0.526 55.862 56.400 -0.020 0.000 0.786 319 E CB 2.045 31.768 29.700 0.039 0.000 1.191 319 E HN -0.016 nan 8.360 nan 0.000 0.411 320 S N 1.362 117.024 115.700 -0.064 0.000 2.589 320 S HA 0.079 4.549 4.470 -0.000 0.000 0.265 320 S C 1.012 175.591 174.600 -0.036 0.000 1.342 320 S CA -0.531 57.627 58.200 -0.070 0.000 1.005 320 S CB 0.878 64.051 63.200 -0.044 0.000 0.909 320 S HN 0.574 nan 8.310 nan 0.000 0.555 321 R N 1.002 121.477 120.500 -0.042 0.000 2.189 321 R HA -0.003 4.337 4.340 -0.000 0.000 0.223 321 R C 2.132 178.438 176.300 0.011 0.000 1.092 321 R CA 1.054 57.140 56.100 -0.023 0.000 0.989 321 R CB -0.899 29.374 30.300 -0.045 0.000 0.876 321 R HN 0.723 nan 8.270 nan 0.000 0.457 322 A N 1.612 124.433 122.820 0.001 0.000 1.843 322 A HA -0.156 4.164 4.320 -0.000 0.000 0.213 322 A C 2.183 179.774 177.584 0.013 0.000 1.202 322 A CA 0.877 52.918 52.037 0.006 0.000 0.607 322 A CB -0.448 18.549 19.000 -0.006 0.000 0.847 322 A HN 0.297 nan 8.150 nan 0.000 0.445 323 Q N -0.495 119.308 119.800 0.004 0.000 2.124 323 Q HA -0.084 4.256 4.340 -0.000 0.000 0.202 323 Q C 1.950 177.965 176.000 0.027 0.000 0.977 323 Q CA 1.128 56.931 55.803 -0.001 0.000 0.850 323 Q CB -0.224 28.510 28.738 -0.007 0.000 0.901 323 Q HN 0.649 nan 8.270 nan 0.000 0.429 324 L N 0.353 121.616 121.223 0.066 0.000 2.263 324 L HA -0.218 4.122 4.340 -0.000 0.000 0.216 324 L C 2.035 179.029 176.870 0.206 0.000 1.111 324 L CA 0.776 55.705 54.840 0.149 0.000 0.773 324 L CB -0.065 42.090 42.059 0.160 0.000 0.906 324 L HN 0.363 nan 8.230 nan 0.000 0.439 325 L N -1.347 119.963 121.223 0.145 0.000 2.253 325 L HA -0.070 4.270 4.340 -0.000 0.000 0.205 325 L C 2.662 179.566 176.870 0.057 0.000 1.078 325 L CA 0.425 55.356 54.840 0.151 0.000 0.805 325 L CB -0.198 41.947 42.059 0.144 0.000 0.963 325 L HN 0.149 nan 8.230 nan 0.000 0.459 326 R N 0.471 120.973 120.500 0.004 0.000 2.082 326 R HA -0.198 4.142 4.340 -0.000 0.000 0.234 326 R C 1.948 178.197 176.300 -0.086 0.000 1.136 326 R CA 2.210 58.283 56.100 -0.045 0.000 0.935 326 R CB -0.262 29.996 30.300 -0.070 0.000 0.842 326 R HN 0.345 nan 8.270 nan 0.000 0.430 327 N N 0.783 119.387 118.700 -0.161 0.000 2.149 327 N HA -0.174 4.566 4.740 -0.000 0.000 0.188 327 N C 1.655 176.964 175.510 -0.334 0.000 1.019 327 N CA 1.601 54.410 53.050 -0.401 0.000 0.857 327 N CB -0.515 37.708 38.487 -0.440 0.000 0.997 327 N HN 0.411 nan 8.380 nan 0.000 0.426 328 A N -0.009 122.758 122.820 -0.089 0.000 1.972 328 A HA -0.154 4.165 4.320 -0.000 0.000 0.219 328 A C 2.114 179.616 177.584 -0.138 0.000 1.169 328 A CA 0.925 52.873 52.037 -0.148 0.000 0.635 328 A CB -0.747 17.853 19.000 -0.666 0.000 0.810 328 A HN 0.394 nan 8.150 nan 0.000 0.446 329 Y N 0.545 120.740 120.300 -0.176 0.000 2.243 329 Y HA -0.091 4.459 4.550 -0.000 0.000 0.293 329 Y C 2.725 178.572 175.900 -0.087 0.000 1.124 329 Y CA 1.618 59.649 58.100 -0.115 0.000 1.159 329 Y CB -0.059 38.350 38.460 -0.086 0.000 1.008 329 Y HN 0.299 nan 8.280 nan 0.000 0.527 330 S N -0.653 115.079 115.700 0.054 0.000 2.440 330 S HA -0.199 4.271 4.470 -0.000 0.000 0.238 330 S C 0.725 175.293 174.600 -0.053 0.000 1.010 330 S CA 0.978 59.146 58.200 -0.054 0.000 0.972 330 S CB -0.390 62.667 63.200 -0.239 0.000 0.774 330 S HN 0.530 nan 8.310 nan 0.000 0.501 331 W N 2.029 123.284 121.300 -0.075 0.000 3.269 331 W HA 0.454 5.114 4.660 -0.000 0.000 0.413 331 W C 1.333 177.754 176.519 -0.163 0.000 1.057 331 W CA -0.073 57.214 57.345 -0.097 0.000 1.953 331 W CB -1.200 28.203 29.460 -0.095 0.000 1.053 331 W HN 0.402 nan 8.180 nan 0.000 0.753 332 G N 2.044 110.816 108.800 -0.047 0.000 2.509 332 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.259 332 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.259 332 G C 0.383 175.113 174.900 -0.283 0.000 1.169 332 G CA 0.247 45.225 45.100 -0.203 0.000 0.953 332 G HN 0.452 nan 8.290 nan 0.000 0.563 333 M N -0.798 118.677 119.600 -0.209 0.000 4.033 333 M HA -0.120 4.360 4.480 -0.000 0.000 0.159 333 M C -0.655 175.494 176.300 -0.252 0.000 1.531 333 M CA 1.469 56.654 55.300 -0.191 0.000 1.093 333 M CB -0.752 31.751 32.600 -0.162 0.000 1.347 333 M HN 0.760 nan 8.290 nan 0.000 0.205 334 D N 4.358 124.687 120.400 -0.119 0.000 2.339 334 D HA 0.308 4.948 4.640 -0.000 0.000 0.241 334 D C 0.091 176.523 176.300 0.220 0.000 1.183 334 D CA -0.239 53.786 54.000 0.042 0.000 0.859 334 D CB 0.234 41.090 40.800 0.094 0.000 1.067 334 D HN 0.687 nan 8.370 nan 0.000 0.484 335 F N 1.645 121.657 119.950 0.102 0.000 2.367 335 F HA -0.093 4.434 4.527 -0.000 0.000 0.298 335 F C 2.247 178.082 175.800 0.058 0.000 1.094 335 F CA -0.198 57.843 58.000 0.069 0.000 1.409 335 F CB 0.500 39.541 39.000 0.068 0.000 1.064 335 F HN 0.374 nan 8.300 nan 0.000 0.528 336 E N 0.861 121.219 120.200 0.263 0.000 2.048 336 E HA -0.298 4.052 4.350 -0.000 0.000 0.202 336 E C 1.880 178.552 176.600 0.119 0.000 1.021 336 E CA 1.718 58.211 56.400 0.155 0.000 0.825 336 E CB -0.412 29.366 29.700 0.131 0.000 0.756 336 E HN 0.332 nan 8.360 nan 0.000 0.454 337 E N 0.317 120.591 120.200 0.125 0.000 2.070 337 E HA -0.172 4.178 4.350 -0.000 0.000 0.197 337 E C 2.079 178.729 176.600 0.082 0.000 1.004 337 E CA 1.354 57.809 56.400 0.091 0.000 0.805 337 E CB -0.180 29.572 29.700 0.087 0.000 0.744 337 E HN 0.145 nan 8.360 nan 0.000 0.451 338 M N 0.326 119.991 119.600 0.107 0.000 2.143 338 M HA -0.209 4.271 4.480 -0.000 0.000 0.258 338 M C 1.974 178.292 176.300 0.031 0.000 1.071 338 M CA 1.688 57.030 55.300 0.069 0.000 1.088 338 M CB -0.910 31.736 32.600 0.078 0.000 1.360 338 M HN 0.247 nan 8.290 nan 0.000 0.404 339 E N -0.290 119.927 120.200 0.029 0.000 2.107 339 E HA -0.118 4.232 4.350 -0.000 0.000 0.191 339 E C 2.190 178.812 176.600 0.036 0.000 0.982 339 E CA 0.707 57.112 56.400 0.009 0.000 0.809 339 E CB 0.001 29.701 29.700 0.001 0.000 0.756 339 E HN 0.568 nan 8.360 nan 0.000 0.459 340 R N 1.019 121.545 120.500 0.043 0.000 2.061 340 R HA -0.083 4.257 4.340 -0.000 0.000 0.230 340 R C 2.228 178.554 176.300 0.043 0.000 1.140 340 R CA 1.046 57.171 56.100 0.041 0.000 0.940 340 R CB -0.302 30.022 30.300 0.041 0.000 0.839 340 R HN 0.128 nan 8.270 nan 0.000 0.429 341 Q N 0.877 120.703 119.800 0.043 0.000 2.576 341 Q HA -0.107 4.233 4.340 -0.000 0.000 0.218 341 Q C -0.414 175.609 176.000 0.039 0.000 0.983 341 Q CA 0.352 56.176 55.803 0.035 0.000 0.920 341 Q CB -0.300 28.456 28.738 0.031 0.000 0.973 341 Q HN 0.290 nan 8.270 nan 0.000 0.528 342 N N -0.873 117.866 118.700 0.065 0.000 2.727 342 N HA -0.196 4.544 4.740 -0.000 0.000 0.251 342 N C -0.323 175.251 175.510 0.105 0.000 1.040 342 N CA 0.478 53.590 53.050 0.103 0.000 0.712 342 N CB -0.948 37.572 38.487 0.055 0.000 0.912 342 N HN 0.282 nan 8.380 nan 0.000 0.545 343 L N -2.032 119.278 121.223 0.146 0.000 2.758 343 L HA 0.289 4.629 4.340 -0.000 0.000 0.234 343 L C 0.314 177.315 176.870 0.218 0.000 1.049 343 L CA -0.036 54.882 54.840 0.130 0.000 0.908 343 L CB 0.248 42.334 42.059 0.046 0.000 1.362 343 L HN 0.249 nan 8.230 nan 0.000 0.499 344 L N 1.439 122.728 121.223 0.108 0.000 2.334 344 L HA 0.485 4.825 4.340 -0.000 0.000 0.276 344 L C -1.063 175.707 176.870 -0.167 0.000 1.014 344 L CA -0.070 54.743 54.840 -0.045 0.000 0.815 344 L CB 1.731 43.689 42.059 -0.168 0.000 1.268 344 L HN 0.051 nan 8.230 nan 0.000 0.428 345 K N 5.733 125.899 120.400 -0.390 0.000 2.507 345 K HA 0.534 4.854 4.320 -0.000 0.000 0.252 345 K C -1.417 174.887 176.600 -0.493 0.000 0.943 345 K CA -0.573 55.380 56.287 -0.557 0.000 0.808 345 K CB 1.746 33.556 32.500 -1.149 0.000 1.142 345 K HN 0.664 nan 8.250 nan 0.000 0.426 346 I N 4.427 124.766 120.570 -0.385 0.000 2.437 346 I HA 0.175 4.345 4.170 -0.000 0.000 0.298 346 I C 0.845 176.755 176.117 -0.344 0.000 0.984 346 I CA -0.651 60.438 61.300 -0.352 0.000 1.214 346 I CB 1.871 39.719 38.000 -0.254 0.000 1.365 346 I HN 0.446 nan 8.210 nan 0.000 0.469 347 V N 2.929 122.611 119.914 -0.387 0.000 2.607 347 V HA 0.103 4.223 4.120 -0.000 0.000 0.228 347 V C 0.043 176.007 176.094 -0.218 0.000 1.106 347 V CA 0.178 62.284 62.300 -0.322 0.000 1.141 347 V CB 0.118 31.691 31.823 -0.417 0.000 0.808 347 V HN 0.978 nan 8.190 nan 0.000 0.501 348 C N 0.733 119.882 119.300 -0.251 0.000 0.798 348 C HA 0.319 4.779 4.460 -0.000 0.000 0.126 348 C C -0.041 174.802 174.990 -0.246 0.000 0.299 348 C CA -0.773 58.093 59.018 -0.253 0.000 1.638 348 C CB -2.237 25.399 27.740 -0.172 0.000 2.934 348 C HN 1.228 nan 8.230 nan 0.000 0.981 349 A N 3.824 126.430 122.820 -0.358 0.000 2.512 349 A HA 0.659 4.979 4.320 -0.000 0.000 0.294 349 A C -1.007 176.578 177.584 0.002 0.000 1.054 349 A CA -0.538 51.417 52.037 -0.136 0.000 0.756 349 A CB 0.651 19.650 19.000 -0.002 0.000 1.293 349 A HN 1.016 nan 8.150 nan 0.000 0.395 350 Y N 2.436 122.808 120.300 0.119 0.000 2.511 350 Y HA 0.202 4.752 4.550 -0.000 0.000 0.332 350 Y C -1.385 174.660 175.900 0.240 0.000 1.177 350 Y CA -0.546 57.648 58.100 0.157 0.000 1.422 350 Y CB 0.875 39.402 38.460 0.112 0.000 1.271 350 Y HN 0.552 nan 8.280 nan 0.000 0.550 351 P HA -0.107 nan 4.420 nan 0.000 0.223 351 P C 0.509 177.985 177.300 0.292 0.000 1.151 351 P CA 1.198 64.399 63.100 0.168 0.000 0.787 351 P CB 0.344 32.053 31.700 0.016 0.000 0.788 352 E N -0.902 119.441 120.200 0.238 0.000 2.511 352 E HA -0.038 4.312 4.350 -0.000 0.000 0.196 352 E C 1.224 177.907 176.600 0.137 0.000 1.066 352 E CA 0.504 56.987 56.400 0.137 0.000 0.871 352 E CB -0.725 28.997 29.700 0.036 0.000 0.863 352 E HN 0.246 nan 8.360 nan 0.000 0.520 353 S N -0.736 115.107 115.700 0.239 0.000 2.743 353 S HA 0.615 5.085 4.470 -0.000 0.000 0.230 353 S C 0.478 175.123 174.600 0.076 0.000 0.950 353 S CA -0.002 58.297 58.200 0.165 0.000 0.976 353 S CB 0.018 63.360 63.200 0.235 0.000 0.779 353 S HN 0.158 nan 8.310 nan 0.000 0.487 354 A N -0.580 122.270 122.820 0.050 0.000 2.479 354 A HA 0.634 4.953 4.320 -0.000 0.000 0.297 354 A C -0.013 177.523 177.584 -0.080 0.000 0.967 354 A CA -0.545 51.399 52.037 -0.156 0.000 0.606 354 A CB -0.438 18.234 19.000 -0.546 0.000 1.382 354 A HN 0.802 nan 8.150 nan 0.000 0.457 355 G N -1.214 107.525 108.800 -0.101 0.000 2.532 355 G HA2 0.534 4.494 3.960 -0.000 0.000 0.291 355 G HA3 0.534 4.494 3.960 -0.000 0.000 0.291 355 G C 0.468 175.381 174.900 0.022 0.000 1.349 355 G CA -0.229 44.866 45.100 -0.008 0.000 1.038 355 G HN 0.789 nan 8.290 nan 0.000 0.518 356 L N 0.018 121.247 121.223 0.010 0.000 2.109 356 L HA 0.036 4.376 4.340 -0.000 0.000 0.207 356 L C 2.942 179.845 176.870 0.054 0.000 1.086 356 L CA 2.032 56.833 54.840 -0.066 0.000 0.760 356 L CB -0.821 41.169 42.059 -0.114 0.000 0.910 356 L HN 0.880 nan 8.230 nan 0.000 0.437 357 E N -0.842 119.407 120.200 0.081 0.000 2.097 357 E HA -0.254 4.096 4.350 -0.000 0.000 0.196 357 E C 1.377 178.064 176.600 0.146 0.000 1.000 357 E CA 1.666 58.153 56.400 0.146 0.000 0.804 357 E CB -0.487 29.326 29.700 0.188 0.000 0.740 357 E HN 0.463 nan 8.360 nan 0.000 0.454 358 D N 0.696 121.135 120.400 0.064 0.000 2.078 358 D HA -0.161 4.479 4.640 -0.000 0.000 0.193 358 D C 2.075 178.396 176.300 0.035 0.000 0.990 358 D CA 1.330 55.342 54.000 0.021 0.000 0.827 358 D CB -0.509 40.217 40.800 -0.123 0.000 0.975 358 D HN 0.341 nan 8.370 nan 0.000 0.451 359 H N 0.861 119.987 119.070 0.094 0.000 2.353 359 H HA -0.088 4.468 4.556 -0.000 0.000 0.298 359 H C 2.378 177.815 175.328 0.182 0.000 1.103 359 H CA 0.436 56.568 56.048 0.139 0.000 1.293 359 H CB -0.462 29.324 29.762 0.040 0.000 1.372 359 H HN 0.138 nan 8.280 nan 0.000 0.501 360 L N 0.705 122.120 121.223 0.321 0.000 2.042 360 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 360 L C 2.503 179.313 176.870 -0.101 0.000 1.076 360 L CA 1.653 56.565 54.840 0.121 0.000 0.749 360 L CB -0.353 41.633 42.059 -0.122 0.000 0.893 360 L HN 0.343 nan 8.230 nan 0.000 0.432 361 Q N -0.531 119.256 119.800 -0.021 0.000 2.083 361 Q HA -0.184 4.156 4.340 -0.000 0.000 0.198 361 Q C 2.244 178.336 176.000 0.153 0.000 0.969 361 Q CA 1.031 56.912 55.803 0.129 0.000 0.838 361 Q CB 0.184 29.170 28.738 0.413 0.000 0.900 361 Q HN 0.439 nan 8.270 nan 0.000 0.436 362 I N 1.217 121.894 120.570 0.178 0.000 2.194 362 I HA -0.326 3.844 4.170 -0.000 0.000 0.246 362 I C 2.312 178.588 176.117 0.265 0.000 1.093 362 I CA 1.423 62.852 61.300 0.215 0.000 1.355 362 I CB -1.129 37.017 38.000 0.244 0.000 1.046 362 I HN 0.334 nan 8.210 nan 0.000 0.413 363 I N 0.509 121.206 120.570 0.211 0.000 2.113 363 I HA -0.319 3.850 4.170 -0.000 0.000 0.238 363 I C 2.641 178.851 176.117 0.156 0.000 1.070 363 I CA 1.410 62.781 61.300 0.118 0.000 1.332 363 I CB -0.461 37.359 38.000 -0.300 0.000 1.044 363 I HN 0.208 nan 8.210 nan 0.000 0.402 364 K N 0.441 120.837 120.400 -0.007 0.000 2.000 364 K HA -0.262 4.058 4.320 -0.000 0.000 0.218 364 K C 2.339 179.005 176.600 0.110 0.000 1.053 364 K CA 2.233 58.458 56.287 -0.104 0.000 0.946 364 K CB -0.452 31.859 32.500 -0.316 0.000 0.723 364 K HN 0.172 nan 8.250 nan 0.000 0.446 365 S N 0.989 116.773 115.700 0.141 0.000 2.389 365 S HA -0.283 4.187 4.470 -0.000 0.000 0.229 365 S C 1.919 176.650 174.600 0.218 0.000 1.048 365 S CA 2.191 60.503 58.200 0.186 0.000 1.117 365 S CB -0.365 62.947 63.200 0.187 0.000 1.020 365 S HN 0.317 nan 8.310 nan 0.000 0.430 366 E N 0.379 120.724 120.200 0.241 0.000 2.273 366 E HA -0.086 4.264 4.350 -0.000 0.000 0.198 366 E C 1.725 178.495 176.600 0.285 0.000 1.002 366 E CA 1.260 57.800 56.400 0.232 0.000 0.828 366 E CB -0.277 29.565 29.700 0.236 0.000 0.747 366 E HN 0.713 nan 8.360 nan 0.000 0.491 367 I N 0.350 121.127 120.570 0.346 0.000 2.761 367 I HA -0.157 4.013 4.170 -0.000 0.000 0.261 367 I C 1.588 177.903 176.117 0.331 0.000 1.198 367 I CA 0.333 61.861 61.300 0.380 0.000 1.482 367 I CB -0.168 38.118 38.000 0.476 0.000 1.100 367 I HN 0.122 nan 8.210 nan 0.000 0.445 368 N N 0.807 119.681 118.700 0.290 0.000 2.258 368 N HA -0.085 4.655 4.740 -0.000 0.000 0.183 368 N C 1.035 176.670 175.510 0.208 0.000 1.029 368 N CA 1.014 54.208 53.050 0.239 0.000 0.857 368 N CB -0.243 38.374 38.487 0.217 0.000 1.008 368 N HN 0.251 nan 8.380 nan 0.000 0.433 369 D N -0.346 120.185 120.400 0.217 0.000 2.390 369 D HA -0.076 4.564 4.640 -0.000 0.000 0.235 369 D C 0.546 177.016 176.300 0.282 0.000 1.040 369 D CA 0.449 54.573 54.000 0.207 0.000 0.923 369 D CB -0.099 40.816 40.800 0.191 0.000 0.886 369 D HN 0.240 nan 8.370 nan 0.000 0.532 370 F N 0.331 120.327 119.950 0.078 0.000 2.964 370 F HA 0.043 4.570 4.527 -0.000 0.000 0.371 370 F C -0.211 175.619 175.800 0.051 0.000 1.026 370 F CA -0.335 57.696 58.000 0.052 0.000 1.106 370 F CB 0.538 39.561 39.000 0.039 0.000 1.135 370 F HN -0.222 nan 8.300 nan 0.000 0.557 371 K N 0.250 120.742 120.400 0.154 0.000 3.156 371 K HA -0.207 4.113 4.320 -0.000 0.000 0.266 371 K C -2.715 173.938 176.600 0.088 0.000 0.966 371 K CA 0.637 56.974 56.287 0.084 0.000 0.719 371 K CB -3.133 29.366 32.500 -0.002 0.000 1.333 371 K HN 0.180 nan 8.250 nan 0.000 0.468 372 P HA 0.038 nan 4.420 nan 0.000 0.271 372 P C 0.603 177.964 177.300 0.101 0.000 1.233 372 P CA 0.542 63.761 63.100 0.199 0.000 0.795 372 P CB 0.740 32.595 31.700 0.259 0.000 0.936 373 A N 0.981 123.842 122.820 0.070 0.000 2.211 373 A HA 0.201 4.521 4.320 -0.000 0.000 0.208 373 A C 0.642 178.255 177.584 0.049 0.000 1.250 373 A CA 0.479 52.540 52.037 0.040 0.000 0.935 373 A CB 0.239 19.243 19.000 0.008 0.000 0.982 373 A HN 0.408 nan 8.150 nan 0.000 0.490 374 R N -0.643 119.884 120.500 0.044 0.000 2.575 374 R HA 0.704 5.044 4.340 -0.000 0.000 0.293 374 R C -1.929 174.443 176.300 0.120 0.000 0.983 374 R CA -0.336 55.791 56.100 0.044 0.000 0.887 374 R CB 2.146 32.325 30.300 -0.203 0.000 1.184 374 R HN 0.300 nan 8.270 nan 0.000 0.445 375 I N 1.115 121.810 120.570 0.209 0.000 2.647 375 I HA 0.622 4.792 4.170 -0.000 0.000 0.295 375 I C -1.334 174.895 176.117 0.187 0.000 1.078 375 I CA -0.467 60.964 61.300 0.218 0.000 1.048 375 I CB 2.087 40.226 38.000 0.231 0.000 1.239 375 I HN 0.782 nan 8.210 nan 0.000 0.421 376 A N 8.171 131.115 122.820 0.207 0.000 2.499 376 A HA 0.607 4.927 4.320 -0.000 0.000 0.280 376 A C -1.003 176.705 177.584 0.207 0.000 1.135 376 A CA -0.356 51.750 52.037 0.115 0.000 0.744 376 A CB 0.510 19.652 19.000 0.235 0.000 1.213 376 A HN 0.578 nan 8.150 nan 0.000 0.434 377 I N 2.560 123.211 120.570 0.136 0.000 2.281 377 I HA 0.132 4.302 4.170 -0.000 0.000 0.293 377 I C -0.387 175.923 176.117 0.321 0.000 1.085 377 I CA -0.422 61.094 61.300 0.360 0.000 1.257 377 I CB 0.867 39.132 38.000 0.441 0.000 1.430 377 I HN 0.525 nan 8.210 nan 0.000 0.489 378 D N 5.531 126.128 120.400 0.330 0.000 2.344 378 D HA 0.066 4.706 4.640 -0.000 0.000 0.253 378 D C 0.135 176.603 176.300 0.280 0.000 1.255 378 D CA 0.770 54.927 54.000 0.261 0.000 0.894 378 D CB 0.622 41.554 40.800 0.219 0.000 1.067 378 D HN 0.559 nan 8.370 nan 0.000 0.492 379 S N 2.605 118.432 115.700 0.212 0.000 3.880 379 S HA -0.143 4.327 4.470 -0.000 0.000 0.658 379 S C 1.209 175.883 174.600 0.124 0.000 0.597 379 S CA -0.281 58.014 58.200 0.159 0.000 1.420 379 S CB -1.232 62.057 63.200 0.148 0.000 0.821 379 S HN 0.565 nan 8.310 nan 0.000 0.914 380 L N 2.375 123.698 121.223 0.166 0.000 2.141 380 L HA -0.072 4.268 4.340 -0.000 0.000 0.209 380 L C 2.432 179.423 176.870 0.201 0.000 1.094 380 L CA 1.648 56.624 54.840 0.227 0.000 0.763 380 L CB -0.427 41.814 42.059 0.304 0.000 0.908 380 L HN 0.832 nan 8.230 nan 0.000 0.437 381 S N -0.424 115.317 115.700 0.069 0.000 2.595 381 S HA -0.028 4.442 4.470 -0.000 0.000 0.235 381 S C 1.787 176.331 174.600 -0.094 0.000 0.974 381 S CA 0.641 58.783 58.200 -0.097 0.000 0.942 381 S CB -0.157 63.005 63.200 -0.064 0.000 0.766 381 S HN 0.368 nan 8.310 nan 0.000 0.536 382 A N 2.052 124.853 122.820 -0.033 0.000 1.887 382 A HA 0.386 4.706 4.320 -0.000 0.000 0.212 382 A C 2.079 179.608 177.584 -0.092 0.000 1.198 382 A CA 0.451 52.473 52.037 -0.024 0.000 0.628 382 A CB -0.576 18.453 19.000 0.047 0.000 0.847 382 A HN 0.495 nan 8.150 nan 0.000 0.449 383 L N -0.342 120.795 121.223 -0.144 0.000 2.265 383 L HA -0.119 4.221 4.340 -0.000 0.000 0.215 383 L C 2.679 179.508 176.870 -0.069 0.000 1.117 383 L CA 0.825 55.548 54.840 -0.194 0.000 0.782 383 L CB -0.502 41.379 42.059 -0.296 0.000 0.914 383 L HN 0.427 nan 8.230 nan 0.000 0.441 384 A N -0.120 122.550 122.820 -0.251 0.000 2.206 384 A HA -0.024 4.296 4.320 -0.000 0.000 0.211 384 A C 1.075 178.480 177.584 -0.297 0.000 1.158 384 A CA -0.041 51.623 52.037 -0.621 0.000 0.761 384 A CB -0.338 17.932 19.000 -1.216 0.000 0.801 384 A HN 0.276 nan 8.150 nan 0.000 0.473 385 R N -0.395 120.002 120.500 -0.171 0.000 2.488 385 R HA 0.193 4.532 4.340 -0.000 0.000 0.317 385 R C 1.484 177.742 176.300 -0.070 0.000 0.941 385 R CA 0.641 56.683 56.100 -0.097 0.000 1.076 385 R CB -0.253 30.023 30.300 -0.040 0.000 0.917 385 R HN 0.615 nan 8.270 nan 0.000 0.407 386 G N 1.992 110.753 108.800 -0.066 0.000 2.451 386 G HA2 -0.354 3.606 3.960 -0.000 0.000 0.253 386 G HA3 -0.354 3.606 3.960 -0.000 0.000 0.253 386 G C 0.533 175.416 174.900 -0.029 0.000 1.033 386 G CA 0.451 45.528 45.100 -0.039 0.000 0.633 386 G HN 0.469 nan 8.290 nan 0.000 0.537 387 V N 2.196 122.092 119.914 -0.030 0.000 3.139 387 V HA 0.418 4.538 4.120 -0.000 0.000 0.307 387 V C 1.381 177.480 176.094 0.009 0.000 1.095 387 V CA 0.367 62.671 62.300 0.006 0.000 1.160 387 V CB 1.419 33.268 31.823 0.043 0.000 1.003 387 V HN 1.078 nan 8.190 nan 0.000 0.489 388 S N 2.986 118.709 115.700 0.039 0.000 2.548 388 S HA 0.102 4.572 4.470 -0.000 0.000 0.277 388 S C 1.045 175.692 174.600 0.079 0.000 1.315 388 S CA -0.383 57.842 58.200 0.042 0.000 1.050 388 S CB 0.626 63.854 63.200 0.046 0.000 0.918 388 S HN 0.741 nan 8.310 nan 0.000 0.497 389 N N 3.026 121.764 118.700 0.064 0.000 2.060 389 N HA -0.201 4.539 4.740 -0.000 0.000 0.195 389 N C 1.033 176.638 175.510 0.158 0.000 1.028 389 N CA 1.687 54.804 53.050 0.111 0.000 0.861 389 N CB -0.602 37.928 38.487 0.071 0.000 1.029 389 N HN 0.701 nan 8.380 nan 0.000 0.428 390 N N 0.680 119.443 118.700 0.106 0.000 2.364 390 N HA -0.096 4.644 4.740 -0.000 0.000 0.183 390 N C 1.420 176.989 175.510 0.098 0.000 1.022 390 N CA 0.974 54.078 53.050 0.091 0.000 0.883 390 N CB -0.284 38.241 38.487 0.063 0.000 0.965 390 N HN 0.339 nan 8.380 nan 0.000 0.438 391 A N -0.286 122.603 122.820 0.115 0.000 1.984 391 A HA 0.063 4.383 4.320 -0.000 0.000 0.214 391 A C 1.943 179.616 177.584 0.148 0.000 1.173 391 A CA 0.151 52.256 52.037 0.114 0.000 0.673 391 A CB -0.473 18.586 19.000 0.098 0.000 0.830 391 A HN 0.225 nan 8.150 nan 0.000 0.453 392 F N 0.455 120.424 119.950 0.033 0.000 2.118 392 F HA 0.029 4.556 4.527 -0.000 0.000 0.293 392 F C 2.281 178.132 175.800 0.085 0.000 1.102 392 F CA 1.514 59.540 58.000 0.043 0.000 1.247 392 F CB -0.265 38.730 39.000 -0.010 0.000 1.017 392 F HN 0.073 nan 8.300 nan 0.000 0.475 393 R N 0.089 120.657 120.500 0.113 0.000 2.117 393 R HA -0.253 4.087 4.340 -0.000 0.000 0.243 393 R C 2.393 178.634 176.300 -0.098 0.000 1.143 393 R CA 1.986 58.081 56.100 -0.008 0.000 0.968 393 R CB -0.510 29.840 30.300 0.083 0.000 0.863 393 R HN 0.465 nan 8.270 nan 0.000 0.444 394 Q N -0.772 119.013 119.800 -0.024 0.000 2.297 394 Q HA -0.159 4.181 4.340 -0.000 0.000 0.204 394 Q C 1.555 177.523 176.000 -0.053 0.000 0.962 394 Q CA 0.976 56.770 55.803 -0.015 0.000 0.879 394 Q CB 0.092 28.860 28.738 0.050 0.000 0.947 394 Q HN 0.300 nan 8.270 nan 0.000 0.462 395 F N -0.535 119.258 119.950 -0.262 0.000 2.147 395 F HA -0.091 4.436 4.527 -0.000 0.000 0.291 395 F C 1.808 177.361 175.800 -0.412 0.000 1.093 395 F CA 0.779 58.586 58.000 -0.321 0.000 1.263 395 F CB -0.472 38.304 39.000 -0.372 0.000 1.036 395 F HN -0.184 nan 8.300 nan 0.000 0.481 396 V N 1.712 121.273 119.914 -0.588 0.000 2.231 396 V HA -0.382 3.738 4.120 -0.000 0.000 0.250 396 V C 2.563 178.327 176.094 -0.550 0.000 1.058 396 V CA 2.139 64.024 62.300 -0.692 0.000 1.022 396 V CB -0.884 30.590 31.823 -0.583 0.000 0.640 396 V HN 0.376 nan 8.190 nan 0.000 0.445 397 I N 0.688 121.047 120.570 -0.351 0.000 2.229 397 I HA -0.268 3.902 4.170 -0.000 0.000 0.250 397 I C 2.410 178.379 176.117 -0.247 0.000 1.096 397 I CA 2.167 63.326 61.300 -0.235 0.000 1.358 397 I CB -2.076 35.845 38.000 -0.132 0.000 1.047 397 I HN 0.444 nan 8.210 nan 0.000 0.422 398 G N 0.988 109.592 108.800 -0.327 0.000 2.705 398 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.214 398 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.214 398 G C 1.757 176.458 174.900 -0.331 0.000 1.321 398 G CA 1.347 46.257 45.100 -0.317 0.000 0.826 398 G HN 0.217 nan 8.290 nan 0.000 0.595 399 V N 0.971 120.547 119.914 -0.562 0.000 2.252 399 V HA -0.297 3.823 4.120 -0.000 0.000 0.255 399 V C 3.146 179.143 176.094 -0.161 0.000 1.071 399 V CA 2.733 64.799 62.300 -0.390 0.000 1.050 399 V CB -1.278 30.184 31.823 -0.601 0.000 0.654 399 V HN 0.497 nan 8.190 nan 0.000 0.448 400 T N 0.052 114.420 114.554 -0.311 0.000 2.580 400 T HA -0.185 4.165 4.350 -0.000 0.000 0.265 400 T C 1.880 176.558 174.700 -0.037 0.000 1.063 400 T CA 1.934 63.929 62.100 -0.175 0.000 1.170 400 T CB -0.985 67.709 68.868 -0.290 0.000 0.863 400 T HN 0.673 nan 8.240 nan 0.000 0.418 401 G N 0.193 108.954 108.800 -0.066 0.000 2.553 401 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.218 401 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.218 401 G C 1.338 176.270 174.900 0.054 0.000 1.195 401 G CA 1.346 46.442 45.100 -0.007 0.000 0.779 401 G HN 0.498 nan 8.290 nan 0.000 0.577 402 Y N 2.085 122.353 120.300 -0.053 0.000 2.030 402 Y HA -0.240 4.310 4.550 -0.000 0.000 0.272 402 Y C 3.076 178.989 175.900 0.022 0.000 1.185 402 Y CA 1.882 59.974 58.100 -0.014 0.000 1.120 402 Y CB -0.876 37.566 38.460 -0.031 0.000 0.955 402 Y HN 0.279 nan 8.280 nan 0.000 0.495 403 A N -0.205 122.646 122.820 0.052 0.000 1.948 403 A HA -0.264 4.056 4.320 -0.000 0.000 0.220 403 A C 2.322 179.895 177.584 -0.017 0.000 1.177 403 A CA 2.178 54.225 52.037 0.018 0.000 0.636 403 A CB -0.689 18.411 19.000 0.165 0.000 0.815 403 A HN 0.560 nan 8.150 nan 0.000 0.449 404 K N -0.538 119.863 120.400 0.001 0.000 2.001 404 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 404 K C 2.181 178.758 176.600 -0.039 0.000 1.048 404 K CA 1.594 57.877 56.287 -0.006 0.000 0.932 404 K CB -0.194 32.305 32.500 -0.001 0.000 0.715 404 K HN 0.841 nan 8.250 nan 0.000 0.437 405 Q N 0.077 119.841 119.800 -0.061 0.000 2.515 405 Q HA -0.070 4.269 4.340 -0.000 0.000 0.214 405 Q C 0.606 176.535 176.000 -0.119 0.000 0.971 405 Q CA 0.987 56.749 55.803 -0.069 0.000 0.952 405 Q CB 0.428 29.140 28.738 -0.043 0.000 0.999 405 Q HN 0.057 nan 8.270 nan 0.000 0.524 406 E N 0.738 120.842 120.200 -0.161 0.000 2.630 406 E HA 0.043 4.393 4.350 -0.000 0.000 0.218 406 E C -0.632 175.915 176.600 -0.090 0.000 0.977 406 E CA -0.018 56.270 56.400 -0.187 0.000 1.038 406 E CB 0.478 29.939 29.700 -0.399 0.000 1.051 406 E HN 0.293 nan 8.360 nan 0.000 0.487 407 E N -0.103 120.069 120.200 -0.047 0.000 2.586 407 E HA -0.236 4.114 4.350 -0.000 0.000 0.259 407 E C -0.477 176.135 176.600 0.019 0.000 1.107 407 E CA 0.739 57.137 56.400 -0.003 0.000 0.754 407 E CB -1.899 27.801 29.700 -0.000 0.000 1.335 407 E HN 0.405 nan 8.360 nan 0.000 0.411 408 I N 1.568 122.149 120.570 0.017 0.000 2.354 408 I HA 0.096 4.266 4.170 -0.000 0.000 0.286 408 I C 0.853 177.030 176.117 0.100 0.000 1.007 408 I CA -0.457 60.876 61.300 0.056 0.000 1.167 408 I CB 1.366 39.396 38.000 0.050 0.000 1.320 408 I HN -0.210 nan 8.210 nan 0.000 0.458 409 T N 4.560 119.201 114.554 0.145 0.000 2.937 409 T HA 0.256 4.606 4.350 -0.000 0.000 0.316 409 T C 0.458 175.277 174.700 0.198 0.000 1.079 409 T CA -0.195 62.032 62.100 0.213 0.000 1.131 409 T CB 0.771 69.849 68.868 0.351 0.000 1.000 409 T HN 0.807 nan 8.240 nan 0.000 0.549 410 G N 0.980 109.824 108.800 0.074 0.000 2.542 410 G HA2 0.597 4.557 3.960 -0.000 0.000 0.311 410 G HA3 0.597 4.557 3.960 -0.000 0.000 0.311 410 G C -1.693 172.916 174.900 -0.486 0.000 1.298 410 G CA -0.619 44.351 45.100 -0.217 0.000 0.973 410 G HN 0.651 nan 8.290 nan 0.000 0.487 411 L N 1.970 122.773 121.223 -0.701 0.000 2.388 411 L HA 0.704 5.043 4.340 -0.000 0.000 0.267 411 L C -1.457 175.043 176.870 -0.616 0.000 0.995 411 L CA -0.816 53.617 54.840 -0.679 0.000 0.864 411 L CB 0.463 42.028 42.059 -0.824 0.000 1.216 411 L HN 0.381 nan 8.230 nan 0.000 0.430 412 F N 1.906 121.813 119.950 -0.071 0.000 2.432 412 F HA 0.711 5.238 4.527 -0.000 0.000 0.329 412 F C 0.792 176.586 175.800 -0.009 0.000 1.076 412 F CA -0.534 57.461 58.000 -0.009 0.000 1.018 412 F CB 2.057 41.048 39.000 -0.015 0.000 1.201 412 F HN 0.267 nan 8.300 nan 0.000 0.489 413 T N 1.393 116.078 114.554 0.218 0.000 2.856 413 T HA 0.397 4.747 4.350 -0.000 0.000 0.283 413 T C -1.324 173.457 174.700 0.134 0.000 1.008 413 T CA -0.849 61.332 62.100 0.135 0.000 0.997 413 T CB 1.462 70.406 68.868 0.126 0.000 0.992 413 T HN 0.535 nan 8.240 nan 0.000 0.454 414 N N 0.838 119.591 118.700 0.087 0.000 2.397 414 N HA 0.406 5.146 4.740 -0.000 0.000 0.291 414 N C -1.492 174.042 175.510 0.041 0.000 1.065 414 N CA -0.415 52.673 53.050 0.064 0.000 0.884 414 N CB 1.615 40.133 38.487 0.052 0.000 1.551 414 N HN 0.395 nan 8.380 nan 0.000 0.487 415 T N 1.487 116.062 114.554 0.034 0.000 2.758 415 T HA 0.354 4.704 4.350 -0.000 0.000 0.285 415 T C -0.175 174.535 174.700 0.018 0.000 0.981 415 T CA -0.600 61.523 62.100 0.038 0.000 0.965 415 T CB 0.505 69.406 68.868 0.055 0.000 0.927 415 T HN 0.572 nan 8.240 nan 0.000 0.448 416 S N 2.692 118.407 115.700 0.026 0.000 2.528 416 S HA 0.121 4.591 4.470 -0.000 0.000 0.277 416 S C 0.856 175.477 174.600 0.035 0.000 1.297 416 S CA -0.630 57.577 58.200 0.012 0.000 1.052 416 S CB 0.693 63.898 63.200 0.009 0.000 0.917 416 S HN 0.556 nan 8.310 nan 0.000 0.492 417 D N 1.902 122.307 120.400 0.008 0.000 2.311 417 D HA -0.096 4.544 4.640 -0.000 0.000 0.212 417 D C 0.818 177.151 176.300 0.054 0.000 0.972 417 D CA 1.255 55.268 54.000 0.021 0.000 0.887 417 D CB 0.089 40.883 40.800 -0.009 0.000 0.915 417 D HN 0.928 nan 8.370 nan 0.000 0.497 418 Q N 0.289 120.112 119.800 0.037 0.000 2.292 418 Q HA 0.304 4.644 4.340 -0.000 0.000 0.270 418 Q C -0.659 175.350 176.000 0.016 0.000 1.024 418 Q CA -1.029 54.781 55.803 0.011 0.000 0.768 418 Q CB 0.937 29.618 28.738 -0.095 0.000 1.250 418 Q HN 0.006 nan 8.270 nan 0.000 0.447 419 F N 1.713 121.668 119.950 0.009 0.000 2.484 419 F HA 0.509 5.036 4.527 -0.000 0.000 0.360 419 F C -0.008 175.802 175.800 0.017 0.000 1.101 419 F CA -0.965 57.066 58.000 0.050 0.000 1.251 419 F CB 0.454 39.471 39.000 0.028 0.000 1.132 419 F HN 0.697 nan 8.300 nan 0.000 0.570 420 M N 3.786 123.386 119.600 0.001 0.000 4.046 420 M HA -0.069 4.411 4.480 -0.000 0.000 0.157 420 M C 0.686 176.820 176.300 -0.278 0.000 1.532 420 M CA 1.300 56.527 55.300 -0.123 0.000 1.097 420 M CB -1.406 31.136 32.600 -0.096 0.000 1.346 420 M HN 1.574 nan 8.290 nan 0.000 0.191 421 G N 0.855 109.509 108.800 -0.243 0.000 2.168 421 G HA2 0.089 4.049 3.960 -0.000 0.000 0.197 421 G HA3 0.089 4.049 3.960 -0.000 0.000 0.197 421 G C 0.063 174.729 174.900 -0.389 0.000 0.997 421 G CA -0.029 44.869 45.100 -0.336 0.000 0.658 421 G HN 1.782 nan 8.290 nan 0.000 0.513 422 A N 0.723 123.389 122.820 -0.258 0.000 2.444 422 A HA 0.556 4.876 4.320 -0.000 0.000 0.273 422 A C 0.869 178.343 177.584 -0.184 0.000 1.136 422 A CA 0.124 52.056 52.037 -0.175 0.000 0.799 422 A CB -0.079 18.861 19.000 -0.099 0.000 1.081 422 A HN 0.420 nan 8.150 nan 0.000 0.509 423 H N 1.538 120.583 119.070 -0.043 0.000 2.536 423 H HA 0.164 4.720 4.556 -0.000 0.000 0.276 423 H C -0.109 175.204 175.328 -0.025 0.000 1.019 423 H CA 0.916 56.946 56.048 -0.031 0.000 1.159 423 H CB 0.099 29.851 29.762 -0.018 0.000 1.373 423 H HN 0.703 nan 8.280 nan 0.000 0.584 424 S N -0.881 114.852 115.700 0.056 0.000 2.536 424 S HA 0.217 4.687 4.470 -0.000 0.000 0.271 424 S C 0.777 175.357 174.600 -0.032 0.000 1.134 424 S CA -0.726 57.495 58.200 0.036 0.000 0.897 424 S CB 1.529 64.787 63.200 0.096 0.000 1.094 424 S HN -0.143 nan 8.310 nan 0.000 0.473 425 I N 2.088 122.622 120.570 -0.060 0.000 2.163 425 I HA -0.075 4.095 4.170 -0.000 0.000 0.243 425 I C 1.036 177.122 176.117 -0.052 0.000 1.085 425 I CA 1.886 63.126 61.300 -0.100 0.000 1.347 425 I CB -0.272 37.670 38.000 -0.097 0.000 1.044 425 I HN 0.818 nan 8.210 nan 0.000 0.408 426 T N -0.570 113.971 114.554 -0.022 0.000 2.912 426 T HA 0.218 4.568 4.350 -0.000 0.000 0.299 426 T C 0.069 174.691 174.700 -0.131 0.000 1.052 426 T CA -0.642 61.427 62.100 -0.052 0.000 0.996 426 T CB 1.932 70.784 68.868 -0.025 0.000 1.070 426 T HN -0.022 nan 8.240 nan 0.000 0.465 427 D N 1.049 121.337 120.400 -0.187 0.000 2.355 427 D HA -0.013 4.627 4.640 -0.000 0.000 0.218 427 D C 1.665 177.635 176.300 -0.550 0.000 1.004 427 D CA 0.607 54.430 54.000 -0.296 0.000 0.880 427 D CB 0.220 40.911 40.800 -0.182 0.000 0.911 427 D HN 0.566 nan 8.370 nan 0.000 0.528 428 S N -0.354 115.091 115.700 -0.425 0.000 2.539 428 S HA -0.021 4.449 4.470 -0.000 0.000 0.221 428 S C 0.405 174.886 174.600 -0.198 0.000 0.987 428 S CA -0.417 57.592 58.200 -0.319 0.000 0.929 428 S CB -0.202 62.925 63.200 -0.122 0.000 0.832 428 S HN 0.157 nan 8.310 nan 0.000 0.492 429 H N 1.228 120.321 119.070 0.039 0.000 2.741 429 H HA -0.097 4.459 4.556 -0.000 0.000 0.305 429 H C 0.464 175.818 175.328 0.044 0.000 1.169 429 H CA 0.853 56.923 56.048 0.036 0.000 1.144 429 H CB -2.225 27.554 29.762 0.029 0.000 1.397 429 H HN 0.406 nan 8.280 nan 0.000 0.409 430 I N 0.235 120.871 120.570 0.110 0.000 3.111 430 I HA -0.097 4.073 4.170 -0.000 0.000 0.272 430 I C 1.707 177.853 176.117 0.048 0.000 1.268 430 I CA 0.511 61.854 61.300 0.072 0.000 1.467 430 I CB -0.526 37.510 38.000 0.060 0.000 1.087 430 I HN 0.076 nan 8.210 nan 0.000 0.467 431 D N 1.573 122.014 120.400 0.068 0.000 2.973 431 D HA -0.319 4.320 4.640 -0.000 0.000 0.203 431 D C 2.114 178.441 176.300 0.045 0.000 1.096 431 D CA 2.798 56.835 54.000 0.061 0.000 0.876 431 D CB -0.996 39.856 40.800 0.087 0.000 0.979 431 D HN 0.429 nan 8.370 nan 0.000 0.495 432 T N -2.141 112.438 114.554 0.042 0.000 3.098 432 T HA -0.020 4.330 4.350 -0.000 0.000 0.266 432 T C 1.825 176.527 174.700 0.003 0.000 1.145 432 T CA 0.344 62.459 62.100 0.025 0.000 1.092 432 T CB -0.293 68.589 68.868 0.024 0.000 0.908 432 T HN 0.073 nan 8.240 nan 0.000 0.526 433 I N 1.274 121.837 120.570 -0.012 0.000 2.480 433 I HA 0.126 4.296 4.170 -0.000 0.000 0.251 433 I C 1.701 177.793 176.117 -0.043 0.000 1.124 433 I CA 0.566 61.840 61.300 -0.043 0.000 1.444 433 I CB -0.319 37.630 38.000 -0.085 0.000 1.098 433 I HN 0.250 nan 8.210 nan 0.000 0.428 434 T N -0.218 114.319 114.554 -0.029 0.000 2.899 434 T HA 0.010 4.360 4.350 -0.000 0.000 0.295 434 T C 0.822 175.521 174.700 -0.003 0.000 1.033 434 T CA -0.183 61.911 62.100 -0.010 0.000 1.084 434 T CB 0.556 69.427 68.868 0.005 0.000 0.979 434 T HN 0.174 nan 8.240 nan 0.000 0.532 435 D N 1.638 122.036 120.400 -0.003 0.000 2.324 435 D HA 0.129 4.768 4.640 -0.000 0.000 0.212 435 D C 0.290 176.580 176.300 -0.017 0.000 0.984 435 D CA 0.669 54.666 54.000 -0.006 0.000 0.885 435 D CB 0.563 41.363 40.800 -0.000 0.000 0.996 435 D HN 0.467 nan 8.370 nan 0.000 0.505 436 T N 0.666 115.183 114.554 -0.061 0.000 2.900 436 T HA 0.607 4.957 4.350 -0.000 0.000 0.295 436 T C -0.359 174.263 174.700 -0.130 0.000 1.044 436 T CA -0.474 61.552 62.100 -0.124 0.000 0.995 436 T CB 2.341 71.063 68.868 -0.243 0.000 1.072 436 T HN -0.159 nan 8.240 nan 0.000 0.473 437 I N 3.105 123.606 120.570 -0.115 0.000 2.499 437 I HA 0.463 4.632 4.170 -0.000 0.000 0.288 437 I C -1.003 175.067 176.117 -0.079 0.000 1.048 437 I CA -0.877 60.386 61.300 -0.062 0.000 1.062 437 I CB 1.886 39.917 38.000 0.052 0.000 1.238 437 I HN 0.341 nan 8.210 nan 0.000 0.426 438 I N 6.695 127.210 120.570 -0.091 0.000 2.382 438 I HA 0.343 4.513 4.170 -0.000 0.000 0.286 438 I C -0.516 175.567 176.117 -0.057 0.000 1.002 438 I CA -0.584 60.671 61.300 -0.075 0.000 1.135 438 I CB 1.656 39.607 38.000 -0.082 0.000 1.288 438 I HN 0.375 nan 8.210 nan 0.000 0.448 439 L N 8.281 129.481 121.223 -0.038 0.000 2.325 439 L HA 0.644 4.984 4.340 -0.000 0.000 0.279 439 L C -1.253 175.605 176.870 -0.021 0.000 1.054 439 L CA -0.012 54.798 54.840 -0.049 0.000 0.804 439 L CB 1.271 43.281 42.059 -0.083 0.000 1.200 439 L HN 0.401 nan 8.230 nan 0.000 0.436 440 L N 5.136 126.347 121.223 -0.020 0.000 2.408 440 L HA 0.649 4.988 4.340 -0.000 0.000 0.268 440 L C -0.942 175.910 176.870 -0.031 0.000 0.986 440 L CA -0.600 54.255 54.840 0.025 0.000 0.820 440 L CB 2.022 44.099 42.059 0.030 0.000 1.303 440 L HN 0.860 nan 8.230 nan 0.000 0.411 441 Q N 1.191 120.960 119.800 -0.052 0.000 2.575 441 Q HA 0.489 4.829 4.340 -0.000 0.000 0.290 441 Q C -1.893 173.986 176.000 -0.201 0.000 0.963 441 Q CA -1.030 54.700 55.803 -0.122 0.000 0.783 441 Q CB 1.749 30.464 28.738 -0.038 0.000 1.467 441 Q HN 0.353 nan 8.270 nan 0.000 0.402 442 Y N -0.030 120.279 120.300 0.015 0.000 2.301 442 Y HA 0.567 5.117 4.550 -0.000 0.000 0.325 442 Y C -0.239 175.622 175.900 -0.065 0.000 1.203 442 Y CA -0.600 57.494 58.100 -0.010 0.000 1.255 442 Y CB 1.822 40.310 38.460 0.047 0.000 1.232 442 Y HN 0.368 nan 8.280 nan 0.000 0.501 443 V N 2.536 122.489 119.914 0.065 0.000 2.419 443 V HA 0.125 4.245 4.120 -0.000 0.000 0.287 443 V C -0.295 175.761 176.094 -0.062 0.000 1.017 443 V CA -1.206 61.028 62.300 -0.111 0.000 0.844 443 V CB 1.407 33.021 31.823 -0.349 0.000 1.011 443 V HN 0.766 nan 8.190 nan 0.000 0.429 444 E N 5.432 125.606 120.200 -0.044 0.000 1.774 444 E HA 0.103 4.453 4.350 -0.000 0.000 0.265 444 E C -0.670 175.912 176.600 -0.029 0.000 1.207 444 E CA -0.264 56.128 56.400 -0.013 0.000 1.054 444 E CB 0.192 29.895 29.700 0.006 0.000 1.074 444 E HN 0.459 nan 8.360 nan 0.000 0.433 445 I N 4.729 125.285 120.570 -0.022 0.000 2.307 445 I HA 0.178 4.348 4.170 -0.000 0.000 0.287 445 I C 0.278 176.435 176.117 0.068 0.000 1.054 445 I CA -0.361 60.943 61.300 0.007 0.000 1.218 445 I CB 0.428 38.437 38.000 0.015 0.000 1.398 445 I HN 0.614 nan 8.210 nan 0.000 0.475 446 R N 3.988 124.543 120.500 0.093 0.000 2.994 446 R HA -0.184 4.156 4.340 -0.000 0.000 0.267 446 R C 1.067 177.399 176.300 0.053 0.000 0.914 446 R CA 0.555 56.705 56.100 0.083 0.000 0.668 446 R CB -1.687 28.671 30.300 0.096 0.000 1.524 446 R HN 1.071 nan 8.270 nan 0.000 0.478 447 G N 0.047 108.873 108.800 0.042 0.000 2.244 447 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.274 447 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.274 447 G C -0.063 174.849 174.900 0.021 0.000 1.002 447 G CA 1.132 46.249 45.100 0.028 0.000 0.740 447 G HN 0.596 nan 8.290 nan 0.000 0.516 448 E N -0.602 119.614 120.200 0.026 0.000 2.292 448 E HA 0.417 4.767 4.350 -0.000 0.000 0.272 448 E C 0.115 176.731 176.600 0.027 0.000 0.881 448 E CA -1.014 55.400 56.400 0.023 0.000 0.754 448 E CB 1.001 30.718 29.700 0.029 0.000 1.201 448 E HN 0.124 nan 8.360 nan 0.000 0.425 449 M N 2.580 122.196 119.600 0.027 0.000 2.135 449 M HA 0.187 4.667 4.480 -0.000 0.000 0.345 449 M C -0.062 176.295 176.300 0.095 0.000 1.340 449 M CA -0.138 55.201 55.300 0.066 0.000 1.162 449 M CB -0.064 32.548 32.600 0.021 0.000 1.570 449 M HN 0.412 nan 8.290 nan 0.000 0.454 450 S N 3.682 119.431 115.700 0.082 0.000 2.532 450 S HA 0.792 5.262 4.470 -0.000 0.000 0.301 450 S C -0.387 174.181 174.600 -0.052 0.000 1.083 450 S CA -1.090 57.122 58.200 0.021 0.000 1.025 450 S CB 2.144 65.381 63.200 0.062 0.000 1.056 450 S HN 0.649 nan 8.310 nan 0.000 0.494 451 R N 0.961 121.289 120.500 -0.287 0.000 2.531 451 R HA 0.782 5.122 4.340 -0.000 0.000 0.273 451 R C -0.195 175.872 176.300 -0.388 0.000 1.070 451 R CA 0.135 55.886 56.100 -0.582 0.000 1.112 451 R CB 0.934 30.363 30.300 -1.451 0.000 1.049 451 R HN 0.943 nan 8.270 nan 0.000 0.508 452 A N 2.421 125.199 122.820 -0.069 0.000 2.455 452 A HA 0.592 4.912 4.320 -0.000 0.000 0.300 452 A C -1.244 176.596 177.584 0.427 0.000 1.040 452 A CA -0.688 51.500 52.037 0.251 0.000 0.697 452 A CB 1.042 20.147 19.000 0.174 0.000 1.265 452 A HN 0.733 nan 8.150 nan 0.000 0.407 453 I N 1.912 122.752 120.570 0.451 0.000 2.493 453 I HA 0.661 4.831 4.170 -0.000 0.000 0.298 453 I C -0.934 175.253 176.117 0.118 0.000 0.998 453 I CA -0.640 60.773 61.300 0.189 0.000 1.137 453 I CB 1.801 39.762 38.000 -0.065 0.000 1.310 453 I HN 0.751 nan 8.210 nan 0.000 0.445 454 N N 5.106 123.846 118.700 0.066 0.000 2.287 454 N HA 0.358 5.098 4.740 -0.000 0.000 0.289 454 N C -1.840 173.696 175.510 0.043 0.000 1.066 454 N CA -0.497 52.601 53.050 0.080 0.000 0.841 454 N CB 2.328 40.889 38.487 0.123 0.000 1.599 454 N HN 0.282 nan 8.380 nan 0.000 0.476 455 V N 5.175 125.095 119.914 0.012 0.000 2.284 455 V HA 0.222 4.342 4.120 -0.000 0.000 0.260 455 V C 0.749 176.738 176.094 -0.175 0.000 1.084 455 V CA -0.347 61.879 62.300 -0.123 0.000 0.894 455 V CB -0.496 31.211 31.823 -0.194 0.000 1.119 455 V HN 0.714 nan 8.190 nan 0.000 0.484 456 F N 4.446 124.259 119.950 -0.228 0.000 2.146 456 F HA 0.027 4.554 4.527 -0.000 0.000 0.298 456 F C 1.241 176.922 175.800 -0.198 0.000 1.096 456 F CA 1.227 59.139 58.000 -0.147 0.000 1.275 456 F CB 0.324 39.273 39.000 -0.085 0.000 1.008 456 F HN 0.495 nan 8.300 nan 0.000 0.480 457 K N -0.752 119.471 120.400 -0.295 0.000 2.572 457 K HA 0.448 4.768 4.320 -0.000 0.000 0.263 457 K C -1.567 174.881 176.600 -0.254 0.000 0.932 457 K CA -0.688 55.435 56.287 -0.274 0.000 0.838 457 K CB 1.455 33.896 32.500 -0.097 0.000 1.366 457 K HN 0.013 nan 8.250 nan 0.000 0.425 458 M N 3.167 122.716 119.600 -0.085 0.000 2.327 458 M HA 0.369 4.849 4.480 -0.000 0.000 0.298 458 M C 0.403 176.786 176.300 0.138 0.000 1.065 458 M CA -0.777 54.552 55.300 0.048 0.000 0.916 458 M CB 2.250 34.929 32.600 0.133 0.000 1.630 458 M HN 0.804 nan 8.290 nan 0.000 0.442 459 R N 1.217 121.790 120.500 0.122 0.000 2.062 459 R HA 0.007 4.347 4.340 -0.000 0.000 0.229 459 R C 1.733 178.101 176.300 0.113 0.000 1.128 459 R CA 1.882 58.032 56.100 0.082 0.000 0.960 459 R CB 0.003 30.312 30.300 0.015 0.000 0.855 459 R HN 0.917 nan 8.270 nan 0.000 0.432 460 G N -0.864 108.071 108.800 0.225 0.000 2.719 460 G HA2 -0.031 3.928 3.960 -0.000 0.000 0.211 460 G HA3 -0.031 3.928 3.960 -0.000 0.000 0.211 460 G C 0.560 175.746 174.900 0.477 0.000 1.140 460 G CA -0.114 45.132 45.100 0.244 0.000 0.790 460 G HN 0.219 nan 8.290 nan 0.000 0.529 461 S N -1.475 114.536 115.700 0.518 0.000 2.566 461 S HA 0.376 4.846 4.470 -0.000 0.000 0.277 461 S C 0.675 175.442 174.600 0.277 0.000 1.150 461 S CA -0.000 58.403 58.200 0.339 0.000 1.032 461 S CB 0.701 64.018 63.200 0.194 0.000 1.157 461 S HN 0.412 nan 8.310 nan 0.000 0.507 462 W N 0.962 122.308 121.300 0.075 0.000 2.777 462 W HA 0.232 4.892 4.660 -0.000 0.000 0.260 462 W C 0.137 176.561 176.519 -0.158 0.000 1.194 462 W CA 1.309 58.636 57.345 -0.031 0.000 1.447 462 W CB -0.735 28.710 29.460 -0.026 0.000 1.009 462 W HN 1.045 nan 8.180 nan 0.000 0.613 463 H N 1.334 119.932 119.070 -0.787 0.000 2.961 463 H HA -0.274 4.281 4.556 -0.000 0.000 0.252 463 H C -0.530 173.734 175.328 -1.774 0.000 0.673 463 H CA 0.416 55.758 56.048 -1.176 0.000 0.806 463 H CB -1.226 28.259 29.762 -0.462 0.000 1.345 463 H HN 0.332 nan 8.280 nan 0.000 0.273 464 D N 2.480 122.195 120.400 -1.142 0.000 2.472 464 D HA 0.055 4.695 4.640 -0.000 0.000 0.237 464 D C 0.201 176.388 176.300 -0.188 0.000 1.141 464 D CA -0.106 53.609 54.000 -0.475 0.000 0.875 464 D CB 0.684 41.481 40.800 -0.006 0.000 1.192 464 D HN 0.564 nan 8.370 nan 0.000 0.450 465 K N 2.374 122.701 120.400 -0.122 0.000 3.095 465 K HA 0.470 4.790 4.320 -0.000 0.000 0.220 465 K C -0.678 175.950 176.600 0.047 0.000 1.216 465 K CA -0.566 55.702 56.287 -0.031 0.000 1.167 465 K CB 0.506 32.963 32.500 -0.071 0.000 1.199 465 K HN 0.341 nan 8.250 nan 0.000 0.458 466 A N 1.068 123.931 122.820 0.071 0.000 2.350 466 A HA 0.646 4.966 4.320 -0.000 0.000 0.324 466 A C -0.157 177.500 177.584 0.122 0.000 1.118 466 A CA -0.782 51.316 52.037 0.101 0.000 0.783 466 A CB 0.643 19.705 19.000 0.104 0.000 1.236 466 A HN 0.406 nan 8.150 nan 0.000 0.457 467 I N 3.184 123.845 120.570 0.152 0.000 2.257 467 I HA 0.166 4.336 4.170 -0.000 0.000 0.290 467 I C 0.434 176.692 176.117 0.235 0.000 1.137 467 I CA -0.076 61.333 61.300 0.181 0.000 1.255 467 I CB -0.179 37.927 38.000 0.177 0.000 1.485 467 I HN 0.602 nan 8.210 nan 0.000 0.534 468 R N 3.553 124.165 120.500 0.187 0.000 2.594 468 R HA 0.206 4.546 4.340 -0.000 0.000 0.272 468 R C 0.253 176.688 176.300 0.225 0.000 1.074 468 R CA -0.448 55.749 56.100 0.161 0.000 1.105 468 R CB 0.851 31.222 30.300 0.117 0.000 1.008 468 R HN 0.502 nan 8.270 nan 0.000 0.472 469 E N 2.721 122.968 120.200 0.077 0.000 2.313 469 E HA 0.270 4.620 4.350 -0.000 0.000 0.272 469 E C -1.208 175.472 176.600 0.132 0.000 1.038 469 E CA -0.665 55.769 56.400 0.057 0.000 0.863 469 E CB 0.686 30.183 29.700 -0.339 0.000 1.060 469 E HN 0.441 nan 8.360 nan 0.000 0.402 470 F N 1.729 121.685 119.950 0.010 0.000 2.591 470 F HA 0.515 5.042 4.527 -0.000 0.000 0.309 470 F C -1.423 174.379 175.800 0.003 0.000 1.098 470 F CA -1.375 56.621 58.000 -0.007 0.000 0.937 470 F CB 1.098 40.091 39.000 -0.012 0.000 1.250 470 F HN 0.439 nan 8.300 nan 0.000 0.447 471 M N 3.606 123.232 119.600 0.044 0.000 2.508 471 M HA 0.721 5.201 4.480 -0.000 0.000 0.327 471 M C -1.686 174.690 176.300 0.128 0.000 1.160 471 M CA -0.611 54.673 55.300 -0.027 0.000 0.980 471 M CB 1.993 34.589 32.600 -0.006 0.000 1.693 471 M HN 0.572 nan 8.290 nan 0.000 0.452 472 I N 2.598 123.235 120.570 0.111 0.000 2.385 472 I HA 0.621 4.791 4.170 -0.000 0.000 0.294 472 I C 0.015 176.236 176.117 0.173 0.000 0.988 472 I CA -0.270 61.147 61.300 0.196 0.000 1.265 472 I CB 1.576 39.736 38.000 0.266 0.000 1.388 472 I HN 1.071 nan 8.210 nan 0.000 0.480 473 S N 2.662 118.473 115.700 0.186 0.000 2.806 473 S HA 0.376 4.846 4.470 -0.000 0.000 0.306 473 S C 0.268 174.997 174.600 0.216 0.000 1.167 473 S CA -0.838 57.457 58.200 0.158 0.000 0.847 473 S CB 1.684 64.942 63.200 0.097 0.000 1.216 473 S HN 0.569 nan 8.310 nan 0.000 0.532 474 D N 0.769 121.253 120.400 0.140 0.000 2.219 474 D HA -0.046 4.594 4.640 -0.000 0.000 0.205 474 D C 1.315 177.691 176.300 0.127 0.000 0.970 474 D CA 1.111 55.186 54.000 0.125 0.000 0.851 474 D CB -0.088 40.748 40.800 0.060 0.000 0.943 474 D HN 0.532 nan 8.370 nan 0.000 0.488 475 K N 0.188 120.643 120.400 0.091 0.000 2.305 475 K HA 0.192 4.512 4.320 -0.000 0.000 0.199 475 K C 1.355 177.986 176.600 0.051 0.000 1.047 475 K CA 0.573 56.890 56.287 0.050 0.000 0.976 475 K CB 0.688 33.204 32.500 0.026 0.000 0.765 475 K HN 0.169 nan 8.250 nan 0.000 0.474 476 G N 1.128 109.982 108.800 0.089 0.000 2.253 476 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.190 476 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.190 476 G C -2.949 171.939 174.900 -0.019 0.000 1.274 476 G CA -0.779 44.313 45.100 -0.013 0.000 1.275 476 G HN -0.034 nan 8.290 nan 0.000 0.518 477 P HA 0.477 nan 4.420 nan 0.000 0.292 477 P C -1.658 175.651 177.300 0.015 0.000 1.287 477 P CA 0.230 63.313 63.100 -0.029 0.000 0.800 477 P CB 1.984 33.587 31.700 -0.162 0.000 0.945 478 D N 3.154 123.613 120.400 0.097 0.000 2.593 478 D HA 0.365 5.005 4.640 -0.000 0.000 0.251 478 D C -0.573 175.799 176.300 0.120 0.000 1.140 478 D CA -0.530 53.516 54.000 0.076 0.000 0.855 478 D CB 0.830 41.672 40.800 0.069 0.000 1.267 478 D HN 0.214 nan 8.370 nan 0.000 0.532 479 I N 4.580 125.191 120.570 0.067 0.000 2.310 479 I HA 0.195 4.365 4.170 -0.000 0.000 0.287 479 I C 1.246 177.397 176.117 0.057 0.000 1.073 479 I CA -0.492 60.856 61.300 0.080 0.000 1.216 479 I CB 0.844 38.860 38.000 0.027 0.000 1.415 479 I HN 0.158 nan 8.210 nan 0.000 0.480 480 K N 3.814 124.248 120.400 0.056 0.000 3.073 480 K HA 0.221 4.541 4.320 -0.000 0.000 0.232 480 K C -0.135 176.465 176.600 -0.000 0.000 1.135 480 K CA -0.069 56.223 56.287 0.009 0.000 1.428 480 K CB 0.308 32.790 32.500 -0.031 0.000 1.921 480 K HN 0.450 nan 8.250 nan 0.000 0.546 481 D N -0.431 119.939 120.400 -0.050 0.000 2.585 481 D HA 0.187 4.826 4.640 -0.000 0.000 0.254 481 D C -0.782 175.454 176.300 -0.107 0.000 1.067 481 D CA -0.448 53.525 54.000 -0.045 0.000 1.090 481 D CB 1.461 42.237 40.800 -0.039 0.000 1.408 481 D HN 0.403 nan 8.370 nan 0.000 0.554 482 S N -0.704 114.981 115.700 -0.026 0.000 2.632 482 S HA 0.430 4.899 4.470 -0.000 0.000 0.271 482 S C -0.090 174.526 174.600 0.028 0.000 1.260 482 S CA -0.688 57.540 58.200 0.048 0.000 1.010 482 S CB 0.269 63.560 63.200 0.152 0.000 0.965 482 S HN 0.275 nan 8.310 nan 0.000 0.534 483 F N 1.149 121.151 119.950 0.087 0.000 2.626 483 F HA 0.427 4.954 4.527 -0.000 0.000 0.353 483 F C 1.806 177.769 175.800 0.272 0.000 1.230 483 F CA -0.969 57.140 58.000 0.183 0.000 1.298 483 F CB -0.555 38.436 39.000 -0.015 0.000 1.670 483 F HN 0.703 nan 8.300 nan 0.000 0.633 484 R N 2.157 122.850 120.500 0.321 0.000 2.103 484 R HA -0.190 4.150 4.340 -0.000 0.000 0.242 484 R C 1.249 177.677 176.300 0.213 0.000 1.142 484 R CA 1.792 58.026 56.100 0.223 0.000 0.960 484 R CB -0.139 30.243 30.300 0.137 0.000 0.858 484 R HN 0.513 nan 8.270 nan 0.000 0.439 485 N N 0.074 118.899 118.700 0.208 0.000 2.878 485 N HA -0.021 4.719 4.740 -0.000 0.000 0.282 485 N C -1.189 174.223 175.510 -0.162 0.000 1.284 485 N CA 0.392 53.455 53.050 0.023 0.000 1.053 485 N CB -0.120 38.330 38.487 -0.061 0.000 1.382 485 N HN 0.034 nan 8.380 nan 0.000 0.529 486 F N -0.020 119.992 119.950 0.103 0.000 2.581 486 F HA 0.366 4.893 4.527 -0.000 0.000 0.311 486 F C 0.148 175.973 175.800 0.041 0.000 1.113 486 F CA -0.854 57.190 58.000 0.073 0.000 0.935 486 F CB 2.192 41.241 39.000 0.081 0.000 1.232 486 F HN -0.071 nan 8.300 nan 0.000 0.445 487 E N 1.642 121.953 120.200 0.186 0.000 2.235 487 E HA 0.609 4.958 4.350 -0.000 0.000 0.265 487 E C -0.620 176.047 176.600 0.111 0.000 0.940 487 E CA -1.093 55.376 56.400 0.114 0.000 0.819 487 E CB 1.454 31.190 29.700 0.060 0.000 1.206 487 E HN 0.492 nan 8.360 nan 0.000 0.409 488 R N 1.311 121.854 120.500 0.072 0.000 3.267 488 R HA -0.190 4.150 4.340 -0.000 0.000 0.254 488 R C 0.704 177.015 176.300 0.017 0.000 0.993 488 R CA -0.161 55.966 56.100 0.045 0.000 0.670 488 R CB -1.296 29.030 30.300 0.043 0.000 1.125 488 R HN 0.584 nan 8.270 nan 0.000 0.434 489 I N 0.304 120.875 120.570 0.001 0.000 2.286 489 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 489 I C 2.337 178.392 176.117 -0.104 0.000 1.104 489 I CA 1.285 62.528 61.300 -0.095 0.000 1.397 489 I CB -0.419 37.524 38.000 -0.095 0.000 1.072 489 I HN 0.339 nan 8.210 nan 0.000 0.417 490 I N 1.004 121.545 120.570 -0.048 0.000 2.614 490 I HA -0.182 3.988 4.170 -0.000 0.000 0.258 490 I C 2.673 178.743 176.117 -0.078 0.000 1.189 490 I CA 1.180 62.448 61.300 -0.053 0.000 1.462 490 I CB -1.563 36.428 38.000 -0.015 0.000 1.092 490 I HN 0.263 nan 8.210 nan 0.000 0.442 491 S N 0.870 116.533 115.700 -0.062 0.000 2.465 491 S HA -0.067 4.403 4.470 -0.000 0.000 0.241 491 S C 1.883 176.429 174.600 -0.090 0.000 1.000 491 S CA 1.303 59.459 58.200 -0.073 0.000 0.964 491 S CB -0.360 62.820 63.200 -0.034 0.000 0.763 491 S HN 0.630 nan 8.310 nan 0.000 0.512 492 G N 0.840 109.588 108.800 -0.087 0.000 2.812 492 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.219 492 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.219 492 G C 0.410 175.269 174.900 -0.068 0.000 1.275 492 G CA 0.252 45.311 45.100 -0.068 0.000 0.769 492 G HN 1.628 nan 8.290 nan 0.000 0.527 493 S N 2.548 118.217 115.700 -0.052 0.000 2.567 493 S HA 0.679 5.149 4.470 -0.000 0.000 0.262 493 S C -2.091 172.505 174.600 -0.007 0.000 1.237 493 S CA -0.992 57.191 58.200 -0.028 0.000 1.093 493 S CB 2.107 65.301 63.200 -0.010 0.000 1.095 493 S HN 0.430 nan 8.310 nan 0.000 0.489 494 P HA 0.267 nan 4.420 nan 0.000 0.273 494 P C -0.196 177.210 177.300 0.177 0.000 1.258 494 P CA -0.090 63.061 63.100 0.085 0.000 0.802 494 P CB 0.424 32.163 31.700 0.064 0.000 1.040 495 T N 0.858 115.552 114.554 0.234 0.000 2.893 495 T HA 0.434 4.784 4.350 -0.000 0.000 0.293 495 T C -0.789 173.949 174.700 0.062 0.000 1.027 495 T CA -0.821 61.360 62.100 0.134 0.000 0.988 495 T CB 0.928 69.832 68.868 0.059 0.000 1.043 495 T HN 0.258 nan 8.240 nan 0.000 0.461 496 R N 2.831 123.254 120.500 -0.128 0.000 2.246 496 R HA 0.552 4.892 4.340 -0.000 0.000 0.332 496 R C -0.712 175.397 176.300 -0.317 0.000 0.974 496 R CA -0.779 54.985 56.100 -0.560 0.000 0.837 496 R CB -0.067 29.876 30.300 -0.596 0.000 1.145 496 R HN 0.686 nan 8.270 nan 0.000 0.467 497 I N -0.634 119.761 120.570 -0.292 0.000 2.404 497 I HA 0.512 4.682 4.170 -0.000 0.000 0.293 497 I C -0.235 175.791 176.117 -0.152 0.000 0.992 497 I CA -0.368 60.839 61.300 -0.155 0.000 1.149 497 I CB 2.395 40.344 38.000 -0.085 0.000 1.315 497 I HN 0.574 nan 8.210 nan 0.000 0.446 498 T N 2.972 117.466 114.554 -0.101 0.000 2.833 498 T HA 0.362 4.712 4.350 -0.000 0.000 0.297 498 T C 0.337 175.013 174.700 -0.040 0.000 1.015 498 T CA -0.425 61.630 62.100 -0.074 0.000 0.963 498 T CB 1.349 70.176 68.868 -0.068 0.000 0.955 498 T HN 0.760 nan 8.240 nan 0.000 0.449 499 V N 1.954 121.851 119.914 -0.027 0.000 3.235 499 V HA 0.186 4.306 4.120 -0.000 0.000 0.259 499 V C 0.592 176.680 176.094 -0.009 0.000 1.133 499 V CA 1.890 64.182 62.300 -0.013 0.000 1.128 499 V CB -0.635 31.185 31.823 -0.005 0.000 0.757 499 V HN 1.051 nan 8.190 nan 0.000 0.469 500 D N -0.973 119.421 120.400 -0.010 0.000 4.725 500 D HA 0.151 4.791 4.640 -0.000 0.000 0.263 500 D C 0.870 177.167 176.300 -0.005 0.000 1.787 500 D CA 0.751 54.748 54.000 -0.004 0.000 1.071 500 D CB 0.590 41.393 40.800 0.004 0.000 1.722 500 D HN 0.247 nan 8.370 nan 0.000 0.635 501 E N -0.380 119.823 120.200 0.004 0.000 3.635 501 E HA -0.280 4.070 4.350 -0.000 0.000 0.143 501 E C 1.095 177.703 176.600 0.013 0.000 0.835 501 E CA 1.744 58.151 56.400 0.011 0.000 2.897 501 E CB -1.774 27.929 29.700 0.005 0.000 1.370 501 E HN 0.274 nan 8.360 nan 0.000 0.694 502 K N 2.923 123.328 120.400 0.009 0.000 2.281 502 K HA 0.010 4.330 4.320 -0.000 0.000 0.203 502 K C 0.166 176.771 176.600 0.009 0.000 1.046 502 K CA 1.408 57.700 56.287 0.009 0.000 0.938 502 K CB -0.607 31.897 32.500 0.006 0.000 0.737 502 K HN 0.620 nan 8.250 nan 0.000 0.458 503 S N 1.362 117.068 115.700 0.009 0.000 2.642 503 S HA -0.092 4.378 4.470 -0.000 0.000 0.308 503 S C 0.212 174.819 174.600 0.011 0.000 1.255 503 S CA 0.059 58.265 58.200 0.010 0.000 1.057 503 S CB -0.006 63.201 63.200 0.011 0.000 0.785 503 S HN 0.501 nan 8.310 nan 0.000 0.500 504 E N 2.766 122.971 120.200 0.009 0.000 3.765 504 E HA -0.319 4.031 4.350 -0.000 0.000 0.415 504 E C 0.934 177.540 176.600 0.010 0.000 1.652 504 E CA 1.288 57.693 56.400 0.009 0.000 1.888 504 E CB -0.938 28.767 29.700 0.009 0.000 1.599 504 E HN 1.044 nan 8.360 nan 0.000 0.382 505 L N -2.029 119.200 121.223 0.010 0.000 3.704 505 L HA -0.261 4.079 4.340 -0.000 0.000 0.396 505 L C 0.573 177.447 176.870 0.008 0.000 0.713 505 L CA 2.506 57.352 54.840 0.009 0.000 2.823 505 L CB -1.864 40.201 42.059 0.011 0.000 0.891 505 L HN 1.359 nan 8.230 nan 0.000 0.687 506 S N -3.586 112.119 115.700 0.007 0.000 4.683 506 S HA 0.137 4.607 4.470 -0.000 0.000 0.038 506 S C 0.591 175.195 174.600 0.007 0.000 0.861 506 S CA 0.057 58.261 58.200 0.006 0.000 0.890 506 S CB -0.855 62.349 63.200 0.006 0.000 0.373 506 S HN 0.482 nan 8.310 nan 0.000 0.802 507 R N 1.116 121.620 120.500 0.007 0.000 2.234 507 R HA 0.377 4.717 4.340 -0.000 0.000 0.209 507 R C 0.374 176.677 176.300 0.006 0.000 1.077 507 R CA 0.754 56.858 56.100 0.007 0.000 0.866 507 R CB -0.927 29.377 30.300 0.006 0.000 0.764 507 R HN 0.566 nan 8.270 nan 0.000 0.459 508 I N 1.216 121.789 120.570 0.005 0.000 3.027 508 I HA -0.231 3.939 4.170 -0.000 0.000 0.126 508 I C 0.366 176.486 176.117 0.005 0.000 0.916 508 I CA 0.282 61.585 61.300 0.005 0.000 2.774 508 I CB -1.054 36.948 38.000 0.004 0.000 0.809 508 I HN 0.221 nan 8.210 nan 0.000 0.349 509 V N 5.696 125.613 119.914 0.005 0.000 4.373 509 V HA 0.293 4.413 4.120 -0.000 0.000 0.261 509 V C 1.817 177.914 176.094 0.005 0.000 0.886 509 V CA 0.013 62.316 62.300 0.005 0.000 0.736 509 V CB -0.041 31.785 31.823 0.005 0.000 1.107 509 V HN 0.871 nan 8.190 nan 0.000 0.347 510 R N 0.166 120.669 120.500 0.005 0.000 3.988 510 R HA -0.189 4.151 4.340 -0.000 0.000 0.345 510 R C 0.773 177.076 176.300 0.004 0.000 0.241 510 R CA 1.714 57.817 56.100 0.004 0.000 1.136 510 R CB -2.144 28.159 30.300 0.004 0.000 1.014 510 R HN 1.309 nan 8.270 nan 0.000 0.555 511 G N 0.446 109.248 108.800 0.004 0.000 3.102 511 G HA2 0.477 4.437 3.960 -0.000 0.000 0.345 511 G HA3 0.477 4.437 3.960 -0.000 0.000 0.345 511 G C 0.769 175.671 174.900 0.004 0.000 1.200 511 G CA -0.170 44.932 45.100 0.004 0.000 1.163 511 G HN 0.212 nan 8.290 nan 0.000 0.465 512 V N 0.964 120.880 119.914 0.004 0.000 3.235 512 V HA 0.042 4.162 4.120 -0.000 0.000 0.259 512 V C 1.260 177.356 176.094 0.004 0.000 1.133 512 V CA 0.989 63.291 62.300 0.004 0.000 1.128 512 V CB -0.203 31.623 31.823 0.005 0.000 0.757 512 V HN 0.428 nan 8.190 nan 0.000 0.469 513 Q N -0.063 119.740 119.800 0.004 0.000 2.427 513 Q HA 0.349 4.689 4.340 -0.000 0.000 0.232 513 Q C 0.772 176.774 176.000 0.004 0.000 1.018 513 Q CA -0.132 55.674 55.803 0.004 0.000 0.965 513 Q CB 1.878 30.618 28.738 0.005 0.000 1.232 513 Q HN 0.548 nan 8.270 nan 0.000 0.510 514 E N 0.170 120.372 120.200 0.004 0.000 2.329 514 E HA 0.359 4.709 4.350 -0.000 0.000 0.189 514 E C -0.441 176.161 176.600 0.004 0.000 0.997 514 E CA -0.096 56.306 56.400 0.004 0.000 1.062 514 E CB 0.391 30.093 29.700 0.003 0.000 1.260 514 E HN 0.417 nan 8.360 nan 0.000 0.490 515 K N -2.078 118.325 120.400 0.004 0.000 10.588 515 K HA -0.001 4.319 4.320 -0.000 0.000 1.175 515 K C 0.669 177.271 176.600 0.004 0.000 0.903 515 K CA 0.629 56.918 56.287 0.004 0.000 0.714 515 K CB -1.281 31.221 32.500 0.004 0.000 1.349 515 K HN 0.275 nan 8.250 nan 0.000 0.491 516 G N 0.562 109.364 108.800 0.004 0.000 2.448 516 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.219 516 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.219 516 G C -0.462 174.440 174.900 0.003 0.000 1.127 516 G CA 1.013 46.115 45.100 0.004 0.000 0.766 516 G HN 0.621 nan 8.290 nan 0.000 0.552 517 P HA -0.009 nan 4.420 nan 0.000 0.210 517 P C 0.397 177.699 177.300 0.003 0.000 1.189 517 P CA 1.185 64.286 63.100 0.003 0.000 0.920 517 P CB 0.366 32.068 31.700 0.003 0.000 0.782 518 E N -1.670 118.532 120.200 0.003 0.000 2.388 518 E HA 0.399 4.749 4.350 -0.000 0.000 0.282 518 E C -1.389 175.213 176.600 0.002 0.000 1.026 518 E CA -0.531 55.871 56.400 0.002 0.000 0.820 518 E CB 1.618 31.319 29.700 0.002 0.000 1.226 518 E HN 0.199 nan 8.360 nan 0.000 0.432 519 S N 0.000 115.701 115.700 0.002 0.000 2.498 519 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 519 S CA 0.000 58.201 58.200 0.002 0.000 1.107 519 S CB 0.000 63.202 63.200 0.003 0.000 0.593 519 S HN 0.000 nan 8.310 nan 0.000 0.517