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 2ha9_1_A DATA FIRST_RESID 0 DATA SEQUENCE AXDIRQVTET IAXIEEQNFD IRTITXGISL LDCIDPDINR AAEKIYQKIT DATA SEQUENCE TKAANLVAVG DEIAAELGIP IVNKRVSVTP ISLIGAATDA TDYVVLAKAL DATA SEQUENCE DKAAKEIGVD FIGGFSALVQ KGYQKGDEIL INSIPRALAE TDKVCSSVNI DATA SEQUENCE GSTKSGINXT AVADXGRIIK ETANLSDXGV AKLVVFANAV EDNPFXAXAF DATA SEQUENCE HGVGEADVII NVGVSGPGVV KRALEKVRGQ SFDVVAETVK KTAFKITRIG DATA SEQUENCE QLVGQXASER LGVEFGIVDL SLAPTXXXXD SVARVLEEXG LETVGTHGTT DATA SEQUENCE AALALLNDQV KKGGVXACNX XXXXXXXXXX XXXDEGXIAA VQNGSLNLEK DATA SEQUENCE LEAXTAICSX XXDXIAIPED TPAETIAAXI ADEAAIGVIN XKTTAVRIIP DATA SEQUENCE KGKEGDXIEF XXXXXTAPVX KVNGASSVDF ISRGGQIPAP I 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 0 A HA 0.000 nan 4.320 nan 0.000 0.244 0 A C 0.000 177.553 177.584 -0.052 0.000 1.274 0 A CA 0.000 51.981 52.037 -0.093 0.000 0.836 0 A CB 0.000 18.942 19.000 -0.097 0.000 0.831 3 I N 0.749 121.315 120.570 -0.007 0.000 2.315 3 I HA -0.104 4.066 4.170 0.001 0.000 0.248 3 I C 2.182 178.295 176.117 -0.007 0.000 1.117 3 I CA 0.407 61.701 61.300 -0.011 0.000 1.404 3 I CB -0.369 37.625 38.000 -0.009 0.000 1.071 3 I HN 0.208 nan 8.210 nan 0.000 0.419 4 R N 1.216 121.716 120.500 -0.001 0.000 2.083 4 R HA -0.195 4.146 4.340 0.001 0.000 0.237 4 R C 2.371 178.673 176.300 0.005 0.000 1.137 4 R CA 1.641 57.743 56.100 0.004 0.000 0.951 4 R CB -0.599 29.707 30.300 0.010 0.000 0.851 4 R HN 0.355 nan 8.270 nan 0.000 0.434 5 Q N -0.360 119.443 119.800 0.005 0.000 2.112 5 Q HA -0.148 4.192 4.340 0.001 0.000 0.206 5 Q C 2.062 178.049 176.000 -0.021 0.000 0.987 5 Q CA 1.885 57.689 55.803 0.002 0.000 0.858 5 Q CB -0.253 28.484 28.738 -0.002 0.000 0.905 5 Q HN 0.154 nan 8.270 nan 0.000 0.420 6 V N -0.026 119.870 119.914 -0.030 0.000 2.287 6 V HA -0.329 3.792 4.120 0.001 0.000 0.248 6 V C 2.095 178.168 176.094 -0.035 0.000 1.053 6 V CA 2.236 64.510 62.300 -0.043 0.000 1.027 6 V CB -1.082 30.716 31.823 -0.041 0.000 0.646 6 V HN 0.453 nan 8.190 nan 0.000 0.447 7 T N 0.084 114.626 114.554 -0.020 0.000 2.652 7 T HA -0.227 4.123 4.350 0.001 0.000 0.267 7 T C 1.796 176.491 174.700 -0.009 0.000 1.039 7 T CA 1.961 64.054 62.100 -0.012 0.000 1.153 7 T CB -0.341 68.525 68.868 -0.004 0.000 0.863 7 T HN 0.672 nan 8.240 nan 0.000 0.428 8 E N 0.544 120.744 120.200 0.000 0.000 2.160 8 E HA -0.112 4.238 4.350 0.001 0.000 0.195 8 E C 2.340 178.935 176.600 -0.008 0.000 0.991 8 E CA 1.406 57.814 56.400 0.014 0.000 0.810 8 E CB -0.314 29.412 29.700 0.042 0.000 0.742 8 E HN 0.404 nan 8.360 nan 0.000 0.466 9 T N 1.279 115.808 114.554 -0.041 0.000 2.770 9 T HA -0.050 4.301 4.350 0.001 0.000 0.263 9 T C 2.003 176.650 174.700 -0.088 0.000 1.039 9 T CA 0.678 62.723 62.100 -0.092 0.000 1.142 9 T CB -0.156 68.634 68.868 -0.130 0.000 0.868 9 T HN 0.096 nan 8.240 nan 0.000 0.435 10 I N 1.586 122.119 120.570 -0.061 0.000 2.194 10 I HA -0.147 4.023 4.170 0.001 0.000 0.246 10 I C 1.916 178.023 176.117 -0.016 0.000 1.093 10 I CA 0.278 61.552 61.300 -0.043 0.000 1.355 10 I CB -0.748 37.234 38.000 -0.031 0.000 1.046 10 I HN 0.203 nan 8.210 nan 0.000 0.413 14 E N 2.055 122.330 120.200 0.125 0.000 2.158 14 E HA -0.045 4.305 4.350 0.001 0.000 0.191 14 E C 1.511 178.167 176.600 0.093 0.000 0.982 14 E CA 1.318 57.773 56.400 0.093 0.000 0.823 14 E CB -0.126 29.608 29.700 0.056 0.000 0.766 14 E HN 0.649 nan 8.360 nan 0.000 0.468 15 E N 0.803 121.074 120.200 0.119 0.000 2.005 15 E HA -0.081 4.269 4.350 0.001 0.000 0.191 15 E C 0.403 177.025 176.600 0.038 0.000 0.987 15 E CA 1.215 57.664 56.400 0.082 0.000 0.814 15 E CB 0.159 29.911 29.700 0.086 0.000 0.772 15 E HN 0.226 nan 8.360 nan 0.000 0.453 16 Q N 0.795 120.613 119.800 0.029 0.000 2.199 16 Q HA 0.289 4.630 4.340 0.001 0.000 0.232 16 Q C -0.782 175.032 176.000 -0.310 0.000 0.969 16 Q CA -0.523 55.129 55.803 -0.252 0.000 0.925 16 Q CB 0.831 29.226 28.738 -0.572 0.000 1.198 16 Q HN 0.109 nan 8.270 nan 0.000 0.494 17 N N 0.580 119.017 118.700 -0.438 0.000 2.399 17 N HA 0.526 5.266 4.740 0.001 0.000 0.295 17 N C -1.210 174.062 175.510 -0.396 0.000 1.048 17 N CA -0.184 52.725 53.050 -0.235 0.000 0.886 17 N CB 1.054 39.471 38.487 -0.117 0.000 1.185 17 N HN 0.313 nan 8.380 nan 0.000 0.487 18 F N -0.468 119.481 119.950 -0.001 0.000 2.603 18 F HA 0.355 4.883 4.527 0.001 0.000 0.317 18 F C 0.134 175.933 175.800 -0.002 0.000 1.066 18 F CA -0.914 57.085 58.000 -0.002 0.000 0.941 18 F CB 1.756 40.751 39.000 -0.008 0.000 1.291 18 F HN 0.210 nan 8.300 nan 0.000 0.472 19 D N 0.758 121.284 120.400 0.211 0.000 2.252 19 D HA 0.534 5.175 4.640 0.001 0.000 0.245 19 D C -1.249 175.113 176.300 0.103 0.000 1.009 19 D CA -0.207 53.864 54.000 0.117 0.000 0.870 19 D CB 1.831 42.678 40.800 0.078 0.000 1.251 19 D HN 0.189 nan 8.370 nan 0.000 0.460 20 I N 3.788 124.397 120.570 0.065 0.000 2.330 20 I HA 0.248 4.418 4.170 0.001 0.000 0.289 20 I C 1.406 177.549 176.117 0.044 0.000 1.001 20 I CA -0.357 60.969 61.300 0.044 0.000 1.193 20 I CB 1.120 39.133 38.000 0.022 0.000 1.345 20 I HN 0.279 nan 8.210 nan 0.000 0.461 21 R N 2.548 123.076 120.500 0.047 0.000 2.066 21 R HA 0.147 4.488 4.340 0.001 0.000 0.224 21 R C 0.636 176.966 176.300 0.049 0.000 1.122 21 R CA 0.644 56.772 56.100 0.048 0.000 0.974 21 R CB -0.172 30.156 30.300 0.047 0.000 0.871 21 R HN 0.579 nan 8.270 nan 0.000 0.435 22 T N -0.220 114.363 114.554 0.048 0.000 2.900 22 T HA 0.613 4.964 4.350 0.001 0.000 0.303 22 T C -1.284 173.445 174.700 0.047 0.000 1.142 22 T CA -0.593 61.538 62.100 0.051 0.000 1.007 22 T CB 1.400 70.303 68.868 0.058 0.000 1.156 22 T HN -0.056 nan 8.240 nan 0.000 0.490 23 I N 3.227 123.823 120.570 0.043 0.000 2.406 23 I HA 0.490 4.661 4.170 0.001 0.000 0.290 23 I C 0.165 176.308 176.117 0.044 0.000 0.999 23 I CA -0.471 60.856 61.300 0.044 0.000 1.124 23 I CB 2.333 40.350 38.000 0.029 0.000 1.289 23 I HN 0.622 nan 8.210 nan 0.000 0.441 27 I N 1.480 121.750 120.570 -0.501 0.000 2.500 27 I HA 0.366 4.536 4.170 0.001 0.000 0.286 27 I C 0.456 176.672 176.117 0.166 0.000 1.063 27 I CA -0.833 60.382 61.300 -0.142 0.000 1.062 27 I CB 2.167 40.139 38.000 -0.047 0.000 1.223 27 I HN 0.475 nan 8.210 nan 0.000 0.435 28 S N 5.747 121.604 115.700 0.261 0.000 2.564 28 S HA 0.404 4.874 4.470 0.001 0.000 0.278 28 S C 0.609 175.284 174.600 0.125 0.000 1.333 28 S CA -0.142 58.209 58.200 0.251 0.000 1.048 28 S CB 0.495 63.797 63.200 0.170 0.000 0.900 28 S HN 0.599 nan 8.310 nan 0.000 0.505 29 L N 5.001 126.283 121.223 0.098 0.000 2.959 29 L HA 0.175 4.515 4.340 0.001 0.000 0.259 29 L C 0.903 177.792 176.870 0.031 0.000 1.185 29 L CA -0.270 54.605 54.840 0.057 0.000 0.998 29 L CB -0.039 42.054 42.059 0.057 0.000 1.337 29 L HN 0.513 nan 8.230 nan 0.000 0.555 30 L N 1.190 122.429 121.223 0.027 0.000 2.042 30 L HA -0.226 4.114 4.340 0.001 0.000 0.210 30 L C 2.291 179.166 176.870 0.007 0.000 1.076 30 L CA 2.048 56.892 54.840 0.007 0.000 0.749 30 L CB -0.911 41.150 42.059 0.004 0.000 0.893 30 L HN 0.439 nan 8.230 nan 0.000 0.432 31 D N -1.852 118.557 120.400 0.015 0.000 2.351 31 D HA -0.173 4.467 4.640 0.001 0.000 0.216 31 D C 1.738 178.045 176.300 0.011 0.000 0.968 31 D CA 0.783 54.790 54.000 0.012 0.000 0.899 31 D CB -0.918 39.892 40.800 0.015 0.000 0.907 31 D HN 0.339 nan 8.370 nan 0.000 0.514 32 C N 0.299 119.607 119.300 0.013 0.000 2.576 32 C HA 0.321 4.781 4.460 0.001 0.000 0.267 32 C C 1.242 176.232 174.990 0.000 0.000 1.364 32 C CA -0.870 58.156 59.018 0.013 0.000 1.723 32 C CB -1.542 26.212 27.740 0.022 0.000 1.778 32 C HN 0.324 nan 8.230 nan 0.000 0.572 33 I N 1.949 122.514 120.570 -0.009 0.000 2.836 33 I HA 0.160 4.330 4.170 0.001 0.000 0.285 33 I C -0.056 176.049 176.117 -0.020 0.000 1.174 33 I CA 1.201 62.486 61.300 -0.025 0.000 1.405 33 I CB 0.422 38.403 38.000 -0.030 0.000 1.385 33 I HN 0.265 nan 8.210 nan 0.000 0.594 34 D N 6.291 126.674 120.400 -0.029 0.000 2.625 34 D HA 0.127 4.768 4.640 0.001 0.000 0.203 34 D C -2.298 173.985 176.300 -0.028 0.000 1.230 34 D CA -0.929 53.058 54.000 -0.021 0.000 0.784 34 D CB 1.941 42.733 40.800 -0.012 0.000 1.936 34 D HN 0.026 nan 8.370 nan 0.000 0.522 35 P HA -0.051 nan 4.420 nan 0.000 0.219 35 P C -0.008 177.283 177.300 -0.015 0.000 1.146 35 P CA 0.862 63.951 63.100 -0.019 0.000 0.808 35 P CB 0.234 31.928 31.700 -0.010 0.000 0.779 36 D N -0.637 119.757 120.400 -0.010 0.000 2.339 36 D HA 0.041 4.681 4.640 0.001 0.000 0.241 36 D C 1.070 177.365 176.300 -0.008 0.000 1.183 36 D CA -0.296 53.702 54.000 -0.004 0.000 0.859 36 D CB 0.110 40.910 40.800 -0.000 0.000 1.067 36 D HN -0.078 nan 8.370 nan 0.000 0.484 37 I N 4.309 124.874 120.570 -0.008 0.000 2.208 37 I HA -0.282 3.888 4.170 0.001 0.000 0.245 37 I C 1.651 177.771 176.117 0.004 0.000 1.097 37 I CA 0.980 62.272 61.300 -0.013 0.000 1.363 37 I CB 0.023 38.025 38.000 0.003 0.000 1.051 37 I HN 0.401 nan 8.210 nan 0.000 0.413 38 N N 0.865 119.571 118.700 0.011 0.000 2.192 38 N HA -0.223 4.518 4.740 0.001 0.000 0.188 38 N C 1.807 177.323 175.510 0.009 0.000 1.013 38 N CA 1.383 54.440 53.050 0.011 0.000 0.863 38 N CB -0.325 38.166 38.487 0.007 0.000 0.990 38 N HN 0.533 nan 8.380 nan 0.000 0.430 39 R N 0.602 121.106 120.500 0.007 0.000 2.100 39 R HA 0.149 4.489 4.340 0.001 0.000 0.220 39 R C 2.297 178.605 176.300 0.015 0.000 1.091 39 R CA 0.771 56.877 56.100 0.010 0.000 0.986 39 R CB -0.210 30.093 30.300 0.006 0.000 0.888 39 R HN 0.139 nan 8.270 nan 0.000 0.444 40 A N 1.858 124.682 122.820 0.006 0.000 1.908 40 A HA -0.153 4.168 4.320 0.001 0.000 0.218 40 A C 2.432 180.034 177.584 0.030 0.000 1.181 40 A CA 1.811 53.851 52.037 0.006 0.000 0.627 40 A CB -0.656 18.332 19.000 -0.021 0.000 0.818 40 A HN 0.367 nan 8.150 nan 0.000 0.445 41 A N -0.080 122.760 122.820 0.033 0.000 1.908 41 A HA -0.204 4.117 4.320 0.001 0.000 0.218 41 A C 2.000 179.634 177.584 0.083 0.000 1.181 41 A CA 2.343 54.414 52.037 0.056 0.000 0.627 41 A CB -0.468 18.558 19.000 0.044 0.000 0.818 41 A HN 0.682 nan 8.150 nan 0.000 0.445 42 E N 0.000 120.238 120.200 0.063 0.000 2.060 42 E HA -0.094 4.257 4.350 0.001 0.000 0.189 42 E C 1.871 178.544 176.600 0.121 0.000 0.974 42 E CA 1.483 57.933 56.400 0.084 0.000 0.808 42 E CB -0.293 29.427 29.700 0.032 0.000 0.768 42 E HN 0.548 nan 8.360 nan 0.000 0.453 43 K N 0.501 120.947 120.400 0.076 0.000 2.034 43 K HA -0.192 4.128 4.320 0.001 0.000 0.214 43 K C 2.246 178.889 176.600 0.071 0.000 1.051 43 K CA 2.064 58.389 56.287 0.064 0.000 0.931 43 K CB -0.477 32.046 32.500 0.038 0.000 0.715 43 K HN 0.254 nan 8.250 nan 0.000 0.446 44 I N 0.040 120.657 120.570 0.077 0.000 2.151 44 I HA -0.343 3.828 4.170 0.001 0.000 0.243 44 I C 2.496 178.668 176.117 0.093 0.000 1.080 44 I CA 1.613 62.961 61.300 0.079 0.000 1.339 44 I CB -0.437 37.617 38.000 0.089 0.000 1.039 44 I HN 0.221 nan 8.210 nan 0.000 0.409 45 Y N 1.690 122.002 120.300 0.021 0.000 2.145 45 Y HA -0.312 4.238 4.550 0.001 0.000 0.286 45 Y C 2.785 178.693 175.900 0.013 0.000 1.145 45 Y CA 1.573 59.683 58.100 0.017 0.000 1.148 45 Y CB -0.234 38.234 38.460 0.013 0.000 0.981 45 Y HN 0.103 nan 8.280 nan 0.000 0.507 46 Q N 1.083 120.960 119.800 0.128 0.000 2.029 46 Q HA -0.286 4.055 4.340 0.001 0.000 0.209 46 Q C 2.329 178.292 176.000 -0.060 0.000 0.999 46 Q CA 2.324 58.145 55.803 0.030 0.000 0.857 46 Q CB -0.652 28.136 28.738 0.082 0.000 0.926 46 Q HN 0.552 nan 8.270 nan 0.000 0.415 47 K N -0.016 120.369 120.400 -0.025 0.000 2.026 47 K HA -0.075 4.246 4.320 0.001 0.000 0.208 47 K C 2.196 178.760 176.600 -0.059 0.000 1.048 47 K CA 1.059 57.330 56.287 -0.027 0.000 0.929 47 K CB -0.166 32.334 32.500 0.001 0.000 0.713 47 K HN 0.149 nan 8.250 nan 0.000 0.439 48 I N 1.102 121.624 120.570 -0.081 0.000 2.226 48 I HA -0.260 3.910 4.170 0.001 0.000 0.245 48 I C 2.365 178.395 176.117 -0.145 0.000 1.100 48 I CA 1.680 62.924 61.300 -0.093 0.000 1.374 48 I CB -0.692 37.257 38.000 -0.087 0.000 1.057 48 I HN 0.410 nan 8.210 nan 0.000 0.413 49 T N -2.070 112.331 114.554 -0.254 0.000 2.777 49 T HA -0.133 4.217 4.350 0.001 0.000 0.266 49 T C 1.829 176.441 174.700 -0.147 0.000 1.040 49 T CA 1.789 63.727 62.100 -0.270 0.000 1.141 49 T CB -0.896 67.697 68.868 -0.460 0.000 0.868 49 T HN 0.234 nan 8.240 nan 0.000 0.444 50 T N 2.092 116.579 114.554 -0.112 0.000 2.643 50 T HA -0.027 4.324 4.350 0.001 0.000 0.264 50 T C 1.975 176.644 174.700 -0.050 0.000 1.045 50 T CA 1.000 63.063 62.100 -0.062 0.000 1.155 50 T CB -0.184 68.660 68.868 -0.040 0.000 0.863 50 T HN 0.314 nan 8.240 nan 0.000 0.420 51 K N 1.198 121.569 120.400 -0.049 0.000 2.365 51 K HA 0.212 4.533 4.320 0.001 0.000 0.199 51 K C 1.685 178.261 176.600 -0.039 0.000 1.045 51 K CA 0.595 56.860 56.287 -0.036 0.000 0.962 51 K CB 0.022 32.504 32.500 -0.030 0.000 0.759 51 K HN 0.329 nan 8.250 nan 0.000 0.469 52 A N 0.251 123.040 122.820 -0.051 0.000 2.535 52 A HA 0.378 4.698 4.320 0.001 0.000 0.273 52 A C 1.656 179.213 177.584 -0.045 0.000 1.267 52 A CA 0.336 52.346 52.037 -0.045 0.000 0.940 52 A CB 0.107 19.079 19.000 -0.047 0.000 1.101 52 A HN 0.135 nan 8.150 nan 0.000 0.521 53 A N 0.323 123.115 122.820 -0.047 0.000 2.186 53 A HA -0.111 4.209 4.320 0.001 0.000 0.219 53 A C 1.388 178.954 177.584 -0.031 0.000 1.159 53 A CA 1.450 53.462 52.037 -0.043 0.000 0.680 53 A CB -0.262 18.715 19.000 -0.039 0.000 0.787 53 A HN 0.468 nan 8.150 nan 0.000 0.467 54 N N -1.113 117.571 118.700 -0.026 0.000 2.160 54 N HA 0.149 4.889 4.740 0.001 0.000 0.226 54 N C 1.136 176.634 175.510 -0.019 0.000 1.256 54 N CA -0.170 52.868 53.050 -0.020 0.000 0.890 54 N CB 0.407 38.883 38.487 -0.017 0.000 1.116 54 N HN 0.432 nan 8.380 nan 0.000 0.517 55 L N 0.530 121.741 121.223 -0.020 0.000 2.046 55 L HA -0.076 4.265 4.340 0.001 0.000 0.208 55 L C 1.647 178.509 176.870 -0.014 0.000 1.077 55 L CA 1.364 56.194 54.840 -0.016 0.000 0.747 55 L CB 0.009 42.058 42.059 -0.017 0.000 0.896 55 L HN -0.100 nan 8.230 nan 0.000 0.432 56 V N -0.123 119.781 119.914 -0.016 0.000 2.488 56 V HA -0.142 3.978 4.120 0.001 0.000 0.246 56 V C 2.771 178.856 176.094 -0.014 0.000 1.046 56 V CA 1.299 63.590 62.300 -0.015 0.000 1.053 56 V CB -0.516 31.296 31.823 -0.019 0.000 0.679 56 V HN 0.531 nan 8.190 nan 0.000 0.458 57 A N 0.002 122.813 122.820 -0.015 0.000 1.877 57 A HA -0.170 4.150 4.320 0.001 0.000 0.216 57 A C 2.358 179.933 177.584 -0.014 0.000 1.186 57 A CA 2.105 54.133 52.037 -0.014 0.000 0.620 57 A CB -0.744 18.247 19.000 -0.014 0.000 0.822 57 A HN 0.320 nan 8.150 nan 0.000 0.443 58 V N -0.028 119.877 119.914 -0.015 0.000 2.594 58 V HA -0.171 3.950 4.120 0.001 0.000 0.253 58 V C 2.700 178.783 176.094 -0.018 0.000 1.069 58 V CA 1.795 64.085 62.300 -0.018 0.000 1.082 58 V CB -1.253 30.559 31.823 -0.018 0.000 0.680 58 V HN 0.642 nan 8.190 nan 0.000 0.469 59 G N -0.480 108.312 108.800 -0.014 0.000 2.402 59 G HA2 -0.210 3.751 3.960 0.001 0.000 0.216 59 G HA3 -0.210 3.751 3.960 0.001 0.000 0.216 59 G C 1.251 176.145 174.900 -0.011 0.000 1.162 59 G CA 0.851 45.944 45.100 -0.012 0.000 0.777 59 G HN 0.484 nan 8.290 nan 0.000 0.539 60 D N 0.875 121.269 120.400 -0.010 0.000 2.097 60 D HA -0.065 4.575 4.640 0.001 0.000 0.195 60 D C 2.483 178.777 176.300 -0.011 0.000 0.989 60 D CA 1.081 55.076 54.000 -0.009 0.000 0.827 60 D CB -0.242 40.553 40.800 -0.009 0.000 0.966 60 D HN 0.457 nan 8.370 nan 0.000 0.456 61 E N 0.443 120.635 120.200 -0.014 0.000 2.051 61 E HA -0.116 4.234 4.350 0.001 0.000 0.192 61 E C 2.402 178.991 176.600 -0.018 0.000 0.991 61 E CA 0.552 56.943 56.400 -0.015 0.000 0.799 61 E CB -0.087 29.603 29.700 -0.016 0.000 0.748 61 E HN 0.289 nan 8.360 nan 0.000 0.449 62 I N 1.275 121.831 120.570 -0.023 0.000 2.208 62 I HA -0.313 3.857 4.170 0.001 0.000 0.245 62 I C 2.572 178.675 176.117 -0.024 0.000 1.097 62 I CA 1.023 62.305 61.300 -0.030 0.000 1.363 62 I CB -0.421 37.555 38.000 -0.040 0.000 1.051 62 I HN 0.117 nan 8.210 nan 0.000 0.413 63 A N 0.900 123.711 122.820 -0.016 0.000 1.883 63 A HA -0.221 4.099 4.320 0.001 0.000 0.217 63 A C 2.572 180.153 177.584 -0.004 0.000 1.186 63 A CA 2.102 54.135 52.037 -0.007 0.000 0.624 63 A CB -0.999 18.000 19.000 -0.001 0.000 0.822 63 A HN 0.440 nan 8.150 nan 0.000 0.444 64 A N -0.180 122.636 122.820 -0.006 0.000 1.852 64 A HA -0.289 4.032 4.320 0.001 0.000 0.217 64 A C 1.858 179.438 177.584 -0.006 0.000 1.215 64 A CA 2.116 54.150 52.037 -0.005 0.000 0.641 64 A CB -1.017 17.979 19.000 -0.006 0.000 0.838 64 A HN 0.613 nan 8.150 nan 0.000 0.450 65 E N -1.096 119.097 120.200 -0.011 0.000 2.136 65 E HA -0.209 4.142 4.350 0.001 0.000 0.202 65 E C 1.504 178.096 176.600 -0.014 0.000 1.019 65 E CA 1.384 57.776 56.400 -0.014 0.000 0.819 65 E CB -0.150 29.537 29.700 -0.021 0.000 0.739 65 E HN 0.384 nan 8.360 nan 0.000 0.458 66 L N -0.857 120.357 121.223 -0.014 0.000 2.585 66 L HA 0.194 4.534 4.340 0.001 0.000 0.226 66 L C 0.910 177.783 176.870 0.004 0.000 1.113 66 L CA 0.859 55.691 54.840 -0.014 0.000 0.876 66 L CB -0.560 41.482 42.059 -0.027 0.000 1.072 66 L HN 0.182 nan 8.230 nan 0.000 0.468 67 G N 2.267 111.071 108.800 0.006 0.000 2.352 67 G HA2 -0.255 3.705 3.960 0.001 0.000 0.283 67 G HA3 -0.255 3.705 3.960 0.001 0.000 0.283 67 G C -0.013 174.905 174.900 0.030 0.000 0.946 67 G CA 0.921 46.030 45.100 0.015 0.000 1.317 67 G HN 0.495 nan 8.290 nan 0.000 0.478 68 I N -1.786 118.802 120.570 0.029 0.000 2.827 68 I HA 0.844 5.014 4.170 0.001 0.000 0.298 68 I C -2.734 173.404 176.117 0.034 0.000 1.235 68 I CA -3.279 58.050 61.300 0.048 0.000 1.021 68 I CB 2.473 40.519 38.000 0.076 0.000 1.259 68 I HN -0.022 nan 8.210 nan 0.000 0.427 69 P HA 0.429 nan 4.420 nan 0.000 0.279 69 P C -0.847 176.470 177.300 0.028 0.000 1.239 69 P CA 0.090 63.206 63.100 0.028 0.000 0.789 69 P CB 1.107 32.823 31.700 0.027 0.000 0.933 70 I N 3.145 123.727 120.570 0.020 0.000 2.371 70 I HA 0.069 4.239 4.170 0.001 0.000 0.282 70 I C 1.610 177.741 176.117 0.022 0.000 1.031 70 I CA -0.601 60.711 61.300 0.020 0.000 1.180 70 I CB 1.413 39.420 38.000 0.011 0.000 1.336 70 I HN 0.096 nan 8.210 nan 0.000 0.467 71 V N 5.854 125.786 119.914 0.030 0.000 2.214 71 V HA -0.192 3.929 4.120 0.001 0.000 0.245 71 V C 0.881 176.995 176.094 0.034 0.000 1.047 71 V CA 1.600 63.920 62.300 0.033 0.000 0.998 71 V CB -0.429 31.419 31.823 0.042 0.000 0.633 71 V HN 0.712 nan 8.190 nan 0.000 0.446 72 N N -0.093 118.632 118.700 0.042 0.000 2.292 72 N HA 0.518 5.259 4.740 0.001 0.000 0.303 72 N C -0.998 174.537 175.510 0.042 0.000 1.140 72 N CA -0.547 52.532 53.050 0.049 0.000 0.788 72 N CB 2.035 40.570 38.487 0.080 0.000 1.361 72 N HN 0.363 nan 8.380 nan 0.000 0.489 73 K N 1.555 121.977 120.400 0.037 0.000 2.507 73 K HA 0.541 4.861 4.320 0.001 0.000 0.252 73 K C -0.391 176.234 176.600 0.041 0.000 0.943 73 K CA -0.659 55.646 56.287 0.030 0.000 0.808 73 K CB 2.420 34.925 32.500 0.009 0.000 1.142 73 K HN 0.362 nan 8.250 nan 0.000 0.426 74 R N 1.042 121.575 120.500 0.056 0.000 2.947 74 R HA 0.697 5.038 4.340 0.001 0.000 0.253 74 R C -0.905 175.430 176.300 0.057 0.000 1.208 74 R CA -1.177 54.971 56.100 0.081 0.000 1.012 74 R CB 1.483 31.864 30.300 0.137 0.000 1.267 74 R HN 0.214 nan 8.270 nan 0.000 0.473 75 V N 0.402 120.360 119.914 0.073 0.000 3.007 75 V HA 0.531 4.651 4.120 0.001 0.000 0.311 75 V C -0.849 175.291 176.094 0.078 0.000 1.120 75 V CA -0.700 61.629 62.300 0.049 0.000 0.980 75 V CB 2.237 34.078 31.823 0.030 0.000 1.033 75 V HN 0.982 nan 8.190 nan 0.000 0.429 76 S N 2.145 117.879 115.700 0.058 0.000 2.540 76 S HA 0.918 5.389 4.470 0.001 0.000 0.275 76 S C -1.038 173.645 174.600 0.139 0.000 1.123 76 S CA -0.413 57.856 58.200 0.116 0.000 0.907 76 S CB 1.868 65.141 63.200 0.121 0.000 1.081 76 S HN 1.658 nan 8.310 nan 0.000 0.476 77 V N -0.598 119.447 119.914 0.218 0.000 3.102 77 V HA 0.734 4.855 4.120 0.001 0.000 0.312 77 V C 0.067 176.323 176.094 0.269 0.000 1.135 77 V CA -0.968 61.465 62.300 0.221 0.000 1.022 77 V CB 0.828 32.747 31.823 0.160 0.000 1.056 77 V HN 0.975 nan 8.190 nan 0.000 0.436 78 T N 3.831 118.519 114.554 0.224 0.000 2.781 78 T HA 0.073 4.423 4.350 0.001 0.000 0.270 78 T C -2.422 172.313 174.700 0.058 0.000 1.022 78 T CA 0.588 62.760 62.100 0.121 0.000 1.144 78 T CB -0.370 68.537 68.868 0.065 0.000 1.039 78 T HN 0.781 nan 8.240 nan 0.000 0.494 79 P HA 0.053 nan 4.420 nan 0.000 0.261 79 P C 0.871 178.108 177.300 -0.105 0.000 1.183 79 P CA -0.309 62.708 63.100 -0.139 0.000 0.761 79 P CB 0.272 31.769 31.700 -0.338 0.000 0.785 80 I N 2.629 123.139 120.570 -0.099 0.000 2.454 80 I HA -0.209 3.961 4.170 0.001 0.000 0.254 80 I C 2.190 178.204 176.117 -0.172 0.000 1.156 80 I CA 1.536 62.764 61.300 -0.121 0.000 1.433 80 I CB -1.759 36.167 38.000 -0.124 0.000 1.082 80 I HN 0.345 nan 8.210 nan 0.000 0.432 81 S N 1.231 116.826 115.700 -0.175 0.000 2.368 81 S HA -0.249 4.221 4.470 0.001 0.000 0.226 81 S C 2.126 176.675 174.600 -0.085 0.000 1.044 81 S CA 1.349 59.507 58.200 -0.071 0.000 1.062 81 S CB -1.190 61.960 63.200 -0.082 0.000 0.931 81 S HN 0.454 nan 8.310 nan 0.000 0.440 82 L N 0.671 121.830 121.223 -0.106 0.000 2.021 82 L HA -0.164 4.176 4.340 0.001 0.000 0.215 82 L C 2.682 179.477 176.870 -0.124 0.000 1.074 82 L CA 1.403 56.185 54.840 -0.096 0.000 0.760 82 L CB -0.791 41.217 42.059 -0.084 0.000 0.889 82 L HN 0.335 nan 8.230 nan 0.000 0.433 83 I N -0.019 120.461 120.570 -0.150 0.000 2.233 83 I HA -0.128 4.042 4.170 0.001 0.000 0.243 83 I C 2.766 178.685 176.117 -0.330 0.000 1.093 83 I CA 1.606 62.802 61.300 -0.173 0.000 1.380 83 I CB -2.222 35.703 38.000 -0.125 0.000 1.067 83 I HN 0.229 nan 8.210 nan 0.000 0.413 84 G N 0.953 109.397 108.800 -0.592 0.000 2.507 84 G HA2 -0.267 3.693 3.960 0.001 0.000 0.221 84 G HA3 -0.267 3.693 3.960 0.001 0.000 0.221 84 G C 1.755 176.200 174.900 -0.759 0.000 1.119 84 G CA 1.167 45.389 45.100 -1.463 0.000 0.751 84 G HN 0.517 nan 8.290 nan 0.000 0.574 85 A N 0.507 123.141 122.820 -0.310 0.000 2.067 85 A HA 0.523 4.843 4.320 0.001 0.000 0.217 85 A C 2.358 179.901 177.584 -0.069 0.000 1.156 85 A CA 1.472 53.461 52.037 -0.079 0.000 0.683 85 A CB -0.234 18.748 19.000 -0.031 0.000 0.808 85 A HN 0.811 nan 8.150 nan 0.000 0.455 86 A N -0.653 122.103 122.820 -0.108 0.000 2.346 86 A HA 0.460 4.780 4.320 0.001 0.000 0.242 86 A C 0.634 178.182 177.584 -0.060 0.000 1.323 86 A CA 0.569 52.566 52.037 -0.067 0.000 0.940 86 A CB -0.482 18.479 19.000 -0.065 0.000 0.943 86 A HN 0.261 nan 8.150 nan 0.000 0.501 87 T N -1.909 112.609 114.554 -0.060 0.000 2.865 87 T HA 0.316 4.666 4.350 0.001 0.000 0.294 87 T C -0.093 174.623 174.700 0.026 0.000 1.119 87 T CA -0.396 61.683 62.100 -0.035 0.000 1.007 87 T CB 1.727 70.537 68.868 -0.098 0.000 1.225 87 T HN 0.102 nan 8.240 nan 0.000 0.515 88 D N 0.847 121.270 120.400 0.038 0.000 2.305 88 D HA 0.284 4.925 4.640 0.001 0.000 0.206 88 D C 1.114 177.468 176.300 0.090 0.000 0.974 88 D CA 0.260 54.294 54.000 0.056 0.000 0.871 88 D CB -0.122 40.699 40.800 0.035 0.000 0.947 88 D HN 0.717 nan 8.370 nan 0.000 0.516 89 A N -0.145 122.752 122.820 0.128 0.000 2.639 89 A HA -0.029 4.291 4.320 0.001 0.000 0.229 89 A C 1.466 179.147 177.584 0.162 0.000 1.062 89 A CA 0.844 52.986 52.037 0.175 0.000 0.761 89 A CB 0.223 19.381 19.000 0.264 0.000 0.988 89 A HN 0.145 nan 8.150 nan 0.000 0.510 90 T N -0.259 114.337 114.554 0.070 0.000 2.990 90 T HA 0.221 4.571 4.350 0.001 0.000 0.249 90 T C -0.266 174.366 174.700 -0.113 0.000 1.039 90 T CA 0.982 63.070 62.100 -0.019 0.000 1.036 90 T CB -0.298 68.570 68.868 -0.001 0.000 0.994 90 T HN 1.000 nan 8.240 nan 0.000 0.489 91 D N -0.986 119.371 120.400 -0.072 0.000 2.736 91 D HA 0.246 4.886 4.640 0.001 0.000 0.223 91 D C -1.229 175.145 176.300 0.124 0.000 1.231 91 D CA -0.776 53.147 54.000 -0.128 0.000 0.818 91 D CB 0.475 41.254 40.800 -0.034 0.000 1.587 91 D HN -0.116 nan 8.370 nan 0.000 0.463 92 Y N 1.409 121.772 120.300 0.105 0.000 2.720 92 Y HA 0.271 4.821 4.550 0.001 0.000 0.277 92 Y C 1.588 177.649 175.900 0.268 0.000 1.144 92 Y CA -1.000 57.190 58.100 0.150 0.000 1.221 92 Y CB -0.030 38.490 38.460 0.100 0.000 1.163 92 Y HN 0.360 nan 8.280 nan 0.000 0.537 93 V N -0.808 119.290 119.914 0.307 0.000 2.594 93 V HA -0.234 3.887 4.120 0.001 0.000 0.253 93 V C 2.208 178.369 176.094 0.113 0.000 1.069 93 V CA 1.726 64.127 62.300 0.169 0.000 1.082 93 V CB -0.498 31.365 31.823 0.067 0.000 0.680 93 V HN 0.404 nan 8.190 nan 0.000 0.469 94 V N -0.135 119.860 119.914 0.135 0.000 2.407 94 V HA -0.211 3.910 4.120 0.001 0.000 0.248 94 V C 2.178 178.334 176.094 0.102 0.000 1.055 94 V CA 1.895 64.249 62.300 0.090 0.000 1.049 94 V CB -0.179 31.688 31.823 0.074 0.000 0.662 94 V HN 0.521 nan 8.190 nan 0.000 0.455 95 L N 0.227 121.550 121.223 0.168 0.000 2.079 95 L HA -0.154 4.186 4.340 0.001 0.000 0.210 95 L C 2.793 179.774 176.870 0.186 0.000 1.081 95 L CA 1.758 56.716 54.840 0.196 0.000 0.752 95 L CB -0.971 41.250 42.059 0.271 0.000 0.896 95 L HN 0.454 nan 8.230 nan 0.000 0.433 96 A N 0.181 123.065 122.820 0.108 0.000 1.930 96 A HA -0.170 4.150 4.320 0.001 0.000 0.217 96 A C 2.318 179.866 177.584 -0.059 0.000 1.175 96 A CA 1.366 53.310 52.037 -0.155 0.000 0.627 96 A CB -0.254 18.337 19.000 -0.681 0.000 0.815 96 A HN 0.329 nan 8.150 nan 0.000 0.443 97 K N -0.071 120.313 120.400 -0.026 0.000 2.148 97 K HA 0.017 4.338 4.320 0.001 0.000 0.204 97 K C 2.279 178.904 176.600 0.042 0.000 1.050 97 K CA 0.866 57.151 56.287 -0.004 0.000 0.942 97 K CB -0.320 32.174 32.500 -0.009 0.000 0.724 97 K HN 0.423 nan 8.250 nan 0.000 0.446 98 A N 2.058 124.920 122.820 0.070 0.000 1.873 98 A HA -0.191 4.130 4.320 0.001 0.000 0.218 98 A C 2.174 179.855 177.584 0.162 0.000 1.193 98 A CA 1.464 53.577 52.037 0.128 0.000 0.629 98 A CB -0.854 18.224 19.000 0.130 0.000 0.826 98 A HN 0.168 nan 8.150 nan 0.000 0.447 99 L N -0.860 120.433 121.223 0.118 0.000 2.042 99 L HA -0.227 4.114 4.340 0.001 0.000 0.210 99 L C 2.426 179.346 176.870 0.083 0.000 1.076 99 L CA 1.922 56.824 54.840 0.103 0.000 0.749 99 L CB -0.673 41.450 42.059 0.107 0.000 0.893 99 L HN 0.465 nan 8.230 nan 0.000 0.432 100 D N -0.033 120.403 120.400 0.060 0.000 2.149 100 D HA -0.147 4.493 4.640 0.001 0.000 0.201 100 D C 2.180 178.522 176.300 0.069 0.000 0.972 100 D CA 1.093 55.117 54.000 0.041 0.000 0.835 100 D CB 0.205 41.010 40.800 0.009 0.000 0.966 100 D HN 0.121 nan 8.370 nan 0.000 0.476 101 K N 0.172 120.643 120.400 0.119 0.000 2.026 101 K HA -0.080 4.240 4.320 0.001 0.000 0.208 101 K C 2.221 179.001 176.600 0.299 0.000 1.048 101 K CA 1.107 57.516 56.287 0.202 0.000 0.929 101 K CB -0.240 32.360 32.500 0.166 0.000 0.713 101 K HN 0.115 nan 8.250 nan 0.000 0.439 102 A N 1.856 124.836 122.820 0.267 0.000 1.865 102 A HA -0.192 4.128 4.320 0.001 0.000 0.217 102 A C 2.454 180.023 177.584 -0.025 0.000 1.191 102 A CA 2.163 54.171 52.037 -0.049 0.000 0.623 102 A CB -0.880 18.050 19.000 -0.116 0.000 0.826 102 A HN 0.360 nan 8.150 nan 0.000 0.444 103 A N -0.403 122.426 122.820 0.014 0.000 1.883 103 A HA -0.228 4.093 4.320 0.001 0.000 0.217 103 A C 2.109 179.679 177.584 -0.022 0.000 1.186 103 A CA 2.165 54.198 52.037 -0.008 0.000 0.624 103 A CB -0.533 18.468 19.000 0.001 0.000 0.822 103 A HN 0.555 nan 8.150 nan 0.000 0.444 104 K N -0.762 119.637 120.400 -0.002 0.000 2.044 104 K HA -0.224 4.096 4.320 0.001 0.000 0.210 104 K C 2.168 178.772 176.600 0.007 0.000 1.049 104 K CA 1.776 58.062 56.287 -0.003 0.000 0.927 104 K CB -0.139 32.371 32.500 0.016 0.000 0.713 104 K HN 0.529 nan 8.250 nan 0.000 0.443 105 E N 1.325 121.545 120.200 0.033 0.000 2.077 105 E HA -0.170 4.181 4.350 0.001 0.000 0.193 105 E C 1.646 178.233 176.600 -0.020 0.000 0.989 105 E CA 1.472 57.887 56.400 0.024 0.000 0.800 105 E CB -0.152 29.579 29.700 0.052 0.000 0.746 105 E HN 0.508 nan 8.360 nan 0.000 0.452 106 I N -3.720 116.823 120.570 -0.045 0.000 3.578 106 I HA 0.341 4.511 4.170 0.001 0.000 0.295 106 I C 1.261 177.356 176.117 -0.037 0.000 1.280 106 I CA 0.574 61.846 61.300 -0.048 0.000 1.347 106 I CB -0.311 37.652 38.000 -0.062 0.000 1.051 106 I HN 0.185 nan 8.210 nan 0.000 0.460 107 G N 2.693 111.471 108.800 -0.037 0.000 2.272 107 G HA2 -0.208 3.752 3.960 0.001 0.000 0.280 107 G HA3 -0.208 3.752 3.960 0.001 0.000 0.280 107 G C 0.151 175.019 174.900 -0.052 0.000 1.067 107 G CA 0.328 45.403 45.100 -0.042 0.000 0.902 107 G HN 0.754 nan 8.290 nan 0.000 0.500 108 V N -3.514 116.366 119.914 -0.057 0.000 3.134 108 V HA 0.786 4.906 4.120 0.001 0.000 0.313 108 V C 1.205 177.215 176.094 -0.140 0.000 1.069 108 V CA 0.544 62.805 62.300 -0.066 0.000 1.048 108 V CB 1.317 33.122 31.823 -0.030 0.000 1.119 108 V HN 0.082 nan 8.190 nan 0.000 0.461 109 D N 0.394 120.693 120.400 -0.168 0.000 2.106 109 D HA 0.189 4.829 4.640 0.001 0.000 0.203 109 D C -0.117 175.723 176.300 -0.767 0.000 0.977 109 D CA 1.739 55.495 54.000 -0.408 0.000 0.844 109 D CB -0.067 40.616 40.800 -0.195 0.000 1.002 109 D HN 0.503 nan 8.370 nan 0.000 0.461 110 F N -0.810 119.150 119.950 0.018 0.000 2.620 110 F HA 0.545 5.072 4.527 0.001 0.000 0.320 110 F C -0.784 175.035 175.800 0.031 0.000 1.069 110 F CA -1.267 56.748 58.000 0.024 0.000 0.953 110 F CB 2.088 41.106 39.000 0.029 0.000 1.322 110 F HN -0.284 nan 8.300 nan 0.000 0.479 111 I N 0.956 121.699 120.570 0.290 0.000 2.548 111 I HA 0.744 4.915 4.170 0.001 0.000 0.287 111 I C -0.918 175.322 176.117 0.205 0.000 1.103 111 I CA -0.095 61.320 61.300 0.192 0.000 1.049 111 I CB 1.469 39.544 38.000 0.126 0.000 1.232 111 I HN 0.627 nan 8.210 nan 0.000 0.429 112 G N 3.413 112.327 108.800 0.191 0.000 2.448 112 G HA2 0.636 4.596 3.960 0.001 0.000 0.324 112 G HA3 0.636 4.596 3.960 0.001 0.000 0.324 112 G C 0.139 175.182 174.900 0.239 0.000 1.203 112 G CA -0.217 45.005 45.100 0.203 0.000 0.954 112 G HN 1.103 nan 8.290 nan 0.000 0.480 113 G N -0.545 108.423 108.800 0.279 0.000 3.784 113 G HA2 -0.088 3.873 3.960 0.001 0.000 0.220 113 G HA3 -0.088 3.873 3.960 0.001 0.000 0.220 113 G C -0.102 174.942 174.900 0.240 0.000 0.895 113 G CA -0.511 44.759 45.100 0.283 0.000 0.939 113 G HN 0.723 nan 8.290 nan 0.000 0.708 114 F N 3.721 123.736 119.950 0.109 0.000 2.567 114 F HA 0.684 5.211 4.527 0.001 0.000 0.352 114 F C 0.159 176.000 175.800 0.068 0.000 1.229 114 F CA -0.103 57.947 58.000 0.084 0.000 1.228 114 F CB 0.221 39.270 39.000 0.082 0.000 1.568 114 F HN -0.014 nan 8.300 nan 0.000 0.634 115 S N 2.391 118.007 115.700 -0.141 0.000 2.661 115 S HA 0.939 5.410 4.470 0.001 0.000 0.285 115 S C -1.050 173.443 174.600 -0.178 0.000 1.138 115 S CA -0.727 57.415 58.200 -0.096 0.000 0.855 115 S CB 1.805 64.983 63.200 -0.036 0.000 1.136 115 S HN 0.609 nan 8.310 nan 0.000 0.484 116 A N 1.312 124.062 122.820 -0.117 0.000 2.486 116 A HA 0.742 5.063 4.320 0.001 0.000 0.300 116 A C -1.599 175.941 177.584 -0.072 0.000 1.048 116 A CA -0.649 51.322 52.037 -0.110 0.000 0.696 116 A CB 0.862 19.823 19.000 -0.065 0.000 1.278 116 A HN 0.703 nan 8.150 nan 0.000 0.405 117 L N 3.366 124.532 121.223 -0.096 0.000 2.272 117 L HA 0.396 4.736 4.340 0.001 0.000 0.284 117 L C 0.590 177.468 176.870 0.015 0.000 1.045 117 L CA -0.468 54.346 54.840 -0.043 0.000 0.842 117 L CB 1.141 43.144 42.059 -0.095 0.000 1.224 117 L HN 0.703 nan 8.230 nan 0.000 0.430 118 V N -0.237 119.713 119.914 0.059 0.000 3.159 118 V HA 0.117 4.237 4.120 0.001 0.000 0.333 118 V C 1.332 177.433 176.094 0.011 0.000 1.424 118 V CA -0.205 62.141 62.300 0.077 0.000 1.125 118 V CB 0.360 32.304 31.823 0.201 0.000 1.075 118 V HN 0.708 nan 8.190 nan 0.000 0.482 119 Q N 2.099 121.907 119.800 0.013 0.000 2.096 119 Q HA -0.222 4.119 4.340 0.001 0.000 0.208 119 Q C 1.807 177.787 176.000 -0.033 0.000 0.993 119 Q CA 2.687 58.486 55.803 -0.007 0.000 0.862 119 Q CB -0.673 28.067 28.738 0.003 0.000 0.915 119 Q HN 0.697 nan 8.270 nan 0.000 0.416 120 K N -0.613 119.770 120.400 -0.028 0.000 2.418 120 K HA 0.305 4.626 4.320 0.001 0.000 0.195 120 K C 0.331 176.894 176.600 -0.063 0.000 1.035 120 K CA 0.488 56.752 56.287 -0.039 0.000 1.003 120 K CB 0.586 33.072 32.500 -0.023 0.000 0.793 120 K HN 0.302 nan 8.250 nan 0.000 0.494 121 G N -0.000 108.750 108.800 -0.083 0.000 2.362 121 G HA2 -0.152 3.809 3.960 0.001 0.000 0.656 121 G HA3 -0.152 3.809 3.960 0.001 0.000 0.656 121 G C -1.450 173.433 174.900 -0.027 0.000 1.376 121 G CA -1.144 43.862 45.100 -0.156 0.000 0.971 121 G HN 0.117 nan 8.290 nan 0.000 0.636 122 Y N 1.052 121.340 120.300 -0.020 0.000 2.544 122 Y HA 0.335 4.885 4.550 0.001 0.000 0.330 122 Y C 1.210 177.098 175.900 -0.020 0.000 1.136 122 Y CA -0.353 57.734 58.100 -0.022 0.000 1.417 122 Y CB 0.758 39.203 38.460 -0.024 0.000 1.229 122 Y HN 0.435 nan 8.280 nan 0.000 0.532 123 Q N 2.473 122.365 119.800 0.154 0.000 2.385 123 Q HA 0.255 4.595 4.340 0.001 0.000 0.262 123 Q C -0.647 175.381 176.000 0.047 0.000 1.050 123 Q CA -1.208 54.639 55.803 0.074 0.000 0.903 123 Q CB 1.381 30.145 28.738 0.043 0.000 1.325 123 Q HN 0.565 nan 8.270 nan 0.000 0.485 124 K N -0.464 119.954 120.400 0.029 0.000 2.489 124 K HA 0.158 4.478 4.320 0.001 0.000 0.278 124 K C 0.694 177.313 176.600 0.031 0.000 1.000 124 K CA 1.327 57.629 56.287 0.024 0.000 1.012 124 K CB -0.175 32.337 32.500 0.021 0.000 0.903 124 K HN 0.730 nan 8.250 nan 0.000 0.485 125 G N 3.676 112.505 108.800 0.049 0.000 2.399 125 G HA2 -0.275 3.686 3.960 0.001 0.000 0.216 125 G HA3 -0.275 3.686 3.960 0.001 0.000 0.216 125 G C 0.686 175.592 174.900 0.010 0.000 1.096 125 G CA 0.298 45.468 45.100 0.118 0.000 0.650 125 G HN 0.740 nan 8.290 nan 0.000 0.512 126 D N 1.172 121.530 120.400 -0.070 0.000 2.084 126 D HA -0.004 4.636 4.640 0.001 0.000 0.194 126 D C 2.253 178.342 176.300 -0.350 0.000 0.990 126 D CA 1.550 55.457 54.000 -0.155 0.000 0.826 126 D CB -0.330 40.429 40.800 -0.068 0.000 0.971 126 D HN 0.700 nan 8.370 nan 0.000 0.453 127 E N 0.332 120.210 120.200 -0.537 0.000 2.110 127 E HA -0.110 4.240 4.350 0.001 0.000 0.193 127 E C 2.363 178.732 176.600 -0.384 0.000 0.988 127 E CA 0.421 56.469 56.400 -0.586 0.000 0.804 127 E CB -0.057 29.294 29.700 -0.581 0.000 0.745 127 E HN 0.300 nan 8.360 nan 0.000 0.458 128 I N 0.733 121.075 120.570 -0.381 0.000 2.286 128 I HA -0.249 3.922 4.170 0.001 0.000 0.248 128 I C 2.407 178.161 176.117 -0.605 0.000 1.115 128 I CA 0.529 61.527 61.300 -0.504 0.000 1.392 128 I CB -0.074 37.524 38.000 -0.670 0.000 1.065 128 I HN 0.129 nan 8.210 nan 0.000 0.418 129 L N 0.964 121.872 121.223 -0.525 0.000 1.988 129 L HA -0.195 4.145 4.340 0.001 0.000 0.207 129 L C 2.465 179.190 176.870 -0.242 0.000 1.071 129 L CA 1.789 56.399 54.840 -0.384 0.000 0.744 129 L CB -0.337 41.571 42.059 -0.252 0.000 0.893 129 L HN 0.059 nan 8.230 nan 0.000 0.433 130 I N 0.204 120.645 120.570 -0.214 0.000 2.185 130 I HA -0.358 3.813 4.170 0.001 0.000 0.246 130 I C 1.818 177.887 176.117 -0.080 0.000 1.088 130 I CA 2.128 63.355 61.300 -0.122 0.000 1.347 130 I CB -1.389 36.523 38.000 -0.147 0.000 1.041 130 I HN 0.470 nan 8.210 nan 0.000 0.415 131 N N 0.398 119.017 118.700 -0.134 0.000 2.457 131 N HA -0.058 4.682 4.740 0.001 0.000 0.180 131 N C 1.723 177.206 175.510 -0.044 0.000 1.050 131 N CA 0.681 53.677 53.050 -0.090 0.000 0.906 131 N CB 0.014 38.430 38.487 -0.118 0.000 0.968 131 N HN 0.183 nan 8.380 nan 0.000 0.445 132 S N 0.434 116.118 115.700 -0.027 0.000 2.474 132 S HA 0.041 4.511 4.470 0.001 0.000 0.235 132 S C 1.731 176.447 174.600 0.193 0.000 0.997 132 S CA 0.454 58.715 58.200 0.100 0.000 0.949 132 S CB -0.124 63.208 63.200 0.221 0.000 0.766 132 S HN 0.297 nan 8.310 nan 0.000 0.517 133 I N 1.860 122.548 120.570 0.196 0.000 2.179 133 I HA -0.122 4.048 4.170 0.001 0.000 0.242 133 I C -0.889 175.278 176.117 0.084 0.000 1.088 133 I CA 1.095 62.524 61.300 0.215 0.000 1.357 133 I CB -1.279 36.824 38.000 0.172 0.000 1.051 133 I HN 0.169 nan 8.210 nan 0.000 0.409 134 P HA -0.203 nan 4.420 nan 0.000 0.215 134 P C 1.573 178.877 177.300 0.007 0.000 1.157 134 P CA 1.540 64.653 63.100 0.021 0.000 0.874 134 P CB 0.003 31.711 31.700 0.014 0.000 0.790 135 R N -0.442 120.063 120.500 0.008 0.000 2.062 135 R HA 0.008 4.348 4.340 0.001 0.000 0.229 135 R C 2.198 178.475 176.300 -0.038 0.000 1.128 135 R CA 1.568 57.664 56.100 -0.007 0.000 0.960 135 R CB -1.310 28.992 30.300 0.004 0.000 0.855 135 R HN 0.009 nan 8.270 nan 0.000 0.432 136 A N 0.706 123.488 122.820 -0.063 0.000 1.884 136 A HA -0.198 4.123 4.320 0.001 0.000 0.219 136 A C 2.184 179.655 177.584 -0.189 0.000 1.197 136 A CA 1.836 53.739 52.037 -0.224 0.000 0.637 136 A CB -0.876 17.844 19.000 -0.467 0.000 0.827 136 A HN 0.366 nan 8.150 nan 0.000 0.450 137 L N -1.168 119.985 121.223 -0.116 0.000 2.217 137 L HA -0.098 4.242 4.340 0.001 0.000 0.211 137 L C 3.008 179.856 176.870 -0.037 0.000 1.107 137 L CA 0.708 55.506 54.840 -0.069 0.000 0.783 137 L CB -0.502 41.541 42.059 -0.027 0.000 0.919 137 L HN 0.468 nan 8.230 nan 0.000 0.442 138 A N 0.191 122.993 122.820 -0.030 0.000 1.930 138 A HA -0.165 4.155 4.320 0.001 0.000 0.217 138 A C 1.828 179.399 177.584 -0.021 0.000 1.175 138 A CA 1.375 53.402 52.037 -0.018 0.000 0.627 138 A CB -0.214 18.778 19.000 -0.012 0.000 0.815 138 A HN 0.478 nan 8.150 nan 0.000 0.443 139 E N -0.195 119.984 120.200 -0.035 0.000 2.499 139 E HA 0.116 4.467 4.350 0.001 0.000 0.199 139 E C -0.243 176.333 176.600 -0.041 0.000 1.016 139 E CA 0.302 56.682 56.400 -0.032 0.000 0.933 139 E CB 0.382 30.062 29.700 -0.033 0.000 1.050 139 E HN 0.661 nan 8.360 nan 0.000 0.462 140 T N -2.629 111.897 114.554 -0.047 0.000 2.924 140 T HA 0.282 4.633 4.350 0.001 0.000 0.291 140 T C 0.188 174.885 174.700 -0.005 0.000 1.045 140 T CA -0.878 61.200 62.100 -0.037 0.000 1.015 140 T CB 2.026 70.852 68.868 -0.070 0.000 1.103 140 T HN -0.251 nan 8.240 nan 0.000 0.496 141 D N 0.032 120.436 120.400 0.005 0.000 2.380 141 D HA 0.123 4.763 4.640 0.001 0.000 0.212 141 D C 0.891 177.231 176.300 0.067 0.000 1.021 141 D CA 0.345 54.361 54.000 0.026 0.000 0.884 141 D CB 0.586 41.384 40.800 -0.004 0.000 1.001 141 D HN 0.554 nan 8.370 nan 0.000 0.506 142 K N 0.808 121.239 120.400 0.051 0.000 2.592 142 K HA 0.244 4.564 4.320 0.001 0.000 0.203 142 K C -0.465 176.284 176.600 0.248 0.000 1.070 142 K CA -0.039 56.286 56.287 0.064 0.000 1.062 142 K CB 2.412 34.843 32.500 -0.115 0.000 0.814 142 K HN -0.135 nan 8.250 nan 0.000 0.502 143 V N 1.421 121.445 119.914 0.183 0.000 2.472 143 V HA 0.231 4.351 4.120 0.001 0.000 0.290 143 V C 0.138 176.320 176.094 0.146 0.000 1.037 143 V CA -0.856 61.529 62.300 0.143 0.000 0.908 143 V CB 1.489 33.309 31.823 -0.005 0.000 0.985 143 V HN 0.235 nan 8.190 nan 0.000 0.454 144 C N 3.201 122.587 119.300 0.144 0.000 2.376 144 C HA 0.697 5.157 4.460 0.001 0.000 0.335 144 C C 0.669 175.745 174.990 0.144 0.000 1.229 144 C CA -0.409 58.652 59.018 0.073 0.000 1.867 144 C CB 1.135 28.874 27.740 -0.001 0.000 2.319 144 C HN 0.888 nan 8.230 nan 0.000 0.515 145 S N 1.671 117.445 115.700 0.124 0.000 2.537 145 S HA 0.850 5.321 4.470 0.001 0.000 0.301 145 S C -0.433 174.233 174.600 0.111 0.000 1.092 145 S CA -0.307 58.020 58.200 0.212 0.000 1.048 145 S CB 0.874 64.231 63.200 0.262 0.000 1.053 145 S HN 1.084 nan 8.310 nan 0.000 0.501 146 S N 2.251 118.027 115.700 0.128 0.000 2.536 146 S HA 0.705 5.176 4.470 0.001 0.000 0.271 146 S C -1.520 173.136 174.600 0.092 0.000 1.134 146 S CA -0.706 57.518 58.200 0.040 0.000 0.897 146 S CB 1.254 64.503 63.200 0.082 0.000 1.094 146 S HN 0.579 nan 8.310 nan 0.000 0.473 147 V N 2.592 122.537 119.914 0.051 0.000 2.444 147 V HA 0.519 4.639 4.120 0.001 0.000 0.294 147 V C -0.420 175.803 176.094 0.214 0.000 1.022 147 V CA -0.697 61.669 62.300 0.111 0.000 0.850 147 V CB 1.425 33.291 31.823 0.070 0.000 0.992 147 V HN 0.968 nan 8.190 nan 0.000 0.426 148 N N 3.441 122.300 118.700 0.265 0.000 2.419 148 N HA 0.457 5.197 4.740 0.001 0.000 0.264 148 N C 0.279 175.886 175.510 0.162 0.000 1.031 148 N CA -0.542 52.691 53.050 0.305 0.000 0.951 148 N CB 1.196 39.837 38.487 0.258 0.000 1.101 148 N HN 0.644 nan 8.380 nan 0.000 0.488 149 I N 0.225 120.883 120.570 0.145 0.000 4.154 149 I HA 0.637 4.807 4.170 0.001 0.000 0.334 149 I C 0.699 176.843 176.117 0.044 0.000 1.371 149 I CA -0.403 60.945 61.300 0.080 0.000 1.110 149 I CB 0.382 38.425 38.000 0.072 0.000 1.085 149 I HN 0.411 nan 8.210 nan 0.000 0.398 150 G N 0.041 108.874 108.800 0.055 0.000 2.550 150 G HA2 0.695 4.655 3.960 0.001 0.000 0.293 150 G HA3 0.695 4.655 3.960 0.001 0.000 0.293 150 G C -1.505 173.412 174.900 0.028 0.000 1.402 150 G CA -0.055 45.061 45.100 0.027 0.000 0.784 150 G HN 0.415 nan 8.290 nan 0.000 0.482 151 S N -1.973 113.735 115.700 0.013 0.000 2.547 151 S HA 0.553 5.023 4.470 0.001 0.000 0.270 151 S C 0.827 175.428 174.600 0.001 0.000 1.150 151 S CA 0.381 58.584 58.200 0.004 0.000 0.850 151 S CB 1.308 64.508 63.200 0.000 0.000 1.118 151 S HN 0.817 nan 8.310 nan 0.000 0.461 152 T N 1.571 116.125 114.554 -0.002 0.000 2.680 152 T HA -0.214 4.137 4.350 0.001 0.000 0.268 152 T C 1.571 176.268 174.700 -0.004 0.000 1.033 152 T CA 2.104 64.203 62.100 -0.002 0.000 1.152 152 T CB -0.447 68.418 68.868 -0.005 0.000 0.859 152 T HN 0.681 nan 8.240 nan 0.000 0.452 153 K N 0.239 120.635 120.400 -0.006 0.000 2.155 153 K HA 0.012 4.332 4.320 0.001 0.000 0.203 153 K C 1.580 178.175 176.600 -0.008 0.000 1.052 153 K CA 1.142 57.425 56.287 -0.007 0.000 0.948 153 K CB 0.100 32.596 32.500 -0.007 0.000 0.728 153 K HN 0.248 nan 8.250 nan 0.000 0.448 154 S N -0.863 114.832 115.700 -0.008 0.000 2.733 154 S HA 0.240 4.711 4.470 0.001 0.000 0.247 154 S C 0.269 174.860 174.600 -0.014 0.000 1.043 154 S CA 0.055 58.248 58.200 -0.012 0.000 1.066 154 S CB 1.309 64.501 63.200 -0.013 0.000 1.045 154 S HN 0.638 nan 8.310 nan 0.000 0.586 155 G N 2.339 111.134 108.800 -0.008 0.000 2.553 155 G HA2 -0.229 3.732 3.960 0.001 0.000 0.242 155 G HA3 -0.229 3.732 3.960 0.001 0.000 0.242 155 G C -0.649 174.245 174.900 -0.010 0.000 1.277 155 G CA -0.257 44.838 45.100 -0.008 0.000 0.910 155 G HN 0.388 nan 8.290 nan 0.000 0.576 156 I N 1.400 121.959 120.570 -0.017 0.000 2.436 156 I HA 0.319 4.489 4.170 0.001 0.000 0.289 156 I C 0.538 176.626 176.117 -0.048 0.000 1.010 156 I CA -0.592 60.697 61.300 -0.018 0.000 1.098 156 I CB 1.670 39.669 38.000 -0.003 0.000 1.266 156 I HN 0.757 nan 8.210 nan 0.000 0.434 160 A N 1.458 124.164 122.820 -0.190 0.000 1.902 160 A HA 0.025 4.346 4.320 0.001 0.000 0.217 160 A C 2.298 179.904 177.584 0.036 0.000 1.181 160 A CA 2.121 54.139 52.037 -0.031 0.000 0.623 160 A CB -1.026 17.942 19.000 -0.053 0.000 0.818 160 A HN 0.363 nan 8.150 nan 0.000 0.443 161 V N -0.074 119.841 119.914 0.001 0.000 2.295 161 V HA -0.279 3.841 4.120 0.001 0.000 0.246 161 V C 3.075 179.188 176.094 0.032 0.000 1.049 161 V CA 1.978 64.294 62.300 0.025 0.000 1.024 161 V CB -1.365 30.471 31.823 0.021 0.000 0.648 161 V HN 0.636 nan 8.190 nan 0.000 0.447 162 A N -0.443 122.386 122.820 0.015 0.000 1.873 162 A HA -0.200 4.120 4.320 0.001 0.000 0.218 162 A C 1.336 178.945 177.584 0.042 0.000 1.193 162 A CA 1.739 53.790 52.037 0.024 0.000 0.629 162 A CB -0.636 18.367 19.000 0.005 0.000 0.826 162 A HN 0.551 nan 8.150 nan 0.000 0.447 166 R N 0.899 121.415 120.500 0.026 0.000 2.080 166 R HA 0.071 4.412 4.340 0.001 0.000 0.236 166 R C 2.497 178.807 176.300 0.017 0.000 1.137 166 R CA 1.873 57.985 56.100 0.020 0.000 0.943 166 R CB -0.663 29.649 30.300 0.020 0.000 0.846 166 R HN 0.424 nan 8.270 nan 0.000 0.431 167 I N 0.897 121.479 120.570 0.020 0.000 2.248 167 I HA -0.314 3.856 4.170 0.001 0.000 0.248 167 I C 2.391 178.518 176.117 0.016 0.000 1.107 167 I CA 1.313 62.623 61.300 0.017 0.000 1.373 167 I CB -0.135 37.878 38.000 0.021 0.000 1.055 167 I HN 0.203 nan 8.210 nan 0.000 0.418 168 I N 0.095 120.674 120.570 0.015 0.000 2.226 168 I HA -0.299 3.871 4.170 0.001 0.000 0.245 168 I C 2.453 178.575 176.117 0.008 0.000 1.100 168 I CA 1.422 62.728 61.300 0.010 0.000 1.374 168 I CB -0.294 37.710 38.000 0.007 0.000 1.057 168 I HN 0.120 nan 8.210 nan 0.000 0.413 169 K N 0.270 120.676 120.400 0.010 0.000 2.057 169 K HA -0.204 4.116 4.320 0.001 0.000 0.206 169 K C 2.058 178.662 176.600 0.007 0.000 1.050 169 K CA 1.360 57.652 56.287 0.008 0.000 0.935 169 K CB -0.170 32.336 32.500 0.010 0.000 0.715 169 K HN 0.257 nan 8.250 nan 0.000 0.439 170 E N 0.055 120.260 120.200 0.008 0.000 2.130 170 E HA -0.167 4.184 4.350 0.001 0.000 0.196 170 E C 1.707 178.311 176.600 0.006 0.000 0.998 170 E CA 1.724 58.127 56.400 0.007 0.000 0.806 170 E CB 0.133 29.837 29.700 0.007 0.000 0.738 170 E HN 0.217 nan 8.360 nan 0.000 0.459 171 T N -0.268 114.291 114.554 0.008 0.000 2.937 171 T HA 0.014 4.364 4.350 0.001 0.000 0.260 171 T C 1.804 176.507 174.700 0.004 0.000 1.051 171 T CA 0.752 62.857 62.100 0.007 0.000 1.141 171 T CB -0.116 68.758 68.868 0.010 0.000 0.879 171 T HN 0.260 nan 8.240 nan 0.000 0.459 172 A N 3.117 125.940 122.820 0.004 0.000 1.883 172 A HA -0.180 4.141 4.320 0.001 0.000 0.217 172 A C 1.855 179.441 177.584 0.003 0.000 1.186 172 A CA 2.042 54.081 52.037 0.003 0.000 0.624 172 A CB -0.783 18.219 19.000 0.003 0.000 0.822 172 A HN 0.715 nan 8.150 nan 0.000 0.444 173 N N -1.229 117.473 118.700 0.003 0.000 2.370 173 N HA 0.207 4.947 4.740 0.001 0.000 0.198 173 N C 0.592 176.103 175.510 0.002 0.000 1.156 173 N CA 0.328 53.380 53.050 0.003 0.000 0.839 173 N CB 0.221 38.709 38.487 0.003 0.000 0.989 173 N HN 0.314 nan 8.380 nan 0.000 0.468 174 L N -0.556 120.668 121.223 0.002 0.000 2.731 174 L HA 0.395 4.736 4.340 0.001 0.000 0.240 174 L C -0.233 176.637 176.870 0.000 0.000 1.120 174 L CA 0.044 54.885 54.840 0.001 0.000 0.913 174 L CB 0.055 42.114 42.059 0.000 0.000 1.213 174 L HN 0.350 nan 8.230 nan 0.000 0.515 175 S N -3.285 112.416 115.700 0.001 0.000 2.595 175 S HA 0.393 4.864 4.470 0.001 0.000 0.270 175 S C -1.068 173.535 174.600 0.004 0.000 1.145 175 S CA -1.081 57.121 58.200 0.002 0.000 0.825 175 S CB 0.844 64.044 63.200 0.001 0.000 1.107 175 S HN -0.070 nan 8.310 nan 0.000 0.461 179 V N 0.627 120.538 119.914 -0.005 0.000 2.469 179 V HA 0.116 4.236 4.120 0.001 0.000 0.251 179 V C 2.876 178.955 176.094 -0.025 0.000 1.064 179 V CA 2.460 64.753 62.300 -0.012 0.000 1.066 179 V CB -1.367 30.451 31.823 -0.009 0.000 0.667 179 V HN 0.765 nan 8.190 nan 0.000 0.461 180 A N 0.557 123.363 122.820 -0.024 0.000 2.178 180 A HA -0.108 4.212 4.320 0.001 0.000 0.218 180 A C 1.990 179.523 177.584 -0.085 0.000 1.157 180 A CA 1.673 53.683 52.037 -0.045 0.000 0.689 180 A CB -0.471 18.511 19.000 -0.030 0.000 0.787 180 A HN 0.745 nan 8.150 nan 0.000 0.465 181 K N -0.892 119.465 120.400 -0.071 0.000 2.478 181 K HA 0.419 4.739 4.320 0.001 0.000 0.205 181 K C -0.495 176.065 176.600 -0.066 0.000 1.033 181 K CA -0.156 56.068 56.287 -0.106 0.000 1.091 181 K CB 0.497 32.956 32.500 -0.067 0.000 0.844 181 K HN 0.346 nan 8.250 nan 0.000 0.507 182 L N 1.944 123.131 121.223 -0.059 0.000 2.325 182 L HA 0.440 4.780 4.340 0.001 0.000 0.281 182 L C -1.215 175.596 176.870 -0.098 0.000 1.004 182 L CA -0.939 53.872 54.840 -0.047 0.000 0.823 182 L CB 1.603 43.647 42.059 -0.026 0.000 1.236 182 L HN -0.174 nan 8.230 nan 0.000 0.415 183 V N 5.065 124.885 119.914 -0.156 0.000 2.680 183 V HA 0.515 4.635 4.120 0.001 0.000 0.309 183 V C -0.193 175.681 176.094 -0.367 0.000 1.052 183 V CA -0.664 61.465 62.300 -0.285 0.000 0.908 183 V CB 2.272 33.816 31.823 -0.466 0.000 1.001 183 V HN 0.453 nan 8.190 nan 0.000 0.431 184 V N 3.999 123.729 119.914 -0.306 0.000 2.630 184 V HA 0.637 4.758 4.120 0.001 0.000 0.305 184 V C -0.633 175.336 176.094 -0.208 0.000 1.046 184 V CA -0.425 61.742 62.300 -0.222 0.000 0.934 184 V CB 1.822 33.611 31.823 -0.056 0.000 1.003 184 V HN 0.732 nan 8.190 nan 0.000 0.451 185 F N 0.872 120.857 119.950 0.058 0.000 2.643 185 F HA 0.808 5.336 4.527 0.001 0.000 0.314 185 F C -0.045 175.787 175.800 0.053 0.000 1.096 185 F CA -1.029 57.006 58.000 0.058 0.000 0.953 185 F CB 2.339 41.390 39.000 0.084 0.000 1.345 185 F HN 0.576 nan 8.300 nan 0.000 0.468 186 A N 1.594 124.593 122.820 0.297 0.000 2.422 186 A HA 0.566 4.887 4.320 0.001 0.000 0.302 186 A C -0.627 176.951 177.584 -0.010 0.000 1.041 186 A CA -0.675 51.429 52.037 0.112 0.000 0.708 186 A CB 0.997 20.055 19.000 0.096 0.000 1.257 186 A HN 0.854 nan 8.150 nan 0.000 0.414 187 N N -0.614 118.067 118.700 -0.031 0.000 2.754 187 N HA -0.168 4.573 4.740 0.001 0.000 0.248 187 N C 0.240 175.639 175.510 -0.184 0.000 1.093 187 N CA 1.069 54.073 53.050 -0.078 0.000 0.699 187 N CB -1.174 37.277 38.487 -0.059 0.000 1.016 187 N HN 1.421 nan 8.380 nan 0.000 0.552 188 A N 0.061 122.726 122.820 -0.257 0.000 2.522 188 A HA 0.335 4.656 4.320 0.001 0.000 0.256 188 A C 0.656 178.135 177.584 -0.174 0.000 1.086 188 A CA 0.135 51.924 52.037 -0.414 0.000 0.763 188 A CB 0.630 19.457 19.000 -0.288 0.000 1.024 188 A HN 0.303 nan 8.150 nan 0.000 0.502 189 V N 3.341 123.098 119.914 -0.261 0.000 2.398 189 V HA 0.574 4.694 4.120 0.001 0.000 0.286 189 V C 1.239 177.184 176.094 -0.248 0.000 1.026 189 V CA 0.544 62.745 62.300 -0.166 0.000 0.868 189 V CB 0.674 32.415 31.823 -0.136 0.000 0.982 189 V HN 1.221 nan 8.190 nan 0.000 0.443 190 E N 3.021 123.162 120.200 -0.099 0.000 2.236 190 E HA -0.323 4.027 4.350 0.001 0.000 0.205 190 E C 1.581 178.071 176.600 -0.184 0.000 1.028 190 E CA 2.856 59.223 56.400 -0.055 0.000 0.827 190 E CB -1.633 28.108 29.700 0.069 0.000 0.735 190 E HN 1.231 nan 8.360 nan 0.000 0.470 191 D N 0.141 120.449 120.400 -0.154 0.000 2.123 191 D HA -0.058 4.583 4.640 0.001 0.000 0.196 191 D C 1.640 177.833 176.300 -0.179 0.000 0.992 191 D CA 1.541 55.459 54.000 -0.136 0.000 0.833 191 D CB -1.728 39.008 40.800 -0.108 0.000 0.954 191 D HN 1.099 nan 8.370 nan 0.000 0.455 192 N N 1.550 120.091 118.700 -0.264 0.000 2.301 192 N HA 0.346 5.086 4.740 0.001 0.000 0.267 192 N C -1.596 173.772 175.510 -0.236 0.000 1.304 192 N CA -0.040 52.868 53.050 -0.237 0.000 0.851 192 N CB -0.908 37.409 38.487 -0.282 0.000 1.070 192 N HN 0.350 nan 8.380 nan 0.000 0.483 193 P HA -0.095 nan 4.420 nan 0.000 0.299 193 P C 0.980 178.265 177.300 -0.024 0.000 1.959 193 P CA 2.579 65.656 63.100 -0.039 0.000 1.749 193 P CB -0.363 31.323 31.700 -0.023 0.000 0.272 199 F N -0.323 119.711 119.950 0.141 0.000 2.662 199 F HA 0.845 5.373 4.527 0.001 0.000 0.312 199 F C -0.731 175.164 175.800 0.158 0.000 1.113 199 F CA -1.288 56.796 58.000 0.140 0.000 0.951 199 F CB 0.805 39.880 39.000 0.125 0.000 1.344 199 F HN 0.504 nan 8.300 nan 0.000 0.462 200 H N 0.729 120.020 119.070 0.369 0.000 2.652 200 H HA 0.583 5.139 4.556 0.001 0.000 0.298 200 H C 0.115 175.636 175.328 0.321 0.000 1.076 200 H CA -0.411 55.775 56.048 0.229 0.000 1.360 200 H CB 0.925 30.767 29.762 0.133 0.000 1.421 200 H HN 1.042 nan 8.280 nan 0.000 0.464 201 G N 4.092 112.864 108.800 -0.047 0.000 2.403 201 G HA2 0.313 4.274 3.960 0.001 0.000 0.259 201 G HA3 0.313 4.274 3.960 0.001 0.000 0.259 201 G C -0.367 174.417 174.900 -0.193 0.000 1.244 201 G CA -0.575 44.548 45.100 0.037 0.000 0.849 201 G HN 0.622 nan 8.290 nan 0.000 0.532 202 V N 2.426 122.286 119.914 -0.090 0.000 2.673 202 V HA 0.377 4.497 4.120 0.001 0.000 0.303 202 V C 1.719 177.758 176.094 -0.092 0.000 1.046 202 V CA 1.980 64.220 62.300 -0.100 0.000 1.126 202 V CB 0.723 32.510 31.823 -0.060 0.000 0.934 202 V HN 1.710 nan 8.190 nan 0.000 0.487 203 G N 3.351 112.101 108.800 -0.083 0.000 2.253 203 G HA2 -0.200 3.760 3.960 0.001 0.000 0.251 203 G HA3 -0.200 3.760 3.960 0.001 0.000 0.251 203 G C 0.289 175.152 174.900 -0.062 0.000 0.998 203 G CA 0.173 45.239 45.100 -0.057 0.000 0.621 203 G HN 0.612 nan 8.290 nan 0.000 0.524 204 E N 0.912 121.037 120.200 -0.124 0.000 2.435 204 E HA 0.501 4.852 4.350 0.001 0.000 0.256 204 E C 1.218 177.829 176.600 0.018 0.000 1.245 204 E CA 0.451 56.797 56.400 -0.090 0.000 0.989 204 E CB 0.249 29.794 29.700 -0.258 0.000 0.983 204 E HN 0.909 nan 8.360 nan 0.000 0.480 205 A N 0.763 123.667 122.820 0.140 0.000 2.386 205 A HA -0.055 4.266 4.320 0.001 0.000 0.246 205 A C 1.001 178.724 177.584 0.232 0.000 1.089 205 A CA 0.365 52.485 52.037 0.138 0.000 0.790 205 A CB 0.055 19.115 19.000 0.099 0.000 1.042 205 A HN 0.676 nan 8.150 nan 0.000 0.497 206 D N -1.115 119.363 120.400 0.131 0.000 2.182 206 D HA -0.015 4.625 4.640 0.001 0.000 0.201 206 D C 0.076 176.429 176.300 0.089 0.000 0.986 206 D CA 1.695 55.767 54.000 0.120 0.000 0.847 206 D CB 0.070 40.907 40.800 0.062 0.000 0.942 206 D HN 0.209 nan 8.370 nan 0.000 0.467 207 V N 0.414 120.352 119.914 0.041 0.000 2.891 207 V HA 0.391 4.512 4.120 0.001 0.000 0.304 207 V C -0.635 175.435 176.094 -0.039 0.000 1.171 207 V CA -0.849 61.422 62.300 -0.049 0.000 0.943 207 V CB 2.350 34.156 31.823 -0.029 0.000 1.037 207 V HN -0.053 nan 8.190 nan 0.000 0.427 208 I N 4.014 124.526 120.570 -0.098 0.000 3.006 208 I HA 0.545 4.715 4.170 0.001 0.000 0.306 208 I C -1.214 174.889 176.117 -0.022 0.000 1.250 208 I CA -0.721 60.557 61.300 -0.035 0.000 0.996 208 I CB 2.822 40.812 38.000 -0.017 0.000 1.261 208 I HN 0.422 nan 8.210 nan 0.000 0.442 209 I N 3.783 124.387 120.570 0.057 0.000 2.441 209 I HA 0.392 4.563 4.170 0.001 0.000 0.295 209 I C -0.752 175.455 176.117 0.150 0.000 0.994 209 I CA -0.443 60.927 61.300 0.117 0.000 1.144 209 I CB 1.535 39.641 38.000 0.177 0.000 1.314 209 I HN 0.522 nan 8.210 nan 0.000 0.445 210 N N 5.163 123.935 118.700 0.120 0.000 2.284 210 N HA 0.611 5.352 4.740 0.001 0.000 0.289 210 N C -1.371 174.238 175.510 0.165 0.000 1.179 210 N CA -0.439 52.690 53.050 0.133 0.000 0.774 210 N CB 2.916 41.405 38.487 0.004 0.000 1.548 210 N HN 0.322 nan 8.380 nan 0.000 0.473 211 V N -2.334 117.703 119.914 0.205 0.000 2.962 211 V HA 0.981 5.102 4.120 0.001 0.000 0.313 211 V C -0.093 176.054 176.094 0.088 0.000 1.099 211 V CA -0.624 61.750 62.300 0.123 0.000 0.971 211 V CB 1.657 33.539 31.823 0.098 0.000 1.028 211 V HN 0.656 nan 8.190 nan 0.000 0.430 212 G N 2.351 111.186 108.800 0.059 0.000 2.470 212 G HA2 0.685 4.645 3.960 0.001 0.000 0.320 212 G HA3 0.685 4.645 3.960 0.001 0.000 0.320 212 G C -0.887 174.039 174.900 0.044 0.000 1.245 212 G CA -0.523 44.605 45.100 0.047 0.000 0.935 212 G HN 1.420 nan 8.290 nan 0.000 0.476 213 V N 0.941 120.881 119.914 0.042 0.000 2.960 213 V HA 0.665 4.785 4.120 0.001 0.000 0.315 213 V C 1.296 177.428 176.094 0.064 0.000 1.087 213 V CA -0.159 62.170 62.300 0.049 0.000 0.982 213 V CB 0.984 32.830 31.823 0.038 0.000 1.039 213 V HN 1.011 nan 8.190 nan 0.000 0.437 214 S N 1.783 117.536 115.700 0.088 0.000 2.298 214 S HA 0.236 4.707 4.470 0.001 0.000 0.261 214 S C 1.348 175.995 174.600 0.077 0.000 1.347 214 S CA 1.948 60.200 58.200 0.087 0.000 2.316 214 S CB -0.948 62.316 63.200 0.107 0.000 0.678 214 S HN 2.635 nan 8.310 nan 0.000 0.358 215 G N 0.250 109.100 108.800 0.082 0.000 2.472 215 G HA2 -0.134 3.826 3.960 0.001 0.000 0.217 215 G HA3 -0.134 3.826 3.960 0.001 0.000 0.217 215 G C -1.679 173.239 174.900 0.030 0.000 2.125 215 G CA 0.100 45.239 45.100 0.065 0.000 1.637 215 G HN 0.547 nan 8.290 nan 0.000 0.548 216 P HA -0.086 nan 4.420 nan 0.000 0.217 216 P C 2.094 179.394 177.300 -0.000 0.000 1.158 216 P CA 3.011 66.120 63.100 0.015 0.000 0.887 216 P CB -0.543 31.165 31.700 0.014 0.000 0.792 217 G N -0.504 108.287 108.800 -0.014 0.000 2.459 217 G HA2 -0.274 3.686 3.960 0.001 0.000 0.217 217 G HA3 -0.274 3.686 3.960 0.001 0.000 0.217 217 G C 1.571 176.436 174.900 -0.058 0.000 1.183 217 G CA 1.416 46.494 45.100 -0.036 0.000 0.776 217 G HN 0.166 nan 8.290 nan 0.000 0.552 218 V N 0.614 120.477 119.914 -0.085 0.000 2.282 218 V HA -0.207 3.913 4.120 0.001 0.000 0.249 218 V C 2.982 179.055 176.094 -0.035 0.000 1.057 218 V CA 1.686 63.920 62.300 -0.110 0.000 1.032 218 V CB -0.952 30.793 31.823 -0.131 0.000 0.645 218 V HN 0.233 nan 8.190 nan 0.000 0.447 219 V N 0.044 119.958 119.914 0.001 0.000 2.295 219 V HA -0.271 3.849 4.120 0.001 0.000 0.246 219 V C 2.523 178.620 176.094 0.005 0.000 1.049 219 V CA 2.395 64.706 62.300 0.019 0.000 1.024 219 V CB -0.704 31.139 31.823 0.034 0.000 0.648 219 V HN 0.579 nan 8.190 nan 0.000 0.447 220 K N 0.419 120.816 120.400 -0.004 0.000 2.026 220 K HA -0.240 4.081 4.320 0.001 0.000 0.208 220 K C 2.468 179.059 176.600 -0.015 0.000 1.048 220 K CA 1.996 58.279 56.287 -0.007 0.000 0.929 220 K CB -0.226 32.268 32.500 -0.009 0.000 0.713 220 K HN 0.406 nan 8.250 nan 0.000 0.439 221 R N 0.641 121.124 120.500 -0.028 0.000 2.094 221 R HA -0.132 4.208 4.340 0.001 0.000 0.239 221 R C 2.439 178.726 176.300 -0.021 0.000 1.137 221 R CA 2.088 58.168 56.100 -0.033 0.000 0.943 221 R CB -1.767 28.500 30.300 -0.055 0.000 0.850 221 R HN 0.533 nan 8.270 nan 0.000 0.433 222 A N 0.850 123.662 122.820 -0.013 0.000 1.908 222 A HA -0.019 4.301 4.320 0.001 0.000 0.218 222 A C 2.552 180.137 177.584 0.001 0.000 1.181 222 A CA 1.593 53.631 52.037 0.002 0.000 0.627 222 A CB -0.391 18.621 19.000 0.020 0.000 0.818 222 A HN 0.502 nan 8.150 nan 0.000 0.445 223 L N -0.787 120.436 121.223 0.000 0.000 2.083 223 L HA -0.231 4.109 4.340 0.001 0.000 0.209 223 L C 2.557 179.418 176.870 -0.015 0.000 1.083 223 L CA 1.683 56.519 54.840 -0.006 0.000 0.752 223 L CB -0.703 41.354 42.059 -0.003 0.000 0.899 223 L HN 0.487 nan 8.230 nan 0.000 0.433 224 E N 0.318 120.509 120.200 -0.015 0.000 2.097 224 E HA -0.299 4.052 4.350 0.001 0.000 0.196 224 E C 2.046 178.635 176.600 -0.018 0.000 1.000 224 E CA 1.322 57.711 56.400 -0.018 0.000 0.804 224 E CB -0.120 29.570 29.700 -0.017 0.000 0.740 224 E HN 0.280 nan 8.360 nan 0.000 0.454 225 K N 0.435 120.827 120.400 -0.014 0.000 2.442 225 K HA -0.139 4.181 4.320 0.001 0.000 0.200 225 K C 1.407 177.997 176.600 -0.017 0.000 1.045 225 K CA 1.188 57.468 56.287 -0.013 0.000 0.937 225 K CB 0.185 32.680 32.500 -0.007 0.000 0.757 225 K HN 0.176 nan 8.250 nan 0.000 0.474 226 V N -2.580 117.320 119.914 -0.023 0.000 3.252 226 V HA 0.284 4.404 4.120 0.001 0.000 0.320 226 V C -0.203 175.861 176.094 -0.050 0.000 1.459 226 V CA -0.797 61.483 62.300 -0.033 0.000 1.095 226 V CB -0.027 31.777 31.823 -0.031 0.000 0.997 226 V HN 0.009 nan 8.190 nan 0.000 0.469 227 R N 1.937 122.410 120.500 -0.046 0.000 2.543 227 R HA 0.047 4.387 4.340 0.001 0.000 0.280 227 R C 1.573 177.837 176.300 -0.059 0.000 0.885 227 R CA 1.601 57.669 56.100 -0.052 0.000 1.130 227 R CB -0.439 29.839 30.300 -0.037 0.000 0.871 227 R HN 1.131 nan 8.270 nan 0.000 0.424 228 G N 2.177 110.930 108.800 -0.079 0.000 2.299 228 G HA2 -0.310 3.651 3.960 0.001 0.000 0.237 228 G HA3 -0.310 3.651 3.960 0.001 0.000 0.237 228 G C 0.133 174.980 174.900 -0.087 0.000 1.027 228 G CA 0.234 45.290 45.100 -0.074 0.000 0.619 228 G HN 0.607 nan 8.290 nan 0.000 0.513 229 Q N 1.160 120.906 119.800 -0.091 0.000 2.317 229 Q HA 0.555 4.895 4.340 0.001 0.000 0.229 229 Q C 0.936 176.852 176.000 -0.140 0.000 0.984 229 Q CA 0.121 55.872 55.803 -0.087 0.000 0.911 229 Q CB 1.168 29.872 28.738 -0.057 0.000 1.217 229 Q HN 0.722 nan 8.270 nan 0.000 0.501 230 S N -0.306 115.339 115.700 -0.091 0.000 2.589 230 S HA 0.075 4.546 4.470 0.001 0.000 0.265 230 S C 0.594 175.144 174.600 -0.083 0.000 1.342 230 S CA -0.423 57.727 58.200 -0.082 0.000 1.005 230 S CB 0.184 63.392 63.200 0.014 0.000 0.909 230 S HN 0.544 nan 8.310 nan 0.000 0.555 231 F N 0.936 120.890 119.950 0.007 0.000 2.250 231 F HA -0.085 4.442 4.527 0.001 0.000 0.301 231 F C 1.986 177.790 175.800 0.008 0.000 1.077 231 F CA 1.685 59.690 58.000 0.008 0.000 1.348 231 F CB -0.711 38.294 39.000 0.009 0.000 1.040 231 F HN 0.583 nan 8.300 nan 0.000 0.509 232 D N -0.037 120.465 120.400 0.171 0.000 2.116 232 D HA -0.189 4.452 4.640 0.001 0.000 0.193 232 D C 2.295 178.638 176.300 0.072 0.000 0.998 232 D CA 1.502 55.562 54.000 0.099 0.000 0.836 232 D CB -0.561 40.278 40.800 0.066 0.000 0.951 232 D HN 0.078 nan 8.370 nan 0.000 0.449 233 V N 0.116 120.058 119.914 0.046 0.000 2.548 233 V HA -0.145 3.976 4.120 0.001 0.000 0.249 233 V C 2.332 178.441 176.094 0.026 0.000 1.055 233 V CA 0.800 63.113 62.300 0.022 0.000 1.065 233 V CB -0.112 31.709 31.823 -0.004 0.000 0.681 233 V HN 0.123 nan 8.190 nan 0.000 0.462 234 V N 0.429 120.362 119.914 0.031 0.000 2.343 234 V HA -0.243 3.878 4.120 0.001 0.000 0.247 234 V C 2.690 178.830 176.094 0.077 0.000 1.051 234 V CA 1.971 64.297 62.300 0.042 0.000 1.036 234 V CB -1.017 30.832 31.823 0.044 0.000 0.654 234 V HN 0.560 nan 8.190 nan 0.000 0.451 235 A N -0.680 122.202 122.820 0.103 0.000 1.902 235 A HA -0.195 4.125 4.320 0.001 0.000 0.217 235 A C 2.246 179.866 177.584 0.060 0.000 1.181 235 A CA 1.650 53.739 52.037 0.087 0.000 0.623 235 A CB -0.420 18.632 19.000 0.087 0.000 0.818 235 A HN 0.472 nan 8.150 nan 0.000 0.443 236 E N -0.205 120.023 120.200 0.047 0.000 2.017 236 E HA -0.119 4.231 4.350 0.001 0.000 0.193 236 E C 2.263 178.885 176.600 0.037 0.000 0.997 236 E CA 1.800 58.220 56.400 0.032 0.000 0.804 236 E CB -0.991 28.721 29.700 0.020 0.000 0.757 236 E HN 0.580 nan 8.360 nan 0.000 0.448 237 T N 1.125 115.701 114.554 0.035 0.000 2.653 237 T HA -0.152 4.199 4.350 0.001 0.000 0.268 237 T C 2.067 176.799 174.700 0.054 0.000 1.035 237 T CA 1.625 63.748 62.100 0.039 0.000 1.154 237 T CB -0.385 68.500 68.868 0.028 0.000 0.862 237 T HN -0.022 nan 8.240 nan 0.000 0.441 238 V N 1.279 121.228 119.914 0.057 0.000 2.453 238 V HA -0.101 4.019 4.120 0.001 0.000 0.247 238 V C 2.544 178.684 176.094 0.077 0.000 1.048 238 V CA 1.363 63.703 62.300 0.065 0.000 1.049 238 V CB -0.477 31.385 31.823 0.066 0.000 0.672 238 V HN 0.429 nan 8.190 nan 0.000 0.457 239 K N 1.169 121.612 120.400 0.072 0.000 2.026 239 K HA -0.263 4.057 4.320 0.001 0.000 0.208 239 K C 2.293 178.963 176.600 0.117 0.000 1.048 239 K CA 2.125 58.462 56.287 0.084 0.000 0.929 239 K CB -0.084 32.452 32.500 0.060 0.000 0.713 239 K HN 0.585 nan 8.250 nan 0.000 0.439 240 K N 0.079 120.535 120.400 0.092 0.000 2.057 240 K HA -0.057 4.263 4.320 0.001 0.000 0.207 240 K C 1.782 178.499 176.600 0.194 0.000 1.049 240 K CA 2.171 58.533 56.287 0.124 0.000 0.931 240 K CB -0.802 31.726 32.500 0.047 0.000 0.714 240 K HN -0.007 nan 8.250 nan 0.000 0.440 241 T N 0.514 115.158 114.554 0.149 0.000 2.803 241 T HA -0.120 4.231 4.350 0.001 0.000 0.269 241 T C 2.064 176.872 174.700 0.179 0.000 1.052 241 T CA 1.412 63.611 62.100 0.165 0.000 1.136 241 T CB -0.492 68.447 68.868 0.119 0.000 0.864 241 T HN 0.468 nan 8.240 nan 0.000 0.467 242 A N 0.873 123.789 122.820 0.160 0.000 1.929 242 A HA 0.123 4.443 4.320 0.001 0.000 0.216 242 A C 1.932 179.604 177.584 0.146 0.000 1.176 242 A CA 0.752 52.869 52.037 0.134 0.000 0.628 242 A CB -0.899 18.167 19.000 0.111 0.000 0.816 242 A HN 0.430 nan 8.150 nan 0.000 0.444 243 F N 1.307 121.282 119.950 0.041 0.000 2.043 243 F HA -0.285 4.242 4.527 0.001 0.000 0.297 243 F C 2.158 177.968 175.800 0.017 0.000 1.118 243 F CA 2.496 60.512 58.000 0.027 0.000 1.202 243 F CB -0.269 38.746 39.000 0.025 0.000 0.965 243 F HN 0.164 nan 8.300 nan 0.000 0.482 244 K N 0.429 120.881 120.400 0.087 0.000 1.985 244 K HA -0.168 4.152 4.320 0.001 0.000 0.210 244 K C 2.118 178.600 176.600 -0.197 0.000 1.047 244 K CA 2.217 58.456 56.287 -0.079 0.000 0.932 244 K CB -0.603 31.979 32.500 0.136 0.000 0.716 244 K HN 0.331 nan 8.250 nan 0.000 0.439 245 I N 1.559 122.120 120.570 -0.015 0.000 2.185 245 I HA -0.351 3.820 4.170 0.001 0.000 0.246 245 I C 2.196 178.237 176.117 -0.128 0.000 1.088 245 I CA 1.570 62.857 61.300 -0.022 0.000 1.347 245 I CB -0.824 37.250 38.000 0.124 0.000 1.041 245 I HN 0.304 nan 8.210 nan 0.000 0.415 246 T N 0.301 114.776 114.554 -0.132 0.000 2.684 246 T HA -0.180 4.171 4.350 0.001 0.000 0.267 246 T C 2.039 176.600 174.700 -0.232 0.000 1.036 246 T CA 1.054 63.063 62.100 -0.151 0.000 1.148 246 T CB -0.251 68.530 68.868 -0.146 0.000 0.863 246 T HN 0.204 nan 8.240 nan 0.000 0.436 247 R N 0.671 120.940 120.500 -0.385 0.000 2.083 247 R HA -0.003 4.337 4.340 0.001 0.000 0.237 247 R C 2.401 178.531 176.300 -0.283 0.000 1.137 247 R CA 1.062 56.939 56.100 -0.372 0.000 0.951 247 R CB -1.234 28.790 30.300 -0.460 0.000 0.851 247 R HN 0.368 nan 8.270 nan 0.000 0.434 248 I N 0.256 120.628 120.570 -0.330 0.000 2.113 248 I HA -0.237 3.934 4.170 0.001 0.000 0.242 248 I C 2.502 178.490 176.117 -0.214 0.000 1.064 248 I CA 2.095 63.204 61.300 -0.319 0.000 1.320 248 I CB -1.117 36.599 38.000 -0.473 0.000 1.028 248 I HN 0.299 nan 8.210 nan 0.000 0.406 249 G N -0.733 107.968 108.800 -0.165 0.000 2.446 249 G HA2 -0.282 3.678 3.960 0.001 0.000 0.217 249 G HA3 -0.282 3.678 3.960 0.001 0.000 0.217 249 G C 1.528 176.353 174.900 -0.125 0.000 1.168 249 G CA 0.815 45.860 45.100 -0.092 0.000 0.771 249 G HN 0.483 nan 8.290 nan 0.000 0.551 250 Q N -0.458 119.266 119.800 -0.126 0.000 2.030 250 Q HA -0.094 4.246 4.340 0.001 0.000 0.204 250 Q C 2.535 178.341 176.000 -0.324 0.000 0.986 250 Q CA 1.344 57.049 55.803 -0.163 0.000 0.843 250 Q CB -0.396 28.295 28.738 -0.078 0.000 0.904 250 Q HN 0.421 nan 8.270 nan 0.000 0.420 251 L N 0.530 121.609 121.223 -0.239 0.000 2.046 251 L HA -0.148 4.193 4.340 0.001 0.000 0.208 251 L C 2.137 178.855 176.870 -0.253 0.000 1.077 251 L CA 1.406 56.108 54.840 -0.229 0.000 0.747 251 L CB -0.373 41.578 42.059 -0.181 0.000 0.896 251 L HN -0.002 nan 8.230 nan 0.000 0.432 252 V N 0.033 119.810 119.914 -0.228 0.000 2.407 252 V HA -0.183 3.937 4.120 0.001 0.000 0.248 252 V C 2.599 178.530 176.094 -0.271 0.000 1.055 252 V CA 1.683 63.867 62.300 -0.194 0.000 1.049 252 V CB -1.541 30.206 31.823 -0.127 0.000 0.662 252 V HN 0.638 nan 8.190 nan 0.000 0.455 253 G N -1.088 107.439 108.800 -0.455 0.000 2.432 253 G HA2 -0.208 3.752 3.960 0.001 0.000 0.219 253 G HA3 -0.208 3.752 3.960 0.001 0.000 0.219 253 G C 0.968 175.307 174.900 -0.935 0.000 1.135 253 G CA 0.324 44.914 45.100 -0.850 0.000 0.767 253 G HN 0.543 nan 8.290 nan 0.000 0.550 257 S N 0.320 115.992 115.700 -0.047 0.000 2.356 257 S HA -0.197 4.274 4.470 0.001 0.000 0.223 257 S C 1.717 176.316 174.600 -0.001 0.000 1.032 257 S CA 2.206 60.412 58.200 0.010 0.000 1.005 257 S CB -0.240 62.999 63.200 0.066 0.000 0.867 257 S HN 0.478 nan 8.310 nan 0.000 0.449 258 E N 0.995 121.180 120.200 -0.026 0.000 2.021 258 E HA -0.134 4.216 4.350 0.001 0.000 0.200 258 E C 2.566 179.155 176.600 -0.017 0.000 1.015 258 E CA 1.708 58.095 56.400 -0.021 0.000 0.824 258 E CB -0.122 29.557 29.700 -0.036 0.000 0.762 258 E HN 0.445 nan 8.360 nan 0.000 0.454 259 R N -0.212 120.273 120.500 -0.024 0.000 2.091 259 R HA -0.142 4.198 4.340 0.001 0.000 0.238 259 R C 2.162 178.454 176.300 -0.013 0.000 1.136 259 R CA 0.933 57.022 56.100 -0.019 0.000 0.959 259 R CB -0.506 29.779 30.300 -0.024 0.000 0.856 259 R HN 0.237 nan 8.270 nan 0.000 0.437 260 L N -0.270 120.947 121.223 -0.010 0.000 2.217 260 L HA 0.053 4.393 4.340 0.001 0.000 0.211 260 L C 1.133 178.003 176.870 -0.001 0.000 1.107 260 L CA 1.658 56.495 54.840 -0.006 0.000 0.783 260 L CB -1.281 40.777 42.059 -0.002 0.000 0.919 260 L HN 0.555 nan 8.230 nan 0.000 0.442 261 G N -0.076 108.726 108.800 0.003 0.000 2.303 261 G HA2 -0.151 3.809 3.960 0.001 0.000 0.260 261 G HA3 -0.151 3.809 3.960 0.001 0.000 0.260 261 G C -0.296 174.612 174.900 0.013 0.000 1.106 261 G CA 0.212 45.316 45.100 0.007 0.000 0.900 261 G HN 0.148 nan 8.290 nan 0.000 0.495 262 V N -0.338 119.590 119.914 0.023 0.000 2.969 262 V HA 0.380 4.500 4.120 0.001 0.000 0.304 262 V C 0.396 176.522 176.094 0.054 0.000 1.192 262 V CA -1.200 61.118 62.300 0.029 0.000 0.962 262 V CB 2.023 33.859 31.823 0.022 0.000 1.045 262 V HN 0.468 nan 8.190 nan 0.000 0.428 263 E N 2.155 122.388 120.200 0.055 0.000 2.408 263 E HA 0.199 4.549 4.350 0.001 0.000 0.259 263 E C -1.143 175.541 176.600 0.140 0.000 1.110 263 E CA -0.083 56.366 56.400 0.081 0.000 0.929 263 E CB 0.895 30.623 29.700 0.047 0.000 0.971 263 E HN 0.416 nan 8.360 nan 0.000 0.438 264 F N 0.611 120.557 119.950 -0.007 0.000 2.399 264 F HA 0.495 5.022 4.527 0.001 0.000 0.334 264 F C 0.494 176.291 175.800 -0.005 0.000 1.097 264 F CA -0.471 57.522 58.000 -0.011 0.000 1.076 264 F CB 1.136 40.126 39.000 -0.016 0.000 1.162 264 F HN 0.396 nan 8.300 nan 0.000 0.495 265 G N 4.490 112.776 108.800 -0.856 0.000 3.387 265 G HA2 0.401 4.362 3.960 0.001 0.000 0.195 265 G HA3 0.401 4.362 3.960 0.001 0.000 0.195 265 G C -0.421 173.829 174.900 -1.084 0.000 1.853 265 G CA 0.125 44.801 45.100 -0.707 0.000 0.879 265 G HN 0.749 nan 8.290 nan 0.000 0.651 266 I N -2.007 118.173 120.570 -0.650 0.000 3.237 266 I HA 0.813 4.983 4.170 0.001 0.000 0.308 266 I C -0.381 175.640 176.117 -0.160 0.000 1.093 266 I CA -1.540 59.506 61.300 -0.424 0.000 1.001 266 I CB 1.680 39.562 38.000 -0.196 0.000 1.245 266 I HN 0.440 nan 8.210 nan 0.000 0.485 267 V N 0.551 120.464 119.914 -0.001 0.000 3.001 267 V HA 0.584 4.704 4.120 0.001 0.000 0.314 267 V C -0.684 175.426 176.094 0.028 0.000 1.099 267 V CA -0.213 62.137 62.300 0.082 0.000 0.989 267 V CB 1.880 33.802 31.823 0.166 0.000 1.040 267 V HN 0.898 nan 8.190 nan 0.000 0.434 268 D N 2.065 122.483 120.400 0.031 0.000 2.279 268 D HA 0.601 5.241 4.640 0.001 0.000 0.285 268 D C -0.593 175.720 176.300 0.021 0.000 1.167 268 D CA 0.342 54.353 54.000 0.019 0.000 1.064 268 D CB 0.296 41.109 40.800 0.021 0.000 1.108 268 D HN 0.501 nan 8.370 nan 0.000 0.428 269 L N -0.626 120.613 121.223 0.026 0.000 2.940 269 L HA 0.098 4.438 4.340 0.001 0.000 0.247 269 L C -0.718 176.172 176.870 0.032 0.000 0.970 269 L CA -0.567 54.290 54.840 0.028 0.000 1.003 269 L CB 1.546 43.617 42.059 0.021 0.000 1.552 269 L HN 0.374 nan 8.230 nan 0.000 0.432 270 S N 1.390 117.111 115.700 0.035 0.000 2.652 270 S HA 1.001 5.471 4.470 0.001 0.000 0.270 270 S C -0.286 174.333 174.600 0.032 0.000 1.243 270 S CA 0.161 58.384 58.200 0.038 0.000 0.999 270 S CB 1.902 65.128 63.200 0.042 0.000 0.973 270 S HN 1.432 nan 8.310 nan 0.000 0.544 271 L N -0.538 120.704 121.223 0.031 0.000 2.845 271 L HA 0.850 5.190 4.340 0.001 0.000 0.256 271 L C 0.076 176.961 176.870 0.025 0.000 0.968 271 L CA -0.951 53.905 54.840 0.027 0.000 0.944 271 L CB 0.089 42.165 42.059 0.028 0.000 1.494 271 L HN 1.768 nan 8.230 nan 0.000 0.419 272 A N 2.507 125.339 122.820 0.021 0.000 2.567 272 A HA 0.599 4.920 4.320 0.001 0.000 0.240 272 A C -1.413 176.184 177.584 0.021 0.000 1.053 272 A CA 0.436 52.484 52.037 0.018 0.000 0.755 272 A CB -0.763 18.246 19.000 0.016 0.000 0.978 272 A HN 1.098 nan 8.150 nan 0.000 0.507 273 P HA 0.299 nan 4.420 nan 0.000 0.304 273 P C 0.413 177.724 177.300 0.017 0.000 1.355 273 P CA -0.076 63.036 63.100 0.020 0.000 0.838 273 P CB -0.392 31.318 31.700 0.015 0.000 2.121 280 S N -0.891 114.811 115.700 0.003 0.000 2.565 280 S HA 0.527 4.997 4.470 0.001 0.000 0.290 280 S C 1.519 176.124 174.600 0.008 0.000 1.150 280 S CA 0.042 58.246 58.200 0.006 0.000 1.058 280 S CB 1.382 64.585 63.200 0.005 0.000 1.032 280 S HN 0.939 nan 8.310 nan 0.000 0.510 281 V N 3.956 123.878 119.914 0.012 0.000 2.317 281 V HA -0.289 3.832 4.120 0.001 0.000 0.251 281 V C 2.621 178.722 176.094 0.012 0.000 1.065 281 V CA 2.548 64.857 62.300 0.015 0.000 1.049 281 V CB -1.303 30.530 31.823 0.017 0.000 0.651 281 V HN 0.959 nan 8.190 nan 0.000 0.450 282 A N 0.347 123.172 122.820 0.009 0.000 1.917 282 A HA -0.254 4.067 4.320 0.001 0.000 0.219 282 A C 2.344 179.931 177.584 0.006 0.000 1.182 282 A CA 2.054 54.094 52.037 0.006 0.000 0.633 282 A CB -0.462 18.540 19.000 0.003 0.000 0.819 282 A HN 0.587 nan 8.150 nan 0.000 0.448 283 R N -0.560 119.943 120.500 0.005 0.000 2.090 283 R HA -0.024 4.317 4.340 0.001 0.000 0.228 283 R C 2.013 178.316 176.300 0.005 0.000 1.110 283 R CA 1.270 57.372 56.100 0.003 0.000 0.973 283 R CB -1.081 29.219 30.300 0.000 0.000 0.869 283 R HN 0.405 nan 8.270 nan 0.000 0.440 284 V N 2.600 122.519 119.914 0.009 0.000 2.252 284 V HA -0.269 3.851 4.120 0.001 0.000 0.249 284 V C 2.565 178.670 176.094 0.019 0.000 1.056 284 V CA 1.900 64.208 62.300 0.013 0.000 1.022 284 V CB -0.638 31.196 31.823 0.019 0.000 0.641 284 V HN 0.214 nan 8.190 nan 0.000 0.445 285 L N -0.202 121.034 121.223 0.021 0.000 2.046 285 L HA -0.191 4.150 4.340 0.001 0.000 0.208 285 L C 2.618 179.502 176.870 0.024 0.000 1.077 285 L CA 1.763 56.620 54.840 0.028 0.000 0.747 285 L CB -0.803 41.271 42.059 0.025 0.000 0.896 285 L HN 0.431 nan 8.230 nan 0.000 0.432 286 E N -0.095 120.113 120.200 0.014 0.000 2.153 286 E HA -0.177 4.173 4.350 0.001 0.000 0.194 286 E C 1.054 177.657 176.600 0.006 0.000 0.988 286 E CA 0.425 56.830 56.400 0.009 0.000 0.811 286 E CB -0.076 29.626 29.700 0.003 0.000 0.746 286 E HN 0.383 nan 8.360 nan 0.000 0.466 290 L N 0.402 121.640 121.223 0.024 0.000 2.309 290 L HA 0.470 4.811 4.340 0.001 0.000 0.282 290 L C 1.543 178.420 176.870 0.012 0.000 1.036 290 L CA -0.749 54.106 54.840 0.024 0.000 0.806 290 L CB 2.102 44.176 42.059 0.025 0.000 1.220 290 L HN 0.310 nan 8.230 nan 0.000 0.429 291 E N 1.423 121.629 120.200 0.010 0.000 2.085 291 E HA -0.112 4.238 4.350 0.001 0.000 0.194 291 E C -0.333 176.266 176.600 -0.002 0.000 0.994 291 E CA 1.190 57.593 56.400 0.004 0.000 0.801 291 E CB 0.370 30.074 29.700 0.007 0.000 0.743 291 E HN 0.728 nan 8.360 nan 0.000 0.453 292 T N 0.379 114.928 114.554 -0.008 0.000 2.993 292 T HA 0.258 4.608 4.350 0.001 0.000 0.312 292 T C -0.859 173.829 174.700 -0.021 0.000 1.115 292 T CA -0.655 61.436 62.100 -0.014 0.000 1.027 292 T CB 2.002 70.859 68.868 -0.018 0.000 1.116 292 T HN 0.080 nan 8.240 nan 0.000 0.464 293 V N 2.917 122.822 119.914 -0.015 0.000 3.209 293 V HA 0.381 4.501 4.120 0.001 0.000 0.305 293 V C 1.504 177.577 176.094 -0.033 0.000 1.127 293 V CA 2.418 64.709 62.300 -0.016 0.000 1.235 293 V CB 0.399 32.217 31.823 -0.008 0.000 0.987 293 V HN 1.405 nan 8.190 nan 0.000 0.499 294 G N 3.365 112.140 108.800 -0.042 0.000 2.320 294 G HA2 -0.287 3.673 3.960 0.001 0.000 0.242 294 G HA3 -0.287 3.673 3.960 0.001 0.000 0.242 294 G C 0.685 175.501 174.900 -0.140 0.000 1.033 294 G CA 0.668 45.726 45.100 -0.070 0.000 0.620 294 G HN 1.309 nan 8.290 nan 0.000 0.517 295 T N 2.000 116.468 114.554 -0.144 0.000 2.813 295 T HA 0.445 4.795 4.350 0.001 0.000 0.297 295 T C 0.735 175.278 174.700 -0.263 0.000 1.036 295 T CA -0.214 61.726 62.100 -0.266 0.000 1.044 295 T CB 0.039 68.827 68.868 -0.134 0.000 0.993 295 T HN 0.330 nan 8.240 nan 0.000 0.535 296 H N 1.295 120.374 119.070 0.015 0.000 3.167 296 H HA 0.183 4.739 4.556 0.001 0.000 0.306 296 H C 1.449 176.792 175.328 0.024 0.000 0.965 296 H CA 1.276 57.333 56.048 0.016 0.000 1.408 296 H CB -0.100 29.670 29.762 0.014 0.000 1.406 296 H HN 0.982 nan 8.280 nan 0.000 0.576 297 G N 2.571 111.438 108.800 0.111 0.000 2.352 297 G HA2 -0.318 3.642 3.960 0.001 0.000 0.204 297 G HA3 -0.318 3.642 3.960 0.001 0.000 0.204 297 G C 1.472 176.404 174.900 0.053 0.000 1.004 297 G CA 0.206 45.355 45.100 0.082 0.000 0.648 297 G HN 0.549 nan 8.290 nan 0.000 0.491 298 T N 0.935 115.505 114.554 0.027 0.000 2.788 298 T HA -0.083 4.267 4.350 0.001 0.000 0.268 298 T C 2.511 177.223 174.700 0.021 0.000 1.044 298 T CA 2.922 65.033 62.100 0.017 0.000 1.139 298 T CB -0.393 68.469 68.868 -0.008 0.000 0.867 298 T HN 0.780 nan 8.240 nan 0.000 0.454 299 T N 0.948 115.514 114.554 0.019 0.000 2.942 299 T HA 0.157 4.508 4.350 0.001 0.000 0.265 299 T C 2.210 176.916 174.700 0.010 0.000 1.062 299 T CA 1.190 63.298 62.100 0.015 0.000 1.139 299 T CB -0.403 68.473 68.868 0.014 0.000 0.883 299 T HN 0.298 nan 8.240 nan 0.000 0.468 300 A N 1.169 123.993 122.820 0.006 0.000 1.940 300 A HA 0.268 4.588 4.320 0.001 0.000 0.219 300 A C 2.754 180.339 177.584 0.003 0.000 1.176 300 A CA 1.987 54.014 52.037 -0.018 0.000 0.631 300 A CB -1.307 17.665 19.000 -0.047 0.000 0.814 300 A HN 0.753 nan 8.150 nan 0.000 0.446 301 A N -0.694 122.149 122.820 0.038 0.000 1.872 301 A HA 0.050 4.371 4.320 0.001 0.000 0.214 301 A C 2.061 179.675 177.584 0.051 0.000 1.187 301 A CA 1.497 53.576 52.037 0.071 0.000 0.614 301 A CB -0.627 18.424 19.000 0.085 0.000 0.826 301 A HN 0.630 nan 8.150 nan 0.000 0.442 302 L N -0.198 121.046 121.223 0.035 0.000 2.187 302 L HA -0.108 4.233 4.340 0.001 0.000 0.213 302 L C 2.565 179.449 176.870 0.023 0.000 1.100 302 L CA 1.832 56.689 54.840 0.028 0.000 0.765 302 L CB -0.515 41.557 42.059 0.021 0.000 0.904 302 L HN 0.369 nan 8.230 nan 0.000 0.437 303 A N -1.009 121.820 122.820 0.015 0.000 1.872 303 A HA -0.153 4.168 4.320 0.001 0.000 0.214 303 A C 2.158 179.748 177.584 0.011 0.000 1.187 303 A CA 1.613 53.653 52.037 0.006 0.000 0.614 303 A CB -0.852 18.142 19.000 -0.011 0.000 0.826 303 A HN 0.402 nan 8.150 nan 0.000 0.442 304 L N -0.375 120.859 121.223 0.017 0.000 2.093 304 L HA -0.061 4.279 4.340 0.001 0.000 0.208 304 L C 2.164 179.063 176.870 0.048 0.000 1.085 304 L CA 1.533 56.393 54.840 0.034 0.000 0.755 304 L CB -0.431 41.667 42.059 0.066 0.000 0.904 304 L HN 0.465 nan 8.230 nan 0.000 0.435 305 L N -0.648 120.604 121.223 0.049 0.000 2.007 305 L HA -0.220 4.120 4.340 0.001 0.000 0.205 305 L C 2.263 179.159 176.870 0.043 0.000 1.073 305 L CA 2.056 56.927 54.840 0.051 0.000 0.744 305 L CB -0.588 41.499 42.059 0.047 0.000 0.898 305 L HN 0.443 nan 8.230 nan 0.000 0.435 306 N N 0.216 118.936 118.700 0.034 0.000 2.094 306 N HA -0.304 4.437 4.740 0.001 0.000 0.191 306 N C 1.575 177.102 175.510 0.029 0.000 1.023 306 N CA 2.207 55.274 53.050 0.029 0.000 0.857 306 N CB -0.144 38.356 38.487 0.022 0.000 1.013 306 N HN 0.426 nan 8.380 nan 0.000 0.426 307 D N -0.878 119.538 120.400 0.026 0.000 2.123 307 D HA -0.087 4.554 4.640 0.001 0.000 0.200 307 D C 1.756 178.076 176.300 0.033 0.000 0.976 307 D CA 0.980 54.994 54.000 0.024 0.000 0.831 307 D CB -0.073 40.737 40.800 0.017 0.000 0.974 307 D HN 0.245 nan 8.370 nan 0.000 0.469 308 Q N 0.056 119.880 119.800 0.041 0.000 2.167 308 Q HA -0.062 4.279 4.340 0.001 0.000 0.202 308 Q C 2.442 178.477 176.000 0.058 0.000 0.970 308 Q CA 0.483 56.316 55.803 0.050 0.000 0.855 308 Q CB -0.387 28.385 28.738 0.057 0.000 0.911 308 Q HN 0.287 nan 8.270 nan 0.000 0.438 309 V N 1.450 121.397 119.914 0.055 0.000 2.220 309 V HA -0.299 3.822 4.120 0.001 0.000 0.246 309 V C 2.454 178.581 176.094 0.055 0.000 1.049 309 V CA 2.170 64.504 62.300 0.058 0.000 1.003 309 V CB -0.565 31.288 31.823 0.050 0.000 0.634 309 V HN 0.310 nan 8.190 nan 0.000 0.444 310 K N 0.667 121.092 120.400 0.042 0.000 2.144 310 K HA -0.281 4.039 4.320 0.001 0.000 0.209 310 K C 2.024 178.650 176.600 0.044 0.000 1.047 310 K CA 2.289 58.598 56.287 0.035 0.000 0.927 310 K CB -0.221 32.294 32.500 0.025 0.000 0.716 310 K HN 0.681 nan 8.250 nan 0.000 0.454 311 K N -1.889 118.542 120.400 0.050 0.000 2.356 311 K HA 0.064 4.385 4.320 0.001 0.000 0.195 311 K C 1.885 178.535 176.600 0.083 0.000 1.037 311 K CA 0.906 57.226 56.287 0.056 0.000 1.014 311 K CB 0.277 32.802 32.500 0.042 0.000 0.815 311 K HN 0.145 nan 8.250 nan 0.000 0.507 312 G N 1.201 110.062 108.800 0.102 0.000 2.448 312 G HA2 -0.106 3.854 3.960 0.001 0.000 0.218 312 G HA3 -0.106 3.854 3.960 0.001 0.000 0.218 312 G C 1.451 176.450 174.900 0.165 0.000 1.135 312 G CA 0.520 45.720 45.100 0.167 0.000 0.784 312 G HN 0.423 nan 8.290 nan 0.000 0.543 313 G N 0.541 109.398 108.800 0.095 0.000 2.402 313 G HA2 0.078 4.038 3.960 0.001 0.000 0.216 313 G HA3 0.078 4.038 3.960 0.001 0.000 0.216 313 G C 1.184 176.127 174.900 0.071 0.000 1.162 313 G CA 1.206 46.342 45.100 0.060 0.000 0.777 313 G HN 0.773 nan 8.290 nan 0.000 0.539 317 C N -1.210 118.120 119.300 0.049 0.000 0.798 317 C HA 0.434 4.895 4.460 0.001 0.000 0.126 317 C C 0.131 175.135 174.990 0.023 0.000 0.299 317 C CA 1.299 60.337 59.018 0.035 0.000 1.638 317 C CB -2.233 25.529 27.740 0.037 0.000 2.934 317 C HN 2.995 nan 8.230 nan 0.000 0.981 334 E N 0.750 120.953 120.200 0.005 0.000 2.082 334 E HA 0.072 4.423 4.350 0.001 0.000 0.215 334 E C 1.757 178.358 176.600 0.001 0.000 1.048 334 E CA 1.837 58.238 56.400 0.003 0.000 0.869 334 E CB -0.595 29.106 29.700 0.002 0.000 0.773 334 E HN 0.687 nan 8.360 nan 0.000 0.466 338 A N 1.893 124.712 122.820 -0.002 0.000 1.978 338 A HA 0.179 4.499 4.320 0.001 0.000 0.220 338 A C 2.307 179.888 177.584 -0.005 0.000 1.170 338 A CA 2.736 54.771 52.037 -0.003 0.000 0.636 338 A CB -0.758 18.241 19.000 -0.002 0.000 0.810 338 A HN 0.809 nan 8.150 nan 0.000 0.448 339 A N -0.968 121.848 122.820 -0.006 0.000 2.081 339 A HA 0.273 4.593 4.320 0.001 0.000 0.214 339 A C 2.010 179.588 177.584 -0.010 0.000 1.158 339 A CA 0.972 53.003 52.037 -0.010 0.000 0.724 339 A CB -0.436 18.556 19.000 -0.013 0.000 0.826 339 A HN 0.320 nan 8.150 nan 0.000 0.463 340 V N 0.049 119.959 119.914 -0.007 0.000 2.392 340 V HA -0.323 3.797 4.120 0.001 0.000 0.249 340 V C 2.554 178.644 176.094 -0.005 0.000 1.059 340 V CA 2.379 64.675 62.300 -0.006 0.000 1.051 340 V CB -0.843 30.977 31.823 -0.004 0.000 0.658 340 V HN 0.639 nan 8.190 nan 0.000 0.455 341 Q N 0.604 120.402 119.800 -0.005 0.000 2.036 341 Q HA -0.056 4.284 4.340 0.001 0.000 0.195 341 Q C 2.040 178.038 176.000 -0.004 0.000 0.971 341 Q CA 1.292 57.093 55.803 -0.003 0.000 0.826 341 Q CB -0.324 28.413 28.738 -0.002 0.000 0.896 341 Q HN 0.846 nan 8.270 nan 0.000 0.449 342 N N 0.413 119.110 118.700 -0.005 0.000 2.696 342 N HA -0.111 4.630 4.740 0.001 0.000 0.196 342 N C 0.546 176.053 175.510 -0.006 0.000 1.220 342 N CA 0.829 53.876 53.050 -0.005 0.000 0.940 342 N CB -0.168 38.315 38.487 -0.006 0.000 0.999 342 N HN 0.341 nan 8.380 nan 0.000 0.447 343 G N 0.438 109.234 108.800 -0.007 0.000 2.273 343 G HA2 -0.323 3.637 3.960 0.001 0.000 0.280 343 G HA3 -0.323 3.637 3.960 0.001 0.000 0.280 343 G C 0.499 175.390 174.900 -0.015 0.000 1.047 343 G CA 0.613 45.708 45.100 -0.009 0.000 0.869 343 G HN 0.538 nan 8.290 nan 0.000 0.502 344 S N -1.549 114.140 115.700 -0.019 0.000 2.511 344 S HA 0.496 4.966 4.470 0.001 0.000 0.214 344 S C 0.983 175.559 174.600 -0.040 0.000 0.997 344 S CA 0.041 58.223 58.200 -0.031 0.000 0.908 344 S CB 0.067 63.250 63.200 -0.029 0.000 0.803 344 S HN 0.477 nan 8.310 nan 0.000 0.504 345 L N 1.783 122.990 121.223 -0.027 0.000 2.333 345 L HA 0.629 4.969 4.340 0.001 0.000 0.269 345 L C -1.279 175.581 176.870 -0.017 0.000 1.010 345 L CA -0.809 54.016 54.840 -0.024 0.000 0.818 345 L CB 1.999 44.048 42.059 -0.017 0.000 1.306 345 L HN 0.116 nan 8.230 nan 0.000 0.430 346 N N 1.556 120.247 118.700 -0.015 0.000 2.425 346 N HA 0.225 4.965 4.740 0.001 0.000 0.289 346 N C 0.435 175.941 175.510 -0.007 0.000 1.074 346 N CA -0.525 52.519 53.050 -0.011 0.000 0.905 346 N CB 2.210 40.689 38.487 -0.013 0.000 1.586 346 N HN 0.604 nan 8.380 nan 0.000 0.490 347 L N 1.816 123.036 121.223 -0.005 0.000 2.085 347 L HA -0.252 4.088 4.340 0.001 0.000 0.218 347 L C 1.743 178.612 176.870 -0.002 0.000 1.080 347 L CA 1.868 56.707 54.840 -0.002 0.000 0.776 347 L CB 0.139 42.196 42.059 -0.002 0.000 0.891 347 L HN 0.674 nan 8.230 nan 0.000 0.437 348 E N -0.461 119.737 120.200 -0.003 0.000 2.216 348 E HA -0.255 4.095 4.350 0.001 0.000 0.192 348 E C 1.937 178.537 176.600 0.000 0.000 0.988 348 E CA 0.747 57.146 56.400 -0.001 0.000 0.834 348 E CB -0.202 29.497 29.700 -0.002 0.000 0.772 348 E HN 0.321 nan 8.360 nan 0.000 0.479 349 K N 1.640 122.038 120.400 -0.003 0.000 2.025 349 K HA -0.001 4.320 4.320 0.001 0.000 0.207 349 K C 2.312 178.911 176.600 -0.002 0.000 1.049 349 K CA 0.827 57.110 56.287 -0.006 0.000 0.933 349 K CB -0.470 32.019 32.500 -0.018 0.000 0.714 349 K HN 0.117 nan 8.250 nan 0.000 0.438 350 L N 0.773 121.995 121.223 -0.002 0.000 2.079 350 L HA -0.180 4.161 4.340 0.001 0.000 0.210 350 L C 2.574 179.449 176.870 0.008 0.000 1.081 350 L CA 1.691 56.533 54.840 0.003 0.000 0.752 350 L CB -0.510 41.551 42.059 0.004 0.000 0.896 350 L HN 0.361 nan 8.230 nan 0.000 0.433 351 E N 0.648 120.852 120.200 0.007 0.000 2.110 351 E HA -0.126 4.225 4.350 0.001 0.000 0.193 351 E C 1.277 177.884 176.600 0.011 0.000 0.988 351 E CA 0.668 57.074 56.400 0.010 0.000 0.804 351 E CB 0.139 29.843 29.700 0.007 0.000 0.745 351 E HN 0.463 nan 8.360 nan 0.000 0.458 355 A N 1.706 124.535 122.820 0.015 0.000 2.067 355 A HA 0.517 4.838 4.320 0.001 0.000 0.217 355 A C 1.726 179.316 177.584 0.010 0.000 1.156 355 A CA 1.302 53.347 52.037 0.012 0.000 0.683 355 A CB -0.620 18.386 19.000 0.010 0.000 0.808 355 A HN 1.016 nan 8.150 nan 0.000 0.455 356 I N -6.556 114.020 120.570 0.010 0.000 4.050 356 I HA 0.504 4.674 4.170 0.001 0.000 0.327 356 I C 0.271 176.394 176.117 0.010 0.000 1.473 356 I CA -0.698 60.607 61.300 0.008 0.000 1.124 356 I CB -0.270 37.733 38.000 0.005 0.000 1.129 356 I HN 0.094 nan 8.210 nan 0.000 0.428 357 C N -0.938 118.370 119.300 0.013 0.000 3.094 357 C HA 0.842 5.302 4.460 0.001 0.000 0.323 357 C C 0.134 175.135 174.990 0.018 0.000 5.280 357 C CA 0.636 59.663 59.018 0.015 0.000 1.432 357 C CB 0.683 28.433 27.740 0.018 0.000 6.032 357 C HN 0.647 nan 8.230 nan 0.000 0.417 365 A N 7.135 129.953 122.820 -0.003 0.000 2.327 365 A HA 0.938 5.259 4.320 0.001 0.000 0.283 365 A C 0.048 177.631 177.584 -0.001 0.000 1.127 365 A CA -0.439 51.597 52.037 -0.002 0.000 0.810 365 A CB 0.673 19.672 19.000 -0.002 0.000 1.066 365 A HN 1.316 nan 8.150 nan 0.000 0.492 366 I N -0.535 120.034 120.570 -0.000 0.000 3.108 366 I HA 0.722 4.892 4.170 0.001 0.000 0.312 366 I C -3.126 172.992 176.117 0.001 0.000 1.095 366 I CA -2.928 58.373 61.300 0.001 0.000 1.000 366 I CB 1.794 39.795 38.000 0.002 0.000 1.229 366 I HN 0.257 nan 8.210 nan 0.000 0.454 367 P HA 0.112 nan 4.420 nan 0.000 0.270 367 P C 0.114 177.415 177.300 0.003 0.000 1.223 367 P CA 0.115 63.217 63.100 0.002 0.000 0.785 367 P CB 0.460 32.161 31.700 0.002 0.000 0.923 368 E N 1.668 121.870 120.200 0.003 0.000 2.481 368 E HA -0.124 4.226 4.350 0.001 0.000 0.195 368 E C 0.246 176.849 176.600 0.005 0.000 1.047 368 E CA 0.614 57.016 56.400 0.004 0.000 0.867 368 E CB -0.102 29.600 29.700 0.003 0.000 0.858 368 E HN 0.427 nan 8.360 nan 0.000 0.513 369 D N 0.565 120.968 120.400 0.005 0.000 2.379 369 D HA -0.071 4.569 4.640 0.001 0.000 0.208 369 D C 0.841 177.144 176.300 0.006 0.000 1.065 369 D CA 0.113 54.116 54.000 0.005 0.000 0.848 369 D CB -0.145 40.658 40.800 0.004 0.000 0.949 369 D HN 0.065 nan 8.370 nan 0.000 0.509 370 T N 0.627 115.185 114.554 0.007 0.000 2.930 370 T HA 0.311 4.662 4.350 0.001 0.000 0.306 370 T C -2.516 172.191 174.700 0.011 0.000 1.045 370 T CA -1.138 60.967 62.100 0.008 0.000 1.134 370 T CB 1.348 70.220 68.868 0.007 0.000 0.961 370 T HN -0.188 nan 8.240 nan 0.000 0.545 371 P HA 0.350 nan 4.420 nan 0.000 0.274 371 P C 0.702 178.014 177.300 0.020 0.000 1.246 371 P CA -0.535 62.574 63.100 0.016 0.000 0.795 371 P CB 0.288 31.999 31.700 0.018 0.000 1.006 372 A N 1.060 123.893 122.820 0.021 0.000 1.908 372 A HA -0.229 4.091 4.320 0.001 0.000 0.218 372 A C 1.869 179.474 177.584 0.035 0.000 1.181 372 A CA 1.832 53.885 52.037 0.025 0.000 0.627 372 A CB -1.342 17.672 19.000 0.024 0.000 0.818 372 A HN 0.577 nan 8.150 nan 0.000 0.445 373 E N -0.470 119.753 120.200 0.039 0.000 2.085 373 E HA -0.117 4.234 4.350 0.001 0.000 0.194 373 E C 2.075 178.710 176.600 0.058 0.000 0.994 373 E CA 1.780 58.213 56.400 0.055 0.000 0.801 373 E CB -0.663 29.073 29.700 0.060 0.000 0.743 373 E HN 0.582 nan 8.360 nan 0.000 0.453 374 T N 0.990 115.568 114.554 0.040 0.000 2.684 374 T HA -0.147 4.203 4.350 0.001 0.000 0.267 374 T C 1.882 176.602 174.700 0.033 0.000 1.036 374 T CA 1.250 63.368 62.100 0.031 0.000 1.148 374 T CB -0.323 68.555 68.868 0.018 0.000 0.863 374 T HN 0.114 nan 8.240 nan 0.000 0.436 375 I N 1.437 122.025 120.570 0.030 0.000 2.151 375 I HA -0.266 3.905 4.170 0.001 0.000 0.243 375 I C 2.970 179.112 176.117 0.041 0.000 1.080 375 I CA 1.418 62.736 61.300 0.029 0.000 1.339 375 I CB -0.686 37.328 38.000 0.024 0.000 1.039 375 I HN 0.221 nan 8.210 nan 0.000 0.409 376 A N 0.840 123.691 122.820 0.052 0.000 1.908 376 A HA -0.004 4.317 4.320 0.001 0.000 0.218 376 A C 1.768 179.411 177.584 0.098 0.000 1.181 376 A CA 1.385 53.462 52.037 0.067 0.000 0.627 376 A CB -0.779 18.262 19.000 0.068 0.000 0.818 376 A HN 0.419 nan 8.150 nan 0.000 0.445 380 A N 1.195 124.074 122.820 0.098 0.000 1.972 380 A HA -0.199 4.122 4.320 0.001 0.000 0.219 380 A C 1.673 179.322 177.584 0.108 0.000 1.169 380 A CA 2.519 54.632 52.037 0.126 0.000 0.635 380 A CB -0.514 18.618 19.000 0.221 0.000 0.810 380 A HN 0.470 nan 8.150 nan 0.000 0.446 381 D N -0.335 120.113 120.400 0.079 0.000 2.097 381 D HA -0.098 4.543 4.640 0.001 0.000 0.197 381 D C 2.032 178.359 176.300 0.047 0.000 0.984 381 D CA 1.159 55.188 54.000 0.049 0.000 0.826 381 D CB -0.235 40.577 40.800 0.020 0.000 0.973 381 D HN 0.394 nan 8.370 nan 0.000 0.460 382 E N 0.587 120.816 120.200 0.048 0.000 2.072 382 E HA -0.100 4.250 4.350 0.001 0.000 0.191 382 E C 2.114 178.750 176.600 0.059 0.000 0.985 382 E CA 0.813 57.244 56.400 0.050 0.000 0.801 382 E CB -0.270 29.462 29.700 0.053 0.000 0.750 382 E HN 0.181 nan 8.360 nan 0.000 0.452 383 A N 1.663 124.525 122.820 0.068 0.000 1.927 383 A HA -0.223 4.097 4.320 0.001 0.000 0.220 383 A C 2.427 180.044 177.584 0.055 0.000 1.185 383 A CA 2.495 54.573 52.037 0.069 0.000 0.639 383 A CB -0.650 18.392 19.000 0.070 0.000 0.820 383 A HN 0.293 nan 8.150 nan 0.000 0.451 384 A N -0.354 122.500 122.820 0.057 0.000 1.898 384 A HA 0.002 4.323 4.320 0.001 0.000 0.216 384 A C 1.990 179.596 177.584 0.037 0.000 1.181 384 A CA 1.512 53.578 52.037 0.048 0.000 0.620 384 A CB -0.485 18.550 19.000 0.058 0.000 0.819 384 A HN 0.391 nan 8.150 nan 0.000 0.442 385 I N 0.298 120.890 120.570 0.035 0.000 2.091 385 I HA -0.242 3.928 4.170 0.001 0.000 0.239 385 I C 2.651 178.783 176.117 0.025 0.000 1.061 385 I CA 1.792 63.109 61.300 0.027 0.000 1.317 385 I CB -1.922 36.094 38.000 0.027 0.000 1.031 385 I HN 0.341 nan 8.210 nan 0.000 0.401 386 G N -0.450 108.368 108.800 0.031 0.000 2.448 386 G HA2 -0.067 3.894 3.960 0.001 0.000 0.218 386 G HA3 -0.067 3.894 3.960 0.001 0.000 0.218 386 G C 1.840 176.750 174.900 0.018 0.000 1.135 386 G CA 0.562 45.676 45.100 0.024 0.000 0.784 386 G HN 0.289 nan 8.290 nan 0.000 0.543 387 V N 1.452 121.379 119.914 0.023 0.000 2.548 387 V HA -0.105 4.016 4.120 0.001 0.000 0.249 387 V C 2.640 178.742 176.094 0.012 0.000 1.055 387 V CA 1.788 64.098 62.300 0.017 0.000 1.065 387 V CB -0.114 31.722 31.823 0.021 0.000 0.681 387 V HN 0.554 nan 8.190 nan 0.000 0.462 388 I N -1.235 119.344 120.570 0.015 0.000 2.852 388 I HA 0.115 4.285 4.170 0.001 0.000 0.264 388 I C 0.915 177.037 176.117 0.008 0.000 1.179 388 I CA 0.395 61.702 61.300 0.011 0.000 1.480 388 I CB -0.879 37.130 38.000 0.014 0.000 1.111 388 I HN 0.225 nan 8.210 nan 0.000 0.441 392 T N 1.793 116.333 114.554 -0.023 0.000 2.856 392 T HA 0.618 4.969 4.350 0.001 0.000 0.292 392 T C -0.614 174.095 174.700 0.014 0.000 0.980 392 T CA -0.215 61.860 62.100 -0.041 0.000 1.091 392 T CB 0.627 69.441 68.868 -0.089 0.000 0.936 392 T HN 0.615 nan 8.240 nan 0.000 0.503 393 T N -0.604 113.986 114.554 0.061 0.000 2.896 393 T HA 0.815 5.165 4.350 0.001 0.000 0.297 393 T C -1.253 173.613 174.700 0.275 0.000 1.108 393 T CA -1.101 61.075 62.100 0.125 0.000 1.004 393 T CB 1.981 70.905 68.868 0.094 0.000 1.159 393 T HN 0.716 nan 8.240 nan 0.000 0.499 394 A N 1.487 124.445 122.820 0.229 0.000 2.509 394 A HA 0.642 4.962 4.320 0.001 0.000 0.282 394 A C -1.094 176.525 177.584 0.058 0.000 1.054 394 A CA -0.722 51.447 52.037 0.220 0.000 0.820 394 A CB 1.102 20.277 19.000 0.293 0.000 1.333 394 A HN 0.969 nan 8.150 nan 0.000 0.409 395 V N 2.478 122.392 119.914 -0.001 0.000 2.417 395 V HA 0.628 4.749 4.120 0.001 0.000 0.291 395 V C 0.358 176.415 176.094 -0.061 0.000 1.024 395 V CA -0.582 61.710 62.300 -0.014 0.000 0.861 395 V CB 1.674 33.498 31.823 0.002 0.000 0.985 395 V HN 0.836 nan 8.190 nan 0.000 0.436 396 R N 5.280 125.751 120.500 -0.048 0.000 2.352 396 R HA 0.497 4.837 4.340 0.001 0.000 0.304 396 R C -1.129 175.152 176.300 -0.031 0.000 1.104 396 R CA -0.489 55.578 56.100 -0.055 0.000 0.991 396 R CB 0.649 30.910 30.300 -0.066 0.000 1.140 396 R HN 0.667 nan 8.270 nan 0.000 0.540 397 I N 5.704 126.260 120.570 -0.023 0.000 2.342 397 I HA 0.248 4.418 4.170 0.001 0.000 0.291 397 I C 0.171 176.280 176.117 -0.012 0.000 1.010 397 I CA -0.740 60.553 61.300 -0.012 0.000 1.308 397 I CB 1.334 39.331 38.000 -0.005 0.000 1.400 397 I HN 0.423 nan 8.210 nan 0.000 0.488 398 I N 8.599 129.163 120.570 -0.010 0.000 2.347 398 I HA 0.290 4.460 4.170 0.001 0.000 0.283 398 I C -2.336 173.779 176.117 -0.003 0.000 1.058 398 I CA -2.708 58.588 61.300 -0.007 0.000 1.202 398 I CB 0.714 38.709 38.000 -0.007 0.000 1.386 398 I HN 0.205 nan 8.210 nan 0.000 0.475 399 P HA 0.333 nan 4.420 nan 0.000 0.251 399 P C -0.589 176.712 177.300 0.002 0.000 1.718 399 P CA -0.194 62.907 63.100 0.001 0.000 1.119 399 P CB 0.424 32.126 31.700 0.003 0.000 1.762 400 K N 1.672 122.073 120.400 0.001 0.000 2.435 400 K HA 0.656 4.977 4.320 0.001 0.000 0.251 400 K C 0.559 177.160 176.600 0.002 0.000 0.954 400 K CA -0.674 55.614 56.287 0.002 0.000 0.820 400 K CB 2.612 35.114 32.500 0.002 0.000 1.292 400 K HN 0.467 nan 8.250 nan 0.000 0.436 401 G N 1.998 110.799 108.800 0.002 0.000 2.598 401 G HA2 -0.295 3.665 3.960 0.001 0.000 0.269 401 G HA3 -0.295 3.665 3.960 0.001 0.000 0.269 401 G C -0.778 174.124 174.900 0.002 0.000 1.289 401 G CA -0.193 44.908 45.100 0.002 0.000 0.926 401 G HN 0.519 nan 8.290 nan 0.000 0.567 402 K N -0.027 120.374 120.400 0.002 0.000 2.295 402 K HA 0.440 4.760 4.320 0.001 0.000 0.239 402 K C 1.090 177.691 176.600 0.001 0.000 0.991 402 K CA -0.167 56.121 56.287 0.002 0.000 0.845 402 K CB 2.014 34.515 32.500 0.002 0.000 1.197 402 K HN 0.683 nan 8.250 nan 0.000 0.441 403 E N 0.914 121.115 120.200 0.001 0.000 2.435 403 E HA -0.295 4.055 4.350 0.001 0.000 0.242 403 E C 1.092 177.692 176.600 0.001 0.000 1.125 403 E CA 2.694 59.094 56.400 0.001 0.000 1.067 403 E CB -0.261 29.439 29.700 0.001 0.000 0.903 403 E HN 0.859 nan 8.360 nan 0.000 0.466 404 G N -1.278 107.523 108.800 0.001 0.000 3.274 404 G HA2 0.111 4.071 3.960 0.001 0.000 0.250 404 G HA3 0.111 4.071 3.960 0.001 0.000 0.250 404 G C -0.300 174.601 174.900 0.001 0.000 1.024 404 G CA 0.109 45.209 45.100 0.001 0.000 0.840 404 G HN 0.177 nan 8.290 nan 0.000 0.522 408 E N 2.454 122.658 120.200 0.007 0.000 1.833 408 E HA 0.582 4.933 4.350 0.001 0.000 0.258 408 E C 0.602 177.209 176.600 0.013 0.000 1.257 408 E CA 0.358 56.764 56.400 0.009 0.000 1.003 408 E CB -1.224 28.482 29.700 0.009 0.000 1.068 408 E HN 1.888 nan 8.360 nan 0.000 0.422 416 A N -0.404 122.418 122.820 0.004 0.000 2.032 416 A HA 0.862 5.182 4.320 0.001 0.000 0.169 416 A C -2.498 175.087 177.584 0.001 0.000 1.369 416 A CA 0.663 52.702 52.037 0.003 0.000 2.498 416 A CB -0.631 18.370 19.000 0.003 0.000 2.850 416 A HN 0.834 nan 8.150 nan 0.000 1.174 417 P HA 0.568 nan 4.420 nan 0.000 0.279 417 P C -0.390 176.910 177.300 -0.000 0.000 1.252 417 P CA -0.171 62.929 63.100 0.001 0.000 0.811 417 P CB 1.167 32.867 31.700 0.000 0.000 1.035 421 V N 2.830 122.743 119.914 -0.002 0.000 2.577 421 V HA 0.446 4.566 4.120 0.001 0.000 0.303 421 V C -0.214 175.877 176.094 -0.004 0.000 1.042 421 V CA -1.237 61.062 62.300 -0.003 0.000 0.872 421 V CB 1.784 33.607 31.823 -0.000 0.000 0.998 421 V HN 0.952 nan 8.190 nan 0.000 0.423 422 N N 3.039 121.735 118.700 -0.007 0.000 2.356 422 N HA 0.030 4.770 4.740 0.001 0.000 0.252 422 N C 0.952 176.457 175.510 -0.008 0.000 1.241 422 N CA 1.080 54.124 53.050 -0.010 0.000 0.861 422 N CB 1.780 40.257 38.487 -0.017 0.000 1.075 422 N HN 0.904 nan 8.380 nan 0.000 0.461 423 G N 1.178 109.974 108.800 -0.007 0.000 3.277 423 G HA2 0.286 4.247 3.960 0.001 0.000 0.243 423 G HA3 0.286 4.247 3.960 0.001 0.000 0.243 423 G C 0.198 175.095 174.900 -0.005 0.000 1.107 423 G CA -0.010 45.087 45.100 -0.004 0.000 0.771 423 G HN 0.743 nan 8.290 nan 0.000 0.544 424 A N 0.672 123.486 122.820 -0.010 0.000 2.454 424 A HA 0.591 4.911 4.320 0.001 0.000 0.260 424 A C 0.836 178.413 177.584 -0.012 0.000 1.106 424 A CA -0.048 51.982 52.037 -0.013 0.000 0.780 424 A CB 0.428 19.415 19.000 -0.020 0.000 1.044 424 A HN 0.315 nan 8.150 nan 0.000 0.498 425 S N 1.708 117.406 115.700 -0.004 0.000 2.573 425 S HA 0.211 4.682 4.470 0.001 0.000 0.277 425 S C 1.044 175.646 174.600 0.004 0.000 1.346 425 S CA 0.210 58.413 58.200 0.006 0.000 1.034 425 S CB 0.375 63.583 63.200 0.013 0.000 0.879 425 S HN 0.724 nan 8.310 nan 0.000 0.528 426 S N 2.605 118.318 115.700 0.023 0.000 2.701 426 S HA 0.099 4.570 4.470 0.001 0.000 0.242 426 S C 1.626 176.290 174.600 0.107 0.000 1.025 426 S CA -0.306 57.920 58.200 0.043 0.000 1.016 426 S CB 0.316 63.537 63.200 0.035 0.000 0.977 426 S HN 0.554 nan 8.310 nan 0.000 0.546 427 V N 2.534 122.493 119.914 0.074 0.000 2.317 427 V HA -0.266 3.854 4.120 0.001 0.000 0.251 427 V C 2.083 178.232 176.094 0.093 0.000 1.065 427 V CA 2.106 64.450 62.300 0.073 0.000 1.049 427 V CB -0.447 31.403 31.823 0.046 0.000 0.651 427 V HN 0.422 nan 8.190 nan 0.000 0.450 428 D N -1.191 119.271 120.400 0.103 0.000 2.149 428 D HA -0.100 4.541 4.640 0.001 0.000 0.201 428 D C 1.859 178.239 176.300 0.133 0.000 0.972 428 D CA 0.896 54.954 54.000 0.096 0.000 0.835 428 D CB -0.228 40.618 40.800 0.076 0.000 0.966 428 D HN 0.434 nan 8.370 nan 0.000 0.476 429 F N 1.827 121.777 119.950 0.001 0.000 2.043 429 F HA -0.228 4.299 4.527 0.000 0.000 0.297 429 F C 2.110 177.910 175.800 -0.001 0.000 1.121 429 F CA 1.283 59.283 58.000 -0.000 0.000 1.199 429 F CB -0.176 38.824 39.000 0.001 0.000 0.968 429 F HN -0.138 nan 8.300 nan 0.000 0.478 430 I N -0.375 120.298 120.570 0.172 0.000 2.454 430 I HA -0.238 3.932 4.170 0.001 0.000 0.254 430 I C 2.462 178.560 176.117 -0.032 0.000 1.156 430 I CA 1.204 62.524 61.300 0.034 0.000 1.433 430 I CB -1.676 36.388 38.000 0.107 0.000 1.082 430 I HN 0.178 nan 8.210 nan 0.000 0.432 431 S N 0.468 116.165 115.700 -0.006 0.000 2.402 431 S HA -0.091 4.379 4.470 0.001 0.000 0.229 431 S C 2.007 176.577 174.600 -0.050 0.000 1.021 431 S CA 0.672 58.862 58.200 -0.017 0.000 0.974 431 S CB -0.068 63.135 63.200 0.004 0.000 0.800 431 S HN 0.410 nan 8.310 nan 0.000 0.484 432 R N 0.796 121.244 120.500 -0.087 0.000 2.119 432 R HA -0.058 4.283 4.340 0.001 0.000 0.246 432 R C 1.558 177.796 176.300 -0.103 0.000 1.146 432 R CA 0.801 56.839 56.100 -0.104 0.000 0.962 432 R CB -0.990 29.214 30.300 -0.160 0.000 0.863 432 R HN 0.479 nan 8.270 nan 0.000 0.442 433 G N -0.410 108.315 108.800 -0.125 0.000 2.752 433 G HA2 -0.005 3.955 3.960 0.001 0.000 0.234 433 G HA3 -0.005 3.955 3.960 0.001 0.000 0.234 433 G C 0.304 175.132 174.900 -0.121 0.000 1.367 433 G CA -0.066 44.967 45.100 -0.111 0.000 0.879 433 G HN 0.838 nan 8.290 nan 0.000 0.563 434 G N -1.606 107.125 108.800 -0.114 0.000 2.545 434 G HA2 0.348 4.308 3.960 0.001 0.000 0.216 434 G HA3 0.348 4.308 3.960 0.001 0.000 0.216 434 G C -0.289 174.540 174.900 -0.119 0.000 1.314 434 G CA 1.122 46.156 45.100 -0.110 0.000 0.906 434 G HN 2.016 nan 8.290 nan 0.000 0.563 435 Q N -0.535 119.205 119.800 -0.099 0.000 2.340 435 Q HA 0.744 5.085 4.340 0.001 0.000 0.268 435 Q C -0.168 175.788 176.000 -0.073 0.000 1.031 435 Q CA -0.646 55.104 55.803 -0.088 0.000 0.804 435 Q CB 1.295 29.988 28.738 -0.075 0.000 1.286 435 Q HN 0.637 nan 8.270 nan 0.000 0.448 436 I N 6.572 127.103 120.570 -0.065 0.000 2.365 436 I HA 0.372 4.543 4.170 0.001 0.000 0.291 436 I C -1.926 174.173 176.117 -0.031 0.000 1.004 436 I CA -2.170 59.103 61.300 -0.045 0.000 1.311 436 I CB 1.341 39.321 38.000 -0.033 0.000 1.401 436 I HN 0.599 nan 8.210 nan 0.000 0.491 437 P HA 0.353 nan 4.420 nan 0.000 0.286 437 P C -0.030 177.263 177.300 -0.011 0.000 1.293 437 P CA 0.181 63.270 63.100 -0.018 0.000 0.770 437 P CB 0.575 32.265 31.700 -0.016 0.000 1.206 438 A N -2.208 120.606 122.820 -0.010 0.000 5.553 438 A HA -0.111 4.209 4.320 0.001 0.000 0.268 438 A C -2.217 175.365 177.584 -0.004 0.000 2.171 438 A CA 0.297 52.331 52.037 -0.006 0.000 0.714 438 A CB -3.192 15.806 19.000 -0.003 0.000 1.097 438 A HN 0.583 nan 8.150 nan 0.000 0.349 439 P HA 0.546 nan 4.420 nan 0.000 0.275 439 P C 0.760 178.061 177.300 0.000 0.000 1.266 439 P CA 0.612 63.713 63.100 0.002 0.000 0.793 439 P CB -0.094 31.609 31.700 0.005 0.000 1.074 440 I N 0.000 120.571 120.570 0.001 0.000 2.984 440 I HA 0.000 4.170 4.170 0.001 0.000 0.288 440 I CA 0.000 61.300 61.300 -0.000 0.000 1.566 440 I CB 0.000 38.000 38.000 0.000 0.000 1.214 440 I HN 0.000 nan 8.210 nan 0.000 0.494