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 2qae_1_A DATA FIRST_RESID 1 DATA SEQUENCE NPYDVVVIGG GPGGYVASIK AAQLGMKTAC VEKRGALGGT cLNVGcIPSK DATA SEQUENCE ALLHATHLYH DAHANFARYG LMGGEGVTMD SAKMQQQKER AVKGLTGGVE DATA SEQUENCE YLFKKNKVTY YKGEGSFETA HSIRVNGLDG KQEMLETKKT IIATGSEPTE DATA SEQUENCE LPFLPFDEKV VLSSTGALAL PRVPKTMVVI GGGVIGLELG SVWARLGAEV DATA SEQUENCE TVVEFAPRCA PTLDEDVTNA LVGALAKNEK MKFMTSTKVV GGTNNGDSVS DATA SEQUENCE LEVEGXXXKR ETVTCEALLV SVGRRPFTGG LGLDKINVAK NERGFVKIGD DATA SEQUENCE HFETSIPDVY AIGDVVDKGP MLAHKAEDEG VACAEILAGK PGHVNYGVIP DATA SEQUENCE AVIYTMPEVA SVGKSEDELK KEGVAYKVGK FPFNANSRAK AVSTEDGFVK DATA SEQUENCE VLVDKATDRI LGVHIVCTTA GELIGEACLA MEYGASSEDV GRTCHAHPTM DATA SEQUENCE SEALKEACMA LFAKTINF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 N HA 0.000 nan 4.740 nan 0.000 0.220 1 N C 0.000 175.388 175.510 -0.204 0.000 1.280 1 N CA 0.000 52.960 53.050 -0.150 0.000 0.885 1 N CB 0.000 38.254 38.487 -0.388 0.000 1.341 2 P HA 0.484 nan 4.420 nan 0.000 0.289 2 P C -1.395 175.726 177.300 -0.297 0.000 1.293 2 P CA -0.141 62.863 63.100 -0.160 0.000 0.897 2 P CB 1.432 33.104 31.700 -0.047 0.000 1.166 3 Y N -0.516 119.807 120.300 0.038 0.000 2.496 3 Y HA 0.201 4.751 4.550 0.000 0.000 0.331 3 Y C 1.624 177.547 175.900 0.038 0.000 1.140 3 Y CA -0.316 57.807 58.100 0.037 0.000 1.166 3 Y CB 1.220 39.705 38.460 0.041 0.000 1.249 3 Y HN 0.291 nan 8.280 nan 0.000 0.479 4 D N 0.225 120.745 120.400 0.200 0.000 2.183 4 D HA 0.052 4.692 4.640 0.000 0.000 0.205 4 D C -0.451 175.925 176.300 0.126 0.000 0.962 4 D CA 1.275 55.349 54.000 0.123 0.000 0.849 4 D CB 0.474 41.321 40.800 0.078 0.000 0.978 4 D HN 0.135 nan 8.370 nan 0.000 0.488 5 V N 0.833 120.825 119.914 0.131 0.000 2.808 5 V HA 0.346 4.467 4.120 0.000 0.000 0.308 5 V C -0.430 175.675 176.094 0.018 0.000 1.099 5 V CA -0.853 61.487 62.300 0.067 0.000 0.920 5 V CB 2.961 34.791 31.823 0.012 0.000 1.014 5 V HN -0.297 nan 8.190 nan 0.000 0.425 6 V N 4.496 124.407 119.914 -0.004 0.000 2.487 6 V HA 0.557 4.677 4.120 0.000 0.000 0.298 6 V C -0.447 175.617 176.094 -0.051 0.000 1.028 6 V CA -0.601 61.644 62.300 -0.091 0.000 0.860 6 V CB 2.154 33.902 31.823 -0.125 0.000 0.991 6 V HN 0.631 nan 8.190 nan 0.000 0.427 7 V N 6.320 126.199 119.914 -0.058 0.000 2.417 7 V HA 0.495 4.616 4.120 0.000 0.000 0.291 7 V C -0.136 175.956 176.094 -0.004 0.000 1.024 7 V CA -0.419 61.874 62.300 -0.012 0.000 0.861 7 V CB 1.749 33.572 31.823 -0.001 0.000 0.985 7 V HN 0.675 nan 8.190 nan 0.000 0.436 8 I N 4.730 125.300 120.570 0.000 0.000 2.306 8 I HA 0.722 4.892 4.170 0.000 0.000 0.288 8 I C 0.662 176.813 176.117 0.057 0.000 1.036 8 I CA 0.002 61.301 61.300 -0.001 0.000 1.221 8 I CB 1.143 39.098 38.000 -0.074 0.000 1.385 8 I HN 0.870 nan 8.210 nan 0.000 0.472 9 G N 3.513 112.365 108.800 0.086 0.000 3.014 9 G HA2 0.073 4.033 3.960 0.000 0.000 0.683 9 G HA3 0.073 4.033 3.960 0.000 0.000 0.683 9 G C -0.059 174.913 174.900 0.121 0.000 1.271 9 G CA -0.481 44.681 45.100 0.103 0.000 0.843 9 G HN 0.867 nan 8.290 nan 0.000 0.612 10 G N 0.363 109.235 108.800 0.119 0.000 3.805 10 G HA2 0.652 4.612 3.960 0.000 0.000 0.290 10 G HA3 0.652 4.612 3.960 0.000 0.000 0.290 10 G C 0.919 175.906 174.900 0.144 0.000 1.077 10 G CA 1.016 46.195 45.100 0.132 0.000 0.852 10 G HN 1.294 nan 8.290 nan 0.000 0.531 11 G N 0.608 109.485 108.800 0.128 0.000 2.553 11 G HA2 0.405 4.365 3.960 0.000 0.000 0.278 11 G HA3 0.405 4.365 3.960 0.000 0.000 0.278 11 G C -0.914 174.086 174.900 0.166 0.000 1.349 11 G CA -0.816 44.365 45.100 0.135 0.000 1.037 11 G HN -0.039 nan 8.290 nan 0.000 0.508 12 P HA -0.131 nan 4.420 nan 0.000 0.217 12 P C 1.950 179.092 177.300 -0.265 0.000 1.151 12 P CA 1.973 64.986 63.100 -0.146 0.000 0.849 12 P CB -0.010 31.657 31.700 -0.055 0.000 0.787 13 G N -0.576 108.156 108.800 -0.112 0.000 2.434 13 G HA2 -0.163 3.797 3.960 0.000 0.000 0.214 13 G HA3 -0.163 3.797 3.960 0.000 0.000 0.214 13 G C 1.823 176.663 174.900 -0.101 0.000 1.202 13 G CA 0.913 45.947 45.100 -0.111 0.000 0.788 13 G HN 0.353 nan 8.290 nan 0.000 0.539 14 G N 0.253 109.046 108.800 -0.012 0.000 2.402 14 G HA2 -0.188 3.772 3.960 0.000 0.000 0.216 14 G HA3 -0.188 3.772 3.960 0.000 0.000 0.216 14 G C 1.715 176.688 174.900 0.121 0.000 1.162 14 G CA 1.287 46.416 45.100 0.047 0.000 0.777 14 G HN 0.659 nan 8.290 nan 0.000 0.539 15 Y N 0.321 120.672 120.300 0.086 0.000 2.293 15 Y HA 0.082 4.632 4.550 0.000 0.000 0.291 15 Y C 2.356 178.348 175.900 0.153 0.000 1.137 15 Y CA 0.988 59.198 58.100 0.184 0.000 1.202 15 Y CB -0.343 38.095 38.460 -0.037 0.000 0.990 15 Y HN -0.001 nan 8.280 nan 0.000 0.537 16 V N 1.278 120.935 119.914 -0.428 0.000 2.453 16 V HA -0.192 3.928 4.120 0.000 0.000 0.247 16 V C 2.852 178.874 176.094 -0.120 0.000 1.048 16 V CA 1.542 63.650 62.300 -0.320 0.000 1.049 16 V CB -1.128 30.431 31.823 -0.439 0.000 0.672 16 V HN 0.631 nan 8.190 nan 0.000 0.457 17 A N -0.371 122.381 122.820 -0.113 0.000 1.933 17 A HA -0.193 4.127 4.320 0.000 0.000 0.218 17 A C 2.488 180.039 177.584 -0.055 0.000 1.175 17 A CA 2.201 54.183 52.037 -0.092 0.000 0.628 17 A CB -0.612 18.331 19.000 -0.095 0.000 0.814 17 A HN 0.497 nan 8.150 nan 0.000 0.444 18 S N -0.227 115.464 115.700 -0.015 0.000 2.356 18 S HA -0.097 4.373 4.470 0.000 0.000 0.223 18 S C 1.823 176.376 174.600 -0.078 0.000 1.032 18 S CA 1.477 59.633 58.200 -0.074 0.000 1.005 18 S CB -0.443 62.674 63.200 -0.138 0.000 0.867 18 S HN 0.547 nan 8.310 nan 0.000 0.449 19 I N 1.048 121.640 120.570 0.036 0.000 2.252 19 I HA -0.165 4.005 4.170 0.000 0.000 0.245 19 I C 2.496 178.612 176.117 -0.001 0.000 1.102 19 I CA 1.105 62.432 61.300 0.045 0.000 1.385 19 I CB -0.202 37.889 38.000 0.152 0.000 1.064 19 I HN 0.162 nan 8.210 nan 0.000 0.414 20 K N 1.567 121.958 120.400 -0.015 0.000 2.057 20 K HA -0.102 4.218 4.320 0.000 0.000 0.207 20 K C 2.039 178.618 176.600 -0.035 0.000 1.049 20 K CA 1.703 57.972 56.287 -0.030 0.000 0.931 20 K CB -0.412 32.058 32.500 -0.049 0.000 0.714 20 K HN 0.268 nan 8.250 nan 0.000 0.440 21 A N 0.503 123.295 122.820 -0.047 0.000 1.902 21 A HA -0.065 4.255 4.320 0.000 0.000 0.217 21 A C 2.377 179.940 177.584 -0.035 0.000 1.181 21 A CA 2.088 54.098 52.037 -0.045 0.000 0.623 21 A CB -1.106 17.861 19.000 -0.054 0.000 0.818 21 A HN 0.411 nan 8.150 nan 0.000 0.443 22 A N -0.815 121.978 122.820 -0.045 0.000 1.902 22 A HA -0.220 4.101 4.320 0.000 0.000 0.217 22 A C 2.123 179.691 177.584 -0.026 0.000 1.181 22 A CA 1.691 53.703 52.037 -0.041 0.000 0.623 22 A CB -0.563 18.396 19.000 -0.068 0.000 0.818 22 A HN 0.659 nan 8.150 nan 0.000 0.443 23 Q N -0.597 119.190 119.800 -0.021 0.000 2.119 23 Q HA 0.014 4.354 4.340 0.000 0.000 0.201 23 Q C 1.645 177.639 176.000 -0.010 0.000 0.972 23 Q CA 1.005 56.800 55.803 -0.012 0.000 0.847 23 Q CB -0.234 28.500 28.738 -0.007 0.000 0.903 23 Q HN 0.650 nan 8.270 nan 0.000 0.433 24 L N -0.686 120.529 121.223 -0.013 0.000 2.610 24 L HA 0.041 4.381 4.340 0.000 0.000 0.232 24 L C 1.107 177.973 176.870 -0.007 0.000 1.149 24 L CA 0.590 55.424 54.840 -0.010 0.000 0.872 24 L CB -0.152 41.899 42.059 -0.013 0.000 0.992 24 L HN 0.485 nan 8.230 nan 0.000 0.447 25 G N -0.571 108.224 108.800 -0.007 0.000 2.179 25 G HA2 -0.258 3.702 3.960 0.000 0.000 0.220 25 G HA3 -0.258 3.702 3.960 0.000 0.000 0.220 25 G C 0.287 175.188 174.900 0.000 0.000 0.990 25 G CA -0.329 44.769 45.100 -0.004 0.000 0.646 25 G HN 0.222 nan 8.290 nan 0.000 0.517 26 M N 0.702 120.302 119.600 0.000 0.000 2.211 26 M HA 0.328 4.809 4.480 0.000 0.000 0.356 26 M C 0.594 176.912 176.300 0.029 0.000 1.216 26 M CA -0.212 55.095 55.300 0.013 0.000 1.134 26 M CB 1.189 33.794 32.600 0.008 0.000 1.564 26 M HN 0.133 nan 8.290 nan 0.000 0.463 27 K N 2.615 123.049 120.400 0.057 0.000 2.363 27 K HA 0.163 4.483 4.320 0.000 0.000 0.289 27 K C -1.091 175.634 176.600 0.209 0.000 1.063 27 K CA 0.244 56.596 56.287 0.107 0.000 0.967 27 K CB 0.372 32.913 32.500 0.069 0.000 0.987 27 K HN 0.614 nan 8.250 nan 0.000 0.473 28 T N 2.344 116.988 114.554 0.150 0.000 2.856 28 T HA 0.661 5.011 4.350 0.000 0.000 0.283 28 T C -1.086 173.570 174.700 -0.074 0.000 1.008 28 T CA -0.799 61.325 62.100 0.039 0.000 0.997 28 T CB 1.785 70.614 68.868 -0.066 0.000 0.992 28 T HN 0.630 nan 8.240 nan 0.000 0.454 29 A N 0.943 123.606 122.820 -0.262 0.000 2.435 29 A HA 0.770 5.090 4.320 0.000 0.000 0.304 29 A C -0.721 176.756 177.584 -0.178 0.000 1.064 29 A CA -0.763 51.075 52.037 -0.331 0.000 0.727 29 A CB 1.344 19.892 19.000 -0.753 0.000 1.284 29 A HN 0.989 nan 8.150 nan 0.000 0.415 30 C N 2.169 121.440 119.300 -0.050 0.000 2.396 30 C HA 0.737 5.197 4.460 0.000 0.000 0.321 30 C C -0.888 174.247 174.990 0.242 0.000 1.233 30 C CA -0.258 58.795 59.018 0.059 0.000 1.440 30 C CB 0.158 27.931 27.740 0.054 0.000 2.110 30 C HN 0.737 nan 8.230 nan 0.000 0.473 31 V N 5.416 125.429 119.914 0.165 0.000 2.398 31 V HA 0.655 4.776 4.120 0.000 0.000 0.286 31 V C -0.400 175.809 176.094 0.192 0.000 1.026 31 V CA -0.053 62.356 62.300 0.182 0.000 0.868 31 V CB 1.469 33.302 31.823 0.017 0.000 0.982 31 V HN 0.884 nan 8.190 nan 0.000 0.443 32 E N 3.831 124.188 120.200 0.262 0.000 2.278 32 E HA 0.395 4.745 4.350 0.000 0.000 0.272 32 E C 0.326 177.030 176.600 0.173 0.000 0.890 32 E CA -0.687 55.846 56.400 0.221 0.000 0.770 32 E CB 1.873 31.741 29.700 0.280 0.000 1.212 32 E HN 0.606 nan 8.360 nan 0.000 0.415 33 K N 4.326 124.791 120.400 0.108 0.000 2.361 33 K HA 0.115 4.435 4.320 0.000 0.000 0.196 33 K C 1.643 178.273 176.600 0.050 0.000 1.039 33 K CA 0.023 56.352 56.287 0.071 0.000 1.001 33 K CB 0.236 32.773 32.500 0.061 0.000 0.795 33 K HN 0.383 nan 8.250 nan 0.000 0.495 34 R N 0.868 121.397 120.500 0.049 0.000 2.120 34 R HA -0.104 4.236 4.340 0.000 0.000 0.234 34 R C 0.929 177.246 176.300 0.028 0.000 1.123 34 R CA 1.831 57.944 56.100 0.021 0.000 0.975 34 R CB -0.235 30.069 30.300 0.006 0.000 0.866 34 R HN 0.555 nan 8.270 nan 0.000 0.446 35 G N -1.654 107.184 108.800 0.062 0.000 2.184 35 G HA2 -0.150 3.810 3.960 0.000 0.000 0.206 35 G HA3 -0.150 3.810 3.960 0.000 0.000 0.206 35 G C -0.147 174.799 174.900 0.077 0.000 0.995 35 G CA -0.022 45.110 45.100 0.052 0.000 0.651 35 G HN 0.750 nan 8.290 nan 0.000 0.511 36 A N -0.589 122.277 122.820 0.077 0.000 2.604 36 A HA 0.816 5.136 4.320 0.000 0.000 0.295 36 A C -0.350 177.215 177.584 -0.032 0.000 1.067 36 A CA -0.560 51.494 52.037 0.028 0.000 0.683 36 A CB 1.042 20.028 19.000 -0.023 0.000 1.281 36 A HN 0.754 nan 8.150 nan 0.000 0.407 37 L N 0.643 121.762 121.223 -0.174 0.000 2.469 37 L HA 0.657 4.998 4.340 0.000 0.000 0.253 37 L C 1.564 178.281 176.870 -0.255 0.000 1.143 37 L CA 0.765 55.419 54.840 -0.311 0.000 0.804 37 L CB 0.995 42.653 42.059 -0.668 0.000 1.214 37 L HN 1.557 nan 8.230 nan 0.000 0.476 38 G N -0.546 108.119 108.800 -0.224 0.000 2.238 38 G HA2 -0.045 3.915 3.960 0.000 0.000 0.217 38 G HA3 -0.045 3.915 3.960 0.000 0.000 0.217 38 G C 0.644 175.548 174.900 0.006 0.000 0.996 38 G CA -0.051 44.977 45.100 -0.120 0.000 0.632 38 G HN 1.401 nan 8.290 nan 0.000 0.503 39 G N -0.670 108.128 108.800 -0.004 0.000 2.578 39 G HA2 -0.117 3.843 3.960 0.000 0.000 0.275 39 G HA3 -0.117 3.843 3.960 0.000 0.000 0.275 39 G C 1.075 175.967 174.900 -0.012 0.000 1.271 39 G CA 1.430 46.535 45.100 0.009 0.000 0.941 39 G HN 1.317 nan 8.290 nan 0.000 0.564 40 T N -0.414 114.133 114.554 -0.011 0.000 2.708 40 T HA -0.197 4.153 4.350 0.000 0.000 0.266 40 T C 2.455 177.144 174.700 -0.019 0.000 1.037 40 T CA 2.478 64.563 62.100 -0.026 0.000 1.146 40 T CB -0.700 68.154 68.868 -0.023 0.000 0.865 40 T HN 0.964 nan 8.240 nan 0.000 0.435 41 c N 1.079 119.679 118.600 0.001 0.000 2.413 41 c HA -0.073 4.497 4.570 0.000 0.000 0.278 41 c C 2.532 176.614 174.090 -0.013 0.000 1.224 41 c CA 0.721 57.052 56.329 0.003 0.000 1.732 41 c CB -1.357 41.170 42.510 0.030 0.000 2.050 41 c HN 0.413 nan 8.230 nan 0.000 0.463 42 L N 1.194 122.410 121.223 -0.012 0.000 2.109 42 L HA 0.015 4.355 4.340 0.000 0.000 0.207 42 L C 2.115 178.955 176.870 -0.052 0.000 1.086 42 L CA 2.026 56.842 54.840 -0.039 0.000 0.760 42 L CB -0.932 41.088 42.059 -0.065 0.000 0.910 42 L HN 0.464 nan 8.230 nan 0.000 0.437 43 N N -1.450 117.221 118.700 -0.048 0.000 2.305 43 N HA -0.017 4.723 4.740 0.000 0.000 0.179 43 N C 0.857 176.339 175.510 -0.046 0.000 1.019 43 N CA 1.214 54.233 53.050 -0.050 0.000 0.869 43 N CB 0.429 38.886 38.487 -0.051 0.000 1.000 43 N HN 0.225 nan 8.380 nan 0.000 0.431 44 V N -4.059 115.827 119.914 -0.046 0.000 3.157 44 V HA 0.691 4.812 4.120 0.000 0.000 0.361 44 V C 0.379 176.448 176.094 -0.041 0.000 1.421 44 V CA -0.128 62.145 62.300 -0.046 0.000 1.213 44 V CB 0.422 32.208 31.823 -0.061 0.000 1.164 44 V HN 0.183 nan 8.190 nan 0.000 0.559 45 G N -0.156 108.622 108.800 -0.037 0.000 3.088 45 G HA2 0.168 4.128 3.960 0.000 0.000 0.197 45 G HA3 0.168 4.128 3.960 0.000 0.000 0.197 45 G C 1.006 175.881 174.900 -0.042 0.000 1.611 45 G CA 0.771 45.853 45.100 -0.030 0.000 0.771 45 G HN 0.245 nan 8.290 nan 0.000 0.789 46 c N 1.161 119.736 118.600 -0.042 0.000 2.367 46 c HA -0.084 4.486 4.570 0.000 0.000 0.276 46 c C 2.797 176.815 174.090 -0.119 0.000 1.195 46 c CA 0.692 56.974 56.329 -0.079 0.000 1.756 46 c CB -1.164 41.313 42.510 -0.054 0.000 2.046 46 c HN 0.405 nan 8.230 nan 0.000 0.453 47 I N 2.046 122.563 120.570 -0.088 0.000 2.133 47 I HA -0.076 4.094 4.170 0.000 0.000 0.238 47 I C 0.066 176.130 176.117 -0.088 0.000 1.074 47 I CA 1.470 62.714 61.300 -0.094 0.000 1.342 47 I CB -2.868 35.089 38.000 -0.072 0.000 1.053 47 I HN 0.241 nan 8.210 nan 0.000 0.404 48 P HA -0.102 nan 4.420 nan 0.000 0.218 48 P C 1.876 179.136 177.300 -0.067 0.000 1.149 48 P CA 1.892 64.957 63.100 -0.057 0.000 0.817 48 P CB -0.101 31.575 31.700 -0.040 0.000 0.785 49 S N 0.225 115.881 115.700 -0.074 0.000 2.355 49 S HA -0.116 4.354 4.470 0.000 0.000 0.222 49 S C 2.027 176.564 174.600 -0.106 0.000 1.031 49 S CA 1.085 59.237 58.200 -0.080 0.000 0.993 49 S CB -0.912 62.252 63.200 -0.060 0.000 0.859 49 S HN -0.020 nan 8.310 nan 0.000 0.453 50 K N 2.011 122.318 120.400 -0.156 0.000 2.148 50 K HA 0.295 4.616 4.320 0.000 0.000 0.204 50 K C 2.302 178.856 176.600 -0.077 0.000 1.050 50 K CA 1.075 57.255 56.287 -0.178 0.000 0.942 50 K CB -0.838 31.468 32.500 -0.323 0.000 0.724 50 K HN 0.510 nan 8.250 nan 0.000 0.446 51 A N 0.513 123.290 122.820 -0.072 0.000 1.898 51 A HA -0.107 4.213 4.320 0.000 0.000 0.216 51 A C 2.041 179.620 177.584 -0.008 0.000 1.181 51 A CA 1.243 53.263 52.037 -0.028 0.000 0.620 51 A CB -0.570 18.404 19.000 -0.042 0.000 0.819 51 A HN 0.193 nan 8.150 nan 0.000 0.442 52 L N -0.819 120.365 121.223 -0.065 0.000 2.109 52 L HA -0.098 4.242 4.340 0.000 0.000 0.207 52 L C 2.504 179.306 176.870 -0.112 0.000 1.086 52 L CA 0.691 55.456 54.840 -0.125 0.000 0.760 52 L CB -0.506 41.423 42.059 -0.215 0.000 0.910 52 L HN 0.356 nan 8.230 nan 0.000 0.437 53 L N -0.937 120.245 121.223 -0.068 0.000 2.083 53 L HA -0.262 4.078 4.340 0.000 0.000 0.209 53 L C 2.744 179.647 176.870 0.056 0.000 1.083 53 L CA 1.175 56.000 54.840 -0.025 0.000 0.752 53 L CB -0.693 41.366 42.059 0.001 0.000 0.899 53 L HN 0.382 nan 8.230 nan 0.000 0.433 54 H N -0.008 119.062 119.070 -0.000 0.000 2.299 54 H HA -0.162 4.394 4.556 0.000 0.000 0.302 54 H C 2.143 177.514 175.328 0.072 0.000 1.078 54 H CA 1.585 57.668 56.048 0.058 0.000 1.323 54 H CB 0.348 30.126 29.762 0.027 0.000 1.381 54 H HN 0.342 nan 8.280 nan 0.000 0.498 55 A N 0.326 123.143 122.820 -0.005 0.000 1.902 55 A HA -0.185 4.135 4.320 0.000 0.000 0.217 55 A C 2.646 180.195 177.584 -0.058 0.000 1.181 55 A CA 2.554 54.558 52.037 -0.055 0.000 0.623 55 A CB -1.137 17.848 19.000 -0.026 0.000 0.818 55 A HN 0.702 nan 8.150 nan 0.000 0.443 56 T N -3.234 111.286 114.554 -0.058 0.000 2.951 56 T HA -0.165 4.186 4.350 0.000 0.000 0.268 56 T C 1.812 176.569 174.700 0.093 0.000 1.073 56 T CA 1.472 63.559 62.100 -0.021 0.000 1.134 56 T CB -0.672 68.121 68.868 -0.125 0.000 0.884 56 T HN 0.701 nan 8.240 nan 0.000 0.479 57 H N 1.183 120.231 119.070 -0.036 0.000 2.389 57 H HA 0.075 4.631 4.556 0.000 0.000 0.299 57 H C 2.097 177.425 175.328 0.000 0.000 1.081 57 H CA 1.112 57.159 56.048 -0.003 0.000 1.345 57 H CB -0.176 29.560 29.762 -0.043 0.000 1.393 57 H HN 0.348 nan 8.280 nan 0.000 0.520 58 L N -0.046 121.015 121.223 -0.271 0.000 2.046 58 L HA -0.226 4.114 4.340 0.000 0.000 0.208 58 L C 2.641 179.388 176.870 -0.204 0.000 1.077 58 L CA 1.500 56.157 54.840 -0.305 0.000 0.747 58 L CB -0.730 41.205 42.059 -0.207 0.000 0.896 58 L HN 0.302 nan 8.230 nan 0.000 0.432 59 Y N 0.215 120.411 120.300 -0.173 0.000 2.145 59 Y HA -0.354 4.196 4.550 0.000 0.000 0.286 59 Y C 2.850 178.705 175.900 -0.075 0.000 1.145 59 Y CA 2.167 60.206 58.100 -0.102 0.000 1.148 59 Y CB -0.359 38.061 38.460 -0.067 0.000 0.981 59 Y HN 0.217 nan 8.280 nan 0.000 0.507 60 H N -0.369 118.663 119.070 -0.063 0.000 2.321 60 H HA -0.142 4.414 4.556 0.000 0.000 0.300 60 H C 1.911 177.124 175.328 -0.192 0.000 1.087 60 H CA 2.292 58.282 56.048 -0.097 0.000 1.319 60 H CB -0.462 29.318 29.762 0.029 0.000 1.379 60 H HN 0.321 nan 8.280 nan 0.000 0.501 61 D N -0.121 120.100 120.400 -0.298 0.000 2.123 61 D HA -0.123 4.517 4.640 0.000 0.000 0.196 61 D C 2.241 178.183 176.300 -0.597 0.000 0.992 61 D CA 1.356 55.168 54.000 -0.314 0.000 0.833 61 D CB -0.610 40.036 40.800 -0.257 0.000 0.954 61 D HN 0.557 nan 8.370 nan 0.000 0.455 62 A N 0.001 122.226 122.820 -0.991 0.000 1.940 62 A HA -0.214 4.106 4.320 0.000 0.000 0.219 62 A C 1.984 179.003 177.584 -0.940 0.000 1.176 62 A CA 1.451 52.509 52.037 -1.632 0.000 0.631 62 A CB -0.683 17.619 19.000 -1.164 0.000 0.814 62 A HN 0.397 nan 8.150 nan 0.000 0.446 63 H N -1.666 116.985 119.070 -0.698 0.000 2.415 63 H HA 0.194 4.750 4.556 0.000 0.000 0.297 63 H C 2.362 177.470 175.328 -0.368 0.000 1.048 63 H CA 1.155 56.907 56.048 -0.494 0.000 1.365 63 H CB 0.150 29.596 29.762 -0.528 0.000 1.421 63 H HN 0.561 nan 8.280 nan 0.000 0.533 64 A N 0.459 123.069 122.820 -0.349 0.000 2.014 64 A HA 0.001 4.321 4.320 0.000 0.000 0.210 64 A C 1.791 179.302 177.584 -0.121 0.000 1.188 64 A CA 0.469 52.342 52.037 -0.272 0.000 0.731 64 A CB 0.308 18.993 19.000 -0.525 0.000 0.858 64 A HN 0.258 nan 8.150 nan 0.000 0.464 65 N N -1.800 116.862 118.700 -0.064 0.000 2.257 65 N HA 0.206 4.946 4.740 0.000 0.000 0.200 65 N C 1.182 176.870 175.510 0.297 0.000 1.163 65 N CA -0.058 53.056 53.050 0.108 0.000 0.891 65 N CB -0.054 38.565 38.487 0.221 0.000 1.067 65 N HN 0.475 nan 8.380 nan 0.000 0.497 66 F N 2.294 122.257 119.950 0.022 0.000 2.087 66 F HA -0.272 4.255 4.527 0.000 0.000 0.299 66 F C 2.531 178.362 175.800 0.053 0.000 1.100 66 F CA 1.050 59.090 58.000 0.065 0.000 1.226 66 F CB 0.070 39.043 39.000 -0.045 0.000 0.983 66 F HN 0.068 nan 8.300 nan 0.000 0.479 67 A N 0.148 123.068 122.820 0.168 0.000 1.940 67 A HA -0.276 4.044 4.320 0.000 0.000 0.219 67 A C 2.063 179.643 177.584 -0.007 0.000 1.176 67 A CA 1.881 53.952 52.037 0.056 0.000 0.631 67 A CB -0.894 18.114 19.000 0.013 0.000 0.814 67 A HN 0.399 nan 8.150 nan 0.000 0.446 68 R N -1.685 118.766 120.500 -0.081 0.000 2.127 68 R HA -0.176 4.164 4.340 0.000 0.000 0.238 68 R C 1.422 177.549 176.300 -0.288 0.000 1.134 68 R CA 1.940 57.898 56.100 -0.237 0.000 0.975 68 R CB -0.384 29.670 30.300 -0.411 0.000 0.865 68 R HN 0.644 nan 8.270 nan 0.000 0.447 69 Y N -1.461 118.832 120.300 -0.013 0.000 2.511 69 Y HA 0.233 4.783 4.550 0.000 0.000 0.279 69 Y C 1.524 177.386 175.900 -0.064 0.000 1.157 69 Y CA 0.429 58.503 58.100 -0.044 0.000 1.300 69 Y CB 1.022 39.434 38.460 -0.081 0.000 1.052 69 Y HN 0.394 nan 8.280 nan 0.000 0.529 70 G N -0.082 108.754 108.800 0.060 0.000 2.168 70 G HA2 -0.224 3.736 3.960 0.000 0.000 0.197 70 G HA3 -0.224 3.736 3.960 0.000 0.000 0.197 70 G C -0.433 174.459 174.900 -0.013 0.000 0.997 70 G CA -0.589 44.520 45.100 0.015 0.000 0.658 70 G HN 0.079 nan 8.290 nan 0.000 0.513 71 L N 2.196 123.402 121.223 -0.027 0.000 2.281 71 L HA 0.701 5.041 4.340 0.000 0.000 0.285 71 L C 0.732 177.614 176.870 0.020 0.000 1.074 71 L CA -0.039 54.752 54.840 -0.083 0.000 0.817 71 L CB 1.102 42.953 42.059 -0.346 0.000 1.168 71 L HN 0.092 nan 8.230 nan 0.000 0.434 72 M N 2.001 121.609 119.600 0.012 0.000 2.478 72 M HA 0.503 4.983 4.480 0.000 0.000 0.327 72 M C 1.103 177.424 176.300 0.035 0.000 1.187 72 M CA -0.305 55.010 55.300 0.024 0.000 1.022 72 M CB 1.176 33.778 32.600 0.003 0.000 1.629 72 M HN 0.737 nan 8.290 nan 0.000 0.461 73 G N 0.837 109.644 108.800 0.012 0.000 2.176 73 G HA2 -0.206 3.755 3.960 0.000 0.000 0.232 73 G HA3 -0.206 3.755 3.960 0.000 0.000 0.232 73 G C 0.822 175.694 174.900 -0.048 0.000 0.986 73 G CA 0.450 45.544 45.100 -0.009 0.000 0.643 73 G HN 1.012 nan 8.290 nan 0.000 0.522 74 G N 0.218 108.992 108.800 -0.044 0.000 2.448 74 G HA2 0.016 3.976 3.960 0.000 0.000 0.219 74 G HA3 0.016 3.976 3.960 0.000 0.000 0.219 74 G C 1.234 175.788 174.900 -0.577 0.000 1.127 74 G CA 1.631 46.581 45.100 -0.251 0.000 0.766 74 G HN 0.526 nan 8.290 nan 0.000 0.552 75 E N 0.243 120.198 120.200 -0.407 0.000 2.265 75 E HA 0.006 4.357 4.350 0.000 0.000 0.196 75 E C 2.532 178.976 176.600 -0.261 0.000 0.996 75 E CA 0.845 57.001 56.400 -0.408 0.000 0.832 75 E CB -0.427 29.185 29.700 -0.146 0.000 0.756 75 E HN 0.328 nan 8.360 nan 0.000 0.491 76 G N -0.377 108.316 108.800 -0.177 0.000 2.920 76 G HA2 0.031 3.991 3.960 0.000 0.000 0.208 76 G HA3 0.031 3.991 3.960 0.000 0.000 0.208 76 G C 0.197 175.078 174.900 -0.032 0.000 1.159 76 G CA -0.191 44.873 45.100 -0.061 0.000 0.784 76 G HN 0.019 nan 8.290 nan 0.000 0.535 77 V N 1.843 121.688 119.914 -0.115 0.000 2.498 77 V HA 0.481 4.601 4.120 0.000 0.000 0.279 77 V C 0.615 176.876 176.094 0.279 0.000 1.048 77 V CA -0.162 62.149 62.300 0.017 0.000 0.967 77 V CB 1.035 32.786 31.823 -0.120 0.000 0.988 77 V HN 0.368 nan 8.190 nan 0.000 0.473 78 T N 2.694 117.403 114.554 0.258 0.000 2.930 78 T HA 0.767 5.117 4.350 0.000 0.000 0.290 78 T C -0.648 174.191 174.700 0.233 0.000 1.052 78 T CA -0.925 61.366 62.100 0.318 0.000 1.017 78 T CB 1.877 70.842 68.868 0.161 0.000 1.137 78 T HN 0.423 nan 8.240 nan 0.000 0.511 79 M N 2.816 122.461 119.600 0.075 0.000 2.149 79 M HA 0.377 4.857 4.480 0.000 0.000 0.342 79 M C -0.875 175.400 176.300 -0.043 0.000 1.068 79 M CA -0.702 54.556 55.300 -0.070 0.000 0.991 79 M CB 1.116 33.493 32.600 -0.372 0.000 1.596 79 M HN 0.727 nan 8.290 nan 0.000 0.439 80 D N 2.758 123.151 120.400 -0.011 0.000 2.393 80 D HA 0.118 4.758 4.640 0.000 0.000 0.232 80 D C 0.580 176.876 176.300 -0.007 0.000 1.192 80 D CA 0.231 54.231 54.000 -0.001 0.000 0.882 80 D CB 0.938 41.744 40.800 0.010 0.000 1.038 80 D HN 0.830 nan 8.370 nan 0.000 0.499 81 S N 2.976 118.676 115.700 0.000 0.000 2.419 81 S HA -0.184 4.286 4.470 0.000 0.000 0.235 81 S C 1.928 176.549 174.600 0.035 0.000 1.019 81 S CA 0.851 59.068 58.200 0.028 0.000 0.982 81 S CB -0.075 63.173 63.200 0.080 0.000 0.789 81 S HN 0.457 nan 8.310 nan 0.000 0.490 82 A N 2.254 125.088 122.820 0.022 0.000 1.897 82 A HA 0.038 4.358 4.320 0.000 0.000 0.215 82 A C 2.278 179.870 177.584 0.013 0.000 1.181 82 A CA 1.306 53.355 52.037 0.019 0.000 0.620 82 A CB -0.479 18.529 19.000 0.012 0.000 0.821 82 A HN 0.556 nan 8.150 nan 0.000 0.443 83 K N -0.976 119.429 120.400 0.009 0.000 2.148 83 K HA -0.041 4.279 4.320 0.000 0.000 0.204 83 K C 2.123 178.725 176.600 0.003 0.000 1.050 83 K CA 1.319 57.610 56.287 0.006 0.000 0.942 83 K CB -0.241 32.264 32.500 0.007 0.000 0.724 83 K HN 0.624 nan 8.250 nan 0.000 0.446 84 M N 0.896 120.495 119.600 -0.003 0.000 2.086 84 M HA -0.231 4.249 4.480 0.000 0.000 0.261 84 M C 1.937 178.232 176.300 -0.008 0.000 1.067 84 M CA 1.632 56.923 55.300 -0.015 0.000 1.116 84 M CB 0.078 32.653 32.600 -0.042 0.000 1.348 84 M HN 0.039 nan 8.290 nan 0.000 0.407 85 Q N 0.097 119.903 119.800 0.010 0.000 2.124 85 Q HA -0.254 4.086 4.340 0.000 0.000 0.202 85 Q C 1.904 177.908 176.000 0.006 0.000 0.977 85 Q CA 1.850 57.664 55.803 0.018 0.000 0.850 85 Q CB -0.549 28.214 28.738 0.042 0.000 0.901 85 Q HN 0.716 nan 8.270 nan 0.000 0.429 86 Q N 0.330 120.133 119.800 0.005 0.000 2.124 86 Q HA -0.234 4.106 4.340 0.000 0.000 0.202 86 Q C 2.052 178.050 176.000 -0.005 0.000 0.977 86 Q CA 1.577 57.380 55.803 -0.000 0.000 0.850 86 Q CB 0.129 28.868 28.738 0.001 0.000 0.901 86 Q HN 0.165 nan 8.270 nan 0.000 0.429 87 Q N 1.010 120.808 119.800 -0.004 0.000 2.119 87 Q HA -0.169 4.171 4.340 0.000 0.000 0.201 87 Q C 1.779 177.772 176.000 -0.012 0.000 0.972 87 Q CA 1.857 57.657 55.803 -0.005 0.000 0.847 87 Q CB -0.183 28.557 28.738 0.003 0.000 0.903 87 Q HN 0.265 nan 8.270 nan 0.000 0.433 88 K N 0.176 120.568 120.400 -0.013 0.000 2.032 88 K HA -0.211 4.109 4.320 0.000 0.000 0.209 88 K C 1.801 178.387 176.600 -0.024 0.000 1.048 88 K CA 1.769 58.044 56.287 -0.021 0.000 0.927 88 K CB -0.107 32.380 32.500 -0.022 0.000 0.712 88 K HN 0.359 nan 8.250 nan 0.000 0.441 89 E N 0.009 120.198 120.200 -0.018 0.000 2.110 89 E HA -0.195 4.156 4.350 0.000 0.000 0.193 89 E C 2.240 178.824 176.600 -0.026 0.000 0.988 89 E CA 0.948 57.335 56.400 -0.021 0.000 0.804 89 E CB -0.017 29.674 29.700 -0.015 0.000 0.745 89 E HN 0.238 nan 8.360 nan 0.000 0.458 90 R N 0.605 121.091 120.500 -0.023 0.000 2.073 90 R HA -0.146 4.194 4.340 0.000 0.000 0.234 90 R C 2.239 178.519 176.300 -0.034 0.000 1.134 90 R CA 1.451 57.536 56.100 -0.026 0.000 0.952 90 R CB -0.222 30.066 30.300 -0.020 0.000 0.850 90 R HN 0.153 nan 8.270 nan 0.000 0.433 91 A N -0.217 122.582 122.820 -0.035 0.000 1.902 91 A HA -0.112 4.208 4.320 0.000 0.000 0.217 91 A C 2.261 179.814 177.584 -0.052 0.000 1.181 91 A CA 1.595 53.605 52.037 -0.044 0.000 0.623 91 A CB -0.607 18.365 19.000 -0.046 0.000 0.818 91 A HN 0.212 nan 8.150 nan 0.000 0.443 92 V N 0.131 120.016 119.914 -0.049 0.000 2.295 92 V HA -0.259 3.861 4.120 0.000 0.000 0.246 92 V C 2.589 178.646 176.094 -0.061 0.000 1.049 92 V CA 2.499 64.766 62.300 -0.056 0.000 1.024 92 V CB -0.605 31.189 31.823 -0.049 0.000 0.648 92 V HN 0.604 nan 8.190 nan 0.000 0.447 93 K N 0.903 121.272 120.400 -0.052 0.000 2.063 93 K HA -0.114 4.206 4.320 0.000 0.000 0.208 93 K C 2.046 178.610 176.600 -0.059 0.000 1.048 93 K CA 1.689 57.945 56.287 -0.052 0.000 0.928 93 K CB -1.082 31.394 32.500 -0.039 0.000 0.713 93 K HN 0.436 nan 8.250 nan 0.000 0.442 94 G N 0.254 109.020 108.800 -0.057 0.000 2.422 94 G HA2 -0.199 3.762 3.960 0.000 0.000 0.218 94 G HA3 -0.199 3.762 3.960 0.000 0.000 0.218 94 G C 1.483 176.338 174.900 -0.074 0.000 1.146 94 G CA 0.917 45.981 45.100 -0.060 0.000 0.769 94 G HN 0.282 nan 8.290 nan 0.000 0.547 95 L N 0.880 122.054 121.223 -0.082 0.000 2.095 95 L HA -0.015 4.325 4.340 0.000 0.000 0.204 95 L C 3.356 180.135 176.870 -0.153 0.000 1.080 95 L CA 1.629 56.407 54.840 -0.104 0.000 0.759 95 L CB -0.597 41.407 42.059 -0.092 0.000 0.914 95 L HN 0.403 nan 8.230 nan 0.000 0.439 96 T N -3.436 111.030 114.554 -0.146 0.000 2.857 96 T HA -0.072 4.278 4.350 0.000 0.000 0.266 96 T C 1.922 176.511 174.700 -0.186 0.000 1.048 96 T CA 0.936 62.921 62.100 -0.191 0.000 1.139 96 T CB -0.804 67.979 68.868 -0.141 0.000 0.874 96 T HN 0.352 nan 8.240 nan 0.000 0.455 97 G N 1.166 109.895 108.800 -0.119 0.000 2.408 97 G HA2 0.121 4.081 3.960 0.000 0.000 0.217 97 G HA3 0.121 4.081 3.960 0.000 0.000 0.217 97 G C 1.701 176.554 174.900 -0.077 0.000 1.150 97 G CA 0.556 45.606 45.100 -0.083 0.000 0.776 97 G HN 0.643 nan 8.290 nan 0.000 0.542 98 G N 0.490 109.236 108.800 -0.091 0.000 2.422 98 G HA2 -0.142 3.818 3.960 0.000 0.000 0.218 98 G HA3 -0.142 3.818 3.960 0.000 0.000 0.218 98 G C 1.736 176.579 174.900 -0.095 0.000 1.146 98 G CA 1.171 46.241 45.100 -0.050 0.000 0.769 98 G HN 0.318 nan 8.290 nan 0.000 0.547 99 V N 0.625 120.365 119.914 -0.289 0.000 2.427 99 V HA -0.148 3.973 4.120 0.000 0.000 0.248 99 V C 2.635 178.413 176.094 -0.526 0.000 1.051 99 V CA 1.960 63.945 62.300 -0.525 0.000 1.048 99 V CB -0.420 30.852 31.823 -0.918 0.000 0.666 99 V HN 0.451 nan 8.190 nan 0.000 0.456 100 E N -0.678 119.289 120.200 -0.388 0.000 2.118 100 E HA -0.271 4.079 4.350 0.000 0.000 0.195 100 E C 2.104 178.663 176.600 -0.068 0.000 0.992 100 E CA 1.794 58.040 56.400 -0.256 0.000 0.804 100 E CB -0.246 29.400 29.700 -0.090 0.000 0.741 100 E HN 0.783 nan 8.360 nan 0.000 0.458 101 Y N 1.405 121.649 120.300 -0.093 0.000 2.200 101 Y HA -0.160 4.390 4.550 0.000 0.000 0.290 101 Y C 1.935 177.842 175.900 0.012 0.000 1.137 101 Y CA 1.211 59.295 58.100 -0.026 0.000 1.163 101 Y CB -0.230 38.208 38.460 -0.037 0.000 0.988 101 Y HN -0.074 nan 8.280 nan 0.000 0.518 102 L N -1.023 120.083 121.223 -0.196 0.000 2.131 102 L HA -0.221 4.119 4.340 0.000 0.000 0.210 102 L C 2.391 179.243 176.870 -0.030 0.000 1.092 102 L CA 1.364 56.103 54.840 -0.168 0.000 0.759 102 L CB -0.730 41.340 42.059 0.017 0.000 0.903 102 L HN 0.273 nan 8.230 nan 0.000 0.435 103 F N 0.371 120.191 119.950 -0.216 0.000 2.113 103 F HA -0.263 4.264 4.527 0.000 0.000 0.297 103 F C 2.802 178.501 175.800 -0.169 0.000 1.103 103 F CA 0.992 58.895 58.000 -0.161 0.000 1.248 103 F CB -0.040 38.864 39.000 -0.160 0.000 0.999 103 F HN 0.031 nan 8.300 nan 0.000 0.475 104 K N 1.252 121.637 120.400 -0.025 0.000 2.002 104 K HA -0.262 4.058 4.320 0.000 0.000 0.209 104 K C 2.148 178.633 176.600 -0.193 0.000 1.048 104 K CA 1.703 57.930 56.287 -0.100 0.000 0.930 104 K CB -0.258 32.182 32.500 -0.101 0.000 0.714 104 K HN 0.051 nan 8.250 nan 0.000 0.438 105 K N 0.272 120.420 120.400 -0.420 0.000 2.113 105 K HA -0.147 4.173 4.320 0.000 0.000 0.208 105 K C 1.259 177.768 176.600 -0.152 0.000 1.047 105 K CA 1.689 57.768 56.287 -0.347 0.000 0.928 105 K CB -0.014 32.156 32.500 -0.549 0.000 0.716 105 K HN 0.240 nan 8.250 nan 0.000 0.446 106 N N 0.502 119.132 118.700 -0.118 0.000 2.336 106 N HA -0.011 4.729 4.740 0.000 0.000 0.189 106 N C -0.596 174.873 175.510 -0.069 0.000 1.113 106 N CA 0.255 53.265 53.050 -0.066 0.000 0.858 106 N CB 0.662 39.127 38.487 -0.036 0.000 0.970 106 N HN 0.065 nan 8.380 nan 0.000 0.471 107 K N 0.150 120.507 120.400 -0.073 0.000 3.125 107 K HA -0.108 4.212 4.320 0.000 0.000 0.268 107 K C -0.814 175.733 176.600 -0.088 0.000 1.078 107 K CA 0.194 56.445 56.287 -0.059 0.000 0.775 107 K CB -2.270 30.209 32.500 -0.035 0.000 1.253 107 K HN -0.002 nan 8.250 nan 0.000 0.486 108 V N 1.335 121.145 119.914 -0.174 0.000 2.465 108 V HA 0.162 4.282 4.120 0.000 0.000 0.279 108 V C 0.946 176.902 176.094 -0.230 0.000 1.045 108 V CA -0.236 61.869 62.300 -0.325 0.000 0.938 108 V CB 1.784 33.083 31.823 -0.874 0.000 0.986 108 V HN 0.248 nan 8.190 nan 0.000 0.467 109 T N 5.520 119.990 114.554 -0.140 0.000 2.780 109 T HA 0.271 4.622 4.350 0.000 0.000 0.294 109 T C -0.706 173.942 174.700 -0.087 0.000 0.949 109 T CA 0.139 62.185 62.100 -0.090 0.000 1.074 109 T CB 0.075 68.951 68.868 0.012 0.000 0.910 109 T HN 0.502 nan 8.240 nan 0.000 0.501 110 Y N 4.452 124.628 120.300 -0.207 0.000 2.342 110 Y HA 0.459 5.009 4.550 0.000 0.000 0.338 110 Y C -1.576 174.215 175.900 -0.181 0.000 0.965 110 Y CA -2.384 55.678 58.100 -0.063 0.000 1.159 110 Y CB 0.189 38.748 38.460 0.166 0.000 1.157 110 Y HN 0.562 nan 8.280 nan 0.000 0.486 111 Y N 5.039 125.396 120.300 0.095 0.000 2.331 111 Y HA 0.419 4.969 4.550 0.000 0.000 0.338 111 Y C 0.020 175.819 175.900 -0.168 0.000 0.992 111 Y CA -0.740 57.299 58.100 -0.101 0.000 1.121 111 Y CB 1.382 39.812 38.460 -0.050 0.000 1.184 111 Y HN 0.374 nan 8.280 nan 0.000 0.469 112 K N 3.390 123.683 120.400 -0.178 0.000 2.268 112 K HA 0.653 4.973 4.320 0.000 0.000 0.276 112 K C 0.023 176.618 176.600 -0.009 0.000 1.080 112 K CA -0.372 55.827 56.287 -0.147 0.000 0.910 112 K CB 0.738 33.082 32.500 -0.260 0.000 1.163 112 K HN 0.934 nan 8.250 nan 0.000 0.465 113 G N 1.623 110.448 108.800 0.042 0.000 2.315 113 G HA2 -0.011 3.950 3.960 0.000 0.000 0.294 113 G HA3 -0.011 3.950 3.960 0.000 0.000 0.294 113 G C -1.803 173.120 174.900 0.038 0.000 1.300 113 G CA -0.835 44.284 45.100 0.033 0.000 0.843 113 G HN 0.484 nan 8.290 nan 0.000 0.527 114 E N -0.277 119.937 120.200 0.022 0.000 2.227 114 E HA 0.561 4.911 4.350 0.000 0.000 0.282 114 E C 0.423 177.010 176.600 -0.023 0.000 1.015 114 E CA -0.458 55.954 56.400 0.021 0.000 0.823 114 E CB 1.043 30.763 29.700 0.033 0.000 1.081 114 E HN 0.800 nan 8.360 nan 0.000 0.396 115 G N 2.049 110.821 108.800 -0.047 0.000 2.367 115 G HA2 0.420 4.380 3.960 0.000 0.000 0.314 115 G HA3 0.420 4.380 3.960 0.000 0.000 0.314 115 G C -0.954 173.855 174.900 -0.152 0.000 1.130 115 G CA -0.400 44.621 45.100 -0.131 0.000 0.864 115 G HN 0.382 nan 8.290 nan 0.000 0.486 116 S N -0.028 115.558 115.700 -0.191 0.000 2.540 116 S HA 0.618 5.088 4.470 0.000 0.000 0.275 116 S C -1.147 173.344 174.600 -0.182 0.000 1.123 116 S CA -0.611 57.504 58.200 -0.143 0.000 0.907 116 S CB 0.735 63.907 63.200 -0.047 0.000 1.081 116 S HN 0.342 nan 8.310 nan 0.000 0.476 117 F N 2.501 122.434 119.950 -0.028 0.000 2.412 117 F HA 0.351 4.878 4.527 0.000 0.000 0.348 117 F C 1.490 177.277 175.800 -0.021 0.000 1.102 117 F CA -0.053 57.931 58.000 -0.028 0.000 1.196 117 F CB 1.164 40.144 39.000 -0.034 0.000 1.144 117 F HN 0.708 nan 8.300 nan 0.000 0.541 118 E N 0.776 121.088 120.200 0.188 0.000 2.152 118 E HA 0.073 4.423 4.350 0.000 0.000 0.195 118 E C 0.477 177.147 176.600 0.117 0.000 0.934 118 E CA 0.840 57.305 56.400 0.109 0.000 0.869 118 E CB 0.348 30.089 29.700 0.068 0.000 0.842 118 E HN 0.674 nan 8.360 nan 0.000 0.472 119 T N -3.945 110.698 114.554 0.150 0.000 2.778 119 T HA 0.662 5.012 4.350 0.000 0.000 0.293 119 T C 0.870 175.647 174.700 0.128 0.000 1.144 119 T CA -0.301 61.865 62.100 0.110 0.000 1.010 119 T CB 0.932 69.868 68.868 0.115 0.000 1.325 119 T HN -0.045 nan 8.240 nan 0.000 0.515 120 A N -0.475 122.347 122.820 0.003 0.000 2.121 120 A HA 0.065 4.385 4.320 0.000 0.000 0.218 120 A C 1.369 178.788 177.584 -0.274 0.000 1.154 120 A CA 1.354 53.281 52.037 -0.184 0.000 0.679 120 A CB -1.079 17.741 19.000 -0.299 0.000 0.795 120 A HN 0.930 nan 8.150 nan 0.000 0.458 121 H N -1.034 118.121 119.070 0.142 0.000 2.923 121 H HA 0.273 4.829 4.556 0.000 0.000 0.268 121 H C -0.290 175.107 175.328 0.116 0.000 1.148 121 H CA 0.447 56.575 56.048 0.132 0.000 1.146 121 H CB 0.599 30.414 29.762 0.088 0.000 1.607 121 H HN 0.415 nan 8.280 nan 0.000 0.566 122 S N 0.505 116.317 115.700 0.187 0.000 2.614 122 S HA 0.587 5.057 4.470 0.000 0.000 0.288 122 S C -0.742 173.896 174.600 0.063 0.000 1.137 122 S CA -0.844 57.423 58.200 0.111 0.000 0.992 122 S CB 1.690 64.947 63.200 0.094 0.000 1.026 122 S HN 0.121 nan 8.310 nan 0.000 0.486 123 I N 2.689 123.240 120.570 -0.032 0.000 2.406 123 I HA 0.494 4.665 4.170 0.000 0.000 0.290 123 I C 0.195 176.232 176.117 -0.133 0.000 0.999 123 I CA -0.706 60.506 61.300 -0.147 0.000 1.124 123 I CB 1.828 39.670 38.000 -0.263 0.000 1.289 123 I HN 0.677 nan 8.210 nan 0.000 0.441 124 R N 6.104 126.534 120.500 -0.116 0.000 2.297 124 R HA 0.622 4.962 4.340 0.000 0.000 0.308 124 R C -1.591 174.637 176.300 -0.120 0.000 1.029 124 R CA -0.373 55.672 56.100 -0.092 0.000 0.929 124 R CB 1.230 31.501 30.300 -0.048 0.000 1.046 124 R HN 0.465 nan 8.270 nan 0.000 0.461 125 V N 5.164 125.006 119.914 -0.122 0.000 2.357 125 V HA 0.185 4.305 4.120 0.000 0.000 0.284 125 V C 0.002 176.066 176.094 -0.050 0.000 1.018 125 V CA -0.738 61.496 62.300 -0.110 0.000 0.841 125 V CB 1.266 32.985 31.823 -0.174 0.000 0.991 125 V HN 0.847 nan 8.190 nan 0.000 0.437 126 N N 4.128 122.810 118.700 -0.029 0.000 2.602 126 N HA 0.289 5.029 4.740 0.000 0.000 0.238 126 N C 0.595 176.106 175.510 0.002 0.000 1.084 126 N CA -0.336 52.709 53.050 -0.009 0.000 0.952 126 N CB 0.809 39.294 38.487 -0.003 0.000 1.244 126 N HN 0.878 nan 8.380 nan 0.000 0.512 127 G N 2.277 111.083 108.800 0.009 0.000 2.559 127 G HA2 0.008 3.969 3.960 0.000 0.000 0.235 127 G HA3 0.008 3.969 3.960 0.000 0.000 0.235 127 G C 1.226 176.129 174.900 0.005 0.000 1.266 127 G CA -0.410 44.699 45.100 0.015 0.000 0.847 127 G HN 0.636 nan 8.290 nan 0.000 0.583 128 L N 0.827 122.048 121.223 -0.002 0.000 2.201 128 L HA -0.048 4.292 4.340 0.000 0.000 0.212 128 L C 2.069 178.935 176.870 -0.007 0.000 1.105 128 L CA 1.358 56.195 54.840 -0.006 0.000 0.775 128 L CB -0.267 41.783 42.059 -0.014 0.000 0.913 128 L HN 0.711 nan 8.230 nan 0.000 0.440 129 D N -0.792 119.603 120.400 -0.009 0.000 2.324 129 D HA 0.086 4.726 4.640 0.000 0.000 0.235 129 D C 1.460 177.759 176.300 -0.001 0.000 1.095 129 D CA 0.665 54.661 54.000 -0.007 0.000 0.871 129 D CB 0.183 40.977 40.800 -0.011 0.000 0.906 129 D HN 0.250 nan 8.370 nan 0.000 0.522 130 G N 0.761 109.562 108.800 0.001 0.000 2.320 130 G HA2 -0.367 3.593 3.960 0.000 0.000 0.242 130 G HA3 -0.367 3.593 3.960 0.000 0.000 0.242 130 G C 0.317 175.220 174.900 0.006 0.000 1.033 130 G CA 0.308 45.410 45.100 0.003 0.000 0.620 130 G HN 0.761 nan 8.290 nan 0.000 0.517 131 K N 1.113 121.518 120.400 0.008 0.000 2.298 131 K HA 0.577 4.897 4.320 0.000 0.000 0.280 131 K C -0.032 176.576 176.600 0.015 0.000 1.032 131 K CA -0.291 56.004 56.287 0.013 0.000 0.958 131 K CB 0.955 33.466 32.500 0.018 0.000 0.978 131 K HN 0.375 nan 8.250 nan 0.000 0.472 132 Q N 1.776 121.583 119.800 0.011 0.000 2.235 132 Q HA 0.267 4.607 4.340 0.000 0.000 0.256 132 Q C -0.959 175.045 176.000 0.006 0.000 0.951 132 Q CA -0.643 55.162 55.803 0.004 0.000 0.890 132 Q CB 1.961 30.699 28.738 -0.000 0.000 1.279 132 Q HN 0.668 nan 8.270 nan 0.000 0.444 133 E N 1.121 121.314 120.200 -0.013 0.000 2.413 133 E HA 0.432 4.783 4.350 0.000 0.000 0.277 133 E C -1.608 174.958 176.600 -0.056 0.000 0.958 133 E CA -0.825 55.564 56.400 -0.018 0.000 0.779 133 E CB 2.099 31.799 29.700 -0.001 0.000 1.278 133 E HN 0.290 nan 8.360 nan 0.000 0.456 134 M N 2.439 122.015 119.600 -0.039 0.000 2.243 134 M HA 0.365 4.845 4.480 0.000 0.000 0.324 134 M C -1.923 174.353 176.300 -0.040 0.000 1.031 134 M CA -0.673 54.602 55.300 -0.042 0.000 0.949 134 M CB 1.031 33.627 32.600 -0.006 0.000 1.615 134 M HN 0.266 nan 8.290 nan 0.000 0.430 135 L N 3.792 124.971 121.223 -0.073 0.000 2.322 135 L HA 0.547 4.887 4.340 0.000 0.000 0.279 135 L C -0.317 176.584 176.870 0.052 0.000 1.036 135 L CA -0.045 54.783 54.840 -0.021 0.000 0.807 135 L CB 1.673 43.634 42.059 -0.163 0.000 1.226 135 L HN 0.647 nan 8.230 nan 0.000 0.433 136 E N 0.807 121.081 120.200 0.123 0.000 2.183 136 E HA 0.642 4.992 4.350 0.000 0.000 0.271 136 E C -0.945 175.764 176.600 0.183 0.000 0.919 136 E CA -0.411 56.064 56.400 0.125 0.000 0.781 136 E CB 2.312 32.063 29.700 0.086 0.000 1.140 136 E HN 0.558 nan 8.360 nan 0.000 0.402 137 T N 0.969 115.638 114.554 0.192 0.000 2.843 137 T HA 0.271 4.621 4.350 0.000 0.000 0.302 137 T C 0.008 174.857 174.700 0.249 0.000 1.232 137 T CA -0.531 61.699 62.100 0.216 0.000 1.009 137 T CB 1.388 70.368 68.868 0.188 0.000 1.254 137 T HN 0.387 nan 8.240 nan 0.000 0.504 138 K N 0.331 120.862 120.400 0.219 0.000 2.211 138 K HA 0.276 4.596 4.320 0.000 0.000 0.201 138 K C 0.230 177.004 176.600 0.291 0.000 1.052 138 K CA 0.413 56.848 56.287 0.246 0.000 0.973 138 K CB 0.246 32.833 32.500 0.145 0.000 0.766 138 K HN 0.177 nan 8.250 nan 0.000 0.466 139 K N 0.661 121.187 120.400 0.211 0.000 2.508 139 K HA 0.360 4.680 4.320 0.000 0.000 0.260 139 K C -1.005 175.699 176.600 0.173 0.000 0.949 139 K CA -0.435 55.974 56.287 0.203 0.000 0.834 139 K CB 2.364 34.947 32.500 0.137 0.000 1.365 139 K HN -0.206 nan 8.250 nan 0.000 0.437 140 T N 1.550 116.240 114.554 0.227 0.000 2.886 140 T HA 0.590 4.940 4.350 0.000 0.000 0.292 140 T C -0.136 174.716 174.700 0.255 0.000 1.012 140 T CA -0.575 61.649 62.100 0.207 0.000 0.982 140 T CB 1.211 70.253 68.868 0.291 0.000 1.018 140 T HN 0.334 nan 8.240 nan 0.000 0.451 141 I N 3.226 123.894 120.570 0.164 0.000 2.362 141 I HA 0.437 4.607 4.170 0.000 0.000 0.289 141 I C -0.333 175.873 176.117 0.149 0.000 0.994 141 I CA -0.839 60.563 61.300 0.170 0.000 1.158 141 I CB 1.469 39.514 38.000 0.075 0.000 1.315 141 I HN 0.473 nan 8.210 nan 0.000 0.451 142 I N 6.036 126.721 120.570 0.191 0.000 2.352 142 I HA 0.341 4.511 4.170 0.000 0.000 0.290 142 I C 0.579 176.773 176.117 0.129 0.000 1.036 142 I CA 0.116 61.518 61.300 0.170 0.000 1.336 142 I CB 1.242 39.368 38.000 0.210 0.000 1.407 142 I HN 0.695 nan 8.210 nan 0.000 0.497 143 A N 3.666 126.549 122.820 0.104 0.000 3.176 143 A HA 0.234 4.554 4.320 0.000 0.000 0.265 143 A C 0.867 178.515 177.584 0.108 0.000 0.936 143 A CA -0.346 51.746 52.037 0.092 0.000 1.033 143 A CB -0.344 18.693 19.000 0.061 0.000 1.158 143 A HN 0.741 nan 8.150 nan 0.000 0.485 144 T N -3.082 111.553 114.554 0.134 0.000 3.148 144 T HA 0.420 4.770 4.350 0.000 0.000 0.253 144 T C 1.420 176.250 174.700 0.218 0.000 1.134 144 T CA 1.118 63.330 62.100 0.187 0.000 1.051 144 T CB -0.238 68.755 68.868 0.208 0.000 0.959 144 T HN 2.026 nan 8.240 nan 0.000 0.525 145 G N 1.694 110.590 108.800 0.160 0.000 2.547 145 G HA2 -0.113 3.847 3.960 0.000 0.000 0.271 145 G HA3 -0.113 3.847 3.960 0.000 0.000 0.271 145 G C 0.008 175.000 174.900 0.154 0.000 1.209 145 G CA 0.377 45.557 45.100 0.134 0.000 0.959 145 G HN 1.631 nan 8.290 nan 0.000 0.563 146 S N -0.709 115.051 115.700 0.101 0.000 2.720 146 S HA 0.820 5.290 4.470 0.000 0.000 0.287 146 S C -0.748 173.858 174.600 0.010 0.000 1.168 146 S CA 0.410 58.664 58.200 0.089 0.000 0.832 146 S CB 2.438 65.683 63.200 0.075 0.000 1.166 146 S HN 1.883 nan 8.310 nan 0.000 0.493 147 E N -0.842 119.369 120.200 0.017 0.000 2.433 147 E HA 0.642 4.992 4.350 0.000 0.000 0.278 147 E C -3.389 173.218 176.600 0.012 0.000 0.976 147 E CA -2.509 53.867 56.400 -0.042 0.000 0.793 147 E CB 1.363 31.020 29.700 -0.072 0.000 1.311 147 E HN 0.333 nan 8.360 nan 0.000 0.460 148 P HA 0.093 nan 4.420 nan 0.000 0.271 148 P C -0.685 176.725 177.300 0.183 0.000 1.216 148 P CA -0.126 63.010 63.100 0.060 0.000 0.776 148 P CB 0.623 32.279 31.700 -0.074 0.000 0.881 149 T N 2.529 117.188 114.554 0.174 0.000 2.814 149 T HA 0.123 4.473 4.350 0.000 0.000 0.297 149 T C 0.156 174.949 174.700 0.155 0.000 0.956 149 T CA -0.074 62.106 62.100 0.133 0.000 1.123 149 T CB 0.103 69.016 68.868 0.075 0.000 0.902 149 T HN 0.409 nan 8.240 nan 0.000 0.528 150 E N 2.888 123.100 120.200 0.020 0.000 2.277 150 E HA 0.365 4.715 4.350 0.000 0.000 0.274 150 E C -0.648 175.725 176.600 -0.379 0.000 1.022 150 E CA -0.700 55.486 56.400 -0.356 0.000 0.853 150 E CB 0.697 30.212 29.700 -0.308 0.000 1.086 150 E HN 0.498 nan 8.360 nan 0.000 0.397 151 L N 6.141 127.018 121.223 -0.577 0.000 2.281 151 L HA 0.203 4.543 4.340 0.000 0.000 0.285 151 L C -1.731 174.771 176.870 -0.613 0.000 1.074 151 L CA -1.723 52.745 54.840 -0.621 0.000 0.817 151 L CB 1.049 42.575 42.059 -0.889 0.000 1.168 151 L HN 0.556 nan 8.230 nan 0.000 0.434 152 P HA -0.196 nan 4.420 nan 0.000 0.218 152 P C 0.975 178.174 177.300 -0.170 0.000 1.148 152 P CA 1.405 64.379 63.100 -0.210 0.000 0.822 152 P CB 0.082 31.754 31.700 -0.047 0.000 0.784 153 F N -3.246 116.652 119.950 -0.087 0.000 2.765 153 F HA 0.357 4.884 4.527 0.000 0.000 0.302 153 F C 0.650 176.402 175.800 -0.080 0.000 1.111 153 F CA -0.020 57.938 58.000 -0.070 0.000 1.359 153 F CB -0.408 38.559 39.000 -0.054 0.000 1.097 153 F HN -0.261 nan 8.300 nan 0.000 0.577 154 L N 2.705 123.664 121.223 -0.441 0.000 2.475 154 L HA 0.414 4.754 4.340 0.000 0.000 0.253 154 L C -2.656 173.987 176.870 -0.378 0.000 1.483 154 L CA -1.899 52.764 54.840 -0.295 0.000 0.869 154 L CB 1.294 43.173 42.059 -0.300 0.000 1.086 154 L HN -0.169 nan 8.230 nan 0.000 0.514 155 P HA 0.048 nan 4.420 nan 0.000 0.269 155 P C -0.411 176.749 177.300 -0.233 0.000 1.209 155 P CA 0.027 62.949 63.100 -0.297 0.000 0.776 155 P CB 0.342 31.961 31.700 -0.134 0.000 0.876 156 F N 1.839 121.750 119.950 -0.065 0.000 2.529 156 F HA 0.086 4.614 4.527 0.000 0.000 0.365 156 F C 1.579 177.354 175.800 -0.042 0.000 1.102 156 F CA 0.651 58.619 58.000 -0.053 0.000 1.271 156 F CB 0.025 38.996 39.000 -0.048 0.000 1.120 156 F HN 0.382 nan 8.300 nan 0.000 0.579 157 D N -0.501 119.999 120.400 0.167 0.000 2.500 157 D HA 0.002 4.642 4.640 0.000 0.000 0.217 157 D C 0.347 176.679 176.300 0.053 0.000 1.159 157 D CA 0.082 54.130 54.000 0.080 0.000 0.828 157 D CB -0.153 40.670 40.800 0.038 0.000 1.039 157 D HN 0.433 nan 8.370 nan 0.000 0.512 158 E N -0.003 120.236 120.200 0.065 0.000 2.883 158 E HA -0.255 4.095 4.350 0.000 0.000 0.271 158 E C 0.610 177.199 176.600 -0.018 0.000 1.049 158 E CA 0.912 57.310 56.400 -0.003 0.000 0.817 158 E CB -1.465 28.212 29.700 -0.039 0.000 1.407 158 E HN 0.577 nan 8.360 nan 0.000 0.434 159 K N -0.998 119.398 120.400 -0.008 0.000 2.353 159 K HA 0.122 4.442 4.320 0.000 0.000 0.206 159 K C 1.944 178.523 176.600 -0.036 0.000 1.191 159 K CA 0.981 57.252 56.287 -0.027 0.000 0.897 159 K CB 0.644 33.133 32.500 -0.019 0.000 1.283 159 K HN 0.071 nan 8.250 nan 0.000 0.477 160 V N -2.287 117.618 119.914 -0.016 0.000 3.473 160 V HA 0.281 4.401 4.120 0.000 0.000 0.253 160 V C 0.384 176.481 176.094 0.004 0.000 1.340 160 V CA -0.396 61.891 62.300 -0.022 0.000 1.103 160 V CB 1.057 32.867 31.823 -0.022 0.000 0.881 160 V HN -0.173 nan 8.190 nan 0.000 0.451 161 V N 4.005 123.942 119.914 0.038 0.000 2.294 161 V HA 0.521 4.641 4.120 0.000 0.000 0.272 161 V C -0.341 175.872 176.094 0.199 0.000 1.027 161 V CA -0.241 62.111 62.300 0.086 0.000 0.823 161 V CB 0.860 32.707 31.823 0.041 0.000 1.030 161 V HN 0.362 nan 8.190 nan 0.000 0.457 162 L N 4.318 125.646 121.223 0.175 0.000 2.331 162 L HA 0.718 5.058 4.340 0.000 0.000 0.275 162 L C 0.642 177.548 176.870 0.060 0.000 1.022 162 L CA -0.278 54.618 54.840 0.094 0.000 0.812 162 L CB 2.058 44.117 42.059 -0.002 0.000 1.257 162 L HN 0.684 nan 8.230 nan 0.000 0.435 163 S N -0.640 114.845 115.700 -0.358 0.000 2.745 163 S HA 0.280 4.750 4.470 0.000 0.000 0.292 163 S C 1.076 175.543 174.600 -0.221 0.000 1.127 163 S CA -0.051 57.809 58.200 -0.566 0.000 1.007 163 S CB 1.359 63.870 63.200 -1.149 0.000 1.165 163 S HN 0.674 nan 8.310 nan 0.000 0.544 164 S N 0.059 115.667 115.700 -0.154 0.000 2.419 164 S HA -0.119 4.351 4.470 0.000 0.000 0.233 164 S C 1.670 176.230 174.600 -0.067 0.000 1.016 164 S CA 1.580 59.745 58.200 -0.059 0.000 0.974 164 S CB -1.482 61.698 63.200 -0.034 0.000 0.786 164 S HN 0.763 nan 8.310 nan 0.000 0.492 165 T N 2.089 116.563 114.554 -0.134 0.000 2.708 165 T HA 0.032 4.382 4.350 0.000 0.000 0.266 165 T C 2.073 176.728 174.700 -0.076 0.000 1.037 165 T CA 1.466 63.502 62.100 -0.106 0.000 1.146 165 T CB -1.038 67.741 68.868 -0.148 0.000 0.865 165 T HN 0.635 nan 8.240 nan 0.000 0.435 166 G N 0.817 109.551 108.800 -0.110 0.000 2.422 166 G HA2 0.011 3.971 3.960 0.000 0.000 0.218 166 G HA3 0.011 3.971 3.960 0.000 0.000 0.218 166 G C 1.760 176.640 174.900 -0.033 0.000 1.140 166 G CA 0.820 45.875 45.100 -0.074 0.000 0.775 166 G HN 0.571 nan 8.290 nan 0.000 0.545 167 A N 0.337 123.156 122.820 -0.002 0.000 2.014 167 A HA 0.234 4.554 4.320 0.000 0.000 0.218 167 A C 2.301 180.043 177.584 0.263 0.000 1.163 167 A CA 0.743 52.829 52.037 0.083 0.000 0.652 167 A CB -0.246 18.831 19.000 0.127 0.000 0.808 167 A HN 0.347 nan 8.150 nan 0.000 0.449 168 L N -1.298 120.025 121.223 0.167 0.000 2.291 168 L HA -0.025 4.315 4.340 0.000 0.000 0.214 168 L C 2.364 179.341 176.870 0.178 0.000 1.120 168 L CA 0.798 55.744 54.840 0.176 0.000 0.799 168 L CB -0.102 41.994 42.059 0.062 0.000 0.925 168 L HN 0.410 nan 8.230 nan 0.000 0.446 169 A N -0.686 122.203 122.820 0.115 0.000 2.430 169 A HA 0.293 4.613 4.320 0.000 0.000 0.243 169 A C 0.757 178.375 177.584 0.057 0.000 1.254 169 A CA -0.433 51.650 52.037 0.076 0.000 0.914 169 A CB -0.064 18.947 19.000 0.017 0.000 0.998 169 A HN 0.156 nan 8.150 nan 0.000 0.515 170 L N 1.147 122.393 121.223 0.039 0.000 2.578 170 L HA 0.046 4.386 4.340 0.000 0.000 0.279 170 L C -0.900 175.951 176.870 -0.033 0.000 1.227 170 L CA -0.887 53.870 54.840 -0.138 0.000 0.900 170 L CB 0.671 42.389 42.059 -0.569 0.000 1.144 170 L HN 0.233 nan 8.230 nan 0.000 0.496 171 P HA -0.028 nan 4.420 nan 0.000 0.240 171 P C -0.278 177.016 177.300 -0.010 0.000 1.190 171 P CA 0.713 63.807 63.100 -0.010 0.000 0.781 171 P CB 0.358 32.044 31.700 -0.024 0.000 0.931 172 R N -1.919 118.530 120.500 -0.084 0.000 2.710 172 R HA 0.502 4.842 4.340 0.000 0.000 0.270 172 R C -1.376 174.815 176.300 -0.181 0.000 1.021 172 R CA -0.959 55.102 56.100 -0.066 0.000 0.889 172 R CB 0.816 31.080 30.300 -0.060 0.000 1.243 172 R HN -0.346 nan 8.270 nan 0.000 0.464 173 V N 3.051 122.931 119.914 -0.058 0.000 2.479 173 V HA 0.209 4.329 4.120 0.000 0.000 0.281 173 V C -1.543 174.462 176.094 -0.148 0.000 1.031 173 V CA -0.981 61.282 62.300 -0.063 0.000 1.038 173 V CB 0.335 32.220 31.823 0.103 0.000 0.981 173 V HN 0.728 nan 8.190 nan 0.000 0.478 174 P HA 0.245 nan 4.420 nan 0.000 0.274 174 P C 0.270 177.518 177.300 -0.087 0.000 1.231 174 P CA -0.511 62.478 63.100 -0.185 0.000 0.790 174 P CB 1.549 33.097 31.700 -0.254 0.000 0.951 175 K N 0.005 120.367 120.400 -0.064 0.000 2.062 175 K HA 0.002 4.322 4.320 0.000 0.000 0.205 175 K C 0.875 177.460 176.600 -0.024 0.000 1.051 175 K CA 1.385 57.653 56.287 -0.032 0.000 0.941 175 K CB -0.090 32.394 32.500 -0.027 0.000 0.719 175 K HN 0.693 nan 8.250 nan 0.000 0.440 176 T N -1.913 112.619 114.554 -0.037 0.000 2.909 176 T HA 0.606 4.956 4.350 0.000 0.000 0.299 176 T C -0.789 173.886 174.700 -0.042 0.000 1.073 176 T CA -0.978 61.105 62.100 -0.028 0.000 0.999 176 T CB 1.995 70.850 68.868 -0.022 0.000 1.098 176 T HN 0.040 nan 8.240 nan 0.000 0.477 177 M N 2.640 122.221 119.600 -0.030 0.000 2.322 177 M HA 0.644 5.124 4.480 0.000 0.000 0.286 177 M C -2.256 174.034 176.300 -0.017 0.000 1.111 177 M CA -0.710 54.570 55.300 -0.033 0.000 0.941 177 M CB 2.065 34.644 32.600 -0.035 0.000 1.671 177 M HN 0.601 nan 8.290 nan 0.000 0.470 178 V N 4.528 124.436 119.914 -0.010 0.000 2.581 178 V HA 0.653 4.773 4.120 0.000 0.000 0.303 178 V C -0.783 175.321 176.094 0.016 0.000 1.041 178 V CA -0.653 61.647 62.300 -0.000 0.000 0.907 178 V CB 2.012 33.840 31.823 0.009 0.000 0.994 178 V HN 0.699 nan 8.190 nan 0.000 0.442 179 V N 5.864 125.789 119.914 0.019 0.000 2.409 179 V HA 0.478 4.598 4.120 0.000 0.000 0.291 179 V C -0.204 175.926 176.094 0.059 0.000 1.020 179 V CA -0.403 61.924 62.300 0.045 0.000 0.848 179 V CB 1.695 33.545 31.823 0.045 0.000 0.990 179 V HN 0.655 nan 8.190 nan 0.000 0.430 180 I N 4.603 125.217 120.570 0.073 0.000 2.297 180 I HA 0.674 4.844 4.170 0.000 0.000 0.291 180 I C 0.767 176.943 176.117 0.098 0.000 1.033 180 I CA -0.007 61.345 61.300 0.085 0.000 1.253 180 I CB 1.145 39.191 38.000 0.075 0.000 1.396 180 I HN 0.874 nan 8.210 nan 0.000 0.476 181 G N 3.751 112.620 108.800 0.115 0.000 3.199 181 G HA2 -0.040 3.920 3.960 0.000 0.000 0.680 181 G HA3 -0.040 3.920 3.960 0.000 0.000 0.680 181 G C 0.071 175.048 174.900 0.128 0.000 1.197 181 G CA -0.552 44.622 45.100 0.123 0.000 1.143 181 G HN 0.994 nan 8.290 nan 0.000 0.492 182 G N 0.765 109.653 108.800 0.145 0.000 3.530 182 G HA2 0.624 4.584 3.960 0.000 0.000 0.269 182 G HA3 0.624 4.584 3.960 0.000 0.000 0.269 182 G C 0.906 175.887 174.900 0.135 0.000 1.314 182 G CA 0.886 46.084 45.100 0.164 0.000 1.441 182 G HN 1.190 nan 8.290 nan 0.000 0.595 183 G N -0.787 108.084 108.800 0.118 0.000 2.532 183 G HA2 0.335 4.295 3.960 0.000 0.000 0.291 183 G HA3 0.335 4.295 3.960 0.000 0.000 0.291 183 G C 1.181 176.140 174.900 0.099 0.000 1.349 183 G CA -0.072 45.090 45.100 0.102 0.000 1.038 183 G HN 0.049 nan 8.290 nan 0.000 0.518 184 V N 0.096 120.065 119.914 0.091 0.000 2.282 184 V HA -0.219 3.901 4.120 0.000 0.000 0.249 184 V C 2.808 178.959 176.094 0.095 0.000 1.057 184 V CA 1.863 64.219 62.300 0.092 0.000 1.032 184 V CB -0.772 31.109 31.823 0.097 0.000 0.645 184 V HN 0.568 nan 8.190 nan 0.000 0.447 185 I N 0.634 121.258 120.570 0.089 0.000 2.252 185 I HA -0.143 4.027 4.170 0.000 0.000 0.245 185 I C 2.612 178.779 176.117 0.084 0.000 1.102 185 I CA 1.675 63.023 61.300 0.080 0.000 1.385 185 I CB -0.912 37.130 38.000 0.069 0.000 1.064 185 I HN 0.402 nan 8.210 nan 0.000 0.414 186 G N 0.992 109.848 108.800 0.093 0.000 2.418 186 G HA2 -0.182 3.778 3.960 0.000 0.000 0.217 186 G HA3 -0.182 3.778 3.960 0.000 0.000 0.217 186 G C 1.700 176.660 174.900 0.100 0.000 1.158 186 G CA 0.520 45.679 45.100 0.098 0.000 0.771 186 G HN 0.260 nan 8.290 nan 0.000 0.545 187 L N -0.029 121.260 121.223 0.110 0.000 2.056 187 L HA -0.026 4.314 4.340 0.000 0.000 0.207 187 L C 2.896 179.817 176.870 0.084 0.000 1.078 187 L CA 1.174 56.084 54.840 0.117 0.000 0.749 187 L CB -0.435 41.703 42.059 0.131 0.000 0.901 187 L HN 0.291 nan 8.230 nan 0.000 0.433 188 E N -0.050 120.196 120.200 0.077 0.000 2.047 188 E HA -0.211 4.139 4.350 0.000 0.000 0.191 188 E C 2.180 178.795 176.600 0.025 0.000 0.987 188 E CA 0.921 57.354 56.400 0.054 0.000 0.799 188 E CB -0.062 29.679 29.700 0.068 0.000 0.752 188 E HN 0.212 nan 8.360 nan 0.000 0.449 189 L N 0.412 121.665 121.223 0.050 0.000 2.093 189 L HA -0.053 4.287 4.340 0.000 0.000 0.208 189 L C 2.360 179.298 176.870 0.113 0.000 1.085 189 L CA 1.753 56.635 54.840 0.069 0.000 0.755 189 L CB -1.107 41.026 42.059 0.123 0.000 0.904 189 L HN 0.160 nan 8.230 nan 0.000 0.435 190 G N -1.941 106.921 108.800 0.104 0.000 2.408 190 G HA2 -0.214 3.746 3.960 0.000 0.000 0.217 190 G HA3 -0.214 3.746 3.960 0.000 0.000 0.217 190 G C 1.707 176.643 174.900 0.059 0.000 1.150 190 G CA 0.930 46.092 45.100 0.103 0.000 0.776 190 G HN 0.425 nan 8.290 nan 0.000 0.542 191 S N 0.060 115.771 115.700 0.018 0.000 2.368 191 S HA -0.109 4.361 4.470 0.000 0.000 0.225 191 S C 2.512 177.063 174.600 -0.082 0.000 1.030 191 S CA 1.062 59.250 58.200 -0.019 0.000 0.999 191 S CB -0.264 62.923 63.200 -0.020 0.000 0.844 191 S HN 0.191 nan 8.310 nan 0.000 0.459 192 V N 0.477 120.285 119.914 -0.176 0.000 2.231 192 V HA -0.241 3.880 4.120 0.000 0.000 0.248 192 V C 1.940 177.761 176.094 -0.455 0.000 1.054 192 V CA 1.879 63.934 62.300 -0.408 0.000 1.015 192 V CB -0.830 30.574 31.823 -0.698 0.000 0.638 192 V HN 0.632 nan 8.190 nan 0.000 0.444 193 W N -0.396 120.888 121.300 -0.028 0.000 2.436 193 W HA 0.103 4.763 4.660 0.000 0.000 0.284 193 W C 2.554 179.052 176.519 -0.035 0.000 1.225 193 W CA 0.750 58.071 57.345 -0.040 0.000 1.271 193 W CB -0.493 28.944 29.460 -0.037 0.000 1.114 193 W HN 0.179 nan 8.180 nan 0.000 0.559 194 A N 1.002 123.904 122.820 0.136 0.000 1.933 194 A HA -0.186 4.134 4.320 0.000 0.000 0.218 194 A C 1.915 179.539 177.584 0.066 0.000 1.175 194 A CA 1.482 53.568 52.037 0.080 0.000 0.628 194 A CB -0.660 18.362 19.000 0.035 0.000 0.814 194 A HN 0.301 nan 8.150 nan 0.000 0.444 195 R N -0.625 119.896 120.500 0.035 0.000 2.120 195 R HA 0.017 4.357 4.340 0.000 0.000 0.234 195 R C 1.342 177.706 176.300 0.108 0.000 1.123 195 R CA 1.188 57.339 56.100 0.086 0.000 0.975 195 R CB -0.356 29.980 30.300 0.059 0.000 0.866 195 R HN 0.489 nan 8.270 nan 0.000 0.446 196 L N -0.917 120.304 121.223 -0.004 0.000 2.591 196 L HA 0.206 4.546 4.340 0.000 0.000 0.228 196 L C 1.149 178.022 176.870 0.006 0.000 1.133 196 L CA 0.411 55.188 54.840 -0.105 0.000 0.880 196 L CB 0.517 42.501 42.059 -0.124 0.000 1.033 196 L HN 0.498 nan 8.230 nan 0.000 0.450 197 G N -0.577 108.261 108.800 0.064 0.000 2.336 197 G HA2 -0.180 3.780 3.960 0.000 0.000 0.194 197 G HA3 -0.180 3.780 3.960 0.000 0.000 0.194 197 G C 0.406 175.342 174.900 0.059 0.000 0.999 197 G CA -0.210 44.925 45.100 0.058 0.000 0.669 197 G HN 0.370 nan 8.290 nan 0.000 0.482 198 A N 0.586 123.458 122.820 0.088 0.000 2.462 198 A HA 0.571 4.891 4.320 0.000 0.000 0.243 198 A C 0.330 177.940 177.584 0.044 0.000 1.076 198 A CA 0.289 52.365 52.037 0.065 0.000 0.773 198 A CB 0.184 19.242 19.000 0.097 0.000 1.010 198 A HN 0.415 nan 8.150 nan 0.000 0.493 199 E N 1.164 121.375 120.200 0.018 0.000 2.105 199 E HA 0.367 4.717 4.350 0.000 0.000 0.285 199 E C -1.027 175.568 176.600 -0.008 0.000 1.055 199 E CA -0.235 56.168 56.400 0.004 0.000 0.843 199 E CB 1.053 30.751 29.700 -0.002 0.000 1.067 199 E HN 0.368 nan 8.360 nan 0.000 0.398 200 V N 3.553 123.453 119.914 -0.023 0.000 2.435 200 V HA 0.286 4.406 4.120 0.000 0.000 0.290 200 V C 0.093 176.119 176.094 -0.113 0.000 1.030 200 V CA -0.540 61.731 62.300 -0.047 0.000 0.881 200 V CB 1.971 33.775 31.823 -0.031 0.000 0.983 200 V HN 0.631 nan 8.190 nan 0.000 0.445 201 T N 4.150 118.643 114.554 -0.101 0.000 2.812 201 T HA 0.541 4.891 4.350 0.000 0.000 0.282 201 T C -0.454 174.168 174.700 -0.130 0.000 0.990 201 T CA -0.358 61.661 62.100 -0.135 0.000 0.960 201 T CB 1.645 70.475 68.868 -0.063 0.000 0.948 201 T HN 0.334 nan 8.240 nan 0.000 0.438 202 V N 4.097 123.883 119.914 -0.213 0.000 2.394 202 V HA 0.453 4.573 4.120 0.000 0.000 0.282 202 V C -0.130 175.985 176.094 0.035 0.000 1.031 202 V CA -0.679 61.570 62.300 -0.085 0.000 0.881 202 V CB 1.633 33.391 31.823 -0.107 0.000 0.982 202 V HN 0.689 nan 8.190 nan 0.000 0.451 203 V N 4.275 124.233 119.914 0.074 0.000 2.384 203 V HA 0.579 4.699 4.120 0.000 0.000 0.287 203 V C -0.322 175.855 176.094 0.138 0.000 1.020 203 V CA -0.475 61.887 62.300 0.104 0.000 0.850 203 V CB 1.590 33.468 31.823 0.092 0.000 0.987 203 V HN 0.964 nan 8.190 nan 0.000 0.436 204 E N 2.939 123.232 120.200 0.155 0.000 2.256 204 E HA 0.371 4.721 4.350 0.000 0.000 0.268 204 E C -0.087 176.621 176.600 0.181 0.000 0.877 204 E CA -0.680 55.823 56.400 0.172 0.000 0.757 204 E CB 1.641 31.436 29.700 0.158 0.000 1.183 204 E HN 0.411 nan 8.360 nan 0.000 0.418 205 F N 3.646 123.638 119.950 0.069 0.000 2.206 205 F HA 0.278 4.805 4.527 0.000 0.000 0.298 205 F C 0.895 176.725 175.800 0.051 0.000 1.090 205 F CA 0.954 58.989 58.000 0.058 0.000 1.323 205 F CB 0.115 39.149 39.000 0.057 0.000 1.028 205 F HN 0.565 nan 8.300 nan 0.000 0.492 206 A N 0.667 123.481 122.820 -0.011 0.000 2.386 206 A HA 0.209 4.529 4.320 0.000 0.000 0.246 206 A C -1.551 175.964 177.584 -0.116 0.000 1.089 206 A CA -0.823 51.148 52.037 -0.110 0.000 0.790 206 A CB -0.589 18.430 19.000 0.031 0.000 1.042 206 A HN 0.211 nan 8.150 nan 0.000 0.497 207 P HA -0.097 nan 4.420 nan 0.000 0.219 207 P C 0.080 177.353 177.300 -0.044 0.000 1.146 207 P CA 1.532 64.582 63.100 -0.083 0.000 0.808 207 P CB 0.082 31.739 31.700 -0.071 0.000 0.779 208 R N -3.391 117.092 120.500 -0.028 0.000 2.764 208 R HA 0.537 4.877 4.340 0.000 0.000 0.270 208 R C -1.026 175.276 176.300 0.003 0.000 1.014 208 R CA -0.874 55.211 56.100 -0.024 0.000 0.904 208 R CB 0.145 30.421 30.300 -0.040 0.000 1.236 208 R HN -0.244 nan 8.270 nan 0.000 0.466 209 C N 0.740 120.036 119.300 -0.007 0.000 2.705 209 C HA 0.432 4.893 4.460 0.000 0.000 0.382 209 C C 1.175 176.182 174.990 0.028 0.000 1.322 209 C CA 1.031 60.072 59.018 0.038 0.000 2.290 209 C CB 0.348 28.109 27.740 0.035 0.000 2.650 209 C HN 1.034 nan 8.230 nan 0.000 0.695 210 A N 2.184 125.037 122.820 0.055 0.000 2.208 210 A HA -0.152 4.168 4.320 0.000 0.000 0.277 210 A C -1.194 176.411 177.584 0.035 0.000 1.377 210 A CA 0.687 52.753 52.037 0.049 0.000 0.758 210 A CB -1.354 17.669 19.000 0.038 0.000 1.122 210 A HN 0.810 nan 8.150 nan 0.000 0.350 211 P HA -0.103 nan 4.420 nan 0.000 0.223 211 P C 1.484 178.800 177.300 0.027 0.000 1.144 211 P CA 1.690 64.809 63.100 0.031 0.000 0.783 211 P CB 0.003 31.731 31.700 0.047 0.000 0.771 212 T N -0.834 113.742 114.554 0.036 0.000 2.995 212 T HA 0.041 4.391 4.350 0.000 0.000 0.269 212 T C 0.798 175.512 174.700 0.023 0.000 1.091 212 T CA 0.587 62.707 62.100 0.035 0.000 1.128 212 T CB -0.403 68.494 68.868 0.048 0.000 0.891 212 T HN 0.026 nan 8.240 nan 0.000 0.492 213 L N 1.148 122.381 121.223 0.016 0.000 2.375 213 L HA 0.372 4.712 4.340 0.000 0.000 0.268 213 L C 0.230 177.078 176.870 -0.037 0.000 1.058 213 L CA -1.149 53.688 54.840 -0.006 0.000 0.803 213 L CB 0.657 42.723 42.059 0.012 0.000 1.212 213 L HN 0.006 nan 8.230 nan 0.000 0.451 214 D N 0.618 120.965 120.400 -0.088 0.000 2.368 214 D HA -0.050 4.590 4.640 0.000 0.000 0.240 214 D C 0.816 177.103 176.300 -0.022 0.000 1.169 214 D CA 0.119 54.074 54.000 -0.076 0.000 0.906 214 D CB 1.127 41.850 40.800 -0.128 0.000 1.187 214 D HN 0.575 nan 8.370 nan 0.000 0.435 215 E N 0.557 120.749 120.200 -0.014 0.000 2.110 215 E HA -0.212 4.138 4.350 0.000 0.000 0.193 215 E C 1.114 177.730 176.600 0.028 0.000 0.988 215 E CA 1.206 57.605 56.400 -0.002 0.000 0.804 215 E CB 0.222 29.917 29.700 -0.008 0.000 0.745 215 E HN 0.455 nan 8.360 nan 0.000 0.458 216 D N -0.051 120.378 120.400 0.049 0.000 2.178 216 D HA -0.149 4.491 4.640 0.000 0.000 0.201 216 D C 1.971 178.441 176.300 0.284 0.000 0.980 216 D CA 0.872 54.937 54.000 0.109 0.000 0.842 216 D CB -0.490 40.315 40.800 0.009 0.000 0.948 216 D HN 0.191 nan 8.370 nan 0.000 0.472 217 V N 1.302 121.364 119.914 0.246 0.000 2.283 217 V HA -0.208 3.912 4.120 0.000 0.000 0.243 217 V C 2.883 179.006 176.094 0.049 0.000 1.039 217 V CA 2.382 64.780 62.300 0.164 0.000 1.016 217 V CB -1.123 30.742 31.823 0.070 0.000 0.650 217 V HN 0.494 nan 8.190 nan 0.000 0.449 218 T N -1.850 112.717 114.554 0.021 0.000 2.915 218 T HA -0.177 4.173 4.350 0.000 0.000 0.269 218 T C 1.656 176.330 174.700 -0.043 0.000 1.071 218 T CA 1.754 63.840 62.100 -0.024 0.000 1.132 218 T CB -0.603 68.244 68.868 -0.035 0.000 0.878 218 T HN 0.400 nan 8.240 nan 0.000 0.479 219 N N 1.854 120.551 118.700 -0.005 0.000 2.120 219 N HA 0.072 4.812 4.740 0.000 0.000 0.188 219 N C 2.147 177.662 175.510 0.009 0.000 1.024 219 N CA 1.444 54.487 53.050 -0.012 0.000 0.852 219 N CB -0.568 37.932 38.487 0.021 0.000 1.003 219 N HN 0.568 nan 8.380 nan 0.000 0.424 220 A N 0.088 122.951 122.820 0.071 0.000 1.902 220 A HA -0.092 4.228 4.320 0.000 0.000 0.217 220 A C 2.083 179.669 177.584 0.003 0.000 1.181 220 A CA 1.071 53.154 52.037 0.077 0.000 0.623 220 A CB -0.748 18.329 19.000 0.128 0.000 0.818 220 A HN 0.334 nan 8.150 nan 0.000 0.443 221 L N -0.153 121.051 121.223 -0.031 0.000 2.005 221 L HA -0.055 4.286 4.340 0.000 0.000 0.207 221 L C 2.330 179.168 176.870 -0.053 0.000 1.072 221 L CA 1.908 56.722 54.840 -0.044 0.000 0.744 221 L CB -0.595 41.435 42.059 -0.047 0.000 0.895 221 L HN 0.126 nan 8.230 nan 0.000 0.433 222 V N 0.299 120.133 119.914 -0.133 0.000 2.594 222 V HA -0.167 3.953 4.120 0.000 0.000 0.253 222 V C 2.572 178.585 176.094 -0.136 0.000 1.069 222 V CA 1.565 63.693 62.300 -0.287 0.000 1.082 222 V CB -1.485 29.980 31.823 -0.596 0.000 0.680 222 V HN 0.649 nan 8.190 nan 0.000 0.469 223 G N -0.390 108.371 108.800 -0.065 0.000 2.408 223 G HA2 -0.149 3.811 3.960 0.000 0.000 0.217 223 G HA3 -0.149 3.811 3.960 0.000 0.000 0.217 223 G C 1.741 176.663 174.900 0.037 0.000 1.150 223 G CA 0.943 46.041 45.100 -0.002 0.000 0.776 223 G HN 0.589 nan 8.290 nan 0.000 0.542 224 A N 0.604 123.442 122.820 0.030 0.000 1.897 224 A HA 0.176 4.496 4.320 0.000 0.000 0.215 224 A C 2.404 180.026 177.584 0.064 0.000 1.181 224 A CA 1.014 53.077 52.037 0.042 0.000 0.620 224 A CB -0.378 18.634 19.000 0.020 0.000 0.821 224 A HN 0.328 nan 8.150 nan 0.000 0.443 225 L N -0.720 120.559 121.223 0.094 0.000 2.083 225 L HA -0.199 4.141 4.340 0.000 0.000 0.209 225 L C 3.030 180.025 176.870 0.208 0.000 1.083 225 L CA 1.055 55.994 54.840 0.165 0.000 0.752 225 L CB -0.533 41.719 42.059 0.322 0.000 0.899 225 L HN 0.449 nan 8.230 nan 0.000 0.433 226 A N -0.267 122.701 122.820 0.247 0.000 1.968 226 A HA -0.199 4.121 4.320 0.000 0.000 0.217 226 A C 2.432 180.095 177.584 0.132 0.000 1.169 226 A CA 1.571 53.748 52.037 0.234 0.000 0.638 226 A CB -0.278 18.856 19.000 0.223 0.000 0.812 226 A HN 0.300 nan 8.150 nan 0.000 0.446 227 K N -0.794 119.669 120.400 0.106 0.000 2.098 227 K HA -0.071 4.249 4.320 0.000 0.000 0.203 227 K C 1.401 178.060 176.600 0.098 0.000 1.051 227 K CA 1.197 57.538 56.287 0.089 0.000 0.957 227 K CB -0.082 32.465 32.500 0.078 0.000 0.738 227 K HN 0.428 nan 8.250 nan 0.000 0.447 228 N N 0.721 119.474 118.700 0.088 0.000 2.333 228 N HA -0.066 4.674 4.740 0.000 0.000 0.183 228 N C 1.300 176.845 175.510 0.058 0.000 1.030 228 N CA 1.031 54.140 53.050 0.098 0.000 0.867 228 N CB -0.013 38.472 38.487 -0.003 0.000 1.027 228 N HN 0.142 nan 8.380 nan 0.000 0.435 229 E N 1.048 121.249 120.200 0.001 0.000 2.435 229 E HA 0.094 4.444 4.350 0.000 0.000 0.195 229 E C -0.208 176.417 176.600 0.042 0.000 1.029 229 E CA 0.129 56.532 56.400 0.005 0.000 0.865 229 E CB 0.135 29.826 29.700 -0.014 0.000 0.833 229 E HN 0.075 nan 8.360 nan 0.000 0.510 230 K N -0.303 120.134 120.400 0.061 0.000 3.129 230 K HA -0.219 4.101 4.320 0.000 0.000 0.273 230 K C -0.445 176.164 176.600 0.016 0.000 1.123 230 K CA 0.756 57.075 56.287 0.055 0.000 0.800 230 K CB -2.629 29.902 32.500 0.050 0.000 1.238 230 K HN 0.315 nan 8.250 nan 0.000 0.492 231 M N 0.651 120.249 119.600 -0.003 0.000 2.242 231 M HA 0.147 4.628 4.480 0.000 0.000 0.344 231 M C 0.679 176.840 176.300 -0.233 0.000 1.140 231 M CA 0.316 55.512 55.300 -0.174 0.000 1.160 231 M CB 0.929 33.345 32.600 -0.307 0.000 1.491 231 M HN 0.050 nan 8.290 nan 0.000 0.459 232 K N 2.170 122.372 120.400 -0.329 0.000 2.182 232 K HA 0.572 4.892 4.320 0.000 0.000 0.262 232 K C -1.825 174.527 176.600 -0.413 0.000 0.957 232 K CA -0.396 55.774 56.287 -0.195 0.000 0.842 232 K CB 0.980 33.430 32.500 -0.083 0.000 1.099 232 K HN 0.434 nan 8.250 nan 0.000 0.438 233 F N 3.462 123.431 119.950 0.031 0.000 2.520 233 F HA 0.458 4.985 4.527 0.000 0.000 0.322 233 F C -0.074 175.744 175.800 0.030 0.000 1.103 233 F CA -0.813 57.207 58.000 0.033 0.000 0.926 233 F CB 1.943 40.961 39.000 0.030 0.000 1.154 233 F HN 0.216 nan 8.300 nan 0.000 0.453 234 M N 3.755 123.468 119.600 0.188 0.000 1.999 234 M HA 0.285 4.765 4.480 0.000 0.000 0.299 234 M C -0.488 175.887 176.300 0.125 0.000 0.900 234 M CA -0.540 54.834 55.300 0.124 0.000 0.904 234 M CB 1.536 34.185 32.600 0.081 0.000 1.477 234 M HN 0.719 nan 8.290 nan 0.000 0.403 235 T N -1.867 112.749 114.554 0.104 0.000 2.897 235 T HA 0.451 4.801 4.350 0.000 0.000 0.278 235 T C 0.817 175.525 174.700 0.013 0.000 0.981 235 T CA -0.630 61.508 62.100 0.064 0.000 0.973 235 T CB 1.260 70.151 68.868 0.038 0.000 1.092 235 T HN 0.623 nan 8.240 nan 0.000 0.543 236 S N -0.140 115.527 115.700 -0.056 0.000 3.521 236 S HA -0.135 4.336 4.470 0.000 0.000 0.362 236 S C 0.132 174.704 174.600 -0.047 0.000 1.044 236 S CA 0.881 58.999 58.200 -0.137 0.000 1.091 236 S CB -2.109 61.025 63.200 -0.111 0.000 0.908 236 S HN 1.028 nan 8.310 nan 0.000 0.473 237 T N 1.158 115.736 114.554 0.040 0.000 2.824 237 T HA 0.557 4.907 4.350 0.000 0.000 0.282 237 T C -0.231 174.602 174.700 0.222 0.000 0.993 237 T CA -0.739 61.426 62.100 0.108 0.000 0.967 237 T CB 1.826 70.750 68.868 0.094 0.000 0.960 237 T HN 0.192 nan 8.240 nan 0.000 0.441 238 K N 2.107 122.644 120.400 0.228 0.000 2.138 238 K HA 0.627 4.947 4.320 0.000 0.000 0.263 238 K C -1.005 175.678 176.600 0.139 0.000 0.965 238 K CA -0.688 55.748 56.287 0.249 0.000 0.868 238 K CB 1.109 33.754 32.500 0.242 0.000 1.083 238 K HN 0.349 nan 8.250 nan 0.000 0.443 239 V N 5.796 125.788 119.914 0.130 0.000 2.383 239 V HA 0.128 4.248 4.120 0.000 0.000 0.275 239 V C 0.789 176.916 176.094 0.055 0.000 1.036 239 V CA -0.287 62.086 62.300 0.123 0.000 0.889 239 V CB 1.106 33.049 31.823 0.199 0.000 0.985 239 V HN 0.749 nan 8.190 nan 0.000 0.459 240 V N 1.966 121.848 119.914 -0.052 0.000 3.661 240 V HA 0.763 4.883 4.120 0.000 0.000 0.271 240 V C 0.695 176.500 176.094 -0.482 0.000 1.315 240 V CA 0.788 62.959 62.300 -0.215 0.000 1.072 240 V CB 0.062 31.810 31.823 -0.126 0.000 0.830 240 V HN 0.923 nan 8.190 nan 0.000 0.443 241 G N -1.677 106.898 108.800 -0.375 0.000 2.451 241 G HA2 0.677 4.638 3.960 0.000 0.000 0.292 241 G HA3 0.677 4.638 3.960 0.000 0.000 0.292 241 G C -0.749 174.141 174.900 -0.016 0.000 1.427 241 G CA 0.027 44.873 45.100 -0.423 0.000 0.792 241 G HN 1.085 nan 8.290 nan 0.000 0.498 242 G N -1.760 107.093 108.800 0.088 0.000 2.466 242 G HA2 0.685 4.645 3.960 0.000 0.000 0.291 242 G HA3 0.685 4.645 3.960 0.000 0.000 0.291 242 G C -1.396 173.568 174.900 0.107 0.000 1.460 242 G CA 0.061 45.241 45.100 0.134 0.000 0.791 242 G HN 1.040 nan 8.290 nan 0.000 0.505 243 T N 0.921 115.514 114.554 0.066 0.000 2.971 243 T HA 0.418 4.769 4.350 0.000 0.000 0.304 243 T C -0.714 174.003 174.700 0.029 0.000 1.038 243 T CA -0.755 61.371 62.100 0.043 0.000 1.007 243 T CB 1.677 70.560 68.868 0.025 0.000 1.055 243 T HN 0.577 nan 8.240 nan 0.000 0.451 244 N N 2.597 121.309 118.700 0.020 0.000 2.420 244 N HA 0.138 4.878 4.740 0.000 0.000 0.249 244 N C 0.180 175.693 175.510 0.006 0.000 1.033 244 N CA -0.408 52.647 53.050 0.009 0.000 0.944 244 N CB 0.515 39.003 38.487 0.002 0.000 1.113 244 N HN 0.433 nan 8.380 nan 0.000 0.502 245 N N 2.820 121.521 118.700 0.003 0.000 2.322 245 N HA 0.109 4.849 4.740 0.000 0.000 0.194 245 N C 1.186 176.694 175.510 -0.004 0.000 1.126 245 N CA 0.602 53.652 53.050 -0.000 0.000 0.845 245 N CB 0.539 39.025 38.487 -0.001 0.000 0.976 245 N HN 0.815 nan 8.380 nan 0.000 0.475 246 G N 2.279 111.076 108.800 -0.005 0.000 2.729 246 G HA2 -0.319 3.642 3.960 0.000 0.000 0.216 246 G HA3 -0.319 3.642 3.960 0.000 0.000 0.216 246 G C 0.452 175.344 174.900 -0.013 0.000 1.252 246 G CA 0.555 45.650 45.100 -0.008 0.000 0.751 246 G HN 0.517 nan 8.290 nan 0.000 0.527 247 D N 0.314 120.705 120.400 -0.015 0.000 2.469 247 D HA 0.449 5.089 4.640 0.000 0.000 0.213 247 D C 0.854 177.140 176.300 -0.024 0.000 1.135 247 D CA 1.208 55.195 54.000 -0.022 0.000 0.834 247 D CB 0.153 40.941 40.800 -0.021 0.000 1.009 247 D HN 1.350 nan 8.370 nan 0.000 0.507 248 S N -1.450 114.240 115.700 -0.018 0.000 2.636 248 S HA 0.682 5.152 4.470 0.000 0.000 0.268 248 S C -1.386 173.209 174.600 -0.009 0.000 1.159 248 S CA -0.806 57.384 58.200 -0.017 0.000 0.815 248 S CB 1.787 64.978 63.200 -0.014 0.000 1.130 248 S HN -0.048 nan 8.310 nan 0.000 0.471 249 V N 1.286 121.197 119.914 -0.006 0.000 2.735 249 V HA 0.742 4.862 4.120 0.000 0.000 0.310 249 V C -0.616 175.484 176.094 0.010 0.000 1.061 249 V CA -0.594 61.709 62.300 0.005 0.000 0.913 249 V CB 2.215 34.042 31.823 0.007 0.000 1.005 249 V HN 0.988 nan 8.190 nan 0.000 0.428 250 S N 4.861 120.572 115.700 0.018 0.000 2.456 250 S HA 0.671 5.141 4.470 0.000 0.000 0.316 250 S C -0.714 173.906 174.600 0.033 0.000 1.089 250 S CA -0.457 57.754 58.200 0.019 0.000 1.101 250 S CB 1.050 64.258 63.200 0.014 0.000 0.995 250 S HN 0.519 nan 8.310 nan 0.000 0.468 251 L N 2.929 124.173 121.223 0.035 0.000 2.329 251 L HA 0.514 4.854 4.340 0.000 0.000 0.279 251 L C -0.259 176.634 176.870 0.037 0.000 1.014 251 L CA -0.461 54.411 54.840 0.053 0.000 0.814 251 L CB 1.714 43.808 42.059 0.059 0.000 1.257 251 L HN 0.610 nan 8.230 nan 0.000 0.424 252 E N 3.105 123.323 120.200 0.030 0.000 2.151 252 E HA 0.461 4.811 4.350 0.000 0.000 0.275 252 E C -1.028 175.582 176.600 0.016 0.000 0.936 252 E CA -0.444 55.960 56.400 0.008 0.000 0.777 252 E CB 2.486 32.172 29.700 -0.023 0.000 1.108 252 E HN 0.381 nan 8.360 nan 0.000 0.401 253 V N 0.222 120.150 119.914 0.025 0.000 3.126 253 V HA 0.755 4.876 4.120 0.000 0.000 0.314 253 V C -0.795 175.320 176.094 0.034 0.000 1.138 253 V CA -0.935 61.389 62.300 0.041 0.000 1.034 253 V CB 1.999 33.856 31.823 0.056 0.000 1.075 253 V HN 0.816 nan 8.190 nan 0.000 0.442 254 E N 0.787 121.017 120.200 0.050 0.000 2.335 254 E HA 0.740 5.090 4.350 0.000 0.000 0.280 254 E C -0.511 176.124 176.600 0.058 0.000 0.918 254 E CA -0.523 55.903 56.400 0.044 0.000 0.765 254 E CB 1.671 31.391 29.700 0.033 0.000 1.218 254 E HN 1.171 nan 8.360 nan 0.000 0.425 260 R N 1.950 122.456 120.500 0.010 0.000 2.541 260 R HA 0.402 4.743 4.340 0.000 0.000 0.263 260 R C -0.565 175.741 176.300 0.010 0.000 1.112 260 R CA -0.534 55.571 56.100 0.008 0.000 1.170 260 R CB 1.198 31.498 30.300 0.000 0.000 1.167 260 R HN 0.771 nan 8.270 nan 0.000 0.582 261 E N -0.709 119.497 120.200 0.010 0.000 2.419 261 E HA 0.138 4.488 4.350 0.000 0.000 0.285 261 E C -1.877 174.730 176.600 0.012 0.000 1.079 261 E CA -0.270 56.138 56.400 0.012 0.000 0.864 261 E CB 1.813 31.523 29.700 0.018 0.000 1.216 261 E HN 0.431 nan 8.360 nan 0.000 0.428 262 T N 2.125 116.686 114.554 0.011 0.000 2.792 262 T HA 0.541 4.891 4.350 0.000 0.000 0.280 262 T C -0.860 173.848 174.700 0.013 0.000 0.990 262 T CA -0.583 61.524 62.100 0.011 0.000 0.960 262 T CB 1.034 69.906 68.868 0.007 0.000 0.939 262 T HN 0.294 nan 8.240 nan 0.000 0.439 263 V N 2.321 122.245 119.914 0.017 0.000 2.513 263 V HA 0.687 4.807 4.120 0.000 0.000 0.299 263 V C 0.205 176.306 176.094 0.012 0.000 1.035 263 V CA -0.848 61.461 62.300 0.015 0.000 0.889 263 V CB 1.748 33.582 31.823 0.018 0.000 0.988 263 V HN 0.850 nan 8.190 nan 0.000 0.440 264 T N 3.495 118.053 114.554 0.006 0.000 2.807 264 T HA 0.661 5.011 4.350 0.000 0.000 0.279 264 T C -0.349 174.349 174.700 -0.003 0.000 0.993 264 T CA -0.314 61.788 62.100 0.002 0.000 0.970 264 T CB 0.992 69.860 68.868 0.000 0.000 0.950 264 T HN 1.174 nan 8.240 nan 0.000 0.441 265 C N 1.547 120.843 119.300 -0.007 0.000 3.173 265 C HA 0.610 5.070 4.460 0.000 0.000 0.310 265 C C 1.380 176.355 174.990 -0.025 0.000 1.306 265 C CA -0.876 58.132 59.018 -0.016 0.000 1.426 265 C CB 1.365 29.095 27.740 -0.016 0.000 1.800 265 C HN 1.001 nan 8.230 nan 0.000 0.470 266 E N 0.813 120.990 120.200 -0.039 0.000 2.216 266 E HA 0.276 4.626 4.350 0.000 0.000 0.192 266 E C 0.635 177.195 176.600 -0.066 0.000 0.988 266 E CA 1.191 57.560 56.400 -0.052 0.000 0.834 266 E CB 0.268 29.930 29.700 -0.064 0.000 0.772 266 E HN 0.969 nan 8.360 nan 0.000 0.479 267 A N 0.893 123.670 122.820 -0.072 0.000 2.427 267 A HA 0.529 4.849 4.320 0.000 0.000 0.298 267 A C -1.657 175.899 177.584 -0.048 0.000 1.036 267 A CA -0.700 51.288 52.037 -0.082 0.000 0.701 267 A CB 1.453 20.360 19.000 -0.155 0.000 1.250 267 A HN 0.171 nan 8.150 nan 0.000 0.412 268 L N 2.753 123.964 121.223 -0.020 0.000 2.333 268 L HA 0.673 5.013 4.340 0.000 0.000 0.280 268 L C -1.218 175.674 176.870 0.037 0.000 1.004 268 L CA -0.482 54.364 54.840 0.010 0.000 0.820 268 L CB 1.370 43.440 42.059 0.019 0.000 1.247 268 L HN 0.718 nan 8.230 nan 0.000 0.416 269 L N 6.293 127.545 121.223 0.048 0.000 2.272 269 L HA 0.540 4.880 4.340 0.000 0.000 0.289 269 L C -1.079 175.857 176.870 0.109 0.000 1.032 269 L CA -0.718 54.170 54.840 0.080 0.000 0.810 269 L CB 1.627 43.731 42.059 0.075 0.000 1.205 269 L HN 0.452 nan 8.230 nan 0.000 0.422 270 V N 4.076 124.100 119.914 0.183 0.000 2.318 270 V HA 0.252 4.372 4.120 0.000 0.000 0.271 270 V C 0.409 176.620 176.094 0.196 0.000 1.030 270 V CA -0.239 62.170 62.300 0.181 0.000 0.844 270 V CB 1.128 33.071 31.823 0.200 0.000 1.015 270 V HN 0.888 nan 8.190 nan 0.000 0.460 271 S N 2.356 118.135 115.700 0.132 0.000 2.327 271 S HA 0.162 4.632 4.470 0.000 0.000 0.203 271 S C 0.690 175.354 174.600 0.107 0.000 1.326 271 S CA -0.061 58.209 58.200 0.117 0.000 1.248 271 S CB 0.780 64.038 63.200 0.097 0.000 1.199 271 S HN 0.617 nan 8.310 nan 0.000 0.422 272 V N -1.365 118.611 119.914 0.104 0.000 2.871 272 V HA 0.609 4.729 4.120 0.000 0.000 0.256 272 V C 1.096 177.243 176.094 0.088 0.000 1.082 272 V CA 1.058 63.410 62.300 0.087 0.000 1.105 272 V CB -0.911 30.946 31.823 0.057 0.000 0.713 272 V HN 0.948 nan 8.190 nan 0.000 0.473 273 G N -0.593 108.264 108.800 0.095 0.000 2.315 273 G HA2 0.526 4.486 3.960 0.000 0.000 0.294 273 G HA3 0.526 4.486 3.960 0.000 0.000 0.294 273 G C -1.523 173.434 174.900 0.095 0.000 1.300 273 G CA -1.085 44.072 45.100 0.095 0.000 0.843 273 G HN 0.269 nan 8.290 nan 0.000 0.527 274 R N -0.496 120.062 120.500 0.097 0.000 2.744 274 R HA 0.663 5.003 4.340 0.000 0.000 0.279 274 R C -0.309 176.036 176.300 0.076 0.000 0.977 274 R CA -0.963 55.187 56.100 0.083 0.000 0.906 274 R CB 2.603 32.950 30.300 0.079 0.000 1.197 274 R HN 0.792 nan 8.270 nan 0.000 0.463 275 R N 1.030 121.550 120.500 0.033 0.000 2.740 275 R HA 0.552 4.892 4.340 0.000 0.000 0.282 275 R C -2.690 173.545 176.300 -0.108 0.000 0.969 275 R CA -2.209 53.854 56.100 -0.061 0.000 0.918 275 R CB 1.510 31.783 30.300 -0.046 0.000 1.175 275 R HN 0.273 nan 8.270 nan 0.000 0.464 276 P HA -0.028 nan 4.420 nan 0.000 0.268 276 P C -1.258 176.004 177.300 -0.063 0.000 1.205 276 P CA 0.039 62.966 63.100 -0.289 0.000 0.771 276 P CB 0.454 31.699 31.700 -0.759 0.000 0.858 277 F N 3.396 123.286 119.950 -0.100 0.000 2.449 277 F HA 0.408 4.935 4.527 0.000 0.000 0.342 277 F C 0.465 176.250 175.800 -0.025 0.000 1.127 277 F CA -0.172 57.795 58.000 -0.055 0.000 0.975 277 F CB 1.493 40.477 39.000 -0.026 0.000 1.146 277 F HN 0.320 nan 8.300 nan 0.000 0.444 278 T N 1.544 115.643 114.554 -0.760 0.000 3.332 278 T HA 0.323 4.673 4.350 0.000 0.000 0.304 278 T C 0.637 174.908 174.700 -0.715 0.000 0.971 278 T CA -0.103 61.661 62.100 -0.560 0.000 0.954 278 T CB -0.374 68.348 68.868 -0.242 0.000 1.175 278 T HN 0.784 nan 8.240 nan 0.000 0.519 279 G N 0.293 108.251 108.800 -1.404 0.000 2.305 279 G HA2 0.407 4.367 3.960 0.000 0.000 0.243 279 G HA3 0.407 4.367 3.960 0.000 0.000 0.243 279 G C 1.278 175.976 174.900 -0.336 0.000 1.288 279 G CA 0.173 44.827 45.100 -0.744 0.000 0.901 279 G HN 1.301 nan 8.290 nan 0.000 0.516 280 G N 1.215 109.931 108.800 -0.140 0.000 2.189 280 G HA2 -0.282 3.678 3.960 0.000 0.000 0.267 280 G HA3 -0.282 3.678 3.960 0.000 0.000 0.267 280 G C 1.171 176.051 174.900 -0.034 0.000 0.975 280 G CA 0.773 45.847 45.100 -0.043 0.000 0.644 280 G HN 1.062 nan 8.290 nan 0.000 0.537 281 L N 0.643 121.830 121.223 -0.059 0.000 2.313 281 L HA 0.459 4.799 4.340 0.000 0.000 0.214 281 L C 2.202 179.144 176.870 0.121 0.000 1.119 281 L CA 2.125 56.974 54.840 0.014 0.000 0.809 281 L CB -0.365 41.709 42.059 0.025 0.000 0.933 281 L HN 1.504 nan 8.230 nan 0.000 0.449 282 G N -1.104 107.740 108.800 0.073 0.000 2.147 282 G HA2 -0.294 3.666 3.960 0.000 0.000 0.244 282 G HA3 -0.294 3.666 3.960 0.000 0.000 0.244 282 G C 1.025 175.984 174.900 0.098 0.000 1.005 282 G CA 0.513 45.671 45.100 0.097 0.000 0.713 282 G HN 0.383 nan 8.290 nan 0.000 0.515 283 L N -0.551 120.707 121.223 0.058 0.000 2.187 283 L HA -0.070 4.270 4.340 0.000 0.000 0.213 283 L C 2.517 179.348 176.870 -0.065 0.000 1.100 283 L CA 2.138 56.960 54.840 -0.030 0.000 0.765 283 L CB -0.362 41.676 42.059 -0.036 0.000 0.904 283 L HN 0.305 nan 8.230 nan 0.000 0.437 284 D N -0.282 120.095 120.400 -0.037 0.000 2.183 284 D HA -0.184 4.457 4.640 0.000 0.000 0.203 284 D C 2.113 178.390 176.300 -0.037 0.000 0.969 284 D CA 0.713 54.689 54.000 -0.040 0.000 0.842 284 D CB -0.021 40.762 40.800 -0.029 0.000 0.957 284 D HN 0.180 nan 8.370 nan 0.000 0.484 285 K N 0.980 121.367 120.400 -0.021 0.000 2.147 285 K HA -0.102 4.218 4.320 0.000 0.000 0.205 285 K C 1.596 178.172 176.600 -0.039 0.000 1.049 285 K CA 1.117 57.396 56.287 -0.013 0.000 0.936 285 K CB -0.028 32.484 32.500 0.020 0.000 0.722 285 K HN 0.381 nan 8.250 nan 0.000 0.446 286 I N -3.172 117.345 120.570 -0.089 0.000 4.025 286 I HA 0.152 4.322 4.170 0.000 0.000 0.336 286 I C -0.061 175.968 176.117 -0.148 0.000 1.390 286 I CA -0.261 60.955 61.300 -0.141 0.000 1.099 286 I CB -0.113 37.724 38.000 -0.271 0.000 1.049 286 I HN 0.176 nan 8.210 nan 0.000 0.394 287 N N 1.590 120.221 118.700 -0.115 0.000 2.758 287 N HA -0.145 4.596 4.740 0.000 0.000 0.248 287 N C -0.481 174.959 175.510 -0.116 0.000 1.076 287 N CA 0.016 53.008 53.050 -0.096 0.000 0.696 287 N CB -0.437 38.006 38.487 -0.073 0.000 0.979 287 N HN 0.283 nan 8.380 nan 0.000 0.550 288 V N 1.537 121.361 119.914 -0.151 0.000 2.508 288 V HA 0.373 4.493 4.120 0.000 0.000 0.281 288 V C 1.059 177.101 176.094 -0.086 0.000 1.041 288 V CA 0.232 62.444 62.300 -0.146 0.000 1.016 288 V CB 1.056 32.765 31.823 -0.189 0.000 0.984 288 V HN 0.384 nan 8.190 nan 0.000 0.478 289 A N 6.964 129.745 122.820 -0.066 0.000 2.440 289 A HA 0.506 4.826 4.320 0.000 0.000 0.251 289 A C 0.171 177.746 177.584 -0.016 0.000 1.089 289 A CA -0.190 51.824 52.037 -0.039 0.000 0.779 289 A CB 0.213 19.192 19.000 -0.034 0.000 1.022 289 A HN 0.841 nan 8.150 nan 0.000 0.492 290 K N 1.414 121.811 120.400 -0.006 0.000 2.385 290 K HA 0.283 4.603 4.320 0.000 0.000 0.248 290 K C -0.181 176.440 176.600 0.035 0.000 0.955 290 K CA -0.710 55.590 56.287 0.021 0.000 0.816 290 K CB 2.045 34.545 32.500 0.001 0.000 1.250 290 K HN 0.976 nan 8.250 nan 0.000 0.434 291 N N -0.085 118.662 118.700 0.078 0.000 2.366 291 N HA 0.048 4.788 4.740 0.000 0.000 0.277 291 N C 0.200 175.752 175.510 0.070 0.000 1.275 291 N CA -0.602 52.494 53.050 0.076 0.000 0.964 291 N CB 0.754 39.301 38.487 0.100 0.000 1.167 291 N HN 0.490 nan 8.380 nan 0.000 0.568 292 E N -0.532 119.706 120.200 0.063 0.000 2.265 292 E HA -0.113 4.237 4.350 0.000 0.000 0.196 292 E C 1.258 177.892 176.600 0.057 0.000 0.996 292 E CA 0.746 57.175 56.400 0.048 0.000 0.832 292 E CB 0.022 29.747 29.700 0.040 0.000 0.756 292 E HN 0.427 nan 8.360 nan 0.000 0.491 293 R N -0.401 120.168 120.500 0.114 0.000 2.310 293 R HA 0.072 4.412 4.340 0.000 0.000 0.202 293 R C 1.215 177.488 176.300 -0.044 0.000 0.933 293 R CA 0.763 56.929 56.100 0.110 0.000 1.054 293 R CB 0.739 31.235 30.300 0.325 0.000 0.985 293 R HN 0.325 nan 8.270 nan 0.000 0.489 294 G N 0.820 109.605 108.800 -0.026 0.000 2.175 294 G HA2 -0.258 3.702 3.960 0.000 0.000 0.244 294 G HA3 -0.258 3.702 3.960 0.000 0.000 0.244 294 G C 0.003 174.796 174.900 -0.178 0.000 0.982 294 G CA -0.391 44.633 45.100 -0.126 0.000 0.641 294 G HN 0.204 nan 8.290 nan 0.000 0.527 295 F N 0.595 120.551 119.950 0.010 0.000 2.429 295 F HA 0.507 5.034 4.527 0.000 0.000 0.348 295 F C 1.203 177.008 175.800 0.008 0.000 1.109 295 F CA -0.479 57.531 58.000 0.016 0.000 1.232 295 F CB 1.288 40.297 39.000 0.016 0.000 1.157 295 F HN -0.041 nan 8.300 nan 0.000 0.564 296 V N 4.093 124.127 119.914 0.201 0.000 2.508 296 V HA 0.051 4.171 4.120 0.000 0.000 0.281 296 V C 0.187 176.352 176.094 0.118 0.000 1.041 296 V CA -0.813 61.558 62.300 0.117 0.000 1.016 296 V CB 0.513 32.397 31.823 0.101 0.000 0.984 296 V HN 0.571 nan 8.190 nan 0.000 0.478 297 K N 6.238 126.676 120.400 0.063 0.000 2.322 297 K HA 0.540 4.860 4.320 0.000 0.000 0.283 297 K C -0.320 176.288 176.600 0.013 0.000 1.042 297 K CA -0.063 56.242 56.287 0.031 0.000 0.958 297 K CB 0.839 33.342 32.500 0.006 0.000 0.984 297 K HN 0.699 nan 8.250 nan 0.000 0.473 298 I N -1.806 118.766 120.570 0.003 0.000 3.042 298 I HA 0.653 4.824 4.170 0.000 0.000 0.310 298 I C 0.104 176.186 176.117 -0.059 0.000 1.117 298 I CA -1.085 60.212 61.300 -0.004 0.000 1.003 298 I CB 2.095 40.137 38.000 0.071 0.000 1.228 298 I HN 0.519 nan 8.210 nan 0.000 0.443 299 G N 0.700 109.457 108.800 -0.071 0.000 2.671 299 G HA2 0.248 4.208 3.960 0.000 0.000 0.275 299 G HA3 0.248 4.208 3.960 0.000 0.000 0.275 299 G C 0.022 174.800 174.900 -0.202 0.000 1.368 299 G CA -0.354 44.689 45.100 -0.095 0.000 1.044 299 G HN 0.771 nan 8.290 nan 0.000 0.543 300 D N -0.622 119.655 120.400 -0.206 0.000 2.309 300 D HA -0.071 4.569 4.640 0.000 0.000 0.212 300 D C 0.743 176.621 176.300 -0.703 0.000 0.968 300 D CA 1.193 54.953 54.000 -0.402 0.000 0.882 300 D CB 0.224 40.824 40.800 -0.333 0.000 0.918 300 D HN 0.420 nan 8.370 nan 0.000 0.503 301 H N -1.480 117.464 119.070 -0.211 0.000 2.486 301 H HA 0.199 4.756 4.556 0.000 0.000 0.284 301 H C -0.178 175.230 175.328 0.133 0.000 1.103 301 H CA -0.260 55.748 56.048 -0.066 0.000 1.089 301 H CB -0.248 29.587 29.762 0.122 0.000 1.603 301 H HN -0.050 nan 8.280 nan 0.000 0.557 302 F N 0.101 120.187 119.950 0.228 0.000 2.794 302 F HA -0.296 4.231 4.527 0.000 0.000 0.335 302 F C 0.690 176.610 175.800 0.201 0.000 0.653 302 F CA 0.606 58.752 58.000 0.243 0.000 1.266 302 F CB -1.211 37.968 39.000 0.299 0.000 1.666 302 F HN 0.324 nan 8.300 nan 0.000 0.314 303 E N 2.305 122.577 120.200 0.119 0.000 2.338 303 E HA 0.347 4.697 4.350 0.000 0.000 0.272 303 E C 0.512 177.012 176.600 -0.167 0.000 1.029 303 E CA 0.424 56.642 56.400 -0.304 0.000 0.872 303 E CB 1.491 31.008 29.700 -0.306 0.000 1.015 303 E HN 0.264 nan 8.360 nan 0.000 0.417 304 T N -0.216 114.207 114.554 -0.218 0.000 2.833 304 T HA 0.144 4.494 4.350 0.000 0.000 0.292 304 T C 1.342 175.961 174.700 -0.135 0.000 1.031 304 T CA -0.013 62.013 62.100 -0.122 0.000 0.937 304 T CB 0.406 69.205 68.868 -0.115 0.000 1.256 304 T HN 0.516 nan 8.240 nan 0.000 0.551 305 S N -0.677 114.959 115.700 -0.107 0.000 2.515 305 S HA 0.103 4.573 4.470 0.000 0.000 0.231 305 S C 0.741 175.273 174.600 -0.112 0.000 0.987 305 S CA -0.094 58.049 58.200 -0.095 0.000 0.936 305 S CB -0.490 62.665 63.200 -0.075 0.000 0.766 305 S HN 0.581 nan 8.310 nan 0.000 0.528 306 I N 3.158 123.638 120.570 -0.149 0.000 2.321 306 I HA 0.462 4.632 4.170 0.000 0.000 0.291 306 I C -2.678 173.340 176.117 -0.164 0.000 0.998 306 I CA -3.101 58.105 61.300 -0.156 0.000 1.227 306 I CB 0.667 38.541 38.000 -0.211 0.000 1.368 306 I HN -0.074 nan 8.210 nan 0.000 0.466 307 P HA 0.036 nan 4.420 nan 0.000 0.263 307 P C -0.047 177.218 177.300 -0.058 0.000 1.175 307 P CA 0.619 63.677 63.100 -0.070 0.000 0.761 307 P CB 0.394 32.097 31.700 0.006 0.000 0.794 308 D N -0.585 119.807 120.400 -0.013 0.000 2.946 308 D HA -0.125 4.515 4.640 0.000 0.000 0.202 308 D C -0.486 175.884 176.300 0.116 0.000 1.068 308 D CA 0.893 54.982 54.000 0.148 0.000 1.011 308 D CB -1.511 39.392 40.800 0.171 0.000 1.105 308 D HN 0.135 nan 8.370 nan 0.000 0.425 309 V N 1.163 121.014 119.914 -0.105 0.000 2.409 309 V HA 0.513 4.633 4.120 0.000 0.000 0.291 309 V C -0.096 175.899 176.094 -0.164 0.000 1.020 309 V CA -0.664 61.622 62.300 -0.023 0.000 0.848 309 V CB 1.362 33.087 31.823 -0.163 0.000 0.990 309 V HN 0.003 nan 8.190 nan 0.000 0.430 310 Y N 2.168 122.528 120.300 0.100 0.000 2.621 310 Y HA 0.883 5.434 4.550 0.000 0.000 0.334 310 Y C 0.349 176.333 175.900 0.141 0.000 1.074 310 Y CA -0.826 57.356 58.100 0.136 0.000 1.149 310 Y CB 2.244 40.798 38.460 0.156 0.000 1.302 310 Y HN 0.711 nan 8.280 nan 0.000 0.501 311 A N 1.557 124.570 122.820 0.322 0.000 2.574 311 A HA 0.867 5.187 4.320 0.000 0.000 0.297 311 A C -1.415 176.314 177.584 0.242 0.000 1.062 311 A CA -0.581 51.597 52.037 0.234 0.000 0.686 311 A CB 1.250 20.361 19.000 0.186 0.000 1.285 311 A HN 0.754 nan 8.150 nan 0.000 0.403 312 I N -1.760 118.898 120.570 0.146 0.000 3.279 312 I HA 0.931 5.101 4.170 0.000 0.000 0.315 312 I C 0.466 176.637 176.117 0.090 0.000 1.225 312 I CA -0.355 60.994 61.300 0.081 0.000 0.947 312 I CB 1.794 39.724 38.000 -0.116 0.000 1.293 312 I HN 2.165 nan 8.210 nan 0.000 0.468 313 G N 2.180 111.026 108.800 0.078 0.000 2.542 313 G HA2 -0.230 3.730 3.960 0.000 0.000 0.235 313 G HA3 -0.230 3.730 3.960 0.000 0.000 0.235 313 G C -0.055 174.922 174.900 0.129 0.000 1.286 313 G CA 0.628 45.775 45.100 0.077 0.000 0.904 313 G HN 0.845 nan 8.290 nan 0.000 0.577 314 D N -0.628 119.848 120.400 0.126 0.000 2.218 314 D HA 0.008 4.648 4.640 0.000 0.000 0.204 314 D C 2.411 178.876 176.300 0.275 0.000 0.976 314 D CA 1.263 55.371 54.000 0.181 0.000 0.853 314 D CB -0.066 40.819 40.800 0.142 0.000 0.939 314 D HN 0.443 nan 8.370 nan 0.000 0.481 315 V N 0.550 120.597 119.914 0.221 0.000 3.217 315 V HA -0.040 4.080 4.120 0.000 0.000 0.264 315 V C 0.828 177.141 176.094 0.364 0.000 1.135 315 V CA 0.386 62.821 62.300 0.224 0.000 1.142 315 V CB -0.036 31.874 31.823 0.146 0.000 0.754 315 V HN 0.027 nan 8.190 nan 0.000 0.484 316 V N -0.843 119.276 119.914 0.342 0.000 2.837 316 V HA 0.459 4.580 4.120 0.000 0.000 0.310 316 V C 0.871 177.058 176.094 0.156 0.000 1.059 316 V CA -0.200 62.267 62.300 0.279 0.000 1.004 316 V CB 1.363 33.309 31.823 0.205 0.000 1.045 316 V HN 0.469 nan 8.190 nan 0.000 0.465 317 D N 0.251 120.669 120.400 0.029 0.000 2.395 317 D HA 0.119 4.759 4.640 0.000 0.000 0.250 317 D C 0.067 176.202 176.300 -0.274 0.000 1.203 317 D CA 0.220 54.074 54.000 -0.243 0.000 0.872 317 D CB -0.225 40.513 40.800 -0.103 0.000 0.941 317 D HN 0.667 nan 8.370 nan 0.000 0.504 318 K N -0.428 119.844 120.400 -0.213 0.000 2.426 318 K HA 0.543 4.863 4.320 0.000 0.000 0.251 318 K C 0.244 176.738 176.600 -0.177 0.000 0.941 318 K CA -0.273 55.848 56.287 -0.277 0.000 0.808 318 K CB 2.188 34.474 32.500 -0.358 0.000 1.265 318 K HN 0.107 nan 8.250 nan 0.000 0.432 319 G N 2.584 111.266 108.800 -0.197 0.000 2.907 319 G HA2 -0.207 3.753 3.960 0.000 0.000 0.242 319 G HA3 -0.207 3.753 3.960 0.000 0.000 0.242 319 G C -2.499 172.408 174.900 0.012 0.000 1.448 319 G CA -0.773 44.347 45.100 0.032 0.000 0.911 319 G HN 0.477 nan 8.290 nan 0.000 0.553 320 P HA 0.420 nan 4.420 nan 0.000 0.279 320 P C -0.000 177.315 177.300 0.025 0.000 1.252 320 P CA -0.630 62.484 63.100 0.025 0.000 0.811 320 P CB 0.657 32.378 31.700 0.035 0.000 1.035 321 M N 1.938 121.564 119.600 0.042 0.000 3.011 321 M HA 0.244 4.724 4.480 0.000 0.000 0.292 321 M C -0.376 175.929 176.300 0.009 0.000 1.440 321 M CA 0.340 55.675 55.300 0.058 0.000 1.552 321 M CB -0.709 31.956 32.600 0.109 0.000 1.187 321 M HN 0.195 nan 8.290 nan 0.000 0.520 322 L N -0.178 121.004 121.223 -0.068 0.000 2.371 322 L HA 0.605 4.945 4.340 0.000 0.000 0.262 322 L C 0.954 177.699 176.870 -0.208 0.000 1.006 322 L CA -0.539 54.198 54.840 -0.172 0.000 0.818 322 L CB 1.963 43.786 42.059 -0.393 0.000 1.354 322 L HN 0.540 nan 8.230 nan 0.000 0.415 323 A N 0.349 123.087 122.820 -0.136 0.000 1.898 323 A HA -0.169 4.151 4.320 0.000 0.000 0.216 323 A C 1.948 179.491 177.584 -0.067 0.000 1.181 323 A CA 1.616 53.621 52.037 -0.053 0.000 0.620 323 A CB -0.784 18.241 19.000 0.042 0.000 0.819 323 A HN 0.928 nan 8.150 nan 0.000 0.442 324 H N -0.573 118.498 119.070 0.002 0.000 2.457 324 H HA -0.052 4.505 4.556 0.000 0.000 0.294 324 H C 1.793 177.100 175.328 -0.035 0.000 1.064 324 H CA 1.388 57.423 56.048 -0.022 0.000 1.330 324 H CB -0.434 29.322 29.762 -0.011 0.000 1.395 324 H HN 0.553 nan 8.280 nan 0.000 0.541 325 K N 1.547 121.789 120.400 -0.263 0.000 2.025 325 K HA -0.055 4.266 4.320 0.000 0.000 0.207 325 K C 2.467 179.025 176.600 -0.070 0.000 1.049 325 K CA 1.148 57.362 56.287 -0.122 0.000 0.933 325 K CB -0.163 32.281 32.500 -0.095 0.000 0.714 325 K HN 0.251 nan 8.250 nan 0.000 0.438 326 A N 1.622 124.398 122.820 -0.074 0.000 1.908 326 A HA -0.233 4.087 4.320 0.000 0.000 0.218 326 A C 2.025 179.539 177.584 -0.115 0.000 1.181 326 A CA 1.946 53.944 52.037 -0.065 0.000 0.627 326 A CB -0.609 18.363 19.000 -0.046 0.000 0.818 326 A HN 0.655 nan 8.150 nan 0.000 0.445 327 E N -0.323 119.808 120.200 -0.116 0.000 2.077 327 E HA -0.247 4.103 4.350 0.000 0.000 0.193 327 E C 1.202 177.715 176.600 -0.145 0.000 0.989 327 E CA 1.482 57.790 56.400 -0.153 0.000 0.800 327 E CB -0.171 29.456 29.700 -0.122 0.000 0.746 327 E HN 0.513 nan 8.360 nan 0.000 0.452 328 D N 0.436 120.767 120.400 -0.114 0.000 2.183 328 D HA -0.110 4.530 4.640 0.000 0.000 0.203 328 D C 1.649 177.844 176.300 -0.175 0.000 0.969 328 D CA 0.856 54.778 54.000 -0.130 0.000 0.842 328 D CB -0.081 40.647 40.800 -0.120 0.000 0.957 328 D HN 0.336 nan 8.370 nan 0.000 0.484 329 E N 0.065 120.146 120.200 -0.198 0.000 2.106 329 E HA -0.061 4.289 4.350 0.000 0.000 0.192 329 E C 2.156 178.451 176.600 -0.508 0.000 0.984 329 E CA 0.890 57.050 56.400 -0.400 0.000 0.806 329 E CB -0.129 29.395 29.700 -0.295 0.000 0.750 329 E HN 0.272 nan 8.360 nan 0.000 0.458 330 G N 0.906 109.521 108.800 -0.309 0.000 2.418 330 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 330 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 330 G C 1.735 176.503 174.900 -0.219 0.000 1.158 330 G CA 0.661 45.607 45.100 -0.257 0.000 0.771 330 G HN 0.111 nan 8.290 nan 0.000 0.545 331 V N 1.583 121.386 119.914 -0.184 0.000 2.295 331 V HA -0.132 3.988 4.120 0.000 0.000 0.246 331 V C 3.350 179.375 176.094 -0.115 0.000 1.049 331 V CA 2.098 64.320 62.300 -0.130 0.000 1.024 331 V CB -0.912 30.847 31.823 -0.107 0.000 0.648 331 V HN 0.475 nan 8.190 nan 0.000 0.447 332 A N -1.155 121.587 122.820 -0.130 0.000 1.908 332 A HA -0.306 4.014 4.320 0.000 0.000 0.218 332 A C 2.422 179.998 177.584 -0.013 0.000 1.181 332 A CA 2.235 54.256 52.037 -0.027 0.000 0.627 332 A CB -1.248 17.803 19.000 0.085 0.000 0.818 332 A HN 0.610 nan 8.150 nan 0.000 0.445 333 C N -0.846 118.313 119.300 -0.236 0.000 2.432 333 C HA 0.098 4.558 4.460 0.000 0.000 0.277 333 C C 3.206 178.124 174.990 -0.120 0.000 1.249 333 C CA 1.184 60.100 59.018 -0.169 0.000 1.725 333 C CB -1.346 26.172 27.740 -0.369 0.000 2.028 333 C HN 0.683 nan 8.230 nan 0.000 0.477 334 A N 0.095 122.837 122.820 -0.129 0.000 1.908 334 A HA -0.214 4.106 4.320 0.000 0.000 0.218 334 A C 2.036 179.585 177.584 -0.058 0.000 1.181 334 A CA 2.014 53.993 52.037 -0.097 0.000 0.627 334 A CB -0.745 18.204 19.000 -0.085 0.000 0.818 334 A HN 0.790 nan 8.150 nan 0.000 0.445 335 E N -0.464 119.717 120.200 -0.030 0.000 2.051 335 E HA -0.160 4.190 4.350 0.000 0.000 0.192 335 E C 1.919 178.535 176.600 0.026 0.000 0.991 335 E CA 1.236 57.639 56.400 0.004 0.000 0.799 335 E CB -0.298 29.416 29.700 0.023 0.000 0.748 335 E HN 0.700 nan 8.360 nan 0.000 0.449 336 I N 1.117 121.722 120.570 0.058 0.000 2.163 336 I HA -0.297 3.873 4.170 0.000 0.000 0.243 336 I C 2.278 178.396 176.117 0.001 0.000 1.085 336 I CA 1.071 62.425 61.300 0.091 0.000 1.347 336 I CB -0.186 37.941 38.000 0.212 0.000 1.044 336 I HN 0.120 nan 8.210 nan 0.000 0.408 337 L N 0.354 121.524 121.223 -0.087 0.000 2.265 337 L HA -0.151 4.189 4.340 0.000 0.000 0.215 337 L C 2.326 179.169 176.870 -0.045 0.000 1.117 337 L CA 0.882 55.649 54.840 -0.121 0.000 0.782 337 L CB -0.595 41.348 42.059 -0.192 0.000 0.914 337 L HN 0.242 nan 8.230 nan 0.000 0.441 338 A N -0.566 122.239 122.820 -0.025 0.000 2.307 338 A HA 0.387 4.707 4.320 0.000 0.000 0.218 338 A C 1.658 179.244 177.584 0.005 0.000 1.228 338 A CA 0.599 52.632 52.037 -0.008 0.000 0.857 338 A CB -0.212 18.783 19.000 -0.008 0.000 0.897 338 A HN 0.480 nan 8.150 nan 0.000 0.495 339 G N -0.546 108.261 108.800 0.011 0.000 2.141 339 G HA2 -0.228 3.732 3.960 0.000 0.000 0.242 339 G HA3 -0.228 3.732 3.960 0.000 0.000 0.242 339 G C 0.116 175.032 174.900 0.027 0.000 0.982 339 G CA 0.474 45.585 45.100 0.018 0.000 0.662 339 G HN 0.565 nan 8.290 nan 0.000 0.527 340 K N 0.820 121.241 120.400 0.035 0.000 2.123 340 K HA 0.536 4.856 4.320 0.000 0.000 0.248 340 K C -2.445 174.202 176.600 0.079 0.000 0.969 340 K CA -1.895 54.420 56.287 0.046 0.000 0.882 340 K CB 2.038 34.560 32.500 0.037 0.000 1.080 340 K HN 0.021 nan 8.250 nan 0.000 0.441 341 P HA 0.102 nan 4.420 nan 0.000 0.280 341 P C -0.690 176.708 177.300 0.164 0.000 1.386 341 P CA -0.214 62.963 63.100 0.129 0.000 0.899 341 P CB 0.687 32.444 31.700 0.096 0.000 1.098 342 G N 3.043 111.965 108.800 0.203 0.000 2.417 342 G HA2 0.705 4.665 3.960 0.000 0.000 0.334 342 G HA3 0.705 4.665 3.960 0.000 0.000 0.334 342 G C -1.088 173.988 174.900 0.293 0.000 1.150 342 G CA -0.594 44.627 45.100 0.201 0.000 0.923 342 G HN 0.785 nan 8.290 nan 0.000 0.485 343 H N -2.728 116.398 119.070 0.094 0.000 3.024 343 H HA 0.612 5.168 4.556 0.000 0.000 0.324 343 H C -1.956 173.386 175.328 0.024 0.000 1.347 343 H CA -1.024 55.065 56.048 0.069 0.000 1.182 343 H CB 1.296 31.060 29.762 0.004 0.000 1.889 343 H HN 0.487 nan 8.280 nan 0.000 0.528 344 V N 1.945 121.779 119.914 -0.133 0.000 2.680 344 V HA 0.309 4.430 4.120 0.000 0.000 0.309 344 V C -0.349 175.535 176.094 -0.349 0.000 1.052 344 V CA -0.914 61.167 62.300 -0.366 0.000 0.908 344 V CB 1.712 33.253 31.823 -0.470 0.000 1.001 344 V HN 0.871 nan 8.190 nan 0.000 0.431 345 N N 2.515 121.024 118.700 -0.318 0.000 2.645 345 N HA 0.223 4.964 4.740 0.000 0.000 0.233 345 N C 0.295 175.707 175.510 -0.164 0.000 1.058 345 N CA -0.170 52.808 53.050 -0.120 0.000 0.942 345 N CB 0.263 38.719 38.487 -0.053 0.000 1.210 345 N HN 0.576 nan 8.380 nan 0.000 0.512 346 Y N 0.895 121.217 120.300 0.036 0.000 2.574 346 Y HA 0.049 4.599 4.550 0.000 0.000 0.294 346 Y C 2.198 178.112 175.900 0.023 0.000 1.142 346 Y CA 1.032 59.148 58.100 0.026 0.000 1.314 346 Y CB 0.100 38.568 38.460 0.014 0.000 0.991 346 Y HN 0.593 nan 8.280 nan 0.000 0.555 347 G N -1.030 107.847 108.800 0.130 0.000 2.920 347 G HA2 0.110 4.070 3.960 0.000 0.000 0.208 347 G HA3 0.110 4.070 3.960 0.000 0.000 0.208 347 G C 0.121 175.054 174.900 0.055 0.000 1.159 347 G CA 0.268 45.421 45.100 0.088 0.000 0.784 347 G HN 0.149 nan 8.290 nan 0.000 0.535 348 V N 1.605 121.540 119.914 0.034 0.000 2.384 348 V HA 0.413 4.533 4.120 0.000 0.000 0.257 348 V C -0.702 175.403 176.094 0.018 0.000 0.969 348 V CA -0.475 61.836 62.300 0.017 0.000 0.910 348 V CB 0.613 32.437 31.823 0.002 0.000 1.150 348 V HN 0.155 nan 8.190 nan 0.000 0.481 349 I N 5.673 126.274 120.570 0.052 0.000 2.410 349 I HA 0.446 4.616 4.170 0.000 0.000 0.286 349 I C -2.091 174.099 176.117 0.123 0.000 1.009 349 I CA -1.709 59.651 61.300 0.100 0.000 1.111 349 I CB 2.909 40.972 38.000 0.104 0.000 1.262 349 I HN 0.325 nan 8.210 nan 0.000 0.443 350 P HA 0.450 nan 4.420 nan 0.000 0.276 350 P C -1.138 176.275 177.300 0.189 0.000 1.261 350 P CA -0.415 62.724 63.100 0.064 0.000 0.800 350 P CB 1.717 33.382 31.700 -0.059 0.000 1.066 351 A N 0.801 123.677 122.820 0.094 0.000 2.398 351 A HA 0.628 4.948 4.320 0.000 0.000 0.301 351 A C -1.123 176.472 177.584 0.019 0.000 1.041 351 A CA -0.579 51.531 52.037 0.121 0.000 0.711 351 A CB 1.396 20.457 19.000 0.102 0.000 1.240 351 A HN 0.278 nan 8.150 nan 0.000 0.420 352 V N 2.813 122.730 119.914 0.004 0.000 2.789 352 V HA 0.535 4.655 4.120 0.000 0.000 0.311 352 V C -0.632 175.360 176.094 -0.169 0.000 1.073 352 V CA -0.353 61.828 62.300 -0.198 0.000 0.921 352 V CB 1.972 33.536 31.823 -0.432 0.000 1.009 352 V HN 0.770 nan 8.190 nan 0.000 0.426 353 I N 3.520 123.951 120.570 -0.232 0.000 2.382 353 I HA 0.355 4.525 4.170 0.000 0.000 0.286 353 I C -0.691 175.320 176.117 -0.176 0.000 1.002 353 I CA -0.416 60.839 61.300 -0.075 0.000 1.135 353 I CB 1.606 39.591 38.000 -0.026 0.000 1.288 353 I HN 0.635 nan 8.210 nan 0.000 0.448 354 Y N 4.005 124.294 120.300 -0.018 0.000 2.627 354 Y HA 0.045 4.595 4.550 0.000 0.000 0.339 354 Y C 1.674 177.543 175.900 -0.052 0.000 1.137 354 Y CA -0.591 57.486 58.100 -0.038 0.000 1.361 354 Y CB -0.345 38.098 38.460 -0.028 0.000 1.180 354 Y HN 0.557 nan 8.280 nan 0.000 0.512 355 T N -1.683 112.893 114.554 0.037 0.000 2.715 355 T HA 0.256 4.606 4.350 0.000 0.000 0.320 355 T C -0.050 174.613 174.700 -0.061 0.000 1.046 355 T CA -0.710 61.389 62.100 -0.002 0.000 0.983 355 T CB 0.923 69.790 68.868 -0.001 0.000 1.183 355 T HN 0.135 nan 8.240 nan 0.000 0.522 356 M N 2.580 122.130 119.600 -0.083 0.000 2.106 356 M HA 0.435 4.916 4.480 0.000 0.000 0.288 356 M C -2.675 173.578 176.300 -0.078 0.000 0.941 356 M CA -2.761 52.462 55.300 -0.129 0.000 0.934 356 M CB 1.532 34.010 32.600 -0.204 0.000 1.551 356 M HN 0.467 nan 8.290 nan 0.000 0.437 357 P HA 0.156 nan 4.420 nan 0.000 0.270 357 P C -0.945 176.276 177.300 -0.132 0.000 1.223 357 P CA 0.020 63.048 63.100 -0.121 0.000 0.785 357 P CB 0.673 32.301 31.700 -0.120 0.000 0.923 358 E N -0.348 119.750 120.200 -0.170 0.000 2.314 358 E HA 0.400 4.750 4.350 0.000 0.000 0.262 358 E C -0.638 175.850 176.600 -0.187 0.000 1.093 358 E CA -0.913 55.374 56.400 -0.189 0.000 0.908 358 E CB 0.988 30.544 29.700 -0.240 0.000 1.091 358 E HN 0.148 nan 8.360 nan 0.000 0.425 359 V N 0.957 120.760 119.914 -0.184 0.000 2.588 359 V HA 0.666 4.786 4.120 0.000 0.000 0.304 359 V C -0.721 175.280 176.094 -0.155 0.000 1.042 359 V CA -0.672 61.538 62.300 -0.149 0.000 0.877 359 V CB 1.556 33.321 31.823 -0.096 0.000 0.996 359 V HN 0.753 nan 8.190 nan 0.000 0.425 360 A N 3.312 126.058 122.820 -0.123 0.000 2.422 360 A HA 0.939 5.259 4.320 0.000 0.000 0.302 360 A C -0.567 176.975 177.584 -0.070 0.000 1.041 360 A CA -0.477 51.492 52.037 -0.114 0.000 0.708 360 A CB 1.997 20.913 19.000 -0.140 0.000 1.257 360 A HN 0.716 nan 8.150 nan 0.000 0.414 361 S N -0.236 115.428 115.700 -0.060 0.000 2.546 361 S HA 0.794 5.264 4.470 0.000 0.000 0.274 361 S C -1.276 173.254 174.600 -0.117 0.000 1.121 361 S CA -0.597 57.536 58.200 -0.111 0.000 0.887 361 S CB 1.878 65.122 63.200 0.074 0.000 1.094 361 S HN 1.635 nan 8.310 nan 0.000 0.474 362 V N 1.504 121.289 119.914 -0.215 0.000 2.969 362 V HA 0.836 4.956 4.120 0.000 0.000 0.304 362 V C 0.139 176.164 176.094 -0.115 0.000 1.192 362 V CA 0.918 63.156 62.300 -0.104 0.000 0.962 362 V CB 1.128 32.908 31.823 -0.073 0.000 1.045 362 V HN 1.609 nan 8.190 nan 0.000 0.428 363 G N 5.361 114.147 108.800 -0.023 0.000 2.584 363 G HA2 -0.106 3.854 3.960 0.000 0.000 0.229 363 G HA3 -0.106 3.854 3.960 0.000 0.000 0.229 363 G C -0.750 174.182 174.900 0.054 0.000 1.320 363 G CA -0.027 45.077 45.100 0.006 0.000 0.891 363 G HN 0.905 nan 8.290 nan 0.000 0.573 364 K N 0.664 121.106 120.400 0.071 0.000 2.118 364 K HA 0.605 4.925 4.320 0.000 0.000 0.264 364 K C 0.870 177.575 176.600 0.175 0.000 1.000 364 K CA 0.220 56.559 56.287 0.087 0.000 0.929 364 K CB 1.444 33.956 32.500 0.020 0.000 1.021 364 K HN 1.070 nan 8.250 nan 0.000 0.463 365 S N 0.005 115.749 115.700 0.072 0.000 2.693 365 S HA 0.216 4.686 4.470 0.000 0.000 0.276 365 S C 0.982 175.474 174.600 -0.180 0.000 1.192 365 S CA -0.642 57.498 58.200 -0.100 0.000 0.994 365 S CB 1.390 64.520 63.200 -0.117 0.000 1.012 365 S HN 0.541 nan 8.310 nan 0.000 0.550 366 E N 0.539 120.587 120.200 -0.254 0.000 2.077 366 E HA -0.171 4.179 4.350 0.000 0.000 0.193 366 E C 1.111 177.618 176.600 -0.154 0.000 0.989 366 E CA 1.449 57.673 56.400 -0.293 0.000 0.800 366 E CB -0.232 29.374 29.700 -0.157 0.000 0.746 366 E HN 0.655 nan 8.360 nan 0.000 0.452 367 D N 0.820 121.166 120.400 -0.089 0.000 2.133 367 D HA -0.182 4.459 4.640 0.000 0.000 0.195 367 D C 1.724 178.006 176.300 -0.030 0.000 0.997 367 D CA 1.186 55.164 54.000 -0.037 0.000 0.840 367 D CB -0.177 40.606 40.800 -0.029 0.000 0.947 367 D HN 0.297 nan 8.370 nan 0.000 0.452 368 E N -0.051 120.122 120.200 -0.045 0.000 2.072 368 E HA -0.060 4.290 4.350 0.000 0.000 0.191 368 E C 2.385 178.967 176.600 -0.029 0.000 0.985 368 E CA 0.321 56.706 56.400 -0.025 0.000 0.801 368 E CB -0.049 29.642 29.700 -0.015 0.000 0.750 368 E HN 0.272 nan 8.360 nan 0.000 0.452 369 L N 1.015 122.186 121.223 -0.086 0.000 2.083 369 L HA -0.191 4.150 4.340 0.000 0.000 0.209 369 L C 2.369 179.266 176.870 0.046 0.000 1.083 369 L CA 1.235 56.032 54.840 -0.070 0.000 0.752 369 L CB -0.330 41.547 42.059 -0.303 0.000 0.899 369 L HN 0.059 nan 8.230 nan 0.000 0.433 370 K N 0.322 120.759 120.400 0.063 0.000 2.026 370 K HA -0.232 4.088 4.320 0.000 0.000 0.208 370 K C 2.168 178.808 176.600 0.068 0.000 1.048 370 K CA 1.421 57.780 56.287 0.119 0.000 0.929 370 K CB -0.116 32.449 32.500 0.108 0.000 0.713 370 K HN 0.081 nan 8.250 nan 0.000 0.439 371 K N 1.528 121.951 120.400 0.038 0.000 2.103 371 K HA -0.177 4.143 4.320 0.000 0.000 0.207 371 K C 1.283 177.902 176.600 0.031 0.000 1.048 371 K CA 1.591 57.895 56.287 0.029 0.000 0.930 371 K CB 0.154 32.664 32.500 0.018 0.000 0.716 371 K HN 0.164 nan 8.250 nan 0.000 0.444 372 E N -1.158 119.062 120.200 0.034 0.000 2.489 372 E HA 0.076 4.426 4.350 0.000 0.000 0.193 372 E C 0.556 177.184 176.600 0.047 0.000 1.057 372 E CA 0.335 56.755 56.400 0.034 0.000 0.866 372 E CB 0.475 30.193 29.700 0.029 0.000 0.916 372 E HN 0.524 nan 8.360 nan 0.000 0.500 373 G N 1.569 110.406 108.800 0.061 0.000 2.198 373 G HA2 -0.288 3.672 3.960 0.000 0.000 0.260 373 G HA3 -0.288 3.672 3.960 0.000 0.000 0.260 373 G C 0.299 175.249 174.900 0.084 0.000 1.025 373 G CA 0.176 45.317 45.100 0.067 0.000 0.769 373 G HN 0.183 nan 8.290 nan 0.000 0.507 374 V N 0.611 120.595 119.914 0.116 0.000 2.583 374 V HA 0.596 4.716 4.120 0.000 0.000 0.287 374 V C 1.006 177.222 176.094 0.205 0.000 1.051 374 V CA 0.035 62.418 62.300 0.137 0.000 1.010 374 V CB 1.479 33.380 31.823 0.129 0.000 0.988 374 V HN 1.070 nan 8.190 nan 0.000 0.478 375 A N 6.361 129.260 122.820 0.131 0.000 2.302 375 A HA 0.671 4.991 4.320 0.000 0.000 0.295 375 A C -0.641 177.020 177.584 0.129 0.000 1.235 375 A CA -0.289 51.792 52.037 0.073 0.000 0.876 375 A CB -0.146 18.866 19.000 0.020 0.000 1.133 375 A HN 0.968 nan 8.150 nan 0.000 0.533 376 Y N 0.509 120.826 120.300 0.029 0.000 2.605 376 Y HA 0.796 5.346 4.550 0.000 0.000 0.343 376 Y C -0.481 175.440 175.900 0.035 0.000 1.036 376 Y CA -1.346 56.776 58.100 0.036 0.000 1.065 376 Y CB 1.474 39.959 38.460 0.042 0.000 1.288 376 Y HN 0.515 nan 8.280 nan 0.000 0.481 377 K N 1.469 121.965 120.400 0.161 0.000 2.259 377 K HA 0.736 5.056 4.320 0.000 0.000 0.249 377 K C -1.869 174.868 176.600 0.228 0.000 0.942 377 K CA -0.990 55.346 56.287 0.082 0.000 0.816 377 K CB 2.283 34.828 32.500 0.074 0.000 1.155 377 K HN 0.712 nan 8.250 nan 0.000 0.428 378 V N 1.789 121.801 119.914 0.164 0.000 2.448 378 V HA 0.483 4.603 4.120 0.000 0.000 0.295 378 V C 0.168 176.332 176.094 0.116 0.000 1.025 378 V CA -0.779 61.632 62.300 0.184 0.000 0.859 378 V CB 1.588 33.513 31.823 0.171 0.000 0.988 378 V HN 0.908 nan 8.190 nan 0.000 0.431 379 G N 3.576 112.450 108.800 0.123 0.000 2.417 379 G HA2 0.657 4.617 3.960 0.000 0.000 0.320 379 G HA3 0.657 4.617 3.960 0.000 0.000 0.320 379 G C -0.952 174.011 174.900 0.106 0.000 1.204 379 G CA -0.542 44.621 45.100 0.106 0.000 0.923 379 G HN 0.635 nan 8.290 nan 0.000 0.466 380 K N 1.854 122.304 120.400 0.084 0.000 2.443 380 K HA 0.605 4.925 4.320 0.000 0.000 0.252 380 K C -2.134 174.477 176.600 0.019 0.000 0.933 380 K CA -0.881 55.430 56.287 0.039 0.000 0.792 380 K CB 1.989 34.431 32.500 -0.097 0.000 1.185 380 K HN 0.316 nan 8.250 nan 0.000 0.425 381 F N 6.348 126.200 119.950 -0.164 0.000 2.536 381 F HA 0.489 5.016 4.527 0.000 0.000 0.322 381 F C -2.474 173.070 175.800 -0.425 0.000 1.144 381 F CA -2.075 55.723 58.000 -0.337 0.000 0.924 381 F CB 1.783 40.625 39.000 -0.264 0.000 1.181 381 F HN 0.367 nan 8.300 nan 0.000 0.438 382 P HA 0.178 nan 4.420 nan 0.000 0.286 382 P C 0.263 177.287 177.300 -0.460 0.000 1.261 382 P CA -0.112 62.673 63.100 -0.525 0.000 0.821 382 P CB 1.093 32.439 31.700 -0.591 0.000 1.013 383 F N 1.593 121.550 119.950 0.013 0.000 2.546 383 F HA -0.141 4.386 4.527 0.000 0.000 0.298 383 F C 2.005 177.821 175.800 0.027 0.000 1.120 383 F CA 1.087 59.130 58.000 0.072 0.000 1.456 383 F CB -0.765 38.276 39.000 0.068 0.000 1.088 383 F HN 0.346 nan 8.300 nan 0.000 0.572 384 N N 0.440 119.175 118.700 0.059 0.000 2.571 384 N HA -0.022 4.718 4.740 0.000 0.000 0.189 384 N C 0.919 176.429 175.510 -0.000 0.000 1.154 384 N CA 0.971 54.047 53.050 0.045 0.000 0.907 384 N CB -0.328 38.173 38.487 0.023 0.000 0.977 384 N HN 0.148 nan 8.380 nan 0.000 0.449 385 A N -0.758 122.008 122.820 -0.090 0.000 2.508 385 A HA 0.130 4.450 4.320 0.000 0.000 0.250 385 A C 0.391 178.112 177.584 0.227 0.000 1.208 385 A CA -0.594 51.418 52.037 -0.041 0.000 0.960 385 A CB -0.191 18.591 19.000 -0.363 0.000 1.099 385 A HN 0.364 nan 8.150 nan 0.000 0.542 386 N N 0.803 119.673 118.700 0.282 0.000 2.455 386 N HA 0.086 4.826 4.740 0.000 0.000 0.280 386 N C 1.314 176.954 175.510 0.216 0.000 1.055 386 N CA 0.669 53.915 53.050 0.328 0.000 0.961 386 N CB 1.323 40.021 38.487 0.352 0.000 1.121 386 N HN 0.214 nan 8.380 nan 0.000 0.476 387 S N 4.416 120.210 115.700 0.157 0.000 2.359 387 S HA -0.240 4.231 4.470 0.000 0.000 0.223 387 S C 1.847 176.470 174.600 0.038 0.000 1.039 387 S CA 0.977 59.227 58.200 0.082 0.000 1.042 387 S CB -0.287 62.893 63.200 -0.032 0.000 0.915 387 S HN 0.760 nan 8.310 nan 0.000 0.439 388 R N 1.441 121.955 120.500 0.022 0.000 2.073 388 R HA 0.094 4.434 4.340 0.000 0.000 0.229 388 R C 2.605 178.954 176.300 0.082 0.000 1.120 388 R CA 1.106 57.221 56.100 0.025 0.000 0.967 388 R CB -0.778 29.531 30.300 0.014 0.000 0.862 388 R HN 0.529 nan 8.270 nan 0.000 0.436 389 A N 1.262 124.173 122.820 0.151 0.000 1.902 389 A HA -0.183 4.137 4.320 0.000 0.000 0.217 389 A C 1.949 179.616 177.584 0.138 0.000 1.181 389 A CA 1.574 53.707 52.037 0.159 0.000 0.623 389 A CB -0.310 18.865 19.000 0.291 0.000 0.818 389 A HN 0.310 nan 8.150 nan 0.000 0.443 390 K N -0.479 120.003 120.400 0.138 0.000 2.057 390 K HA 0.014 4.334 4.320 0.000 0.000 0.206 390 K C 2.313 178.973 176.600 0.100 0.000 1.050 390 K CA 0.948 57.303 56.287 0.113 0.000 0.935 390 K CB -0.308 32.257 32.500 0.108 0.000 0.715 390 K HN 0.429 nan 8.250 nan 0.000 0.439 391 A N 1.271 124.145 122.820 0.089 0.000 1.940 391 A HA -0.128 4.192 4.320 0.000 0.000 0.219 391 A C 2.119 179.766 177.584 0.104 0.000 1.176 391 A CA 1.929 54.014 52.037 0.080 0.000 0.631 391 A CB -0.486 18.544 19.000 0.050 0.000 0.814 391 A HN 0.232 nan 8.150 nan 0.000 0.446 392 V N -4.854 115.129 119.914 0.116 0.000 3.483 392 V HA 0.431 4.552 4.120 0.000 0.000 0.301 392 V C 0.784 177.046 176.094 0.280 0.000 1.389 392 V CA 0.581 62.979 62.300 0.164 0.000 1.101 392 V CB -0.686 31.182 31.823 0.076 0.000 0.971 392 V HN 0.803 nan 8.190 nan 0.000 0.434 393 S N 1.613 117.430 115.700 0.195 0.000 3.706 393 S HA -0.161 4.310 4.470 0.000 0.000 0.363 393 S C 0.514 175.211 174.600 0.162 0.000 0.999 393 S CA 1.165 59.457 58.200 0.154 0.000 1.143 393 S CB -1.625 61.627 63.200 0.085 0.000 0.902 393 S HN 1.809 nan 8.310 nan 0.000 0.476 394 T N -1.282 113.355 114.554 0.138 0.000 3.317 394 T HA 0.522 4.873 4.350 0.000 0.000 0.361 394 T C 0.152 174.898 174.700 0.077 0.000 1.499 394 T CA -0.602 61.562 62.100 0.106 0.000 1.529 394 T CB 1.003 69.924 68.868 0.089 0.000 0.997 394 T HN 0.390 nan 8.240 nan 0.000 0.624 395 E N 0.915 121.174 120.200 0.098 0.000 2.465 395 E HA 0.069 4.419 4.350 0.000 0.000 0.191 395 E C -0.243 176.443 176.600 0.143 0.000 1.053 395 E CA -0.420 56.060 56.400 0.134 0.000 0.869 395 E CB 0.261 30.032 29.700 0.118 0.000 0.977 395 E HN 0.597 nan 8.360 nan 0.000 0.483 396 D N 1.160 121.612 120.400 0.087 0.000 2.399 396 D HA 0.261 4.901 4.640 0.000 0.000 0.241 396 D C 0.952 177.322 176.300 0.118 0.000 1.133 396 D CA 1.001 55.051 54.000 0.084 0.000 0.890 396 D CB 0.927 41.746 40.800 0.033 0.000 1.201 396 D HN 0.199 nan 8.370 nan 0.000 0.432 397 G N 0.000 108.899 108.800 0.164 0.000 2.627 397 G HA2 0.158 4.118 3.960 0.000 0.000 0.214 397 G HA3 0.158 4.118 3.960 0.000 0.000 0.214 397 G C -0.726 174.445 174.900 0.451 0.000 1.331 397 G CA -0.232 44.970 45.100 0.171 0.000 0.891 397 G HN 0.767 nan 8.290 nan 0.000 0.539 398 F N -4.025 116.141 119.950 0.360 0.000 2.858 398 F HA 0.730 5.257 4.527 0.000 0.000 0.319 398 F C -0.697 175.230 175.800 0.211 0.000 1.166 398 F CA -1.361 56.729 58.000 0.150 0.000 0.899 398 F CB 1.000 39.996 39.000 -0.007 0.000 1.332 398 F HN 0.750 nan 8.300 nan 0.000 0.461 399 V N 1.547 121.673 119.914 0.355 0.000 2.495 399 V HA 0.563 4.683 4.120 0.000 0.000 0.298 399 V C -0.789 175.542 176.094 0.395 0.000 1.031 399 V CA -0.784 61.694 62.300 0.297 0.000 0.871 399 V CB 1.714 33.615 31.823 0.129 0.000 0.988 399 V HN 0.803 nan 8.190 nan 0.000 0.432 400 K N 3.655 124.292 120.400 0.395 0.000 2.426 400 K HA 0.764 5.084 4.320 0.000 0.000 0.254 400 K C -1.836 174.912 176.600 0.248 0.000 0.936 400 K CA -0.458 56.023 56.287 0.323 0.000 0.801 400 K CB 2.098 34.842 32.500 0.408 0.000 1.139 400 K HN 0.471 nan 8.250 nan 0.000 0.424 401 V N 5.798 125.822 119.914 0.184 0.000 2.495 401 V HA 0.430 4.550 4.120 0.000 0.000 0.298 401 V C -0.528 175.663 176.094 0.161 0.000 1.031 401 V CA -0.888 61.501 62.300 0.149 0.000 0.871 401 V CB 1.543 33.437 31.823 0.117 0.000 0.988 401 V HN 0.698 nan 8.190 nan 0.000 0.432 402 L N 5.935 127.247 121.223 0.150 0.000 2.296 402 L HA 0.788 5.128 4.340 0.000 0.000 0.286 402 L C -0.325 176.629 176.870 0.140 0.000 1.023 402 L CA -0.759 54.171 54.840 0.150 0.000 0.812 402 L CB 1.752 43.843 42.059 0.054 0.000 1.223 402 L HN 0.598 nan 8.230 nan 0.000 0.421 403 V N -1.199 118.824 119.914 0.181 0.000 3.001 403 V HA 0.467 4.587 4.120 0.000 0.000 0.314 403 V C -0.451 175.743 176.094 0.167 0.000 1.099 403 V CA -0.919 61.469 62.300 0.146 0.000 0.989 403 V CB 2.192 34.093 31.823 0.131 0.000 1.040 403 V HN 0.728 nan 8.190 nan 0.000 0.434 404 D N 2.355 122.831 120.400 0.127 0.000 2.401 404 D HA 0.046 4.686 4.640 0.000 0.000 0.254 404 D C 1.071 177.432 176.300 0.102 0.000 1.192 404 D CA 0.101 54.172 54.000 0.119 0.000 0.885 404 D CB 1.832 42.683 40.800 0.085 0.000 1.147 404 D HN 0.870 nan 8.370 nan 0.000 0.478 405 K N 3.626 124.084 120.400 0.097 0.000 2.280 405 K HA -0.120 4.200 4.320 0.000 0.000 0.202 405 K C 1.408 178.039 176.600 0.051 0.000 1.047 405 K CA 1.418 57.742 56.287 0.062 0.000 0.942 405 K CB -0.028 32.488 32.500 0.026 0.000 0.739 405 K HN 0.257 nan 8.250 nan 0.000 0.457 406 A N 0.807 123.658 122.820 0.051 0.000 1.887 406 A HA -0.025 4.295 4.320 0.000 0.000 0.212 406 A C 2.214 179.823 177.584 0.042 0.000 1.198 406 A CA 1.344 53.405 52.037 0.041 0.000 0.628 406 A CB -0.655 18.367 19.000 0.036 0.000 0.847 406 A HN 0.535 nan 8.150 nan 0.000 0.449 407 T N -5.205 109.377 114.554 0.046 0.000 3.054 407 T HA 0.247 4.597 4.350 0.000 0.000 0.255 407 T C 0.459 175.185 174.700 0.043 0.000 1.035 407 T CA 0.994 63.118 62.100 0.040 0.000 0.941 407 T CB 0.269 69.159 68.868 0.037 0.000 1.026 407 T HN 0.349 nan 8.240 nan 0.000 0.533 408 D N 0.567 121.002 120.400 0.058 0.000 3.046 408 D HA -0.182 4.458 4.640 0.000 0.000 0.210 408 D C 0.151 176.486 176.300 0.058 0.000 1.124 408 D CA 0.624 54.664 54.000 0.067 0.000 0.986 408 D CB -1.282 39.550 40.800 0.054 0.000 1.118 408 D HN 0.567 nan 8.370 nan 0.000 0.416 409 R N 0.298 120.831 120.500 0.055 0.000 2.491 409 R HA 0.383 4.723 4.340 0.000 0.000 0.283 409 R C 0.390 176.728 176.300 0.063 0.000 1.072 409 R CA -0.348 55.782 56.100 0.051 0.000 1.048 409 R CB 0.429 30.758 30.300 0.048 0.000 0.983 409 R HN 0.247 nan 8.270 nan 0.000 0.450 410 I N 5.780 126.384 120.570 0.057 0.000 2.517 410 I HA -0.106 4.064 4.170 0.000 0.000 0.285 410 I C 1.139 177.288 176.117 0.053 0.000 1.106 410 I CA 0.355 61.692 61.300 0.061 0.000 1.402 410 I CB 0.686 38.718 38.000 0.053 0.000 1.399 410 I HN 0.609 nan 8.210 nan 0.000 0.535 411 L N 6.006 127.263 121.223 0.057 0.000 2.515 411 L HA 0.419 4.759 4.340 0.000 0.000 0.223 411 L C 0.914 177.805 176.870 0.034 0.000 1.079 411 L CA -0.053 54.813 54.840 0.044 0.000 0.857 411 L CB 0.043 42.127 42.059 0.041 0.000 1.050 411 L HN 0.754 nan 8.230 nan 0.000 0.476 412 G N -0.444 108.378 108.800 0.036 0.000 2.667 412 G HA2 0.529 4.489 3.960 0.000 0.000 0.294 412 G HA3 0.529 4.489 3.960 0.000 0.000 0.294 412 G C -1.962 172.906 174.900 -0.054 0.000 1.467 412 G CA -0.332 44.769 45.100 0.001 0.000 0.852 412 G HN -0.294 nan 8.290 nan 0.000 0.521 413 V N 1.140 120.873 119.914 -0.302 0.000 2.686 413 V HA 0.628 4.748 4.120 0.000 0.000 0.306 413 V C -1.160 174.594 176.094 -0.566 0.000 1.065 413 V CA -0.880 61.285 62.300 -0.226 0.000 0.894 413 V CB 2.043 33.805 31.823 -0.101 0.000 1.004 413 V HN 0.906 nan 8.190 nan 0.000 0.424 414 H N 4.076 123.187 119.070 0.069 0.000 2.689 414 H HA 0.759 5.315 4.556 0.000 0.000 0.346 414 H C -0.894 174.453 175.328 0.031 0.000 1.037 414 H CA -0.389 55.687 56.048 0.047 0.000 1.234 414 H CB 1.860 31.670 29.762 0.079 0.000 1.572 414 H HN 0.535 nan 8.280 nan 0.000 0.524 415 I N 2.940 123.522 120.570 0.021 0.000 2.545 415 I HA 0.424 4.595 4.170 0.000 0.000 0.292 415 I C -0.813 175.210 176.117 -0.158 0.000 1.040 415 I CA -1.103 60.181 61.300 -0.027 0.000 1.068 415 I CB 2.338 40.351 38.000 0.022 0.000 1.251 415 I HN 0.253 nan 8.210 nan 0.000 0.424 416 V N 5.296 125.048 119.914 -0.270 0.000 2.409 416 V HA 0.627 4.747 4.120 0.000 0.000 0.290 416 V C -0.321 175.630 176.094 -0.240 0.000 1.017 416 V CA -0.385 61.732 62.300 -0.305 0.000 0.841 416 V CB 1.318 32.847 31.823 -0.490 0.000 1.003 416 V HN 1.063 nan 8.190 nan 0.000 0.426 417 C N 1.908 121.034 119.300 -0.289 0.000 3.167 417 C HA 0.408 4.869 4.460 0.000 0.000 0.348 417 C C 1.724 176.510 174.990 -0.341 0.000 1.394 417 C CA 0.151 58.902 59.018 -0.445 0.000 1.204 417 C CB 1.010 28.091 27.740 -1.097 0.000 1.467 417 C HN 0.910 nan 8.230 nan 0.000 0.446 418 T N -1.947 112.408 114.554 -0.332 0.000 2.977 418 T HA 0.048 4.398 4.350 0.000 0.000 0.271 418 T C 0.838 175.419 174.700 -0.197 0.000 1.105 418 T CA 2.131 64.099 62.100 -0.220 0.000 1.116 418 T CB -0.688 68.090 68.868 -0.152 0.000 0.878 418 T HN 1.031 nan 8.240 nan 0.000 0.509 419 T N 0.329 114.746 114.554 -0.230 0.000 3.339 419 T HA 0.663 5.013 4.350 0.000 0.000 0.292 419 T C 1.793 176.401 174.700 -0.154 0.000 1.012 419 T CA 0.023 62.028 62.100 -0.159 0.000 0.937 419 T CB 0.331 69.126 68.868 -0.122 0.000 1.164 419 T HN 0.421 nan 8.240 nan 0.000 0.509 420 A N 1.455 124.161 122.820 -0.191 0.000 1.917 420 A HA 0.057 4.377 4.320 0.000 0.000 0.219 420 A C 2.459 179.951 177.584 -0.153 0.000 1.182 420 A CA 2.070 54.011 52.037 -0.160 0.000 0.633 420 A CB -1.229 17.663 19.000 -0.180 0.000 0.819 420 A HN 0.544 nan 8.150 nan 0.000 0.448 421 G N -0.591 108.087 108.800 -0.203 0.000 2.440 421 G HA2 -0.221 3.739 3.960 0.000 0.000 0.218 421 G HA3 -0.221 3.739 3.960 0.000 0.000 0.218 421 G C 1.373 176.209 174.900 -0.107 0.000 1.154 421 G CA 1.088 46.060 45.100 -0.212 0.000 0.767 421 G HN 0.525 nan 8.290 nan 0.000 0.552 422 E N 0.236 120.393 120.200 -0.071 0.000 2.230 422 E HA 0.102 4.452 4.350 0.000 0.000 0.192 422 E C 2.671 179.250 176.600 -0.034 0.000 0.987 422 E CA 0.055 56.431 56.400 -0.040 0.000 0.841 422 E CB -0.135 29.550 29.700 -0.024 0.000 0.783 422 E HN 0.446 nan 8.360 nan 0.000 0.481 423 L N 0.313 121.514 121.223 -0.036 0.000 2.141 423 L HA -0.095 4.245 4.340 0.000 0.000 0.209 423 L C 2.374 179.238 176.870 -0.009 0.000 1.094 423 L CA 0.362 55.199 54.840 -0.005 0.000 0.763 423 L CB -0.304 41.765 42.059 0.018 0.000 0.908 423 L HN 0.073 nan 8.230 nan 0.000 0.437 424 I N 0.671 121.216 120.570 -0.041 0.000 2.567 424 I HA -0.150 4.020 4.170 0.000 0.000 0.257 424 I C 2.301 178.394 176.117 -0.039 0.000 1.184 424 I CA 1.041 62.312 61.300 -0.048 0.000 1.451 424 I CB -0.494 37.457 38.000 -0.082 0.000 1.089 424 I HN 0.106 nan 8.210 nan 0.000 0.441 425 G N -0.469 108.308 108.800 -0.038 0.000 2.440 425 G HA2 -0.328 3.632 3.960 0.000 0.000 0.218 425 G HA3 -0.328 3.632 3.960 0.000 0.000 0.218 425 G C 1.574 176.470 174.900 -0.006 0.000 1.154 425 G CA 0.893 45.975 45.100 -0.030 0.000 0.767 425 G HN 0.524 nan 8.290 nan 0.000 0.552 426 E N 0.468 120.672 120.200 0.007 0.000 2.085 426 E HA -0.070 4.280 4.350 0.000 0.000 0.194 426 E C 2.725 179.345 176.600 0.033 0.000 0.994 426 E CA 1.054 57.470 56.400 0.026 0.000 0.801 426 E CB -0.251 29.480 29.700 0.051 0.000 0.743 426 E HN 0.356 nan 8.360 nan 0.000 0.453 427 A N 0.305 123.138 122.820 0.021 0.000 1.930 427 A HA -0.156 4.164 4.320 0.000 0.000 0.217 427 A C 2.447 180.037 177.584 0.011 0.000 1.175 427 A CA 1.232 53.278 52.037 0.014 0.000 0.627 427 A CB -0.791 18.202 19.000 -0.011 0.000 0.815 427 A HN 0.516 nan 8.150 nan 0.000 0.443 428 C N -1.315 117.984 119.300 -0.001 0.000 2.429 428 C HA -0.065 4.395 4.460 0.000 0.000 0.277 428 C C 2.528 177.534 174.990 0.027 0.000 1.262 428 C CA 1.164 60.182 59.018 -0.000 0.000 1.733 428 C CB -1.336 26.392 27.740 -0.020 0.000 2.010 428 C HN 0.677 nan 8.230 nan 0.000 0.483 429 L N 1.840 123.091 121.223 0.045 0.000 2.046 429 L HA -0.010 4.330 4.340 0.000 0.000 0.208 429 L C 2.568 179.536 176.870 0.163 0.000 1.077 429 L CA 2.271 57.172 54.840 0.102 0.000 0.747 429 L CB -0.991 41.130 42.059 0.102 0.000 0.896 429 L HN 0.270 nan 8.230 nan 0.000 0.432 430 A N -0.564 122.319 122.820 0.105 0.000 1.883 430 A HA -0.262 4.058 4.320 0.000 0.000 0.217 430 A C 2.292 179.943 177.584 0.111 0.000 1.186 430 A CA 2.400 54.496 52.037 0.099 0.000 0.624 430 A CB -0.582 18.453 19.000 0.057 0.000 0.822 430 A HN 0.539 nan 8.150 nan 0.000 0.444 431 M N -1.602 118.043 119.600 0.074 0.000 2.254 431 M HA -0.094 4.386 4.480 0.000 0.000 0.265 431 M C 2.106 178.443 176.300 0.061 0.000 1.066 431 M CA 1.578 56.913 55.300 0.060 0.000 1.123 431 M CB -0.245 32.374 32.600 0.032 0.000 1.388 431 M HN 0.488 nan 8.290 nan 0.000 0.425 432 E N 0.381 120.612 120.200 0.052 0.000 2.118 432 E HA -0.198 4.152 4.350 0.000 0.000 0.195 432 E C 1.286 177.877 176.600 -0.016 0.000 0.992 432 E CA 1.731 58.130 56.400 -0.001 0.000 0.804 432 E CB -0.217 29.461 29.700 -0.036 0.000 0.741 432 E HN 0.503 nan 8.360 nan 0.000 0.458 433 Y N -0.718 119.586 120.300 0.007 0.000 2.490 433 Y HA 0.220 4.770 4.550 0.000 0.000 0.281 433 Y C 1.391 177.296 175.900 0.007 0.000 1.174 433 Y CA 0.808 58.912 58.100 0.007 0.000 1.295 433 Y CB 0.502 38.963 38.460 0.001 0.000 1.062 433 Y HN 0.202 nan 8.280 nan 0.000 0.522 434 G N 0.434 109.323 108.800 0.149 0.000 2.221 434 G HA2 -0.219 3.742 3.960 0.000 0.000 0.265 434 G HA3 -0.219 3.742 3.960 0.000 0.000 0.265 434 G C 0.388 175.340 174.900 0.087 0.000 1.041 434 G CA 0.041 45.200 45.100 0.098 0.000 0.807 434 G HN 0.636 nan 8.290 nan 0.000 0.502 435 A N -0.225 122.648 122.820 0.088 0.000 2.406 435 A HA 0.740 5.060 4.320 0.000 0.000 0.243 435 A C 1.086 178.683 177.584 0.021 0.000 1.082 435 A CA 0.921 52.980 52.037 0.037 0.000 0.786 435 A CB 0.392 19.404 19.000 0.020 0.000 1.029 435 A HN 2.046 nan 8.150 nan 0.000 0.495 436 S N -0.105 115.588 115.700 -0.011 0.000 2.722 436 S HA 0.428 4.898 4.470 0.000 0.000 0.292 436 S C 1.169 175.756 174.600 -0.022 0.000 1.135 436 S CA 0.058 58.250 58.200 -0.014 0.000 1.003 436 S CB 1.291 64.462 63.200 -0.048 0.000 1.067 436 S HN 1.581 nan 8.310 nan 0.000 0.546 437 S N -0.264 115.447 115.700 0.018 0.000 2.419 437 S HA -0.195 4.276 4.470 0.000 0.000 0.233 437 S C 1.550 176.124 174.600 -0.045 0.000 1.016 437 S CA 1.231 59.473 58.200 0.070 0.000 0.974 437 S CB -0.782 62.535 63.200 0.195 0.000 0.786 437 S HN 0.877 nan 8.310 nan 0.000 0.492 438 E N 1.251 121.240 120.200 -0.353 0.000 2.152 438 E HA -0.168 4.182 4.350 0.000 0.000 0.192 438 E C 1.225 177.531 176.600 -0.491 0.000 0.983 438 E CA 1.284 57.059 56.400 -1.043 0.000 0.818 438 E CB -0.203 28.797 29.700 -1.167 0.000 0.758 438 E HN 0.459 nan 8.360 nan 0.000 0.467 439 D N 0.039 120.285 120.400 -0.256 0.000 2.123 439 D HA -0.154 4.487 4.640 0.000 0.000 0.196 439 D C 1.971 178.224 176.300 -0.078 0.000 0.992 439 D CA 1.243 55.153 54.000 -0.151 0.000 0.833 439 D CB -0.083 40.652 40.800 -0.108 0.000 0.954 439 D HN 0.135 nan 8.370 nan 0.000 0.455 440 V N 0.425 120.322 119.914 -0.029 0.000 2.407 440 V HA -0.028 4.093 4.120 0.000 0.000 0.245 440 V C 2.483 178.641 176.094 0.107 0.000 1.041 440 V CA 1.706 64.046 62.300 0.067 0.000 1.040 440 V CB -0.770 31.097 31.823 0.073 0.000 0.671 440 V HN 0.225 nan 8.190 nan 0.000 0.455 441 G N -0.118 108.735 108.800 0.089 0.000 2.448 441 G HA2 -0.203 3.757 3.960 0.000 0.000 0.219 441 G HA3 -0.203 3.757 3.960 0.000 0.000 0.219 441 G C 1.650 176.652 174.900 0.170 0.000 1.127 441 G CA 0.298 45.517 45.100 0.199 0.000 0.766 441 G HN 0.441 nan 8.290 nan 0.000 0.552 442 R N -0.123 120.416 120.500 0.065 0.000 2.317 442 R HA 0.115 4.455 4.340 0.000 0.000 0.208 442 R C 0.114 176.452 176.300 0.064 0.000 0.914 442 R CA -0.013 56.123 56.100 0.061 0.000 1.060 442 R CB 0.280 30.564 30.300 -0.027 0.000 1.015 442 R HN 0.132 nan 8.270 nan 0.000 0.498 443 T N 0.407 115.024 114.554 0.105 0.000 2.897 443 T HA 0.039 4.389 4.350 0.000 0.000 0.294 443 T C -0.086 174.718 174.700 0.173 0.000 1.004 443 T CA -0.288 61.863 62.100 0.085 0.000 1.106 443 T CB 1.572 70.467 68.868 0.045 0.000 0.949 443 T HN 0.166 nan 8.240 nan 0.000 0.520 444 C N 6.014 125.351 119.300 0.060 0.000 2.627 444 C HA 0.211 4.671 4.460 0.000 0.000 0.404 444 C C 0.255 175.270 174.990 0.042 0.000 1.340 444 C CA -0.411 58.658 59.018 0.085 0.000 1.758 444 C CB -1.610 26.145 27.740 0.025 0.000 2.501 444 C HN 0.800 nan 8.230 nan 0.000 0.588 445 H N 3.899 122.977 119.070 0.013 0.000 2.492 445 H HA 0.495 5.051 4.556 0.000 0.000 0.345 445 H C 0.365 175.714 175.328 0.036 0.000 1.136 445 H CA -0.362 55.695 56.048 0.015 0.000 1.202 445 H CB 1.793 31.559 29.762 0.006 0.000 1.524 445 H HN 0.888 nan 8.280 nan 0.000 0.506 446 A N 2.154 125.041 122.820 0.112 0.000 2.483 446 A HA 0.039 4.359 4.320 0.000 0.000 0.238 446 A C -0.276 177.390 177.584 0.136 0.000 1.070 446 A CA 0.273 52.370 52.037 0.100 0.000 0.770 446 A CB -0.236 18.795 19.000 0.052 0.000 1.008 446 A HN 0.833 nan 8.150 nan 0.000 0.497 447 H N 1.981 121.078 119.070 0.046 0.000 2.529 447 H HA 0.624 5.180 4.556 0.000 0.000 0.348 447 H C -2.475 172.876 175.328 0.039 0.000 1.079 447 H CA -1.558 54.516 56.048 0.043 0.000 1.198 447 H CB 1.429 31.213 29.762 0.037 0.000 1.521 447 H HN 0.563 nan 8.280 nan 0.000 0.514 448 P HA 0.265 nan 4.420 nan 0.000 0.297 448 P C -1.265 175.926 177.300 -0.182 0.000 1.319 448 P CA -0.554 62.196 63.100 -0.583 0.000 0.810 448 P CB 1.567 32.939 31.700 -0.547 0.000 0.947 449 T N -1.195 113.305 114.554 -0.091 0.000 2.883 449 T HA 0.388 4.739 4.350 0.000 0.000 0.301 449 T C 1.096 175.835 174.700 0.064 0.000 1.158 449 T CA -0.900 61.202 62.100 0.003 0.000 1.007 449 T CB 1.233 70.125 68.868 0.040 0.000 1.186 449 T HN 0.178 nan 8.240 nan 0.000 0.499 450 M N 1.410 121.075 119.600 0.109 0.000 2.374 450 M HA -0.045 4.435 4.480 0.000 0.000 0.264 450 M C 2.421 178.862 176.300 0.235 0.000 1.067 450 M CA 1.409 56.865 55.300 0.261 0.000 1.103 450 M CB -0.367 32.326 32.600 0.155 0.000 1.402 450 M HN 0.900 nan 8.290 nan 0.000 0.444 451 S N 0.190 115.972 115.700 0.138 0.000 2.469 451 S HA -0.141 4.329 4.470 0.000 0.000 0.238 451 S C 1.382 175.994 174.600 0.019 0.000 0.998 451 S CA 1.047 59.329 58.200 0.136 0.000 0.957 451 S CB -0.513 62.809 63.200 0.203 0.000 0.764 451 S HN 0.550 nan 8.310 nan 0.000 0.514 452 E N 1.497 121.682 120.200 -0.025 0.000 2.265 452 E HA -0.002 4.348 4.350 0.000 0.000 0.196 452 E C 2.253 178.609 176.600 -0.407 0.000 0.996 452 E CA 0.847 57.127 56.400 -0.200 0.000 0.832 452 E CB -0.352 29.283 29.700 -0.107 0.000 0.756 452 E HN 0.773 nan 8.360 nan 0.000 0.491 453 A N 1.031 123.642 122.820 -0.348 0.000 1.968 453 A HA -0.116 4.204 4.320 0.000 0.000 0.217 453 A C 2.102 179.459 177.584 -0.377 0.000 1.169 453 A CA 0.694 52.367 52.037 -0.607 0.000 0.638 453 A CB -0.269 18.371 19.000 -0.601 0.000 0.812 453 A HN 0.223 nan 8.150 nan 0.000 0.446 454 L N 0.106 121.211 121.223 -0.197 0.000 2.072 454 L HA -0.055 4.285 4.340 0.000 0.000 0.205 454 L C 2.230 178.974 176.870 -0.209 0.000 1.079 454 L CA 2.527 57.297 54.840 -0.116 0.000 0.752 454 L CB -0.557 41.492 42.059 -0.018 0.000 0.906 454 L HN 0.429 nan 8.230 nan 0.000 0.436 455 K N -0.376 119.774 120.400 -0.417 0.000 2.032 455 K HA -0.212 4.108 4.320 0.000 0.000 0.209 455 K C 1.885 178.329 176.600 -0.261 0.000 1.048 455 K CA 1.977 57.991 56.287 -0.455 0.000 0.927 455 K CB -0.179 31.868 32.500 -0.755 0.000 0.712 455 K HN 0.512 nan 8.250 nan 0.000 0.441 456 E N -0.230 119.735 120.200 -0.393 0.000 2.208 456 E HA -0.111 4.239 4.350 0.000 0.000 0.193 456 E C 1.914 178.438 176.600 -0.127 0.000 0.988 456 E CA 0.705 56.898 56.400 -0.345 0.000 0.828 456 E CB 0.030 29.273 29.700 -0.762 0.000 0.763 456 E HN 0.437 nan 8.360 nan 0.000 0.478 457 A N 0.801 123.562 122.820 -0.098 0.000 1.930 457 A HA -0.161 4.159 4.320 0.000 0.000 0.217 457 A C 2.397 180.021 177.584 0.066 0.000 1.175 457 A CA 0.911 52.986 52.037 0.065 0.000 0.627 457 A CB -0.694 18.354 19.000 0.079 0.000 0.815 457 A HN 0.312 nan 8.150 nan 0.000 0.443 458 C N -1.008 118.322 119.300 0.050 0.000 2.440 458 C HA -0.067 4.393 4.460 0.000 0.000 0.278 458 C C 2.828 177.944 174.990 0.210 0.000 1.295 458 C CA 1.270 60.374 59.018 0.144 0.000 1.738 458 C CB -1.220 26.606 27.740 0.144 0.000 1.987 458 C HN 0.646 nan 8.230 nan 0.000 0.492 459 M N 0.897 120.547 119.600 0.084 0.000 2.213 459 M HA -0.127 4.353 4.480 0.000 0.000 0.263 459 M C 2.333 178.467 176.300 -0.276 0.000 1.062 459 M CA 1.748 56.925 55.300 -0.204 0.000 1.105 459 M CB -0.406 32.096 32.600 -0.165 0.000 1.385 459 M HN 0.440 nan 8.290 nan 0.000 0.417 460 A N 0.087 122.872 122.820 -0.058 0.000 2.119 460 A HA -0.020 4.300 4.320 0.000 0.000 0.217 460 A C 1.979 179.553 177.584 -0.016 0.000 1.153 460 A CA 1.039 53.064 52.037 -0.019 0.000 0.692 460 A CB -0.550 18.500 19.000 0.083 0.000 0.799 460 A HN 0.434 nan 8.150 nan 0.000 0.458 461 L N -1.670 119.574 121.223 0.035 0.000 2.071 461 L HA 0.001 4.341 4.340 0.000 0.000 0.201 461 L C 2.359 179.292 176.870 0.105 0.000 1.076 461 L CA 1.455 56.353 54.840 0.097 0.000 0.755 461 L CB -0.656 41.504 42.059 0.169 0.000 0.915 461 L HN 0.607 nan 8.230 nan 0.000 0.445 462 F N -1.058 118.910 119.950 0.030 0.000 2.743 462 F HA 0.555 5.082 4.527 0.000 0.000 0.297 462 F C 0.928 176.739 175.800 0.019 0.000 1.131 462 F CA 0.001 58.015 58.000 0.023 0.000 1.426 462 F CB -0.410 38.602 39.000 0.020 0.000 1.116 462 F HN -0.013 nan 8.300 nan 0.000 0.583 463 A N 0.167 122.593 122.820 -0.657 0.000 3.082 463 A HA 0.626 4.946 4.320 0.000 0.000 0.167 463 A C -0.845 176.551 177.584 -0.315 0.000 1.017 463 A CA -0.793 50.946 52.037 -0.496 0.000 1.746 463 A CB 0.517 19.067 19.000 -0.749 0.000 2.374 463 A HN 0.071 nan 8.150 nan 0.000 0.935 464 K N 0.574 120.804 120.400 -0.283 0.000 2.435 464 K HA 0.545 4.865 4.320 0.000 0.000 0.251 464 K C -0.841 175.690 176.600 -0.115 0.000 0.954 464 K CA -0.184 56.015 56.287 -0.146 0.000 0.820 464 K CB 2.079 34.523 32.500 -0.092 0.000 1.292 464 K HN 0.857 nan 8.250 nan 0.000 0.436 465 T N -1.391 113.160 114.554 -0.004 0.000 2.813 465 T HA 0.248 4.598 4.350 0.000 0.000 0.297 465 T C 1.290 176.035 174.700 0.076 0.000 1.036 465 T CA -0.278 61.869 62.100 0.079 0.000 1.044 465 T CB 0.490 69.550 68.868 0.319 0.000 0.993 465 T HN 0.480 nan 8.240 nan 0.000 0.535 466 I N 0.435 121.062 120.570 0.095 0.000 2.810 466 I HA 0.090 4.260 4.170 0.000 0.000 0.262 466 I C 2.048 178.247 176.117 0.137 0.000 1.131 466 I CA 0.192 61.537 61.300 0.075 0.000 1.453 466 I CB -0.037 37.986 38.000 0.039 0.000 1.161 466 I HN 0.600 nan 8.210 nan 0.000 0.444 467 N N 0.363 119.216 118.700 0.256 0.000 2.313 467 N HA 0.188 4.928 4.740 0.000 0.000 0.207 467 N C -0.395 175.348 175.510 0.387 0.000 1.141 467 N CA 0.273 53.513 53.050 0.316 0.000 0.830 467 N CB 0.822 39.519 38.487 0.349 0.000 1.008 467 N HN 0.193 nan 8.380 nan 0.000 0.481 468 F N 0.000 120.027 119.950 0.128 0.000 2.286 468 F HA 0.000 4.527 4.527 0.000 0.000 0.279 468 F CA 0.000 57.959 58.000 -0.068 0.000 1.383 468 F CB 0.000 38.785 39.000 -0.358 0.000 1.145 468 F HN 0.000 nan 8.300 nan 0.000 0.574