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 2fzc_1_C DATA FIRST_RESID 1 DATA SEQUENCE ANPLYQKHII SINDLSRDDL NLVLATAAKL KANPQPELLK HKVIASCFFE DATA SEQUENCE ASTRTRLSFE TSMHRLGASV VGFSDSANTS LGKKGETLAD TISVISTYVD DATA SEQUENCE AIVMRHPQEG AARLATEFSG NVPVLNAGDG SNQHPTQTLL DLFTIQETQG DATA SEQUENCE RLDNLHVAMV GDLKYGRTVH SLTQALAKFD GNRFYFIAPD ALAMPQYILD DATA SEQUENCE MLDEKGIAWS LHSSIEEVMA EVDILYMTRV QKERLDPSEY ANVKAQFVLR DATA SEQUENCE ASDLHNAKAN MKVLHPLPRV DEIATDVDKT PHAWYFQQAG NGIFARQALL DATA SEQUENCE ALVLNRDLVL 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.571 177.584 -0.022 0.000 1.274 1 A CA 0.000 51.964 52.037 -0.122 0.000 0.836 1 A CB 0.000 18.871 19.000 -0.215 0.000 0.831 2 N N 1.075 119.777 118.700 0.004 0.000 2.415 2 N HA 0.400 5.140 4.740 -0.000 0.000 0.248 2 N C -1.901 173.658 175.510 0.082 0.000 1.271 2 N CA -0.584 52.493 53.050 0.045 0.000 0.913 2 N CB 0.354 38.873 38.487 0.053 0.000 1.129 2 N HN 0.191 nan 8.380 nan 0.000 0.444 3 P HA -0.119 nan 4.420 nan 0.000 0.220 3 P C 0.552 177.892 177.300 0.067 0.000 1.144 3 P CA 1.158 64.294 63.100 0.060 0.000 0.800 3 P CB 0.162 31.888 31.700 0.044 0.000 0.772 4 L N -3.799 117.472 121.223 0.079 0.000 2.640 4 L HA 0.136 4.476 4.340 -0.000 0.000 0.230 4 L C 0.703 177.612 176.870 0.066 0.000 1.123 4 L CA -0.631 54.245 54.840 0.061 0.000 0.900 4 L CB -0.420 41.673 42.059 0.057 0.000 1.146 4 L HN -0.029 nan 8.230 nan 0.000 0.484 5 Y N 2.619 122.914 120.300 -0.009 0.000 2.717 5 Y HA -0.140 4.410 4.550 -0.000 0.000 0.330 5 Y C 1.115 176.993 175.900 -0.037 0.000 1.217 5 Y CA -0.062 58.029 58.100 -0.015 0.000 1.506 5 Y CB 0.259 38.713 38.460 -0.010 0.000 1.268 5 Y HN 0.187 nan 8.280 nan 0.000 0.561 6 Q N 1.917 121.246 119.800 -0.786 0.000 2.450 6 Q HA -0.283 4.056 4.340 -0.000 0.000 0.255 6 Q C -0.596 175.162 176.000 -0.403 0.000 1.003 6 Q CA 1.147 56.559 55.803 -0.652 0.000 1.097 6 Q CB -0.995 27.268 28.738 -0.792 0.000 1.544 6 Q HN 0.626 nan 8.270 nan 0.000 0.531 7 K N 0.842 121.080 120.400 -0.270 0.000 2.118 7 K HA 0.306 4.626 4.320 -0.000 0.000 0.267 7 K C 0.200 176.661 176.600 -0.232 0.000 0.991 7 K CA -0.578 55.571 56.287 -0.231 0.000 0.916 7 K CB 0.715 33.164 32.500 -0.084 0.000 1.041 7 K HN 0.123 nan 8.250 nan 0.000 0.455 8 H N 2.107 121.159 119.070 -0.030 0.000 2.652 8 H HA 0.160 4.716 4.556 -0.000 0.000 0.349 8 H C 0.121 175.453 175.328 0.006 0.000 1.099 8 H CA 0.031 56.068 56.048 -0.017 0.000 1.417 8 H CB 0.752 30.502 29.762 -0.021 0.000 1.457 8 H HN 0.213 nan 8.280 nan 0.000 0.568 9 I N 5.041 125.697 120.570 0.144 0.000 2.460 9 I HA 0.089 4.259 4.170 -0.000 0.000 0.277 9 I C 0.932 177.114 176.117 0.109 0.000 1.057 9 I CA 0.049 61.417 61.300 0.114 0.000 1.179 9 I CB 0.036 38.108 38.000 0.120 0.000 1.329 9 I HN 0.536 nan 8.210 nan 0.000 0.478 10 I N 2.044 122.669 120.570 0.091 0.000 3.565 10 I HA 0.115 4.285 4.170 -0.000 0.000 0.287 10 I C 0.909 177.066 176.117 0.067 0.000 1.193 10 I CA 0.568 61.906 61.300 0.063 0.000 1.402 10 I CB 0.503 38.519 38.000 0.027 0.000 1.284 10 I HN 0.467 nan 8.210 nan 0.000 0.454 11 S N -0.270 115.470 115.700 0.067 0.000 2.546 11 S HA 0.409 4.879 4.470 -0.000 0.000 0.274 11 S C 0.660 175.303 174.600 0.072 0.000 1.121 11 S CA -0.639 57.601 58.200 0.068 0.000 0.887 11 S CB 1.247 64.475 63.200 0.046 0.000 1.094 11 S HN 0.056 nan 8.310 nan 0.000 0.474 12 I N 3.821 124.439 120.570 0.080 0.000 2.454 12 I HA -0.115 4.055 4.170 -0.000 0.000 0.254 12 I C 1.807 177.962 176.117 0.063 0.000 1.156 12 I CA 1.355 62.704 61.300 0.080 0.000 1.433 12 I CB -1.429 36.624 38.000 0.089 0.000 1.082 12 I HN 0.723 nan 8.210 nan 0.000 0.432 13 N N 0.775 119.507 118.700 0.053 0.000 2.364 13 N HA -0.171 4.568 4.740 -0.000 0.000 0.183 13 N C 0.777 176.304 175.510 0.030 0.000 1.022 13 N CA 0.831 53.903 53.050 0.037 0.000 0.883 13 N CB 0.036 38.539 38.487 0.027 0.000 0.965 13 N HN 0.352 nan 8.380 nan 0.000 0.438 14 D N 0.315 120.736 120.400 0.036 0.000 2.350 14 D HA 0.109 4.748 4.640 -0.000 0.000 0.213 14 D C 0.039 176.360 176.300 0.035 0.000 1.031 14 D CA 0.374 54.394 54.000 0.032 0.000 0.861 14 D CB 0.432 41.255 40.800 0.039 0.000 0.926 14 D HN 0.210 nan 8.370 nan 0.000 0.520 15 L N 1.214 122.462 121.223 0.042 0.000 2.296 15 L HA 0.266 4.606 4.340 -0.000 0.000 0.286 15 L C 0.717 177.603 176.870 0.027 0.000 1.023 15 L CA -0.681 54.185 54.840 0.043 0.000 0.812 15 L CB 1.721 43.819 42.059 0.065 0.000 1.223 15 L HN -0.158 nan 8.230 nan 0.000 0.421 16 S N 2.604 118.312 115.700 0.012 0.000 2.632 16 S HA 0.266 4.736 4.470 -0.000 0.000 0.267 16 S C 1.071 175.648 174.600 -0.039 0.000 1.276 16 S CA -0.636 57.551 58.200 -0.021 0.000 0.998 16 S CB 1.525 64.713 63.200 -0.020 0.000 0.953 16 S HN 0.759 nan 8.310 nan 0.000 0.547 17 R N 0.554 120.975 120.500 -0.131 0.000 2.103 17 R HA -0.176 4.164 4.340 -0.000 0.000 0.242 17 R C 0.941 177.199 176.300 -0.069 0.000 1.142 17 R CA 2.210 58.159 56.100 -0.252 0.000 0.960 17 R CB -0.647 29.373 30.300 -0.466 0.000 0.858 17 R HN 0.777 nan 8.270 nan 0.000 0.439 18 D N 0.413 120.791 120.400 -0.036 0.000 2.144 18 D HA -0.133 4.507 4.640 -0.000 0.000 0.200 18 D C 1.388 177.718 176.300 0.050 0.000 0.978 18 D CA 1.052 55.064 54.000 0.019 0.000 0.833 18 D CB -0.267 40.539 40.800 0.010 0.000 0.961 18 D HN 0.300 nan 8.370 nan 0.000 0.470 19 D N 0.709 121.135 120.400 0.043 0.000 2.097 19 D HA -0.092 4.548 4.640 -0.000 0.000 0.195 19 D C 2.466 178.819 176.300 0.088 0.000 0.989 19 D CA 0.409 54.444 54.000 0.058 0.000 0.827 19 D CB -0.358 40.473 40.800 0.051 0.000 0.966 19 D HN 0.224 nan 8.370 nan 0.000 0.456 20 L N 0.717 122.010 121.223 0.116 0.000 2.012 20 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 20 L C 2.104 179.087 176.870 0.189 0.000 1.073 20 L CA 1.305 56.252 54.840 0.178 0.000 0.748 20 L CB -0.623 41.605 42.059 0.282 0.000 0.891 20 L HN 0.060 nan 8.230 nan 0.000 0.431 21 N N -0.231 118.593 118.700 0.207 0.000 2.104 21 N HA -0.232 4.508 4.740 -0.000 0.000 0.190 21 N C 1.779 177.362 175.510 0.121 0.000 1.024 21 N CA 0.952 54.113 53.050 0.185 0.000 0.853 21 N CB -0.125 38.468 38.487 0.176 0.000 1.008 21 N HN 0.146 nan 8.380 nan 0.000 0.424 22 L N 1.094 122.374 121.223 0.094 0.000 1.994 22 L HA -0.119 4.221 4.340 -0.000 0.000 0.208 22 L C 1.965 178.868 176.870 0.055 0.000 1.071 22 L CA 1.473 56.354 54.840 0.067 0.000 0.745 22 L CB -0.649 41.445 42.059 0.058 0.000 0.892 22 L HN -0.036 nan 8.230 nan 0.000 0.431 23 V N -0.003 119.945 119.914 0.058 0.000 2.287 23 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 23 V C 2.602 178.690 176.094 -0.010 0.000 1.053 23 V CA 2.117 64.433 62.300 0.027 0.000 1.027 23 V CB -0.699 31.148 31.823 0.040 0.000 0.646 23 V HN 0.472 nan 8.190 nan 0.000 0.447 24 L N 0.055 121.305 121.223 0.044 0.000 2.093 24 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 24 L C 2.730 179.632 176.870 0.053 0.000 1.085 24 L CA 1.456 56.329 54.840 0.055 0.000 0.755 24 L CB -0.952 41.244 42.059 0.228 0.000 0.904 24 L HN 0.372 nan 8.230 nan 0.000 0.435 25 A N -0.044 122.819 122.820 0.071 0.000 1.969 25 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 25 A C 2.355 179.951 177.584 0.021 0.000 1.169 25 A CA 2.104 54.181 52.037 0.067 0.000 0.635 25 A CB -0.722 18.317 19.000 0.065 0.000 0.810 25 A HN 0.368 nan 8.150 nan 0.000 0.445 26 T N 0.122 114.672 114.554 -0.008 0.000 2.857 26 T HA 0.075 4.425 4.350 -0.000 0.000 0.266 26 T C 2.201 176.858 174.700 -0.071 0.000 1.048 26 T CA 1.245 63.332 62.100 -0.022 0.000 1.139 26 T CB -0.320 68.543 68.868 -0.009 0.000 0.874 26 T HN 0.566 nan 8.240 nan 0.000 0.455 27 A N 1.490 124.195 122.820 -0.192 0.000 1.930 27 A HA 0.203 4.523 4.320 -0.000 0.000 0.217 27 A C 2.626 180.038 177.584 -0.285 0.000 1.175 27 A CA 1.688 53.505 52.037 -0.367 0.000 0.627 27 A CB -1.020 17.426 19.000 -0.923 0.000 0.815 27 A HN 0.492 nan 8.150 nan 0.000 0.443 28 A N 0.003 122.749 122.820 -0.123 0.000 1.902 28 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 28 A C 2.116 179.708 177.584 0.013 0.000 1.181 28 A CA 1.730 53.837 52.037 0.117 0.000 0.623 28 A CB -0.402 18.733 19.000 0.224 0.000 0.818 28 A HN 0.541 nan 8.150 nan 0.000 0.443 29 K N -0.389 120.012 120.400 0.002 0.000 2.057 29 K HA -0.015 4.305 4.320 -0.000 0.000 0.206 29 K C 1.806 178.402 176.600 -0.006 0.000 1.050 29 K CA 1.372 57.660 56.287 0.001 0.000 0.935 29 K CB -0.383 32.123 32.500 0.010 0.000 0.715 29 K HN 0.457 nan 8.250 nan 0.000 0.439 30 L N 1.132 122.355 121.223 0.001 0.000 2.217 30 L HA -0.102 4.238 4.340 -0.000 0.000 0.211 30 L C 2.563 179.448 176.870 0.023 0.000 1.107 30 L CA 0.906 55.772 54.840 0.043 0.000 0.783 30 L CB -0.284 41.831 42.059 0.094 0.000 0.919 30 L HN 0.151 nan 8.230 nan 0.000 0.442 31 K N 0.702 121.016 120.400 -0.144 0.000 2.097 31 K HA -0.164 4.156 4.320 -0.000 0.000 0.206 31 K C 2.100 178.543 176.600 -0.263 0.000 1.049 31 K CA 1.364 57.309 56.287 -0.571 0.000 0.933 31 K CB -0.021 31.920 32.500 -0.931 0.000 0.717 31 K HN 0.261 nan 8.250 nan 0.000 0.442 32 A N 0.659 123.401 122.820 -0.129 0.000 1.930 32 A HA -0.056 4.263 4.320 -0.000 0.000 0.215 32 A C 0.911 178.480 177.584 -0.025 0.000 1.176 32 A CA 1.003 53.002 52.037 -0.063 0.000 0.632 32 A CB -0.163 18.817 19.000 -0.033 0.000 0.819 32 A HN 0.486 nan 8.150 nan 0.000 0.445 33 N N 0.315 119.010 118.700 -0.008 0.000 2.716 33 N HA 0.309 5.049 4.740 -0.000 0.000 0.253 33 N C -3.257 172.271 175.510 0.030 0.000 1.170 33 N CA -1.517 51.540 53.050 0.012 0.000 0.807 33 N CB 1.317 39.810 38.487 0.010 0.000 1.183 33 N HN -0.015 nan 8.380 nan 0.000 0.524 34 P HA 0.038 nan 4.420 nan 0.000 0.269 34 P C -0.985 176.345 177.300 0.050 0.000 1.209 34 P CA 0.099 63.241 63.100 0.070 0.000 0.776 34 P CB 0.597 32.348 31.700 0.085 0.000 0.876 35 Q N 3.156 122.987 119.800 0.052 0.000 2.907 35 Q HA 0.176 4.516 4.340 -0.000 0.000 0.262 35 Q C -1.889 174.133 176.000 0.036 0.000 0.997 35 Q CA -1.508 54.316 55.803 0.036 0.000 0.797 35 Q CB 1.361 30.118 28.738 0.032 0.000 1.228 35 Q HN 0.407 nan 8.270 nan 0.000 0.466 36 P HA -0.098 nan 4.420 nan 0.000 0.231 36 P C 0.489 177.801 177.300 0.020 0.000 1.158 36 P CA 1.040 64.161 63.100 0.035 0.000 0.763 36 P CB 0.567 32.289 31.700 0.036 0.000 0.805 37 E N -1.848 118.355 120.200 0.006 0.000 2.601 37 E HA 0.120 4.470 4.350 -0.000 0.000 0.219 37 E C 1.459 178.042 176.600 -0.028 0.000 0.964 37 E CA -0.264 56.123 56.400 -0.021 0.000 1.050 37 E CB -0.619 29.061 29.700 -0.033 0.000 1.068 37 E HN -0.095 nan 8.360 nan 0.000 0.496 38 L N 0.355 121.576 121.223 -0.003 0.000 2.034 38 L HA -0.153 4.187 4.340 -0.000 0.000 0.217 38 L C 1.060 177.930 176.870 -0.001 0.000 1.077 38 L CA 1.857 56.699 54.840 0.003 0.000 0.769 38 L CB -0.019 42.052 42.059 0.021 0.000 0.890 38 L HN 0.215 nan 8.230 nan 0.000 0.435 39 L N -0.051 121.173 121.223 0.001 0.000 2.928 39 L HA 0.140 4.479 4.340 -0.000 0.000 0.246 39 L C 0.581 177.441 176.870 -0.017 0.000 1.239 39 L CA -0.424 54.420 54.840 0.007 0.000 1.035 39 L CB -0.507 41.567 42.059 0.024 0.000 1.360 39 L HN 0.214 nan 8.230 nan 0.000 0.529 40 K N -0.365 119.984 120.400 -0.085 0.000 2.414 40 K HA 0.028 4.347 4.320 -0.000 0.000 0.272 40 K C 0.043 176.541 176.600 -0.170 0.000 0.993 40 K CA 0.144 56.329 56.287 -0.171 0.000 0.964 40 K CB 0.270 32.578 32.500 -0.319 0.000 0.925 40 K HN 0.322 nan 8.250 nan 0.000 0.487 41 H N -1.541 117.549 119.070 0.034 0.000 3.642 41 H HA -0.112 4.444 4.556 -0.000 0.000 0.185 41 H C -0.638 174.709 175.328 0.032 0.000 0.992 41 H CA 0.714 56.780 56.048 0.031 0.000 1.216 41 H CB -0.621 29.159 29.762 0.030 0.000 1.055 41 H HN 0.542 nan 8.280 nan 0.000 0.351 42 K N 1.593 122.068 120.400 0.124 0.000 2.130 42 K HA 0.569 4.889 4.320 -0.000 0.000 0.268 42 K C 0.013 176.651 176.600 0.064 0.000 0.983 42 K CA -0.543 55.795 56.287 0.084 0.000 0.893 42 K CB 2.529 35.065 32.500 0.059 0.000 1.066 42 K HN -0.056 nan 8.250 nan 0.000 0.450 43 V N 4.350 124.297 119.914 0.056 0.000 2.495 43 V HA 0.509 4.629 4.120 -0.000 0.000 0.298 43 V C 0.003 176.115 176.094 0.030 0.000 1.031 43 V CA -0.840 61.486 62.300 0.042 0.000 0.871 43 V CB 1.606 33.461 31.823 0.052 0.000 0.988 43 V HN 0.578 nan 8.190 nan 0.000 0.432 44 I N 3.173 123.747 120.570 0.005 0.000 2.509 44 I HA 0.723 4.893 4.170 -0.000 0.000 0.293 44 I C 0.200 176.304 176.117 -0.021 0.000 1.020 44 I CA -0.785 60.508 61.300 -0.011 0.000 1.088 44 I CB 2.108 40.090 38.000 -0.031 0.000 1.267 44 I HN 0.665 nan 8.210 nan 0.000 0.430 45 A N 3.634 126.437 122.820 -0.028 0.000 2.289 45 A HA 0.520 4.840 4.320 -0.000 0.000 0.298 45 A C -0.055 177.450 177.584 -0.132 0.000 1.208 45 A CA -0.300 51.706 52.037 -0.052 0.000 0.845 45 A CB 0.888 19.877 19.000 -0.017 0.000 1.125 45 A HN 0.618 nan 8.150 nan 0.000 0.517 46 S N 2.052 117.664 115.700 -0.147 0.000 2.512 46 S HA 0.351 4.821 4.470 -0.000 0.000 0.291 46 S C -0.630 173.781 174.600 -0.314 0.000 1.151 46 S CA -0.513 57.617 58.200 -0.117 0.000 1.120 46 S CB -0.662 62.551 63.200 0.021 0.000 1.029 46 S HN 0.700 nan 8.310 nan 0.000 0.485 47 C N 6.226 125.200 119.300 -0.542 0.000 2.125 47 C HA 0.446 4.906 4.460 -0.000 0.000 0.355 47 C C -0.191 174.269 174.990 -0.884 0.000 1.047 47 C CA -0.834 57.536 59.018 -1.080 0.000 1.501 47 C CB -2.085 25.220 27.740 -0.726 0.000 1.783 47 C HN 0.816 nan 8.230 nan 0.000 0.455 48 F N 2.589 122.102 119.950 -0.728 0.000 2.467 48 F HA 0.306 4.833 4.527 -0.000 0.000 0.349 48 F C 1.095 176.857 175.800 -0.064 0.000 1.182 48 F CA -0.869 56.982 58.000 -0.247 0.000 1.279 48 F CB -0.279 38.632 39.000 -0.149 0.000 1.626 48 F HN 0.515 nan 8.300 nan 0.000 0.596 49 F N 0.258 120.297 119.950 0.148 0.000 2.202 49 F HA -0.174 4.352 4.527 -0.000 0.000 0.301 49 F C 1.462 177.287 175.800 0.041 0.000 1.082 49 F CA 1.054 59.157 58.000 0.172 0.000 1.313 49 F CB -0.111 38.864 39.000 -0.042 0.000 1.024 49 F HN 0.254 nan 8.300 nan 0.000 0.495 50 E N 0.654 120.977 120.200 0.204 0.000 2.145 50 E HA 0.537 4.887 4.350 -0.000 0.000 0.270 50 E C -0.625 176.109 176.600 0.223 0.000 0.906 50 E CA -0.867 55.618 56.400 0.141 0.000 0.761 50 E CB 1.286 31.038 29.700 0.086 0.000 1.116 50 E HN 0.065 nan 8.360 nan 0.000 0.408 51 A N 3.489 126.411 122.820 0.170 0.000 2.498 51 A HA 0.270 4.590 4.320 -0.000 0.000 0.239 51 A C 0.106 177.776 177.584 0.142 0.000 1.068 51 A CA 0.353 52.479 52.037 0.148 0.000 0.766 51 A CB 0.510 19.554 19.000 0.074 0.000 1.003 51 A HN 0.455 nan 8.150 nan 0.000 0.497 52 S N 1.639 117.378 115.700 0.065 0.000 2.548 52 S HA 0.271 4.740 4.470 -0.000 0.000 0.168 52 S C 0.873 175.392 174.600 -0.135 0.000 1.068 52 S CA 0.082 58.306 58.200 0.039 0.000 1.129 52 S CB -0.208 63.115 63.200 0.204 0.000 1.435 52 S HN 0.779 nan 8.310 nan 0.000 0.410 53 T N 3.360 117.855 114.554 -0.098 0.000 2.624 53 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 53 T C 1.857 176.507 174.700 -0.084 0.000 1.041 53 T CA 1.864 63.895 62.100 -0.115 0.000 1.159 53 T CB -0.279 68.555 68.868 -0.056 0.000 0.863 53 T HN 0.635 nan 8.240 nan 0.000 0.434 54 R N 0.255 120.749 120.500 -0.010 0.000 2.080 54 R HA -0.131 4.209 4.340 -0.000 0.000 0.236 54 R C 2.620 178.949 176.300 0.049 0.000 1.137 54 R CA 1.978 58.096 56.100 0.030 0.000 0.943 54 R CB -0.595 29.750 30.300 0.075 0.000 0.846 54 R HN 0.327 nan 8.270 nan 0.000 0.431 55 T N 0.189 114.803 114.554 0.100 0.000 2.821 55 T HA -0.134 4.215 4.350 -0.000 0.000 0.267 55 T C 1.729 176.525 174.700 0.159 0.000 1.046 55 T CA 1.419 63.651 62.100 0.220 0.000 1.139 55 T CB -0.201 68.915 68.868 0.412 0.000 0.871 55 T HN 0.319 nan 8.240 nan 0.000 0.454 56 R N 0.590 120.924 120.500 -0.276 0.000 2.066 56 R HA 0.049 4.388 4.340 -0.000 0.000 0.232 56 R C 2.366 178.576 176.300 -0.150 0.000 1.131 56 R CA 0.998 56.739 56.100 -0.598 0.000 0.955 56 R CB -0.386 29.117 30.300 -1.328 0.000 0.851 56 R HN 0.341 nan 8.270 nan 0.000 0.432 57 L N 0.165 121.320 121.223 -0.113 0.000 2.042 57 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 57 L C 2.697 179.582 176.870 0.025 0.000 1.076 57 L CA 1.604 56.425 54.840 -0.031 0.000 0.749 57 L CB -0.620 41.420 42.059 -0.032 0.000 0.893 57 L HN 0.324 nan 8.230 nan 0.000 0.432 58 S N -0.257 115.464 115.700 0.035 0.000 2.353 58 S HA -0.211 4.259 4.470 -0.000 0.000 0.222 58 S C 1.976 176.604 174.600 0.047 0.000 1.035 58 S CA 1.326 59.535 58.200 0.016 0.000 1.025 58 S CB -0.314 62.889 63.200 0.005 0.000 0.902 58 S HN 0.282 nan 8.310 nan 0.000 0.440 59 F N 2.049 122.027 119.950 0.048 0.000 2.134 59 F HA 0.019 4.546 4.527 -0.000 0.000 0.299 59 F C 2.478 178.294 175.800 0.026 0.000 1.097 59 F CA 1.632 59.673 58.000 0.068 0.000 1.264 59 F CB -0.480 38.621 39.000 0.169 0.000 1.001 59 F HN 0.366 nan 8.300 nan 0.000 0.479 60 E N -1.288 119.051 120.200 0.231 0.000 2.150 60 E HA -0.149 4.201 4.350 -0.000 0.000 0.193 60 E C 2.079 178.761 176.600 0.137 0.000 0.985 60 E CA 1.558 58.031 56.400 0.121 0.000 0.814 60 E CB -0.307 29.455 29.700 0.102 0.000 0.752 60 E HN 0.318 nan 8.360 nan 0.000 0.466 61 T N 0.754 115.388 114.554 0.132 0.000 2.708 61 T HA -0.124 4.226 4.350 -0.000 0.000 0.266 61 T C 2.147 176.887 174.700 0.067 0.000 1.037 61 T CA 1.346 63.516 62.100 0.116 0.000 1.146 61 T CB -0.170 68.714 68.868 0.027 0.000 0.865 61 T HN 0.059 nan 8.240 nan 0.000 0.435 62 S N 1.384 117.095 115.700 0.017 0.000 2.383 62 S HA -0.084 4.386 4.470 -0.000 0.000 0.229 62 S C 2.096 176.713 174.600 0.028 0.000 1.030 62 S CA 1.260 59.451 58.200 -0.015 0.000 1.002 62 S CB -0.409 62.758 63.200 -0.054 0.000 0.829 62 S HN 0.428 nan 8.310 nan 0.000 0.467 63 M N 0.516 120.134 119.600 0.030 0.000 2.086 63 M HA -0.115 4.365 4.480 -0.000 0.000 0.261 63 M C 2.104 178.349 176.300 -0.092 0.000 1.067 63 M CA 1.353 56.622 55.300 -0.052 0.000 1.116 63 M CB -0.557 31.949 32.600 -0.157 0.000 1.348 63 M HN 0.316 nan 8.290 nan 0.000 0.407 64 H N -0.176 118.918 119.070 0.040 0.000 2.423 64 H HA 0.030 4.586 4.556 -0.000 0.000 0.297 64 H C 2.109 177.449 175.328 0.020 0.000 1.075 64 H CA 1.037 57.100 56.048 0.026 0.000 1.342 64 H CB -0.187 29.586 29.762 0.018 0.000 1.395 64 H HN 0.230 nan 8.280 nan 0.000 0.530 65 R N 0.716 121.292 120.500 0.125 0.000 2.241 65 R HA -0.014 4.326 4.340 -0.000 0.000 0.224 65 R C 1.824 178.163 176.300 0.065 0.000 1.101 65 R CA 0.353 56.500 56.100 0.078 0.000 0.995 65 R CB -0.331 29.996 30.300 0.045 0.000 0.870 65 R HN 0.344 nan 8.270 nan 0.000 0.463 66 L N -0.890 120.366 121.223 0.054 0.000 2.640 66 L HA 0.218 4.558 4.340 -0.000 0.000 0.230 66 L C 1.013 177.903 176.870 0.033 0.000 1.123 66 L CA 0.355 55.220 54.840 0.041 0.000 0.900 66 L CB 0.392 42.472 42.059 0.036 0.000 1.146 66 L HN 0.314 nan 8.230 nan 0.000 0.484 67 G N 0.209 109.039 108.800 0.050 0.000 2.176 67 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.253 67 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.253 67 G C 0.438 175.363 174.900 0.042 0.000 0.979 67 G CA 0.098 45.226 45.100 0.046 0.000 0.641 67 G HN 0.478 nan 8.290 nan 0.000 0.530 68 A N -0.056 122.775 122.820 0.019 0.000 2.332 68 A HA 0.795 5.115 4.320 -0.000 0.000 0.258 68 A C 0.832 178.409 177.584 -0.011 0.000 1.087 68 A CA 0.897 52.935 52.037 0.002 0.000 0.802 68 A CB 0.635 19.623 19.000 -0.020 0.000 1.042 68 A HN 0.953 nan 8.150 nan 0.000 0.489 69 S N -1.102 114.608 115.700 0.016 0.000 2.672 69 S HA 0.619 5.089 4.470 -0.000 0.000 0.276 69 S C -0.444 174.137 174.600 -0.032 0.000 1.207 69 S CA -0.466 57.756 58.200 0.037 0.000 1.002 69 S CB 1.319 64.559 63.200 0.067 0.000 0.998 69 S HN 0.646 nan 8.310 nan 0.000 0.542 70 V N 1.902 121.812 119.914 -0.007 0.000 2.760 70 V HA 0.698 4.818 4.120 -0.000 0.000 0.309 70 V C -0.626 175.483 176.094 0.026 0.000 1.077 70 V CA -0.749 61.535 62.300 -0.028 0.000 0.910 70 V CB 1.696 33.471 31.823 -0.081 0.000 1.008 70 V HN 0.771 nan 8.190 nan 0.000 0.424 71 V N 0.754 120.678 119.914 0.017 0.000 3.007 71 V HA 1.159 5.279 4.120 -0.000 0.000 0.311 71 V C -0.008 176.092 176.094 0.010 0.000 1.120 71 V CA 0.138 62.459 62.300 0.035 0.000 0.980 71 V CB 1.496 33.351 31.823 0.053 0.000 1.033 71 V HN 1.505 nan 8.190 nan 0.000 0.429 72 G N 1.459 110.272 108.800 0.022 0.000 2.323 72 G HA2 0.704 4.663 3.960 -0.000 0.000 0.291 72 G HA3 0.704 4.663 3.960 -0.000 0.000 0.291 72 G C -1.542 173.368 174.900 0.018 0.000 1.278 72 G CA 0.030 45.077 45.100 -0.089 0.000 0.860 72 G HN 2.136 nan 8.290 nan 0.000 0.504 73 F N -1.701 118.237 119.950 -0.019 0.000 2.773 73 F HA 0.871 5.398 4.527 -0.000 0.000 0.314 73 F C -0.494 175.301 175.800 -0.008 0.000 1.160 73 F CA -1.054 56.923 58.000 -0.038 0.000 0.920 73 F CB 1.389 40.336 39.000 -0.088 0.000 1.323 73 F HN 0.722 nan 8.300 nan 0.000 0.457 74 S N 0.334 116.185 115.700 0.251 0.000 2.569 74 S HA 0.570 5.040 4.470 -0.000 0.000 0.280 74 S C -1.462 173.266 174.600 0.213 0.000 1.111 74 S CA -0.584 57.734 58.200 0.196 0.000 0.887 74 S CB 1.778 65.014 63.200 0.061 0.000 1.095 74 S HN 1.148 nan 8.310 nan 0.000 0.476 75 D N 0.548 121.061 120.400 0.188 0.000 11.055 75 D HA -0.196 4.444 4.640 -0.000 0.000 0.361 75 D C -0.377 175.991 176.300 0.112 0.000 3.064 75 D CA 0.715 54.793 54.000 0.129 0.000 2.586 75 D CB -0.387 40.459 40.800 0.075 0.000 1.099 75 D HN 0.436 nan 8.370 nan 0.000 0.924 76 S N 0.841 116.579 115.700 0.063 0.000 2.711 76 S HA 0.577 5.046 4.470 -0.000 0.000 0.247 76 S C 0.897 175.489 174.600 -0.012 0.000 1.079 76 S CA 0.179 58.381 58.200 0.003 0.000 1.050 76 S CB 0.668 63.891 63.200 0.038 0.000 0.885 76 S HN 0.606 nan 8.310 nan 0.000 0.498 77 A N 1.966 124.785 122.820 -0.001 0.000 2.044 77 A HA 0.156 4.476 4.320 -0.000 0.000 0.213 77 A C 0.737 178.311 177.584 -0.016 0.000 1.169 77 A CA 0.207 52.240 52.037 -0.006 0.000 0.724 77 A CB 0.088 19.090 19.000 0.004 0.000 0.840 77 A HN 0.492 nan 8.150 nan 0.000 0.463 78 N N 1.173 119.863 118.700 -0.017 0.000 2.990 78 N HA 0.275 5.015 4.740 -0.000 0.000 0.288 78 N C -1.243 174.221 175.510 -0.078 0.000 1.624 78 N CA 0.185 53.220 53.050 -0.026 0.000 0.961 78 N CB 0.817 39.306 38.487 0.004 0.000 1.259 78 N HN 0.019 nan 8.380 nan 0.000 0.489 79 T N -0.629 113.850 114.554 -0.126 0.000 3.225 79 T HA 0.167 4.517 4.350 -0.000 0.000 0.356 79 T C 0.162 174.758 174.700 -0.173 0.000 1.460 79 T CA -0.689 61.261 62.100 -0.250 0.000 1.126 79 T CB 1.258 69.843 68.868 -0.472 0.000 1.321 79 T HN 0.226 nan 8.240 nan 0.000 0.478 80 S N 1.389 116.989 115.700 -0.167 0.000 2.650 80 S HA 0.339 4.809 4.470 -0.000 0.000 0.240 80 S C 0.276 174.821 174.600 -0.093 0.000 1.007 80 S CA -0.400 57.740 58.200 -0.100 0.000 0.984 80 S CB -0.088 63.072 63.200 -0.066 0.000 0.910 80 S HN 0.558 nan 8.310 nan 0.000 0.509 81 L N 2.828 123.966 121.223 -0.142 0.000 2.417 81 L HA 0.596 4.936 4.340 -0.000 0.000 0.258 81 L C 0.725 177.579 176.870 -0.027 0.000 1.088 81 L CA 0.075 54.864 54.840 -0.086 0.000 0.975 81 L CB 0.465 42.454 42.059 -0.117 0.000 1.341 81 L HN 0.531 nan 8.230 nan 0.000 0.431 82 G N 1.587 110.377 108.800 -0.018 0.000 2.392 82 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.215 82 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.215 82 G C 0.328 175.225 174.900 -0.006 0.000 1.097 82 G CA 0.079 45.180 45.100 0.003 0.000 0.840 82 G HN 0.533 nan 8.290 nan 0.000 0.492 83 K N -0.424 119.962 120.400 -0.025 0.000 2.240 83 K HA 0.343 4.663 4.320 -0.000 0.000 0.202 83 K C 1.419 178.007 176.600 -0.021 0.000 1.053 83 K CA 0.841 57.113 56.287 -0.026 0.000 0.973 83 K CB 0.139 32.616 32.500 -0.038 0.000 0.924 83 K HN 0.097 nan 8.250 nan 0.000 0.477 84 K N -0.365 120.022 120.400 -0.022 0.000 3.135 84 K HA 0.397 4.717 4.320 -0.000 0.000 0.210 84 K C -0.281 176.305 176.600 -0.022 0.000 1.176 84 K CA 0.330 56.605 56.287 -0.020 0.000 1.064 84 K CB 0.928 33.416 32.500 -0.019 0.000 1.009 84 K HN 0.346 nan 8.250 nan 0.000 0.472 85 G N -0.070 108.715 108.800 -0.024 0.000 2.184 85 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.206 85 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.206 85 G C -0.143 174.734 174.900 -0.038 0.000 0.995 85 G CA -0.282 44.800 45.100 -0.030 0.000 0.651 85 G HN 0.381 nan 8.290 nan 0.000 0.511 86 E N 2.082 122.259 120.200 -0.037 0.000 2.360 86 E HA 0.461 4.811 4.350 -0.000 0.000 0.269 86 E C 1.220 177.781 176.600 -0.065 0.000 1.022 86 E CA 0.280 56.651 56.400 -0.048 0.000 0.887 86 E CB 0.413 30.090 29.700 -0.039 0.000 0.990 86 E HN 0.398 nan 8.360 nan 0.000 0.426 87 T N 1.848 116.342 114.554 -0.100 0.000 2.860 87 T HA 0.009 4.359 4.350 -0.000 0.000 0.299 87 T C 1.151 175.752 174.700 -0.166 0.000 1.045 87 T CA -0.747 61.268 62.100 -0.142 0.000 1.071 87 T CB 0.897 69.646 68.868 -0.198 0.000 0.985 87 T HN 0.540 nan 8.240 nan 0.000 0.537 88 L N 1.864 122.967 121.223 -0.200 0.000 2.131 88 L HA 0.105 4.444 4.340 -0.000 0.000 0.210 88 L C 2.686 179.381 176.870 -0.291 0.000 1.092 88 L CA 2.186 56.886 54.840 -0.234 0.000 0.759 88 L CB -1.521 40.342 42.059 -0.327 0.000 0.903 88 L HN 0.935 nan 8.230 nan 0.000 0.435 89 A N -0.576 121.962 122.820 -0.470 0.000 1.892 89 A HA -0.259 4.061 4.320 -0.000 0.000 0.218 89 A C 2.015 179.264 177.584 -0.558 0.000 1.188 89 A CA 2.142 53.637 52.037 -0.903 0.000 0.631 89 A CB -0.901 17.178 19.000 -1.534 0.000 0.822 89 A HN 0.528 nan 8.150 nan 0.000 0.447 90 D N -0.925 119.265 120.400 -0.349 0.000 2.149 90 D HA -0.055 4.585 4.640 -0.000 0.000 0.201 90 D C 2.060 178.296 176.300 -0.107 0.000 0.972 90 D CA 1.670 55.561 54.000 -0.182 0.000 0.835 90 D CB -0.658 40.063 40.800 -0.131 0.000 0.966 90 D HN 0.409 nan 8.370 nan 0.000 0.476 91 T N 1.173 115.679 114.554 -0.081 0.000 2.720 91 T HA -0.101 4.249 4.350 -0.000 0.000 0.268 91 T C 1.890 176.600 174.700 0.016 0.000 1.037 91 T CA 0.566 62.670 62.100 0.008 0.000 1.144 91 T CB 0.058 69.000 68.868 0.124 0.000 0.864 91 T HN 0.103 nan 8.240 nan 0.000 0.444 92 I N 1.355 121.922 120.570 -0.005 0.000 2.333 92 I HA -0.032 4.138 4.170 -0.000 0.000 0.246 92 I C 2.576 178.695 176.117 0.004 0.000 1.106 92 I CA 0.950 62.266 61.300 0.026 0.000 1.411 92 I CB -1.356 36.671 38.000 0.045 0.000 1.082 92 I HN 0.176 nan 8.210 nan 0.000 0.420 93 S N 0.893 116.596 115.700 0.006 0.000 2.383 93 S HA -0.120 4.350 4.470 -0.000 0.000 0.229 93 S C 2.230 176.790 174.600 -0.067 0.000 1.030 93 S CA 1.115 59.329 58.200 0.022 0.000 1.002 93 S CB -0.319 62.907 63.200 0.044 0.000 0.829 93 S HN 0.241 nan 8.310 nan 0.000 0.467 94 V N 1.902 121.740 119.914 -0.126 0.000 2.255 94 V HA -0.096 4.024 4.120 -0.000 0.000 0.243 94 V C 2.079 177.830 176.094 -0.572 0.000 1.038 94 V CA 1.466 63.603 62.300 -0.272 0.000 1.008 94 V CB -0.603 31.090 31.823 -0.217 0.000 0.645 94 V HN 0.427 nan 8.190 nan 0.000 0.449 95 I N 1.382 121.689 120.570 -0.437 0.000 2.264 95 I HA -0.231 3.939 4.170 -0.000 0.000 0.248 95 I C 2.474 178.436 176.117 -0.257 0.000 1.111 95 I CA 1.864 62.896 61.300 -0.447 0.000 1.382 95 I CB -0.473 37.484 38.000 -0.072 0.000 1.060 95 I HN 0.473 nan 8.210 nan 0.000 0.418 96 S N -0.462 115.159 115.700 -0.132 0.000 2.595 96 S HA -0.103 4.366 4.470 -0.000 0.000 0.235 96 S C 1.763 176.346 174.600 -0.029 0.000 0.974 96 S CA 1.045 59.221 58.200 -0.039 0.000 0.942 96 S CB -0.921 62.282 63.200 0.005 0.000 0.766 96 S HN 0.604 nan 8.310 nan 0.000 0.536 97 T N -2.624 111.871 114.554 -0.098 0.000 3.081 97 T HA 0.221 4.571 4.350 -0.000 0.000 0.250 97 T C 1.080 175.886 174.700 0.177 0.000 1.100 97 T CA -0.123 61.987 62.100 0.017 0.000 1.038 97 T CB -0.376 68.500 68.868 0.014 0.000 0.962 97 T HN 0.399 nan 8.240 nan 0.000 0.516 98 Y N 1.799 122.122 120.300 0.038 0.000 2.464 98 Y HA 0.457 5.007 4.550 -0.000 0.000 0.288 98 Y C 1.398 177.316 175.900 0.030 0.000 1.133 98 Y CA -1.058 57.063 58.100 0.034 0.000 1.223 98 Y CB -0.353 38.130 38.460 0.039 0.000 1.187 98 Y HN 0.296 nan 8.280 nan 0.000 0.539 99 V N -2.513 117.525 119.914 0.206 0.000 3.166 99 V HA 0.507 4.627 4.120 -0.000 0.000 0.317 99 V C 0.338 176.478 176.094 0.076 0.000 1.136 99 V CA -0.750 61.624 62.300 0.123 0.000 1.035 99 V CB 2.118 34.007 31.823 0.110 0.000 1.110 99 V HN -0.040 nan 8.190 nan 0.000 0.450 100 D N 0.849 121.282 120.400 0.055 0.000 2.346 100 D HA 0.497 5.137 4.640 -0.000 0.000 0.206 100 D C 0.556 176.867 176.300 0.018 0.000 1.001 100 D CA 1.479 55.502 54.000 0.038 0.000 0.871 100 D CB 1.237 42.063 40.800 0.043 0.000 0.943 100 D HN 1.009 nan 8.370 nan 0.000 0.518 101 A N 0.199 123.028 122.820 0.015 0.000 2.605 101 A HA 0.598 4.918 4.320 -0.000 0.000 0.294 101 A C -1.604 175.972 177.584 -0.012 0.000 1.062 101 A CA -0.612 51.425 52.037 0.001 0.000 0.682 101 A CB 1.017 20.014 19.000 -0.005 0.000 1.278 101 A HN 0.003 nan 8.150 nan 0.000 0.410 102 I N 1.467 122.025 120.570 -0.021 0.000 2.389 102 I HA 0.467 4.637 4.170 -0.000 0.000 0.288 102 I C -0.806 175.237 176.117 -0.123 0.000 0.999 102 I CA -0.932 60.337 61.300 -0.052 0.000 1.129 102 I CB 1.949 39.945 38.000 -0.005 0.000 1.288 102 I HN 0.353 nan 8.210 nan 0.000 0.444 103 V N 7.729 127.504 119.914 -0.232 0.000 2.398 103 V HA 0.552 4.672 4.120 -0.000 0.000 0.286 103 V C -0.058 175.780 176.094 -0.427 0.000 1.026 103 V CA -0.434 61.616 62.300 -0.417 0.000 0.868 103 V CB 1.572 32.965 31.823 -0.715 0.000 0.982 103 V HN 0.737 nan 8.190 nan 0.000 0.443 104 M N 4.486 123.855 119.600 -0.385 0.000 2.433 104 M HA 0.760 5.240 4.480 -0.000 0.000 0.290 104 M C -1.029 175.050 176.300 -0.367 0.000 1.173 104 M CA -0.816 54.277 55.300 -0.345 0.000 0.905 104 M CB 2.530 35.136 32.600 0.010 0.000 1.692 104 M HN 0.484 nan 8.290 nan 0.000 0.462 105 R N 1.403 121.633 120.500 -0.450 0.000 2.670 105 R HA 0.652 4.992 4.340 -0.000 0.000 0.289 105 R C -1.772 174.579 176.300 0.085 0.000 0.965 105 R CA -0.363 55.586 56.100 -0.251 0.000 0.899 105 R CB 1.510 31.576 30.300 -0.389 0.000 1.173 105 R HN 0.917 nan 8.270 nan 0.000 0.456 106 H N 3.988 123.055 119.070 -0.006 0.000 3.046 106 H HA 0.256 4.812 4.556 -0.000 0.000 0.361 106 H C -2.351 172.979 175.328 0.003 0.000 1.235 106 H CA -1.813 54.252 56.048 0.028 0.000 1.146 106 H CB 2.912 32.610 29.762 -0.107 0.000 1.859 106 H HN 0.461 nan 8.280 nan 0.000 0.548 107 P HA -0.004 nan 4.420 nan 0.000 0.231 107 P C -0.284 177.094 177.300 0.130 0.000 1.168 107 P CA 0.615 63.740 63.100 0.042 0.000 0.779 107 P CB 1.139 32.815 31.700 -0.041 0.000 0.844 108 Q N 0.469 120.454 119.800 0.308 0.000 2.256 108 Q HA 0.266 4.606 4.340 -0.000 0.000 0.257 108 Q C -0.458 175.567 176.000 0.042 0.000 0.936 108 Q CA -0.673 55.211 55.803 0.135 0.000 0.903 108 Q CB 1.120 29.917 28.738 0.100 0.000 1.263 108 Q HN -0.010 nan 8.270 nan 0.000 0.440 109 E N 0.378 120.584 120.200 0.010 0.000 2.376 109 E HA 0.257 4.607 4.350 -0.000 0.000 0.266 109 E C 0.776 177.343 176.600 -0.056 0.000 1.009 109 E CA 1.259 57.651 56.400 -0.013 0.000 0.902 109 E CB 0.474 30.172 29.700 -0.004 0.000 0.972 109 E HN 0.837 nan 8.360 nan 0.000 0.439 110 G N 1.960 110.719 108.800 -0.069 0.000 2.194 110 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.236 110 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.236 110 G C 1.151 175.958 174.900 -0.154 0.000 0.987 110 G CA 0.517 45.561 45.100 -0.093 0.000 0.635 110 G HN 0.666 nan 8.290 nan 0.000 0.520 111 A N 0.634 123.312 122.820 -0.237 0.000 1.883 111 A HA 0.343 4.663 4.320 -0.000 0.000 0.217 111 A C 2.849 180.265 177.584 -0.279 0.000 1.186 111 A CA 3.034 54.818 52.037 -0.422 0.000 0.624 111 A CB -0.940 17.543 19.000 -0.862 0.000 0.822 111 A HN 1.814 nan 8.150 nan 0.000 0.444 112 A N -0.360 122.356 122.820 -0.174 0.000 1.902 112 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 112 A C 2.183 179.690 177.584 -0.127 0.000 1.181 112 A CA 2.043 54.007 52.037 -0.121 0.000 0.623 112 A CB -0.432 18.528 19.000 -0.066 0.000 0.818 112 A HN 0.524 nan 8.150 nan 0.000 0.443 113 R N -0.099 120.332 120.500 -0.114 0.000 2.073 113 R HA -0.045 4.294 4.340 -0.000 0.000 0.234 113 R C 2.030 178.259 176.300 -0.118 0.000 1.134 113 R CA 1.728 57.758 56.100 -0.117 0.000 0.952 113 R CB -0.742 29.508 30.300 -0.083 0.000 0.850 113 R HN 0.502 nan 8.270 nan 0.000 0.433 114 L N -0.063 121.103 121.223 -0.094 0.000 2.042 114 L HA -0.130 4.210 4.340 -0.000 0.000 0.210 114 L C 2.236 179.136 176.870 0.050 0.000 1.076 114 L CA 1.861 56.691 54.840 -0.017 0.000 0.749 114 L CB -0.572 41.456 42.059 -0.052 0.000 0.893 114 L HN 0.383 nan 8.230 nan 0.000 0.432 115 A N -0.236 122.556 122.820 -0.046 0.000 1.917 115 A HA -0.299 4.021 4.320 -0.000 0.000 0.219 115 A C 2.370 179.924 177.584 -0.051 0.000 1.182 115 A CA 2.579 54.607 52.037 -0.014 0.000 0.633 115 A CB -1.438 17.522 19.000 -0.066 0.000 0.819 115 A HN 0.670 nan 8.150 nan 0.000 0.448 116 T N -1.979 112.435 114.554 -0.234 0.000 2.849 116 T HA -0.168 4.182 4.350 -0.000 0.000 0.270 116 T C 1.388 175.911 174.700 -0.294 0.000 1.066 116 T CA 1.739 63.534 62.100 -0.508 0.000 1.130 116 T CB -0.444 67.854 68.868 -0.950 0.000 0.864 116 T HN 0.641 nan 8.240 nan 0.000 0.481 117 E N -0.311 119.750 120.200 -0.232 0.000 2.482 117 E HA 0.158 4.507 4.350 -0.000 0.000 0.196 117 E C 0.488 176.662 176.600 -0.709 0.000 1.047 117 E CA 0.475 56.626 56.400 -0.415 0.000 0.869 117 E CB -0.027 29.399 29.700 -0.457 0.000 0.836 117 E HN 0.678 nan 8.360 nan 0.000 0.520 118 F N -1.384 118.515 119.950 -0.084 0.000 2.798 118 F HA 0.098 4.624 4.527 -0.000 0.000 0.328 118 F C 1.702 177.476 175.800 -0.044 0.000 1.098 118 F CA -0.153 57.812 58.000 -0.059 0.000 1.172 118 F CB 0.865 39.825 39.000 -0.066 0.000 1.072 118 F HN -0.070 nan 8.300 nan 0.000 0.555 119 S N -1.003 114.736 115.700 0.065 0.000 2.556 119 S HA 0.461 4.931 4.470 -0.000 0.000 0.216 119 S C 1.588 176.220 174.600 0.054 0.000 0.970 119 S CA 0.339 58.579 58.200 0.066 0.000 0.912 119 S CB -0.427 62.815 63.200 0.070 0.000 0.790 119 S HN 0.516 nan 8.310 nan 0.000 0.504 120 G N 3.915 112.732 108.800 0.028 0.000 2.629 120 G HA2 -0.475 3.485 3.960 -0.000 0.000 0.313 120 G HA3 -0.475 3.485 3.960 -0.000 0.000 0.313 120 G C 0.678 175.599 174.900 0.034 0.000 1.217 120 G CA 0.473 45.584 45.100 0.019 0.000 0.994 120 G HN 0.710 nan 8.290 nan 0.000 0.549 121 N N 0.730 119.439 118.700 0.014 0.000 2.515 121 N HA 0.071 4.811 4.740 -0.000 0.000 0.185 121 N C 0.836 176.331 175.510 -0.026 0.000 1.109 121 N CA 1.177 54.219 53.050 -0.013 0.000 0.903 121 N CB 0.097 38.579 38.487 -0.009 0.000 0.969 121 N HN 0.575 nan 8.380 nan 0.000 0.450 122 V N 3.050 122.976 119.914 0.020 0.000 2.408 122 V HA 0.246 4.366 4.120 -0.000 0.000 0.267 122 V C -2.137 173.993 176.094 0.060 0.000 1.047 122 V CA -1.492 60.821 62.300 0.021 0.000 0.937 122 V CB 0.974 32.819 31.823 0.037 0.000 0.999 122 V HN 0.037 nan 8.190 nan 0.000 0.472 123 P HA 0.170 nan 4.420 nan 0.000 0.271 123 P C -0.616 176.759 177.300 0.126 0.000 1.216 123 P CA -0.016 63.081 63.100 -0.005 0.000 0.776 123 P CB 0.693 32.317 31.700 -0.127 0.000 0.881 124 V N 4.791 124.894 119.914 0.315 0.000 2.398 124 V HA 0.297 4.417 4.120 -0.000 0.000 0.286 124 V C -0.019 176.135 176.094 0.100 0.000 1.026 124 V CA -0.411 61.974 62.300 0.142 0.000 0.868 124 V CB 1.155 33.008 31.823 0.052 0.000 0.982 124 V HN 0.298 nan 8.190 nan 0.000 0.443 125 L N 4.414 125.647 121.223 0.016 0.000 2.319 125 L HA 0.468 4.808 4.340 -0.000 0.000 0.281 125 L C 0.116 176.976 176.870 -0.017 0.000 1.005 125 L CA -0.259 54.600 54.840 0.033 0.000 0.828 125 L CB 1.400 43.487 42.059 0.047 0.000 1.227 125 L HN 0.544 nan 8.230 nan 0.000 0.415 126 N N 2.297 121.026 118.700 0.048 0.000 2.431 126 N HA 0.251 4.990 4.740 -0.000 0.000 0.265 126 N C 0.455 176.026 175.510 0.101 0.000 1.184 126 N CA 0.239 53.310 53.050 0.035 0.000 0.943 126 N CB 1.494 40.016 38.487 0.059 0.000 1.080 126 N HN 0.708 nan 8.380 nan 0.000 0.477 127 A N 2.441 125.256 122.820 -0.009 0.000 2.423 127 A HA 0.518 4.837 4.320 -0.000 0.000 0.246 127 A C 0.635 178.150 177.584 -0.115 0.000 1.278 127 A CA 0.278 52.362 52.037 0.080 0.000 0.903 127 A CB -0.638 18.285 19.000 -0.128 0.000 0.997 127 A HN 0.881 nan 8.150 nan 0.000 0.510 128 G N 0.938 109.675 108.800 -0.105 0.000 2.873 128 G HA2 0.317 4.277 3.960 -0.000 0.000 0.507 128 G HA3 0.317 4.277 3.960 -0.000 0.000 0.507 128 G C -1.478 173.389 174.900 -0.055 0.000 1.440 128 G CA -0.242 44.748 45.100 -0.184 0.000 1.016 128 G HN 0.485 nan 8.290 nan 0.000 0.615 129 D N 2.025 122.423 120.400 -0.004 0.000 2.408 129 D HA 0.560 5.200 4.640 -0.000 0.000 0.261 129 D C 1.162 177.485 176.300 0.038 0.000 1.190 129 D CA 0.493 54.507 54.000 0.023 0.000 0.910 129 D CB 0.675 41.471 40.800 -0.006 0.000 1.097 129 D HN 1.841 nan 8.370 nan 0.000 0.522 130 G N 2.919 111.749 108.800 0.050 0.000 2.596 130 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.295 130 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.295 130 G C 0.762 175.697 174.900 0.058 0.000 1.240 130 G CA 0.811 45.942 45.100 0.052 0.000 0.985 130 G HN 1.147 nan 8.290 nan 0.000 0.555 131 S N 0.808 116.549 115.700 0.068 0.000 2.660 131 S HA 0.240 4.710 4.470 -0.000 0.000 0.227 131 S C 1.209 175.874 174.600 0.109 0.000 0.948 131 S CA 0.993 59.252 58.200 0.100 0.000 0.948 131 S CB 0.269 63.545 63.200 0.126 0.000 0.779 131 S HN 0.862 nan 8.310 nan 0.000 0.487 132 N N 1.574 120.323 118.700 0.081 0.000 2.297 132 N HA 0.098 4.838 4.740 -0.000 0.000 0.204 132 N C 0.266 175.839 175.510 0.104 0.000 1.036 132 N CA 0.876 53.971 53.050 0.076 0.000 0.991 132 N CB 0.081 38.590 38.487 0.036 0.000 1.198 132 N HN 0.287 nan 8.380 nan 0.000 0.515 133 Q N -0.995 118.863 119.800 0.096 0.000 2.378 133 Q HA 0.255 4.594 4.340 -0.000 0.000 0.276 133 Q C -1.090 175.028 176.000 0.197 0.000 1.083 133 Q CA -0.449 55.433 55.803 0.132 0.000 0.856 133 Q CB 1.764 30.564 28.738 0.105 0.000 1.383 133 Q HN 0.576 nan 8.270 nan 0.000 0.458 134 H N 1.010 120.136 119.070 0.094 0.000 3.061 134 H HA 0.174 4.730 4.556 -0.000 0.000 0.210 134 H C -2.161 173.239 175.328 0.120 0.000 1.326 134 H CA -1.631 54.486 56.048 0.115 0.000 1.380 134 H CB 0.501 30.334 29.762 0.119 0.000 2.147 134 H HN 0.277 nan 8.280 nan 0.000 0.562 135 P HA -0.169 nan 4.420 nan 0.000 0.218 135 P C 1.399 178.768 177.300 0.115 0.000 1.146 135 P CA 1.884 65.078 63.100 0.157 0.000 0.813 135 P CB 0.090 31.878 31.700 0.147 0.000 0.778 136 T N -3.692 110.949 114.554 0.146 0.000 2.985 136 T HA -0.093 4.257 4.350 -0.000 0.000 0.266 136 T C 2.080 176.740 174.700 -0.067 0.000 1.076 136 T CA 0.804 62.936 62.100 0.052 0.000 1.135 136 T CB -0.618 68.285 68.868 0.059 0.000 0.890 136 T HN 0.008 nan 8.240 nan 0.000 0.480 137 Q N 1.793 121.434 119.800 -0.265 0.000 2.050 137 Q HA -0.063 4.277 4.340 -0.000 0.000 0.202 137 Q C 2.290 178.247 176.000 -0.071 0.000 0.980 137 Q CA 2.397 58.015 55.803 -0.308 0.000 0.840 137 Q CB -1.155 27.138 28.738 -0.742 0.000 0.898 137 Q HN 0.556 nan 8.270 nan 0.000 0.424 138 T N 1.128 115.659 114.554 -0.039 0.000 2.720 138 T HA -0.127 4.222 4.350 -0.000 0.000 0.268 138 T C 1.745 176.490 174.700 0.075 0.000 1.037 138 T CA 1.458 63.579 62.100 0.036 0.000 1.144 138 T CB -0.333 68.567 68.868 0.053 0.000 0.864 138 T HN 0.227 nan 8.240 nan 0.000 0.444 139 L N 1.318 122.584 121.223 0.072 0.000 2.083 139 L HA -0.037 4.303 4.340 -0.000 0.000 0.209 139 L C 2.563 179.514 176.870 0.134 0.000 1.083 139 L CA 1.019 55.917 54.840 0.097 0.000 0.752 139 L CB -0.634 41.466 42.059 0.068 0.000 0.899 139 L HN 0.339 nan 8.230 nan 0.000 0.433 140 L N -1.719 119.569 121.223 0.108 0.000 2.156 140 L HA -0.131 4.209 4.340 -0.000 0.000 0.208 140 L C 1.786 178.793 176.870 0.228 0.000 1.095 140 L CA 1.620 56.568 54.840 0.180 0.000 0.770 140 L CB -0.663 41.461 42.059 0.109 0.000 0.914 140 L HN 0.207 nan 8.230 nan 0.000 0.439 141 D N 1.147 121.657 120.400 0.184 0.000 2.097 141 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 141 D C 2.494 178.897 176.300 0.173 0.000 0.984 141 D CA 1.502 55.630 54.000 0.214 0.000 0.826 141 D CB -0.238 40.687 40.800 0.209 0.000 0.973 141 D HN 0.375 nan 8.370 nan 0.000 0.460 142 L N -0.136 121.174 121.223 0.144 0.000 2.046 142 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 142 L C 2.355 179.309 176.870 0.139 0.000 1.077 142 L CA 0.695 55.597 54.840 0.102 0.000 0.747 142 L CB -0.368 41.753 42.059 0.103 0.000 0.896 142 L HN -0.015 nan 8.230 nan 0.000 0.432 143 F N 0.898 120.883 119.950 0.060 0.000 2.134 143 F HA -0.218 4.309 4.527 -0.000 0.000 0.299 143 F C 2.453 178.303 175.800 0.085 0.000 1.097 143 F CA 1.942 59.984 58.000 0.070 0.000 1.264 143 F CB -0.637 38.423 39.000 0.101 0.000 1.001 143 F HN -0.051 nan 8.300 nan 0.000 0.479 144 T N 1.332 115.893 114.554 0.012 0.000 2.777 144 T HA -0.123 4.226 4.350 -0.000 0.000 0.266 144 T C 2.045 176.702 174.700 -0.073 0.000 1.040 144 T CA 1.468 63.549 62.100 -0.032 0.000 1.141 144 T CB -0.229 68.742 68.868 0.172 0.000 0.868 144 T HN 0.077 nan 8.240 nan 0.000 0.444 145 I N 1.657 122.214 120.570 -0.022 0.000 2.142 145 I HA -0.150 4.020 4.170 -0.000 0.000 0.240 145 I C 2.600 178.641 176.117 -0.127 0.000 1.078 145 I CA 1.270 62.533 61.300 -0.060 0.000 1.343 145 I CB -1.477 36.497 38.000 -0.043 0.000 1.046 145 I HN 0.356 nan 8.210 nan 0.000 0.405 146 Q N 0.698 120.422 119.800 -0.126 0.000 2.124 146 Q HA -0.244 4.096 4.340 -0.000 0.000 0.202 146 Q C 2.195 178.092 176.000 -0.172 0.000 0.977 146 Q CA 1.822 57.546 55.803 -0.131 0.000 0.850 146 Q CB -0.049 28.654 28.738 -0.058 0.000 0.901 146 Q HN 0.590 nan 8.270 nan 0.000 0.429 147 E N -0.506 119.523 120.200 -0.286 0.000 2.107 147 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 147 E C 1.805 178.256 176.600 -0.247 0.000 0.982 147 E CA 1.638 57.846 56.400 -0.321 0.000 0.809 147 E CB 0.130 29.491 29.700 -0.566 0.000 0.756 147 E HN 0.600 nan 8.360 nan 0.000 0.459 148 T N -1.686 112.700 114.554 -0.280 0.000 3.014 148 T HA 0.003 4.353 4.350 -0.000 0.000 0.263 148 T C 1.656 176.196 174.700 -0.266 0.000 1.078 148 T CA 0.324 62.207 62.100 -0.362 0.000 1.135 148 T CB 0.201 68.732 68.868 -0.562 0.000 0.895 148 T HN 0.003 nan 8.240 nan 0.000 0.480 149 Q N 0.556 120.236 119.800 -0.200 0.000 2.378 149 Q HA 0.320 4.660 4.340 -0.000 0.000 0.216 149 Q C 1.914 177.843 176.000 -0.119 0.000 0.892 149 Q CA 0.796 56.508 55.803 -0.151 0.000 0.931 149 Q CB 0.284 28.944 28.738 -0.129 0.000 1.086 149 Q HN 0.731 nan 8.270 nan 0.000 0.528 150 G N 2.467 111.196 108.800 -0.118 0.000 2.162 150 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.260 150 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.260 150 G C 0.218 175.077 174.900 -0.068 0.000 0.976 150 G CA 0.753 45.803 45.100 -0.084 0.000 0.655 150 G HN 0.429 nan 8.290 nan 0.000 0.533 151 R N -2.114 118.332 120.500 -0.089 0.000 2.741 151 R HA 0.691 5.031 4.340 -0.000 0.000 0.274 151 R C -0.333 175.870 176.300 -0.162 0.000 1.029 151 R CA -0.986 55.060 56.100 -0.090 0.000 0.880 151 R CB 0.224 30.491 30.300 -0.054 0.000 1.264 151 R HN 0.214 nan 8.270 nan 0.000 0.465 152 L N -0.218 120.859 121.223 -0.243 0.000 3.016 152 L HA 0.376 4.716 4.340 -0.000 0.000 0.267 152 L C -0.689 176.016 176.870 -0.275 0.000 1.182 152 L CA -0.156 54.407 54.840 -0.462 0.000 0.997 152 L CB 0.641 41.994 42.059 -1.177 0.000 1.354 152 L HN 0.539 nan 8.230 nan 0.000 0.569 153 D N 0.124 120.479 120.400 -0.076 0.000 2.269 153 D HA 0.242 4.882 4.640 -0.000 0.000 0.244 153 D C -0.131 176.176 176.300 0.012 0.000 0.992 153 D CA -0.482 53.547 54.000 0.047 0.000 0.894 153 D CB 1.445 42.304 40.800 0.099 0.000 1.248 153 D HN -0.080 nan 8.370 nan 0.000 0.468 154 N N -0.071 118.645 118.700 0.026 0.000 2.705 154 N HA -0.199 4.541 4.740 -0.000 0.000 0.255 154 N C -0.983 174.544 175.510 0.029 0.000 1.008 154 N CA 0.364 53.427 53.050 0.022 0.000 0.742 154 N CB -0.989 37.518 38.487 0.034 0.000 0.906 154 N HN 0.308 nan 8.380 nan 0.000 0.541 155 L N -0.265 120.947 121.223 -0.018 0.000 2.334 155 L HA 0.499 4.838 4.340 -0.000 0.000 0.270 155 L C 0.231 177.106 176.870 0.008 0.000 1.018 155 L CA -0.898 53.945 54.840 0.005 0.000 0.811 155 L CB 1.116 43.129 42.059 -0.076 0.000 1.271 155 L HN 0.176 nan 8.230 nan 0.000 0.443 156 H N 0.734 119.759 119.070 -0.076 0.000 2.623 156 H HA 0.426 4.982 4.556 -0.000 0.000 0.299 156 H C -0.957 174.367 175.328 -0.008 0.000 1.052 156 H CA -0.348 55.717 56.048 0.029 0.000 1.231 156 H CB 1.097 30.865 29.762 0.010 0.000 1.389 156 H HN 0.092 nan 8.280 nan 0.000 0.469 157 V N 2.743 122.645 119.914 -0.020 0.000 2.357 157 V HA 0.630 4.750 4.120 -0.000 0.000 0.284 157 V C 0.290 176.500 176.094 0.193 0.000 1.018 157 V CA -0.915 61.385 62.300 0.001 0.000 0.841 157 V CB 1.252 32.966 31.823 -0.182 0.000 0.991 157 V HN 0.866 nan 8.190 nan 0.000 0.437 158 A N 6.479 129.444 122.820 0.242 0.000 2.305 158 A HA 0.923 5.243 4.320 -0.000 0.000 0.322 158 A C -0.432 177.353 177.584 0.336 0.000 1.187 158 A CA -0.568 51.653 52.037 0.307 0.000 0.825 158 A CB 0.901 20.018 19.000 0.195 0.000 1.164 158 A HN 0.821 nan 8.150 nan 0.000 0.498 159 M N 2.506 122.360 119.600 0.424 0.000 2.253 159 M HA 0.498 4.978 4.480 -0.000 0.000 0.314 159 M C -1.292 175.223 176.300 0.358 0.000 1.019 159 M CA -0.510 55.040 55.300 0.417 0.000 0.932 159 M CB 2.154 35.031 32.600 0.461 0.000 1.606 159 M HN 0.381 nan 8.290 nan 0.000 0.430 160 V N 2.022 122.100 119.914 0.275 0.000 2.709 160 V HA 0.985 5.105 4.120 -0.000 0.000 0.308 160 V C 0.318 176.511 176.094 0.165 0.000 1.062 160 V CA -0.148 62.300 62.300 0.246 0.000 0.901 160 V CB 1.273 33.244 31.823 0.245 0.000 1.003 160 V HN 1.135 nan 8.190 nan 0.000 0.425 161 G N 3.744 112.612 108.800 0.113 0.000 2.456 161 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.204 161 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.204 161 G C -0.791 174.056 174.900 -0.088 0.000 1.193 161 G CA 0.052 45.165 45.100 0.021 0.000 1.220 161 G HN 0.804 nan 8.290 nan 0.000 0.565 162 D N 1.938 122.323 120.400 -0.026 0.000 2.494 162 D HA 0.459 5.098 4.640 -0.000 0.000 0.217 162 D C 1.775 178.047 176.300 -0.047 0.000 1.153 162 D CA -0.290 53.696 54.000 -0.025 0.000 0.954 162 D CB -0.178 40.661 40.800 0.065 0.000 1.034 162 D HN 0.383 nan 8.370 nan 0.000 0.518 163 L N 2.457 123.619 121.223 -0.101 0.000 2.492 163 L HA 0.037 4.377 4.340 -0.000 0.000 0.223 163 L C 2.289 179.100 176.870 -0.098 0.000 1.132 163 L CA 0.280 55.041 54.840 -0.132 0.000 0.850 163 L CB -0.053 41.882 42.059 -0.207 0.000 0.966 163 L HN 0.288 nan 8.230 nan 0.000 0.454 164 K N 0.373 120.677 120.400 -0.161 0.000 2.044 164 K HA -0.139 4.181 4.320 -0.000 0.000 0.204 164 K C 1.549 177.977 176.600 -0.286 0.000 1.049 164 K CA 1.465 57.572 56.287 -0.300 0.000 0.945 164 K CB 0.042 32.207 32.500 -0.558 0.000 0.724 164 K HN 0.160 nan 8.250 nan 0.000 0.440 165 Y N -0.182 120.147 120.300 0.048 0.000 2.458 165 Y HA 0.284 4.833 4.550 -0.000 0.000 0.256 165 Y C 0.862 176.709 175.900 -0.088 0.000 1.159 165 Y CA -0.182 57.940 58.100 0.038 0.000 1.261 165 Y CB 0.600 39.078 38.460 0.030 0.000 1.119 165 Y HN 0.019 nan 8.280 nan 0.000 0.524 166 G N 1.835 110.561 108.800 -0.123 0.000 2.428 166 G HA2 0.096 4.055 3.960 -0.000 0.000 0.293 166 G HA3 0.096 4.055 3.960 -0.000 0.000 0.293 166 G C 1.187 175.801 174.900 -0.475 0.000 1.059 166 G CA -0.469 44.513 45.100 -0.197 0.000 1.194 166 G HN 0.461 nan 8.290 nan 0.000 0.435 167 R N 1.407 121.788 120.500 -0.199 0.000 2.152 167 R HA -0.087 4.253 4.340 -0.000 0.000 0.232 167 R C 1.555 177.818 176.300 -0.062 0.000 1.117 167 R CA 1.701 57.733 56.100 -0.113 0.000 0.981 167 R CB -0.483 29.865 30.300 0.080 0.000 0.870 167 R HN 0.362 nan 8.270 nan 0.000 0.451 168 T N 1.342 115.882 114.554 -0.023 0.000 2.777 168 T HA -0.075 4.274 4.350 -0.000 0.000 0.266 168 T C 1.894 176.551 174.700 -0.073 0.000 1.040 168 T CA 1.785 63.902 62.100 0.029 0.000 1.141 168 T CB -0.112 68.835 68.868 0.133 0.000 0.868 168 T HN 0.351 nan 8.240 nan 0.000 0.444 169 V N -0.365 119.463 119.914 -0.143 0.000 2.667 169 V HA -0.096 4.024 4.120 -0.000 0.000 0.252 169 V C 1.995 178.015 176.094 -0.123 0.000 1.065 169 V CA 1.423 63.611 62.300 -0.187 0.000 1.083 169 V CB -1.266 30.481 31.823 -0.127 0.000 0.692 169 V HN 0.600 nan 8.190 nan 0.000 0.468 170 H N 0.840 119.844 119.070 -0.110 0.000 2.321 170 H HA -0.119 4.437 4.556 -0.000 0.000 0.300 170 H C 2.738 178.018 175.328 -0.081 0.000 1.087 170 H CA 1.588 57.555 56.048 -0.135 0.000 1.319 170 H CB -0.015 29.721 29.762 -0.044 0.000 1.379 170 H HN 0.525 nan 8.280 nan 0.000 0.501 171 S N 0.612 116.367 115.700 0.093 0.000 2.368 171 S HA -0.131 4.339 4.470 -0.000 0.000 0.225 171 S C 2.105 176.725 174.600 0.033 0.000 1.030 171 S CA 0.933 59.175 58.200 0.071 0.000 0.999 171 S CB -0.247 63.000 63.200 0.079 0.000 0.844 171 S HN 0.269 nan 8.310 nan 0.000 0.459 172 L N 1.572 122.779 121.223 -0.026 0.000 2.141 172 L HA 0.041 4.381 4.340 -0.000 0.000 0.209 172 L C 2.331 179.222 176.870 0.035 0.000 1.094 172 L CA 2.162 56.981 54.840 -0.035 0.000 0.763 172 L CB -1.271 40.658 42.059 -0.217 0.000 0.908 172 L HN 0.283 nan 8.230 nan 0.000 0.437 173 T N -0.751 113.791 114.554 -0.021 0.000 2.777 173 T HA -0.150 4.199 4.350 -0.000 0.000 0.266 173 T C 1.820 176.486 174.700 -0.057 0.000 1.040 173 T CA 1.359 63.394 62.100 -0.109 0.000 1.141 173 T CB -0.153 68.526 68.868 -0.315 0.000 0.868 173 T HN 0.391 nan 8.240 nan 0.000 0.444 174 Q N 0.835 120.620 119.800 -0.025 0.000 2.084 174 Q HA -0.017 4.323 4.340 -0.000 0.000 0.202 174 Q C 2.736 178.787 176.000 0.084 0.000 0.978 174 Q CA 1.563 57.377 55.803 0.017 0.000 0.844 174 Q CB -0.584 28.178 28.738 0.039 0.000 0.898 174 Q HN 0.579 nan 8.270 nan 0.000 0.426 175 A N 0.986 123.877 122.820 0.118 0.000 1.873 175 A HA -0.109 4.211 4.320 -0.000 0.000 0.215 175 A C 2.236 180.010 177.584 0.317 0.000 1.186 175 A CA 0.957 53.108 52.037 0.190 0.000 0.616 175 A CB -0.735 18.369 19.000 0.174 0.000 0.823 175 A HN 0.292 nan 8.150 nan 0.000 0.442 176 L N -0.686 120.723 121.223 0.310 0.000 2.191 176 L HA -0.162 4.178 4.340 -0.000 0.000 0.212 176 L C 2.785 179.926 176.870 0.451 0.000 1.103 176 L CA 0.814 55.898 54.840 0.407 0.000 0.769 176 L CB -0.362 41.957 42.059 0.433 0.000 0.908 176 L HN 0.444 nan 8.230 nan 0.000 0.438 177 A N -0.524 122.490 122.820 0.323 0.000 2.239 177 A HA -0.107 4.213 4.320 -0.000 0.000 0.209 177 A C 2.047 179.719 177.584 0.145 0.000 1.171 177 A CA 0.846 53.020 52.037 0.227 0.000 0.768 177 A CB -0.252 18.808 19.000 0.102 0.000 0.790 177 A HN 0.317 nan 8.150 nan 0.000 0.478 178 K N -1.397 119.082 120.400 0.132 0.000 2.393 178 K HA 0.214 4.533 4.320 -0.000 0.000 0.193 178 K C -0.699 175.730 176.600 -0.284 0.000 1.026 178 K CA 0.048 56.282 56.287 -0.088 0.000 1.064 178 K CB 0.156 32.547 32.500 -0.181 0.000 0.833 178 K HN 0.470 nan 8.250 nan 0.000 0.521 179 F N 0.816 120.810 119.950 0.074 0.000 2.518 179 F HA 0.247 4.774 4.527 -0.000 0.000 0.338 179 F C 0.551 176.387 175.800 0.059 0.000 1.065 179 F CA -1.097 56.940 58.000 0.061 0.000 1.012 179 F CB 0.847 39.882 39.000 0.058 0.000 1.297 179 F HN -0.174 nan 8.300 nan 0.000 0.489 180 D N -0.449 120.086 120.400 0.225 0.000 2.217 180 D HA 0.386 5.026 4.640 -0.000 0.000 0.248 180 D C 0.826 177.189 176.300 0.105 0.000 1.008 180 D CA 0.235 54.314 54.000 0.131 0.000 0.914 180 D CB 1.615 42.468 40.800 0.088 0.000 1.182 180 D HN 0.767 nan 8.370 nan 0.000 0.451 181 G N 1.427 110.269 108.800 0.070 0.000 2.175 181 G HA2 -0.268 3.691 3.960 -0.000 0.000 0.265 181 G HA3 -0.268 3.691 3.960 -0.000 0.000 0.265 181 G C 0.286 175.180 174.900 -0.009 0.000 0.979 181 G CA -0.097 45.022 45.100 0.033 0.000 0.663 181 G HN 0.484 nan 8.290 nan 0.000 0.533 182 N N 0.422 119.121 118.700 -0.002 0.000 2.530 182 N HA 0.461 5.201 4.740 -0.000 0.000 0.273 182 N C 0.513 175.884 175.510 -0.231 0.000 1.173 182 N CA 0.233 53.196 53.050 -0.145 0.000 0.967 182 N CB 0.542 38.942 38.487 -0.145 0.000 1.109 182 N HN 0.443 nan 8.380 nan 0.000 0.453 183 R N 1.237 121.463 120.500 -0.457 0.000 2.561 183 R HA 0.447 4.787 4.340 -0.000 0.000 0.297 183 R C -0.878 174.958 176.300 -0.774 0.000 0.969 183 R CA -0.599 55.207 56.100 -0.490 0.000 0.879 183 R CB 1.249 31.220 30.300 -0.548 0.000 1.178 183 R HN 0.375 nan 8.270 nan 0.000 0.445 184 F N 1.794 121.426 119.950 -0.530 0.000 2.450 184 F HA 0.431 4.957 4.527 -0.000 0.000 0.332 184 F C -0.379 174.748 175.800 -1.122 0.000 1.093 184 F CA -0.667 56.940 58.000 -0.655 0.000 1.003 184 F CB 1.204 39.832 39.000 -0.620 0.000 1.151 184 F HN 0.332 nan 8.300 nan 0.000 0.474 185 Y N 2.418 122.580 120.300 -0.230 0.000 2.326 185 Y HA 0.516 5.065 4.550 -0.000 0.000 0.331 185 Y C -1.111 174.787 175.900 -0.003 0.000 0.962 185 Y CA -1.085 56.970 58.100 -0.074 0.000 1.167 185 Y CB 0.949 39.408 38.460 -0.002 0.000 1.148 185 Y HN 0.285 nan 8.280 nan 0.000 0.463 186 F N 4.298 124.484 119.950 0.393 0.000 2.411 186 F HA 0.566 5.093 4.527 -0.000 0.000 0.352 186 F C -0.179 175.789 175.800 0.280 0.000 1.123 186 F CA -1.740 56.419 58.000 0.266 0.000 1.044 186 F CB 0.977 40.062 39.000 0.142 0.000 1.135 186 F HN 0.280 nan 8.300 nan 0.000 0.461 187 I N 3.662 124.502 120.570 0.450 0.000 2.420 187 I HA 0.730 4.899 4.170 -0.000 0.000 0.282 187 I C -0.415 175.891 176.117 0.315 0.000 1.019 187 I CA -0.429 61.124 61.300 0.422 0.000 1.130 187 I CB 1.072 39.325 38.000 0.422 0.000 1.262 187 I HN 0.707 nan 8.210 nan 0.000 0.454 188 A N 7.031 129.926 122.820 0.125 0.000 2.608 188 A HA 0.834 5.153 4.320 -0.000 0.000 0.292 188 A C -3.005 174.290 177.584 -0.482 0.000 1.066 188 A CA -1.248 50.530 52.037 -0.431 0.000 0.676 188 A CB 1.492 20.355 19.000 -0.228 0.000 1.277 188 A HN 0.320 nan 8.150 nan 0.000 0.413 189 P HA 0.178 nan 4.420 nan 0.000 0.269 189 P C -0.015 177.192 177.300 -0.155 0.000 1.209 189 P CA 0.002 62.890 63.100 -0.353 0.000 0.776 189 P CB 0.555 32.046 31.700 -0.348 0.000 0.876 190 D N 2.057 122.432 120.400 -0.042 0.000 2.190 190 D HA -0.194 4.446 4.640 -0.000 0.000 0.200 190 D C 1.669 177.942 176.300 -0.045 0.000 0.992 190 D CA 1.785 55.770 54.000 -0.025 0.000 0.854 190 D CB -0.325 40.483 40.800 0.012 0.000 0.936 190 D HN 0.417 nan 8.370 nan 0.000 0.462 191 A N 0.165 122.961 122.820 -0.039 0.000 2.119 191 A HA -0.006 4.314 4.320 -0.000 0.000 0.217 191 A C 1.851 179.406 177.584 -0.048 0.000 1.153 191 A CA 0.566 52.589 52.037 -0.023 0.000 0.692 191 A CB -0.157 18.851 19.000 0.014 0.000 0.799 191 A HN 0.217 nan 8.150 nan 0.000 0.458 192 L N -0.296 120.867 121.223 -0.101 0.000 3.218 192 L HA 0.361 4.701 4.340 -0.000 0.000 0.279 192 L C 0.661 177.423 176.870 -0.181 0.000 1.287 192 L CA -0.554 54.209 54.840 -0.128 0.000 1.024 192 L CB 0.286 42.285 42.059 -0.100 0.000 1.409 192 L HN 0.283 nan 8.230 nan 0.000 0.580 193 A N 0.711 123.427 122.820 -0.173 0.000 2.483 193 A HA 0.223 4.543 4.320 -0.000 0.000 0.238 193 A C 0.297 177.720 177.584 -0.268 0.000 1.070 193 A CA -0.302 51.626 52.037 -0.183 0.000 0.770 193 A CB 0.185 19.103 19.000 -0.137 0.000 1.008 193 A HN 0.351 nan 8.150 nan 0.000 0.497 194 M N 3.515 122.896 119.600 -0.364 0.000 2.290 194 M HA 0.209 4.689 4.480 -0.000 0.000 0.356 194 M C -2.153 173.827 176.300 -0.532 0.000 1.448 194 M CA -1.434 53.528 55.300 -0.563 0.000 0.993 194 M CB -0.295 31.657 32.600 -1.079 0.000 1.934 194 M HN 0.369 nan 8.290 nan 0.000 0.461 195 P HA 0.019 nan 4.420 nan 0.000 0.268 195 P C -0.326 176.651 177.300 -0.537 0.000 1.208 195 P CA -0.075 62.725 63.100 -0.500 0.000 0.777 195 P CB 0.464 31.866 31.700 -0.496 0.000 0.875 196 Q N 2.197 121.807 119.800 -0.316 0.000 2.234 196 Q HA -0.216 4.124 4.340 -0.000 0.000 0.206 196 Q C 1.763 177.617 176.000 -0.243 0.000 0.980 196 Q CA 1.895 57.544 55.803 -0.256 0.000 0.869 196 Q CB -1.088 27.579 28.738 -0.118 0.000 0.912 196 Q HN 0.653 nan 8.270 nan 0.000 0.436 197 Y N -2.060 118.093 120.300 -0.244 0.000 2.293 197 Y HA -0.043 4.507 4.550 -0.000 0.000 0.291 197 Y C 1.610 177.357 175.900 -0.255 0.000 1.137 197 Y CA 0.863 58.835 58.100 -0.214 0.000 1.202 197 Y CB -0.536 37.807 38.460 -0.196 0.000 0.990 197 Y HN 0.066 nan 8.280 nan 0.000 0.537 198 I N 0.681 120.656 120.570 -0.992 0.000 2.286 198 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 198 I C 2.390 178.161 176.117 -0.576 0.000 1.104 198 I CA 1.111 61.934 61.300 -0.795 0.000 1.397 198 I CB -0.406 37.014 38.000 -0.968 0.000 1.072 198 I HN 0.251 nan 8.210 nan 0.000 0.417 199 L N -0.032 120.797 121.223 -0.657 0.000 2.042 199 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 199 L C 2.116 178.817 176.870 -0.283 0.000 1.076 199 L CA 1.244 55.648 54.840 -0.727 0.000 0.749 199 L CB -0.897 40.655 42.059 -0.846 0.000 0.893 199 L HN 0.269 nan 8.230 nan 0.000 0.432 200 D N -0.179 120.114 120.400 -0.177 0.000 2.117 200 D HA -0.225 4.415 4.640 -0.000 0.000 0.197 200 D C 2.167 178.451 176.300 -0.027 0.000 0.987 200 D CA 1.187 55.163 54.000 -0.041 0.000 0.829 200 D CB -0.198 40.589 40.800 -0.022 0.000 0.961 200 D HN 0.209 nan 8.370 nan 0.000 0.460 201 M N 0.551 120.107 119.600 -0.073 0.000 2.149 201 M HA -0.140 4.339 4.480 -0.000 0.000 0.261 201 M C 1.989 178.274 176.300 -0.025 0.000 1.064 201 M CA 1.158 56.431 55.300 -0.045 0.000 1.102 201 M CB -0.400 32.159 32.600 -0.068 0.000 1.369 201 M HN 0.015 nan 8.290 nan 0.000 0.408 202 L N -0.220 120.969 121.223 -0.055 0.000 2.056 202 L HA -0.224 4.116 4.340 -0.000 0.000 0.207 202 L C 2.150 179.117 176.870 0.162 0.000 1.078 202 L CA 1.130 55.998 54.840 0.047 0.000 0.749 202 L CB -0.974 41.098 42.059 0.020 0.000 0.901 202 L HN 0.223 nan 8.230 nan 0.000 0.433 203 D N 0.409 120.928 120.400 0.198 0.000 2.092 203 D HA -0.202 4.438 4.640 -0.000 0.000 0.193 203 D C 2.058 178.420 176.300 0.104 0.000 0.994 203 D CA 1.278 55.396 54.000 0.197 0.000 0.828 203 D CB -0.129 40.792 40.800 0.203 0.000 0.963 203 D HN 0.345 nan 8.370 nan 0.000 0.450 204 E N 0.154 120.396 120.200 0.070 0.000 2.219 204 E HA -0.165 4.185 4.350 -0.000 0.000 0.198 204 E C 1.397 178.023 176.600 0.044 0.000 0.998 204 E CA 0.930 57.357 56.400 0.045 0.000 0.818 204 E CB 0.050 29.767 29.700 0.029 0.000 0.741 204 E HN 0.197 nan 8.360 nan 0.000 0.477 205 K N -0.928 119.506 120.400 0.056 0.000 2.372 205 K HA 0.145 4.465 4.320 -0.000 0.000 0.200 205 K C 0.538 177.176 176.600 0.062 0.000 1.022 205 K CA 0.365 56.684 56.287 0.053 0.000 1.125 205 K CB 1.183 33.717 32.500 0.057 0.000 0.855 205 K HN 0.159 nan 8.250 nan 0.000 0.524 206 G N 2.046 110.888 108.800 0.069 0.000 2.246 206 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.273 206 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.273 206 G C -0.115 174.828 174.900 0.072 0.000 1.055 206 G CA -0.170 44.965 45.100 0.058 0.000 0.851 206 G HN 0.150 nan 8.290 nan 0.000 0.500 207 I N 0.707 121.352 120.570 0.125 0.000 2.331 207 I HA 0.596 4.765 4.170 -0.000 0.000 0.292 207 I C 0.946 177.171 176.117 0.181 0.000 0.998 207 I CA -1.087 60.313 61.300 0.167 0.000 1.267 207 I CB 0.927 39.079 38.000 0.253 0.000 1.386 207 I HN 0.358 nan 8.210 nan 0.000 0.476 208 A N 8.860 131.718 122.820 0.065 0.000 2.409 208 A HA 0.539 4.859 4.320 -0.000 0.000 0.262 208 A C -0.456 177.116 177.584 -0.020 0.000 1.113 208 A CA -0.321 51.670 52.037 -0.076 0.000 0.790 208 A CB 0.323 19.236 19.000 -0.146 0.000 1.046 208 A HN 0.816 nan 8.150 nan 0.000 0.496 209 W N 0.901 122.111 121.300 -0.150 0.000 3.118 209 W HA 0.700 5.360 4.660 -0.000 0.000 0.328 209 W C -0.899 175.472 176.519 -0.247 0.000 1.239 209 W CA -0.426 56.748 57.345 -0.285 0.000 1.176 209 W CB 0.938 30.287 29.460 -0.185 0.000 1.433 209 W HN 1.157 nan 8.180 nan 0.000 0.562 210 S N 0.974 116.629 115.700 -0.076 0.000 2.547 210 S HA 0.687 5.157 4.470 -0.000 0.000 0.270 210 S C -1.280 173.372 174.600 0.086 0.000 1.150 210 S CA -1.035 57.120 58.200 -0.074 0.000 0.850 210 S CB 1.815 64.922 63.200 -0.154 0.000 1.118 210 S HN 0.532 nan 8.310 nan 0.000 0.461 211 L N 2.963 124.204 121.223 0.030 0.000 2.334 211 L HA 0.622 4.962 4.340 -0.000 0.000 0.277 211 L C -0.081 176.618 176.870 -0.285 0.000 1.075 211 L CA -0.546 54.347 54.840 0.089 0.000 0.804 211 L CB 0.615 42.776 42.059 0.171 0.000 1.174 211 L HN 0.709 nan 8.230 nan 0.000 0.438 212 H N 0.896 120.102 119.070 0.227 0.000 2.894 212 H HA 0.184 4.740 4.556 -0.000 0.000 0.367 212 H C -0.052 175.398 175.328 0.202 0.000 1.144 212 H CA -0.614 55.545 56.048 0.185 0.000 1.180 212 H CB 2.262 32.129 29.762 0.175 0.000 1.758 212 H HN 0.535 nan 8.280 nan 0.000 0.541 213 S N 1.262 117.119 115.700 0.262 0.000 2.406 213 S HA -0.042 4.428 4.470 -0.000 0.000 0.228 213 S C 0.955 175.641 174.600 0.143 0.000 1.020 213 S CA 0.937 59.264 58.200 0.212 0.000 0.965 213 S CB 0.169 63.449 63.200 0.133 0.000 0.798 213 S HN 0.707 nan 8.310 nan 0.000 0.488 214 S N -0.767 115.006 115.700 0.123 0.000 2.569 214 S HA 0.546 5.016 4.470 -0.000 0.000 0.280 214 S C 0.568 175.192 174.600 0.040 0.000 1.111 214 S CA -0.797 57.417 58.200 0.024 0.000 0.887 214 S CB 0.770 63.959 63.200 -0.019 0.000 1.095 214 S HN 0.099 nan 8.310 nan 0.000 0.476 215 I N 1.168 121.738 120.570 -0.000 0.000 2.361 215 I HA -0.142 4.028 4.170 -0.000 0.000 0.251 215 I C 2.685 178.766 176.117 -0.060 0.000 1.133 215 I CA 1.410 62.702 61.300 -0.014 0.000 1.413 215 I CB -0.285 37.707 38.000 -0.013 0.000 1.073 215 I HN 0.886 nan 8.210 nan 0.000 0.424 216 E N 1.165 121.340 120.200 -0.043 0.000 2.130 216 E HA -0.272 4.078 4.350 -0.000 0.000 0.196 216 E C 1.863 178.420 176.600 -0.073 0.000 0.998 216 E CA 1.405 57.778 56.400 -0.044 0.000 0.806 216 E CB 0.057 29.753 29.700 -0.005 0.000 0.738 216 E HN 0.521 nan 8.360 nan 0.000 0.459 217 E N -0.591 119.569 120.200 -0.065 0.000 2.338 217 E HA -0.134 4.216 4.350 -0.000 0.000 0.197 217 E C 1.621 178.070 176.600 -0.253 0.000 1.007 217 E CA 1.130 57.471 56.400 -0.098 0.000 0.849 217 E CB 0.394 30.093 29.700 -0.003 0.000 0.774 217 E HN 0.312 nan 8.360 nan 0.000 0.506 218 V N -3.270 116.461 119.914 -0.305 0.000 3.398 218 V HA 0.169 4.288 4.120 -0.000 0.000 0.298 218 V C 1.640 177.518 176.094 -0.362 0.000 1.496 218 V CA -0.158 61.868 62.300 -0.458 0.000 1.044 218 V CB 0.414 31.826 31.823 -0.686 0.000 0.880 218 V HN 0.033 nan 8.190 nan 0.000 0.443 219 M N 3.014 122.461 119.600 -0.256 0.000 2.106 219 M HA 0.014 4.494 4.480 -0.000 0.000 0.259 219 M C 2.135 178.278 176.300 -0.261 0.000 1.068 219 M CA 2.684 57.838 55.300 -0.244 0.000 1.100 219 M CB -0.706 31.757 32.600 -0.228 0.000 1.351 219 M HN 0.458 nan 8.290 nan 0.000 0.404 220 A N -0.616 122.058 122.820 -0.243 0.000 2.024 220 A HA -0.137 4.183 4.320 -0.000 0.000 0.220 220 A C 1.833 179.275 177.584 -0.237 0.000 1.164 220 A CA 1.908 53.812 52.037 -0.221 0.000 0.643 220 A CB -0.589 18.308 19.000 -0.172 0.000 0.806 220 A HN 0.645 nan 8.150 nan 0.000 0.451 221 E N -0.976 119.056 120.200 -0.280 0.000 2.511 221 E HA 0.155 4.505 4.350 -0.000 0.000 0.209 221 E C 0.264 176.655 176.600 -0.349 0.000 0.986 221 E CA -0.132 56.065 56.400 -0.339 0.000 0.974 221 E CB -0.102 29.406 29.700 -0.319 0.000 1.030 221 E HN 0.279 nan 8.360 nan 0.000 0.490 222 V N 2.570 122.312 119.914 -0.286 0.000 2.655 222 V HA -0.031 4.088 4.120 -0.000 0.000 0.300 222 V C 0.623 176.634 176.094 -0.138 0.000 1.044 222 V CA 0.507 62.694 62.300 -0.187 0.000 1.095 222 V CB 0.841 32.557 31.823 -0.179 0.000 0.952 222 V HN 0.013 nan 8.190 nan 0.000 0.485 223 D N 5.153 125.515 120.400 -0.063 0.000 2.259 223 D HA 0.191 4.831 4.640 -0.000 0.000 0.216 223 D C 0.125 176.398 176.300 -0.045 0.000 0.961 223 D CA 0.860 54.818 54.000 -0.069 0.000 0.878 223 D CB 0.538 41.309 40.800 -0.050 0.000 1.009 223 D HN 0.351 nan 8.370 nan 0.000 0.490 224 I N 1.843 122.414 120.570 0.001 0.000 2.447 224 I HA 0.193 4.363 4.170 -0.000 0.000 0.287 224 I C -0.822 175.351 176.117 0.093 0.000 1.023 224 I CA -0.891 60.438 61.300 0.049 0.000 1.083 224 I CB 2.226 40.272 38.000 0.078 0.000 1.245 224 I HN -0.148 nan 8.210 nan 0.000 0.434 225 L N 8.621 129.903 121.223 0.098 0.000 2.283 225 L HA 0.392 4.732 4.340 -0.000 0.000 0.281 225 L C -1.390 175.583 176.870 0.171 0.000 1.033 225 L CA -0.369 54.541 54.840 0.118 0.000 0.848 225 L CB 0.641 42.734 42.059 0.057 0.000 1.226 225 L HN 0.418 nan 8.230 nan 0.000 0.429 226 Y N 6.162 126.521 120.300 0.099 0.000 2.454 226 Y HA 0.495 5.045 4.550 -0.000 0.000 0.345 226 Y C -0.217 175.709 175.900 0.043 0.000 0.970 226 Y CA -0.656 57.494 58.100 0.083 0.000 1.204 226 Y CB 0.653 39.173 38.460 0.100 0.000 1.122 226 Y HN 0.498 nan 8.280 nan 0.000 0.514 227 M N 4.918 124.412 119.600 -0.176 0.000 2.249 227 M HA 0.305 4.785 4.480 -0.000 0.000 0.351 227 M C 0.157 176.105 176.300 -0.586 0.000 1.180 227 M CA -0.200 54.988 55.300 -0.188 0.000 1.127 227 M CB 1.183 33.754 32.600 -0.049 0.000 1.546 227 M HN 0.670 nan 8.290 nan 0.000 0.461 228 T N -0.119 114.232 114.554 -0.338 0.000 2.916 228 T HA 0.623 4.973 4.350 -0.000 0.000 0.292 228 T C -0.259 174.375 174.700 -0.111 0.000 1.064 228 T CA -1.108 60.787 62.100 -0.342 0.000 1.011 228 T CB 2.486 71.329 68.868 -0.042 0.000 1.152 228 T HN 0.731 nan 8.240 nan 0.000 0.510 229 R N 0.768 121.291 120.500 0.037 0.000 2.539 229 R HA 0.533 4.873 4.340 -0.000 0.000 0.275 229 R C -0.954 175.431 176.300 0.142 0.000 1.077 229 R CA -0.545 55.667 56.100 0.188 0.000 1.097 229 R CB 0.611 31.032 30.300 0.202 0.000 1.018 229 R HN 0.569 nan 8.270 nan 0.000 0.483 230 V N 4.752 124.775 119.914 0.181 0.000 2.406 230 V HA 0.078 4.198 4.120 -0.000 0.000 0.272 230 V C 0.219 176.425 176.094 0.185 0.000 1.043 230 V CA -0.244 62.170 62.300 0.191 0.000 0.915 230 V CB 1.432 33.414 31.823 0.265 0.000 0.988 230 V HN 0.799 nan 8.190 nan 0.000 0.466 231 Q N 4.109 123.994 119.800 0.141 0.000 3.004 231 Q HA -0.004 4.336 4.340 -0.000 0.000 0.256 231 Q C 1.255 177.304 176.000 0.080 0.000 1.387 231 Q CA -0.243 55.610 55.803 0.083 0.000 0.962 231 Q CB -0.055 28.707 28.738 0.039 0.000 1.676 231 Q HN 0.795 nan 8.270 nan 0.000 0.568 232 K N -0.245 120.207 120.400 0.086 0.000 2.360 232 K HA -0.180 4.140 4.320 -0.000 0.000 0.201 232 K C 0.938 177.519 176.600 -0.032 0.000 1.046 232 K CA 1.178 57.482 56.287 0.027 0.000 0.940 232 K CB 0.214 32.505 32.500 -0.349 0.000 0.748 232 K HN 0.205 nan 8.250 nan 0.000 0.465 233 E N 1.257 121.435 120.200 -0.037 0.000 2.333 233 E HA -0.140 4.210 4.350 -0.000 0.000 0.198 233 E C 1.516 178.091 176.600 -0.042 0.000 1.007 233 E CA 0.990 57.363 56.400 -0.046 0.000 0.845 233 E CB -0.067 29.606 29.700 -0.045 0.000 0.766 233 E HN 0.549 nan 8.360 nan 0.000 0.507 234 R N -0.295 120.185 120.500 -0.034 0.000 2.254 234 R HA 0.261 4.601 4.340 -0.000 0.000 0.193 234 R C 1.104 177.411 176.300 0.011 0.000 0.929 234 R CA -0.058 56.016 56.100 -0.045 0.000 1.038 234 R CB 0.483 30.716 30.300 -0.112 0.000 1.009 234 R HN 0.020 nan 8.270 nan 0.000 0.512 235 L N 0.984 122.235 121.223 0.047 0.000 2.454 235 L HA 0.179 4.518 4.340 -0.000 0.000 0.256 235 L C -0.054 176.854 176.870 0.064 0.000 1.136 235 L CA -0.648 54.243 54.840 0.085 0.000 0.804 235 L CB 0.569 42.728 42.059 0.168 0.000 1.181 235 L HN -0.006 nan 8.230 nan 0.000 0.469 236 D N 0.336 120.785 120.400 0.081 0.000 2.256 236 D HA 0.176 4.816 4.640 -0.000 0.000 0.250 236 D C -1.831 174.523 176.300 0.090 0.000 1.093 236 D CA -1.637 52.402 54.000 0.065 0.000 0.882 236 D CB 1.678 42.516 40.800 0.063 0.000 1.185 236 D HN 0.104 nan 8.370 nan 0.000 0.437 237 P HA -0.136 nan 4.420 nan 0.000 0.216 237 P C 0.995 178.368 177.300 0.122 0.000 1.150 237 P CA 1.019 64.155 63.100 0.060 0.000 0.843 237 P CB 0.267 31.979 31.700 0.020 0.000 0.787 238 S N -1.181 114.578 115.700 0.097 0.000 2.387 238 S HA -0.138 4.331 4.470 -0.000 0.000 0.226 238 S C 1.908 176.576 174.600 0.114 0.000 1.026 238 S CA 0.824 59.082 58.200 0.096 0.000 0.972 238 S CB -0.598 62.642 63.200 0.066 0.000 0.814 238 S HN 0.288 nan 8.310 nan 0.000 0.477 239 E N -0.020 120.251 120.200 0.117 0.000 2.031 239 E HA -0.225 4.125 4.350 -0.000 0.000 0.193 239 E C 1.875 178.564 176.600 0.147 0.000 0.994 239 E CA 1.280 57.748 56.400 0.113 0.000 0.800 239 E CB -0.279 29.484 29.700 0.105 0.000 0.752 239 E HN 0.618 nan 8.360 nan 0.000 0.447 240 Y N 0.819 121.153 120.300 0.057 0.000 2.081 240 Y HA -0.287 4.262 4.550 -0.000 0.000 0.280 240 Y C 2.118 178.065 175.900 0.078 0.000 1.163 240 Y CA 2.155 60.296 58.100 0.069 0.000 1.135 240 Y CB -0.597 37.897 38.460 0.056 0.000 0.970 240 Y HN 0.139 nan 8.280 nan 0.000 0.498 241 A N 0.241 123.223 122.820 0.270 0.000 2.076 241 A HA -0.223 4.097 4.320 -0.000 0.000 0.220 241 A C 2.003 179.620 177.584 0.056 0.000 1.160 241 A CA 1.848 53.979 52.037 0.157 0.000 0.653 241 A CB -0.697 18.398 19.000 0.159 0.000 0.801 241 A HN 0.645 nan 8.150 nan 0.000 0.455 242 N N -0.413 118.320 118.700 0.055 0.000 2.409 242 N HA -0.070 4.670 4.740 -0.000 0.000 0.179 242 N C 1.534 177.069 175.510 0.041 0.000 1.032 242 N CA 1.779 54.856 53.050 0.045 0.000 0.898 242 N CB 0.348 38.869 38.487 0.056 0.000 0.971 242 N HN 0.558 nan 8.380 nan 0.000 0.441 243 V N -1.480 118.459 119.914 0.042 0.000 3.612 243 V HA 0.128 4.248 4.120 -0.000 0.000 0.268 243 V C 2.064 178.228 176.094 0.116 0.000 1.365 243 V CA 0.178 62.557 62.300 0.133 0.000 1.044 243 V CB -0.022 31.946 31.823 0.242 0.000 0.820 243 V HN 0.061 nan 8.190 nan 0.000 0.444 244 K N 3.023 123.372 120.400 -0.086 0.000 2.144 244 K HA -0.178 4.142 4.320 -0.000 0.000 0.209 244 K C 2.018 178.569 176.600 -0.082 0.000 1.047 244 K CA 2.414 58.610 56.287 -0.152 0.000 0.927 244 K CB -0.985 31.285 32.500 -0.382 0.000 0.716 244 K HN 0.518 nan 8.250 nan 0.000 0.454 245 A N 1.280 124.034 122.820 -0.110 0.000 2.084 245 A HA -0.205 4.115 4.320 -0.000 0.000 0.221 245 A C 1.713 179.113 177.584 -0.305 0.000 1.161 245 A CA 1.675 53.623 52.037 -0.147 0.000 0.653 245 A CB -0.448 18.490 19.000 -0.103 0.000 0.802 245 A HN 0.621 nan 8.150 nan 0.000 0.457 246 Q N -2.091 117.337 119.800 -0.620 0.000 2.320 246 Q HA 0.230 4.570 4.340 -0.000 0.000 0.201 246 Q C -0.545 174.413 176.000 -1.735 0.000 0.910 246 Q CA 0.072 55.162 55.803 -1.188 0.000 0.946 246 Q CB 0.230 28.155 28.738 -1.354 0.000 1.062 246 Q HN 0.726 nan 8.270 nan 0.000 0.503 247 F N -1.031 118.915 119.950 -0.008 0.000 2.837 247 F HA 0.266 4.793 4.527 -0.000 0.000 0.328 247 F C -0.282 175.525 175.800 0.012 0.000 1.173 247 F CA -0.588 57.417 58.000 0.008 0.000 1.160 247 F CB 0.797 39.796 39.000 -0.001 0.000 1.115 247 F HN -0.275 nan 8.300 nan 0.000 0.512 248 V N 2.259 122.173 119.914 0.000 0.000 2.513 248 V HA 0.533 4.653 4.120 -0.000 0.000 0.299 248 V C -0.802 175.292 176.094 0.001 0.000 1.035 248 V CA -0.840 61.469 62.300 0.016 0.000 0.889 248 V CB 2.487 34.309 31.823 -0.002 0.000 0.988 248 V HN 0.085 nan 8.190 nan 0.000 0.440 249 L N 5.737 126.972 121.223 0.020 0.000 2.341 249 L HA 0.697 5.037 4.340 -0.000 0.000 0.278 249 L C -0.251 176.636 176.870 0.028 0.000 1.005 249 L CA -0.015 54.838 54.840 0.022 0.000 0.818 249 L CB 1.335 43.416 42.059 0.037 0.000 1.259 249 L HN 0.518 nan 8.230 nan 0.000 0.418 250 R N 2.649 123.168 120.500 0.031 0.000 2.832 250 R HA 0.610 4.950 4.340 -0.000 0.000 0.271 250 R C 0.610 176.944 176.300 0.058 0.000 0.996 250 R CA 0.052 56.176 56.100 0.040 0.000 0.977 250 R CB 1.968 32.285 30.300 0.029 0.000 1.168 250 R HN 0.836 nan 8.270 nan 0.000 0.482 251 A N 0.897 123.759 122.820 0.069 0.000 1.978 251 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 251 A C 1.830 179.467 177.584 0.087 0.000 1.170 251 A CA 2.250 54.339 52.037 0.087 0.000 0.636 251 A CB -0.452 18.599 19.000 0.085 0.000 0.810 251 A HN 0.792 nan 8.150 nan 0.000 0.448 252 S N 0.270 116.013 115.700 0.073 0.000 2.419 252 S HA -0.161 4.309 4.470 -0.000 0.000 0.233 252 S C 1.158 175.842 174.600 0.140 0.000 1.016 252 S CA 1.252 59.504 58.200 0.085 0.000 0.974 252 S CB -0.463 62.764 63.200 0.044 0.000 0.786 252 S HN 0.548 nan 8.310 nan 0.000 0.492 253 D N 1.950 122.408 120.400 0.097 0.000 2.310 253 D HA 0.035 4.675 4.640 -0.000 0.000 0.212 253 D C 1.415 177.734 176.300 0.031 0.000 0.965 253 D CA 0.671 54.723 54.000 0.087 0.000 0.879 253 D CB -0.244 40.574 40.800 0.030 0.000 0.921 253 D HN 0.478 nan 8.370 nan 0.000 0.510 254 L N 0.582 121.823 121.223 0.031 0.000 2.612 254 L HA 0.069 4.408 4.340 -0.000 0.000 0.230 254 L C 1.921 178.742 176.870 -0.083 0.000 1.140 254 L CA -0.049 54.752 54.840 -0.064 0.000 0.896 254 L CB -0.643 41.423 42.059 0.013 0.000 1.065 254 L HN 0.108 nan 8.230 nan 0.000 0.447 255 H N 0.355 119.416 119.070 -0.015 0.000 2.390 255 H HA -0.174 4.381 4.556 -0.000 0.000 0.298 255 H C 1.565 176.880 175.328 -0.023 0.000 1.106 255 H CA 1.823 57.867 56.048 -0.006 0.000 1.297 255 H CB -0.383 29.374 29.762 -0.008 0.000 1.375 255 H HN 0.433 nan 8.280 nan 0.000 0.509 256 N N 1.011 119.253 118.700 -0.764 0.000 2.273 256 N HA 0.229 4.969 4.740 -0.000 0.000 0.231 256 N C -0.208 175.120 175.510 -0.303 0.000 1.134 256 N CA 0.270 53.059 53.050 -0.434 0.000 0.856 256 N CB 0.081 38.271 38.487 -0.495 0.000 1.068 256 N HN 0.563 nan 8.380 nan 0.000 0.510 257 A N 0.991 123.634 122.820 -0.295 0.000 2.407 257 A HA 0.253 4.573 4.320 -0.000 0.000 0.248 257 A C 0.358 177.819 177.584 -0.204 0.000 1.082 257 A CA -0.353 51.492 52.037 -0.320 0.000 0.785 257 A CB 0.487 19.134 19.000 -0.589 0.000 1.020 257 A HN 0.310 nan 8.150 nan 0.000 0.489 258 K N 1.058 121.344 120.400 -0.189 0.000 2.319 258 K HA 0.284 4.604 4.320 -0.000 0.000 0.265 258 K C 1.394 177.985 176.600 -0.015 0.000 1.000 258 K CA 0.399 56.619 56.287 -0.112 0.000 0.943 258 K CB 0.617 33.034 32.500 -0.138 0.000 0.950 258 K HN 0.749 nan 8.250 nan 0.000 0.485 259 A N 2.791 125.613 122.820 0.004 0.000 1.940 259 A HA -0.220 4.100 4.320 -0.000 0.000 0.219 259 A C 1.625 179.223 177.584 0.025 0.000 1.176 259 A CA 1.990 54.053 52.037 0.042 0.000 0.631 259 A CB -0.668 18.323 19.000 -0.016 0.000 0.814 259 A HN 0.962 nan 8.150 nan 0.000 0.446 260 N N -1.015 117.663 118.700 -0.037 0.000 2.494 260 N HA -0.040 4.700 4.740 -0.000 0.000 0.182 260 N C 0.845 176.307 175.510 -0.080 0.000 1.076 260 N CA 0.229 53.225 53.050 -0.090 0.000 0.908 260 N CB -0.271 38.149 38.487 -0.112 0.000 0.967 260 N HN 0.437 nan 8.380 nan 0.000 0.449 261 M N 1.852 121.441 119.600 -0.019 0.000 2.252 261 M HA 0.054 4.534 4.480 -0.000 0.000 0.348 261 M C -0.752 175.587 176.300 0.064 0.000 1.334 261 M CA 0.608 55.882 55.300 -0.043 0.000 1.071 261 M CB 0.500 32.988 32.600 -0.188 0.000 1.763 261 M HN -0.072 nan 8.290 nan 0.000 0.452 262 K N 4.230 124.622 120.400 -0.013 0.000 2.316 262 K HA 0.546 4.866 4.320 -0.000 0.000 0.251 262 K C -1.396 175.263 176.600 0.099 0.000 0.934 262 K CA -0.697 55.607 56.287 0.029 0.000 0.802 262 K CB 2.177 34.605 32.500 -0.121 0.000 1.171 262 K HN 0.536 nan 8.250 nan 0.000 0.426 263 V N 4.402 124.428 119.914 0.186 0.000 2.370 263 V HA 0.426 4.545 4.120 -0.000 0.000 0.279 263 V C 0.077 176.336 176.094 0.276 0.000 1.029 263 V CA -0.751 61.678 62.300 0.215 0.000 0.870 263 V CB 0.862 32.853 31.823 0.279 0.000 0.984 263 V HN 0.469 nan 8.190 nan 0.000 0.451 264 L N 4.542 125.864 121.223 0.165 0.000 2.333 264 L HA 0.735 5.074 4.340 -0.000 0.000 0.269 264 L C -0.629 176.143 176.870 -0.163 0.000 1.010 264 L CA -0.745 54.144 54.840 0.082 0.000 0.818 264 L CB 2.066 44.165 42.059 0.066 0.000 1.306 264 L HN 0.607 nan 8.230 nan 0.000 0.430 265 H N 2.875 121.781 119.070 -0.272 0.000 3.099 265 H HA 0.201 4.756 4.556 -0.000 0.000 0.342 265 H C -2.478 172.708 175.328 -0.237 0.000 1.054 265 H CA -1.210 54.609 56.048 -0.382 0.000 1.328 265 H CB 3.137 32.690 29.762 -0.349 0.000 1.876 265 H HN 0.260 nan 8.280 nan 0.000 0.495 266 P HA -0.026 nan 4.420 nan 0.000 0.225 266 P C -0.038 177.400 177.300 0.230 0.000 1.148 266 P CA 0.468 63.644 63.100 0.126 0.000 0.779 266 P CB 1.046 32.826 31.700 0.134 0.000 0.780 267 L N -2.498 118.983 121.223 0.429 0.000 0.584 267 L HA -0.085 4.255 4.340 -0.000 0.000 0.356 267 L C -2.321 174.641 176.870 0.154 0.000 0.992 267 L CA -0.865 54.062 54.840 0.144 0.000 1.223 267 L CB -1.816 40.291 42.059 0.080 0.000 0.009 267 L HN 0.067 nan 8.230 nan 0.000 0.091 268 P HA 0.329 nan 4.420 nan 0.000 0.278 268 P C -0.953 176.240 177.300 -0.179 0.000 1.238 268 P CA -0.565 62.519 63.100 -0.028 0.000 0.794 268 P CB 1.298 33.007 31.700 0.014 0.000 0.955 269 R N 1.404 121.635 120.500 -0.448 0.000 2.523 269 R HA 0.686 5.026 4.340 -0.000 0.000 0.229 269 R C 0.614 176.788 176.300 -0.209 0.000 1.265 269 R CA -0.409 55.331 56.100 -0.601 0.000 1.081 269 R CB -0.556 29.229 30.300 -0.860 0.000 1.540 269 R HN 0.289 nan 8.270 nan 0.000 0.560 270 V N -3.093 116.743 119.914 -0.129 0.000 5.865 270 V HA -0.044 4.076 4.120 -0.000 0.000 0.107 270 V C -0.448 175.647 176.094 0.003 0.000 1.135 270 V CA 0.740 63.016 62.300 -0.039 0.000 0.626 270 V CB -0.428 31.393 31.823 -0.003 0.000 0.760 270 V HN 0.670 nan 8.190 nan 0.000 0.704 271 D N 0.151 120.580 120.400 0.049 0.000 2.433 271 D HA 0.225 4.865 4.640 -0.000 0.000 0.211 271 D C 1.640 177.991 176.300 0.085 0.000 1.114 271 D CA 0.840 54.895 54.000 0.092 0.000 0.837 271 D CB 0.555 41.468 40.800 0.189 0.000 0.984 271 D HN 0.830 nan 8.370 nan 0.000 0.505 272 E N -0.156 120.080 120.200 0.060 0.000 2.340 272 E HA 0.074 4.424 4.350 -0.000 0.000 0.198 272 E C 0.524 177.134 176.600 0.016 0.000 0.961 272 E CA 0.260 56.705 56.400 0.075 0.000 0.905 272 E CB 0.998 30.795 29.700 0.161 0.000 0.884 272 E HN 0.209 nan 8.360 nan 0.000 0.491 273 I N 1.998 122.525 120.570 -0.073 0.000 2.410 273 I HA 0.389 4.559 4.170 -0.000 0.000 0.286 273 I C -0.230 175.846 176.117 -0.068 0.000 1.009 273 I CA -1.097 60.140 61.300 -0.105 0.000 1.111 273 I CB 1.826 39.643 38.000 -0.304 0.000 1.262 273 I HN -0.039 nan 8.210 nan 0.000 0.443 274 A N 3.767 126.584 122.820 -0.006 0.000 2.445 274 A HA 0.238 4.558 4.320 -0.000 0.000 0.242 274 A C 1.491 179.102 177.584 0.045 0.000 1.075 274 A CA 0.201 52.251 52.037 0.021 0.000 0.777 274 A CB 0.187 19.207 19.000 0.033 0.000 1.013 274 A HN 0.890 nan 8.150 nan 0.000 0.493 275 T N -0.681 113.907 114.554 0.056 0.000 2.929 275 T HA -0.177 4.173 4.350 -0.000 0.000 0.271 275 T C 0.946 175.708 174.700 0.103 0.000 1.085 275 T CA 1.500 63.655 62.100 0.093 0.000 1.125 275 T CB -0.506 68.413 68.868 0.085 0.000 0.874 275 T HN 0.793 nan 8.240 nan 0.000 0.494 276 D N 1.375 121.823 120.400 0.080 0.000 2.350 276 D HA -0.052 4.588 4.640 -0.000 0.000 0.216 276 D C 1.745 178.106 176.300 0.100 0.000 0.968 276 D CA 0.238 54.285 54.000 0.079 0.000 0.894 276 D CB -0.696 40.140 40.800 0.060 0.000 0.909 276 D HN 0.438 nan 8.370 nan 0.000 0.520 277 V N 0.997 120.987 119.914 0.126 0.000 2.719 277 V HA -0.147 3.973 4.120 -0.000 0.000 0.252 277 V C 1.591 177.797 176.094 0.187 0.000 1.065 277 V CA 1.417 63.815 62.300 0.164 0.000 1.086 277 V CB -0.370 31.574 31.823 0.201 0.000 0.700 277 V HN 0.062 nan 8.190 nan 0.000 0.467 278 D N 0.684 121.209 120.400 0.208 0.000 2.190 278 D HA -0.189 4.451 4.640 -0.000 0.000 0.200 278 D C 2.058 178.412 176.300 0.090 0.000 0.992 278 D CA 1.177 55.289 54.000 0.186 0.000 0.854 278 D CB -0.172 40.789 40.800 0.268 0.000 0.936 278 D HN 0.308 nan 8.370 nan 0.000 0.462 279 K N 0.216 120.666 120.400 0.083 0.000 2.365 279 K HA 0.035 4.355 4.320 -0.000 0.000 0.197 279 K C 0.773 177.393 176.600 0.034 0.000 1.042 279 K CA 0.161 56.477 56.287 0.049 0.000 0.987 279 K CB -0.222 32.305 32.500 0.045 0.000 0.779 279 K HN 0.305 nan 8.250 nan 0.000 0.484 280 T N -1.120 113.463 114.554 0.048 0.000 2.813 280 T HA 0.120 4.470 4.350 -0.000 0.000 0.297 280 T C -1.837 172.839 174.700 -0.039 0.000 1.036 280 T CA -1.449 60.662 62.100 0.018 0.000 1.044 280 T CB 0.882 69.802 68.868 0.087 0.000 0.993 280 T HN -0.127 nan 8.240 nan 0.000 0.535 281 P HA 0.010 nan 4.420 nan 0.000 0.233 281 P C 1.078 178.265 177.300 -0.188 0.000 1.167 281 P CA 0.739 63.741 63.100 -0.163 0.000 0.770 281 P CB -0.068 31.484 31.700 -0.247 0.000 0.837 282 H N -0.101 119.018 119.070 0.081 0.000 2.512 282 H HA 0.241 4.796 4.556 -0.000 0.000 0.279 282 H C 0.904 176.311 175.328 0.132 0.000 0.999 282 H CA 0.266 56.358 56.048 0.073 0.000 1.283 282 H CB -0.539 29.247 29.762 0.039 0.000 1.421 282 H HN 0.056 nan 8.280 nan 0.000 0.554 283 A N 1.208 124.113 122.820 0.143 0.000 2.537 283 A HA -0.059 4.261 4.320 -0.000 0.000 0.260 283 A C 0.287 177.767 177.584 -0.173 0.000 1.082 283 A CA 0.097 52.051 52.037 -0.139 0.000 0.765 283 A CB -0.529 18.287 19.000 -0.307 0.000 1.019 283 A HN 0.675 nan 8.150 nan 0.000 0.507 284 W N 3.948 124.957 121.300 -0.485 0.000 2.007 284 W HA 0.123 4.783 4.660 -0.000 0.000 0.301 284 W C -0.021 176.332 176.519 -0.277 0.000 0.887 284 W CA -0.085 57.075 57.345 -0.308 0.000 1.625 284 W CB 0.310 29.703 29.460 -0.111 0.000 1.078 284 W HN 1.067 nan 8.180 nan 0.000 0.502 285 Y N -1.899 118.312 120.300 -0.149 0.000 2.314 285 Y HA -0.047 4.503 4.550 -0.000 0.000 0.293 285 Y C 1.742 177.485 175.900 -0.260 0.000 1.129 285 Y CA 0.829 58.783 58.100 -0.243 0.000 1.201 285 Y CB -1.496 36.738 38.460 -0.377 0.000 0.999 285 Y HN -0.237 nan 8.280 nan 0.000 0.541 286 F N 0.696 120.555 119.950 -0.152 0.000 2.234 286 F HA -0.041 4.486 4.527 -0.000 0.000 0.296 286 F C 2.165 177.843 175.800 -0.204 0.000 1.089 286 F CA 0.628 58.555 58.000 -0.122 0.000 1.343 286 F CB -0.924 37.983 39.000 -0.156 0.000 1.040 286 F HN 0.029 nan 8.300 nan 0.000 0.498 287 Q N 0.044 119.673 119.800 -0.285 0.000 2.167 287 Q HA -0.194 4.146 4.340 -0.000 0.000 0.202 287 Q C 2.242 178.188 176.000 -0.089 0.000 0.970 287 Q CA 1.353 56.922 55.803 -0.390 0.000 0.855 287 Q CB -0.438 27.572 28.738 -1.215 0.000 0.911 287 Q HN 0.492 nan 8.270 nan 0.000 0.438 288 Q N -0.040 119.752 119.800 -0.013 0.000 2.020 288 Q HA -0.198 4.142 4.340 -0.000 0.000 0.202 288 Q C 1.934 178.016 176.000 0.138 0.000 0.982 288 Q CA 1.568 57.458 55.803 0.145 0.000 0.838 288 Q CB -0.206 28.634 28.738 0.170 0.000 0.899 288 Q HN 0.422 nan 8.270 nan 0.000 0.423 289 A N 0.488 123.380 122.820 0.120 0.000 1.902 289 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 289 A C 2.291 179.921 177.584 0.077 0.000 1.181 289 A CA 1.647 53.753 52.037 0.114 0.000 0.623 289 A CB -1.351 17.741 19.000 0.153 0.000 0.818 289 A HN 0.621 nan 8.150 nan 0.000 0.443 290 G N -0.434 108.411 108.800 0.075 0.000 2.462 290 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.220 290 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.220 290 G C 1.340 176.284 174.900 0.073 0.000 1.121 290 G CA 1.066 46.197 45.100 0.052 0.000 0.758 290 G HN 0.720 nan 8.290 nan 0.000 0.559 291 N N 0.252 119.073 118.700 0.201 0.000 2.459 291 N HA -0.005 4.735 4.740 -0.000 0.000 0.181 291 N C 2.303 177.927 175.510 0.189 0.000 1.046 291 N CA 0.292 53.574 53.050 0.387 0.000 0.904 291 N CB -0.032 38.752 38.487 0.495 0.000 0.964 291 N HN 0.330 nan 8.380 nan 0.000 0.444 292 G N 1.023 109.853 108.800 0.049 0.000 2.448 292 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.219 292 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.219 292 G C 1.430 176.218 174.900 -0.186 0.000 1.127 292 G CA 0.410 45.481 45.100 -0.048 0.000 0.766 292 G HN 0.218 nan 8.290 nan 0.000 0.552 293 I N -0.246 120.149 120.570 -0.293 0.000 2.252 293 I HA -0.063 4.106 4.170 -0.000 0.000 0.245 293 I C 2.249 178.054 176.117 -0.521 0.000 1.102 293 I CA 0.832 61.853 61.300 -0.465 0.000 1.385 293 I CB -0.129 37.473 38.000 -0.663 0.000 1.064 293 I HN 0.101 nan 8.210 nan 0.000 0.414 294 F N 0.433 120.361 119.950 -0.036 0.000 2.206 294 F HA -0.028 4.499 4.527 -0.000 0.000 0.298 294 F C 2.513 178.172 175.800 -0.234 0.000 1.090 294 F CA 0.894 58.822 58.000 -0.119 0.000 1.323 294 F CB -1.198 37.738 39.000 -0.107 0.000 1.028 294 F HN -0.036 nan 8.300 nan 0.000 0.492 295 A N 0.330 123.080 122.820 -0.118 0.000 1.898 295 A HA -0.145 4.174 4.320 -0.000 0.000 0.216 295 A C 2.310 179.808 177.584 -0.144 0.000 1.181 295 A CA 1.398 53.342 52.037 -0.154 0.000 0.620 295 A CB -0.609 18.355 19.000 -0.060 0.000 0.819 295 A HN 0.285 nan 8.150 nan 0.000 0.442 296 R N -0.706 119.663 120.500 -0.219 0.000 2.090 296 R HA -0.073 4.266 4.340 -0.000 0.000 0.228 296 R C 2.467 178.692 176.300 -0.126 0.000 1.110 296 R CA 1.420 57.332 56.100 -0.312 0.000 0.973 296 R CB -0.246 29.654 30.300 -0.667 0.000 0.869 296 R HN 0.667 nan 8.270 nan 0.000 0.440 297 Q N -0.119 119.622 119.800 -0.098 0.000 2.084 297 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 297 Q C 2.192 178.196 176.000 0.007 0.000 0.978 297 Q CA 1.553 57.345 55.803 -0.018 0.000 0.844 297 Q CB -0.117 28.624 28.738 0.006 0.000 0.898 297 Q HN 0.352 nan 8.270 nan 0.000 0.426 298 A N 0.769 123.578 122.820 -0.019 0.000 1.902 298 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 298 A C 2.025 179.619 177.584 0.016 0.000 1.181 298 A CA 1.092 53.122 52.037 -0.012 0.000 0.623 298 A CB -0.588 18.375 19.000 -0.062 0.000 0.818 298 A HN 0.304 nan 8.150 nan 0.000 0.443 299 L N -0.221 121.014 121.223 0.019 0.000 1.994 299 L HA -0.123 4.217 4.340 -0.000 0.000 0.208 299 L C 2.427 179.346 176.870 0.083 0.000 1.071 299 L CA 1.764 56.639 54.840 0.059 0.000 0.745 299 L CB -0.621 41.488 42.059 0.082 0.000 0.892 299 L HN 0.424 nan 8.230 nan 0.000 0.431 300 L N -0.967 120.317 121.223 0.102 0.000 2.042 300 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 300 L C 2.625 179.540 176.870 0.075 0.000 1.076 300 L CA 1.302 56.203 54.840 0.102 0.000 0.749 300 L CB -0.957 41.173 42.059 0.118 0.000 0.893 300 L HN 0.351 nan 8.230 nan 0.000 0.432 301 A N -0.022 122.837 122.820 0.065 0.000 1.933 301 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 301 A C 2.266 179.897 177.584 0.079 0.000 1.175 301 A CA 1.423 53.499 52.037 0.064 0.000 0.628 301 A CB -0.643 18.386 19.000 0.049 0.000 0.814 301 A HN 0.356 nan 8.150 nan 0.000 0.444 302 L N -0.831 120.436 121.223 0.074 0.000 2.056 302 L HA -0.119 4.220 4.340 -0.000 0.000 0.207 302 L C 2.468 179.410 176.870 0.120 0.000 1.078 302 L CA 0.887 55.781 54.840 0.090 0.000 0.749 302 L CB -0.412 41.688 42.059 0.068 0.000 0.901 302 L HN 0.233 nan 8.230 nan 0.000 0.433 303 V N -0.193 119.765 119.914 0.073 0.000 2.548 303 V HA -0.199 3.921 4.120 -0.000 0.000 0.249 303 V C 2.052 178.134 176.094 -0.021 0.000 1.055 303 V CA 1.370 63.675 62.300 0.008 0.000 1.065 303 V CB -0.092 31.726 31.823 -0.009 0.000 0.681 303 V HN 0.355 nan 8.190 nan 0.000 0.462 304 L N -0.726 120.538 121.223 0.068 0.000 2.554 304 L HA 0.220 4.560 4.340 -0.000 0.000 0.225 304 L C 0.044 177.067 176.870 0.254 0.000 1.104 304 L CA 0.258 55.157 54.840 0.099 0.000 0.866 304 L CB -0.031 42.068 42.059 0.068 0.000 1.047 304 L HN 0.343 nan 8.230 nan 0.000 0.468 305 N N -0.790 118.076 118.700 0.277 0.000 2.314 305 N HA 0.294 5.034 4.740 -0.000 0.000 0.294 305 N C 0.460 176.039 175.510 0.115 0.000 1.029 305 N CA -0.586 52.579 53.050 0.192 0.000 0.845 305 N CB 1.596 40.133 38.487 0.084 0.000 1.321 305 N HN -0.145 nan 8.380 nan 0.000 0.481 306 R N 0.526 120.870 120.500 -0.261 0.000 2.080 306 R HA -0.045 4.295 4.340 -0.000 0.000 0.236 306 R C -0.469 175.704 176.300 -0.211 0.000 1.137 306 R CA 1.260 57.007 56.100 -0.588 0.000 0.943 306 R CB 0.023 29.951 30.300 -0.618 0.000 0.846 306 R HN 0.614 nan 8.270 nan 0.000 0.431 307 D N -0.030 120.295 120.400 -0.124 0.000 2.696 307 D HA 0.247 4.887 4.640 -0.000 0.000 0.251 307 D C -0.955 175.331 176.300 -0.025 0.000 1.188 307 D CA -0.294 53.669 54.000 -0.061 0.000 0.876 307 D CB 2.066 42.827 40.800 -0.065 0.000 1.334 307 D HN -0.021 nan 8.370 nan 0.000 0.540 308 L N 1.934 123.155 121.223 -0.003 0.000 2.265 308 L HA 0.275 4.615 4.340 -0.000 0.000 0.288 308 L C 0.456 177.328 176.870 0.005 0.000 1.058 308 L CA -0.844 54.001 54.840 0.007 0.000 0.809 308 L CB 1.416 43.487 42.059 0.020 0.000 1.179 308 L HN 0.093 nan 8.230 nan 0.000 0.429 309 V N 6.046 125.962 119.914 0.004 0.000 2.149 309 V HA 0.164 4.284 4.120 -0.000 0.000 0.245 309 V C 0.531 176.630 176.094 0.008 0.000 1.349 309 V CA 0.246 62.548 62.300 0.004 0.000 1.289 309 V CB -0.720 31.104 31.823 0.002 0.000 1.401 309 V HN 0.542 nan 8.190 nan 0.000 0.501 310 L N 0.000 121.229 121.223 0.010 0.000 2.949 310 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 310 L CA 0.000 54.848 54.840 0.013 0.000 0.813 310 L CB 0.000 42.068 42.059 0.015 0.000 0.961 310 L HN 0.000 nan 8.230 nan 0.000 0.502