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 3p32_1_A DATA FIRST_RESID 10 DATA SEQUENCE TVDGLATAVR GGDRAALPRA ITLVESTRPD HREQAQQLLL RLLPDSGNAH DATA SEQUENCE RVGITGVPGV GKSTAIEALG MHLIERGHRV AVLAVDXXXX XXXXXXXXXX DATA SEQUENCE XXMARLAVHP NAYIRPSPXX GTLGGVTRAT RETVVLLEAA GFDVILIETV DATA SEQUENCE GVGQSEVAVA NMVDTFVLLT LARTGDQLQG IKKGVLELAD IVVVNKADGE DATA SEQUENCE HHKEARLAAR ELSAAIRLIY PREALWRPPV LTMSAVEGRG LAELWDTVER DATA SEQUENCE HRQVLTGAGE FDARRRDQQV DWTWQLVRDA VLDRVWSNPT VRKVRSELER DATA SEQUENCE RVRAGELTPA LAAQQILEIA NLTD 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 10 T HA 0.000 nan 4.350 nan 0.000 0.228 10 T C 0.000 174.710 174.700 0.016 0.000 1.109 10 T CA 0.000 62.110 62.100 0.017 0.000 1.349 10 T CB 0.000 68.876 68.868 0.013 0.000 0.612 11 V N 0.835 120.760 119.914 0.019 0.000 2.317 11 V HA -0.201 3.910 4.120 -0.015 0.000 0.251 11 V C 2.433 178.535 176.094 0.013 0.000 1.065 11 V CA 2.700 65.011 62.300 0.018 0.000 1.049 11 V CB -0.966 30.868 31.823 0.019 0.000 0.651 11 V HN 1.082 nan 8.190 nan 0.000 0.450 12 D N -0.280 120.127 120.400 0.012 0.000 2.144 12 D HA -0.078 4.553 4.640 -0.015 0.000 0.200 12 D C 2.154 178.460 176.300 0.009 0.000 0.978 12 D CA 1.302 55.307 54.000 0.010 0.000 0.833 12 D CB -0.298 40.508 40.800 0.009 0.000 0.961 12 D HN 0.422 nan 8.370 nan 0.000 0.470 13 G N 0.039 108.844 108.800 0.009 0.000 2.394 13 G HA2 -0.195 3.756 3.960 -0.015 0.000 0.214 13 G HA3 -0.195 3.756 3.960 -0.015 0.000 0.214 13 G C 1.465 176.370 174.900 0.008 0.000 1.176 13 G CA 0.319 45.423 45.100 0.008 0.000 0.786 13 G HN 0.221 nan 8.290 nan 0.000 0.533 14 L N 1.509 122.737 121.223 0.009 0.000 2.012 14 L HA 0.026 4.357 4.340 -0.015 0.000 0.210 14 L C 3.194 180.067 176.870 0.006 0.000 1.073 14 L CA 2.099 56.943 54.840 0.007 0.000 0.748 14 L CB -0.786 41.277 42.059 0.008 0.000 0.891 14 L HN 0.266 nan 8.230 nan 0.000 0.431 15 A N -1.950 120.874 122.820 0.008 0.000 1.892 15 A HA -0.268 4.044 4.320 -0.015 0.000 0.218 15 A C 2.314 179.902 177.584 0.007 0.000 1.188 15 A CA 2.531 54.572 52.037 0.008 0.000 0.631 15 A CB -1.242 17.763 19.000 0.009 0.000 0.822 15 A HN 0.492 nan 8.150 nan 0.000 0.447 16 T N 0.029 114.587 114.554 0.006 0.000 2.746 16 T HA -0.029 4.312 4.350 -0.015 0.000 0.267 16 T C 2.174 176.876 174.700 0.004 0.000 1.039 16 T CA 1.677 63.780 62.100 0.005 0.000 1.142 16 T CB -0.407 68.464 68.868 0.004 0.000 0.866 16 T HN 0.617 nan 8.240 nan 0.000 0.444 17 A N 0.629 123.452 122.820 0.004 0.000 1.930 17 A HA 0.019 4.331 4.320 -0.015 0.000 0.217 17 A C 2.543 180.129 177.584 0.002 0.000 1.175 17 A CA 1.036 53.074 52.037 0.003 0.000 0.627 17 A CB -0.786 18.217 19.000 0.004 0.000 0.815 17 A HN 0.355 nan 8.150 nan 0.000 0.443 18 V N 1.194 121.110 119.914 0.003 0.000 2.244 18 V HA -0.286 3.825 4.120 -0.015 0.000 0.244 18 V C 2.716 178.814 176.094 0.006 0.000 1.042 18 V CA 2.346 64.648 62.300 0.003 0.000 1.006 18 V CB -0.900 30.925 31.823 0.002 0.000 0.641 18 V HN 0.837 nan 8.190 nan 0.000 0.446 19 R N 1.148 121.651 120.500 0.006 0.000 2.189 19 R HA -0.019 4.313 4.340 -0.015 0.000 0.223 19 R C 2.029 178.328 176.300 -0.002 0.000 1.092 19 R CA 1.624 57.728 56.100 0.005 0.000 0.989 19 R CB -0.809 29.495 30.300 0.008 0.000 0.876 19 R HN 0.439 nan 8.270 nan 0.000 0.457 20 G N -0.207 108.592 108.800 -0.003 0.000 2.813 20 G HA2 0.189 4.140 3.960 -0.015 0.000 0.209 20 G HA3 0.189 4.140 3.960 -0.015 0.000 0.209 20 G C 0.935 175.828 174.900 -0.011 0.000 1.150 20 G CA 0.183 45.279 45.100 -0.007 0.000 0.785 20 G HN 0.624 nan 8.290 nan 0.000 0.535 21 G N 0.092 108.886 108.800 -0.010 0.000 2.130 21 G HA2 -0.251 3.700 3.960 -0.015 0.000 0.216 21 G HA3 -0.251 3.700 3.960 -0.015 0.000 0.216 21 G C -0.037 174.858 174.900 -0.007 0.000 0.999 21 G CA 0.145 45.235 45.100 -0.017 0.000 0.686 21 G HN 0.564 nan 8.290 nan 0.000 0.515 22 D N 0.306 120.706 120.400 0.000 0.000 2.382 22 D HA 0.519 5.150 4.640 -0.015 0.000 0.259 22 D C 1.715 178.024 176.300 0.015 0.000 1.224 22 D CA 0.736 54.740 54.000 0.007 0.000 0.894 22 D CB 0.642 41.446 40.800 0.006 0.000 1.127 22 D HN 0.606 nan 8.370 nan 0.000 0.487 23 R N 3.456 123.972 120.500 0.026 0.000 2.189 23 R HA 0.060 4.391 4.340 -0.015 0.000 0.223 23 R C 2.029 178.359 176.300 0.050 0.000 1.092 23 R CA 1.630 57.759 56.100 0.048 0.000 0.989 23 R CB -0.859 29.480 30.300 0.066 0.000 0.876 23 R HN 0.600 nan 8.270 nan 0.000 0.457 24 A N 0.307 123.148 122.820 0.035 0.000 1.975 24 A HA 0.452 4.763 4.320 -0.015 0.000 0.215 24 A C 2.749 180.346 177.584 0.022 0.000 1.170 24 A CA 1.157 53.213 52.037 0.033 0.000 0.656 24 A CB -0.488 18.527 19.000 0.025 0.000 0.821 24 A HN 0.764 nan 8.150 nan 0.000 0.449 25 A N -0.060 122.767 122.820 0.013 0.000 1.902 25 A HA -0.030 4.281 4.320 -0.015 0.000 0.217 25 A C 2.081 179.661 177.584 -0.006 0.000 1.181 25 A CA 1.677 53.716 52.037 0.004 0.000 0.623 25 A CB -0.689 18.312 19.000 0.003 0.000 0.818 25 A HN 0.617 nan 8.150 nan 0.000 0.443 26 L N 0.598 121.810 121.223 -0.019 0.000 1.978 26 L HA -0.119 4.213 4.340 -0.015 0.000 0.218 26 L C -0.747 176.090 176.870 -0.055 0.000 1.075 26 L CA 2.802 57.602 54.840 -0.066 0.000 0.767 26 L CB -1.328 40.648 42.059 -0.138 0.000 0.890 26 L HN 0.190 nan 8.230 nan 0.000 0.434 27 P HA -0.126 nan 4.420 nan 0.000 0.218 27 P C 1.610 178.926 177.300 0.026 0.000 1.149 27 P CA 2.343 65.481 63.100 0.063 0.000 0.817 27 P CB -0.268 31.504 31.700 0.119 0.000 0.785 28 R N 0.271 120.777 120.500 0.010 0.000 2.075 28 R HA 0.058 4.390 4.340 -0.015 0.000 0.232 28 R C 2.318 178.606 176.300 -0.021 0.000 1.126 28 R CA 1.865 57.961 56.100 -0.007 0.000 0.963 28 R CB -2.063 28.235 30.300 -0.003 0.000 0.858 28 R HN 0.276 nan 8.270 nan 0.000 0.435 29 A N 0.954 123.764 122.820 -0.018 0.000 1.902 29 A HA 0.020 4.331 4.320 -0.015 0.000 0.217 29 A C 2.436 180.006 177.584 -0.023 0.000 1.181 29 A CA 1.497 53.522 52.037 -0.021 0.000 0.623 29 A CB -0.319 18.669 19.000 -0.020 0.000 0.818 29 A HN 0.517 nan 8.150 nan 0.000 0.443 30 I N -0.604 119.954 120.570 -0.021 0.000 2.252 30 I HA -0.204 3.957 4.170 -0.015 0.000 0.245 30 I C 2.558 178.666 176.117 -0.014 0.000 1.102 30 I CA 1.626 62.920 61.300 -0.010 0.000 1.385 30 I CB -0.665 37.344 38.000 0.014 0.000 1.064 30 I HN 0.232 nan 8.210 nan 0.000 0.414 31 T N 1.353 115.894 114.554 -0.022 0.000 2.684 31 T HA -0.216 4.125 4.350 -0.015 0.000 0.267 31 T C 1.903 176.541 174.700 -0.103 0.000 1.036 31 T CA 1.496 63.566 62.100 -0.051 0.000 1.148 31 T CB -0.382 68.455 68.868 -0.051 0.000 0.863 31 T HN 0.190 nan 8.240 nan 0.000 0.436 32 L N 0.946 122.102 121.223 -0.111 0.000 2.042 32 L HA -0.052 4.279 4.340 -0.015 0.000 0.210 32 L C 2.462 179.294 176.870 -0.064 0.000 1.076 32 L CA 1.445 56.200 54.840 -0.141 0.000 0.749 32 L CB -0.597 41.418 42.059 -0.074 0.000 0.893 32 L HN 0.066 nan 8.230 nan 0.000 0.432 33 V N -0.456 119.442 119.914 -0.026 0.000 2.427 33 V HA -0.261 3.851 4.120 -0.015 0.000 0.248 33 V C 2.374 178.474 176.094 0.010 0.000 1.051 33 V CA 1.950 64.252 62.300 0.004 0.000 1.048 33 V CB -0.463 31.364 31.823 0.007 0.000 0.666 33 V HN 0.516 nan 8.190 nan 0.000 0.456 34 E N -0.438 119.759 120.200 -0.005 0.000 2.347 34 E HA -0.047 4.294 4.350 -0.015 0.000 0.196 34 E C 1.176 177.781 176.600 0.009 0.000 1.008 34 E CA 0.225 56.628 56.400 0.004 0.000 0.852 34 E CB 0.058 29.757 29.700 -0.002 0.000 0.783 34 E HN 0.424 nan 8.360 nan 0.000 0.505 35 S N 0.519 116.214 115.700 -0.008 0.000 2.531 35 S HA 0.029 4.491 4.470 -0.015 0.000 0.279 35 S C 0.958 175.609 174.600 0.086 0.000 1.305 35 S CA -0.191 58.028 58.200 0.033 0.000 1.058 35 S CB 0.789 63.973 63.200 -0.027 0.000 0.899 35 S HN 0.236 nan 8.310 nan 0.000 0.493 36 T N 1.053 115.661 114.554 0.089 0.000 3.134 36 T HA 0.329 4.671 4.350 -0.015 0.000 0.260 36 T C 0.750 175.496 174.700 0.077 0.000 1.027 36 T CA -0.141 62.004 62.100 0.075 0.000 0.913 36 T CB -0.311 68.589 68.868 0.052 0.000 1.046 36 T HN 0.721 nan 8.240 nan 0.000 0.553 37 R N 2.157 122.728 120.500 0.119 0.000 2.401 37 R HA 0.452 4.783 4.340 -0.015 0.000 0.299 37 R C -1.630 174.680 176.300 0.016 0.000 1.064 37 R CA -1.466 54.669 56.100 0.057 0.000 1.000 37 R CB -1.147 29.179 30.300 0.044 0.000 0.973 37 R HN 0.199 nan 8.270 nan 0.000 0.438 38 P HA -0.217 nan 4.420 nan 0.000 0.219 38 P C 0.471 177.751 177.300 -0.033 0.000 1.146 38 P CA 1.480 64.571 63.100 -0.014 0.000 0.808 38 P CB 0.375 32.064 31.700 -0.020 0.000 0.779 39 D N -1.411 118.932 120.400 -0.095 0.000 2.097 39 D HA -0.200 4.431 4.640 -0.015 0.000 0.197 39 D C 1.718 177.977 176.300 -0.069 0.000 0.984 39 D CA 1.586 55.513 54.000 -0.121 0.000 0.826 39 D CB -1.477 39.194 40.800 -0.215 0.000 0.973 39 D HN 0.319 nan 8.370 nan 0.000 0.460 40 H N 0.325 119.400 119.070 0.008 0.000 2.321 40 H HA 0.020 4.566 4.556 -0.015 0.000 0.300 40 H C 2.717 178.051 175.328 0.011 0.000 1.087 40 H CA 2.144 58.198 56.048 0.010 0.000 1.319 40 H CB -0.043 29.726 29.762 0.012 0.000 1.379 40 H HN 0.196 nan 8.280 nan 0.000 0.501 41 R N 1.420 121.999 120.500 0.131 0.000 2.117 41 R HA -0.213 4.119 4.340 -0.015 0.000 0.243 41 R C 2.047 178.378 176.300 0.052 0.000 1.143 41 R CA 2.061 58.207 56.100 0.077 0.000 0.968 41 R CB -1.144 29.186 30.300 0.051 0.000 0.863 41 R HN 0.539 nan 8.270 nan 0.000 0.444 42 E N 1.138 121.361 120.200 0.040 0.000 2.107 42 E HA -0.204 4.137 4.350 -0.015 0.000 0.191 42 E C 2.249 178.868 176.600 0.031 0.000 0.982 42 E CA 1.959 58.374 56.400 0.024 0.000 0.809 42 E CB -0.125 29.580 29.700 0.009 0.000 0.756 42 E HN 0.833 nan 8.360 nan 0.000 0.459 43 Q N 0.173 120.002 119.800 0.047 0.000 2.083 43 Q HA 0.008 4.339 4.340 -0.015 0.000 0.198 43 Q C 2.339 178.366 176.000 0.045 0.000 0.969 43 Q CA 1.180 57.012 55.803 0.047 0.000 0.838 43 Q CB -0.440 28.337 28.738 0.064 0.000 0.900 43 Q HN 0.279 nan 8.270 nan 0.000 0.436 44 A N 1.834 124.687 122.820 0.055 0.000 1.903 44 A HA -0.262 4.049 4.320 -0.015 0.000 0.219 44 A C 2.232 179.837 177.584 0.035 0.000 1.191 44 A CA 1.857 53.919 52.037 0.042 0.000 0.638 44 A CB -0.557 18.472 19.000 0.049 0.000 0.823 44 A HN 0.279 nan 8.150 nan 0.000 0.451 45 Q N -0.700 119.120 119.800 0.034 0.000 2.124 45 Q HA -0.166 4.166 4.340 -0.015 0.000 0.202 45 Q C 2.250 178.262 176.000 0.020 0.000 0.977 45 Q CA 1.522 57.340 55.803 0.026 0.000 0.850 45 Q CB -0.434 28.314 28.738 0.017 0.000 0.901 45 Q HN 0.713 nan 8.270 nan 0.000 0.429 46 Q N 0.064 119.875 119.800 0.019 0.000 2.079 46 Q HA -0.081 4.250 4.340 -0.015 0.000 0.200 46 Q C 2.202 178.213 176.000 0.017 0.000 0.974 46 Q CA 0.643 56.456 55.803 0.016 0.000 0.840 46 Q CB -0.551 28.196 28.738 0.015 0.000 0.898 46 Q HN 0.299 nan 8.270 nan 0.000 0.430 47 L N 0.372 121.607 121.223 0.020 0.000 2.017 47 L HA -0.123 4.208 4.340 -0.015 0.000 0.208 47 L C 2.098 178.979 176.870 0.018 0.000 1.073 47 L CA 1.451 56.302 54.840 0.018 0.000 0.745 47 L CB -0.585 41.484 42.059 0.018 0.000 0.894 47 L HN 0.123 nan 8.230 nan 0.000 0.432 48 L N -1.281 119.955 121.223 0.021 0.000 2.083 48 L HA -0.200 4.131 4.340 -0.015 0.000 0.209 48 L C 2.443 179.326 176.870 0.022 0.000 1.083 48 L CA 0.760 55.615 54.840 0.024 0.000 0.752 48 L CB -0.623 41.455 42.059 0.031 0.000 0.899 48 L HN 0.329 nan 8.230 nan 0.000 0.433 49 L N 0.470 121.705 121.223 0.019 0.000 2.083 49 L HA -0.225 4.106 4.340 -0.015 0.000 0.209 49 L C 3.101 179.980 176.870 0.015 0.000 1.083 49 L CA 2.331 57.180 54.840 0.016 0.000 0.752 49 L CB -0.737 41.329 42.059 0.012 0.000 0.899 49 L HN 0.185 nan 8.230 nan 0.000 0.433 50 R N -0.603 119.906 120.500 0.014 0.000 2.115 50 R HA 0.052 4.383 4.340 -0.015 0.000 0.226 50 R C 2.022 178.331 176.300 0.015 0.000 1.100 50 R CA 1.786 57.894 56.100 0.013 0.000 0.980 50 R CB -1.409 28.898 30.300 0.012 0.000 0.875 50 R HN 0.540 nan 8.270 nan 0.000 0.445 51 L N -0.231 121.002 121.223 0.017 0.000 2.513 51 L HA 0.156 4.487 4.340 -0.015 0.000 0.222 51 L C 2.229 179.112 176.870 0.022 0.000 1.096 51 L CA -0.084 54.767 54.840 0.018 0.000 0.857 51 L CB 0.003 42.073 42.059 0.018 0.000 1.026 51 L HN 0.202 nan 8.230 nan 0.000 0.469 52 L N 1.485 122.722 121.223 0.022 0.000 2.051 52 L HA -0.152 4.180 4.340 -0.015 0.000 0.214 52 L C -0.395 176.490 176.870 0.025 0.000 1.076 52 L CA 2.314 57.169 54.840 0.025 0.000 0.758 52 L CB -1.371 40.703 42.059 0.025 0.000 0.890 52 L HN 0.125 nan 8.230 nan 0.000 0.433 53 P HA -0.085 nan 4.420 nan 0.000 0.223 53 P C 0.581 177.895 177.300 0.024 0.000 1.151 53 P CA 1.247 64.359 63.100 0.022 0.000 0.787 53 P CB -0.037 31.673 31.700 0.017 0.000 0.788 54 D N -1.151 119.264 120.400 0.024 0.000 2.339 54 D HA 0.024 4.656 4.640 -0.015 0.000 0.217 54 D C 0.958 177.280 176.300 0.036 0.000 1.050 54 D CA 0.460 54.476 54.000 0.026 0.000 0.856 54 D CB 0.154 40.968 40.800 0.023 0.000 0.922 54 D HN 0.275 nan 8.370 nan 0.000 0.518 55 S N -1.498 114.225 115.700 0.039 0.000 2.738 55 S HA 0.560 5.022 4.470 -0.015 0.000 0.284 55 S C 1.334 175.968 174.600 0.056 0.000 1.146 55 S CA 0.195 58.423 58.200 0.048 0.000 0.997 55 S CB 2.277 65.502 63.200 0.042 0.000 1.081 55 S HN 0.183 nan 8.310 nan 0.000 0.553 56 G N 0.639 109.479 108.800 0.068 0.000 2.217 56 G HA2 -0.240 3.711 3.960 -0.015 0.000 0.246 56 G HA3 -0.240 3.711 3.960 -0.015 0.000 0.246 56 G C 0.193 175.156 174.900 0.106 0.000 0.990 56 G CA 0.107 45.256 45.100 0.082 0.000 0.627 56 G HN 0.728 nan 8.290 nan 0.000 0.522 57 N N 1.853 120.609 118.700 0.093 0.000 3.303 57 N HA 0.541 5.273 4.740 -0.015 0.000 0.304 57 N C 0.208 175.793 175.510 0.124 0.000 1.302 57 N CA 0.981 54.087 53.050 0.093 0.000 1.213 57 N CB 0.179 38.706 38.487 0.067 0.000 1.481 57 N HN 0.943 nan 8.380 nan 0.000 0.546 58 A N 0.174 123.090 122.820 0.160 0.000 2.601 58 A HA 0.304 4.616 4.320 -0.015 0.000 0.291 58 A C -1.583 176.169 177.584 0.281 0.000 1.075 58 A CA -0.670 51.494 52.037 0.211 0.000 0.671 58 A CB 1.254 20.372 19.000 0.197 0.000 1.277 58 A HN 0.579 nan 8.150 nan 0.000 0.417 59 H N 0.516 119.716 119.070 0.217 0.000 2.504 59 H HA 0.591 5.138 4.556 -0.015 0.000 0.322 59 H C -0.264 175.195 175.328 0.218 0.000 1.055 59 H CA -0.683 55.512 56.048 0.245 0.000 1.231 59 H CB 0.701 30.602 29.762 0.232 0.000 1.417 59 H HN 0.583 nan 8.280 nan 0.000 0.472 60 R N 3.990 124.760 120.500 0.451 0.000 2.255 60 R HA 0.395 4.726 4.340 -0.015 0.000 0.326 60 R C -1.185 175.264 176.300 0.248 0.000 0.986 60 R CA -0.760 55.495 56.100 0.259 0.000 0.847 60 R CB 1.766 32.155 30.300 0.148 0.000 1.111 60 R HN 0.219 nan 8.270 nan 0.000 0.452 61 V N 2.225 122.232 119.914 0.155 0.000 2.531 61 V HA 0.547 4.659 4.120 -0.015 0.000 0.301 61 V C 0.380 176.523 176.094 0.082 0.000 1.034 61 V CA -0.878 61.479 62.300 0.095 0.000 0.865 61 V CB 1.979 33.840 31.823 0.062 0.000 0.995 61 V HN 0.948 nan 8.190 nan 0.000 0.424 62 G N 4.102 112.962 108.800 0.100 0.000 2.389 62 G HA2 0.788 4.739 3.960 -0.015 0.000 0.317 62 G HA3 0.788 4.739 3.960 -0.015 0.000 0.317 62 G C -1.014 173.759 174.900 -0.212 0.000 1.137 62 G CA -0.492 44.653 45.100 0.074 0.000 0.870 62 G HN 0.605 nan 8.290 nan 0.000 0.496 63 I N 0.607 121.046 120.570 -0.219 0.000 2.512 63 I HA 0.408 4.569 4.170 -0.015 0.000 0.287 63 I C -0.059 175.904 176.117 -0.257 0.000 1.069 63 I CA -0.390 60.745 61.300 -0.275 0.000 1.056 63 I CB 2.664 40.586 38.000 -0.131 0.000 1.229 63 I HN 0.534 nan 8.210 nan 0.000 0.429 64 T N 3.388 117.734 114.554 -0.346 0.000 2.838 64 T HA 0.959 5.300 4.350 -0.015 0.000 0.292 64 T C -0.694 173.930 174.700 -0.127 0.000 1.113 64 T CA -0.293 61.697 62.100 -0.183 0.000 1.008 64 T CB 2.092 70.898 68.868 -0.104 0.000 1.259 64 T HN 1.007 nan 8.240 nan 0.000 0.520 65 G N 0.298 109.064 108.800 -0.056 0.000 2.350 65 G HA2 0.400 4.351 3.960 -0.015 0.000 0.304 65 G HA3 0.400 4.351 3.960 -0.015 0.000 0.304 65 G C -0.683 174.204 174.900 -0.021 0.000 1.421 65 G CA -0.150 44.926 45.100 -0.039 0.000 0.934 65 G HN 1.420 nan 8.290 nan 0.000 0.632 66 V N -1.325 118.579 119.914 -0.017 0.000 2.963 66 V HA 0.565 4.676 4.120 -0.015 0.000 0.306 66 V C -1.910 174.175 176.094 -0.016 0.000 1.077 66 V CA -1.384 60.909 62.300 -0.012 0.000 1.124 66 V CB 0.420 32.236 31.823 -0.012 0.000 0.987 66 V HN 0.588 nan 8.190 nan 0.000 0.487 67 P HA 0.238 nan 4.420 nan 0.000 0.262 67 P C 0.992 178.282 177.300 -0.016 0.000 1.182 67 P CA 1.947 65.039 63.100 -0.014 0.000 0.761 67 P CB 0.501 32.194 31.700 -0.010 0.000 0.795 68 G N 1.954 110.743 108.800 -0.018 0.000 2.179 68 G HA2 -0.312 3.639 3.960 -0.015 0.000 0.260 68 G HA3 -0.312 3.639 3.960 -0.015 0.000 0.260 68 G C 0.990 175.877 174.900 -0.022 0.000 0.977 68 G CA 0.159 45.248 45.100 -0.018 0.000 0.641 68 G HN 0.521 nan 8.290 nan 0.000 0.533 69 V N 0.423 120.321 119.914 -0.026 0.000 2.759 69 V HA 0.388 4.499 4.120 -0.015 0.000 0.256 69 V C 2.043 178.118 176.094 -0.032 0.000 1.080 69 V CA 3.217 65.498 62.300 -0.031 0.000 1.101 69 V CB -0.156 31.646 31.823 -0.035 0.000 0.698 69 V HN 2.259 nan 8.190 nan 0.000 0.477 70 G N -0.586 108.196 108.800 -0.030 0.000 2.155 70 G HA2 -0.182 3.770 3.960 -0.015 0.000 0.135 70 G HA3 -0.182 3.770 3.960 -0.015 0.000 0.135 70 G C 0.538 175.419 174.900 -0.032 0.000 1.023 70 G CA 0.330 45.413 45.100 -0.029 0.000 0.688 70 G HN 0.448 nan 8.290 nan 0.000 0.499 71 K N 0.429 120.807 120.400 -0.035 0.000 2.032 71 K HA -0.036 4.275 4.320 -0.015 0.000 0.209 71 K C 2.593 179.172 176.600 -0.035 0.000 1.048 71 K CA 1.711 57.973 56.287 -0.041 0.000 0.927 71 K CB -0.220 32.253 32.500 -0.044 0.000 0.712 71 K HN 0.277 nan 8.250 nan 0.000 0.441 72 S N 0.411 116.093 115.700 -0.030 0.000 2.368 72 S HA -0.110 4.351 4.470 -0.015 0.000 0.224 72 S C 2.024 176.609 174.600 -0.026 0.000 1.029 72 S CA 1.607 59.790 58.200 -0.028 0.000 0.988 72 S CB -0.284 62.901 63.200 -0.025 0.000 0.838 72 S HN 0.348 nan 8.310 nan 0.000 0.462 73 T N 2.356 116.896 114.554 -0.023 0.000 2.708 73 T HA -0.050 4.291 4.350 -0.015 0.000 0.266 73 T C 2.144 176.831 174.700 -0.023 0.000 1.037 73 T CA 1.269 63.356 62.100 -0.020 0.000 1.146 73 T CB -0.519 68.338 68.868 -0.018 0.000 0.865 73 T HN 0.453 nan 8.240 nan 0.000 0.435 74 A N 1.035 123.839 122.820 -0.027 0.000 1.902 74 A HA -0.022 4.289 4.320 -0.015 0.000 0.217 74 A C 2.305 179.871 177.584 -0.030 0.000 1.181 74 A CA 1.240 53.260 52.037 -0.029 0.000 0.623 74 A CB -0.802 18.178 19.000 -0.032 0.000 0.818 74 A HN 0.516 nan 8.150 nan 0.000 0.443 75 I N -0.747 119.804 120.570 -0.032 0.000 2.226 75 I HA -0.261 3.900 4.170 -0.015 0.000 0.245 75 I C 2.557 178.652 176.117 -0.037 0.000 1.100 75 I CA 1.796 63.075 61.300 -0.035 0.000 1.374 75 I CB -0.309 37.670 38.000 -0.034 0.000 1.057 75 I HN 0.555 nan 8.210 nan 0.000 0.413 76 E N 1.248 121.430 120.200 -0.030 0.000 2.058 76 E HA -0.277 4.065 4.350 -0.015 0.000 0.194 76 E C 2.221 178.807 176.600 -0.024 0.000 0.997 76 E CA 1.658 58.043 56.400 -0.025 0.000 0.801 76 E CB -0.074 29.615 29.700 -0.018 0.000 0.746 76 E HN 0.482 nan 8.360 nan 0.000 0.450 77 A N 0.670 123.477 122.820 -0.021 0.000 1.898 77 A HA -0.125 4.186 4.320 -0.015 0.000 0.216 77 A C 2.136 179.711 177.584 -0.015 0.000 1.181 77 A CA 1.253 53.282 52.037 -0.013 0.000 0.620 77 A CB -0.636 18.356 19.000 -0.013 0.000 0.819 77 A HN 0.397 nan 8.150 nan 0.000 0.442 78 L N 0.204 121.404 121.223 -0.038 0.000 2.046 78 L HA 0.006 4.337 4.340 -0.015 0.000 0.208 78 L C 2.370 179.183 176.870 -0.094 0.000 1.077 78 L CA 2.316 57.118 54.840 -0.064 0.000 0.747 78 L CB -1.100 40.919 42.059 -0.066 0.000 0.896 78 L HN 0.289 nan 8.230 nan 0.000 0.432 79 G N -0.649 108.096 108.800 -0.092 0.000 2.440 79 G HA2 -0.264 3.687 3.960 -0.015 0.000 0.218 79 G HA3 -0.264 3.687 3.960 -0.015 0.000 0.218 79 G C 1.457 176.295 174.900 -0.104 0.000 1.154 79 G CA 1.125 46.160 45.100 -0.107 0.000 0.767 79 G HN 0.315 nan 8.290 nan 0.000 0.552 80 M N 0.039 119.600 119.600 -0.065 0.000 2.132 80 M HA 0.019 4.491 4.480 -0.015 0.000 0.263 80 M C 2.154 178.418 176.300 -0.060 0.000 1.065 80 M CA 1.380 56.638 55.300 -0.069 0.000 1.122 80 M CB -1.479 31.105 32.600 -0.027 0.000 1.365 80 M HN 0.490 nan 8.290 nan 0.000 0.411 81 H N 0.749 119.751 119.070 -0.113 0.000 2.321 81 H HA -0.142 4.405 4.556 -0.015 0.000 0.295 81 H C 1.904 177.149 175.328 -0.139 0.000 1.102 81 H CA 2.191 58.175 56.048 -0.108 0.000 1.266 81 H CB -0.159 29.540 29.762 -0.107 0.000 1.363 81 H HN 0.308 nan 8.280 nan 0.000 0.492 82 L N -0.613 120.486 121.223 -0.207 0.000 2.095 82 L HA -0.068 4.263 4.340 -0.015 0.000 0.204 82 L C 2.600 179.410 176.870 -0.101 0.000 1.080 82 L CA 0.994 55.689 54.840 -0.242 0.000 0.759 82 L CB -0.283 41.496 42.059 -0.466 0.000 0.914 82 L HN 0.318 nan 8.230 nan 0.000 0.439 83 I N 0.060 120.533 120.570 -0.161 0.000 2.264 83 I HA -0.295 3.867 4.170 -0.015 0.000 0.248 83 I C 2.244 178.243 176.117 -0.197 0.000 1.111 83 I CA 1.425 62.598 61.300 -0.213 0.000 1.382 83 I CB -0.193 37.560 38.000 -0.411 0.000 1.060 83 I HN 0.294 nan 8.210 nan 0.000 0.418 84 E N 0.270 120.361 120.200 -0.180 0.000 2.347 84 E HA -0.134 4.207 4.350 -0.015 0.000 0.196 84 E C 1.640 178.151 176.600 -0.150 0.000 1.008 84 E CA 0.482 56.798 56.400 -0.141 0.000 0.852 84 E CB 0.044 29.674 29.700 -0.117 0.000 0.783 84 E HN 0.441 nan 8.360 nan 0.000 0.505 85 R N -0.606 119.785 120.500 -0.181 0.000 2.427 85 R HA 0.127 4.458 4.340 -0.015 0.000 0.262 85 R C 0.792 176.921 176.300 -0.284 0.000 0.943 85 R CA 0.426 56.411 56.100 -0.191 0.000 1.081 85 R CB 0.865 31.061 30.300 -0.173 0.000 1.166 85 R HN 0.194 nan 8.270 nan 0.000 0.534 86 G N 0.583 109.239 108.800 -0.239 0.000 2.157 86 G HA2 -0.242 3.709 3.960 -0.015 0.000 0.248 86 G HA3 -0.242 3.709 3.960 -0.015 0.000 0.248 86 G C -0.059 174.663 174.900 -0.295 0.000 0.979 86 G CA -0.322 44.631 45.100 -0.245 0.000 0.650 86 G HN 0.377 nan 8.290 nan 0.000 0.529 87 H N 0.317 119.323 119.070 -0.108 0.000 2.607 87 H HA 0.461 5.008 4.556 -0.015 0.000 0.367 87 H C 0.739 176.013 175.328 -0.091 0.000 1.181 87 H CA 0.079 56.074 56.048 -0.090 0.000 1.402 87 H CB 0.630 30.321 29.762 -0.119 0.000 1.474 87 H HN 0.267 nan 8.280 nan 0.000 0.596 88 R N 1.301 121.838 120.500 0.062 0.000 2.343 88 R HA 0.426 4.757 4.340 -0.015 0.000 0.320 88 R C -1.017 175.439 176.300 0.260 0.000 0.956 88 R CA -0.722 55.373 56.100 -0.009 0.000 0.836 88 R CB 1.574 31.654 30.300 -0.367 0.000 1.151 88 R HN 0.206 nan 8.270 nan 0.000 0.450 89 V N 2.350 122.485 119.914 0.368 0.000 2.448 89 V HA 0.587 4.699 4.120 -0.015 0.000 0.295 89 V C -0.190 176.087 176.094 0.305 0.000 1.025 89 V CA -0.805 61.663 62.300 0.280 0.000 0.859 89 V CB 1.671 33.529 31.823 0.057 0.000 0.988 89 V HN 0.898 nan 8.190 nan 0.000 0.431 90 A N 4.569 127.457 122.820 0.114 0.000 2.337 90 A HA 0.905 5.216 4.320 -0.015 0.000 0.329 90 A C -0.852 176.709 177.584 -0.039 0.000 1.146 90 A CA -0.584 51.385 52.037 -0.114 0.000 0.800 90 A CB 1.683 20.432 19.000 -0.417 0.000 1.220 90 A HN 0.683 nan 8.150 nan 0.000 0.472 91 V N 3.308 123.196 119.914 -0.044 0.000 2.444 91 V HA 0.476 4.587 4.120 -0.015 0.000 0.294 91 V C -0.391 175.677 176.094 -0.043 0.000 1.022 91 V CA -0.187 62.090 62.300 -0.039 0.000 0.850 91 V CB 0.977 32.773 31.823 -0.044 0.000 0.992 91 V HN 0.772 nan 8.190 nan 0.000 0.426 92 L N 3.655 124.861 121.223 -0.028 0.000 2.341 92 L HA 0.979 5.311 4.340 -0.015 0.000 0.267 92 L C 0.034 176.891 176.870 -0.022 0.000 1.009 92 L CA -0.747 54.078 54.840 -0.025 0.000 0.819 92 L CB 2.149 44.198 42.059 -0.017 0.000 1.323 92 L HN 0.699 nan 8.230 nan 0.000 0.425 93 A N 1.589 124.396 122.820 -0.022 0.000 2.386 93 A HA 0.792 5.104 4.320 -0.015 0.000 0.311 93 A C -1.042 176.535 177.584 -0.012 0.000 1.068 93 A CA -0.497 51.530 52.037 -0.017 0.000 0.743 93 A CB 1.838 20.825 19.000 -0.022 0.000 1.258 93 A HN 0.372 nan 8.150 nan 0.000 0.429 94 V N 2.426 122.337 119.914 -0.004 0.000 2.284 94 V HA 0.630 4.742 4.120 -0.015 0.000 0.274 94 V C 0.207 176.301 176.094 0.001 0.000 1.023 94 V CA 0.466 62.763 62.300 -0.004 0.000 0.808 94 V CB 0.448 32.269 31.823 -0.003 0.000 1.035 94 V HN 1.136 nan 8.190 nan 0.000 0.445 113 A N 0.310 123.123 122.820 -0.012 0.000 1.898 113 A HA 0.084 4.395 4.320 -0.015 0.000 0.214 113 A C 2.287 179.873 177.584 0.004 0.000 1.183 113 A CA 1.996 54.028 52.037 -0.008 0.000 0.622 113 A CB -0.315 18.680 19.000 -0.007 0.000 0.824 113 A HN 0.662 nan 8.150 nan 0.000 0.444 114 R N -0.403 120.102 120.500 0.008 0.000 2.105 114 R HA -0.022 4.309 4.340 -0.015 0.000 0.239 114 R C 2.048 178.370 176.300 0.037 0.000 1.135 114 R CA 1.848 57.961 56.100 0.021 0.000 0.967 114 R CB -1.520 28.790 30.300 0.017 0.000 0.861 114 R HN 0.504 nan 8.270 nan 0.000 0.442 115 L N 0.002 121.238 121.223 0.022 0.000 2.044 115 L HA 0.204 4.535 4.340 -0.015 0.000 0.205 115 L C 2.879 179.780 176.870 0.051 0.000 1.075 115 L CA 1.982 56.839 54.840 0.030 0.000 0.747 115 L CB -0.789 41.270 42.059 -0.000 0.000 0.903 115 L HN 0.416 nan 8.230 nan 0.000 0.435 116 A N -1.267 121.564 122.820 0.019 0.000 2.024 116 A HA -0.167 4.144 4.320 -0.015 0.000 0.220 116 A C 2.287 179.890 177.584 0.032 0.000 1.164 116 A CA 1.786 53.827 52.037 0.006 0.000 0.643 116 A CB -1.059 17.924 19.000 -0.029 0.000 0.806 116 A HN 0.315 nan 8.150 nan 0.000 0.451 117 V N -0.074 119.866 119.914 0.044 0.000 2.490 117 V HA -0.148 3.963 4.120 -0.015 0.000 0.250 117 V C 1.401 177.525 176.094 0.049 0.000 1.061 117 V CA 1.292 63.614 62.300 0.036 0.000 1.064 117 V CB -0.779 31.061 31.823 0.030 0.000 0.670 117 V HN 0.672 nan 8.190 nan 0.000 0.461 118 H N 1.390 120.472 119.070 0.020 0.000 2.646 118 H HA 0.128 4.675 4.556 -0.015 0.000 0.325 118 H C -1.426 173.934 175.328 0.053 0.000 1.075 118 H CA -1.818 54.247 56.048 0.029 0.000 1.421 118 H CB 1.897 31.674 29.762 0.025 0.000 1.461 118 H HN 0.096 nan 8.280 nan 0.000 0.525 119 P HA -0.094 nan 4.420 nan 0.000 0.222 119 P C 0.475 177.908 177.300 0.222 0.000 1.147 119 P CA 0.863 64.021 63.100 0.097 0.000 0.790 119 P CB 0.556 32.244 31.700 -0.021 0.000 0.780 120 N N -0.487 118.456 118.700 0.405 0.000 2.322 120 N HA 0.173 4.904 4.740 -0.015 0.000 0.194 120 N C 0.469 176.132 175.510 0.256 0.000 1.126 120 N CA 0.081 53.261 53.050 0.217 0.000 0.845 120 N CB 0.126 38.686 38.487 0.121 0.000 0.976 120 N HN 0.127 nan 8.380 nan 0.000 0.475 121 A N 0.126 123.143 122.820 0.327 0.000 2.337 121 A HA 0.615 4.927 4.320 -0.015 0.000 0.331 121 A C -1.498 176.334 177.584 0.412 0.000 1.137 121 A CA -0.474 51.761 52.037 0.331 0.000 0.807 121 A CB 1.256 20.355 19.000 0.165 0.000 1.250 121 A HN 0.209 nan 8.150 nan 0.000 0.468 122 Y N 1.270 121.647 120.300 0.128 0.000 2.354 122 Y HA 0.640 5.181 4.550 -0.014 0.000 0.330 122 Y C -1.119 174.712 175.900 -0.115 0.000 1.011 122 Y CA -0.725 57.343 58.100 -0.054 0.000 1.099 122 Y CB 1.428 39.683 38.460 -0.342 0.000 1.179 122 Y HN 0.568 nan 8.280 nan 0.000 0.442 123 I N 6.278 126.557 120.570 -0.485 0.000 2.406 123 I HA 0.807 4.969 4.170 -0.015 0.000 0.290 123 I C -0.291 175.543 176.117 -0.472 0.000 0.999 123 I CA -0.743 60.351 61.300 -0.344 0.000 1.124 123 I CB 1.583 39.466 38.000 -0.195 0.000 1.289 123 I HN 0.720 nan 8.210 nan 0.000 0.441 124 R N 5.874 126.213 120.500 -0.269 0.000 2.561 124 R HA 0.781 5.112 4.340 -0.015 0.000 0.297 124 R C -3.097 173.147 176.300 -0.093 0.000 0.969 124 R CA -1.656 54.335 56.100 -0.181 0.000 0.879 124 R CB 0.543 30.813 30.300 -0.051 0.000 1.178 124 R HN 0.376 nan 8.270 nan 0.000 0.445 125 P HA 0.186 nan 4.420 nan 0.000 0.272 125 P C -0.087 177.194 177.300 -0.032 0.000 1.240 125 P CA -0.367 62.703 63.100 -0.051 0.000 0.791 125 P CB 0.907 32.580 31.700 -0.045 0.000 0.978 126 S N 1.081 116.767 115.700 -0.024 0.000 2.549 126 S HA 0.241 4.702 4.470 -0.015 0.000 0.283 126 S C -1.807 172.786 174.600 -0.011 0.000 1.320 126 S CA -0.911 57.280 58.200 -0.016 0.000 1.058 126 S CB -0.890 62.302 63.200 -0.013 0.000 0.882 126 S HN 0.215 nan 8.310 nan 0.000 0.498 131 T N -0.217 114.336 114.554 -0.002 0.000 2.701 131 T HA 0.377 4.718 4.350 -0.015 0.000 0.303 131 T C 1.582 176.284 174.700 0.004 0.000 1.030 131 T CA 0.514 62.607 62.100 -0.012 0.000 1.010 131 T CB 1.010 69.864 68.868 -0.023 0.000 1.007 131 T HN 0.858 nan 8.240 nan 0.000 0.532 132 L N 1.492 122.714 121.223 -0.001 0.000 2.027 132 L HA 0.184 4.516 4.340 -0.015 0.000 0.206 132 L C 2.704 179.608 176.870 0.057 0.000 1.074 132 L CA 2.446 57.296 54.840 0.017 0.000 0.745 132 L CB -1.440 40.623 42.059 0.007 0.000 0.898 132 L HN 0.965 nan 8.230 nan 0.000 0.433 133 G N -1.058 107.788 108.800 0.077 0.000 2.469 133 G HA2 -0.280 3.671 3.960 -0.015 0.000 0.219 133 G HA3 -0.280 3.671 3.960 -0.015 0.000 0.219 133 G C 1.476 176.483 174.900 0.178 0.000 1.150 133 G CA 0.751 45.947 45.100 0.160 0.000 0.763 133 G HN 0.604 nan 8.290 nan 0.000 0.561 134 G N 0.489 109.347 108.800 0.098 0.000 2.394 134 G HA2 -0.075 3.877 3.960 -0.015 0.000 0.214 134 G HA3 -0.075 3.877 3.960 -0.015 0.000 0.214 134 G C 1.968 176.912 174.900 0.072 0.000 1.176 134 G CA 2.004 47.154 45.100 0.084 0.000 0.786 134 G HN 0.787 nan 8.290 nan 0.000 0.533 135 V N -1.083 118.858 119.914 0.045 0.000 2.427 135 V HA -0.117 3.994 4.120 -0.015 0.000 0.248 135 V C 2.621 178.718 176.094 0.004 0.000 1.051 135 V CA 2.587 64.899 62.300 0.020 0.000 1.048 135 V CB -1.407 30.420 31.823 0.007 0.000 0.666 135 V HN 0.244 nan 8.190 nan 0.000 0.456 136 T N 0.443 115.001 114.554 0.006 0.000 2.684 136 T HA -0.208 4.134 4.350 -0.015 0.000 0.267 136 T C 2.031 176.656 174.700 -0.125 0.000 1.036 136 T CA 2.296 64.341 62.100 -0.091 0.000 1.148 136 T CB -0.417 68.401 68.868 -0.084 0.000 0.863 136 T HN 0.570 nan 8.240 nan 0.000 0.436 137 R N 0.984 121.558 120.500 0.123 0.000 2.073 137 R HA -0.055 4.276 4.340 -0.015 0.000 0.234 137 R C 2.588 178.946 176.300 0.097 0.000 1.134 137 R CA 1.574 57.834 56.100 0.266 0.000 0.952 137 R CB -0.516 30.021 30.300 0.395 0.000 0.850 137 R HN 0.381 nan 8.270 nan 0.000 0.433 138 A N 0.077 122.933 122.820 0.061 0.000 1.930 138 A HA -0.108 4.204 4.320 -0.015 0.000 0.217 138 A C 2.174 179.756 177.584 -0.004 0.000 1.175 138 A CA 1.929 53.985 52.037 0.032 0.000 0.627 138 A CB -0.749 18.268 19.000 0.027 0.000 0.815 138 A HN 0.470 nan 8.150 nan 0.000 0.443 139 T N -0.350 114.184 114.554 -0.033 0.000 2.737 139 T HA -0.126 4.215 4.350 -0.015 0.000 0.265 139 T C 2.078 176.728 174.700 -0.084 0.000 1.038 139 T CA 1.490 63.556 62.100 -0.056 0.000 1.144 139 T CB -0.232 68.594 68.868 -0.070 0.000 0.866 139 T HN 0.498 nan 8.240 nan 0.000 0.434 140 R N 0.927 121.338 120.500 -0.148 0.000 2.091 140 R HA -0.086 4.245 4.340 -0.015 0.000 0.238 140 R C 2.552 178.806 176.300 -0.077 0.000 1.136 140 R CA 1.487 57.476 56.100 -0.185 0.000 0.959 140 R CB -0.203 29.857 30.300 -0.400 0.000 0.856 140 R HN 0.565 nan 8.270 nan 0.000 0.437 141 E N -0.488 119.699 120.200 -0.022 0.000 2.106 141 E HA -0.111 4.230 4.350 -0.015 0.000 0.192 141 E C 1.882 178.480 176.600 -0.003 0.000 0.984 141 E CA 1.459 57.868 56.400 0.014 0.000 0.806 141 E CB -0.022 29.705 29.700 0.046 0.000 0.750 141 E HN 0.288 nan 8.360 nan 0.000 0.458 142 T N 1.070 115.616 114.554 -0.014 0.000 2.788 142 T HA -0.125 4.217 4.350 -0.015 0.000 0.268 142 T C 2.118 176.797 174.700 -0.034 0.000 1.044 142 T CA 0.877 62.963 62.100 -0.024 0.000 1.139 142 T CB -0.186 68.671 68.868 -0.019 0.000 0.867 142 T HN -0.023 nan 8.240 nan 0.000 0.454 143 V N 1.292 121.187 119.914 -0.032 0.000 2.287 143 V HA -0.178 3.933 4.120 -0.015 0.000 0.248 143 V C 2.670 178.764 176.094 -0.000 0.000 1.053 143 V CA 1.419 63.706 62.300 -0.020 0.000 1.027 143 V CB -0.789 31.020 31.823 -0.024 0.000 0.646 143 V HN 0.326 nan 8.190 nan 0.000 0.447 144 V N -0.116 119.798 119.914 0.001 0.000 2.287 144 V HA -0.293 3.818 4.120 -0.015 0.000 0.248 144 V C 2.306 178.410 176.094 0.018 0.000 1.053 144 V CA 2.187 64.496 62.300 0.015 0.000 1.027 144 V CB -0.608 31.226 31.823 0.018 0.000 0.646 144 V HN 0.455 nan 8.190 nan 0.000 0.447 145 L N -0.858 120.365 121.223 0.001 0.000 2.017 145 L HA -0.192 4.140 4.340 -0.015 0.000 0.208 145 L C 2.455 179.326 176.870 0.002 0.000 1.073 145 L CA 1.554 56.390 54.840 -0.006 0.000 0.745 145 L CB -0.670 41.370 42.059 -0.031 0.000 0.894 145 L HN 0.296 nan 8.230 nan 0.000 0.432 146 L N -0.349 120.861 121.223 -0.022 0.000 2.042 146 L HA -0.223 4.108 4.340 -0.015 0.000 0.210 146 L C 2.566 179.547 176.870 0.185 0.000 1.076 146 L CA 1.426 56.273 54.840 0.012 0.000 0.749 146 L CB -0.538 41.433 42.059 -0.146 0.000 0.893 146 L HN 0.289 nan 8.230 nan 0.000 0.432 147 E N 0.059 120.331 120.200 0.120 0.000 2.072 147 E HA -0.192 4.149 4.350 -0.015 0.000 0.191 147 E C 2.340 179.001 176.600 0.100 0.000 0.985 147 E CA 1.043 57.522 56.400 0.131 0.000 0.801 147 E CB -0.193 29.565 29.700 0.098 0.000 0.750 147 E HN 0.496 nan 8.360 nan 0.000 0.452 148 A N 1.542 124.405 122.820 0.072 0.000 1.940 148 A HA -0.119 4.192 4.320 -0.015 0.000 0.219 148 A C 2.327 179.941 177.584 0.051 0.000 1.176 148 A CA 1.611 53.678 52.037 0.050 0.000 0.631 148 A CB -0.562 18.459 19.000 0.034 0.000 0.814 148 A HN 0.278 nan 8.150 nan 0.000 0.446 149 A N -1.902 120.967 122.820 0.082 0.000 2.239 149 A HA 0.376 4.687 4.320 -0.015 0.000 0.209 149 A C 1.776 179.373 177.584 0.022 0.000 1.171 149 A CA 1.337 53.423 52.037 0.082 0.000 0.768 149 A CB -1.003 18.087 19.000 0.150 0.000 0.790 149 A HN 1.945 nan 8.150 nan 0.000 0.478 150 G N -2.446 106.371 108.800 0.028 0.000 2.159 150 G HA2 -0.216 3.735 3.960 -0.015 0.000 0.227 150 G HA3 -0.216 3.735 3.960 -0.015 0.000 0.227 150 G C -0.058 174.756 174.900 -0.143 0.000 0.986 150 G CA -0.130 44.927 45.100 -0.073 0.000 0.651 150 G HN 0.302 nan 8.290 nan 0.000 0.523 151 F N 2.122 122.083 119.950 0.018 0.000 2.467 151 F HA 0.393 4.911 4.527 -0.015 0.000 0.362 151 F C 1.507 177.347 175.800 0.066 0.000 1.090 151 F CA 0.226 58.249 58.000 0.039 0.000 1.202 151 F CB 1.049 40.065 39.000 0.027 0.000 1.113 151 F HN 0.200 nan 8.300 nan 0.000 0.541 152 D N 1.218 121.749 120.400 0.218 0.000 2.398 152 D HA 0.078 4.710 4.640 -0.015 0.000 0.210 152 D C -0.287 176.156 176.300 0.238 0.000 1.094 152 D CA 0.481 54.608 54.000 0.213 0.000 0.839 152 D CB 0.282 41.202 40.800 0.200 0.000 0.963 152 D HN 0.174 nan 8.370 nan 0.000 0.506 153 V N 1.855 121.901 119.914 0.220 0.000 2.577 153 V HA 0.338 4.450 4.120 -0.015 0.000 0.303 153 V C -0.835 175.354 176.094 0.159 0.000 1.042 153 V CA -0.813 61.590 62.300 0.170 0.000 0.872 153 V CB 2.381 34.189 31.823 -0.026 0.000 0.998 153 V HN 0.043 nan 8.190 nan 0.000 0.423 154 I N 5.933 126.596 120.570 0.155 0.000 2.410 154 I HA 0.471 4.632 4.170 -0.015 0.000 0.286 154 I C -0.480 175.688 176.117 0.086 0.000 1.009 154 I CA -0.414 60.944 61.300 0.097 0.000 1.111 154 I CB 1.711 39.763 38.000 0.086 0.000 1.262 154 I HN 0.396 nan 8.210 nan 0.000 0.443 155 L N 6.897 128.147 121.223 0.045 0.000 2.282 155 L HA 0.592 4.923 4.340 -0.015 0.000 0.288 155 L C -0.265 176.615 176.870 0.018 0.000 1.033 155 L CA -0.460 54.401 54.840 0.036 0.000 0.807 155 L CB 1.617 43.682 42.059 0.010 0.000 1.209 155 L HN 0.401 nan 8.230 nan 0.000 0.423 156 I N 3.007 123.592 120.570 0.026 0.000 2.411 156 I HA 0.293 4.454 4.170 -0.015 0.000 0.284 156 I C -0.117 176.010 176.117 0.016 0.000 1.012 156 I CA -0.369 60.943 61.300 0.020 0.000 1.119 156 I CB 2.027 40.047 38.000 0.034 0.000 1.261 156 I HN 0.655 nan 8.210 nan 0.000 0.448 157 E N 5.060 125.260 120.200 -0.000 0.000 2.216 157 E HA 0.338 4.680 4.350 -0.015 0.000 0.279 157 E C -0.139 176.466 176.600 0.008 0.000 0.997 157 E CA -0.493 55.901 56.400 -0.011 0.000 0.817 157 E CB 1.439 31.125 29.700 -0.022 0.000 1.096 157 E HN 0.677 nan 8.360 nan 0.000 0.393 158 T N -0.991 113.574 114.554 0.018 0.000 2.770 158 T HA 0.333 4.675 4.350 -0.015 0.000 0.281 158 T C 0.725 175.432 174.700 0.012 0.000 0.981 158 T CA -0.225 61.896 62.100 0.036 0.000 0.955 158 T CB 1.036 69.946 68.868 0.070 0.000 1.060 158 T HN 0.318 nan 8.240 nan 0.000 0.531 159 V N -0.237 119.685 119.914 0.013 0.000 2.843 159 V HA 0.670 4.781 4.120 -0.015 0.000 0.366 159 V C 1.314 177.412 176.094 0.007 0.000 1.283 159 V CA 0.064 62.366 62.300 0.003 0.000 1.303 159 V CB -1.129 30.693 31.823 -0.001 0.000 1.418 159 V HN 1.597 nan 8.190 nan 0.000 0.598 160 G N 0.576 109.383 108.800 0.013 0.000 2.556 160 G HA2 0.018 3.969 3.960 -0.015 0.000 0.283 160 G HA3 0.018 3.969 3.960 -0.015 0.000 0.283 160 G C 0.529 175.446 174.900 0.028 0.000 1.177 160 G CA 1.078 46.189 45.100 0.019 0.000 0.978 160 G HN 2.074 nan 8.290 nan 0.000 0.554 161 V N 0.061 119.987 119.914 0.020 0.000 2.567 161 V HA 0.880 4.991 4.120 -0.015 0.000 0.289 161 V C 0.847 176.948 176.094 0.012 0.000 1.049 161 V CA 1.202 63.514 62.300 0.020 0.000 0.969 161 V CB 0.941 32.773 31.823 0.016 0.000 0.995 161 V HN 2.426 nan 8.190 nan 0.000 0.471 162 G N 2.938 111.745 108.800 0.012 0.000 3.255 162 G HA2 0.261 4.212 3.960 -0.015 0.000 0.161 162 G HA3 0.261 4.212 3.960 -0.015 0.000 0.161 162 G C -0.219 174.684 174.900 0.004 0.000 1.173 162 G CA -0.252 44.849 45.100 0.002 0.000 1.106 162 G HN 0.523 nan 8.290 nan 0.000 0.650 163 Q N 1.079 120.879 119.800 0.000 0.000 2.239 163 Q HA 0.228 4.559 4.340 -0.015 0.000 0.219 163 Q C 1.874 177.875 176.000 0.001 0.000 0.901 163 Q CA 0.110 55.914 55.803 0.001 0.000 0.949 163 Q CB 0.568 29.307 28.738 0.001 0.000 1.038 163 Q HN 0.409 nan 8.270 nan 0.000 0.458 164 S N 0.738 116.444 115.700 0.010 0.000 2.382 164 S HA -0.187 4.274 4.470 -0.015 0.000 0.228 164 S C 1.307 175.925 174.600 0.030 0.000 1.027 164 S CA 1.453 59.663 58.200 0.017 0.000 0.991 164 S CB 0.397 63.612 63.200 0.025 0.000 0.823 164 S HN 0.395 nan 8.310 nan 0.000 0.469 165 E N 0.549 120.779 120.200 0.050 0.000 2.077 165 E HA -0.073 4.268 4.350 -0.015 0.000 0.193 165 E C 2.126 178.645 176.600 -0.135 0.000 0.989 165 E CA 1.314 57.765 56.400 0.085 0.000 0.800 165 E CB -0.430 29.359 29.700 0.148 0.000 0.746 165 E HN 0.349 nan 8.360 nan 0.000 0.452 166 V N 1.057 120.901 119.914 -0.117 0.000 2.343 166 V HA -0.269 3.842 4.120 -0.015 0.000 0.247 166 V C 2.213 178.215 176.094 -0.154 0.000 1.051 166 V CA 1.768 63.969 62.300 -0.164 0.000 1.036 166 V CB -0.830 30.946 31.823 -0.079 0.000 0.654 166 V HN 0.370 nan 8.190 nan 0.000 0.451 167 A N -0.093 122.674 122.820 -0.088 0.000 1.883 167 A HA -0.176 4.136 4.320 -0.015 0.000 0.217 167 A C 2.390 179.903 177.584 -0.118 0.000 1.186 167 A CA 2.249 54.235 52.037 -0.085 0.000 0.624 167 A CB -0.753 18.216 19.000 -0.052 0.000 0.822 167 A HN 0.336 nan 8.150 nan 0.000 0.444 168 V N -0.117 119.753 119.914 -0.074 0.000 2.343 168 V HA -0.234 3.878 4.120 -0.015 0.000 0.247 168 V C 3.050 179.094 176.094 -0.083 0.000 1.051 168 V CA 1.889 64.183 62.300 -0.009 0.000 1.036 168 V CB -1.315 30.610 31.823 0.171 0.000 0.654 168 V HN 0.621 nan 8.190 nan 0.000 0.451 169 A N 0.437 123.021 122.820 -0.393 0.000 1.978 169 A HA -0.227 4.084 4.320 -0.015 0.000 0.220 169 A C 1.916 179.355 177.584 -0.241 0.000 1.170 169 A CA 2.043 53.732 52.037 -0.581 0.000 0.636 169 A CB -0.626 17.764 19.000 -1.017 0.000 0.810 169 A HN 0.590 nan 8.150 nan 0.000 0.448 170 N N -0.603 117.982 118.700 -0.192 0.000 2.521 170 N HA 0.013 4.745 4.740 -0.015 0.000 0.188 170 N C 1.260 176.694 175.510 -0.127 0.000 1.146 170 N CA 1.253 54.228 53.050 -0.125 0.000 0.893 170 N CB 0.001 38.435 38.487 -0.088 0.000 0.975 170 N HN 0.856 nan 8.380 nan 0.000 0.451 171 M N -1.866 117.655 119.600 -0.131 0.000 2.347 171 M HA 0.272 4.744 4.480 -0.015 0.000 0.302 171 M C -0.135 176.125 176.300 -0.067 0.000 1.051 171 M CA -0.274 54.945 55.300 -0.135 0.000 0.988 171 M CB 0.550 33.033 32.600 -0.196 0.000 1.475 171 M HN -0.210 nan 8.290 nan 0.000 0.530 172 V N -3.121 116.779 119.914 -0.024 0.000 3.113 172 V HA 0.552 4.663 4.120 -0.015 0.000 0.316 172 V C -0.118 175.988 176.094 0.018 0.000 1.125 172 V CA -0.590 61.734 62.300 0.040 0.000 1.026 172 V CB 1.887 33.790 31.823 0.134 0.000 1.080 172 V HN 0.169 nan 8.190 nan 0.000 0.444 173 D N 0.515 120.955 120.400 0.068 0.000 2.240 173 D HA 0.126 4.757 4.640 -0.015 0.000 0.206 173 D C 0.420 176.845 176.300 0.209 0.000 0.963 173 D CA 1.344 55.356 54.000 0.019 0.000 0.863 173 D CB 0.476 41.294 40.800 0.031 0.000 0.973 173 D HN 0.735 nan 8.370 nan 0.000 0.501 174 T N 0.554 115.263 114.554 0.257 0.000 2.937 174 T HA 0.313 4.654 4.350 -0.015 0.000 0.297 174 T C -1.202 173.580 174.700 0.137 0.000 0.991 174 T CA -0.580 61.621 62.100 0.168 0.000 0.990 174 T CB 1.620 70.580 68.868 0.153 0.000 0.991 174 T HN -0.181 nan 8.240 nan 0.000 0.440 175 F N 4.048 123.960 119.950 -0.063 0.000 2.411 175 F HA 0.679 5.198 4.527 -0.014 0.000 0.352 175 F C -0.760 175.013 175.800 -0.046 0.000 1.123 175 F CA -0.969 57.010 58.000 -0.036 0.000 1.044 175 F CB 0.969 39.960 39.000 -0.016 0.000 1.135 175 F HN 0.274 nan 8.300 nan 0.000 0.461 176 V N 7.428 127.057 119.914 -0.475 0.000 2.409 176 V HA 0.361 4.473 4.120 -0.015 0.000 0.291 176 V C -0.817 175.006 176.094 -0.450 0.000 1.020 176 V CA -0.846 61.259 62.300 -0.325 0.000 0.848 176 V CB 1.469 33.170 31.823 -0.202 0.000 0.990 176 V HN 0.612 nan 8.190 nan 0.000 0.430 177 L N 6.952 128.020 121.223 -0.258 0.000 2.272 177 L HA 0.586 4.917 4.340 -0.015 0.000 0.289 177 L C -0.537 176.265 176.870 -0.113 0.000 1.032 177 L CA 0.202 54.929 54.840 -0.187 0.000 0.810 177 L CB 0.919 42.941 42.059 -0.062 0.000 1.205 177 L HN 0.516 nan 8.230 nan 0.000 0.422 178 L N 4.953 126.112 121.223 -0.107 0.000 2.334 178 L HA 0.685 5.016 4.340 -0.015 0.000 0.277 178 L C 0.460 177.299 176.870 -0.051 0.000 1.075 178 L CA -0.448 54.349 54.840 -0.071 0.000 0.804 178 L CB 1.468 43.486 42.059 -0.068 0.000 1.174 178 L HN 0.791 nan 8.230 nan 0.000 0.438 179 T N -0.172 114.357 114.554 -0.042 0.000 2.838 179 T HA 0.641 4.982 4.350 -0.015 0.000 0.292 179 T C -0.488 174.187 174.700 -0.041 0.000 1.113 179 T CA -0.925 61.154 62.100 -0.034 0.000 1.008 179 T CB 1.264 70.117 68.868 -0.026 0.000 1.259 179 T HN 0.318 nan 8.240 nan 0.000 0.520 180 L N 1.103 122.299 121.223 -0.045 0.000 2.375 180 L HA 0.623 4.955 4.340 -0.015 0.000 0.271 180 L C 1.004 177.831 176.870 -0.072 0.000 1.107 180 L CA -1.121 53.682 54.840 -0.063 0.000 0.806 180 L CB 1.065 43.082 42.059 -0.070 0.000 1.146 180 L HN 0.984 nan 8.230 nan 0.000 0.447 181 A N 3.242 126.008 122.820 -0.091 0.000 3.117 181 A HA 0.308 4.619 4.320 -0.015 0.000 0.255 181 A C -0.052 177.452 177.584 -0.134 0.000 1.583 181 A CA -0.298 51.686 52.037 -0.088 0.000 1.234 181 A CB -0.740 18.220 19.000 -0.067 0.000 1.076 181 A HN 0.494 nan 8.150 nan 0.000 0.653 182 R N 0.843 121.268 120.500 -0.125 0.000 2.513 182 R HA 0.346 4.677 4.340 -0.015 0.000 0.301 182 R C -0.402 175.856 176.300 -0.070 0.000 0.968 182 R CA -0.428 55.589 56.100 -0.138 0.000 0.872 182 R CB 1.111 31.313 30.300 -0.164 0.000 1.177 182 R HN 0.463 nan 8.270 nan 0.000 0.444 183 T N -1.171 113.356 114.554 -0.045 0.000 2.867 183 T HA 0.264 4.605 4.350 -0.015 0.000 0.297 183 T C 1.285 175.972 174.700 -0.022 0.000 0.989 183 T CA 0.465 62.552 62.100 -0.022 0.000 1.159 183 T CB 0.787 69.652 68.868 -0.006 0.000 0.928 183 T HN 0.817 nan 8.240 nan 0.000 0.538 184 G N 2.339 111.129 108.800 -0.017 0.000 2.184 184 G HA2 -0.236 3.715 3.960 -0.015 0.000 0.264 184 G HA3 -0.236 3.715 3.960 -0.015 0.000 0.264 184 G C 0.289 175.178 174.900 -0.018 0.000 0.975 184 G CA 0.282 45.374 45.100 -0.014 0.000 0.642 184 G HN 0.770 nan 8.290 nan 0.000 0.536 185 D N -0.898 119.485 120.400 -0.028 0.000 2.602 185 D HA 0.226 4.857 4.640 -0.015 0.000 0.265 185 D C 1.939 178.218 176.300 -0.035 0.000 1.454 185 D CA 0.026 54.007 54.000 -0.031 0.000 0.795 185 D CB 0.256 41.032 40.800 -0.041 0.000 1.140 185 D HN 0.376 nan 8.370 nan 0.000 0.486 186 Q N -0.177 119.605 119.800 -0.030 0.000 2.124 186 Q HA 0.053 4.384 4.340 -0.015 0.000 0.202 186 Q C 1.578 177.565 176.000 -0.022 0.000 0.977 186 Q CA 1.046 56.831 55.803 -0.031 0.000 0.850 186 Q CB 0.174 28.898 28.738 -0.023 0.000 0.901 186 Q HN 0.302 nan 8.270 nan 0.000 0.429 187 L N 0.643 121.858 121.223 -0.013 0.000 2.685 187 L HA 0.169 4.500 4.340 -0.015 0.000 0.233 187 L C -0.083 176.783 176.870 -0.005 0.000 1.173 187 L CA -0.380 54.457 54.840 -0.005 0.000 0.961 187 L CB -0.088 41.974 42.059 0.005 0.000 1.217 187 L HN 0.187 nan 8.230 nan 0.000 0.478 188 Q N 0.724 120.517 119.800 -0.012 0.000 2.269 188 Q HA 0.105 4.436 4.340 -0.015 0.000 0.300 188 Q C 1.313 177.309 176.000 -0.008 0.000 1.070 188 Q CA 1.070 56.867 55.803 -0.011 0.000 0.957 188 Q CB 0.478 29.205 28.738 -0.018 0.000 1.131 188 Q HN 0.484 nan 8.270 nan 0.000 0.377 189 G N 2.642 111.440 108.800 -0.003 0.000 2.199 189 G HA2 -0.237 3.714 3.960 -0.015 0.000 0.254 189 G HA3 -0.237 3.714 3.960 -0.015 0.000 0.254 189 G C 0.160 175.063 174.900 0.005 0.000 0.982 189 G CA -0.349 44.751 45.100 -0.001 0.000 0.632 189 G HN 0.523 nan 8.290 nan 0.000 0.529 190 I N 1.756 122.330 120.570 0.008 0.000 2.474 190 I HA 0.496 4.657 4.170 -0.015 0.000 0.287 190 I C 1.236 177.365 176.117 0.020 0.000 1.048 190 I CA -0.096 61.214 61.300 0.017 0.000 1.383 190 I CB 0.518 38.531 38.000 0.021 0.000 1.412 190 I HN 0.414 nan 8.210 nan 0.000 0.531 191 K N 7.008 127.424 120.400 0.026 0.000 2.451 191 K HA 0.044 4.355 4.320 -0.015 0.000 0.280 191 K C 0.506 177.122 176.600 0.026 0.000 1.020 191 K CA -0.385 55.917 56.287 0.024 0.000 1.008 191 K CB -0.264 32.252 32.500 0.027 0.000 0.917 191 K HN 0.735 nan 8.250 nan 0.000 0.478 192 K N 0.886 121.298 120.400 0.019 0.000 2.319 192 K HA 0.440 4.751 4.320 -0.015 0.000 0.265 192 K C 1.076 177.688 176.600 0.020 0.000 1.000 192 K CA 0.372 56.670 56.287 0.019 0.000 0.943 192 K CB 0.801 33.308 32.500 0.012 0.000 0.950 192 K HN 1.178 nan 8.250 nan 0.000 0.485 193 G N 0.801 109.614 108.800 0.022 0.000 2.241 193 G HA2 -0.298 3.653 3.960 -0.015 0.000 0.244 193 G HA3 -0.298 3.653 3.960 -0.015 0.000 0.244 193 G C 0.749 175.673 174.900 0.040 0.000 0.998 193 G CA 0.164 45.277 45.100 0.022 0.000 0.621 193 G HN 0.430 nan 8.290 nan 0.000 0.519 194 V N 1.047 120.995 119.914 0.058 0.000 2.515 194 V HA -0.057 4.054 4.120 -0.015 0.000 0.250 194 V C 2.683 178.857 176.094 0.133 0.000 1.058 194 V CA 2.158 64.519 62.300 0.102 0.000 1.064 194 V CB -0.349 31.544 31.823 0.116 0.000 0.675 194 V HN 0.468 nan 8.190 nan 0.000 0.461 195 L N 0.611 121.894 121.223 0.100 0.000 2.081 195 L HA -0.205 4.126 4.340 -0.015 0.000 0.212 195 L C 2.185 179.146 176.870 0.151 0.000 1.080 195 L CA 2.020 56.927 54.840 0.112 0.000 0.754 195 L CB -0.568 41.541 42.059 0.082 0.000 0.893 195 L HN 0.310 nan 8.230 nan 0.000 0.433 196 E N -0.935 119.338 120.200 0.121 0.000 2.427 196 E HA -0.031 4.310 4.350 -0.015 0.000 0.196 196 E C 2.065 178.762 176.600 0.161 0.000 1.028 196 E CA 0.498 56.980 56.400 0.137 0.000 0.864 196 E CB -0.183 29.540 29.700 0.039 0.000 0.813 196 E HN 0.498 nan 8.360 nan 0.000 0.514 197 L N -0.006 121.301 121.223 0.140 0.000 2.313 197 L HA 0.135 4.466 4.340 -0.015 0.000 0.214 197 L C 0.975 178.010 176.870 0.275 0.000 1.119 197 L CA -0.084 54.818 54.840 0.103 0.000 0.809 197 L CB -0.272 41.756 42.059 -0.052 0.000 0.933 197 L HN 0.007 nan 8.230 nan 0.000 0.449 198 A N 0.174 123.188 122.820 0.323 0.000 2.409 198 A HA 0.080 4.391 4.320 -0.015 0.000 0.262 198 A C 0.545 178.243 177.584 0.190 0.000 1.113 198 A CA -0.354 51.863 52.037 0.300 0.000 0.790 198 A CB 0.211 19.318 19.000 0.179 0.000 1.046 198 A HN 0.147 nan 8.150 nan 0.000 0.496 199 D N 1.181 121.655 120.400 0.123 0.000 2.249 199 D HA 0.134 4.765 4.640 -0.015 0.000 0.205 199 D C 0.162 176.527 176.300 0.108 0.000 0.962 199 D CA 1.380 55.391 54.000 0.018 0.000 0.860 199 D CB 0.249 40.801 40.800 -0.414 0.000 0.955 199 D HN 0.565 nan 8.370 nan 0.000 0.505 200 I N 0.491 121.082 120.570 0.034 0.000 2.692 200 I HA 0.183 4.344 4.170 -0.015 0.000 0.293 200 I C -1.052 175.059 176.117 -0.011 0.000 1.200 200 I CA -0.834 60.484 61.300 0.029 0.000 1.036 200 I CB 3.213 41.215 38.000 0.004 0.000 1.258 200 I HN -0.411 nan 8.210 nan 0.000 0.421 201 V N 5.975 125.880 119.914 -0.014 0.000 2.555 201 V HA 0.548 4.660 4.120 -0.015 0.000 0.302 201 V C -0.401 175.675 176.094 -0.029 0.000 1.038 201 V CA -0.719 61.568 62.300 -0.022 0.000 0.887 201 V CB 2.266 34.085 31.823 -0.006 0.000 0.991 201 V HN 0.405 nan 8.190 nan 0.000 0.434 202 V N 4.733 124.625 119.914 -0.037 0.000 2.487 202 V HA 0.425 4.536 4.120 -0.015 0.000 0.298 202 V C -0.215 175.860 176.094 -0.033 0.000 1.028 202 V CA -0.777 61.503 62.300 -0.034 0.000 0.860 202 V CB 2.188 33.987 31.823 -0.039 0.000 0.991 202 V HN 0.756 nan 8.190 nan 0.000 0.427 203 V N 2.047 121.944 119.914 -0.028 0.000 2.368 203 V HA 0.570 4.681 4.120 -0.015 0.000 0.266 203 V C -0.050 176.024 176.094 -0.033 0.000 1.045 203 V CA -0.302 61.979 62.300 -0.031 0.000 0.899 203 V CB 0.875 32.681 31.823 -0.028 0.000 1.006 203 V HN 0.810 nan 8.190 nan 0.000 0.470 204 N N 4.159 122.836 118.700 -0.039 0.000 2.495 204 N HA 0.428 5.159 4.740 -0.015 0.000 0.280 204 N C 0.038 175.522 175.510 -0.044 0.000 1.168 204 N CA -0.429 52.598 53.050 -0.038 0.000 0.978 204 N CB 0.788 39.253 38.487 -0.038 0.000 1.191 204 N HN 0.786 nan 8.380 nan 0.000 0.497 205 K N -0.589 119.787 120.400 -0.040 0.000 3.263 205 K HA -0.138 4.174 4.320 -0.015 0.000 0.277 205 K C -0.939 175.628 176.600 -0.055 0.000 1.207 205 K CA 0.645 56.908 56.287 -0.041 0.000 0.818 205 K CB -2.149 30.331 32.500 -0.035 0.000 1.313 205 K HN 0.506 nan 8.250 nan 0.000 0.512 206 A N 1.823 124.600 122.820 -0.071 0.000 3.048 206 A HA 0.299 4.610 4.320 -0.015 0.000 0.264 206 A C 0.167 177.560 177.584 -0.317 0.000 1.796 206 A CA 0.690 52.659 52.037 -0.113 0.000 1.445 206 A CB -0.478 18.495 19.000 -0.045 0.000 1.074 206 A HN 0.486 nan 8.150 nan 0.000 0.621 207 D N -2.036 118.161 120.400 -0.339 0.000 2.677 207 D HA 0.626 5.257 4.640 -0.015 0.000 0.298 207 D C 0.757 176.884 176.300 -0.287 0.000 1.250 207 D CA 0.047 53.760 54.000 -0.479 0.000 0.888 207 D CB 0.016 40.711 40.800 -0.175 0.000 1.397 207 D HN 0.902 nan 8.370 nan 0.000 0.461 208 G N -0.211 108.494 108.800 -0.159 0.000 2.629 208 G HA2 -0.255 3.696 3.960 -0.015 0.000 0.313 208 G HA3 -0.255 3.696 3.960 -0.015 0.000 0.313 208 G C 1.038 175.863 174.900 -0.125 0.000 1.217 208 G CA 1.967 47.016 45.100 -0.084 0.000 0.994 208 G HN 1.348 nan 8.290 nan 0.000 0.549 209 E N 0.259 120.283 120.200 -0.293 0.000 2.494 209 E HA 0.286 4.627 4.350 -0.015 0.000 0.193 209 E C 1.458 177.765 176.600 -0.488 0.000 1.074 209 E CA 1.524 57.690 56.400 -0.390 0.000 0.867 209 E CB -0.488 28.938 29.700 -0.457 0.000 0.924 209 E HN 0.919 nan 8.360 nan 0.000 0.502 210 H N -1.802 117.230 119.070 -0.063 0.000 2.492 210 H HA 0.344 4.891 4.556 -0.015 0.000 0.264 210 H C 0.919 176.197 175.328 -0.084 0.000 1.150 210 H CA -0.358 55.651 56.048 -0.065 0.000 0.962 210 H CB 0.325 30.043 29.762 -0.073 0.000 1.766 210 H HN 0.483 nan 8.280 nan 0.000 0.589 211 H N 1.029 120.131 119.070 0.054 0.000 2.276 211 H HA -0.110 4.437 4.556 -0.015 0.000 0.301 211 H C 2.538 177.887 175.328 0.035 0.000 1.073 211 H CA 2.385 58.455 56.048 0.036 0.000 1.311 211 H CB 0.427 30.196 29.762 0.012 0.000 1.379 211 H HN 0.461 nan 8.280 nan 0.000 0.494 212 K N 1.171 121.665 120.400 0.157 0.000 2.057 212 K HA -0.142 4.169 4.320 -0.015 0.000 0.206 212 K C 1.988 178.634 176.600 0.076 0.000 1.050 212 K CA 1.695 58.038 56.287 0.092 0.000 0.935 212 K CB -0.690 31.849 32.500 0.064 0.000 0.715 212 K HN 0.550 nan 8.250 nan 0.000 0.439 213 E N -0.096 120.159 120.200 0.092 0.000 2.085 213 E HA -0.157 4.184 4.350 -0.015 0.000 0.194 213 E C 2.258 178.886 176.600 0.046 0.000 0.994 213 E CA 1.164 57.610 56.400 0.078 0.000 0.801 213 E CB -0.249 29.528 29.700 0.128 0.000 0.743 213 E HN 0.546 nan 8.360 nan 0.000 0.453 214 A N 0.743 123.594 122.820 0.051 0.000 1.933 214 A HA -0.223 4.088 4.320 -0.015 0.000 0.218 214 A C 2.442 180.039 177.584 0.021 0.000 1.175 214 A CA 2.367 54.416 52.037 0.021 0.000 0.628 214 A CB -1.098 17.912 19.000 0.015 0.000 0.814 214 A HN 0.385 nan 8.150 nan 0.000 0.444 215 R N -0.088 120.434 120.500 0.036 0.000 2.081 215 R HA 0.081 4.412 4.340 -0.015 0.000 0.235 215 R C 2.136 178.446 176.300 0.015 0.000 1.131 215 R CA 1.625 57.740 56.100 0.026 0.000 0.960 215 R CB -1.510 28.810 30.300 0.033 0.000 0.856 215 R HN 0.584 nan 8.270 nan 0.000 0.436 216 L N 0.047 121.281 121.223 0.018 0.000 2.056 216 L HA -0.051 4.281 4.340 -0.015 0.000 0.207 216 L C 3.201 180.073 176.870 0.004 0.000 1.078 216 L CA 1.241 56.087 54.840 0.011 0.000 0.749 216 L CB -0.527 41.541 42.059 0.016 0.000 0.901 216 L HN 0.503 nan 8.230 nan 0.000 0.433 217 A N 0.077 122.898 122.820 0.000 0.000 1.930 217 A HA -0.133 4.178 4.320 -0.015 0.000 0.217 217 A C 2.539 180.118 177.584 -0.009 0.000 1.175 217 A CA 1.629 53.660 52.037 -0.010 0.000 0.627 217 A CB -0.636 18.350 19.000 -0.022 0.000 0.815 217 A HN 0.390 nan 8.150 nan 0.000 0.443 218 A N -0.424 122.392 122.820 -0.007 0.000 1.902 218 A HA 0.008 4.319 4.320 -0.015 0.000 0.217 218 A C 2.475 180.053 177.584 -0.009 0.000 1.181 218 A CA 2.558 54.589 52.037 -0.009 0.000 0.623 218 A CB -0.898 18.097 19.000 -0.007 0.000 0.818 218 A HN 0.709 nan 8.150 nan 0.000 0.443 219 R N 0.112 120.608 120.500 -0.006 0.000 2.092 219 R HA -0.090 4.241 4.340 -0.015 0.000 0.231 219 R C 1.905 178.202 176.300 -0.005 0.000 1.119 219 R CA 1.785 57.881 56.100 -0.006 0.000 0.970 219 R CB -1.228 29.071 30.300 -0.003 0.000 0.864 219 R HN 0.803 nan 8.270 nan 0.000 0.440 220 E N 0.406 120.605 120.200 -0.003 0.000 2.051 220 E HA -0.071 4.271 4.350 -0.015 0.000 0.192 220 E C 2.183 178.783 176.600 0.001 0.000 0.991 220 E CA 1.284 57.683 56.400 -0.001 0.000 0.799 220 E CB -0.167 29.532 29.700 -0.002 0.000 0.748 220 E HN 0.498 nan 8.360 nan 0.000 0.449 221 L N 0.698 121.921 121.223 -0.000 0.000 2.046 221 L HA -0.188 4.143 4.340 -0.015 0.000 0.208 221 L C 2.551 179.424 176.870 0.006 0.000 1.077 221 L CA 0.840 55.682 54.840 0.005 0.000 0.747 221 L CB -0.240 41.819 42.059 0.000 0.000 0.896 221 L HN 0.064 nan 8.230 nan 0.000 0.432 222 S N -0.173 115.524 115.700 -0.006 0.000 2.370 222 S HA -0.213 4.249 4.470 -0.015 0.000 0.226 222 S C 2.184 176.784 174.600 -0.001 0.000 1.033 222 S CA 1.241 59.433 58.200 -0.014 0.000 1.011 222 S CB -0.339 62.846 63.200 -0.026 0.000 0.852 222 S HN 0.521 nan 8.310 nan 0.000 0.457 223 A N 1.628 124.449 122.820 0.002 0.000 1.883 223 A HA 0.035 4.347 4.320 -0.015 0.000 0.217 223 A C 2.375 179.970 177.584 0.019 0.000 1.186 223 A CA 1.840 53.882 52.037 0.007 0.000 0.624 223 A CB -1.156 17.847 19.000 0.004 0.000 0.822 223 A HN 0.532 nan 8.150 nan 0.000 0.444 224 A N -0.217 122.616 122.820 0.022 0.000 1.902 224 A HA -0.051 4.260 4.320 -0.015 0.000 0.217 224 A C 2.011 179.632 177.584 0.062 0.000 1.181 224 A CA 1.560 53.616 52.037 0.032 0.000 0.623 224 A CB -0.473 18.544 19.000 0.028 0.000 0.818 224 A HN 0.417 nan 8.150 nan 0.000 0.443 225 I N -0.145 120.473 120.570 0.080 0.000 2.286 225 I HA -0.203 3.959 4.170 -0.015 0.000 0.248 225 I C 2.520 178.744 176.117 0.177 0.000 1.115 225 I CA 1.346 62.742 61.300 0.160 0.000 1.392 225 I CB -1.160 36.888 38.000 0.079 0.000 1.065 225 I HN 0.385 nan 8.210 nan 0.000 0.418 226 R N 0.348 120.896 120.500 0.081 0.000 2.096 226 R HA -0.113 4.218 4.340 -0.015 0.000 0.235 226 R C 2.301 178.643 176.300 0.070 0.000 1.127 226 R CA 1.061 57.201 56.100 0.066 0.000 0.968 226 R CB -0.252 30.062 30.300 0.024 0.000 0.861 226 R HN 0.361 nan 8.270 nan 0.000 0.440 227 L N 0.171 121.425 121.223 0.051 0.000 2.109 227 L HA -0.112 4.220 4.340 -0.015 0.000 0.207 227 L C 2.284 179.158 176.870 0.006 0.000 1.086 227 L CA 1.108 55.962 54.840 0.025 0.000 0.760 227 L CB -0.311 41.755 42.059 0.012 0.000 0.910 227 L HN 0.156 nan 8.230 nan 0.000 0.437 228 I N -1.567 119.007 120.570 0.007 0.000 2.546 228 I HA -0.228 3.933 4.170 -0.015 0.000 0.255 228 I C 0.454 176.421 176.117 -0.250 0.000 1.163 228 I CA 1.133 62.357 61.300 -0.126 0.000 1.457 228 I CB 0.153 38.065 38.000 -0.147 0.000 1.092 228 I HN 0.146 nan 8.210 nan 0.000 0.434 229 Y N 0.685 120.988 120.300 0.004 0.000 2.525 229 Y HA 0.261 4.802 4.550 -0.015 0.000 0.365 229 Y C -1.527 174.372 175.900 -0.002 0.000 0.929 229 Y CA -1.797 56.306 58.100 0.006 0.000 1.196 229 Y CB -0.196 38.267 38.460 0.004 0.000 1.232 229 Y HN 0.032 nan 8.280 nan 0.000 0.613 230 P HA -0.123 nan 4.420 nan 0.000 0.218 230 P C 0.510 177.841 177.300 0.051 0.000 1.149 230 P CA 1.388 64.521 63.100 0.056 0.000 0.817 230 P CB 0.401 32.117 31.700 0.026 0.000 0.785 231 R N -0.486 120.048 120.500 0.057 0.000 2.629 231 R HA 0.184 4.515 4.340 -0.015 0.000 0.386 231 R C 0.215 176.553 176.300 0.063 0.000 1.071 231 R CA -0.411 55.718 56.100 0.047 0.000 1.104 231 R CB 0.209 30.529 30.300 0.033 0.000 1.370 231 R HN 0.053 nan 8.270 nan 0.000 0.574 232 E N 1.013 121.270 120.200 0.096 0.000 2.415 232 E HA 0.015 4.356 4.350 -0.015 0.000 0.263 232 E C 0.451 177.090 176.600 0.064 0.000 0.995 232 E CA 0.228 56.695 56.400 0.111 0.000 0.915 232 E CB 1.098 30.896 29.700 0.162 0.000 0.951 232 E HN 0.283 nan 8.360 nan 0.000 0.449 233 A N 4.415 127.276 122.820 0.068 0.000 2.167 233 A HA 0.102 4.413 4.320 -0.015 0.000 0.208 233 A C 1.420 179.043 177.584 0.066 0.000 1.198 233 A CA 0.168 52.235 52.037 0.051 0.000 0.863 233 A CB -0.125 18.903 19.000 0.045 0.000 0.904 233 A HN 0.606 nan 8.150 nan 0.000 0.484 234 L N -2.049 119.237 121.223 0.105 0.000 2.130 234 L HA 0.273 4.604 4.340 -0.015 0.000 0.200 234 L C 0.465 177.490 176.870 0.260 0.000 1.075 234 L CA 1.201 56.133 54.840 0.154 0.000 0.768 234 L CB 0.123 42.275 42.059 0.153 0.000 0.933 234 L HN 0.546 nan 8.230 nan 0.000 0.451 235 W N 1.824 123.135 121.300 0.019 0.000 2.740 235 W HA 0.304 4.956 4.660 -0.014 0.000 0.316 235 W C -0.919 175.547 176.519 -0.089 0.000 1.020 235 W CA -0.793 56.555 57.345 0.005 0.000 1.278 235 W CB 0.740 30.250 29.460 0.085 0.000 1.224 235 W HN -0.069 nan 8.180 nan 0.000 0.393 236 R N 6.444 126.635 120.500 -0.514 0.000 2.221 236 R HA 0.354 4.685 4.340 -0.015 0.000 0.327 236 R C -2.177 173.648 176.300 -0.791 0.000 1.033 236 R CA -1.423 54.330 56.100 -0.579 0.000 0.887 236 R CB 1.028 31.115 30.300 -0.354 0.000 1.057 236 R HN 0.050 nan 8.270 nan 0.000 0.455 237 P HA 0.042 nan 4.420 nan 0.000 0.260 237 P C -2.435 174.673 177.300 -0.321 0.000 1.185 237 P CA -0.666 62.214 63.100 -0.367 0.000 0.763 237 P CB 0.312 31.891 31.700 -0.202 0.000 0.776 238 P HA 0.079 nan 4.420 nan 0.000 0.272 238 P C -0.695 176.545 177.300 -0.100 0.000 1.223 238 P CA 0.111 63.088 63.100 -0.205 0.000 0.784 238 P CB 0.574 32.176 31.700 -0.163 0.000 0.923 239 V N 3.702 123.568 119.914 -0.079 0.000 2.409 239 V HA 0.366 4.478 4.120 -0.015 0.000 0.291 239 V C 0.227 176.300 176.094 -0.035 0.000 1.020 239 V CA -0.413 61.860 62.300 -0.046 0.000 0.848 239 V CB 0.944 32.745 31.823 -0.036 0.000 0.990 239 V HN 0.350 nan 8.190 nan 0.000 0.430 240 L N 3.853 125.061 121.223 -0.025 0.000 2.322 240 L HA 0.777 5.109 4.340 -0.015 0.000 0.269 240 L C 0.463 177.325 176.870 -0.013 0.000 1.012 240 L CA -0.568 54.262 54.840 -0.017 0.000 0.815 240 L CB 2.452 44.503 42.059 -0.013 0.000 1.295 240 L HN 0.735 nan 8.230 nan 0.000 0.438 241 T N -0.632 113.919 114.554 -0.005 0.000 2.945 241 T HA 0.757 5.098 4.350 -0.015 0.000 0.286 241 T C -0.533 174.167 174.700 -0.001 0.000 1.025 241 T CA -0.724 61.375 62.100 -0.002 0.000 1.039 241 T CB 2.165 71.040 68.868 0.012 0.000 1.068 241 T HN 0.674 nan 8.240 nan 0.000 0.497 242 M N 1.417 121.013 119.600 -0.006 0.000 2.471 242 M HA 0.537 5.008 4.480 -0.015 0.000 0.284 242 M C -1.677 174.616 176.300 -0.013 0.000 1.203 242 M CA -0.545 54.750 55.300 -0.008 0.000 0.915 242 M CB 2.303 34.892 32.600 -0.018 0.000 1.734 242 M HN 0.735 nan 8.290 nan 0.000 0.485 243 S N 2.463 118.160 115.700 -0.006 0.000 2.399 243 S HA 0.636 5.097 4.470 -0.015 0.000 0.215 243 S C 0.556 175.150 174.600 -0.009 0.000 1.456 243 S CA 0.173 58.366 58.200 -0.012 0.000 1.199 243 S CB 0.798 63.994 63.200 -0.007 0.000 1.063 243 S HN 0.829 nan 8.310 nan 0.000 0.476 244 A N 3.781 126.591 122.820 -0.016 0.000 1.933 244 A HA -0.017 4.294 4.320 -0.015 0.000 0.218 244 A C 2.102 179.680 177.584 -0.011 0.000 1.175 244 A CA 1.806 53.833 52.037 -0.016 0.000 0.628 244 A CB -0.808 18.180 19.000 -0.022 0.000 0.814 244 A HN 0.843 nan 8.150 nan 0.000 0.444 245 V N 0.212 120.120 119.914 -0.009 0.000 2.515 245 V HA -0.168 3.943 4.120 -0.015 0.000 0.250 245 V C 1.796 177.891 176.094 0.002 0.000 1.058 245 V CA 2.332 64.629 62.300 -0.005 0.000 1.064 245 V CB -0.483 31.336 31.823 -0.006 0.000 0.675 245 V HN 0.715 nan 8.190 nan 0.000 0.461 246 E N -0.369 119.834 120.200 0.006 0.000 2.463 246 E HA 0.259 4.600 4.350 -0.015 0.000 0.193 246 E C 1.336 177.946 176.600 0.017 0.000 1.041 246 E CA 0.480 56.889 56.400 0.016 0.000 0.879 246 E CB 0.239 29.957 29.700 0.030 0.000 0.997 246 E HN 0.648 nan 8.360 nan 0.000 0.478 247 G N 2.525 111.330 108.800 0.009 0.000 2.198 247 G HA2 -0.343 3.608 3.960 -0.015 0.000 0.260 247 G HA3 -0.343 3.608 3.960 -0.015 0.000 0.260 247 G C -0.071 174.835 174.900 0.009 0.000 1.025 247 G CA 0.182 45.287 45.100 0.008 0.000 0.769 247 G HN 0.168 nan 8.290 nan 0.000 0.507 248 R N -0.935 119.571 120.500 0.011 0.000 2.393 248 R HA 0.564 4.896 4.340 -0.015 0.000 0.310 248 R C 1.233 177.535 176.300 0.003 0.000 0.968 248 R CA 0.127 56.237 56.100 0.017 0.000 0.867 248 R CB 1.586 31.910 30.300 0.040 0.000 1.124 248 R HN 1.081 nan 8.270 nan 0.000 0.450 249 G N 1.751 110.548 108.800 -0.005 0.000 2.194 249 G HA2 -0.225 3.727 3.960 -0.015 0.000 0.236 249 G HA3 -0.225 3.727 3.960 -0.015 0.000 0.236 249 G C 0.643 175.520 174.900 -0.039 0.000 0.987 249 G CA -0.398 44.694 45.100 -0.012 0.000 0.635 249 G HN 0.424 nan 8.290 nan 0.000 0.520 250 L N 0.779 121.958 121.223 -0.073 0.000 2.056 250 L HA 0.176 4.507 4.340 -0.015 0.000 0.207 250 L C 3.297 180.014 176.870 -0.255 0.000 1.078 250 L CA 2.741 57.501 54.840 -0.134 0.000 0.749 250 L CB -1.771 40.192 42.059 -0.159 0.000 0.901 250 L HN 0.519 nan 8.230 nan 0.000 0.433 251 A N -0.053 122.578 122.820 -0.314 0.000 1.902 251 A HA -0.205 4.107 4.320 -0.015 0.000 0.217 251 A C 2.188 179.747 177.584 -0.042 0.000 1.181 251 A CA 1.636 53.475 52.037 -0.330 0.000 0.623 251 A CB -0.388 18.603 19.000 -0.015 0.000 0.818 251 A HN 0.365 nan 8.150 nan 0.000 0.443 252 E N -0.554 119.639 120.200 -0.012 0.000 2.106 252 E HA -0.103 4.238 4.350 -0.015 0.000 0.192 252 E C 1.852 178.468 176.600 0.027 0.000 0.984 252 E CA 0.906 57.322 56.400 0.025 0.000 0.806 252 E CB -0.367 29.343 29.700 0.017 0.000 0.750 252 E HN 0.532 nan 8.360 nan 0.000 0.458 253 L N 0.039 121.270 121.223 0.013 0.000 2.012 253 L HA -0.140 4.191 4.340 -0.015 0.000 0.210 253 L C 1.985 178.887 176.870 0.053 0.000 1.073 253 L CA 1.848 56.703 54.840 0.024 0.000 0.748 253 L CB -0.607 41.465 42.059 0.021 0.000 0.891 253 L HN 0.349 nan 8.230 nan 0.000 0.431 254 W N 0.459 121.703 121.300 -0.092 0.000 2.388 254 W HA -0.206 4.445 4.660 -0.015 0.000 0.294 254 W C 1.902 178.436 176.519 0.025 0.000 1.212 254 W CA 1.504 58.823 57.345 -0.044 0.000 1.271 254 W CB -0.036 29.420 29.460 -0.006 0.000 1.126 254 W HN 0.313 nan 8.180 nan 0.000 0.535 255 D N -0.406 120.048 120.400 0.090 0.000 2.149 255 D HA -0.165 4.466 4.640 -0.015 0.000 0.198 255 D C 2.055 178.340 176.300 -0.025 0.000 0.990 255 D CA 2.109 56.137 54.000 0.047 0.000 0.839 255 D CB -0.680 40.171 40.800 0.086 0.000 0.948 255 D HN 0.086 nan 8.370 nan 0.000 0.460 256 T N 0.213 114.757 114.554 -0.017 0.000 2.857 256 T HA -0.046 4.295 4.350 -0.015 0.000 0.266 256 T C 2.264 176.954 174.700 -0.018 0.000 1.048 256 T CA 0.421 62.551 62.100 0.051 0.000 1.139 256 T CB -0.164 68.747 68.868 0.073 0.000 0.874 256 T HN -0.029 nan 8.240 nan 0.000 0.455 257 V N 1.792 121.554 119.914 -0.253 0.000 2.295 257 V HA -0.197 3.915 4.120 -0.015 0.000 0.246 257 V C 2.502 178.382 176.094 -0.357 0.000 1.049 257 V CA 1.707 63.734 62.300 -0.455 0.000 1.024 257 V CB -0.593 30.600 31.823 -1.049 0.000 0.648 257 V HN 0.551 nan 8.190 nan 0.000 0.447 258 E N -0.217 119.701 120.200 -0.469 0.000 2.085 258 E HA -0.264 4.078 4.350 -0.015 0.000 0.194 258 E C 2.464 179.008 176.600 -0.093 0.000 0.994 258 E CA 1.282 57.552 56.400 -0.216 0.000 0.801 258 E CB -0.246 29.370 29.700 -0.140 0.000 0.743 258 E HN 0.427 nan 8.360 nan 0.000 0.453 259 R N 0.415 120.898 120.500 -0.029 0.000 2.091 259 R HA -0.192 4.140 4.340 -0.015 0.000 0.238 259 R C 2.431 178.717 176.300 -0.024 0.000 1.136 259 R CA 1.463 57.602 56.100 0.066 0.000 0.959 259 R CB -0.333 30.095 30.300 0.212 0.000 0.856 259 R HN 0.380 nan 8.270 nan 0.000 0.437 260 H N 0.274 119.133 119.070 -0.353 0.000 2.319 260 H HA -0.186 4.361 4.556 -0.015 0.000 0.299 260 H C 2.225 177.267 175.328 -0.477 0.000 1.092 260 H CA 2.109 57.595 56.048 -0.936 0.000 1.302 260 H CB 0.037 29.257 29.762 -0.903 0.000 1.373 260 H HN 0.176 nan 8.280 nan 0.000 0.497 261 R N 0.416 120.721 120.500 -0.325 0.000 2.081 261 R HA -0.146 4.185 4.340 -0.015 0.000 0.235 261 R C 2.566 178.644 176.300 -0.369 0.000 1.131 261 R CA 1.857 57.716 56.100 -0.402 0.000 0.960 261 R CB 0.007 30.023 30.300 -0.474 0.000 0.856 261 R HN 0.514 nan 8.270 nan 0.000 0.436 262 Q N -0.441 119.214 119.800 -0.241 0.000 2.050 262 Q HA -0.128 4.204 4.340 -0.015 0.000 0.202 262 Q C 2.197 178.124 176.000 -0.123 0.000 0.980 262 Q CA 1.765 57.472 55.803 -0.161 0.000 0.840 262 Q CB 0.003 28.695 28.738 -0.078 0.000 0.898 262 Q HN 0.183 nan 8.270 nan 0.000 0.424 263 V N 0.735 120.592 119.914 -0.097 0.000 2.255 263 V HA -0.262 3.849 4.120 -0.015 0.000 0.247 263 V C 2.106 178.151 176.094 -0.081 0.000 1.051 263 V CA 1.519 63.804 62.300 -0.024 0.000 1.018 263 V CB -0.439 31.465 31.823 0.135 0.000 0.641 263 V HN 0.271 nan 8.190 nan 0.000 0.445 264 L N -0.251 120.847 121.223 -0.208 0.000 2.083 264 L HA -0.133 4.198 4.340 -0.015 0.000 0.209 264 L C 2.569 179.404 176.870 -0.059 0.000 1.083 264 L CA 2.186 56.934 54.840 -0.154 0.000 0.752 264 L CB -1.223 40.678 42.059 -0.264 0.000 0.899 264 L HN 0.337 nan 8.230 nan 0.000 0.433 265 T N -1.019 113.468 114.554 -0.112 0.000 2.777 265 T HA -0.114 4.227 4.350 -0.015 0.000 0.266 265 T C 1.839 176.504 174.700 -0.059 0.000 1.040 265 T CA 1.266 63.305 62.100 -0.102 0.000 1.141 265 T CB -0.683 68.034 68.868 -0.253 0.000 0.868 265 T HN 0.509 nan 8.240 nan 0.000 0.444 266 G N 0.851 109.616 108.800 -0.058 0.000 2.448 266 G HA2 -0.002 3.950 3.960 -0.015 0.000 0.219 266 G HA3 -0.002 3.950 3.960 -0.015 0.000 0.219 266 G C 1.463 176.358 174.900 -0.008 0.000 1.127 266 G CA 0.775 45.858 45.100 -0.028 0.000 0.766 266 G HN 0.597 nan 8.290 nan 0.000 0.552 267 A N -0.448 122.370 122.820 -0.004 0.000 2.275 267 A HA 0.495 4.806 4.320 -0.015 0.000 0.212 267 A C 2.017 179.608 177.584 0.012 0.000 1.201 267 A CA 1.146 53.189 52.037 0.010 0.000 0.843 267 A CB -0.348 18.664 19.000 0.020 0.000 0.873 267 A HN 1.488 nan 8.150 nan 0.000 0.492 268 G N -0.364 108.443 108.800 0.011 0.000 2.166 268 G HA2 -0.273 3.678 3.960 -0.015 0.000 0.260 268 G HA3 -0.273 3.678 3.960 -0.015 0.000 0.260 268 G C 0.597 175.514 174.900 0.029 0.000 0.986 268 G CA 0.687 45.800 45.100 0.022 0.000 0.683 268 G HN 0.509 nan 8.290 nan 0.000 0.527 269 E N -1.108 119.107 120.200 0.025 0.000 2.400 269 E HA 0.151 4.493 4.350 -0.015 0.000 0.195 269 E C 1.860 178.458 176.600 -0.003 0.000 1.012 269 E CA 0.123 56.527 56.400 0.007 0.000 0.875 269 E CB -0.002 29.695 29.700 -0.005 0.000 0.859 269 E HN 0.595 nan 8.360 nan 0.000 0.498 270 F N 2.864 122.738 119.950 -0.127 0.000 2.075 270 F HA -0.188 4.331 4.527 -0.014 0.000 0.297 270 F C 1.673 177.415 175.800 -0.097 0.000 1.113 270 F CA 1.675 59.583 58.000 -0.154 0.000 1.218 270 F CB 0.149 39.033 39.000 -0.194 0.000 0.984 270 F HN -0.135 nan 8.300 nan 0.000 0.472 271 D N 0.447 120.916 120.400 0.115 0.000 2.144 271 D HA -0.124 4.508 4.640 -0.015 0.000 0.200 271 D C 2.375 178.650 176.300 -0.042 0.000 0.978 271 D CA 1.357 55.374 54.000 0.028 0.000 0.833 271 D CB -0.761 40.090 40.800 0.086 0.000 0.961 271 D HN 0.373 nan 8.370 nan 0.000 0.470 272 A N 1.101 123.906 122.820 -0.025 0.000 1.892 272 A HA -0.262 4.049 4.320 -0.015 0.000 0.218 272 A C 2.187 179.738 177.584 -0.054 0.000 1.188 272 A CA 2.087 54.108 52.037 -0.026 0.000 0.631 272 A CB -0.649 18.345 19.000 -0.009 0.000 0.822 272 A HN 0.193 nan 8.150 nan 0.000 0.447 273 R N -0.517 119.923 120.500 -0.100 0.000 2.096 273 R HA -0.177 4.154 4.340 -0.015 0.000 0.240 273 R C 2.429 178.650 176.300 -0.132 0.000 1.139 273 R CA 1.904 57.932 56.100 -0.121 0.000 0.952 273 R CB -0.295 29.901 30.300 -0.174 0.000 0.854 273 R HN 0.548 nan 8.270 nan 0.000 0.436 274 R N -0.166 120.217 120.500 -0.195 0.000 2.073 274 R HA -0.096 4.235 4.340 -0.015 0.000 0.234 274 R C 2.554 178.817 176.300 -0.062 0.000 1.134 274 R CA 2.011 58.018 56.100 -0.154 0.000 0.952 274 R CB -0.269 29.916 30.300 -0.192 0.000 0.850 274 R HN 0.286 nan 8.270 nan 0.000 0.433 275 R N 0.477 120.953 120.500 -0.040 0.000 2.083 275 R HA -0.137 4.194 4.340 -0.015 0.000 0.237 275 R C 1.797 178.111 176.300 0.023 0.000 1.137 275 R CA 1.688 57.789 56.100 0.002 0.000 0.951 275 R CB -0.315 29.991 30.300 0.009 0.000 0.851 275 R HN 0.238 nan 8.270 nan 0.000 0.434 276 D N 0.605 121.012 120.400 0.012 0.000 2.144 276 D HA -0.157 4.474 4.640 -0.015 0.000 0.199 276 D C 1.978 178.309 176.300 0.052 0.000 0.984 276 D CA 1.207 55.227 54.000 0.032 0.000 0.834 276 D CB -0.178 40.631 40.800 0.015 0.000 0.955 276 D HN 0.320 nan 8.370 nan 0.000 0.465 277 Q N -0.134 119.681 119.800 0.025 0.000 2.124 277 Q HA -0.126 4.205 4.340 -0.015 0.000 0.202 277 Q C 2.171 178.236 176.000 0.108 0.000 0.977 277 Q CA 0.850 56.677 55.803 0.040 0.000 0.850 277 Q CB 0.042 28.766 28.738 -0.023 0.000 0.901 277 Q HN 0.310 nan 8.270 nan 0.000 0.429 278 Q N -0.123 119.732 119.800 0.092 0.000 2.079 278 Q HA -0.098 4.233 4.340 -0.015 0.000 0.200 278 Q C 2.313 178.413 176.000 0.167 0.000 0.974 278 Q CA 1.061 56.948 55.803 0.139 0.000 0.840 278 Q CB -0.180 28.608 28.738 0.084 0.000 0.898 278 Q HN 0.261 nan 8.270 nan 0.000 0.430 279 V N 1.967 121.966 119.914 0.141 0.000 2.343 279 V HA -0.236 3.875 4.120 -0.015 0.000 0.247 279 V C 1.691 177.946 176.094 0.268 0.000 1.051 279 V CA 1.984 64.394 62.300 0.182 0.000 1.036 279 V CB -0.531 31.402 31.823 0.184 0.000 0.654 279 V HN 0.238 nan 8.190 nan 0.000 0.451 280 D N -1.138 119.404 120.400 0.236 0.000 2.117 280 D HA -0.207 4.424 4.640 -0.015 0.000 0.197 280 D C 1.802 178.280 176.300 0.296 0.000 0.987 280 D CA 1.263 55.415 54.000 0.253 0.000 0.829 280 D CB -0.310 40.597 40.800 0.179 0.000 0.961 280 D HN 0.655 nan 8.370 nan 0.000 0.460 281 W N 1.615 122.952 121.300 0.062 0.000 2.381 281 W HA -0.209 4.447 4.660 -0.007 0.000 0.301 281 W C 1.612 178.135 176.519 0.007 0.000 1.205 281 W CA 1.418 58.781 57.345 0.030 0.000 1.285 281 W CB -0.061 29.402 29.460 0.005 0.000 1.133 281 W HN -0.054 nan 8.180 nan 0.000 0.521 282 T N 0.566 115.067 114.554 -0.088 0.000 2.635 282 T HA -0.307 4.035 4.350 -0.015 0.000 0.267 282 T C 1.124 175.572 174.700 -0.419 0.000 1.040 282 T CA 2.541 64.442 62.100 -0.331 0.000 1.156 282 T CB -1.071 67.607 68.868 -0.317 0.000 0.863 282 T HN 0.328 nan 8.240 nan 0.000 0.430 283 W N 1.163 122.401 121.300 -0.103 0.000 2.425 283 W HA -0.018 4.639 4.660 -0.005 0.000 0.277 283 W C 2.762 179.205 176.519 -0.127 0.000 1.231 283 W CA 0.364 57.655 57.345 -0.090 0.000 1.248 283 W CB -0.351 29.086 29.460 -0.038 0.000 1.117 283 W HN 0.225 nan 8.180 nan 0.000 0.568 284 Q N 0.669 120.472 119.800 0.005 0.000 2.119 284 Q HA -0.136 4.195 4.340 -0.015 0.000 0.201 284 Q C 1.968 177.786 176.000 -0.302 0.000 0.972 284 Q CA 1.637 57.380 55.803 -0.100 0.000 0.847 284 Q CB -0.622 28.091 28.738 -0.041 0.000 0.903 284 Q HN 0.341 nan 8.270 nan 0.000 0.433 285 L N -0.965 119.920 121.223 -0.563 0.000 2.046 285 L HA -0.175 4.157 4.340 -0.015 0.000 0.208 285 L C 2.233 178.939 176.870 -0.273 0.000 1.077 285 L CA 0.889 55.419 54.840 -0.518 0.000 0.747 285 L CB -0.530 41.150 42.059 -0.632 0.000 0.896 285 L HN 0.111 nan 8.230 nan 0.000 0.432 286 V N -0.257 119.518 119.914 -0.231 0.000 2.295 286 V HA -0.292 3.819 4.120 -0.015 0.000 0.246 286 V C 2.638 178.720 176.094 -0.021 0.000 1.049 286 V CA 1.740 63.965 62.300 -0.125 0.000 1.024 286 V CB -0.609 31.140 31.823 -0.123 0.000 0.648 286 V HN 0.400 nan 8.190 nan 0.000 0.447 287 R N -0.035 120.478 120.500 0.022 0.000 2.080 287 R HA -0.185 4.146 4.340 -0.015 0.000 0.236 287 R C 2.134 178.451 176.300 0.028 0.000 1.137 287 R CA 1.991 58.121 56.100 0.050 0.000 0.943 287 R CB -0.536 29.806 30.300 0.069 0.000 0.846 287 R HN 0.529 nan 8.270 nan 0.000 0.431 288 D N 0.249 120.640 120.400 -0.015 0.000 2.144 288 D HA -0.110 4.521 4.640 -0.015 0.000 0.199 288 D C 1.763 178.066 176.300 0.005 0.000 0.984 288 D CA 1.354 55.353 54.000 -0.002 0.000 0.834 288 D CB -0.253 40.521 40.800 -0.043 0.000 0.955 288 D HN 0.264 nan 8.370 nan 0.000 0.465 289 A N 0.564 123.367 122.820 -0.028 0.000 1.877 289 A HA -0.140 4.171 4.320 -0.015 0.000 0.216 289 A C 2.498 180.088 177.584 0.010 0.000 1.186 289 A CA 1.304 53.330 52.037 -0.019 0.000 0.620 289 A CB -0.662 18.309 19.000 -0.047 0.000 0.822 289 A HN 0.166 nan 8.150 nan 0.000 0.443 290 V N -0.139 119.786 119.914 0.018 0.000 2.591 290 V HA -0.125 3.987 4.120 -0.015 0.000 0.249 290 V C 2.432 178.555 176.094 0.047 0.000 1.053 290 V CA 1.512 63.829 62.300 0.028 0.000 1.068 290 V CB -0.540 31.301 31.823 0.030 0.000 0.689 290 V HN 0.536 nan 8.190 nan 0.000 0.462 291 L N -0.064 121.206 121.223 0.078 0.000 2.179 291 L HA -0.101 4.230 4.340 -0.015 0.000 0.208 291 L C 2.281 179.264 176.870 0.189 0.000 1.096 291 L CA 1.669 56.589 54.840 0.134 0.000 0.779 291 L CB -0.654 41.530 42.059 0.208 0.000 0.922 291 L HN 0.373 nan 8.230 nan 0.000 0.443 292 D N 0.625 121.118 120.400 0.155 0.000 2.149 292 D HA -0.237 4.394 4.640 -0.015 0.000 0.198 292 D C 2.412 178.786 176.300 0.123 0.000 0.990 292 D CA 1.833 55.926 54.000 0.154 0.000 0.839 292 D CB 0.230 41.081 40.800 0.085 0.000 0.948 292 D HN 0.146 nan 8.370 nan 0.000 0.460 293 R N -0.005 120.539 120.500 0.074 0.000 2.105 293 R HA -0.086 4.245 4.340 -0.015 0.000 0.239 293 R C 2.486 178.810 176.300 0.040 0.000 1.135 293 R CA 1.854 57.982 56.100 0.046 0.000 0.967 293 R CB -1.489 28.825 30.300 0.023 0.000 0.861 293 R HN 0.250 nan 8.270 nan 0.000 0.442 294 V N -1.842 118.089 119.914 0.028 0.000 2.300 294 V HA -0.132 3.980 4.120 -0.015 0.000 0.241 294 V C 2.176 178.263 176.094 -0.012 0.000 1.034 294 V CA 1.207 63.480 62.300 -0.044 0.000 1.021 294 V CB -0.713 31.026 31.823 -0.140 0.000 0.662 294 V HN 0.721 nan 8.190 nan 0.000 0.458 295 W N 0.672 121.974 121.300 0.004 0.000 2.321 295 W HA -0.196 4.454 4.660 -0.017 0.000 0.306 295 W C 2.630 179.153 176.519 0.006 0.000 1.217 295 W CA 1.574 58.922 57.345 0.005 0.000 1.257 295 W CB -0.152 29.313 29.460 0.007 0.000 1.145 295 W HN 0.124 nan 8.180 nan 0.000 0.509 296 S N -0.429 115.428 115.700 0.262 0.000 2.593 296 S HA -0.053 4.408 4.470 -0.015 0.000 0.217 296 S C 0.532 175.193 174.600 0.102 0.000 0.966 296 S CA -0.198 58.096 58.200 0.158 0.000 0.914 296 S CB -0.518 62.747 63.200 0.110 0.000 0.776 296 S HN 0.147 nan 8.310 nan 0.000 0.523 297 N N 2.834 121.584 118.700 0.084 0.000 2.434 297 N HA 0.028 4.760 4.740 -0.015 0.000 0.268 297 N C -2.077 173.460 175.510 0.045 0.000 1.256 297 N CA -1.271 51.806 53.050 0.045 0.000 0.914 297 N CB 1.121 39.617 38.487 0.016 0.000 1.088 297 N HN -0.026 nan 8.380 nan 0.000 0.478 298 P HA -0.123 nan 4.420 nan 0.000 0.216 298 P C 1.026 178.342 177.300 0.026 0.000 1.154 298 P CA 1.665 64.786 63.100 0.034 0.000 0.865 298 P CB 0.178 31.893 31.700 0.026 0.000 0.789 299 T N -1.136 113.427 114.554 0.015 0.000 2.821 299 T HA -0.069 4.272 4.350 -0.015 0.000 0.267 299 T C 1.855 176.554 174.700 -0.000 0.000 1.046 299 T CA 0.986 63.089 62.100 0.006 0.000 1.139 299 T CB -0.926 67.941 68.868 -0.001 0.000 0.871 299 T HN -0.100 nan 8.240 nan 0.000 0.454 300 V N 1.723 121.633 119.914 -0.006 0.000 2.343 300 V HA -0.186 3.925 4.120 -0.015 0.000 0.247 300 V C 3.221 179.314 176.094 -0.001 0.000 1.051 300 V CA 2.263 64.546 62.300 -0.028 0.000 1.036 300 V CB -1.124 30.660 31.823 -0.066 0.000 0.654 300 V HN 0.543 nan 8.190 nan 0.000 0.451 301 R N 0.525 121.049 120.500 0.040 0.000 2.103 301 R HA -0.253 4.078 4.340 -0.015 0.000 0.242 301 R C 2.413 178.742 176.300 0.048 0.000 1.142 301 R CA 2.809 58.953 56.100 0.073 0.000 0.960 301 R CB -1.532 28.820 30.300 0.088 0.000 0.858 301 R HN 0.642 nan 8.270 nan 0.000 0.439 302 K N 0.684 121.102 120.400 0.030 0.000 2.032 302 K HA 0.009 4.320 4.320 -0.015 0.000 0.209 302 K C 2.483 179.092 176.600 0.015 0.000 1.048 302 K CA 2.036 58.336 56.287 0.021 0.000 0.927 302 K CB -1.192 31.317 32.500 0.014 0.000 0.712 302 K HN 1.003 nan 8.250 nan 0.000 0.441 303 V N -1.616 118.301 119.914 0.006 0.000 3.608 303 V HA 0.169 4.281 4.120 -0.015 0.000 0.269 303 V C 2.229 178.321 176.094 -0.004 0.000 1.245 303 V CA 1.097 63.396 62.300 -0.002 0.000 1.138 303 V CB -0.319 31.497 31.823 -0.012 0.000 0.841 303 V HN 0.536 nan 8.190 nan 0.000 0.451 304 R N 1.189 121.690 120.500 0.002 0.000 2.113 304 R HA -0.199 4.133 4.340 -0.015 0.000 0.244 304 R C 2.357 178.667 176.300 0.017 0.000 1.142 304 R CA 2.429 58.532 56.100 0.004 0.000 0.953 304 R CB -0.595 29.731 30.300 0.043 0.000 0.860 304 R HN 0.561 nan 8.270 nan 0.000 0.438 305 S N 0.171 115.887 115.700 0.026 0.000 2.359 305 S HA -0.182 4.279 4.470 -0.015 0.000 0.224 305 S C 1.705 176.315 174.600 0.016 0.000 1.035 305 S CA 1.640 59.855 58.200 0.026 0.000 1.018 305 S CB -0.288 62.928 63.200 0.027 0.000 0.876 305 S HN 0.441 nan 8.310 nan 0.000 0.448 306 E N 1.361 121.567 120.200 0.009 0.000 2.072 306 E HA -0.008 4.333 4.350 -0.015 0.000 0.191 306 E C 1.920 178.520 176.600 -0.000 0.000 0.985 306 E CA 0.952 57.354 56.400 0.004 0.000 0.801 306 E CB -0.447 29.254 29.700 0.002 0.000 0.750 306 E HN 0.441 nan 8.360 nan 0.000 0.452 307 L N 0.417 121.637 121.223 -0.006 0.000 2.046 307 L HA -0.186 4.145 4.340 -0.015 0.000 0.208 307 L C 2.464 179.329 176.870 -0.008 0.000 1.077 307 L CA 1.734 56.566 54.840 -0.013 0.000 0.747 307 L CB -0.405 41.638 42.059 -0.027 0.000 0.896 307 L HN 0.238 nan 8.230 nan 0.000 0.432 308 E N -0.487 119.712 120.200 -0.001 0.000 2.077 308 E HA -0.247 4.095 4.350 -0.015 0.000 0.193 308 E C 2.277 178.883 176.600 0.009 0.000 0.989 308 E CA 0.748 57.152 56.400 0.008 0.000 0.800 308 E CB -0.094 29.620 29.700 0.023 0.000 0.746 308 E HN 0.310 nan 8.360 nan 0.000 0.452 309 R N 1.155 121.661 120.500 0.009 0.000 2.091 309 R HA -0.151 4.180 4.340 -0.015 0.000 0.238 309 R C 2.221 178.524 176.300 0.004 0.000 1.136 309 R CA 1.407 57.512 56.100 0.008 0.000 0.959 309 R CB 0.004 30.308 30.300 0.008 0.000 0.856 309 R HN 0.057 nan 8.270 nan 0.000 0.437 310 R N -0.409 120.091 120.500 0.001 0.000 2.075 310 R HA -0.073 4.258 4.340 -0.015 0.000 0.232 310 R C 2.317 178.616 176.300 -0.001 0.000 1.126 310 R CA 1.400 57.499 56.100 -0.001 0.000 0.963 310 R CB -0.229 30.069 30.300 -0.004 0.000 0.858 310 R HN 0.090 nan 8.270 nan 0.000 0.435 311 V N 0.985 120.898 119.914 -0.002 0.000 2.295 311 V HA -0.260 3.851 4.120 -0.015 0.000 0.246 311 V C 2.244 178.339 176.094 0.002 0.000 1.049 311 V CA 1.766 64.065 62.300 -0.001 0.000 1.024 311 V CB -0.458 31.363 31.823 -0.002 0.000 0.648 311 V HN 0.302 nan 8.190 nan 0.000 0.447 312 R N 0.163 120.666 120.500 0.005 0.000 2.127 312 R HA -0.099 4.232 4.340 -0.015 0.000 0.238 312 R C 2.075 178.378 176.300 0.005 0.000 1.134 312 R CA 1.460 57.565 56.100 0.007 0.000 0.975 312 R CB -0.425 29.881 30.300 0.010 0.000 0.865 312 R HN 0.534 nan 8.270 nan 0.000 0.447 313 A N -0.199 122.623 122.820 0.004 0.000 2.275 313 A HA 0.254 4.565 4.320 -0.015 0.000 0.212 313 A C 1.325 178.910 177.584 0.001 0.000 1.201 313 A CA 0.581 52.620 52.037 0.003 0.000 0.843 313 A CB 0.101 19.103 19.000 0.003 0.000 0.873 313 A HN 0.415 nan 8.150 nan 0.000 0.492 314 G N -0.284 108.516 108.800 0.001 0.000 2.160 314 G HA2 -0.288 3.663 3.960 -0.015 0.000 0.251 314 G HA3 -0.288 3.663 3.960 -0.015 0.000 0.251 314 G C 0.440 175.339 174.900 -0.002 0.000 1.008 314 G CA 0.701 45.801 45.100 -0.000 0.000 0.724 314 G HN 0.619 nan 8.290 nan 0.000 0.514 315 E N -1.528 118.671 120.200 -0.002 0.000 2.385 315 E HA 0.354 4.695 4.350 -0.015 0.000 0.194 315 E C 0.569 177.166 176.600 -0.005 0.000 1.013 315 E CA 0.356 56.755 56.400 -0.003 0.000 0.866 315 E CB 0.445 30.144 29.700 -0.002 0.000 0.832 315 E HN 0.410 nan 8.360 nan 0.000 0.500 316 L N 0.370 121.590 121.223 -0.005 0.000 2.472 316 L HA 0.212 4.544 4.340 -0.015 0.000 0.260 316 L C -0.487 176.379 176.870 -0.008 0.000 0.963 316 L CA -0.644 54.191 54.840 -0.008 0.000 0.829 316 L CB 2.049 44.102 42.059 -0.010 0.000 1.348 316 L HN -0.098 nan 8.230 nan 0.000 0.408 317 T N 1.098 115.647 114.554 -0.009 0.000 2.899 317 T HA 0.417 4.759 4.350 -0.015 0.000 0.295 317 T C -2.076 172.616 174.700 -0.012 0.000 1.033 317 T CA -1.328 60.767 62.100 -0.009 0.000 1.084 317 T CB 0.951 69.814 68.868 -0.009 0.000 0.979 317 T HN 0.526 nan 8.240 nan 0.000 0.532 318 P HA -0.068 nan 4.420 nan 0.000 0.216 318 P C 1.682 178.970 177.300 -0.020 0.000 1.153 318 P CA 1.525 64.616 63.100 -0.014 0.000 0.858 318 P CB -0.277 31.418 31.700 -0.010 0.000 0.789 319 A N -0.910 121.900 122.820 -0.017 0.000 1.933 319 A HA -0.145 4.166 4.320 -0.015 0.000 0.218 319 A C 2.213 179.783 177.584 -0.023 0.000 1.175 319 A CA 1.369 53.394 52.037 -0.020 0.000 0.628 319 A CB -1.559 17.431 19.000 -0.016 0.000 0.814 319 A HN 0.124 nan 8.150 nan 0.000 0.444 320 L N -1.069 120.142 121.223 -0.020 0.000 2.109 320 L HA -0.103 4.228 4.340 -0.015 0.000 0.207 320 L C 3.062 179.916 176.870 -0.026 0.000 1.086 320 L CA 0.829 55.657 54.840 -0.021 0.000 0.760 320 L CB -0.441 41.608 42.059 -0.016 0.000 0.910 320 L HN 0.433 nan 8.230 nan 0.000 0.437 321 A N 0.124 122.927 122.820 -0.028 0.000 1.898 321 A HA -0.157 4.155 4.320 -0.015 0.000 0.216 321 A C 2.541 180.095 177.584 -0.050 0.000 1.181 321 A CA 1.610 53.625 52.037 -0.035 0.000 0.620 321 A CB -0.682 18.299 19.000 -0.032 0.000 0.819 321 A HN 0.378 nan 8.150 nan 0.000 0.442 322 A N -0.740 122.050 122.820 -0.050 0.000 1.883 322 A HA -0.284 4.027 4.320 -0.015 0.000 0.217 322 A C 2.217 179.766 177.584 -0.060 0.000 1.186 322 A CA 1.980 53.979 52.037 -0.063 0.000 0.624 322 A CB -0.709 18.259 19.000 -0.053 0.000 0.822 322 A HN 0.660 nan 8.150 nan 0.000 0.444 323 Q N -1.494 118.279 119.800 -0.044 0.000 2.096 323 Q HA -0.276 4.055 4.340 -0.015 0.000 0.204 323 Q C 2.523 178.499 176.000 -0.041 0.000 0.982 323 Q CA 2.550 58.330 55.803 -0.039 0.000 0.850 323 Q CB -0.367 28.354 28.738 -0.029 0.000 0.901 323 Q HN 0.790 nan 8.270 nan 0.000 0.422 324 Q N 0.504 120.280 119.800 -0.041 0.000 2.119 324 Q HA -0.127 4.204 4.340 -0.015 0.000 0.201 324 Q C 1.823 177.791 176.000 -0.052 0.000 0.972 324 Q CA 1.640 57.419 55.803 -0.040 0.000 0.847 324 Q CB -0.806 27.911 28.738 -0.035 0.000 0.903 324 Q HN 0.614 nan 8.270 nan 0.000 0.433 325 I N 0.064 120.592 120.570 -0.070 0.000 2.179 325 I HA -0.262 3.899 4.170 -0.015 0.000 0.242 325 I C 2.502 178.565 176.117 -0.090 0.000 1.088 325 I CA 1.383 62.624 61.300 -0.097 0.000 1.357 325 I CB -0.193 37.721 38.000 -0.144 0.000 1.051 325 I HN 0.324 nan 8.210 nan 0.000 0.409 326 L N 0.143 121.318 121.223 -0.079 0.000 2.046 326 L HA -0.214 4.117 4.340 -0.015 0.000 0.208 326 L C 2.505 179.347 176.870 -0.047 0.000 1.077 326 L CA 1.515 56.316 54.840 -0.065 0.000 0.747 326 L CB -0.643 41.383 42.059 -0.055 0.000 0.896 326 L HN 0.221 nan 8.230 nan 0.000 0.432 327 E N 0.230 120.406 120.200 -0.041 0.000 2.058 327 E HA -0.236 4.105 4.350 -0.015 0.000 0.194 327 E C 2.281 178.863 176.600 -0.030 0.000 0.997 327 E CA 1.376 57.758 56.400 -0.031 0.000 0.801 327 E CB -0.149 29.535 29.700 -0.027 0.000 0.746 327 E HN 0.452 nan 8.360 nan 0.000 0.450 328 I N 0.936 121.485 120.570 -0.035 0.000 2.202 328 I HA -0.256 3.905 4.170 -0.015 0.000 0.242 328 I C 2.511 178.610 176.117 -0.030 0.000 1.091 328 I CA 0.885 62.167 61.300 -0.031 0.000 1.368 328 I CB -0.258 37.722 38.000 -0.034 0.000 1.058 328 I HN 0.083 nan 8.210 nan 0.000 0.410 329 A N 0.855 123.651 122.820 -0.041 0.000 1.892 329 A HA -0.326 3.986 4.320 -0.015 0.000 0.218 329 A C 2.056 179.625 177.584 -0.024 0.000 1.188 329 A CA 2.641 54.657 52.037 -0.035 0.000 0.631 329 A CB -1.036 17.933 19.000 -0.051 0.000 0.822 329 A HN 0.525 nan 8.150 nan 0.000 0.447 330 N N -0.505 118.180 118.700 -0.025 0.000 2.244 330 N HA -0.027 4.705 4.740 -0.015 0.000 0.183 330 N C 1.483 176.985 175.510 -0.014 0.000 1.016 330 N CA 1.131 54.170 53.050 -0.018 0.000 0.866 330 N CB -0.306 38.170 38.487 -0.019 0.000 0.980 330 N HN 0.479 nan 8.380 nan 0.000 0.430 331 L N -0.727 120.487 121.223 -0.015 0.000 2.217 331 L HA -0.014 4.317 4.340 -0.015 0.000 0.211 331 L C 1.476 178.341 176.870 -0.008 0.000 1.107 331 L CA 1.412 56.246 54.840 -0.011 0.000 0.783 331 L CB -0.261 41.791 42.059 -0.012 0.000 0.919 331 L HN 0.426 nan 8.230 nan 0.000 0.442 332 T N -5.845 108.703 114.554 -0.009 0.000 3.044 332 T HA 0.116 4.457 4.350 -0.015 0.000 0.260 332 T C 0.460 175.158 174.700 -0.003 0.000 1.019 332 T CA -0.496 61.601 62.100 -0.005 0.000 0.921 332 T CB 0.275 69.141 68.868 -0.004 0.000 1.053 332 T HN -0.049 nan 8.240 nan 0.000 0.533 333 D N 0.000 120.397 120.400 -0.005 0.000 6.856 333 D HA 0.000 4.631 4.640 -0.015 0.000 0.175 333 D CA 0.000 53.999 54.000 -0.002 0.000 0.868 333 D CB 0.000 40.797 40.800 -0.004 0.000 0.688 333 D HN 0.000 nan 8.370 nan 0.000 0.683