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 3lss_1_B DATA FIRST_RESID -2 DATA SEQUENCE GSMMVLDIQL FRDETGANII RESQRRRFAD PDIVDAIIEA DKKWRRTQFL DATA SEQUENCE TEASKKLINI CSKAVGAKKK AKEADGDTSE IPPQVKEAYE NGTLKGEQVE DATA SEQUENCE QLCVLQLKQL SKDLSDQVAG LAKEAQQLEE ERDKLMLNVG NILHESVPIA DATA SEQUENCE QDEETGNTVV RTFGNTTKRA KLNHVSIMER LGMMDTSKAV TSMAGGRSYV DATA SEQUENCE LKGGLVQLQV ALVSYSLDFL VKRGYTPFYP PFFLNRDVMG EVAQLSQFDE DATA SEQUENCE ELYQVSGDGD KKYLIATSEM PIAAYHRGRW FTELKEPLKY AGMSTCFRKE DATA SEQUENCE AGAHGRDTLG IFRVHQFDKI EQFVVCSPRQ EESWRHLEDM ITTSEEFNKS DATA SEQUENCE LGLPYRVVNI CSGALNNAAA KKYDLEAWFP ASGAFRELVS CSNCTDYQSQ DATA SEQUENCE SVNCRYGPNL RGTAAQNVKE YCHMLNGTLC AITRTMCCIC ENYQTEEGVV DATA SEQUENCE IPDVLRPYMM GIEMIRFE 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 -2 G HA2 0.000 nan 3.960 nan 0.000 0.244 -2 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 -2 G C 0.000 174.855 174.900 -0.074 0.000 0.946 -2 G CA 0.000 45.051 45.100 -0.081 0.000 0.502 -1 S N 0.153 115.810 115.700 -0.072 0.000 2.549 -1 S HA 0.670 5.140 4.470 -0.000 0.000 0.283 -1 S C 0.262 174.848 174.600 -0.023 0.000 1.320 -1 S CA 0.173 58.350 58.200 -0.038 0.000 1.058 -1 S CB 0.091 63.287 63.200 -0.006 0.000 0.882 -1 S HN 0.477 nan 8.310 nan 0.000 0.498 0 M N 4.157 123.748 119.600 -0.014 0.000 2.365 0 M HA 0.302 4.782 4.480 -0.000 0.000 0.287 0 M C -0.931 175.360 176.300 -0.015 0.000 1.154 0 M CA -0.204 55.098 55.300 0.003 0.000 0.941 0 M CB 2.291 34.875 32.600 -0.027 0.000 1.704 0 M HN 0.676 nan 8.290 nan 0.000 0.479 1 M N 5.472 125.084 119.600 0.019 0.000 2.077 1 M HA 0.632 5.112 4.480 -0.000 0.000 0.348 1 M C -1.300 174.983 176.300 -0.028 0.000 1.252 1 M CA -0.409 54.885 55.300 -0.009 0.000 1.096 1 M CB 0.209 32.849 32.600 0.067 0.000 1.568 1 M HN 0.591 nan 8.290 nan 0.000 0.456 2 V N 2.626 122.420 119.914 -0.199 0.000 3.202 2 V HA 0.578 4.698 4.120 -0.000 0.000 0.306 2 V C -0.826 174.923 176.094 -0.575 0.000 1.283 2 V CA -1.395 60.758 62.300 -0.245 0.000 1.065 2 V CB 1.344 33.094 31.823 -0.121 0.000 1.079 2 V HN 0.803 nan 8.190 nan 0.000 0.448 3 L N 1.736 122.707 121.223 -0.421 0.000 2.482 3 L HA 0.366 4.706 4.340 -0.000 0.000 0.273 3 L C 0.386 177.158 176.870 -0.163 0.000 1.228 3 L CA 0.825 55.480 54.840 -0.307 0.000 0.827 3 L CB -0.013 42.146 42.059 0.168 0.000 1.099 3 L HN 1.039 nan 8.230 nan 0.000 0.494 4 D N 2.004 122.340 120.400 -0.106 0.000 2.424 4 D HA -0.045 4.595 4.640 -0.000 0.000 0.244 4 D C 0.947 177.329 176.300 0.137 0.000 1.134 4 D CA 0.196 54.161 54.000 -0.059 0.000 0.881 4 D CB 0.693 41.456 40.800 -0.061 0.000 1.191 4 D HN 0.510 nan 8.370 nan 0.000 0.445 5 I N 2.909 123.495 120.570 0.027 0.000 2.500 5 I HA -0.169 4.001 4.170 -0.000 0.000 0.252 5 I C 1.963 178.210 176.117 0.216 0.000 1.142 5 I CA 1.254 62.586 61.300 0.054 0.000 1.451 5 I CB -0.173 37.747 38.000 -0.132 0.000 1.093 5 I HN 0.519 nan 8.210 nan 0.000 0.430 6 Q N -0.412 119.483 119.800 0.157 0.000 2.135 6 Q HA -0.234 4.106 4.340 -0.000 0.000 0.204 6 Q C 2.165 178.254 176.000 0.149 0.000 0.981 6 Q CA 1.722 57.613 55.803 0.146 0.000 0.856 6 Q CB -0.436 28.381 28.738 0.132 0.000 0.902 6 Q HN 0.435 nan 8.270 nan 0.000 0.425 7 L N -0.261 121.048 121.223 0.143 0.000 2.201 7 L HA -0.070 4.270 4.340 -0.000 0.000 0.212 7 L C 1.604 178.467 176.870 -0.011 0.000 1.105 7 L CA 1.404 56.266 54.840 0.036 0.000 0.775 7 L CB -0.226 41.809 42.059 -0.041 0.000 0.913 7 L HN 0.096 nan 8.230 nan 0.000 0.440 8 F N -0.249 119.706 119.950 0.010 0.000 2.269 8 F HA -0.119 4.408 4.527 -0.000 0.000 0.301 8 F C 2.131 177.940 175.800 0.015 0.000 1.082 8 F CA 0.970 58.974 58.000 0.008 0.000 1.360 8 F CB -0.260 38.739 39.000 -0.002 0.000 1.041 8 F HN 0.011 nan 8.300 nan 0.000 0.512 9 R N -0.401 120.214 120.500 0.191 0.000 2.334 9 R HA 0.055 4.395 4.340 -0.000 0.000 0.220 9 R C -0.374 175.974 176.300 0.080 0.000 0.917 9 R CA 0.115 56.291 56.100 0.126 0.000 1.073 9 R CB -0.261 30.110 30.300 0.118 0.000 1.056 9 R HN 0.119 nan 8.270 nan 0.000 0.506 10 D N -0.036 120.400 120.400 0.060 0.000 2.362 10 D HA 0.051 4.691 4.640 -0.000 0.000 0.247 10 D C 0.506 176.816 176.300 0.016 0.000 1.050 10 D CA -0.511 53.509 54.000 0.033 0.000 0.839 10 D CB 1.737 42.552 40.800 0.026 0.000 1.283 10 D HN -0.132 nan 8.370 nan 0.000 0.477 11 E N 1.193 121.400 120.200 0.012 0.000 2.058 11 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 11 E C 1.192 177.784 176.600 -0.013 0.000 0.997 11 E CA 1.647 58.049 56.400 0.003 0.000 0.801 11 E CB 0.251 29.953 29.700 0.005 0.000 0.746 11 E HN 0.584 nan 8.360 nan 0.000 0.450 12 T N -0.519 114.027 114.554 -0.014 0.000 2.708 12 T HA -0.118 4.232 4.350 -0.000 0.000 0.266 12 T C 1.702 176.376 174.700 -0.042 0.000 1.037 12 T CA 1.123 63.209 62.100 -0.024 0.000 1.146 12 T CB -0.649 68.210 68.868 -0.015 0.000 0.865 12 T HN 0.406 nan 8.240 nan 0.000 0.435 13 G N 1.266 110.040 108.800 -0.043 0.000 2.446 13 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.217 13 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.217 13 G C 1.851 176.663 174.900 -0.147 0.000 1.168 13 G CA 1.022 46.073 45.100 -0.081 0.000 0.771 13 G HN 0.582 nan 8.290 nan 0.000 0.551 14 A N 1.094 123.842 122.820 -0.119 0.000 1.940 14 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 14 A C 2.296 179.809 177.584 -0.118 0.000 1.176 14 A CA 2.002 53.954 52.037 -0.141 0.000 0.631 14 A CB -0.446 18.533 19.000 -0.035 0.000 0.814 14 A HN 0.367 nan 8.150 nan 0.000 0.446 15 N N -0.041 118.611 118.700 -0.079 0.000 2.188 15 N HA -0.056 4.683 4.740 -0.000 0.000 0.184 15 N C 1.619 177.081 175.510 -0.081 0.000 1.018 15 N CA 1.330 54.341 53.050 -0.066 0.000 0.858 15 N CB -0.419 38.040 38.487 -0.046 0.000 0.989 15 N HN 0.569 nan 8.380 nan 0.000 0.426 16 I N 0.857 121.372 120.570 -0.092 0.000 2.286 16 I HA -0.222 3.948 4.170 -0.000 0.000 0.248 16 I C 1.900 177.949 176.117 -0.114 0.000 1.115 16 I CA 0.886 62.131 61.300 -0.092 0.000 1.392 16 I CB -0.111 37.839 38.000 -0.083 0.000 1.065 16 I HN 0.046 nan 8.210 nan 0.000 0.418 17 I N 0.098 120.566 120.570 -0.170 0.000 2.202 17 I HA -0.245 3.925 4.170 -0.000 0.000 0.242 17 I C 2.681 178.726 176.117 -0.120 0.000 1.091 17 I CA 1.214 62.395 61.300 -0.199 0.000 1.368 17 I CB -0.393 37.354 38.000 -0.421 0.000 1.058 17 I HN 0.097 nan 8.210 nan 0.000 0.410 18 R N 0.506 120.946 120.500 -0.101 0.000 2.091 18 R HA -0.234 4.106 4.340 -0.000 0.000 0.238 18 R C 2.258 178.518 176.300 -0.067 0.000 1.136 18 R CA 1.806 57.870 56.100 -0.060 0.000 0.959 18 R CB -0.427 29.846 30.300 -0.044 0.000 0.856 18 R HN 0.450 nan 8.270 nan 0.000 0.437 19 E N 0.363 120.517 120.200 -0.076 0.000 2.058 19 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 19 E C 1.990 178.534 176.600 -0.093 0.000 0.997 19 E CA 1.529 57.879 56.400 -0.084 0.000 0.801 19 E CB -0.058 29.593 29.700 -0.081 0.000 0.746 19 E HN 0.136 nan 8.360 nan 0.000 0.450 20 S N -0.306 115.345 115.700 -0.083 0.000 2.370 20 S HA -0.201 4.269 4.470 -0.000 0.000 0.226 20 S C 2.020 176.580 174.600 -0.068 0.000 1.033 20 S CA 1.303 59.460 58.200 -0.072 0.000 1.011 20 S CB -0.181 62.988 63.200 -0.053 0.000 0.852 20 S HN 0.293 nan 8.310 nan 0.000 0.457 21 Q N 0.873 120.640 119.800 -0.055 0.000 2.061 21 Q HA -0.078 4.262 4.340 -0.000 0.000 0.204 21 Q C 2.423 178.373 176.000 -0.082 0.000 0.984 21 Q CA 1.431 57.211 55.803 -0.038 0.000 0.846 21 Q CB -0.490 28.241 28.738 -0.011 0.000 0.902 21 Q HN 0.599 nan 8.270 nan 0.000 0.421 22 R N 0.222 120.653 120.500 -0.116 0.000 2.091 22 R HA -0.085 4.255 4.340 -0.000 0.000 0.238 22 R C 2.341 178.428 176.300 -0.355 0.000 1.136 22 R CA 1.154 57.138 56.100 -0.193 0.000 0.959 22 R CB -0.228 29.975 30.300 -0.160 0.000 0.856 22 R HN 0.206 nan 8.270 nan 0.000 0.437 23 R N 0.225 120.560 120.500 -0.275 0.000 2.148 23 R HA -0.029 4.311 4.340 -0.000 0.000 0.227 23 R C 1.926 178.059 176.300 -0.277 0.000 1.103 23 R CA 0.883 56.794 56.100 -0.315 0.000 0.983 23 R CB -0.043 30.155 30.300 -0.170 0.000 0.874 23 R HN 0.167 nan 8.270 nan 0.000 0.451 24 R N -0.175 120.240 120.500 -0.141 0.000 2.313 24 R HA 0.048 4.388 4.340 -0.000 0.000 0.199 24 R C -0.297 176.124 176.300 0.202 0.000 0.958 24 R CA 0.047 56.173 56.100 0.043 0.000 1.047 24 R CB 0.093 30.414 30.300 0.035 0.000 0.955 24 R HN 0.090 nan 8.270 nan 0.000 0.481 25 F N -0.876 119.071 119.950 -0.006 0.000 3.091 25 F HA -0.315 4.212 4.527 -0.000 0.000 0.288 25 F C 0.399 176.200 175.800 0.002 0.000 0.907 25 F CA 0.489 58.488 58.000 -0.002 0.000 1.028 25 F CB -1.987 37.011 39.000 -0.003 0.000 1.022 25 F HN 0.116 nan 8.300 nan 0.000 0.665 26 A N -0.880 121.991 122.820 0.086 0.000 2.347 26 A HA 0.676 4.996 4.320 -0.000 0.000 0.301 26 A C -0.450 177.158 177.584 0.039 0.000 1.163 26 A CA -0.491 51.586 52.037 0.068 0.000 0.860 26 A CB 0.821 19.855 19.000 0.057 0.000 1.367 26 A HN 0.075 nan 8.150 nan 0.000 0.461 27 D N 0.076 120.502 120.400 0.042 0.000 2.317 27 D HA 0.383 5.023 4.640 -0.000 0.000 0.252 27 D C -1.539 174.780 176.300 0.032 0.000 1.174 27 D CA -1.632 52.389 54.000 0.036 0.000 0.866 27 D CB 1.255 42.079 40.800 0.041 0.000 1.127 27 D HN 0.106 nan 8.370 nan 0.000 0.467 28 P HA 0.005 nan 4.420 nan 0.000 0.216 28 P C 0.676 177.995 177.300 0.032 0.000 1.154 28 P CA 0.419 63.529 63.100 0.017 0.000 0.857 28 P CB 0.457 32.153 31.700 -0.007 0.000 0.787 29 D N 0.138 120.554 120.400 0.026 0.000 2.254 29 D HA -0.187 4.453 4.640 -0.000 0.000 0.201 29 D C 1.857 178.182 176.300 0.041 0.000 0.998 29 D CA 0.772 54.790 54.000 0.030 0.000 0.885 29 D CB -0.976 39.839 40.800 0.024 0.000 0.915 29 D HN 0.183 nan 8.370 nan 0.000 0.460 30 I N -0.177 120.422 120.570 0.049 0.000 2.454 30 I HA -0.233 3.937 4.170 -0.000 0.000 0.254 30 I C 1.806 177.973 176.117 0.083 0.000 1.156 30 I CA 0.584 61.918 61.300 0.056 0.000 1.433 30 I CB 0.226 38.261 38.000 0.059 0.000 1.082 30 I HN -0.092 nan 8.210 nan 0.000 0.432 31 V N 0.680 120.663 119.914 0.116 0.000 2.343 31 V HA -0.296 3.824 4.120 -0.000 0.000 0.247 31 V C 2.023 178.208 176.094 0.151 0.000 1.051 31 V CA 2.012 64.432 62.300 0.199 0.000 1.036 31 V CB -0.728 31.203 31.823 0.179 0.000 0.654 31 V HN 0.426 nan 8.190 nan 0.000 0.451 32 D N 0.509 120.964 120.400 0.091 0.000 2.149 32 D HA -0.150 4.490 4.640 -0.000 0.000 0.198 32 D C 2.193 178.523 176.300 0.051 0.000 0.990 32 D CA 1.692 55.732 54.000 0.066 0.000 0.839 32 D CB -0.242 40.585 40.800 0.045 0.000 0.948 32 D HN 0.467 nan 8.370 nan 0.000 0.460 33 A N 0.300 123.144 122.820 0.041 0.000 1.929 33 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 33 A C 2.327 179.912 177.584 0.003 0.000 1.176 33 A CA 0.686 52.736 52.037 0.022 0.000 0.628 33 A CB -0.526 18.485 19.000 0.018 0.000 0.816 33 A HN 0.172 nan 8.150 nan 0.000 0.444 34 I N -0.362 120.203 120.570 -0.008 0.000 2.252 34 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 34 I C 2.231 178.296 176.117 -0.086 0.000 1.102 34 I CA 1.062 62.305 61.300 -0.096 0.000 1.385 34 I CB -0.254 37.620 38.000 -0.210 0.000 1.064 34 I HN 0.268 nan 8.210 nan 0.000 0.414 35 I N 0.520 121.095 120.570 0.010 0.000 2.208 35 I HA -0.297 3.873 4.170 -0.000 0.000 0.245 35 I C 2.607 178.745 176.117 0.035 0.000 1.097 35 I CA 1.418 62.748 61.300 0.049 0.000 1.363 35 I CB -0.220 37.843 38.000 0.105 0.000 1.051 35 I HN 0.246 nan 8.210 nan 0.000 0.413 36 E N 1.277 121.496 120.200 0.031 0.000 2.072 36 E HA -0.182 4.168 4.350 -0.000 0.000 0.191 36 E C 2.088 178.709 176.600 0.035 0.000 0.985 36 E CA 1.633 58.053 56.400 0.033 0.000 0.801 36 E CB -0.165 29.551 29.700 0.027 0.000 0.750 36 E HN 0.411 nan 8.360 nan 0.000 0.452 37 A N 0.468 123.298 122.820 0.017 0.000 1.898 37 A HA -0.186 4.134 4.320 -0.000 0.000 0.216 37 A C 2.098 179.719 177.584 0.062 0.000 1.181 37 A CA 1.905 53.956 52.037 0.025 0.000 0.620 37 A CB -0.868 18.124 19.000 -0.014 0.000 0.819 37 A HN 0.421 nan 8.150 nan 0.000 0.442 38 D N -0.680 119.737 120.400 0.029 0.000 2.178 38 D HA -0.158 4.482 4.640 -0.000 0.000 0.202 38 D C 1.915 178.330 176.300 0.191 0.000 0.974 38 D CA 1.534 55.587 54.000 0.089 0.000 0.841 38 D CB -0.094 40.702 40.800 -0.007 0.000 0.953 38 D HN 0.486 nan 8.370 nan 0.000 0.478 39 K N 0.327 120.798 120.400 0.119 0.000 2.002 39 K HA -0.182 4.138 4.320 -0.000 0.000 0.209 39 K C 2.025 178.687 176.600 0.104 0.000 1.048 39 K CA 1.182 57.530 56.287 0.102 0.000 0.930 39 K CB 0.039 32.576 32.500 0.061 0.000 0.714 39 K HN -0.014 nan 8.250 nan 0.000 0.438 40 K N -0.431 120.029 120.400 0.100 0.000 2.074 40 K HA -0.230 4.090 4.320 -0.000 0.000 0.209 40 K C 1.818 178.491 176.600 0.121 0.000 1.048 40 K CA 2.055 58.398 56.287 0.092 0.000 0.926 40 K CB -0.342 32.209 32.500 0.086 0.000 0.713 40 K HN 0.355 nan 8.250 nan 0.000 0.444 41 W N 1.684 122.989 121.300 0.008 0.000 2.355 41 W HA -0.140 4.520 4.660 -0.000 0.000 0.309 41 W C 1.892 178.430 176.519 0.032 0.000 1.206 41 W CA 1.340 58.692 57.345 0.013 0.000 1.284 41 W CB -0.017 29.441 29.460 -0.004 0.000 1.145 41 W HN -0.103 nan 8.180 nan 0.000 0.502 42 R N -0.155 120.426 120.500 0.135 0.000 2.096 42 R HA -0.188 4.152 4.340 -0.000 0.000 0.235 42 R C 2.212 178.448 176.300 -0.105 0.000 1.127 42 R CA 1.597 57.667 56.100 -0.051 0.000 0.968 42 R CB -0.502 29.881 30.300 0.138 0.000 0.861 42 R HN 0.031 nan 8.270 nan 0.000 0.440 43 R N 0.949 121.430 120.500 -0.033 0.000 2.091 43 R HA -0.128 4.212 4.340 -0.000 0.000 0.238 43 R C 2.242 178.539 176.300 -0.005 0.000 1.136 43 R CA 2.405 58.518 56.100 0.021 0.000 0.959 43 R CB -0.875 29.440 30.300 0.026 0.000 0.856 43 R HN 0.355 nan 8.270 nan 0.000 0.437 44 T N -1.657 112.816 114.554 -0.135 0.000 2.881 44 T HA -0.100 4.250 4.350 -0.000 0.000 0.270 44 T C 1.571 176.124 174.700 -0.245 0.000 1.068 44 T CA 0.909 62.903 62.100 -0.176 0.000 1.131 44 T CB -0.170 68.569 68.868 -0.214 0.000 0.871 44 T HN 0.206 nan 8.240 nan 0.000 0.479 45 Q N -0.095 119.476 119.800 -0.383 0.000 2.137 45 Q HA 0.132 4.472 4.340 -0.000 0.000 0.198 45 Q C 1.979 177.901 176.000 -0.129 0.000 0.960 45 Q CA 0.837 56.435 55.803 -0.342 0.000 0.847 45 Q CB -0.686 27.723 28.738 -0.548 0.000 0.915 45 Q HN 0.669 nan 8.270 nan 0.000 0.448 46 F N 1.678 121.522 119.950 -0.178 0.000 2.095 46 F HA -0.181 4.346 4.527 -0.000 0.000 0.298 46 F C 1.916 177.672 175.800 -0.074 0.000 1.104 46 F CA 1.213 59.155 58.000 -0.097 0.000 1.232 46 F CB -0.316 38.643 39.000 -0.069 0.000 0.987 46 F HN -0.046 nan 8.300 nan 0.000 0.475 47 L N -0.556 120.555 121.223 -0.187 0.000 2.056 47 L HA -0.205 4.135 4.340 -0.000 0.000 0.207 47 L C 2.401 179.138 176.870 -0.221 0.000 1.078 47 L CA 1.736 56.427 54.840 -0.247 0.000 0.749 47 L CB -1.255 40.773 42.059 -0.052 0.000 0.901 47 L HN 0.129 nan 8.230 nan 0.000 0.433 48 T N -0.757 113.696 114.554 -0.167 0.000 2.684 48 T HA -0.181 4.169 4.350 -0.000 0.000 0.267 48 T C 1.800 176.408 174.700 -0.153 0.000 1.036 48 T CA 1.352 63.367 62.100 -0.141 0.000 1.148 48 T CB -0.139 68.652 68.868 -0.129 0.000 0.863 48 T HN 0.284 nan 8.240 nan 0.000 0.436 49 E N 1.033 121.128 120.200 -0.175 0.000 2.106 49 E HA 0.015 4.365 4.350 -0.000 0.000 0.192 49 E C 2.546 179.033 176.600 -0.190 0.000 0.984 49 E CA 1.029 57.338 56.400 -0.153 0.000 0.806 49 E CB -0.542 29.088 29.700 -0.116 0.000 0.750 49 E HN 0.517 nan 8.360 nan 0.000 0.458 50 A N 1.017 123.654 122.820 -0.306 0.000 1.877 50 A HA -0.148 4.172 4.320 -0.000 0.000 0.216 50 A C 2.515 179.989 177.584 -0.184 0.000 1.186 50 A CA 1.882 53.747 52.037 -0.288 0.000 0.620 50 A CB -0.527 18.208 19.000 -0.442 0.000 0.822 50 A HN 0.185 nan 8.150 nan 0.000 0.443 51 S N -0.408 115.187 115.700 -0.176 0.000 2.383 51 S HA -0.104 4.366 4.470 -0.000 0.000 0.227 51 S C 1.922 176.442 174.600 -0.133 0.000 1.026 51 S CA 1.429 59.538 58.200 -0.151 0.000 0.981 51 S CB -0.200 62.906 63.200 -0.156 0.000 0.818 51 S HN 0.600 nan 8.310 nan 0.000 0.472 52 K N 1.271 121.600 120.400 -0.117 0.000 2.063 52 K HA -0.092 4.228 4.320 -0.000 0.000 0.208 52 K C 2.129 178.681 176.600 -0.079 0.000 1.048 52 K CA 1.208 57.441 56.287 -0.091 0.000 0.928 52 K CB -0.119 32.335 32.500 -0.077 0.000 0.713 52 K HN 0.229 nan 8.250 nan 0.000 0.442 53 K N 0.758 121.109 120.400 -0.082 0.000 2.057 53 K HA -0.079 4.241 4.320 -0.000 0.000 0.207 53 K C 2.056 178.618 176.600 -0.064 0.000 1.049 53 K CA 1.050 57.298 56.287 -0.066 0.000 0.931 53 K CB -0.070 32.391 32.500 -0.064 0.000 0.714 53 K HN 0.072 nan 8.250 nan 0.000 0.440 54 L N 0.651 121.826 121.223 -0.079 0.000 2.141 54 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 54 L C 2.211 179.034 176.870 -0.078 0.000 1.094 54 L CA 0.915 55.710 54.840 -0.074 0.000 0.763 54 L CB -0.373 41.634 42.059 -0.086 0.000 0.908 54 L HN 0.167 nan 8.230 nan 0.000 0.437 55 I N 0.072 120.588 120.570 -0.090 0.000 2.226 55 I HA -0.309 3.861 4.170 -0.000 0.000 0.245 55 I C 2.329 178.411 176.117 -0.058 0.000 1.100 55 I CA 1.387 62.637 61.300 -0.082 0.000 1.374 55 I CB -0.355 37.594 38.000 -0.086 0.000 1.057 55 I HN 0.324 nan 8.210 nan 0.000 0.413 56 N N 1.345 120.014 118.700 -0.051 0.000 2.120 56 N HA -0.142 4.598 4.740 -0.000 0.000 0.188 56 N C 1.773 177.262 175.510 -0.033 0.000 1.024 56 N CA 1.395 54.422 53.050 -0.039 0.000 0.852 56 N CB -0.170 38.296 38.487 -0.035 0.000 1.003 56 N HN 0.271 nan 8.380 nan 0.000 0.424 57 I N -0.338 120.211 120.570 -0.035 0.000 2.226 57 I HA -0.331 3.839 4.170 -0.000 0.000 0.245 57 I C 2.103 178.203 176.117 -0.027 0.000 1.100 57 I CA 0.667 61.950 61.300 -0.028 0.000 1.374 57 I CB -0.287 37.697 38.000 -0.027 0.000 1.057 57 I HN 0.279 nan 8.210 nan 0.000 0.413 58 C N -0.019 119.260 119.300 -0.035 0.000 2.413 58 C HA -0.159 4.301 4.460 -0.000 0.000 0.276 58 C C 3.203 178.176 174.990 -0.027 0.000 1.236 58 C CA 1.349 60.347 59.018 -0.033 0.000 1.735 58 C CB -0.960 26.753 27.740 -0.044 0.000 2.031 58 C HN 0.492 nan 8.230 nan 0.000 0.474 59 S N 0.380 116.062 115.700 -0.030 0.000 2.356 59 S HA -0.178 4.292 4.470 -0.000 0.000 0.223 59 S C 1.876 176.465 174.600 -0.019 0.000 1.032 59 S CA 1.345 59.530 58.200 -0.024 0.000 1.005 59 S CB -0.260 62.925 63.200 -0.026 0.000 0.867 59 S HN 0.639 nan 8.310 nan 0.000 0.449 60 K N 1.281 121.670 120.400 -0.019 0.000 2.057 60 K HA -0.005 4.315 4.320 -0.000 0.000 0.207 60 K C 2.447 179.040 176.600 -0.013 0.000 1.049 60 K CA 1.143 57.421 56.287 -0.015 0.000 0.931 60 K CB -0.339 32.152 32.500 -0.015 0.000 0.714 60 K HN 0.331 nan 8.250 nan 0.000 0.440 61 A N 1.158 123.970 122.820 -0.014 0.000 1.877 61 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 61 A C 2.398 179.975 177.584 -0.010 0.000 1.186 61 A CA 1.499 53.529 52.037 -0.011 0.000 0.620 61 A CB -0.758 18.235 19.000 -0.011 0.000 0.822 61 A HN 0.068 nan 8.150 nan 0.000 0.443 62 V N 0.026 119.932 119.914 -0.012 0.000 2.287 62 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 62 V C 2.835 178.924 176.094 -0.010 0.000 1.053 62 V CA 2.093 64.387 62.300 -0.011 0.000 1.027 62 V CB -1.540 30.275 31.823 -0.013 0.000 0.646 62 V HN 0.630 nan 8.190 nan 0.000 0.447 63 G N -0.512 108.282 108.800 -0.011 0.000 2.446 63 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 63 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 63 G C 1.761 176.657 174.900 -0.008 0.000 1.168 63 G CA 1.150 46.244 45.100 -0.009 0.000 0.771 63 G HN 0.631 nan 8.290 nan 0.000 0.551 64 A N 0.652 123.468 122.820 -0.008 0.000 1.898 64 A HA 0.036 4.356 4.320 -0.000 0.000 0.216 64 A C 2.318 179.899 177.584 -0.006 0.000 1.181 64 A CA 1.936 53.969 52.037 -0.006 0.000 0.620 64 A CB -0.313 18.684 19.000 -0.006 0.000 0.819 64 A HN 0.388 nan 8.150 nan 0.000 0.442 65 K N -0.264 120.133 120.400 -0.006 0.000 2.057 65 K HA -0.087 4.233 4.320 -0.000 0.000 0.206 65 K C 2.002 178.600 176.600 -0.005 0.000 1.050 65 K CA 1.269 57.553 56.287 -0.005 0.000 0.935 65 K CB -0.095 32.402 32.500 -0.005 0.000 0.715 65 K HN 0.218 nan 8.250 nan 0.000 0.439 66 K N 1.213 121.610 120.400 -0.005 0.000 2.057 66 K HA -0.151 4.169 4.320 -0.000 0.000 0.206 66 K C 2.035 178.632 176.600 -0.005 0.000 1.050 66 K CA 1.145 57.429 56.287 -0.005 0.000 0.935 66 K CB -0.115 32.382 32.500 -0.006 0.000 0.715 66 K HN 0.080 nan 8.250 nan 0.000 0.439 67 K N 0.868 121.265 120.400 -0.005 0.000 2.103 67 K HA -0.105 4.215 4.320 -0.000 0.000 0.207 67 K C 1.725 178.323 176.600 -0.004 0.000 1.048 67 K CA 1.443 57.727 56.287 -0.005 0.000 0.930 67 K CB -0.065 32.432 32.500 -0.005 0.000 0.716 67 K HN 0.105 nan 8.250 nan 0.000 0.444 68 A N 0.342 123.159 122.820 -0.004 0.000 2.238 68 A HA 0.072 4.392 4.320 -0.000 0.000 0.208 68 A C 0.216 177.798 177.584 -0.003 0.000 1.177 68 A CA 0.551 52.586 52.037 -0.003 0.000 0.804 68 A CB -0.129 18.869 19.000 -0.003 0.000 0.823 68 A HN 0.413 nan 8.150 nan 0.000 0.482 69 K N -0.133 120.265 120.400 -0.003 0.000 3.069 69 K HA -0.191 4.129 4.320 -0.000 0.000 0.267 69 K C 0.037 176.636 176.600 -0.003 0.000 1.082 69 K CA 1.086 57.372 56.287 -0.003 0.000 0.782 69 K CB -1.763 30.735 32.500 -0.003 0.000 1.230 69 K HN 0.846 nan 8.250 nan 0.000 0.488 70 E N 0.433 120.631 120.200 -0.003 0.000 2.414 70 E HA 0.284 4.634 4.350 -0.000 0.000 0.263 70 E C 0.243 176.842 176.600 -0.002 0.000 1.000 70 E CA 0.271 56.670 56.400 -0.002 0.000 0.914 70 E CB 0.556 30.254 29.700 -0.002 0.000 0.948 70 E HN 0.340 nan 8.360 nan 0.000 0.444 71 A N 4.375 127.194 122.820 -0.002 0.000 2.498 71 A HA -0.037 4.283 4.320 -0.000 0.000 0.239 71 A C 0.569 178.151 177.584 -0.002 0.000 1.068 71 A CA -0.125 51.911 52.037 -0.002 0.000 0.766 71 A CB 0.279 19.278 19.000 -0.001 0.000 1.003 71 A HN 0.862 nan 8.150 nan 0.000 0.497 72 D N 0.700 121.099 120.400 -0.002 0.000 2.182 72 D HA 0.213 4.853 4.640 -0.000 0.000 0.201 72 D C 1.182 177.482 176.300 -0.002 0.000 0.986 72 D CA 2.177 56.175 54.000 -0.002 0.000 0.847 72 D CB -0.187 40.611 40.800 -0.003 0.000 0.942 72 D HN 1.272 nan 8.370 nan 0.000 0.467 73 G N -0.528 108.272 108.800 -0.001 0.000 2.408 73 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.682 73 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.682 73 G C -0.275 174.625 174.900 0.000 0.000 1.303 73 G CA -0.081 45.019 45.100 -0.000 0.000 0.966 73 G HN -0.078 nan 8.290 nan 0.000 0.560 74 D N -0.741 119.659 120.400 0.001 0.000 2.213 74 D HA 0.259 4.899 4.640 -0.000 0.000 0.205 74 D C 1.321 177.622 176.300 0.002 0.000 0.961 74 D CA 2.131 56.132 54.000 0.001 0.000 0.853 74 D CB 0.531 41.332 40.800 0.002 0.000 0.967 74 D HN 0.652 nan 8.370 nan 0.000 0.496 75 T N -1.803 112.752 114.554 0.002 0.000 2.885 75 T HA 0.224 4.574 4.350 -0.000 0.000 0.322 75 T C 0.203 174.906 174.700 0.004 0.000 1.387 75 T CA -0.352 61.750 62.100 0.003 0.000 1.041 75 T CB 1.443 70.313 68.868 0.004 0.000 1.287 75 T HN -0.131 nan 8.240 nan 0.000 0.491 76 S N 1.444 117.147 115.700 0.005 0.000 2.575 76 S HA 0.220 4.690 4.470 -0.000 0.000 0.215 76 S C 0.525 175.132 174.600 0.011 0.000 0.966 76 S CA -0.176 58.028 58.200 0.006 0.000 0.911 76 S CB -0.240 62.963 63.200 0.004 0.000 0.780 76 S HN 0.749 nan 8.310 nan 0.000 0.514 77 E N 1.740 121.947 120.200 0.011 0.000 2.417 77 E HA 0.088 4.438 4.350 -0.000 0.000 0.261 77 E C -0.573 176.039 176.600 0.019 0.000 1.000 77 E CA -0.324 56.085 56.400 0.014 0.000 0.919 77 E CB 0.326 30.032 29.700 0.010 0.000 0.955 77 E HN 0.262 nan 8.360 nan 0.000 0.455 78 I N 7.025 127.613 120.570 0.029 0.000 2.371 78 I HA 0.174 4.344 4.170 -0.000 0.000 0.290 78 I C -1.945 174.188 176.117 0.028 0.000 1.028 78 I CA -2.728 58.597 61.300 0.041 0.000 1.345 78 I CB 0.233 38.279 38.000 0.077 0.000 1.407 78 I HN 0.416 nan 8.210 nan 0.000 0.501 79 P HA 0.105 nan 4.420 nan 0.000 0.265 79 P C -1.924 175.373 177.300 -0.004 0.000 1.193 79 P CA -0.828 62.277 63.100 0.008 0.000 0.765 79 P CB -0.012 31.694 31.700 0.009 0.000 0.823 80 P HA -0.244 nan 4.420 nan 0.000 0.216 80 P C 1.523 178.790 177.300 -0.054 0.000 1.150 80 P CA 1.578 64.656 63.100 -0.036 0.000 0.843 80 P CB -0.202 31.481 31.700 -0.029 0.000 0.787 81 Q N -0.666 119.112 119.800 -0.036 0.000 2.170 81 Q HA -0.106 4.234 4.340 -0.000 0.000 0.203 81 Q C 1.732 177.705 176.000 -0.044 0.000 0.976 81 Q CA 1.561 57.341 55.803 -0.037 0.000 0.858 81 Q CB -1.216 27.511 28.738 -0.018 0.000 0.907 81 Q HN 0.052 nan 8.270 nan 0.000 0.433 82 V N 1.451 121.350 119.914 -0.025 0.000 2.358 82 V HA -0.242 3.878 4.120 -0.000 0.000 0.246 82 V C 2.502 178.553 176.094 -0.073 0.000 1.047 82 V CA 2.131 64.436 62.300 0.008 0.000 1.035 82 V CB -0.693 31.167 31.823 0.061 0.000 0.658 82 V HN 0.444 nan 8.190 nan 0.000 0.452 83 K N 0.162 120.453 120.400 -0.181 0.000 2.057 83 K HA -0.224 4.096 4.320 -0.000 0.000 0.207 83 K C 2.113 178.323 176.600 -0.651 0.000 1.049 83 K CA 1.850 57.781 56.287 -0.593 0.000 0.931 83 K CB -0.138 32.177 32.500 -0.308 0.000 0.714 83 K HN 0.556 nan 8.250 nan 0.000 0.440 84 E N -0.019 119.999 120.200 -0.303 0.000 2.085 84 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 84 E C 1.988 178.483 176.600 -0.175 0.000 0.994 84 E CA 1.119 57.394 56.400 -0.208 0.000 0.801 84 E CB -0.130 29.503 29.700 -0.111 0.000 0.743 84 E HN 0.452 nan 8.360 nan 0.000 0.453 85 A N 1.339 124.081 122.820 -0.130 0.000 1.877 85 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 85 A C 2.142 179.726 177.584 -0.000 0.000 1.186 85 A CA 1.656 53.669 52.037 -0.040 0.000 0.620 85 A CB -0.984 18.018 19.000 0.004 0.000 0.822 85 A HN 0.555 nan 8.150 nan 0.000 0.443 86 Y N -0.863 119.428 120.300 -0.015 0.000 2.373 86 Y HA 0.089 4.638 4.550 -0.000 0.000 0.293 86 Y C 1.822 177.705 175.900 -0.028 0.000 1.129 86 Y CA 1.079 59.160 58.100 -0.032 0.000 1.226 86 Y CB -0.393 38.044 38.460 -0.039 0.000 1.000 86 Y HN 0.329 nan 8.280 nan 0.000 0.549 87 E N 0.532 120.635 120.200 -0.161 0.000 2.204 87 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 87 E C 1.157 177.763 176.600 0.010 0.000 0.989 87 E CA 1.130 57.496 56.400 -0.058 0.000 0.824 87 E CB -0.129 29.469 29.700 -0.170 0.000 0.756 87 E HN 0.499 nan 8.360 nan 0.000 0.477 88 N N -0.880 117.827 118.700 0.012 0.000 2.236 88 N HA 0.034 4.774 4.740 -0.000 0.000 0.196 88 N C 0.418 176.012 175.510 0.140 0.000 1.114 88 N CA 0.701 53.788 53.050 0.063 0.000 0.859 88 N CB 1.030 39.536 38.487 0.032 0.000 0.982 88 N HN 0.133 nan 8.380 nan 0.000 0.493 89 G N -0.036 108.824 108.800 0.101 0.000 2.176 89 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.252 89 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.252 89 G C 0.590 175.549 174.900 0.098 0.000 1.024 89 G CA 0.923 46.054 45.100 0.051 0.000 0.755 89 G HN 0.510 nan 8.290 nan 0.000 0.507 90 T N -2.882 111.722 114.554 0.084 0.000 3.132 90 T HA 0.551 4.901 4.350 -0.000 0.000 0.274 90 T C 0.631 175.360 174.700 0.048 0.000 1.011 90 T CA 0.043 62.189 62.100 0.076 0.000 0.899 90 T CB 0.728 69.636 68.868 0.068 0.000 1.089 90 T HN 0.723 nan 8.240 nan 0.000 0.543 91 L N 2.600 123.851 121.223 0.048 0.000 2.360 91 L HA 0.475 4.815 4.340 -0.000 0.000 0.276 91 L C -0.208 176.678 176.870 0.028 0.000 1.121 91 L CA -0.055 54.815 54.840 0.049 0.000 0.845 91 L CB 0.338 42.452 42.059 0.092 0.000 1.143 91 L HN 0.091 nan 8.230 nan 0.000 0.452 92 K N 3.250 123.665 120.400 0.024 0.000 2.123 92 K HA 0.441 4.761 4.320 -0.000 0.000 0.259 92 K C 1.113 177.719 176.600 0.009 0.000 0.960 92 K CA 0.111 56.407 56.287 0.015 0.000 0.872 92 K CB 1.317 33.827 32.500 0.016 0.000 1.079 92 K HN 0.765 nan 8.250 nan 0.000 0.440 93 G N 1.904 110.705 108.800 0.002 0.000 2.442 93 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.219 93 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.219 93 G C 1.151 176.052 174.900 0.001 0.000 1.141 93 G CA 1.104 46.202 45.100 -0.003 0.000 0.763 93 G HN 0.876 nan 8.290 nan 0.000 0.554 94 E N 0.174 120.377 120.200 0.004 0.000 2.153 94 E HA -0.240 4.110 4.350 -0.000 0.000 0.194 94 E C 2.223 178.827 176.600 0.006 0.000 0.988 94 E CA 1.347 57.749 56.400 0.005 0.000 0.811 94 E CB -0.397 29.306 29.700 0.006 0.000 0.746 94 E HN 0.638 nan 8.360 nan 0.000 0.466 95 Q N 1.126 120.932 119.800 0.010 0.000 2.096 95 Q HA -0.080 4.260 4.340 -0.000 0.000 0.197 95 Q C 2.293 178.301 176.000 0.013 0.000 0.964 95 Q CA 1.213 57.024 55.803 0.012 0.000 0.838 95 Q CB 0.148 28.896 28.738 0.017 0.000 0.906 95 Q HN 0.216 nan 8.270 nan 0.000 0.444 96 V N 1.620 121.541 119.914 0.012 0.000 2.392 96 V HA -0.260 3.860 4.120 -0.000 0.000 0.249 96 V C 1.749 177.846 176.094 0.004 0.000 1.059 96 V CA 2.219 64.525 62.300 0.009 0.000 1.051 96 V CB -0.493 31.331 31.823 0.001 0.000 0.658 96 V HN 0.435 nan 8.190 nan 0.000 0.455 97 E N -0.537 119.664 120.200 0.001 0.000 2.409 97 E HA -0.172 4.178 4.350 -0.000 0.000 0.198 97 E C 2.103 178.704 176.600 0.001 0.000 1.024 97 E CA 0.422 56.822 56.400 -0.000 0.000 0.861 97 E CB -0.032 29.667 29.700 -0.001 0.000 0.788 97 E HN 0.601 nan 8.360 nan 0.000 0.521 98 Q N -0.102 119.701 119.800 0.004 0.000 2.432 98 Q HA 0.053 4.393 4.340 -0.000 0.000 0.205 98 Q C 0.732 176.735 176.000 0.005 0.000 0.945 98 Q CA 0.393 56.198 55.803 0.004 0.000 0.924 98 Q CB 0.220 28.962 28.738 0.006 0.000 1.016 98 Q HN 0.331 nan 8.270 nan 0.000 0.503 99 L N 1.213 122.439 121.223 0.006 0.000 2.436 99 L HA 0.091 4.431 4.340 -0.000 0.000 0.265 99 L C 0.973 177.845 176.870 0.003 0.000 1.168 99 L CA -0.745 54.099 54.840 0.006 0.000 0.815 99 L CB 0.339 42.403 42.059 0.008 0.000 1.109 99 L HN 0.149 nan 8.230 nan 0.000 0.462 100 C N 0.661 119.963 119.300 0.003 0.000 2.563 100 C HA 0.266 4.726 4.460 -0.000 0.000 0.358 100 C C 1.953 176.943 174.990 -0.001 0.000 1.336 100 C CA -0.893 58.125 59.018 0.001 0.000 2.454 100 C CB 0.660 28.401 27.740 0.001 0.000 2.448 100 C HN 0.685 nan 8.230 nan 0.000 0.670 101 V N 1.815 121.728 119.914 -0.003 0.000 2.282 101 V HA -0.238 3.882 4.120 -0.000 0.000 0.249 101 V C 2.535 178.626 176.094 -0.005 0.000 1.057 101 V CA 2.435 64.732 62.300 -0.005 0.000 1.032 101 V CB -0.936 30.884 31.823 -0.005 0.000 0.645 101 V HN 0.894 nan 8.190 nan 0.000 0.447 102 L N -0.787 120.435 121.223 -0.003 0.000 2.079 102 L HA -0.266 4.074 4.340 -0.000 0.000 0.210 102 L C 2.644 179.514 176.870 -0.001 0.000 1.081 102 L CA 1.745 56.584 54.840 -0.002 0.000 0.752 102 L CB -0.648 41.411 42.059 -0.000 0.000 0.896 102 L HN 0.394 nan 8.230 nan 0.000 0.433 103 Q N -0.158 119.643 119.800 0.001 0.000 2.079 103 Q HA -0.148 4.192 4.340 -0.000 0.000 0.200 103 Q C 2.411 178.411 176.000 0.001 0.000 0.974 103 Q CA 1.157 56.963 55.803 0.005 0.000 0.840 103 Q CB -0.086 28.657 28.738 0.009 0.000 0.898 103 Q HN 0.486 nan 8.270 nan 0.000 0.430 104 L N 0.613 121.833 121.223 -0.005 0.000 2.046 104 L HA -0.233 4.107 4.340 -0.000 0.000 0.208 104 L C 2.295 179.153 176.870 -0.020 0.000 1.077 104 L CA 1.319 56.151 54.840 -0.013 0.000 0.747 104 L CB -0.326 41.725 42.059 -0.013 0.000 0.896 104 L HN 0.137 nan 8.230 nan 0.000 0.432 105 K N -0.487 119.903 120.400 -0.016 0.000 2.026 105 K HA -0.250 4.070 4.320 -0.000 0.000 0.208 105 K C 2.192 178.779 176.600 -0.021 0.000 1.048 105 K CA 1.523 57.799 56.287 -0.019 0.000 0.929 105 K CB -0.150 32.342 32.500 -0.014 0.000 0.713 105 K HN 0.097 nan 8.250 nan 0.000 0.439 106 Q N 1.293 121.085 119.800 -0.013 0.000 2.084 106 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 106 Q C 1.935 177.922 176.000 -0.020 0.000 0.978 106 Q CA 1.276 57.073 55.803 -0.010 0.000 0.844 106 Q CB -0.270 28.471 28.738 0.004 0.000 0.898 106 Q HN 0.213 nan 8.270 nan 0.000 0.426 107 L N -0.164 121.045 121.223 -0.023 0.000 2.046 107 L HA -0.095 4.245 4.340 -0.000 0.000 0.208 107 L C 2.304 179.106 176.870 -0.112 0.000 1.077 107 L CA 2.253 57.061 54.840 -0.053 0.000 0.747 107 L CB -1.145 40.895 42.059 -0.031 0.000 0.896 107 L HN 0.308 nan 8.230 nan 0.000 0.432 108 S N -0.824 114.826 115.700 -0.082 0.000 2.368 108 S HA -0.228 4.242 4.470 -0.000 0.000 0.225 108 S C 2.075 176.619 174.600 -0.093 0.000 1.030 108 S CA 1.576 59.721 58.200 -0.091 0.000 0.999 108 S CB -0.199 62.964 63.200 -0.062 0.000 0.844 108 S HN 0.541 nan 8.310 nan 0.000 0.459 109 K N 0.398 120.758 120.400 -0.068 0.000 2.057 109 K HA -0.083 4.237 4.320 -0.000 0.000 0.207 109 K C 1.786 178.343 176.600 -0.072 0.000 1.049 109 K CA 1.580 57.833 56.287 -0.057 0.000 0.931 109 K CB -0.250 32.230 32.500 -0.034 0.000 0.714 109 K HN 0.374 nan 8.250 nan 0.000 0.440 110 D N 1.020 121.368 120.400 -0.087 0.000 2.117 110 D HA -0.099 4.541 4.640 -0.000 0.000 0.198 110 D C 1.952 178.122 176.300 -0.216 0.000 0.982 110 D CA 0.901 54.846 54.000 -0.093 0.000 0.828 110 D CB -0.169 40.611 40.800 -0.033 0.000 0.967 110 D HN 0.102 nan 8.370 nan 0.000 0.464 111 L N 0.630 121.649 121.223 -0.340 0.000 2.083 111 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 111 L C 2.420 179.170 176.870 -0.200 0.000 1.083 111 L CA 0.827 55.437 54.840 -0.384 0.000 0.752 111 L CB -0.294 41.546 42.059 -0.366 0.000 0.899 111 L HN -0.061 nan 8.230 nan 0.000 0.433 112 S N -0.450 115.167 115.700 -0.138 0.000 2.383 112 S HA -0.164 4.306 4.470 -0.000 0.000 0.227 112 S C 1.504 176.064 174.600 -0.067 0.000 1.026 112 S CA 1.221 59.368 58.200 -0.089 0.000 0.981 112 S CB -0.240 62.919 63.200 -0.068 0.000 0.818 112 S HN 0.446 nan 8.310 nan 0.000 0.472 113 D N 1.168 121.532 120.400 -0.061 0.000 2.117 113 D HA -0.113 4.527 4.640 -0.000 0.000 0.198 113 D C 2.046 178.332 176.300 -0.024 0.000 0.982 113 D CA 0.785 54.766 54.000 -0.031 0.000 0.828 113 D CB -0.427 40.364 40.800 -0.015 0.000 0.967 113 D HN 0.446 nan 8.370 nan 0.000 0.464 114 Q N 0.795 120.572 119.800 -0.037 0.000 2.061 114 Q HA -0.136 4.204 4.340 -0.000 0.000 0.204 114 Q C 2.155 178.138 176.000 -0.028 0.000 0.984 114 Q CA 1.190 56.988 55.803 -0.009 0.000 0.846 114 Q CB 0.090 28.827 28.738 -0.002 0.000 0.902 114 Q HN 0.078 nan 8.270 nan 0.000 0.421 115 V N 1.102 120.981 119.914 -0.058 0.000 2.407 115 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 115 V C 2.400 178.472 176.094 -0.037 0.000 1.055 115 V CA 1.794 64.060 62.300 -0.056 0.000 1.049 115 V CB -1.056 30.725 31.823 -0.070 0.000 0.662 115 V HN 0.514 nan 8.190 nan 0.000 0.455 116 A N 0.466 123.269 122.820 -0.029 0.000 1.898 116 A HA -0.066 4.254 4.320 -0.000 0.000 0.216 116 A C 2.435 180.014 177.584 -0.007 0.000 1.181 116 A CA 1.872 53.899 52.037 -0.016 0.000 0.620 116 A CB -1.211 17.781 19.000 -0.014 0.000 0.819 116 A HN 0.517 nan 8.150 nan 0.000 0.442 117 G N -0.220 108.578 108.800 -0.004 0.000 2.418 117 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.217 117 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.217 117 G C 1.533 176.434 174.900 0.002 0.000 1.158 117 G CA 1.013 46.116 45.100 0.004 0.000 0.771 117 G HN 0.427 nan 8.290 nan 0.000 0.545 118 L N 0.604 121.822 121.223 -0.008 0.000 2.131 118 L HA -0.019 4.321 4.340 -0.000 0.000 0.210 118 L C 3.329 180.186 176.870 -0.022 0.000 1.092 118 L CA 0.823 55.650 54.840 -0.021 0.000 0.759 118 L CB -0.250 41.784 42.059 -0.042 0.000 0.903 118 L HN 0.314 nan 8.230 nan 0.000 0.435 119 A N -0.002 122.811 122.820 -0.012 0.000 1.930 119 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 119 A C 2.322 179.923 177.584 0.028 0.000 1.175 119 A CA 1.370 53.411 52.037 0.007 0.000 0.627 119 A CB -0.204 18.800 19.000 0.006 0.000 0.815 119 A HN 0.297 nan 8.150 nan 0.000 0.443 120 K N -0.267 120.146 120.400 0.021 0.000 2.062 120 K HA -0.103 4.217 4.320 -0.000 0.000 0.205 120 K C 1.967 178.589 176.600 0.036 0.000 1.051 120 K CA 1.437 57.740 56.287 0.027 0.000 0.941 120 K CB -0.167 32.344 32.500 0.018 0.000 0.719 120 K HN 0.583 nan 8.250 nan 0.000 0.440 121 E N 0.769 120.987 120.200 0.030 0.000 2.058 121 E HA -0.218 4.132 4.350 -0.000 0.000 0.194 121 E C 2.092 178.733 176.600 0.068 0.000 0.997 121 E CA 1.142 57.564 56.400 0.038 0.000 0.801 121 E CB -0.178 29.536 29.700 0.023 0.000 0.746 121 E HN 0.326 nan 8.360 nan 0.000 0.450 122 A N 1.241 124.100 122.820 0.065 0.000 1.917 122 A HA -0.257 4.063 4.320 -0.000 0.000 0.219 122 A C 2.112 179.843 177.584 0.244 0.000 1.182 122 A CA 1.486 53.609 52.037 0.144 0.000 0.633 122 A CB -0.309 18.735 19.000 0.074 0.000 0.819 122 A HN 0.144 nan 8.150 nan 0.000 0.448 123 Q N -1.027 118.859 119.800 0.144 0.000 2.212 123 Q HA -0.057 4.283 4.340 -0.000 0.000 0.199 123 Q C 2.183 178.226 176.000 0.072 0.000 0.950 123 Q CA 0.842 56.712 55.803 0.112 0.000 0.863 123 Q CB -0.249 28.534 28.738 0.075 0.000 0.944 123 Q HN 0.723 nan 8.270 nan 0.000 0.465 124 Q N 0.534 120.372 119.800 0.063 0.000 2.079 124 Q HA -0.051 4.289 4.340 -0.000 0.000 0.200 124 Q C 2.323 178.353 176.000 0.050 0.000 0.974 124 Q CA 0.839 56.668 55.803 0.043 0.000 0.840 124 Q CB -0.239 28.520 28.738 0.035 0.000 0.898 124 Q HN 0.363 nan 8.270 nan 0.000 0.430 125 L N 0.873 122.148 121.223 0.087 0.000 2.046 125 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 125 L C 2.587 179.502 176.870 0.074 0.000 1.077 125 L CA 1.055 55.958 54.840 0.104 0.000 0.747 125 L CB -0.343 41.823 42.059 0.178 0.000 0.896 125 L HN 0.195 nan 8.230 nan 0.000 0.432 126 E N 0.471 120.721 120.200 0.085 0.000 2.106 126 E HA -0.211 4.139 4.350 -0.000 0.000 0.192 126 E C 1.935 178.492 176.600 -0.073 0.000 0.984 126 E CA 1.258 57.623 56.400 -0.058 0.000 0.806 126 E CB 0.183 29.852 29.700 -0.051 0.000 0.750 126 E HN 0.543 nan 8.360 nan 0.000 0.458 127 E N 0.390 120.573 120.200 -0.028 0.000 2.072 127 E HA -0.153 4.197 4.350 -0.000 0.000 0.190 127 E C 2.071 178.649 176.600 -0.037 0.000 0.982 127 E CA 0.867 57.246 56.400 -0.036 0.000 0.803 127 E CB -0.089 29.600 29.700 -0.019 0.000 0.755 127 E HN 0.284 nan 8.360 nan 0.000 0.453 128 E N 1.255 121.443 120.200 -0.021 0.000 2.077 128 E HA -0.258 4.092 4.350 -0.000 0.000 0.193 128 E C 2.223 178.799 176.600 -0.040 0.000 0.989 128 E CA 0.920 57.308 56.400 -0.019 0.000 0.800 128 E CB 0.068 29.768 29.700 -0.001 0.000 0.746 128 E HN 0.053 nan 8.360 nan 0.000 0.452 129 R N 0.616 121.081 120.500 -0.059 0.000 2.070 129 R HA -0.170 4.169 4.340 -0.000 0.000 0.232 129 R C 2.291 178.514 176.300 -0.129 0.000 1.138 129 R CA 1.976 58.014 56.100 -0.104 0.000 0.936 129 R CB -0.482 29.730 30.300 -0.147 0.000 0.839 129 R HN 0.216 nan 8.270 nan 0.000 0.429 130 D N 0.486 120.804 120.400 -0.137 0.000 2.149 130 D HA -0.208 4.432 4.640 -0.000 0.000 0.198 130 D C 1.734 177.984 176.300 -0.082 0.000 0.990 130 D CA 1.104 55.025 54.000 -0.132 0.000 0.839 130 D CB 0.011 40.734 40.800 -0.129 0.000 0.948 130 D HN 0.215 nan 8.370 nan 0.000 0.460 131 K N 0.478 120.842 120.400 -0.060 0.000 2.063 131 K HA -0.156 4.164 4.320 -0.000 0.000 0.208 131 K C 2.533 179.117 176.600 -0.026 0.000 1.048 131 K CA 0.744 57.011 56.287 -0.034 0.000 0.928 131 K CB -0.236 32.248 32.500 -0.027 0.000 0.713 131 K HN 0.219 nan 8.250 nan 0.000 0.442 132 L N 0.412 121.613 121.223 -0.037 0.000 2.131 132 L HA -0.142 4.198 4.340 -0.000 0.000 0.210 132 L C 2.661 179.514 176.870 -0.029 0.000 1.092 132 L CA 0.907 55.730 54.840 -0.029 0.000 0.759 132 L CB -0.211 41.826 42.059 -0.037 0.000 0.903 132 L HN 0.318 nan 8.230 nan 0.000 0.435 133 M N -0.559 119.004 119.600 -0.062 0.000 2.492 133 M HA -0.111 4.369 4.480 -0.000 0.000 0.262 133 M C 2.026 178.332 176.300 0.010 0.000 1.090 133 M CA 0.970 56.237 55.300 -0.056 0.000 1.110 133 M CB 0.083 32.597 32.600 -0.143 0.000 1.407 133 M HN 0.268 nan 8.290 nan 0.000 0.470 134 L N 0.170 121.400 121.223 0.011 0.000 2.189 134 L HA -0.262 4.078 4.340 -0.000 0.000 0.214 134 L C 1.466 178.375 176.870 0.064 0.000 1.097 134 L CA 0.927 55.792 54.840 0.042 0.000 0.764 134 L CB -0.697 41.381 42.059 0.031 0.000 0.900 134 L HN 0.366 nan 8.230 nan 0.000 0.436 135 N N -0.663 118.071 118.700 0.057 0.000 2.383 135 N HA 0.061 4.801 4.740 -0.000 0.000 0.192 135 N C -0.314 175.247 175.510 0.085 0.000 1.141 135 N CA 0.243 53.331 53.050 0.063 0.000 0.851 135 N CB 0.830 39.347 38.487 0.050 0.000 0.976 135 N HN 0.045 nan 8.380 nan 0.000 0.465 136 V N 0.650 120.636 119.914 0.120 0.000 2.357 136 V HA 0.499 4.619 4.120 -0.000 0.000 0.284 136 V C 0.810 177.022 176.094 0.196 0.000 1.018 136 V CA -0.972 61.424 62.300 0.160 0.000 0.841 136 V CB 1.248 33.212 31.823 0.235 0.000 0.991 136 V HN 0.058 nan 8.190 nan 0.000 0.437 137 G N 2.895 111.769 108.800 0.125 0.000 2.504 137 G HA2 0.254 4.214 3.960 -0.000 0.000 0.288 137 G HA3 0.254 4.214 3.960 -0.000 0.000 0.288 137 G C -0.031 174.929 174.900 0.100 0.000 1.182 137 G CA -0.485 44.655 45.100 0.067 0.000 0.894 137 G HN 0.599 nan 8.290 nan 0.000 0.521 138 N N -0.502 118.185 118.700 -0.022 0.000 2.374 138 N HA -0.052 4.688 4.740 -0.000 0.000 0.241 138 N C 0.567 176.099 175.510 0.036 0.000 1.262 138 N CA -0.405 52.675 53.050 0.050 0.000 0.880 138 N CB 0.273 38.700 38.487 -0.099 0.000 1.105 138 N HN 0.093 nan 8.380 nan 0.000 0.438 139 I N 3.322 123.926 120.570 0.056 0.000 2.587 139 I HA 0.016 4.186 4.170 -0.000 0.000 0.284 139 I C 0.782 176.928 176.117 0.047 0.000 1.134 139 I CA -0.091 61.226 61.300 0.030 0.000 1.410 139 I CB -0.651 37.364 38.000 0.024 0.000 1.392 139 I HN 0.348 nan 8.210 nan 0.000 0.545 140 L N 6.278 127.508 121.223 0.012 0.000 2.453 140 L HA 0.052 4.392 4.340 -0.000 0.000 0.272 140 L C 1.163 178.040 176.870 0.012 0.000 1.182 140 L CA 0.051 54.902 54.840 0.018 0.000 0.858 140 L CB 0.005 42.050 42.059 -0.024 0.000 1.120 140 L HN 0.544 nan 8.230 nan 0.000 0.474 141 H N 2.562 121.584 119.070 -0.081 0.000 2.871 141 H HA -0.043 4.513 4.556 -0.000 0.000 0.355 141 H C 0.502 175.686 175.328 -0.240 0.000 1.092 141 H CA -0.158 55.717 56.048 -0.288 0.000 1.420 141 H CB 1.193 30.593 29.762 -0.604 0.000 1.400 141 H HN 0.638 nan 8.280 nan 0.000 0.604 142 E N 1.424 121.122 120.200 -0.838 0.000 2.265 142 E HA -0.153 4.197 4.350 -0.000 0.000 0.196 142 E C 1.846 178.260 176.600 -0.311 0.000 0.996 142 E CA 1.433 57.526 56.400 -0.511 0.000 0.832 142 E CB 0.135 29.509 29.700 -0.543 0.000 0.756 142 E HN 0.576 nan 8.360 nan 0.000 0.491 143 S N -0.638 114.928 115.700 -0.223 0.000 2.575 143 S HA 0.095 4.565 4.470 -0.000 0.000 0.215 143 S C 0.725 175.322 174.600 -0.004 0.000 0.966 143 S CA -0.473 57.711 58.200 -0.027 0.000 0.911 143 S CB 0.059 63.318 63.200 0.098 0.000 0.780 143 S HN -0.070 nan 8.310 nan 0.000 0.514 144 V N 4.249 124.152 119.914 -0.018 0.000 2.529 144 V HA 0.240 4.360 4.120 -0.000 0.000 0.292 144 V C -2.193 173.899 176.094 -0.004 0.000 1.028 144 V CA -1.559 60.733 62.300 -0.013 0.000 1.074 144 V CB 0.149 31.968 31.823 -0.008 0.000 0.958 144 V HN 0.289 nan 8.190 nan 0.000 0.481 145 P HA 0.149 nan 4.420 nan 0.000 0.268 145 P C -0.569 176.765 177.300 0.058 0.000 1.204 145 P CA -0.162 62.955 63.100 0.028 0.000 0.768 145 P CB 0.280 31.997 31.700 0.028 0.000 0.842 146 I N 3.019 123.637 120.570 0.080 0.000 2.287 146 I HA 0.549 4.719 4.170 -0.000 0.000 0.290 146 I C 0.563 176.840 176.117 0.266 0.000 1.069 146 I CA -0.459 60.942 61.300 0.168 0.000 1.237 146 I CB -0.636 37.418 38.000 0.089 0.000 1.418 146 I HN 0.366 nan 8.210 nan 0.000 0.481 147 A N 5.857 128.852 122.820 0.293 0.000 2.608 147 A HA 0.547 4.867 4.320 -0.000 0.000 0.292 147 A C 0.247 177.695 177.584 -0.227 0.000 1.066 147 A CA -0.480 51.574 52.037 0.027 0.000 0.676 147 A CB 1.596 20.588 19.000 -0.015 0.000 1.277 147 A HN 0.541 nan 8.150 nan 0.000 0.413 148 Q N -0.221 119.224 119.800 -0.592 0.000 2.165 148 Q HA 0.040 4.380 4.340 -0.000 0.000 0.197 148 Q C -0.681 175.185 176.000 -0.224 0.000 0.952 148 Q CA 0.792 56.272 55.803 -0.538 0.000 0.848 148 Q CB 0.165 28.507 28.738 -0.659 0.000 0.931 148 Q HN 0.734 nan 8.270 nan 0.000 0.470 149 D N 0.745 121.040 120.400 -0.176 0.000 2.280 149 D HA 0.109 4.749 4.640 -0.000 0.000 0.236 149 D C 0.323 176.589 176.300 -0.056 0.000 1.082 149 D CA -0.105 53.837 54.000 -0.096 0.000 0.834 149 D CB 1.437 42.186 40.800 -0.086 0.000 1.100 149 D HN 0.021 nan 8.370 nan 0.000 0.486 150 E N 1.737 121.918 120.200 -0.033 0.000 2.049 150 E HA -0.277 4.073 4.350 -0.000 0.000 0.198 150 E C 1.488 178.086 176.600 -0.004 0.000 1.007 150 E CA 1.398 57.791 56.400 -0.011 0.000 0.809 150 E CB 0.116 29.816 29.700 -0.000 0.000 0.749 150 E HN 0.648 nan 8.360 nan 0.000 0.450 151 E N 0.107 120.305 120.200 -0.003 0.000 2.267 151 E HA -0.177 4.173 4.350 -0.000 0.000 0.197 151 E C 1.603 178.205 176.600 0.005 0.000 0.998 151 E CA 1.774 58.179 56.400 0.008 0.000 0.830 151 E CB -0.180 29.525 29.700 0.009 0.000 0.751 151 E HN 0.263 nan 8.360 nan 0.000 0.491 152 T N -3.418 111.131 114.554 -0.008 0.000 2.964 152 T HA 0.263 4.613 4.350 -0.000 0.000 0.249 152 T C 1.847 176.542 174.700 -0.009 0.000 1.000 152 T CA 0.105 62.200 62.100 -0.008 0.000 0.992 152 T CB 0.494 69.352 68.868 -0.016 0.000 1.087 152 T HN 0.236 nan 8.240 nan 0.000 0.489 153 G N 1.817 110.608 108.800 -0.015 0.000 2.539 153 G HA2 0.069 4.029 3.960 -0.000 0.000 0.215 153 G HA3 0.069 4.029 3.960 -0.000 0.000 0.215 153 G C 0.569 175.472 174.900 0.006 0.000 1.141 153 G CA -0.323 44.772 45.100 -0.009 0.000 0.806 153 G HN 0.345 nan 8.290 nan 0.000 0.533 154 N N 0.956 119.660 118.700 0.006 0.000 2.441 154 N HA 0.200 4.940 4.740 -0.000 0.000 0.251 154 N C -0.395 175.125 175.510 0.016 0.000 1.242 154 N CA 0.502 53.560 53.050 0.015 0.000 0.898 154 N CB 0.781 39.278 38.487 0.016 0.000 1.100 154 N HN -0.125 nan 8.380 nan 0.000 0.443 155 T N 1.067 115.637 114.554 0.028 0.000 2.758 155 T HA 0.278 4.628 4.350 -0.000 0.000 0.285 155 T C 0.128 174.848 174.700 0.035 0.000 0.981 155 T CA -0.594 61.524 62.100 0.030 0.000 0.965 155 T CB 0.857 69.751 68.868 0.043 0.000 0.927 155 T HN 0.055 nan 8.240 nan 0.000 0.448 156 V N 5.297 125.215 119.914 0.007 0.000 2.470 156 V HA 0.059 4.179 4.120 -0.000 0.000 0.276 156 V C 1.257 177.362 176.094 0.018 0.000 1.040 156 V CA 0.163 62.458 62.300 -0.009 0.000 1.008 156 V CB 0.934 32.719 31.823 -0.062 0.000 0.990 156 V HN 0.833 nan 8.190 nan 0.000 0.477 157 V N 4.803 124.743 119.914 0.043 0.000 2.685 157 V HA 0.226 4.346 4.120 -0.000 0.000 0.244 157 V C 0.852 176.964 176.094 0.029 0.000 1.054 157 V CA 0.837 63.168 62.300 0.052 0.000 1.076 157 V CB -0.151 31.717 31.823 0.074 0.000 0.725 157 V HN 0.845 nan 8.190 nan 0.000 0.467 158 R N -0.295 120.223 120.500 0.030 0.000 2.594 158 R HA 0.512 4.852 4.340 -0.000 0.000 0.265 158 R C -1.124 175.202 176.300 0.043 0.000 1.070 158 R CA 0.067 56.192 56.100 0.041 0.000 0.909 158 R CB 2.138 32.477 30.300 0.065 0.000 1.243 158 R HN 0.332 nan 8.270 nan 0.000 0.455 159 T N -0.485 114.073 114.554 0.007 0.000 2.906 159 T HA 0.702 5.052 4.350 -0.000 0.000 0.295 159 T C -1.225 173.415 174.700 -0.101 0.000 1.075 159 T CA -0.689 61.379 62.100 -0.054 0.000 1.005 159 T CB 1.599 70.425 68.868 -0.070 0.000 1.136 159 T HN 0.345 nan 8.240 nan 0.000 0.498 160 F N 0.672 120.326 119.950 -0.493 0.000 2.561 160 F HA 0.665 5.192 4.527 -0.000 0.000 0.313 160 F C 0.327 175.915 175.800 -0.352 0.000 1.126 160 F CA 0.863 58.555 58.000 -0.514 0.000 0.918 160 F CB 1.314 39.758 39.000 -0.928 0.000 1.199 160 F HN 1.385 nan 8.300 nan 0.000 0.444 161 G N 4.137 112.241 108.800 -1.160 0.000 2.698 161 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.225 161 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.225 161 G C -1.382 173.225 174.900 -0.489 0.000 1.345 161 G CA -0.560 43.931 45.100 -1.016 0.000 0.871 161 G HN 1.061 nan 8.290 nan 0.000 0.540 162 N N 0.700 119.183 118.700 -0.361 0.000 2.415 162 N HA 0.432 5.172 4.740 -0.000 0.000 0.246 162 N C 1.326 176.635 175.510 -0.335 0.000 1.078 162 N CA 0.577 53.460 53.050 -0.278 0.000 0.942 162 N CB 0.664 39.032 38.487 -0.199 0.000 1.140 162 N HN 1.045 nan 8.380 nan 0.000 0.501 163 T N -1.089 113.171 114.554 -0.491 0.000 3.134 163 T HA 0.049 4.398 4.350 -0.000 0.000 0.260 163 T C 1.097 174.864 174.700 -1.556 0.000 1.027 163 T CA 0.299 61.779 62.100 -1.033 0.000 0.913 163 T CB -0.324 68.246 68.868 -0.497 0.000 1.046 163 T HN 0.443 nan 8.240 nan 0.000 0.553 164 T N -1.256 112.835 114.554 -0.773 0.000 3.003 164 T HA 0.250 4.599 4.350 -0.000 0.000 0.261 164 T C 0.610 175.258 174.700 -0.087 0.000 1.003 164 T CA -0.657 61.161 62.100 -0.469 0.000 0.917 164 T CB -0.218 68.493 68.868 -0.262 0.000 1.084 164 T HN 0.617 nan 8.240 nan 0.000 0.522 165 K N 1.765 122.155 120.400 -0.016 0.000 2.414 165 K HA 0.340 4.660 4.320 -0.000 0.000 0.272 165 K C -0.306 176.451 176.600 0.261 0.000 0.993 165 K CA -0.540 55.808 56.287 0.102 0.000 0.964 165 K CB 0.634 33.166 32.500 0.053 0.000 0.925 165 K HN -0.031 nan 8.250 nan 0.000 0.487 166 R N 0.579 121.159 120.500 0.133 0.000 2.873 166 R HA 0.697 5.037 4.340 -0.000 0.000 0.264 166 R C -0.797 175.523 176.300 0.035 0.000 1.026 166 R CA -0.948 55.211 56.100 0.099 0.000 1.002 166 R CB 1.920 32.264 30.300 0.073 0.000 1.174 166 R HN 0.891 nan 8.270 nan 0.000 0.488 167 A N 0.557 123.377 122.820 0.000 0.000 2.566 167 A HA 0.409 4.729 4.320 -0.000 0.000 0.292 167 A C 0.412 177.986 177.584 -0.018 0.000 1.112 167 A CA -0.596 51.434 52.037 -0.012 0.000 0.707 167 A CB 1.881 20.866 19.000 -0.025 0.000 1.302 167 A HN 0.661 nan 8.150 nan 0.000 0.409 168 K N -0.010 120.384 120.400 -0.010 0.000 1.995 168 K HA 0.187 4.506 4.320 -0.000 0.000 0.207 168 K C -0.104 176.478 176.600 -0.029 0.000 1.041 168 K CA 0.926 57.203 56.287 -0.017 0.000 0.942 168 K CB -0.182 32.313 32.500 -0.008 0.000 0.731 168 K HN 0.655 nan 8.250 nan 0.000 0.439 169 L N 2.926 124.139 121.223 -0.016 0.000 2.309 169 L HA 0.181 4.521 4.340 -0.000 0.000 0.282 169 L C -0.212 176.643 176.870 -0.024 0.000 1.036 169 L CA -1.163 53.658 54.840 -0.031 0.000 0.806 169 L CB 1.358 43.403 42.059 -0.023 0.000 1.220 169 L HN 0.342 nan 8.230 nan 0.000 0.429 170 N N -0.021 118.640 118.700 -0.065 0.000 2.381 170 N HA -0.020 4.720 4.740 -0.000 0.000 0.254 170 N C 0.768 176.238 175.510 -0.068 0.000 1.264 170 N CA -0.110 52.893 53.050 -0.079 0.000 0.942 170 N CB 0.247 38.626 38.487 -0.180 0.000 1.190 170 N HN 0.652 nan 8.380 nan 0.000 0.495 171 H N -1.729 117.367 119.070 0.044 0.000 2.421 171 H HA -0.032 4.524 4.556 -0.000 0.000 0.298 171 H C 1.208 176.563 175.328 0.044 0.000 1.087 171 H CA 1.434 57.523 56.048 0.069 0.000 1.330 171 H CB -0.503 29.340 29.762 0.135 0.000 1.388 171 H HN 0.220 nan 8.280 nan 0.000 0.526 172 V N 0.573 120.210 119.914 -0.461 0.000 2.307 172 V HA -0.245 3.875 4.120 -0.000 0.000 0.245 172 V C 2.466 178.501 176.094 -0.097 0.000 1.045 172 V CA 1.923 64.090 62.300 -0.222 0.000 1.024 172 V CB -0.637 31.013 31.823 -0.288 0.000 0.651 172 V HN 0.519 nan 8.190 nan 0.000 0.449 173 S N -0.074 115.555 115.700 -0.118 0.000 2.382 173 S HA -0.073 4.397 4.470 -0.000 0.000 0.228 173 S C 1.879 176.451 174.600 -0.047 0.000 1.027 173 S CA 1.500 59.648 58.200 -0.087 0.000 0.991 173 S CB -0.319 62.817 63.200 -0.106 0.000 0.823 173 S HN 0.493 nan 8.310 nan 0.000 0.469 174 I N 1.288 121.874 120.570 0.028 0.000 2.163 174 I HA -0.187 3.983 4.170 -0.000 0.000 0.240 174 I C 2.427 178.665 176.117 0.202 0.000 1.081 174 I CA 1.242 62.645 61.300 0.172 0.000 1.353 174 I CB -0.312 37.822 38.000 0.225 0.000 1.054 174 I HN 0.269 nan 8.210 nan 0.000 0.407 175 M N -0.021 119.660 119.600 0.136 0.000 2.213 175 M HA -0.211 4.269 4.480 -0.000 0.000 0.263 175 M C 2.240 178.597 176.300 0.096 0.000 1.062 175 M CA 1.546 56.919 55.300 0.122 0.000 1.105 175 M CB -0.422 32.242 32.600 0.107 0.000 1.385 175 M HN 0.174 nan 8.290 nan 0.000 0.417 176 E N 1.208 121.441 120.200 0.055 0.000 2.031 176 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 176 E C 1.791 178.410 176.600 0.031 0.000 0.994 176 E CA 1.813 58.229 56.400 0.028 0.000 0.800 176 E CB -0.138 29.554 29.700 -0.013 0.000 0.752 176 E HN 0.361 nan 8.360 nan 0.000 0.447 177 R N -0.252 120.249 120.500 0.002 0.000 2.189 177 R HA 0.048 4.388 4.340 -0.000 0.000 0.223 177 R C 2.478 178.900 176.300 0.202 0.000 1.092 177 R CA 1.020 57.097 56.100 -0.040 0.000 0.989 177 R CB -0.297 29.745 30.300 -0.429 0.000 0.876 177 R HN 0.266 nan 8.270 nan 0.000 0.457 178 L N -0.471 120.935 121.223 0.304 0.000 2.275 178 L HA -0.012 4.328 4.340 -0.000 0.000 0.215 178 L C 1.400 178.358 176.870 0.146 0.000 1.119 178 L CA 0.947 55.945 54.840 0.263 0.000 0.790 178 L CB -0.342 41.826 42.059 0.182 0.000 0.919 178 L HN 0.488 nan 8.230 nan 0.000 0.443 179 G N -0.329 108.537 108.800 0.110 0.000 2.153 179 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.252 179 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.252 179 G C 0.655 175.599 174.900 0.073 0.000 0.994 179 G CA 0.685 45.831 45.100 0.077 0.000 0.698 179 G HN 0.401 nan 8.290 nan 0.000 0.521 180 M N -0.832 118.817 119.600 0.081 0.000 2.346 180 M HA 0.487 4.967 4.480 -0.000 0.000 0.280 180 M C 0.627 176.981 176.300 0.090 0.000 1.075 180 M CA 0.248 55.594 55.300 0.077 0.000 0.989 180 M CB 0.717 33.359 32.600 0.071 0.000 1.447 180 M HN 0.335 nan 8.290 nan 0.000 0.511 181 M N 0.936 120.592 119.600 0.092 0.000 2.213 181 M HA 0.355 4.835 4.480 -0.000 0.000 0.286 181 M C -2.097 174.264 176.300 0.102 0.000 1.008 181 M CA -0.415 54.951 55.300 0.110 0.000 0.937 181 M CB 1.942 34.600 32.600 0.097 0.000 1.600 181 M HN -0.193 nan 8.290 nan 0.000 0.450 182 D N 3.132 123.604 120.400 0.120 0.000 2.425 182 D HA 0.393 5.033 4.640 -0.000 0.000 0.240 182 D C 0.037 176.414 176.300 0.128 0.000 1.080 182 D CA 0.058 54.118 54.000 0.100 0.000 0.836 182 D CB 1.686 42.534 40.800 0.081 0.000 1.125 182 D HN 0.728 nan 8.370 nan 0.000 0.525 183 T N -0.440 114.178 114.554 0.106 0.000 3.200 183 T HA 0.219 4.569 4.350 -0.000 0.000 0.284 183 T C 0.872 175.619 174.700 0.079 0.000 1.009 183 T CA -0.394 61.774 62.100 0.113 0.000 0.907 183 T CB -0.235 68.695 68.868 0.104 0.000 1.120 183 T HN 0.229 nan 8.240 nan 0.000 0.534 184 S N 1.262 117.000 115.700 0.064 0.000 2.640 184 S HA 0.358 4.828 4.470 -0.000 0.000 0.262 184 S C 1.296 175.926 174.600 0.050 0.000 1.232 184 S CA -0.808 57.420 58.200 0.048 0.000 0.988 184 S CB 0.877 64.100 63.200 0.039 0.000 1.034 184 S HN 0.219 nan 8.310 nan 0.000 0.569 185 K N 0.260 120.684 120.400 0.041 0.000 2.209 185 K HA -0.068 4.252 4.320 -0.000 0.000 0.204 185 K C 2.387 179.010 176.600 0.038 0.000 1.048 185 K CA 1.033 57.344 56.287 0.039 0.000 0.940 185 K CB -0.844 31.675 32.500 0.032 0.000 0.729 185 K HN 0.698 nan 8.250 nan 0.000 0.451 186 A N 0.983 123.825 122.820 0.036 0.000 1.958 186 A HA -0.173 4.147 4.320 -0.000 0.000 0.221 186 A C 2.263 179.870 177.584 0.037 0.000 1.178 186 A CA 1.843 53.900 52.037 0.034 0.000 0.642 186 A CB -0.412 18.608 19.000 0.033 0.000 0.816 186 A HN 0.106 nan 8.150 nan 0.000 0.453 187 V N -0.707 119.235 119.914 0.047 0.000 2.672 187 V HA -0.100 4.020 4.120 -0.000 0.000 0.242 187 V C 2.776 178.904 176.094 0.056 0.000 1.059 187 V CA 1.925 64.256 62.300 0.050 0.000 1.081 187 V CB -0.881 30.981 31.823 0.065 0.000 0.752 187 V HN 0.773 nan 8.190 nan 0.000 0.472 188 T N -0.684 113.909 114.554 0.065 0.000 2.951 188 T HA -0.132 4.217 4.350 -0.000 0.000 0.268 188 T C 1.866 176.602 174.700 0.060 0.000 1.073 188 T CA 1.509 63.653 62.100 0.074 0.000 1.134 188 T CB -0.429 68.487 68.868 0.080 0.000 0.884 188 T HN 0.554 nan 8.240 nan 0.000 0.479 189 S N 0.212 115.940 115.700 0.048 0.000 2.522 189 S HA 0.168 4.638 4.470 -0.000 0.000 0.227 189 S C 1.942 176.563 174.600 0.034 0.000 0.986 189 S CA 0.400 58.624 58.200 0.040 0.000 0.929 189 S CB -0.451 62.769 63.200 0.033 0.000 0.769 189 S HN 0.536 nan 8.310 nan 0.000 0.529 190 M N 0.885 120.506 119.600 0.034 0.000 2.412 190 M HA 0.374 4.854 4.480 -0.000 0.000 0.263 190 M C 1.691 178.007 176.300 0.026 0.000 1.122 190 M CA 1.365 56.681 55.300 0.027 0.000 1.179 190 M CB 0.137 32.751 32.600 0.024 0.000 1.335 190 M HN 0.417 nan 8.290 nan 0.000 0.465 191 A N -0.176 122.666 122.820 0.037 0.000 2.551 191 A HA 0.585 4.905 4.320 -0.000 0.000 0.252 191 A C 0.780 178.401 177.584 0.063 0.000 1.199 191 A CA 0.319 52.378 52.037 0.037 0.000 0.972 191 A CB -0.125 18.893 19.000 0.029 0.000 1.153 191 A HN 0.674 nan 8.150 nan 0.000 0.559 192 G N -1.013 107.832 108.800 0.075 0.000 2.757 192 G HA2 0.350 4.310 3.960 -0.000 0.000 0.638 192 G HA3 0.350 4.310 3.960 -0.000 0.000 0.638 192 G C 0.421 175.411 174.900 0.150 0.000 1.344 192 G CA -0.296 44.864 45.100 0.101 0.000 0.855 192 G HN 1.516 nan 8.290 nan 0.000 0.537 193 G N -1.115 107.791 108.800 0.178 0.000 2.414 193 G HA2 0.517 4.477 3.960 -0.000 0.000 0.236 193 G HA3 0.517 4.477 3.960 -0.000 0.000 0.236 193 G C 0.998 176.079 174.900 0.300 0.000 1.293 193 G CA 0.974 46.198 45.100 0.207 0.000 0.869 193 G HN 1.726 nan 8.290 nan 0.000 0.556 194 R N -1.042 119.568 120.500 0.185 0.000 3.989 194 R HA -0.211 4.129 4.340 -0.000 0.000 0.377 194 R C 1.040 177.497 176.300 0.262 0.000 1.158 194 R CA 0.956 57.138 56.100 0.136 0.000 1.035 194 R CB -2.304 27.926 30.300 -0.117 0.000 1.557 194 R HN 0.845 nan 8.270 nan 0.000 0.551 195 S N 0.342 116.202 115.700 0.268 0.000 2.601 195 S HA 0.561 5.031 4.470 -0.000 0.000 0.271 195 S C -0.205 174.552 174.600 0.262 0.000 1.305 195 S CA -0.391 57.949 58.200 0.234 0.000 1.022 195 S CB 1.064 64.346 63.200 0.136 0.000 0.940 195 S HN 0.347 nan 8.310 nan 0.000 0.525 196 Y N -1.932 118.420 120.300 0.087 0.000 2.597 196 Y HA 0.764 5.314 4.550 -0.000 0.000 0.340 196 Y C -1.572 174.367 175.900 0.065 0.000 1.097 196 Y CA -1.620 56.522 58.100 0.070 0.000 1.037 196 Y CB 0.664 39.165 38.460 0.067 0.000 1.305 196 Y HN 0.483 nan 8.280 nan 0.000 0.463 197 V N 3.965 123.968 119.914 0.148 0.000 2.495 197 V HA 0.483 4.603 4.120 -0.000 0.000 0.298 197 V C -0.338 175.876 176.094 0.200 0.000 1.031 197 V CA -0.787 61.564 62.300 0.085 0.000 0.871 197 V CB 1.564 33.423 31.823 0.059 0.000 0.988 197 V HN 0.751 nan 8.190 nan 0.000 0.432 198 L N 5.058 126.396 121.223 0.192 0.000 2.325 198 L HA 0.662 5.002 4.340 -0.000 0.000 0.278 198 L C -0.101 176.832 176.870 0.104 0.000 1.023 198 L CA -0.606 54.339 54.840 0.175 0.000 0.811 198 L CB 1.685 43.867 42.059 0.205 0.000 1.249 198 L HN 0.549 nan 8.230 nan 0.000 0.431 199 K N 0.694 121.147 120.400 0.088 0.000 2.443 199 K HA 0.704 5.024 4.320 -0.000 0.000 0.251 199 K C 0.160 176.794 176.600 0.056 0.000 0.972 199 K CA -0.274 56.051 56.287 0.064 0.000 0.833 199 K CB 2.208 34.742 32.500 0.057 0.000 1.317 199 K HN 0.735 nan 8.250 nan 0.000 0.441 200 G N 0.800 109.627 108.800 0.044 0.000 2.583 200 G HA2 -0.387 3.573 3.960 -0.000 0.000 0.292 200 G HA3 -0.387 3.573 3.960 -0.000 0.000 0.292 200 G C 0.914 175.833 174.900 0.032 0.000 1.203 200 G CA 0.299 45.420 45.100 0.035 0.000 0.987 200 G HN 0.796 nan 8.290 nan 0.000 0.554 201 G N -0.275 108.540 108.800 0.024 0.000 2.462 201 G HA2 0.078 4.038 3.960 -0.000 0.000 0.220 201 G HA3 0.078 4.038 3.960 -0.000 0.000 0.220 201 G C 1.922 176.834 174.900 0.018 0.000 1.121 201 G CA 1.457 46.565 45.100 0.013 0.000 0.758 201 G HN 0.713 nan 8.290 nan 0.000 0.559 202 L N 0.184 121.427 121.223 0.033 0.000 2.156 202 L HA -0.038 4.302 4.340 -0.000 0.000 0.208 202 L C 2.918 179.819 176.870 0.052 0.000 1.095 202 L CA 0.280 55.145 54.840 0.042 0.000 0.770 202 L CB -0.299 41.795 42.059 0.059 0.000 0.914 202 L HN 0.094 nan 8.230 nan 0.000 0.439 203 V N -0.434 119.514 119.914 0.058 0.000 2.427 203 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 203 V C 2.400 178.524 176.094 0.049 0.000 1.051 203 V CA 1.564 63.900 62.300 0.061 0.000 1.048 203 V CB -0.577 31.281 31.823 0.058 0.000 0.666 203 V HN 0.498 nan 8.190 nan 0.000 0.456 204 Q N -0.605 119.219 119.800 0.039 0.000 2.084 204 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 204 Q C 2.290 178.310 176.000 0.034 0.000 0.978 204 Q CA 1.679 57.503 55.803 0.036 0.000 0.844 204 Q CB -0.311 28.442 28.738 0.025 0.000 0.898 204 Q HN 0.532 nan 8.270 nan 0.000 0.426 205 L N 0.983 122.218 121.223 0.020 0.000 2.056 205 L HA -0.218 4.122 4.340 -0.000 0.000 0.207 205 L C 2.442 179.325 176.870 0.021 0.000 1.078 205 L CA 1.873 56.716 54.840 0.005 0.000 0.749 205 L CB -0.646 41.404 42.059 -0.015 0.000 0.901 205 L HN 0.219 nan 8.230 nan 0.000 0.433 206 Q N -0.815 119.007 119.800 0.038 0.000 2.030 206 Q HA -0.208 4.132 4.340 -0.000 0.000 0.204 206 Q C 2.036 178.069 176.000 0.055 0.000 0.986 206 Q CA 2.909 58.742 55.803 0.051 0.000 0.843 206 Q CB -0.210 28.570 28.738 0.070 0.000 0.904 206 Q HN 0.444 nan 8.270 nan 0.000 0.420 207 V N 1.195 121.144 119.914 0.059 0.000 2.343 207 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 207 V C 2.466 178.609 176.094 0.082 0.000 1.051 207 V CA 1.699 64.040 62.300 0.069 0.000 1.036 207 V CB -1.175 30.690 31.823 0.069 0.000 0.654 207 V HN 0.543 nan 8.190 nan 0.000 0.451 208 A N -0.144 122.725 122.820 0.081 0.000 1.908 208 A HA -0.185 4.135 4.320 -0.000 0.000 0.218 208 A C 2.233 179.826 177.584 0.015 0.000 1.181 208 A CA 1.917 54.013 52.037 0.098 0.000 0.627 208 A CB -0.561 18.488 19.000 0.082 0.000 0.818 208 A HN 0.499 nan 8.150 nan 0.000 0.445 209 L N -0.661 120.581 121.223 0.031 0.000 2.046 209 L HA -0.158 4.182 4.340 -0.000 0.000 0.208 209 L C 2.553 179.461 176.870 0.063 0.000 1.077 209 L CA 1.012 55.895 54.840 0.072 0.000 0.747 209 L CB -0.492 41.614 42.059 0.078 0.000 0.896 209 L HN 0.255 nan 8.230 nan 0.000 0.432 210 V N -1.121 118.818 119.914 0.042 0.000 2.287 210 V HA -0.327 3.792 4.120 -0.000 0.000 0.248 210 V C 2.665 178.768 176.094 0.016 0.000 1.053 210 V CA 2.191 64.508 62.300 0.028 0.000 1.027 210 V CB -0.450 31.401 31.823 0.045 0.000 0.646 210 V HN 0.476 nan 8.190 nan 0.000 0.447 211 S N -1.460 114.259 115.700 0.032 0.000 2.371 211 S HA -0.208 4.262 4.470 -0.000 0.000 0.224 211 S C 2.028 176.569 174.600 -0.098 0.000 1.029 211 S CA 1.550 59.787 58.200 0.061 0.000 0.978 211 S CB -0.440 62.898 63.200 0.231 0.000 0.833 211 S HN 0.648 nan 8.310 nan 0.000 0.466 212 Y N 2.227 122.173 120.300 -0.591 0.000 2.181 212 Y HA -0.062 4.488 4.550 -0.000 0.000 0.288 212 Y C 2.536 178.368 175.900 -0.112 0.000 1.146 212 Y CA 1.869 59.524 58.100 -0.742 0.000 1.164 212 Y CB -0.866 37.115 38.460 -0.797 0.000 0.982 212 Y HN 0.277 nan 8.280 nan 0.000 0.515 213 S N 0.311 115.931 115.700 -0.133 0.000 2.368 213 S HA -0.189 4.281 4.470 -0.000 0.000 0.225 213 S C 1.926 176.424 174.600 -0.169 0.000 1.030 213 S CA 1.435 59.503 58.200 -0.219 0.000 0.999 213 S CB -0.733 62.318 63.200 -0.249 0.000 0.844 213 S HN 0.477 nan 8.310 nan 0.000 0.459 214 L N 2.022 123.191 121.223 -0.089 0.000 2.027 214 L HA -0.107 4.233 4.340 -0.000 0.000 0.206 214 L C 1.588 178.455 176.870 -0.005 0.000 1.074 214 L CA 1.807 56.630 54.840 -0.029 0.000 0.745 214 L CB -0.623 41.449 42.059 0.021 0.000 0.898 214 L HN 0.081 nan 8.230 nan 0.000 0.433 215 D N -0.938 119.466 120.400 0.008 0.000 2.117 215 D HA -0.247 4.393 4.640 -0.000 0.000 0.197 215 D C 2.010 178.309 176.300 -0.002 0.000 0.987 215 D CA 1.409 55.438 54.000 0.049 0.000 0.829 215 D CB -0.367 40.533 40.800 0.167 0.000 0.961 215 D HN 0.364 nan 8.370 nan 0.000 0.460 216 F N 0.942 120.732 119.950 -0.267 0.000 2.120 216 F HA -0.163 4.364 4.527 -0.000 0.000 0.300 216 F C 2.072 177.770 175.800 -0.171 0.000 1.095 216 F CA 1.280 59.118 58.000 -0.270 0.000 1.249 216 F CB -0.055 38.708 39.000 -0.395 0.000 0.995 216 F HN -0.071 nan 8.300 nan 0.000 0.480 217 L N -1.408 119.794 121.223 -0.035 0.000 2.209 217 L HA -0.124 4.216 4.340 -0.000 0.000 0.207 217 L C 2.295 179.184 176.870 0.032 0.000 1.094 217 L CA 0.370 55.123 54.840 -0.144 0.000 0.790 217 L CB -0.650 41.209 42.059 -0.333 0.000 0.932 217 L HN -0.051 nan 8.230 nan 0.000 0.447 218 V N 0.392 120.327 119.914 0.035 0.000 2.287 218 V HA -0.319 3.801 4.120 -0.000 0.000 0.248 218 V C 2.404 178.519 176.094 0.035 0.000 1.053 218 V CA 1.826 64.164 62.300 0.064 0.000 1.027 218 V CB -0.538 31.319 31.823 0.057 0.000 0.646 218 V HN 0.431 nan 8.190 nan 0.000 0.447 219 K N -0.316 120.071 120.400 -0.022 0.000 2.281 219 K HA -0.123 4.197 4.320 -0.000 0.000 0.203 219 K C 1.947 178.513 176.600 -0.057 0.000 1.046 219 K CA 1.106 57.359 56.287 -0.055 0.000 0.938 219 K CB -0.167 32.263 32.500 -0.117 0.000 0.737 219 K HN 0.401 nan 8.250 nan 0.000 0.458 220 R N -0.563 119.922 120.500 -0.025 0.000 2.388 220 R HA 0.069 4.409 4.340 -0.000 0.000 0.247 220 R C 0.541 176.912 176.300 0.118 0.000 0.931 220 R CA 0.379 56.508 56.100 0.048 0.000 1.082 220 R CB 0.817 31.163 30.300 0.077 0.000 1.135 220 R HN 0.314 nan 8.270 nan 0.000 0.525 221 G N 0.202 109.052 108.800 0.084 0.000 2.132 221 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.234 221 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.234 221 G C -0.281 174.583 174.900 -0.060 0.000 0.989 221 G CA -0.359 44.736 45.100 -0.009 0.000 0.676 221 G HN 0.319 nan 8.290 nan 0.000 0.522 222 Y N 0.769 121.042 120.300 -0.045 0.000 2.299 222 Y HA 0.519 5.069 4.550 -0.000 0.000 0.326 222 Y C 1.204 177.104 175.900 -0.001 0.000 1.164 222 Y CA -0.111 57.969 58.100 -0.034 0.000 1.234 222 Y CB 1.362 39.822 38.460 0.000 0.000 1.219 222 Y HN 0.055 nan 8.280 nan 0.000 0.497 223 T N 6.095 120.727 114.554 0.131 0.000 2.728 223 T HA 0.229 4.579 4.350 -0.000 0.000 0.296 223 T C -2.500 172.373 174.700 0.289 0.000 0.940 223 T CA -1.602 60.595 62.100 0.162 0.000 1.013 223 T CB 0.656 69.597 68.868 0.122 0.000 0.912 223 T HN 0.253 nan 8.240 nan 0.000 0.484 224 P HA 0.193 nan 4.420 nan 0.000 0.265 224 P C -0.963 176.524 177.300 0.313 0.000 1.187 224 P CA -0.129 63.113 63.100 0.236 0.000 0.766 224 P CB 0.251 32.038 31.700 0.145 0.000 0.820 225 F N 3.905 123.935 119.950 0.133 0.000 2.730 225 F HA 0.360 4.887 4.527 -0.000 0.000 0.335 225 F C -1.727 174.114 175.800 0.068 0.000 1.212 225 F CA -0.937 57.098 58.000 0.058 0.000 1.016 225 F CB 0.888 39.879 39.000 -0.014 0.000 1.290 225 F HN 0.170 nan 8.300 nan 0.000 0.495 226 Y N 8.802 129.083 120.300 -0.032 0.000 2.369 226 Y HA 0.636 5.186 4.550 -0.000 0.000 0.337 226 Y C -2.531 173.338 175.900 -0.052 0.000 0.961 226 Y CA -2.385 55.729 58.100 0.024 0.000 1.186 226 Y CB 0.824 39.257 38.460 -0.044 0.000 1.139 226 Y HN 0.428 nan 8.280 nan 0.000 0.494 227 P HA 0.408 nan 4.420 nan 0.000 0.283 227 P C -2.957 174.105 177.300 -0.397 0.000 1.278 227 P CA -2.224 60.772 63.100 -0.174 0.000 0.834 227 P CB 1.155 32.907 31.700 0.087 0.000 1.150 228 P HA 0.074 nan 4.420 nan 0.000 0.268 228 P C 0.170 177.453 177.300 -0.029 0.000 1.205 228 P CA 0.118 63.068 63.100 -0.251 0.000 0.771 228 P CB 0.129 31.763 31.700 -0.109 0.000 0.858 229 F N 0.159 119.895 119.950 -0.357 0.000 2.765 229 F HA 0.237 4.764 4.527 -0.000 0.000 0.302 229 F C 0.659 176.405 175.800 -0.090 0.000 1.111 229 F CA -0.181 57.689 58.000 -0.217 0.000 1.359 229 F CB -0.724 38.166 39.000 -0.183 0.000 1.097 229 F HN 0.066 nan 8.300 nan 0.000 0.577 230 F N 0.617 120.643 119.950 0.127 0.000 2.480 230 F HA 0.613 5.140 4.527 -0.000 0.000 0.329 230 F C -0.115 175.741 175.800 0.093 0.000 1.091 230 F CA -2.013 56.032 58.000 0.075 0.000 0.972 230 F CB 1.147 40.162 39.000 0.026 0.000 1.150 230 F HN -0.396 nan 8.300 nan 0.000 0.467 231 L N 2.743 124.164 121.223 0.331 0.000 2.408 231 L HA 0.423 4.763 4.340 -0.000 0.000 0.268 231 L C -0.553 176.481 176.870 0.274 0.000 0.986 231 L CA -1.188 53.803 54.840 0.253 0.000 0.820 231 L CB 2.193 44.373 42.059 0.202 0.000 1.303 231 L HN 0.661 nan 8.230 nan 0.000 0.411 232 N N 0.921 119.748 118.700 0.211 0.000 2.399 232 N HA 0.084 4.824 4.740 -0.000 0.000 0.250 232 N C 0.696 176.376 175.510 0.284 0.000 1.272 232 N CA -0.636 52.536 53.050 0.204 0.000 0.928 232 N CB 0.633 39.193 38.487 0.121 0.000 1.158 232 N HN 0.483 nan 8.380 nan 0.000 0.463 233 R N 0.416 121.102 120.500 0.310 0.000 2.094 233 R HA -0.212 4.128 4.340 -0.000 0.000 0.239 233 R C 1.263 177.654 176.300 0.152 0.000 1.137 233 R CA 2.096 58.377 56.100 0.301 0.000 0.943 233 R CB -1.159 29.274 30.300 0.220 0.000 0.850 233 R HN 0.900 nan 8.270 nan 0.000 0.433 234 D N -1.131 119.332 120.400 0.105 0.000 2.106 234 D HA -0.139 4.501 4.640 -0.000 0.000 0.191 234 D C 1.759 178.109 176.300 0.084 0.000 0.997 234 D CA 1.970 56.010 54.000 0.068 0.000 0.834 234 D CB 0.065 40.897 40.800 0.054 0.000 0.956 234 D HN 0.142 nan 8.370 nan 0.000 0.448 235 V N 0.050 120.027 119.914 0.105 0.000 2.379 235 V HA -0.172 3.948 4.120 -0.000 0.000 0.245 235 V C 2.308 178.468 176.094 0.111 0.000 1.044 235 V CA 1.557 63.916 62.300 0.099 0.000 1.036 235 V CB -0.505 31.378 31.823 0.101 0.000 0.664 235 V HN 0.292 nan 8.190 nan 0.000 0.453 236 M N 1.897 121.587 119.600 0.150 0.000 2.149 236 M HA -0.090 4.390 4.480 -0.000 0.000 0.261 236 M C 1.899 178.292 176.300 0.155 0.000 1.064 236 M CA 2.156 57.532 55.300 0.127 0.000 1.102 236 M CB -1.201 31.479 32.600 0.132 0.000 1.369 236 M HN 0.277 nan 8.290 nan 0.000 0.408 237 G N -1.054 107.894 108.800 0.247 0.000 2.509 237 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.218 237 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.218 237 G C 1.361 176.325 174.900 0.106 0.000 1.124 237 G CA 0.726 45.962 45.100 0.227 0.000 0.776 237 G HN 0.630 nan 8.290 nan 0.000 0.547 238 E N -0.480 119.763 120.200 0.072 0.000 2.299 238 E HA 0.017 4.367 4.350 -0.000 0.000 0.193 238 E C 2.261 178.885 176.600 0.041 0.000 0.998 238 E CA 0.870 57.292 56.400 0.037 0.000 0.851 238 E CB 0.273 29.993 29.700 0.034 0.000 0.795 238 E HN 0.475 nan 8.360 nan 0.000 0.492 239 V N -3.379 116.565 119.914 0.050 0.000 3.477 239 V HA 0.562 4.682 4.120 -0.000 0.000 0.297 239 V C 0.248 176.351 176.094 0.015 0.000 1.433 239 V CA -0.133 62.195 62.300 0.046 0.000 1.052 239 V CB 0.518 32.368 31.823 0.045 0.000 0.895 239 V HN 0.051 nan 8.190 nan 0.000 0.438 240 A N -0.133 122.684 122.820 -0.004 0.000 2.498 240 A HA 0.775 5.095 4.320 -0.000 0.000 0.298 240 A C -0.642 176.958 177.584 0.028 0.000 1.075 240 A CA -0.758 51.239 52.037 -0.066 0.000 0.714 240 A CB 1.687 20.500 19.000 -0.311 0.000 1.299 240 A HN 0.374 nan 8.150 nan 0.000 0.407 241 Q N 0.262 120.077 119.800 0.025 0.000 2.256 241 Q HA 0.378 4.718 4.340 -0.000 0.000 0.232 241 Q C 0.661 176.753 176.000 0.153 0.000 0.965 241 Q CA -0.623 55.234 55.803 0.090 0.000 0.908 241 Q CB 1.210 29.993 28.738 0.075 0.000 1.209 241 Q HN 0.729 nan 8.270 nan 0.000 0.489 242 L N 0.637 121.975 121.223 0.191 0.000 2.127 242 L HA -0.248 4.091 4.340 -0.000 0.000 0.211 242 L C 2.458 179.454 176.870 0.209 0.000 1.089 242 L CA 1.555 56.549 54.840 0.257 0.000 0.757 242 L CB -0.539 41.582 42.059 0.102 0.000 0.899 242 L HN 0.727 nan 8.230 nan 0.000 0.434 243 S N -0.849 114.915 115.700 0.107 0.000 2.423 243 S HA -0.215 4.255 4.470 -0.000 0.000 0.231 243 S C 1.807 176.427 174.600 0.034 0.000 1.014 243 S CA 0.816 59.055 58.200 0.065 0.000 0.965 243 S CB -0.222 63.002 63.200 0.040 0.000 0.785 243 S HN 0.508 nan 8.310 nan 0.000 0.495 244 Q N -0.219 119.569 119.800 -0.020 0.000 2.172 244 Q HA 0.053 4.393 4.340 -0.000 0.000 0.200 244 Q C 1.624 177.516 176.000 -0.179 0.000 0.964 244 Q CA 1.353 57.080 55.803 -0.126 0.000 0.855 244 Q CB -0.373 28.230 28.738 -0.224 0.000 0.918 244 Q HN 0.640 nan 8.270 nan 0.000 0.444 245 F N 0.941 120.848 119.950 -0.072 0.000 2.171 245 F HA -0.202 4.324 4.527 -0.000 0.000 0.300 245 F C 1.944 177.734 175.800 -0.017 0.000 1.090 245 F CA 1.418 59.368 58.000 -0.084 0.000 1.293 245 F CB -0.195 38.726 39.000 -0.132 0.000 1.013 245 F HN 0.080 nan 8.300 nan 0.000 0.486 246 D N -0.402 120.093 120.400 0.158 0.000 2.123 246 D HA -0.107 4.533 4.640 -0.000 0.000 0.200 246 D C 1.840 178.166 176.300 0.042 0.000 0.976 246 D CA 1.293 55.349 54.000 0.093 0.000 0.831 246 D CB 0.050 40.894 40.800 0.073 0.000 0.974 246 D HN 0.282 nan 8.370 nan 0.000 0.469 247 E N -0.943 119.270 120.200 0.021 0.000 2.389 247 E HA 0.085 4.435 4.350 -0.000 0.000 0.199 247 E C 1.386 177.974 176.600 -0.019 0.000 0.978 247 E CA 0.160 56.563 56.400 0.005 0.000 0.912 247 E CB 0.618 30.326 29.700 0.014 0.000 0.907 247 E HN 0.240 nan 8.360 nan 0.000 0.494 248 E N -0.164 120.010 120.200 -0.043 0.000 2.399 248 E HA 0.131 4.481 4.350 -0.000 0.000 0.206 248 E C -0.174 176.381 176.600 -0.075 0.000 0.812 248 E CA -0.018 56.353 56.400 -0.047 0.000 1.138 248 E CB 0.732 30.410 29.700 -0.037 0.000 1.140 248 E HN 0.019 nan 8.360 nan 0.000 0.536 249 L N 2.608 123.788 121.223 -0.071 0.000 2.264 249 L HA 0.365 4.705 4.340 -0.000 0.000 0.289 249 L C -0.751 176.188 176.870 0.115 0.000 1.044 249 L CA -0.903 53.956 54.840 0.031 0.000 0.807 249 L CB 0.695 42.724 42.059 -0.051 0.000 1.192 249 L HN 0.110 nan 8.230 nan 0.000 0.425 250 Y N 1.954 122.351 120.300 0.161 0.000 2.411 250 Y HA 0.087 4.637 4.550 -0.000 0.000 0.333 250 Y C 0.661 176.616 175.900 0.090 0.000 1.186 250 Y CA 0.165 58.327 58.100 0.103 0.000 1.381 250 Y CB 0.501 38.974 38.460 0.022 0.000 1.273 250 Y HN 0.519 nan 8.280 nan 0.000 0.546 251 Q N 3.027 122.911 119.800 0.139 0.000 2.243 251 Q HA 0.550 4.890 4.340 -0.000 0.000 0.252 251 Q C -1.356 174.537 176.000 -0.178 0.000 0.909 251 Q CA -0.904 54.776 55.803 -0.205 0.000 0.922 251 Q CB 1.131 29.741 28.738 -0.214 0.000 1.215 251 Q HN 0.633 nan 8.270 nan 0.000 0.427 252 V N 1.023 120.754 119.914 -0.306 0.000 2.495 252 V HA 0.865 4.985 4.120 -0.000 0.000 0.298 252 V C -0.428 175.470 176.094 -0.326 0.000 1.031 252 V CA -0.494 61.621 62.300 -0.307 0.000 0.871 252 V CB 1.182 32.754 31.823 -0.418 0.000 0.988 252 V HN 0.841 nan 8.190 nan 0.000 0.432 253 S N 2.027 117.579 115.700 -0.247 0.000 2.720 253 S HA 1.000 5.470 4.470 -0.000 0.000 0.287 253 S C 0.531 175.033 174.600 -0.165 0.000 1.168 253 S CA 0.157 58.234 58.200 -0.204 0.000 0.832 253 S CB 1.484 64.593 63.200 -0.151 0.000 1.166 253 S HN 2.511 nan 8.310 nan 0.000 0.493 254 G N 0.207 108.931 108.800 -0.127 0.000 2.481 254 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.200 254 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.200 254 G C -0.472 174.379 174.900 -0.082 0.000 1.012 254 G CA 0.159 45.203 45.100 -0.092 0.000 0.676 254 G HN 1.131 nan 8.290 nan 0.000 0.488 255 D N -0.322 120.015 120.400 -0.105 0.000 2.575 255 D HA 0.602 5.242 4.640 -0.000 0.000 0.250 255 D C 0.764 177.011 176.300 -0.088 0.000 1.279 255 D CA 1.203 55.155 54.000 -0.080 0.000 0.925 255 D CB 0.770 41.530 40.800 -0.067 0.000 1.261 255 D HN 1.488 nan 8.370 nan 0.000 0.567 256 G N 3.863 112.628 108.800 -0.059 0.000 2.553 256 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.242 256 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.242 256 G C -0.298 174.566 174.900 -0.061 0.000 1.277 256 G CA 0.000 45.071 45.100 -0.050 0.000 0.910 256 G HN 0.807 nan 8.290 nan 0.000 0.576 257 D N 0.701 121.069 120.400 -0.053 0.000 2.411 257 D HA 0.497 5.137 4.640 -0.000 0.000 0.251 257 D C 0.886 177.129 176.300 -0.096 0.000 1.201 257 D CA -0.096 53.871 54.000 -0.055 0.000 0.996 257 D CB 0.404 41.189 40.800 -0.024 0.000 1.101 257 D HN 0.912 nan 8.370 nan 0.000 0.504 258 K N -0.283 120.055 120.400 -0.103 0.000 2.436 258 K HA 0.206 4.526 4.320 -0.000 0.000 0.275 258 K C -0.422 176.060 176.600 -0.197 0.000 0.999 258 K CA -0.128 56.049 56.287 -0.184 0.000 0.980 258 K CB 0.551 32.939 32.500 -0.186 0.000 0.919 258 K HN 0.364 nan 8.250 nan 0.000 0.484 259 K N 1.652 121.852 120.400 -0.334 0.000 2.409 259 K HA 0.395 4.715 4.320 -0.000 0.000 0.252 259 K C -1.412 174.923 176.600 -0.442 0.000 1.036 259 K CA -0.883 55.270 56.287 -0.225 0.000 0.871 259 K CB 1.417 33.773 32.500 -0.239 0.000 1.374 259 K HN 0.458 nan 8.250 nan 0.000 0.459 260 Y N 0.362 120.711 120.300 0.081 0.000 2.462 260 Y HA 0.377 4.927 4.550 -0.000 0.000 0.346 260 Y C -0.309 175.678 175.900 0.145 0.000 0.976 260 Y CA -0.996 57.173 58.100 0.115 0.000 1.044 260 Y CB 1.257 39.805 38.460 0.145 0.000 1.230 260 Y HN 0.190 nan 8.280 nan 0.000 0.455 261 L N 4.689 126.065 121.223 0.255 0.000 2.416 261 L HA 0.270 4.610 4.340 -0.000 0.000 0.272 261 L C 0.310 177.325 176.870 0.242 0.000 1.161 261 L CA -0.431 54.522 54.840 0.188 0.000 0.845 261 L CB 0.399 42.413 42.059 -0.074 0.000 1.119 261 L HN 0.574 nan 8.230 nan 0.000 0.464 262 I N 0.240 120.947 120.570 0.229 0.000 2.634 262 I HA 0.225 4.395 4.170 -0.000 0.000 0.284 262 I C 0.963 177.158 176.117 0.131 0.000 1.124 262 I CA -0.115 61.271 61.300 0.143 0.000 1.417 262 I CB 1.124 39.169 38.000 0.075 0.000 1.396 262 I HN 0.704 nan 8.210 nan 0.000 0.571 263 A N 4.087 126.934 122.820 0.045 0.000 2.195 263 A HA 0.256 4.576 4.320 -0.000 0.000 0.210 263 A C 0.962 178.495 177.584 -0.085 0.000 1.165 263 A CA 0.884 52.925 52.037 0.007 0.000 0.806 263 A CB -0.066 18.948 19.000 0.022 0.000 0.847 263 A HN 0.907 nan 8.150 nan 0.000 0.482 264 T N -2.330 112.170 114.554 -0.091 0.000 2.977 264 T HA 0.280 4.630 4.350 -0.000 0.000 0.345 264 T C 0.800 175.442 174.700 -0.097 0.000 1.562 264 T CA 0.374 62.410 62.100 -0.106 0.000 1.090 264 T CB 0.760 69.607 68.868 -0.035 0.000 1.383 264 T HN 0.488 nan 8.240 nan 0.000 0.484 265 S N 1.954 117.587 115.700 -0.112 0.000 2.469 265 S HA -0.106 4.364 4.470 -0.000 0.000 0.238 265 S C 1.611 176.124 174.600 -0.144 0.000 0.998 265 S CA 1.259 59.393 58.200 -0.111 0.000 0.957 265 S CB -0.399 62.748 63.200 -0.089 0.000 0.764 265 S HN 0.781 nan 8.310 nan 0.000 0.514 266 E N 1.913 122.083 120.200 -0.050 0.000 2.130 266 E HA -0.226 4.124 4.350 -0.000 0.000 0.196 266 E C 1.791 178.360 176.600 -0.052 0.000 0.998 266 E CA 1.545 57.970 56.400 0.041 0.000 0.806 266 E CB -0.363 29.436 29.700 0.166 0.000 0.738 266 E HN 0.681 nan 8.360 nan 0.000 0.459 267 M N 0.479 120.052 119.600 -0.044 0.000 2.064 267 M HA -0.105 4.375 4.480 -0.000 0.000 0.260 267 M C -0.592 175.671 176.300 -0.062 0.000 1.073 267 M CA 2.326 57.608 55.300 -0.030 0.000 1.124 267 M CB -1.151 31.440 32.600 -0.015 0.000 1.326 267 M HN 0.070 nan 8.290 nan 0.000 0.410 268 P HA -0.075 nan 4.420 nan 0.000 0.221 268 P C 1.418 178.605 177.300 -0.187 0.000 1.150 268 P CA 1.427 64.497 63.100 -0.051 0.000 0.800 268 P CB -0.254 31.450 31.700 0.006 0.000 0.787 269 I N 0.155 120.424 120.570 -0.501 0.000 2.202 269 I HA -0.198 3.972 4.170 -0.000 0.000 0.242 269 I C 2.619 178.371 176.117 -0.607 0.000 1.091 269 I CA 1.360 62.081 61.300 -0.965 0.000 1.368 269 I CB -0.909 36.176 38.000 -1.525 0.000 1.058 269 I HN -0.094 nan 8.210 nan 0.000 0.410 270 A N 0.954 123.463 122.820 -0.518 0.000 1.883 270 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 270 A C 2.545 180.189 177.584 0.101 0.000 1.186 270 A CA 2.113 54.119 52.037 -0.052 0.000 0.624 270 A CB -0.956 18.121 19.000 0.128 0.000 0.822 270 A HN 0.438 nan 8.150 nan 0.000 0.444 271 A N -1.913 120.939 122.820 0.053 0.000 1.972 271 A HA -0.131 4.189 4.320 -0.000 0.000 0.219 271 A C 2.090 179.749 177.584 0.125 0.000 1.169 271 A CA 1.631 53.723 52.037 0.092 0.000 0.635 271 A CB -0.800 18.248 19.000 0.080 0.000 0.810 271 A HN 0.721 nan 8.150 nan 0.000 0.446 272 Y N 0.491 120.768 120.300 -0.037 0.000 2.384 272 Y HA -0.232 4.317 4.550 -0.000 0.000 0.289 272 Y C 1.769 177.572 175.900 -0.162 0.000 1.152 272 Y CA 2.059 60.108 58.100 -0.086 0.000 1.258 272 Y CB -0.400 37.990 38.460 -0.117 0.000 0.979 272 Y HN 0.568 nan 8.280 nan 0.000 0.549 273 H N 0.046 119.159 119.070 0.072 0.000 2.526 273 H HA 0.162 4.718 4.556 -0.000 0.000 0.274 273 H C 0.318 175.692 175.328 0.076 0.000 0.999 273 H CA -0.064 56.048 56.048 0.106 0.000 1.157 273 H CB -0.108 29.798 29.762 0.241 0.000 1.407 273 H HN 0.187 nan 8.280 nan 0.000 0.568 274 R N 0.346 120.907 120.500 0.101 0.000 2.489 274 R HA 0.224 4.564 4.340 -0.000 0.000 0.287 274 R C 0.712 177.040 176.300 0.047 0.000 1.053 274 R CA 0.685 56.835 56.100 0.083 0.000 1.036 274 R CB 0.261 30.598 30.300 0.062 0.000 0.966 274 R HN 0.311 nan 8.270 nan 0.000 0.432 275 G N 2.200 111.039 108.800 0.066 0.000 2.189 275 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.267 275 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.267 275 G C 0.218 175.144 174.900 0.043 0.000 0.975 275 G CA 0.421 45.555 45.100 0.057 0.000 0.644 275 G HN 0.690 nan 8.290 nan 0.000 0.537 276 R N -1.290 119.222 120.500 0.020 0.000 2.726 276 R HA 0.448 4.788 4.340 -0.000 0.000 0.272 276 R C -0.380 175.881 176.300 -0.066 0.000 1.097 276 R CA 0.047 56.083 56.100 -0.107 0.000 1.198 276 R CB 0.547 30.728 30.300 -0.199 0.000 1.114 276 R HN 0.249 nan 8.270 nan 0.000 0.550 277 W N 2.452 123.463 121.300 -0.482 0.000 2.957 277 W HA 0.276 4.936 4.660 -0.000 0.000 0.327 277 W C -2.119 174.136 176.519 -0.440 0.000 1.039 277 W CA -1.424 55.742 57.345 -0.298 0.000 1.257 277 W CB 0.620 29.976 29.460 -0.174 0.000 1.238 277 W HN 0.399 nan 8.180 nan 0.000 0.406 278 F N 4.010 124.180 119.950 0.367 0.000 2.391 278 F HA 0.192 4.719 4.527 -0.000 0.000 0.359 278 F C 1.925 177.766 175.800 0.068 0.000 1.122 278 F CA -0.004 58.123 58.000 0.213 0.000 1.120 278 F CB 1.341 40.478 39.000 0.229 0.000 1.142 278 F HN 0.241 nan 8.300 nan 0.000 0.483 279 T N -1.369 113.256 114.554 0.117 0.000 2.904 279 T HA 0.003 4.353 4.350 -0.000 0.000 0.267 279 T C 0.440 174.957 174.700 -0.305 0.000 1.059 279 T CA 0.773 62.826 62.100 -0.077 0.000 1.137 279 T CB 0.090 68.909 68.868 -0.081 0.000 0.879 279 T HN 0.571 nan 8.240 nan 0.000 0.467 280 E N -0.517 119.612 120.200 -0.119 0.000 2.343 280 E HA 0.559 4.909 4.350 -0.000 0.000 0.278 280 E C -1.846 174.847 176.600 0.156 0.000 0.910 280 E CA -0.721 55.650 56.400 -0.050 0.000 0.757 280 E CB 1.962 31.671 29.700 0.015 0.000 1.218 280 E HN 0.216 nan 8.360 nan 0.000 0.435 281 L N 4.751 126.150 121.223 0.292 0.000 2.488 281 L HA 0.336 4.676 4.340 -0.000 0.000 0.250 281 L C 0.933 177.878 176.870 0.126 0.000 1.280 281 L CA -0.311 54.642 54.840 0.188 0.000 0.929 281 L CB 0.675 42.845 42.059 0.184 0.000 1.200 281 L HN 0.505 nan 8.230 nan 0.000 0.495 282 K N 0.047 120.501 120.400 0.091 0.000 2.063 282 K HA -0.054 4.266 4.320 -0.000 0.000 0.208 282 K C 0.388 177.011 176.600 0.038 0.000 1.048 282 K CA 1.012 57.338 56.287 0.064 0.000 0.928 282 K CB 0.273 32.802 32.500 0.048 0.000 0.713 282 K HN 0.366 nan 8.250 nan 0.000 0.442 283 E N 0.695 120.903 120.200 0.013 0.000 2.191 283 E HA 0.247 4.597 4.350 -0.000 0.000 0.274 283 E C -2.365 174.194 176.600 -0.069 0.000 0.948 283 E CA -2.475 53.911 56.400 -0.022 0.000 0.802 283 E CB 1.311 30.986 29.700 -0.042 0.000 1.137 283 E HN 0.041 nan 8.360 nan 0.000 0.397 284 P HA 0.190 nan 4.420 nan 0.000 0.274 284 P C -0.322 176.808 177.300 -0.283 0.000 1.246 284 P CA -0.328 62.629 63.100 -0.238 0.000 0.795 284 P CB 0.806 32.234 31.700 -0.454 0.000 1.006 285 L N 1.565 122.600 121.223 -0.313 0.000 2.260 285 L HA 0.363 4.703 4.340 -0.000 0.000 0.289 285 L C 0.846 177.426 176.870 -0.484 0.000 1.057 285 L CA -0.168 54.442 54.840 -0.384 0.000 0.811 285 L CB 0.146 42.047 42.059 -0.262 0.000 1.184 285 L HN 0.214 nan 8.230 nan 0.000 0.429 286 K N 4.134 124.169 120.400 -0.608 0.000 2.323 286 K HA 0.543 4.863 4.320 -0.000 0.000 0.259 286 K C -1.537 174.792 176.600 -0.453 0.000 0.947 286 K CA -0.732 55.221 56.287 -0.556 0.000 0.819 286 K CB 2.056 34.037 32.500 -0.866 0.000 1.109 286 K HN 0.258 nan 8.250 nan 0.000 0.429 287 Y N 0.074 120.485 120.300 0.184 0.000 2.409 287 Y HA 0.407 4.957 4.550 -0.000 0.000 0.343 287 Y C -0.004 176.104 175.900 0.346 0.000 0.973 287 Y CA -1.069 57.182 58.100 0.252 0.000 1.064 287 Y CB 2.126 40.662 38.460 0.127 0.000 1.207 287 Y HN 0.623 nan 8.280 nan 0.000 0.452 288 A N 2.432 125.513 122.820 0.435 0.000 2.582 288 A HA 0.583 4.903 4.320 -0.000 0.000 0.336 288 A C 0.506 178.217 177.584 0.211 0.000 1.445 288 A CA -0.353 51.821 52.037 0.229 0.000 0.997 288 A CB -0.738 18.343 19.000 0.135 0.000 1.148 288 A HN 0.910 nan 8.150 nan 0.000 0.514 289 G N 1.650 110.542 108.800 0.153 0.000 2.365 289 G HA2 0.445 4.405 3.960 -0.000 0.000 0.249 289 G HA3 0.445 4.405 3.960 -0.000 0.000 0.249 289 G C -0.229 174.725 174.900 0.090 0.000 1.288 289 G CA -0.215 44.951 45.100 0.109 0.000 0.887 289 G HN 0.740 nan 8.290 nan 0.000 0.524 290 M N 3.187 122.877 119.600 0.151 0.000 2.142 290 M HA 0.534 5.014 4.480 -0.000 0.000 0.299 290 M C -0.421 175.992 176.300 0.189 0.000 0.960 290 M CA -0.481 54.911 55.300 0.154 0.000 0.920 290 M CB 1.640 34.368 32.600 0.213 0.000 1.541 290 M HN 0.753 nan 8.290 nan 0.000 0.429 291 S N 2.214 117.938 115.700 0.040 0.000 2.587 291 S HA 0.546 5.016 4.470 -0.000 0.000 0.269 291 S C -0.891 173.478 174.600 -0.384 0.000 1.154 291 S CA -0.840 57.294 58.200 -0.111 0.000 0.824 291 S CB 1.749 64.785 63.200 -0.274 0.000 1.118 291 S HN 0.580 nan 8.310 nan 0.000 0.462 292 T N 1.739 115.827 114.554 -0.777 0.000 2.907 292 T HA 0.517 4.867 4.350 -0.000 0.000 0.298 292 T C -0.199 173.806 174.700 -1.159 0.000 1.017 292 T CA -0.166 61.393 62.100 -0.902 0.000 1.118 292 T CB -0.132 68.251 68.868 -0.809 0.000 0.948 292 T HN 0.786 nan 8.240 nan 0.000 0.531 293 C N 3.222 121.784 119.300 -1.229 0.000 2.411 293 C HA 0.725 5.185 4.460 -0.000 0.000 0.330 293 C C -0.540 173.766 174.990 -1.139 0.000 1.224 293 C CA -1.005 57.364 59.018 -1.082 0.000 1.770 293 C CB -0.260 26.709 27.740 -1.285 0.000 2.297 293 C HN 0.823 nan 8.230 nan 0.000 0.507 294 F N 2.031 121.840 119.950 -0.234 0.000 2.507 294 F HA 0.616 5.143 4.527 -0.000 0.000 0.328 294 F C 0.526 176.461 175.800 0.225 0.000 1.136 294 F CA -0.609 57.425 58.000 0.056 0.000 0.930 294 F CB 1.039 40.095 39.000 0.093 0.000 1.166 294 F HN 0.335 nan 8.300 nan 0.000 0.436 295 R N 2.818 123.625 120.500 0.511 0.000 2.502 295 R HA 0.329 4.669 4.340 -0.000 0.000 0.300 295 R C 0.389 176.918 176.300 0.382 0.000 0.984 295 R CA -0.872 55.443 56.100 0.358 0.000 0.882 295 R CB 2.494 32.976 30.300 0.304 0.000 1.180 295 R HN 0.672 nan 8.270 nan 0.000 0.444 296 K N 1.362 121.727 120.400 -0.058 0.000 2.147 296 K HA -0.113 4.207 4.320 -0.000 0.000 0.205 296 K C -0.222 176.485 176.600 0.178 0.000 1.049 296 K CA 0.799 56.947 56.287 -0.231 0.000 0.936 296 K CB 0.175 32.410 32.500 -0.441 0.000 0.722 296 K HN 0.548 nan 8.250 nan 0.000 0.446 297 E N -1.282 119.009 120.200 0.151 0.000 2.297 297 E HA -0.241 4.109 4.350 -0.000 0.000 0.228 297 E C 0.571 177.244 176.600 0.121 0.000 1.213 297 E CA 0.639 57.119 56.400 0.133 0.000 0.712 297 E CB -1.679 28.095 29.700 0.124 0.000 1.202 297 E HN 0.476 nan 8.360 nan 0.000 0.376 298 A N 0.039 122.903 122.820 0.073 0.000 1.933 298 A HA -0.007 4.313 4.320 -0.000 0.000 0.218 298 A C 2.296 179.931 177.584 0.086 0.000 1.175 298 A CA 1.973 54.053 52.037 0.071 0.000 0.628 298 A CB -0.420 18.598 19.000 0.030 0.000 0.814 298 A HN 0.471 nan 8.150 nan 0.000 0.444 299 G N -0.326 108.514 108.800 0.068 0.000 2.414 299 G HA2 0.176 4.136 3.960 -0.000 0.000 0.215 299 G HA3 0.176 4.136 3.960 -0.000 0.000 0.215 299 G C 1.069 176.022 174.900 0.088 0.000 1.188 299 G CA 0.747 45.886 45.100 0.066 0.000 0.783 299 G HN 0.953 nan 8.290 nan 0.000 0.537 300 A N 0.849 123.716 122.820 0.078 0.000 3.030 300 A HA 0.386 4.706 4.320 -0.000 0.000 0.273 300 A C 1.141 178.782 177.584 0.095 0.000 1.841 300 A CA 0.528 52.607 52.037 0.070 0.000 1.479 300 A CB -0.749 18.274 19.000 0.039 0.000 1.048 300 A HN 0.631 nan 8.150 nan 0.000 0.612 301 H N 1.706 120.801 119.070 0.041 0.000 2.261 301 H HA 0.064 4.620 4.556 -0.000 0.000 0.301 301 H C 1.339 176.696 175.328 0.048 0.000 1.067 301 H CA 2.237 58.316 56.048 0.051 0.000 1.297 301 H CB 0.138 29.925 29.762 0.041 0.000 1.377 301 H HN 0.442 nan 8.280 nan 0.000 0.492 302 G N -0.585 108.054 108.800 -0.267 0.000 4.951 302 G HA2 0.177 4.137 3.960 -0.000 0.000 0.282 302 G HA3 0.177 4.137 3.960 -0.000 0.000 0.282 302 G C 0.784 175.641 174.900 -0.072 0.000 1.301 302 G CA -0.325 44.625 45.100 -0.251 0.000 0.975 302 G HN 0.251 nan 8.290 nan 0.000 0.589 303 R N 0.435 120.915 120.500 -0.033 0.000 2.051 303 R HA 0.065 4.405 4.340 -0.000 0.000 0.225 303 R C 1.507 177.792 176.300 -0.024 0.000 1.155 303 R CA 1.766 57.861 56.100 -0.009 0.000 0.945 303 R CB -0.301 30.006 30.300 0.012 0.000 0.840 303 R HN 0.311 nan 8.270 nan 0.000 0.432 304 D N -1.578 118.811 120.400 -0.018 0.000 2.394 304 D HA 0.067 4.707 4.640 -0.000 0.000 0.237 304 D C 0.303 176.584 176.300 -0.031 0.000 1.028 304 D CA 1.987 55.974 54.000 -0.022 0.000 0.937 304 D CB 0.391 41.215 40.800 0.039 0.000 1.072 304 D HN 0.295 nan 8.370 nan 0.000 0.457 305 T N -0.026 114.513 114.554 -0.025 0.000 12.518 305 T HA -0.233 4.117 4.350 -0.000 0.000 0.408 305 T C 0.262 174.958 174.700 -0.007 0.000 1.526 305 T CA 0.907 62.989 62.100 -0.031 0.000 2.493 305 T CB -0.947 67.893 68.868 -0.048 0.000 2.732 305 T HN -0.022 nan 8.240 nan 0.000 0.713 306 L N 2.611 123.830 121.223 -0.006 0.000 2.350 306 L HA 0.600 4.940 4.340 -0.000 0.000 0.275 306 L C 1.516 178.418 176.870 0.053 0.000 1.099 306 L CA 1.614 56.452 54.840 -0.003 0.000 0.808 306 L CB 0.357 42.385 42.059 -0.052 0.000 1.149 306 L HN 0.880 nan 8.230 nan 0.000 0.442 307 G N 3.304 112.132 108.800 0.046 0.000 2.575 307 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.267 307 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.267 307 G C 0.410 175.329 174.900 0.031 0.000 1.264 307 G CA 0.222 45.375 45.100 0.089 0.000 0.935 307 G HN 1.115 nan 8.290 nan 0.000 0.568 308 I N -2.974 117.590 120.570 -0.010 0.000 3.877 308 I HA 0.576 4.746 4.170 -0.000 0.000 0.332 308 I C 1.633 177.644 176.117 -0.176 0.000 1.525 308 I CA 0.151 61.308 61.300 -0.239 0.000 1.146 308 I CB -0.044 37.645 38.000 -0.519 0.000 1.137 308 I HN 0.387 nan 8.210 nan 0.000 0.424 309 F N 2.530 122.368 119.950 -0.186 0.000 2.146 309 F HA 0.125 4.652 4.527 -0.000 0.000 0.298 309 F C 1.361 177.003 175.800 -0.264 0.000 1.096 309 F CA 0.922 58.767 58.000 -0.257 0.000 1.275 309 F CB 0.332 39.188 39.000 -0.240 0.000 1.008 309 F HN 0.078 nan 8.300 nan 0.000 0.480 310 R N 1.180 121.628 120.500 -0.088 0.000 2.521 310 R HA 0.474 4.814 4.340 -0.000 0.000 0.295 310 R C -1.688 174.520 176.300 -0.154 0.000 1.183 310 R CA -0.436 55.556 56.100 -0.180 0.000 0.957 310 R CB 1.179 31.467 30.300 -0.020 0.000 1.171 310 R HN 0.052 nan 8.270 nan 0.000 0.494 311 V N -0.129 119.682 119.914 -0.172 0.000 3.155 311 V HA 0.471 4.591 4.120 -0.000 0.000 0.313 311 V C 0.635 176.756 176.094 0.045 0.000 1.162 311 V CA -0.770 61.494 62.300 -0.061 0.000 1.048 311 V CB 1.967 33.844 31.823 0.090 0.000 1.092 311 V HN 0.699 nan 8.190 nan 0.000 0.447 312 H N -0.173 119.081 119.070 0.307 0.000 2.535 312 H HA 0.224 4.780 4.556 -0.000 0.000 0.273 312 H C 0.517 176.039 175.328 0.323 0.000 0.983 312 H CA 1.099 57.362 56.048 0.357 0.000 1.238 312 H CB 0.712 30.709 29.762 0.393 0.000 1.412 312 H HN 0.727 nan 8.280 nan 0.000 0.562 313 Q N 0.345 120.379 119.800 0.390 0.000 2.274 313 Q HA 0.405 4.745 4.340 -0.000 0.000 0.268 313 Q C -1.760 174.375 176.000 0.226 0.000 1.015 313 Q CA -0.765 55.077 55.803 0.066 0.000 0.775 313 Q CB 1.555 30.304 28.738 0.018 0.000 1.256 313 Q HN 0.103 nan 8.270 nan 0.000 0.442 314 F N 0.002 119.842 119.950 -0.183 0.000 2.678 314 F HA 0.507 5.034 4.527 -0.000 0.000 0.308 314 F C -1.263 174.422 175.800 -0.191 0.000 1.118 314 F CA -1.212 56.727 58.000 -0.101 0.000 0.959 314 F CB 0.943 39.891 39.000 -0.087 0.000 1.305 314 F HN 0.224 nan 8.300 nan 0.000 0.443 315 D N 2.101 122.509 120.400 0.013 0.000 2.302 315 D HA 0.346 4.985 4.640 -0.000 0.000 0.248 315 D C -0.881 175.431 176.300 0.019 0.000 1.094 315 D CA -0.020 53.939 54.000 -0.067 0.000 0.897 315 D CB 1.986 42.793 40.800 0.012 0.000 1.200 315 D HN 0.694 nan 8.370 nan 0.000 0.429 316 K N 1.767 122.123 120.400 -0.073 0.000 2.523 316 K HA 0.390 4.710 4.320 -0.000 0.000 0.257 316 K C -1.541 175.025 176.600 -0.056 0.000 0.932 316 K CA -0.672 55.601 56.287 -0.023 0.000 0.812 316 K CB 1.598 34.103 32.500 0.009 0.000 1.326 316 K HN 0.234 nan 8.250 nan 0.000 0.433 317 I N 3.107 123.630 120.570 -0.078 0.000 2.362 317 I HA 0.315 4.485 4.170 -0.000 0.000 0.289 317 I C -0.471 175.573 176.117 -0.121 0.000 0.994 317 I CA -0.547 60.693 61.300 -0.100 0.000 1.158 317 I CB 1.404 39.308 38.000 -0.161 0.000 1.315 317 I HN 0.729 nan 8.210 nan 0.000 0.451 318 E N 5.156 125.315 120.200 -0.068 0.000 2.238 318 E HA 0.397 4.747 4.350 -0.000 0.000 0.267 318 E C -1.150 175.449 176.600 -0.002 0.000 0.887 318 E CA -0.548 55.830 56.400 -0.036 0.000 0.769 318 E CB 1.680 31.386 29.700 0.011 0.000 1.187 318 E HN 0.446 nan 8.360 nan 0.000 0.416 319 Q N 2.496 122.296 119.800 -0.001 0.000 2.256 319 Q HA 0.457 4.797 4.340 -0.000 0.000 0.254 319 Q C -1.153 174.977 176.000 0.217 0.000 0.916 319 Q CA -0.479 55.383 55.803 0.099 0.000 0.932 319 Q CB 1.327 30.095 28.738 0.050 0.000 1.207 319 Q HN 0.457 nan 8.270 nan 0.000 0.426 320 F N 2.020 122.067 119.950 0.162 0.000 2.557 320 F HA 0.492 5.019 4.527 -0.000 0.000 0.316 320 F C -1.472 174.386 175.800 0.097 0.000 1.141 320 F CA -0.787 57.268 58.000 0.091 0.000 0.922 320 F CB 1.442 40.468 39.000 0.044 0.000 1.194 320 F HN 0.255 nan 8.300 nan 0.000 0.443 321 V N 6.108 125.898 119.914 -0.206 0.000 2.588 321 V HA 0.570 4.690 4.120 -0.000 0.000 0.304 321 V C -1.008 174.930 176.094 -0.259 0.000 1.042 321 V CA -0.872 61.304 62.300 -0.206 0.000 0.877 321 V CB 1.877 33.507 31.823 -0.322 0.000 0.996 321 V HN 0.542 nan 8.190 nan 0.000 0.425 322 V N 4.210 124.035 119.914 -0.147 0.000 2.417 322 V HA 0.693 4.813 4.120 -0.000 0.000 0.291 322 V C 0.018 175.987 176.094 -0.207 0.000 1.024 322 V CA -0.413 61.793 62.300 -0.158 0.000 0.861 322 V CB 1.358 33.083 31.823 -0.164 0.000 0.985 322 V HN 1.162 nan 8.190 nan 0.000 0.436 323 C N 1.842 121.047 119.300 -0.158 0.000 3.291 323 C HA 0.822 5.282 4.460 -0.000 0.000 0.316 323 C C 0.340 175.215 174.990 -0.192 0.000 1.391 323 C CA -0.903 58.028 59.018 -0.146 0.000 1.394 323 C CB 1.370 29.051 27.740 -0.098 0.000 1.744 323 C HN 0.815 nan 8.230 nan 0.000 0.461 324 S N 1.928 117.483 115.700 -0.241 0.000 2.558 324 S HA 0.300 4.770 4.470 -0.000 0.000 0.288 324 S C -0.990 173.195 174.600 -0.691 0.000 1.318 324 S CA -0.161 57.661 58.200 -0.630 0.000 1.056 324 S CB 0.518 63.497 63.200 -0.368 0.000 0.853 324 S HN 0.777 nan 8.310 nan 0.000 0.505 325 P HA 0.082 nan 4.420 nan 0.000 0.249 325 P C -0.189 176.747 177.300 -0.607 0.000 1.229 325 P CA 0.268 62.692 63.100 -1.127 0.000 0.788 325 P CB 0.155 31.434 31.700 -0.703 0.000 1.072 326 R N 0.104 120.366 120.500 -0.397 0.000 2.643 326 R HA 0.310 4.650 4.340 -0.000 0.000 0.272 326 R C 0.489 176.737 176.300 -0.087 0.000 0.995 326 R CA -0.676 55.326 56.100 -0.162 0.000 1.032 326 R CB 0.496 30.747 30.300 -0.082 0.000 1.126 326 R HN -0.139 nan 8.270 nan 0.000 0.505 327 Q N 1.507 121.299 119.800 -0.014 0.000 2.494 327 Q HA -0.219 4.121 4.340 -0.000 0.000 0.266 327 Q C -0.624 175.404 176.000 0.046 0.000 1.053 327 Q CA 1.153 56.966 55.803 0.017 0.000 1.029 327 Q CB -1.288 27.452 28.738 0.004 0.000 1.423 327 Q HN 0.915 nan 8.270 nan 0.000 0.516 328 E N -1.418 118.843 120.200 0.102 0.000 2.722 328 E HA -0.296 4.054 4.350 -0.000 0.000 0.265 328 E C 0.879 177.564 176.600 0.142 0.000 1.081 328 E CA 1.271 57.825 56.400 0.255 0.000 0.781 328 E CB -1.179 28.688 29.700 0.277 0.000 1.372 328 E HN 0.789 nan 8.360 nan 0.000 0.423 329 E N 0.820 121.015 120.200 -0.008 0.000 2.110 329 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 329 E C 1.938 178.451 176.600 -0.145 0.000 0.988 329 E CA 1.704 58.042 56.400 -0.104 0.000 0.804 329 E CB 0.042 29.682 29.700 -0.099 0.000 0.745 329 E HN 0.410 nan 8.360 nan 0.000 0.458 330 S N -0.579 115.048 115.700 -0.121 0.000 2.419 330 S HA -0.160 4.310 4.470 -0.000 0.000 0.233 330 S C 1.602 175.966 174.600 -0.393 0.000 1.016 330 S CA 0.858 58.936 58.200 -0.203 0.000 0.974 330 S CB -0.822 62.253 63.200 -0.208 0.000 0.786 330 S HN 0.469 nan 8.310 nan 0.000 0.492 331 W N 2.149 123.439 121.300 -0.017 0.000 2.388 331 W HA 0.179 4.839 4.660 -0.000 0.000 0.294 331 W C 2.869 179.346 176.519 -0.071 0.000 1.212 331 W CA 0.256 57.556 57.345 -0.073 0.000 1.271 331 W CB -0.147 29.259 29.460 -0.090 0.000 1.126 331 W HN 0.224 nan 8.180 nan 0.000 0.535 332 R N -0.603 119.914 120.500 0.029 0.000 2.075 332 R HA -0.128 4.212 4.340 -0.000 0.000 0.232 332 R C 1.898 178.122 176.300 -0.127 0.000 1.126 332 R CA 1.361 57.412 56.100 -0.082 0.000 0.963 332 R CB -0.834 29.349 30.300 -0.196 0.000 0.858 332 R HN 0.296 nan 8.270 nan 0.000 0.435 333 H N 0.696 119.749 119.070 -0.030 0.000 2.387 333 H HA -0.102 4.454 4.556 -0.000 0.000 0.299 333 H C 2.111 177.421 175.328 -0.030 0.000 1.090 333 H CA 1.118 57.134 56.048 -0.053 0.000 1.332 333 H CB -0.251 29.444 29.762 -0.112 0.000 1.386 333 H HN 0.084 nan 8.280 nan 0.000 0.516 334 L N 1.581 122.842 121.223 0.063 0.000 2.042 334 L HA -0.149 4.191 4.340 -0.000 0.000 0.210 334 L C 2.122 179.088 176.870 0.161 0.000 1.076 334 L CA 1.716 56.608 54.840 0.087 0.000 0.749 334 L CB -0.352 41.751 42.059 0.074 0.000 0.893 334 L HN 0.033 nan 8.230 nan 0.000 0.432 335 E N -0.100 120.190 120.200 0.151 0.000 2.077 335 E HA -0.203 4.147 4.350 -0.000 0.000 0.193 335 E C 1.943 178.576 176.600 0.055 0.000 0.989 335 E CA 1.417 57.878 56.400 0.101 0.000 0.800 335 E CB -0.448 29.304 29.700 0.087 0.000 0.746 335 E HN 0.586 nan 8.360 nan 0.000 0.452 336 D N 0.169 120.612 120.400 0.072 0.000 2.144 336 D HA -0.089 4.551 4.640 -0.000 0.000 0.200 336 D C 2.030 178.389 176.300 0.098 0.000 0.978 336 D CA 0.842 54.891 54.000 0.082 0.000 0.833 336 D CB -0.183 40.684 40.800 0.112 0.000 0.961 336 D HN 0.197 nan 8.370 nan 0.000 0.470 337 M N -0.284 119.379 119.600 0.106 0.000 2.099 337 M HA -0.092 4.388 4.480 -0.000 0.000 0.262 337 M C 2.137 178.468 176.300 0.050 0.000 1.067 337 M CA 0.751 56.110 55.300 0.100 0.000 1.124 337 M CB -0.070 32.582 32.600 0.086 0.000 1.353 337 M HN -0.030 nan 8.290 nan 0.000 0.410 338 I N 0.262 120.852 120.570 0.033 0.000 2.315 338 I HA -0.205 3.965 4.170 -0.000 0.000 0.248 338 I C 2.123 178.206 176.117 -0.056 0.000 1.117 338 I CA 1.723 63.002 61.300 -0.035 0.000 1.404 338 I CB -0.386 37.529 38.000 -0.141 0.000 1.071 338 I HN 0.206 nan 8.210 nan 0.000 0.419 339 T N -0.109 114.430 114.554 -0.025 0.000 2.788 339 T HA -0.151 4.199 4.350 -0.000 0.000 0.268 339 T C 1.784 176.513 174.700 0.048 0.000 1.044 339 T CA 2.031 64.132 62.100 0.001 0.000 1.139 339 T CB -0.445 68.433 68.868 0.017 0.000 0.867 339 T HN 0.406 nan 8.240 nan 0.000 0.454 340 T N 1.829 116.431 114.554 0.081 0.000 2.746 340 T HA -0.090 4.260 4.350 -0.000 0.000 0.267 340 T C 2.400 177.195 174.700 0.159 0.000 1.039 340 T CA 1.446 63.644 62.100 0.164 0.000 1.142 340 T CB -0.383 68.572 68.868 0.145 0.000 0.866 340 T HN 0.320 nan 8.240 nan 0.000 0.444 341 S N 1.162 116.874 115.700 0.020 0.000 2.382 341 S HA -0.093 4.377 4.470 -0.000 0.000 0.228 341 S C 2.058 176.600 174.600 -0.096 0.000 1.027 341 S CA 0.926 59.092 58.200 -0.056 0.000 0.991 341 S CB -0.244 62.896 63.200 -0.099 0.000 0.823 341 S HN 0.583 nan 8.310 nan 0.000 0.469 342 E N 0.913 121.028 120.200 -0.142 0.000 2.031 342 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 342 E C 2.155 178.695 176.600 -0.101 0.000 0.994 342 E CA 0.931 57.182 56.400 -0.249 0.000 0.800 342 E CB -0.086 29.559 29.700 -0.092 0.000 0.752 342 E HN 0.355 nan 8.360 nan 0.000 0.447 343 E N 0.374 120.597 120.200 0.039 0.000 2.110 343 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 343 E C 1.842 178.512 176.600 0.116 0.000 0.988 343 E CA 0.644 57.119 56.400 0.124 0.000 0.804 343 E CB -0.330 29.524 29.700 0.258 0.000 0.745 343 E HN 0.235 nan 8.360 nan 0.000 0.458 344 F N 2.649 122.479 119.950 -0.199 0.000 2.069 344 F HA -0.193 4.334 4.527 -0.000 0.000 0.298 344 F C 1.901 177.524 175.800 -0.294 0.000 1.113 344 F CA 1.502 59.095 58.000 -0.679 0.000 1.214 344 F CB -0.225 38.233 39.000 -0.904 0.000 0.978 344 F HN -0.030 nan 8.300 nan 0.000 0.474 345 N N 0.609 119.196 118.700 -0.188 0.000 2.188 345 N HA -0.166 4.574 4.740 -0.000 0.000 0.184 345 N C 1.788 177.261 175.510 -0.062 0.000 1.018 345 N CA 1.359 54.327 53.050 -0.137 0.000 0.858 345 N CB -0.274 38.168 38.487 -0.075 0.000 0.989 345 N HN 0.420 nan 8.380 nan 0.000 0.426 346 K N 0.905 121.213 120.400 -0.154 0.000 2.103 346 K HA -0.095 4.225 4.320 -0.000 0.000 0.207 346 K C 2.318 178.873 176.600 -0.074 0.000 1.048 346 K CA 1.531 57.628 56.287 -0.317 0.000 0.930 346 K CB -0.167 32.009 32.500 -0.541 0.000 0.716 346 K HN 0.212 nan 8.250 nan 0.000 0.444 347 S N 1.134 116.779 115.700 -0.092 0.000 2.402 347 S HA -0.083 4.387 4.470 -0.000 0.000 0.229 347 S C 1.868 176.401 174.600 -0.112 0.000 1.021 347 S CA 0.836 59.014 58.200 -0.036 0.000 0.974 347 S CB -0.353 62.891 63.200 0.073 0.000 0.800 347 S HN 0.222 nan 8.310 nan 0.000 0.484 348 L N 0.931 122.029 121.223 -0.208 0.000 2.554 348 L HA 0.275 4.614 4.340 -0.000 0.000 0.226 348 L C 1.746 178.663 176.870 0.079 0.000 1.137 348 L CA 0.368 55.096 54.840 -0.186 0.000 0.863 348 L CB -0.791 41.084 42.059 -0.306 0.000 0.985 348 L HN 0.621 nan 8.230 nan 0.000 0.451 349 G N 1.125 110.026 108.800 0.168 0.000 2.182 349 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.248 349 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.248 349 G C -0.050 175.039 174.900 0.315 0.000 1.042 349 G CA -0.190 45.090 45.100 0.300 0.000 0.775 349 G HN 0.238 nan 8.290 nan 0.000 0.501 350 L N 1.025 122.455 121.223 0.345 0.000 2.272 350 L HA 0.453 4.793 4.340 -0.000 0.000 0.289 350 L C -1.791 175.374 176.870 0.492 0.000 1.032 350 L CA -2.387 52.645 54.840 0.320 0.000 0.810 350 L CB 1.616 43.812 42.059 0.230 0.000 1.205 350 L HN -0.075 nan 8.230 nan 0.000 0.422 351 P HA 0.250 nan 4.420 nan 0.000 0.274 351 P C -1.474 176.108 177.300 0.470 0.000 1.231 351 P CA -0.007 63.245 63.100 0.252 0.000 0.790 351 P CB 0.643 32.392 31.700 0.081 0.000 0.951 352 Y N -1.422 119.143 120.300 0.442 0.000 2.750 352 Y HA 0.684 5.234 4.550 -0.000 0.000 0.335 352 Y C -1.012 175.104 175.900 0.361 0.000 1.252 352 Y CA -1.479 56.902 58.100 0.468 0.000 1.064 352 Y CB 1.065 39.731 38.460 0.344 0.000 1.321 352 Y HN 0.491 nan 8.280 nan 0.000 0.451 353 R N 0.751 121.528 120.500 0.462 0.000 2.807 353 R HA 0.905 5.244 4.340 -0.000 0.000 0.276 353 R C -2.062 174.394 176.300 0.260 0.000 0.979 353 R CA -1.138 55.063 56.100 0.169 0.000 0.928 353 R CB 2.295 32.407 30.300 -0.314 0.000 1.191 353 R HN 0.528 nan 8.270 nan 0.000 0.471 354 V N 2.436 122.463 119.914 0.189 0.000 2.398 354 V HA 0.419 4.539 4.120 -0.000 0.000 0.286 354 V C -0.062 176.087 176.094 0.091 0.000 1.026 354 V CA -0.651 61.725 62.300 0.127 0.000 0.868 354 V CB 1.497 33.365 31.823 0.075 0.000 0.982 354 V HN 0.655 nan 8.190 nan 0.000 0.443 355 V N 1.803 121.790 119.914 0.122 0.000 2.680 355 V HA 0.679 4.799 4.120 -0.000 0.000 0.309 355 V C -0.408 175.812 176.094 0.208 0.000 1.052 355 V CA -0.870 61.502 62.300 0.120 0.000 0.908 355 V CB 2.012 33.868 31.823 0.055 0.000 1.001 355 V HN 0.729 nan 8.190 nan 0.000 0.431 356 N N 4.354 123.162 118.700 0.180 0.000 2.414 356 N HA 0.360 5.100 4.740 -0.000 0.000 0.256 356 N C -0.536 174.990 175.510 0.027 0.000 1.029 356 N CA -0.651 52.458 53.050 0.099 0.000 0.948 356 N CB 0.730 39.279 38.487 0.103 0.000 1.102 356 N HN 0.716 nan 8.380 nan 0.000 0.496 357 I N 3.506 124.069 120.570 -0.011 0.000 2.496 357 I HA 0.060 4.230 4.170 -0.000 0.000 0.285 357 I C 1.277 177.392 176.117 -0.004 0.000 1.080 357 I CA -0.694 60.605 61.300 -0.003 0.000 1.404 357 I CB -0.464 37.531 38.000 -0.010 0.000 1.403 357 I HN 0.578 nan 8.210 nan 0.000 0.539 358 C N 4.128 123.435 119.300 0.010 0.000 2.649 358 C HA 0.215 4.675 4.460 -0.000 0.000 0.377 358 C C 2.109 177.123 174.990 0.040 0.000 1.321 358 C CA -0.066 58.967 59.018 0.026 0.000 2.368 358 C CB 0.430 28.185 27.740 0.025 0.000 2.597 358 C HN 0.942 nan 8.230 nan 0.000 0.678 359 S N 1.743 117.491 115.700 0.080 0.000 2.370 359 S HA -0.079 4.390 4.470 -0.000 0.000 0.226 359 S C 1.851 176.528 174.600 0.129 0.000 1.033 359 S CA 1.677 59.938 58.200 0.101 0.000 1.011 359 S CB -1.393 61.888 63.200 0.135 0.000 0.852 359 S HN 1.405 nan 8.310 nan 0.000 0.457 360 G N 0.644 109.547 108.800 0.171 0.000 2.471 360 G HA2 0.256 4.216 3.960 -0.000 0.000 0.219 360 G HA3 0.256 4.216 3.960 -0.000 0.000 0.219 360 G C 1.347 176.273 174.900 0.043 0.000 1.125 360 G CA 0.604 45.780 45.100 0.126 0.000 0.775 360 G HN 0.851 nan 8.290 nan 0.000 0.548 361 A N -0.411 122.423 122.820 0.023 0.000 2.252 361 A HA 0.532 4.852 4.320 -0.000 0.000 0.213 361 A C 0.985 178.569 177.584 -0.000 0.000 1.188 361 A CA -0.405 51.635 52.037 0.005 0.000 0.863 361 A CB 0.083 19.081 19.000 -0.002 0.000 0.893 361 A HN 0.252 nan 8.150 nan 0.000 0.495 362 L N 2.623 123.846 121.223 0.000 0.000 2.490 362 L HA 0.047 4.387 4.340 -0.000 0.000 0.274 362 L C 0.285 177.135 176.870 -0.035 0.000 1.201 362 L CA -0.550 54.277 54.840 -0.022 0.000 0.869 362 L CB 0.244 42.287 42.059 -0.027 0.000 1.123 362 L HN 0.554 nan 8.230 nan 0.000 0.484 363 N N 2.612 121.278 118.700 -0.056 0.000 2.399 363 N HA -0.022 4.718 4.740 -0.000 0.000 0.250 363 N C 0.293 175.722 175.510 -0.134 0.000 1.272 363 N CA -0.506 52.499 53.050 -0.075 0.000 0.928 363 N CB 0.397 38.839 38.487 -0.076 0.000 1.158 363 N HN 0.455 nan 8.380 nan 0.000 0.463 364 N N 0.627 119.234 118.700 -0.155 0.000 2.104 364 N HA -0.155 4.585 4.740 -0.000 0.000 0.190 364 N C 1.587 176.694 175.510 -0.672 0.000 1.024 364 N CA 1.933 54.824 53.050 -0.265 0.000 0.853 364 N CB -0.816 37.596 38.487 -0.125 0.000 1.008 364 N HN 0.789 nan 8.380 nan 0.000 0.424 365 A N 0.470 122.845 122.820 -0.741 0.000 1.969 365 A HA 0.220 4.540 4.320 -0.000 0.000 0.218 365 A C 1.148 178.420 177.584 -0.519 0.000 1.169 365 A CA 0.967 52.414 52.037 -0.984 0.000 0.635 365 A CB -0.550 18.206 19.000 -0.407 0.000 0.810 365 A HN 0.324 nan 8.150 nan 0.000 0.445 366 A N -0.672 121.962 122.820 -0.311 0.000 2.409 366 A HA 0.582 4.902 4.320 -0.000 0.000 0.262 366 A C 1.191 178.705 177.584 -0.116 0.000 1.113 366 A CA 0.255 52.184 52.037 -0.181 0.000 0.790 366 A CB 0.385 19.309 19.000 -0.126 0.000 1.046 366 A HN 1.004 nan 8.150 nan 0.000 0.496 367 A N 2.253 125.051 122.820 -0.037 0.000 2.132 367 A HA 0.352 4.672 4.320 -0.000 0.000 0.213 367 A C 0.889 178.581 177.584 0.179 0.000 1.154 367 A CA 1.335 53.442 52.037 0.116 0.000 0.753 367 A CB -0.021 19.145 19.000 0.277 0.000 0.826 367 A HN 0.810 nan 8.150 nan 0.000 0.469 368 K N -1.055 119.407 120.400 0.103 0.000 2.622 368 K HA 0.392 4.712 4.320 -0.000 0.000 0.273 368 K C -1.885 174.660 176.600 -0.092 0.000 0.957 368 K CA -0.582 55.719 56.287 0.023 0.000 0.861 368 K CB 1.178 33.746 32.500 0.113 0.000 1.405 368 K HN 0.077 nan 8.250 nan 0.000 0.406 369 K N 3.173 123.467 120.400 -0.176 0.000 2.513 369 K HA 0.344 4.664 4.320 -0.000 0.000 0.251 369 K C -1.853 174.622 176.600 -0.209 0.000 0.939 369 K CA -0.686 55.509 56.287 -0.152 0.000 0.793 369 K CB 1.037 33.494 32.500 -0.071 0.000 1.241 369 K HN 0.439 nan 8.250 nan 0.000 0.431 370 Y N 1.493 121.802 120.300 0.016 0.000 2.341 370 Y HA 0.296 4.846 4.550 -0.000 0.000 0.337 370 Y C -0.198 175.707 175.900 0.007 0.000 1.014 370 Y CA -0.502 57.609 58.100 0.017 0.000 1.111 370 Y CB 1.543 40.015 38.460 0.020 0.000 1.194 370 Y HN 0.529 nan 8.280 nan 0.000 0.462 371 D N 2.563 123.068 120.400 0.176 0.000 2.185 371 D HA 0.366 5.006 4.640 -0.000 0.000 0.247 371 D C -1.095 175.266 176.300 0.102 0.000 1.027 371 D CA -0.497 53.568 54.000 0.108 0.000 0.861 371 D CB 1.979 42.828 40.800 0.082 0.000 1.202 371 D HN 0.454 nan 8.370 nan 0.000 0.453 372 L N 1.510 122.773 121.223 0.066 0.000 2.280 372 L HA 0.365 4.704 4.340 -0.000 0.000 0.287 372 L C -0.653 176.302 176.870 0.142 0.000 1.023 372 L CA -0.447 54.428 54.840 0.058 0.000 0.819 372 L CB 0.569 42.572 42.059 -0.093 0.000 1.212 372 L HN 0.254 nan 8.230 nan 0.000 0.420 373 E N 4.939 125.281 120.200 0.238 0.000 2.113 373 E HA 0.499 4.849 4.350 -0.000 0.000 0.273 373 E C -0.568 176.382 176.600 0.585 0.000 0.924 373 E CA -0.671 55.944 56.400 0.359 0.000 0.764 373 E CB 1.740 31.632 29.700 0.320 0.000 1.104 373 E HN 0.721 nan 8.360 nan 0.000 0.406 374 A N 3.806 126.972 122.820 0.576 0.000 2.322 374 A HA 0.163 4.483 4.320 -0.000 0.000 0.269 374 A C -0.688 177.311 177.584 0.692 0.000 1.094 374 A CA -0.573 51.832 52.037 0.613 0.000 0.807 374 A CB 0.512 19.767 19.000 0.426 0.000 1.047 374 A HN 0.811 nan 8.150 nan 0.000 0.487 375 W N 3.099 124.575 121.300 0.293 0.000 2.311 375 W HA 0.466 5.125 4.660 -0.000 0.000 0.310 375 W C -1.957 174.583 176.519 0.036 0.000 1.274 375 W CA -0.390 56.944 57.345 -0.017 0.000 1.215 375 W CB 0.515 29.858 29.460 -0.196 0.000 1.227 375 W HN 0.487 nan 8.180 nan 0.000 0.523 376 F N 8.814 128.286 119.950 -0.797 0.000 2.293 376 F HA 0.225 4.752 4.527 -0.000 0.000 0.370 376 F C -1.215 173.970 175.800 -1.025 0.000 1.090 376 F CA -2.739 54.874 58.000 -0.646 0.000 1.133 376 F CB 0.731 39.488 39.000 -0.405 0.000 1.360 376 F HN 0.226 nan 8.300 nan 0.000 0.489 377 P HA -0.117 nan 4.420 nan 0.000 0.223 377 P C 1.093 178.238 177.300 -0.259 0.000 1.151 377 P CA 1.137 63.945 63.100 -0.488 0.000 0.787 377 P CB 0.383 32.022 31.700 -0.103 0.000 0.788 378 A N -0.061 122.645 122.820 -0.190 0.000 1.943 378 A HA 0.023 4.343 4.320 -0.000 0.000 0.213 378 A C 2.339 179.841 177.584 -0.136 0.000 1.181 378 A CA 1.133 53.103 52.037 -0.112 0.000 0.653 378 A CB -1.094 17.871 19.000 -0.058 0.000 0.833 378 A HN 0.112 nan 8.150 nan 0.000 0.451 379 S N -0.895 114.708 115.700 -0.161 0.000 2.447 379 S HA 0.235 4.705 4.470 -0.000 0.000 0.233 379 S C 1.470 175.912 174.600 -0.264 0.000 1.006 379 S CA 0.892 58.973 58.200 -0.198 0.000 0.957 379 S CB -0.323 62.750 63.200 -0.212 0.000 0.773 379 S HN 1.676 nan 8.310 nan 0.000 0.507 380 G N 1.181 109.733 108.800 -0.413 0.000 2.246 380 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.273 380 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.273 380 G C -0.100 174.495 174.900 -0.509 0.000 1.055 380 G CA 0.191 45.037 45.100 -0.423 0.000 0.851 380 G HN 0.987 nan 8.290 nan 0.000 0.500 381 A N -1.038 121.261 122.820 -0.868 0.000 2.572 381 A HA 0.818 5.138 4.320 -0.000 0.000 0.295 381 A C -0.597 176.794 177.584 -0.321 0.000 1.072 381 A CA -0.867 50.953 52.037 -0.362 0.000 0.691 381 A CB 1.001 19.883 19.000 -0.198 0.000 1.291 381 A HN 0.741 nan 8.150 nan 0.000 0.404 382 F N 1.259 121.370 119.950 0.267 0.000 2.427 382 F HA 0.560 5.087 4.527 -0.000 0.000 0.352 382 F C 1.126 177.001 175.800 0.124 0.000 1.100 382 F CA 0.639 58.829 58.000 0.317 0.000 1.191 382 F CB 1.112 40.315 39.000 0.339 0.000 1.128 382 F HN 0.464 nan 8.300 nan 0.000 0.533 383 R N 1.918 122.604 120.500 0.310 0.000 2.628 383 R HA 0.234 4.574 4.340 -0.000 0.000 0.288 383 R C -0.805 175.657 176.300 0.269 0.000 0.980 383 R CA -1.081 55.095 56.100 0.126 0.000 0.891 383 R CB 2.171 32.271 30.300 -0.334 0.000 1.188 383 R HN 0.610 nan 8.270 nan 0.000 0.450 384 E N 3.460 123.782 120.200 0.204 0.000 2.480 384 E HA -0.059 4.291 4.350 -0.000 0.000 0.258 384 E C -0.016 176.650 176.600 0.110 0.000 0.984 384 E CA 0.210 56.699 56.400 0.148 0.000 0.930 384 E CB 0.643 30.390 29.700 0.079 0.000 0.936 384 E HN 0.552 nan 8.360 nan 0.000 0.466 385 L N 3.852 125.145 121.223 0.116 0.000 2.609 385 L HA 0.227 4.567 4.340 -0.000 0.000 0.230 385 L C -0.203 176.664 176.870 -0.004 0.000 1.064 385 L CA 0.101 54.975 54.840 0.057 0.000 0.873 385 L CB 0.942 43.073 42.059 0.121 0.000 1.139 385 L HN 0.331 nan 8.230 nan 0.000 0.490 386 V N -0.399 119.521 119.914 0.009 0.000 2.888 386 V HA 0.387 4.507 4.120 -0.000 0.000 0.309 386 V C -0.749 175.348 176.094 0.006 0.000 1.114 386 V CA -0.624 61.667 62.300 -0.015 0.000 0.940 386 V CB 2.224 34.025 31.823 -0.037 0.000 1.021 386 V HN 0.234 nan 8.190 nan 0.000 0.426 387 S N 2.467 118.168 115.700 0.000 0.000 2.526 387 S HA 0.777 5.247 4.470 -0.000 0.000 0.293 387 S C -0.969 173.639 174.600 0.013 0.000 1.092 387 S CA -0.641 57.569 58.200 0.017 0.000 0.980 387 S CB 1.699 64.903 63.200 0.007 0.000 1.048 387 S HN 0.719 nan 8.310 nan 0.000 0.483 388 C N 2.926 122.252 119.300 0.043 0.000 2.396 388 C HA 0.917 5.377 4.460 -0.000 0.000 0.321 388 C C 0.023 175.021 174.990 0.013 0.000 1.233 388 C CA -0.533 58.506 59.018 0.034 0.000 1.440 388 C CB 0.765 28.558 27.740 0.088 0.000 2.110 388 C HN 1.057 nan 8.230 nan 0.000 0.473 389 S N 2.118 117.786 115.700 -0.053 0.000 2.570 389 S HA 0.573 5.043 4.470 -0.000 0.000 0.286 389 S C -1.210 173.286 174.600 -0.173 0.000 1.099 389 S CA -0.639 57.501 58.200 -0.099 0.000 0.913 389 S CB 1.444 64.582 63.200 -0.103 0.000 1.085 389 S HN 0.663 nan 8.310 nan 0.000 0.480 390 N N 0.419 118.984 118.700 -0.224 0.000 2.439 390 N HA 0.306 5.046 4.740 -0.000 0.000 0.249 390 N C -0.303 175.016 175.510 -0.319 0.000 1.003 390 N CA -0.711 52.106 53.050 -0.389 0.000 0.942 390 N CB 0.530 38.552 38.487 -0.775 0.000 1.115 390 N HN 0.697 nan 8.380 nan 0.000 0.505 391 C N 2.175 121.293 119.300 -0.304 0.000 2.693 391 C HA 0.104 4.564 4.460 -0.000 0.000 0.286 391 C C 1.707 176.544 174.990 -0.254 0.000 1.277 391 C CA 0.363 59.243 59.018 -0.229 0.000 1.705 391 C CB -2.063 25.577 27.740 -0.166 0.000 1.879 391 C HN 0.943 nan 8.230 nan 0.000 0.607 392 T N 1.725 116.006 114.554 -0.455 0.000 6.609 392 T HA -0.394 3.956 4.350 -0.000 0.000 0.204 392 T C 0.374 174.761 174.700 -0.522 0.000 1.650 392 T CA 2.413 64.016 62.100 -0.828 0.000 1.250 392 T CB -1.036 67.382 68.868 -0.752 0.000 1.462 392 T HN 0.531 nan 8.240 nan 0.000 0.418 393 D N 0.188 120.401 120.400 -0.312 0.000 2.463 393 D HA 0.295 4.935 4.640 -0.000 0.000 0.224 393 D C 1.155 177.420 176.300 -0.058 0.000 1.174 393 D CA -0.250 53.709 54.000 -0.068 0.000 0.829 393 D CB -0.547 40.296 40.800 0.071 0.000 0.993 393 D HN 0.712 nan 8.370 nan 0.000 0.497 394 Y N 1.128 121.339 120.300 -0.148 0.000 2.184 394 Y HA -0.137 4.413 4.550 -0.000 0.000 0.290 394 Y C 2.032 177.870 175.900 -0.103 0.000 1.129 394 Y CA 1.703 59.734 58.100 -0.114 0.000 1.144 394 Y CB 0.309 38.715 38.460 -0.089 0.000 0.995 394 Y HN -0.065 nan 8.280 nan 0.000 0.513 395 Q N -0.675 119.200 119.800 0.125 0.000 2.096 395 Q HA -0.132 4.208 4.340 -0.000 0.000 0.197 395 Q C 2.494 178.495 176.000 0.001 0.000 0.964 395 Q CA 1.748 57.596 55.803 0.075 0.000 0.838 395 Q CB -0.207 28.605 28.738 0.122 0.000 0.906 395 Q HN 0.523 nan 8.270 nan 0.000 0.444 396 S N 0.384 116.081 115.700 -0.005 0.000 2.383 396 S HA -0.219 4.251 4.470 -0.000 0.000 0.227 396 S C 1.997 176.494 174.600 -0.172 0.000 1.026 396 S CA 1.013 59.222 58.200 0.015 0.000 0.981 396 S CB -0.230 63.036 63.200 0.111 0.000 0.818 396 S HN 0.254 nan 8.310 nan 0.000 0.472 397 Q N 1.316 120.835 119.800 -0.468 0.000 2.119 397 Q HA -0.087 4.253 4.340 -0.000 0.000 0.201 397 Q C 2.323 178.067 176.000 -0.427 0.000 0.972 397 Q CA 1.838 57.104 55.803 -0.895 0.000 0.847 397 Q CB -0.645 27.540 28.738 -0.921 0.000 0.903 397 Q HN 0.646 nan 8.270 nan 0.000 0.433 398 S N -0.188 115.346 115.700 -0.278 0.000 2.383 398 S HA -0.096 4.374 4.470 -0.000 0.000 0.227 398 S C 1.858 176.410 174.600 -0.080 0.000 1.026 398 S CA 1.384 59.478 58.200 -0.176 0.000 0.981 398 S CB -0.225 62.884 63.200 -0.151 0.000 0.818 398 S HN 0.381 nan 8.310 nan 0.000 0.472 399 V N -0.509 119.385 119.914 -0.034 0.000 3.623 399 V HA 0.336 4.456 4.120 -0.000 0.000 0.271 399 V C 0.593 176.719 176.094 0.054 0.000 1.248 399 V CA 0.801 63.119 62.300 0.031 0.000 1.156 399 V CB -1.567 30.306 31.823 0.082 0.000 0.870 399 V HN 0.589 nan 8.190 nan 0.000 0.453 400 N N -0.550 118.175 118.700 0.040 0.000 2.746 400 N HA -0.223 4.517 4.740 -0.000 0.000 0.250 400 N C -0.534 175.072 175.510 0.160 0.000 1.055 400 N CA 0.920 54.050 53.050 0.134 0.000 0.699 400 N CB -1.888 36.659 38.487 0.099 0.000 0.919 400 N HN 0.782 nan 8.380 nan 0.000 0.548 401 C N 2.736 122.168 119.300 0.221 0.000 2.176 401 C HA 0.491 4.951 4.460 -0.000 0.000 0.329 401 C C 0.495 175.612 174.990 0.211 0.000 1.113 401 C CA -0.837 58.318 59.018 0.228 0.000 1.562 401 C CB -0.792 27.133 27.740 0.308 0.000 2.040 401 C HN 0.289 nan 8.230 nan 0.000 0.460 402 R N 3.147 123.582 120.500 -0.109 0.000 2.543 402 R HA 0.385 4.725 4.340 -0.000 0.000 0.268 402 R C -1.068 175.062 176.300 -0.285 0.000 1.067 402 R CA -0.239 55.520 56.100 -0.569 0.000 1.142 402 R CB 1.204 30.521 30.300 -1.639 0.000 1.110 402 R HN 0.787 nan 8.270 nan 0.000 0.549 403 Y N -1.211 118.860 120.300 -0.382 0.000 2.512 403 Y HA 0.472 5.022 4.550 -0.000 0.000 0.348 403 Y C 0.189 176.143 175.900 0.092 0.000 0.990 403 Y CA 0.560 58.655 58.100 -0.008 0.000 1.033 403 Y CB 2.087 40.565 38.460 0.030 0.000 1.259 403 Y HN 0.910 nan 8.280 nan 0.000 0.461 404 G N 3.530 112.140 108.800 -0.317 0.000 2.498 404 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.651 404 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.651 404 G C -3.194 171.785 174.900 0.132 0.000 1.284 404 G CA -1.199 43.844 45.100 -0.095 0.000 0.950 404 G HN 0.530 nan 8.290 nan 0.000 0.511 405 P HA 0.214 nan 4.420 nan 0.000 0.264 405 P C -0.310 176.954 177.300 -0.059 0.000 1.183 405 P CA 0.162 63.258 63.100 -0.007 0.000 0.763 405 P CB 0.480 32.179 31.700 -0.002 0.000 0.807 406 N N 3.744 122.234 118.700 -0.351 0.000 2.804 406 N HA 0.314 5.054 4.740 -0.000 0.000 0.251 406 N C -1.573 173.642 175.510 -0.493 0.000 1.250 406 N CA -0.183 52.387 53.050 -0.801 0.000 0.820 406 N CB -0.235 37.339 38.487 -1.523 0.000 1.156 406 N HN 0.229 nan 8.380 nan 0.000 0.512 407 L N 0.611 121.650 121.223 -0.307 0.000 2.333 407 L HA 0.577 4.917 4.340 -0.000 0.000 0.263 407 L C 0.696 177.477 176.870 -0.149 0.000 1.014 407 L CA -1.216 53.508 54.840 -0.193 0.000 0.820 407 L CB 2.116 44.104 42.059 -0.118 0.000 1.352 407 L HN 0.242 nan 8.230 nan 0.000 0.421 408 R N 0.479 120.910 120.500 -0.114 0.000 2.623 408 R HA 0.301 4.641 4.340 -0.000 0.000 0.271 408 R C 0.877 177.146 176.300 -0.050 0.000 1.043 408 R CA 1.350 57.404 56.100 -0.077 0.000 1.083 408 R CB 0.296 30.559 30.300 -0.063 0.000 0.974 408 R HN 0.859 nan 8.270 nan 0.000 0.436 409 G N 2.101 110.882 108.800 -0.033 0.000 2.176 409 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.232 409 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.232 409 G C -0.109 174.789 174.900 -0.003 0.000 0.986 409 G CA 0.244 45.335 45.100 -0.015 0.000 0.643 409 G HN 0.643 nan 8.290 nan 0.000 0.522 410 T N 2.083 116.635 114.554 -0.003 0.000 2.727 410 T HA 0.652 5.002 4.350 -0.000 0.000 0.295 410 T C 0.980 175.703 174.700 0.039 0.000 0.915 410 T CA 0.635 62.748 62.100 0.021 0.000 1.066 410 T CB 1.370 70.257 68.868 0.031 0.000 0.891 410 T HN 1.067 nan 8.240 nan 0.000 0.516 411 A N 3.298 126.142 122.820 0.040 0.000 2.372 411 A HA 0.772 5.092 4.320 -0.000 0.000 0.271 411 A C 1.009 178.630 177.584 0.061 0.000 1.470 411 A CA -0.509 51.556 52.037 0.046 0.000 0.827 411 A CB -0.420 18.604 19.000 0.038 0.000 1.405 411 A HN 0.954 nan 8.150 nan 0.000 0.536 412 A N -0.062 122.795 122.820 0.061 0.000 2.524 412 A HA 0.315 4.635 4.320 -0.000 0.000 0.271 412 A C 0.140 177.763 177.584 0.065 0.000 1.097 412 A CA 0.238 52.316 52.037 0.068 0.000 0.791 412 A CB -0.922 18.118 19.000 0.067 0.000 1.028 412 A HN 0.567 nan 8.150 nan 0.000 0.518 413 Q N 3.031 122.873 119.800 0.070 0.000 2.337 413 Q HA 0.075 4.415 4.340 -0.000 0.000 0.255 413 Q C 0.518 176.551 176.000 0.056 0.000 0.997 413 Q CA -0.755 55.086 55.803 0.063 0.000 0.925 413 Q CB 0.588 29.367 28.738 0.068 0.000 1.212 413 Q HN 0.778 nan 8.270 nan 0.000 0.436 414 N N 1.023 119.755 118.700 0.053 0.000 2.122 414 N HA -0.166 4.574 4.740 -0.000 0.000 0.199 414 N C 0.140 175.682 175.510 0.053 0.000 1.007 414 N CA 1.186 54.267 53.050 0.052 0.000 0.892 414 N CB 0.092 38.607 38.487 0.046 0.000 1.050 414 N HN 0.274 nan 8.380 nan 0.000 0.468 415 V N 1.170 121.112 119.914 0.047 0.000 2.447 415 V HA 0.229 4.349 4.120 -0.000 0.000 0.292 415 V C -0.292 175.807 176.094 0.008 0.000 1.021 415 V CA -0.870 61.455 62.300 0.043 0.000 0.850 415 V CB 1.975 33.828 31.823 0.050 0.000 1.005 415 V HN -0.002 nan 8.190 nan 0.000 0.426 416 K N 3.525 123.907 120.400 -0.031 0.000 2.322 416 K HA 0.433 4.752 4.320 -0.000 0.000 0.283 416 K C -0.111 176.325 176.600 -0.273 0.000 1.042 416 K CA -0.147 56.021 56.287 -0.198 0.000 0.958 416 K CB 1.206 33.541 32.500 -0.276 0.000 0.984 416 K HN 0.657 nan 8.250 nan 0.000 0.473 417 E N 1.966 121.975 120.200 -0.318 0.000 2.214 417 E HA 0.264 4.614 4.350 -0.000 0.000 0.274 417 E C -1.021 175.312 176.600 -0.446 0.000 0.977 417 E CA -0.679 55.604 56.400 -0.195 0.000 0.827 417 E CB 1.034 30.755 29.700 0.034 0.000 1.130 417 E HN 0.343 nan 8.360 nan 0.000 0.394 418 Y N -0.171 120.149 120.300 0.034 0.000 2.562 418 Y HA 0.279 4.829 4.550 -0.000 0.000 0.343 418 Y C 0.177 176.133 175.900 0.093 0.000 1.025 418 Y CA -1.029 57.095 58.100 0.041 0.000 1.082 418 Y CB 1.003 39.478 38.460 0.024 0.000 1.264 418 Y HN 0.502 nan 8.280 nan 0.000 0.478 419 C N 1.294 120.769 119.300 0.292 0.000 2.745 419 C HA 0.090 4.550 4.460 -0.000 0.000 0.387 419 C C 0.525 175.647 174.990 0.219 0.000 1.312 419 C CA -0.250 58.873 59.018 0.175 0.000 2.204 419 C CB -0.670 27.211 27.740 0.235 0.000 2.686 419 C HN 0.728 nan 8.230 nan 0.000 0.705 420 H N 0.293 119.306 119.070 -0.094 0.000 2.472 420 H HA 0.488 5.044 4.556 -0.000 0.000 0.335 420 H C -0.354 174.874 175.328 -0.167 0.000 1.136 420 H CA -0.431 55.537 56.048 -0.134 0.000 1.264 420 H CB 0.956 30.599 29.762 -0.199 0.000 1.486 420 H HN 0.471 nan 8.280 nan 0.000 0.517 421 M N 3.243 122.767 119.600 -0.126 0.000 2.464 421 M HA 0.342 4.822 4.480 -0.000 0.000 0.308 421 M C -1.483 174.568 176.300 -0.414 0.000 1.127 421 M CA -0.808 54.315 55.300 -0.294 0.000 0.913 421 M CB 2.315 34.776 32.600 -0.232 0.000 1.689 421 M HN 0.235 nan 8.290 nan 0.000 0.445 422 L N 2.848 123.731 121.223 -0.566 0.000 2.354 422 L HA 0.683 5.023 4.340 -0.000 0.000 0.264 422 L C -0.594 175.904 176.870 -0.619 0.000 1.008 422 L CA -0.517 54.039 54.840 -0.472 0.000 0.819 422 L CB 2.054 43.923 42.059 -0.316 0.000 1.339 422 L HN 0.762 nan 8.230 nan 0.000 0.420 423 N N 0.167 118.647 118.700 -0.366 0.000 2.396 423 N HA 0.806 5.546 4.740 -0.000 0.000 0.275 423 N C -1.159 174.295 175.510 -0.095 0.000 1.218 423 N CA -0.627 52.284 53.050 -0.232 0.000 0.812 423 N CB 2.850 41.253 38.487 -0.140 0.000 1.592 423 N HN 0.703 nan 8.380 nan 0.000 0.480 424 G N 0.098 108.876 108.800 -0.037 0.000 2.768 424 G HA2 0.407 4.367 3.960 -0.000 0.000 0.297 424 G HA3 0.407 4.367 3.960 -0.000 0.000 0.297 424 G C -1.091 173.785 174.900 -0.039 0.000 1.430 424 G CA -0.525 44.558 45.100 -0.028 0.000 1.030 424 G HN 0.480 nan 8.290 nan 0.000 0.553 425 T N 3.082 117.608 114.554 -0.047 0.000 2.902 425 T HA 0.101 4.450 4.350 -0.000 0.000 0.301 425 T C 1.361 175.972 174.700 -0.150 0.000 1.012 425 T CA -0.308 61.744 62.100 -0.080 0.000 1.151 425 T CB 1.464 70.293 68.868 -0.065 0.000 0.946 425 T HN 0.392 nan 8.240 nan 0.000 0.542 426 L N 2.061 123.141 121.223 -0.238 0.000 2.189 426 L HA 0.358 4.698 4.340 -0.000 0.000 0.199 426 L C 0.598 177.116 176.870 -0.585 0.000 1.074 426 L CA 1.151 55.728 54.840 -0.439 0.000 0.783 426 L CB 0.352 42.100 42.059 -0.520 0.000 0.955 426 L HN 0.735 nan 8.230 nan 0.000 0.460 427 C N 1.276 120.313 119.300 -0.438 0.000 2.599 427 C HA 0.705 5.165 4.460 -0.000 0.000 0.354 427 C C 0.063 174.984 174.990 -0.115 0.000 1.092 427 C CA -0.935 57.904 59.018 -0.299 0.000 1.280 427 C CB 0.364 27.863 27.740 -0.401 0.000 1.829 427 C HN 0.503 nan 8.230 nan 0.000 0.454 428 A N 6.861 129.647 122.820 -0.055 0.000 2.279 428 A HA 0.505 4.825 4.320 -0.000 0.000 0.306 428 A C 1.068 178.642 177.584 -0.016 0.000 1.300 428 A CA -0.345 51.689 52.037 -0.005 0.000 0.925 428 A CB 0.075 19.023 19.000 -0.086 0.000 1.152 428 A HN 0.815 nan 8.150 nan 0.000 0.544 429 I N 2.822 123.417 120.570 0.041 0.000 2.202 429 I HA -0.191 3.979 4.170 -0.000 0.000 0.242 429 I C 2.809 178.923 176.117 -0.006 0.000 1.091 429 I CA 2.493 63.812 61.300 0.033 0.000 1.368 429 I CB -1.711 36.325 38.000 0.059 0.000 1.058 429 I HN 0.767 nan 8.210 nan 0.000 0.410 430 T N -0.838 113.692 114.554 -0.041 0.000 2.777 430 T HA -0.140 4.210 4.350 -0.000 0.000 0.266 430 T C 2.070 176.677 174.700 -0.155 0.000 1.040 430 T CA 0.840 62.872 62.100 -0.114 0.000 1.141 430 T CB -0.333 68.419 68.868 -0.194 0.000 0.868 430 T HN 0.253 nan 8.240 nan 0.000 0.444 431 R N 0.600 120.961 120.500 -0.233 0.000 2.092 431 R HA -0.015 4.325 4.340 -0.000 0.000 0.231 431 R C 2.796 179.100 176.300 0.007 0.000 1.119 431 R CA 1.714 57.697 56.100 -0.195 0.000 0.970 431 R CB -0.847 29.224 30.300 -0.381 0.000 0.864 431 R HN 0.432 nan 8.270 nan 0.000 0.440 432 T N 1.427 115.976 114.554 -0.008 0.000 2.746 432 T HA -0.124 4.225 4.350 -0.000 0.000 0.267 432 T C 1.886 176.580 174.700 -0.010 0.000 1.039 432 T CA 1.327 63.441 62.100 0.023 0.000 1.142 432 T CB -0.080 68.827 68.868 0.064 0.000 0.866 432 T HN 0.179 nan 8.240 nan 0.000 0.444 433 M N 0.541 120.133 119.600 -0.014 0.000 2.108 433 M HA -0.127 4.353 4.480 -0.000 0.000 0.261 433 M C 2.659 178.955 176.300 -0.006 0.000 1.066 433 M CA 1.308 56.598 55.300 -0.016 0.000 1.107 433 M CB -0.782 31.813 32.600 -0.009 0.000 1.356 433 M HN 0.349 nan 8.290 nan 0.000 0.406 434 C N -0.711 118.591 119.300 0.003 0.000 2.429 434 C HA -0.173 4.287 4.460 -0.000 0.000 0.277 434 C C 3.089 178.055 174.990 -0.040 0.000 1.262 434 C CA 0.563 59.604 59.018 0.037 0.000 1.733 434 C CB -1.194 26.488 27.740 -0.098 0.000 2.010 434 C HN 0.738 nan 8.230 nan 0.000 0.483 435 C N 0.723 119.886 119.300 -0.229 0.000 2.429 435 C HA -0.069 4.391 4.460 -0.000 0.000 0.277 435 C C 2.563 177.377 174.990 -0.294 0.000 1.262 435 C CA 1.107 59.704 59.018 -0.701 0.000 1.733 435 C CB -1.404 26.008 27.740 -0.547 0.000 2.010 435 C HN 0.608 nan 8.230 nan 0.000 0.483 436 I N 0.076 120.585 120.570 -0.101 0.000 2.226 436 I HA -0.228 3.941 4.170 -0.000 0.000 0.245 436 I C 2.702 178.865 176.117 0.075 0.000 1.100 436 I CA 1.682 62.994 61.300 0.021 0.000 1.374 436 I CB -0.538 37.411 38.000 -0.085 0.000 1.057 436 I HN 0.405 nan 8.210 nan 0.000 0.413 437 C N 0.662 119.979 119.300 0.029 0.000 2.413 437 C HA -0.163 4.297 4.460 -0.000 0.000 0.276 437 C C 2.709 177.743 174.990 0.073 0.000 1.248 437 C CA 1.000 60.061 59.018 0.071 0.000 1.742 437 C CB -1.034 26.768 27.740 0.104 0.000 2.017 437 C HN 0.494 nan 8.230 nan 0.000 0.481 438 E N 0.374 120.584 120.200 0.016 0.000 2.072 438 E HA -0.137 4.213 4.350 -0.000 0.000 0.191 438 E C 1.802 178.375 176.600 -0.045 0.000 0.985 438 E CA 0.806 57.195 56.400 -0.018 0.000 0.801 438 E CB -0.273 29.381 29.700 -0.076 0.000 0.750 438 E HN 0.647 nan 8.360 nan 0.000 0.452 439 N N -0.213 118.451 118.700 -0.059 0.000 2.354 439 N HA -0.076 4.664 4.740 -0.000 0.000 0.179 439 N C 0.712 176.104 175.510 -0.197 0.000 1.021 439 N CA 0.840 53.825 53.050 -0.109 0.000 0.887 439 N CB 0.194 38.622 38.487 -0.099 0.000 0.974 439 N HN 0.215 nan 8.380 nan 0.000 0.437 440 Y N 1.266 121.535 120.300 -0.051 0.000 2.584 440 Y HA 0.149 4.699 4.550 -0.000 0.000 0.254 440 Y C 0.695 176.571 175.900 -0.040 0.000 1.177 440 Y CA -0.556 57.517 58.100 -0.045 0.000 1.216 440 Y CB 0.151 38.577 38.460 -0.058 0.000 1.172 440 Y HN 0.044 nan 8.280 nan 0.000 0.529 441 Q N 1.023 120.868 119.800 0.076 0.000 2.392 441 Q HA 0.352 4.692 4.340 -0.000 0.000 0.262 441 Q C 0.011 176.039 176.000 0.048 0.000 1.003 441 Q CA 0.317 56.163 55.803 0.072 0.000 0.888 441 Q CB 1.049 29.860 28.738 0.123 0.000 1.260 441 Q HN 0.242 nan 8.270 nan 0.000 0.435 442 T N -2.108 112.472 114.554 0.044 0.000 2.804 442 T HA 0.205 4.555 4.350 -0.000 0.000 0.290 442 T C 0.935 175.713 174.700 0.131 0.000 1.099 442 T CA -0.335 61.795 62.100 0.050 0.000 1.011 442 T CB 1.180 70.052 68.868 0.008 0.000 1.291 442 T HN 0.722 nan 8.240 nan 0.000 0.523 443 E N 0.833 121.103 120.200 0.117 0.000 2.130 443 E HA -0.243 4.107 4.350 -0.000 0.000 0.196 443 E C 1.208 177.966 176.600 0.264 0.000 0.998 443 E CA 1.679 58.181 56.400 0.171 0.000 0.806 443 E CB -0.394 29.361 29.700 0.091 0.000 0.738 443 E HN 0.881 nan 8.360 nan 0.000 0.459 444 E N 0.539 120.804 120.200 0.109 0.000 2.400 444 E HA 0.252 4.602 4.350 -0.000 0.000 0.195 444 E C 0.862 177.252 176.600 -0.350 0.000 1.012 444 E CA 0.387 56.805 56.400 0.030 0.000 0.875 444 E CB 0.733 30.422 29.700 -0.018 0.000 0.859 444 E HN 0.404 nan 8.360 nan 0.000 0.498 445 G N 0.074 108.437 108.800 -0.727 0.000 2.513 445 G HA2 0.070 4.030 3.960 -0.000 0.000 0.182 445 G HA3 0.070 4.030 3.960 -0.000 0.000 0.182 445 G C -1.564 172.957 174.900 -0.632 0.000 1.190 445 G CA -0.717 43.578 45.100 -1.342 0.000 0.987 445 G HN -0.047 nan 8.290 nan 0.000 0.479 446 V N 0.945 120.629 119.914 -0.382 0.000 2.409 446 V HA 0.572 4.692 4.120 -0.000 0.000 0.291 446 V C 0.411 176.454 176.094 -0.084 0.000 1.020 446 V CA -0.684 61.531 62.300 -0.141 0.000 0.848 446 V CB 1.282 33.054 31.823 -0.084 0.000 0.990 446 V HN 0.675 nan 8.190 nan 0.000 0.430 447 V N 5.879 125.800 119.914 0.012 0.000 2.614 447 V HA 0.234 4.354 4.120 -0.000 0.000 0.291 447 V C 0.327 176.375 176.094 -0.077 0.000 1.049 447 V CA -0.315 62.002 62.300 0.028 0.000 1.038 447 V CB 1.229 33.141 31.823 0.148 0.000 0.980 447 V HN 0.537 nan 8.190 nan 0.000 0.481 448 I N 6.640 127.129 120.570 -0.134 0.000 2.416 448 I HA 0.284 4.454 4.170 -0.000 0.000 0.288 448 I C -2.106 173.810 176.117 -0.336 0.000 1.051 448 I CA -2.713 58.443 61.300 -0.242 0.000 1.375 448 I CB 0.787 38.697 38.000 -0.150 0.000 1.407 448 I HN 0.400 nan 8.210 nan 0.000 0.516 449 P HA 0.002 nan 4.420 nan 0.000 0.264 449 P C 0.469 177.615 177.300 -0.257 0.000 1.183 449 P CA 0.113 62.889 63.100 -0.538 0.000 0.763 449 P CB 0.690 32.009 31.700 -0.635 0.000 0.807 450 D N 2.031 122.354 120.400 -0.129 0.000 2.133 450 D HA -0.171 4.469 4.640 -0.000 0.000 0.192 450 D C 1.768 177.998 176.300 -0.117 0.000 1.001 450 D CA 1.715 55.666 54.000 -0.081 0.000 0.844 450 D CB -0.707 40.078 40.800 -0.025 0.000 0.944 450 D HN 0.292 nan 8.370 nan 0.000 0.447 451 V N -1.037 118.760 119.914 -0.194 0.000 2.759 451 V HA -0.116 4.004 4.120 -0.000 0.000 0.256 451 V C 2.194 178.095 176.094 -0.321 0.000 1.080 451 V CA 1.130 63.266 62.300 -0.274 0.000 1.101 451 V CB -0.818 30.720 31.823 -0.475 0.000 0.698 451 V HN 0.141 nan 8.190 nan 0.000 0.477 452 L N -0.707 120.328 121.223 -0.315 0.000 2.446 452 L HA 0.165 4.505 4.340 -0.000 0.000 0.219 452 L C 2.885 179.761 176.870 0.010 0.000 1.116 452 L CA 0.511 55.248 54.840 -0.172 0.000 0.844 452 L CB -0.436 41.479 42.059 -0.240 0.000 0.970 452 L HN 0.218 nan 8.230 nan 0.000 0.457 453 R N 0.735 121.213 120.500 -0.036 0.000 2.083 453 R HA -0.157 4.183 4.340 -0.000 0.000 0.237 453 R C -0.482 175.818 176.300 -0.001 0.000 1.137 453 R CA 1.483 57.570 56.100 -0.023 0.000 0.951 453 R CB -1.608 28.668 30.300 -0.040 0.000 0.851 453 R HN 0.310 nan 8.270 nan 0.000 0.434 454 P HA -0.130 nan 4.420 nan 0.000 0.225 454 P C 0.299 177.497 177.300 -0.170 0.000 1.148 454 P CA 1.247 64.282 63.100 -0.109 0.000 0.779 454 P CB -0.004 31.589 31.700 -0.177 0.000 0.780 455 Y N -0.750 119.546 120.300 -0.008 0.000 2.466 455 Y HA 0.213 4.763 4.550 -0.000 0.000 0.272 455 Y C 1.490 177.392 175.900 0.004 0.000 1.169 455 Y CA 0.148 58.259 58.100 0.018 0.000 1.285 455 Y CB -0.337 38.151 38.460 0.047 0.000 1.078 455 Y HN -0.027 nan 8.280 nan 0.000 0.523 456 M N -2.132 117.526 119.600 0.096 0.000 3.568 456 M HA 0.393 4.873 4.480 -0.000 0.000 0.386 456 M C -0.355 175.953 176.300 0.013 0.000 1.765 456 M CA -0.265 55.064 55.300 0.048 0.000 0.568 456 M CB 0.425 33.047 32.600 0.036 0.000 1.428 456 M HN 0.144 nan 8.290 nan 0.000 0.493 457 M N 0.522 120.123 119.600 0.001 0.000 2.682 457 M HA -0.230 4.250 4.480 -0.000 0.000 0.196 457 M C 0.947 177.237 176.300 -0.017 0.000 0.542 457 M CA 1.435 56.728 55.300 -0.011 0.000 0.593 457 M CB -2.362 30.235 32.600 -0.004 0.000 2.183 457 M HN 1.111 nan 8.290 nan 0.000 0.663 458 G N 0.249 109.036 108.800 -0.021 0.000 2.155 458 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.257 458 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.257 458 G C 0.046 174.932 174.900 -0.023 0.000 0.983 458 G CA 0.304 45.390 45.100 -0.024 0.000 0.676 458 G HN 0.642 nan 8.290 nan 0.000 0.528 459 I N 0.605 121.162 120.570 -0.022 0.000 2.618 459 I HA 0.119 4.289 4.170 -0.000 0.000 0.284 459 I C 1.487 177.581 176.117 -0.037 0.000 1.146 459 I CA 0.342 61.626 61.300 -0.027 0.000 1.425 459 I CB 0.713 38.698 38.000 -0.024 0.000 1.383 459 I HN 0.259 nan 8.210 nan 0.000 0.562 460 E N 5.560 125.738 120.200 -0.037 0.000 2.364 460 E HA 0.184 4.534 4.350 -0.000 0.000 0.196 460 E C 0.158 176.728 176.600 -0.049 0.000 0.990 460 E CA 0.333 56.709 56.400 -0.040 0.000 0.886 460 E CB 0.816 30.500 29.700 -0.026 0.000 0.866 460 E HN 0.580 nan 8.360 nan 0.000 0.493 461 M N 1.329 120.897 119.600 -0.055 0.000 2.414 461 M HA 0.307 4.787 4.480 -0.000 0.000 0.287 461 M C -1.940 174.311 176.300 -0.082 0.000 1.181 461 M CA -0.661 54.595 55.300 -0.073 0.000 0.933 461 M CB 2.103 34.660 32.600 -0.072 0.000 1.732 461 M HN -0.037 nan 8.290 nan 0.000 0.486 462 I N 0.793 121.299 120.570 -0.107 0.000 2.377 462 I HA 0.621 4.791 4.170 -0.000 0.000 0.293 462 I C -0.952 175.055 176.117 -0.183 0.000 0.987 462 I CA -0.787 60.450 61.300 -0.105 0.000 1.185 462 I CB 1.598 39.554 38.000 -0.074 0.000 1.341 462 I HN 0.747 nan 8.210 nan 0.000 0.455 463 R N 4.249 124.663 120.500 -0.143 0.000 2.604 463 R HA 0.542 4.882 4.340 -0.000 0.000 0.287 463 R C -1.039 175.196 176.300 -0.108 0.000 0.970 463 R CA -0.773 55.218 56.100 -0.181 0.000 0.946 463 R CB 1.545 31.802 30.300 -0.072 0.000 1.127 463 R HN 0.443 nan 8.270 nan 0.000 0.473 464 F N 1.524 121.480 119.950 0.011 0.000 2.553 464 F HA 0.011 4.538 4.527 -0.000 0.000 0.356 464 F C 1.592 177.397 175.800 0.009 0.000 1.142 464 F CA 0.078 58.084 58.000 0.010 0.000 1.322 464 F CB 0.115 39.120 39.000 0.007 0.000 1.126 464 F HN 0.385 nan 8.300 nan 0.000 0.599 465 E N 0.000 120.333 120.200 0.222 0.000 2.725 465 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 465 E CA 0.000 56.471 56.400 0.118 0.000 0.976 465 E CB 0.000 29.750 29.700 0.083 0.000 0.812 465 E HN 0.000 nan 8.360 nan 0.000 0.440