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 1szf_1_B DATA FIRST_RESID 100 DATA SEQUENCE GETKEDIARK EQLKSLLPPL DNIINLYDFE YLASQTLTKQ AWAYYSSGAN DATA SEQUENCE DEVTHRENHN AYHRIFFKPK ILVDVRKVDI STDMLGSHVD VPFYVSATGL DATA SEQUENCE CKLGNPLEGE KDVARGCGQG VTKVPQMIST AASCSPEEII EAAPSDKQIQ DATA SEQUENCE WYQLYVNSDR KITDDLVKNV EKLGVKALFV TVDAPSLGQR EKDMKLKFXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XALSKFIDPS LTWKDIEELK KKTKLPIVIK DATA SEQUENCE GVQRTEDVIK AAEIGVSGVV LSNHGGRQLD FSRAPIEVLA ETMPILEQRN DATA SEQUENCE LKDKLEVFVD GGVRRGTDVL KALCLGAKGV GLGRPFLYAN SCYGRNGVEK DATA SEQUENCE AIEILRDEIE MSMRLLGVTS IAELKPDLLD LSTLKARTVG VPNDVLYNEV DATA SEQUENCE YEGPTLTEFE DA 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 100 G HA2 0.000 nan 3.960 nan 0.000 0.244 100 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 100 G C 0.000 174.902 174.900 0.004 0.000 0.946 100 G CA 0.000 45.107 45.100 0.011 0.000 0.502 101 E N -1.508 118.693 120.200 0.003 0.000 4.943 101 E HA -0.147 4.203 4.350 -0.000 0.000 0.196 101 E C -0.791 175.807 176.600 -0.003 0.000 1.177 101 E CA 0.596 56.995 56.400 -0.002 0.000 1.160 101 E CB -2.431 27.266 29.700 -0.005 0.000 1.030 101 E HN 0.695 nan 8.360 nan 0.000 0.391 102 T N 2.068 116.620 114.554 -0.004 0.000 3.275 102 T HA 0.229 4.579 4.350 -0.000 0.000 0.265 102 T C 0.929 175.626 174.700 -0.005 0.000 0.978 102 T CA 0.116 62.214 62.100 -0.003 0.000 0.923 102 T CB 0.226 69.094 68.868 -0.001 0.000 1.126 102 T HN 0.661 nan 8.240 nan 0.000 0.538 103 K N 1.905 122.301 120.400 -0.006 0.000 3.539 103 K HA -0.403 3.917 4.320 -0.000 0.000 0.283 103 K C 1.433 178.028 176.600 -0.009 0.000 1.072 103 K CA 2.198 58.480 56.287 -0.007 0.000 1.092 103 K CB -1.436 31.061 32.500 -0.005 0.000 1.433 103 K HN 0.419 nan 8.250 nan 0.000 0.429 104 E N 1.877 122.071 120.200 -0.010 0.000 2.164 104 E HA -0.303 4.047 4.350 -0.000 0.000 0.206 104 E C 1.052 177.641 176.600 -0.018 0.000 1.032 104 E CA 2.316 58.709 56.400 -0.013 0.000 0.832 104 E CB -0.626 29.067 29.700 -0.013 0.000 0.742 104 E HN 0.766 nan 8.360 nan 0.000 0.460 105 D N 0.509 120.898 120.400 -0.018 0.000 2.408 105 D HA -0.151 4.489 4.640 -0.000 0.000 0.248 105 D C 1.665 177.951 176.300 -0.022 0.000 1.122 105 D CA 0.267 54.254 54.000 -0.022 0.000 0.964 105 D CB -0.409 40.380 40.800 -0.019 0.000 0.884 105 D HN 0.372 nan 8.370 nan 0.000 0.524 106 I N 0.053 120.612 120.570 -0.020 0.000 3.228 106 I HA 0.098 4.268 4.170 -0.000 0.000 0.279 106 I C 2.315 178.418 176.117 -0.024 0.000 1.221 106 I CA 0.457 61.745 61.300 -0.020 0.000 1.458 106 I CB -0.005 37.986 38.000 -0.015 0.000 1.105 106 I HN 0.051 nan 8.210 nan 0.000 0.445 107 A N 0.468 123.272 122.820 -0.026 0.000 1.940 107 A HA -0.242 4.078 4.320 -0.000 0.000 0.219 107 A C 2.315 179.873 177.584 -0.043 0.000 1.176 107 A CA 1.735 53.754 52.037 -0.031 0.000 0.631 107 A CB -0.495 18.486 19.000 -0.032 0.000 0.814 107 A HN 0.326 nan 8.150 nan 0.000 0.446 108 R N -0.127 120.345 120.500 -0.047 0.000 2.070 108 R HA -0.035 4.305 4.340 -0.000 0.000 0.232 108 R C 2.099 178.368 176.300 -0.052 0.000 1.138 108 R CA 1.536 57.601 56.100 -0.059 0.000 0.936 108 R CB -0.283 29.984 30.300 -0.055 0.000 0.839 108 R HN 0.277 nan 8.270 nan 0.000 0.429 109 K N 0.655 121.032 120.400 -0.038 0.000 2.160 109 K HA -0.199 4.120 4.320 -0.000 0.000 0.206 109 K C 1.884 178.465 176.600 -0.033 0.000 1.047 109 K CA 1.336 57.603 56.287 -0.033 0.000 0.930 109 K CB -0.192 32.294 32.500 -0.024 0.000 0.720 109 K HN 0.418 nan 8.250 nan 0.000 0.450 110 E N 0.598 120.780 120.200 -0.031 0.000 2.072 110 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 110 E C 1.812 178.391 176.600 -0.034 0.000 0.985 110 E CA 0.806 57.190 56.400 -0.027 0.000 0.801 110 E CB 0.257 29.943 29.700 -0.023 0.000 0.750 110 E HN 0.235 nan 8.360 nan 0.000 0.452 111 Q N 0.539 120.310 119.800 -0.047 0.000 1.993 111 Q HA -0.191 4.149 4.340 -0.000 0.000 0.202 111 Q C 2.613 178.574 176.000 -0.066 0.000 0.984 111 Q CA 1.698 57.465 55.803 -0.060 0.000 0.837 111 Q CB -0.520 28.165 28.738 -0.089 0.000 0.902 111 Q HN 0.480 nan 8.270 nan 0.000 0.423 112 L N -0.209 120.969 121.223 -0.075 0.000 2.362 112 L HA 0.136 4.476 4.340 -0.000 0.000 0.219 112 L C 1.455 178.282 176.870 -0.071 0.000 1.134 112 L CA 0.299 55.085 54.840 -0.091 0.000 0.807 112 L CB -0.653 41.350 42.059 -0.094 0.000 0.927 112 L HN -0.041 nan 8.230 nan 0.000 0.447 113 K N 0.937 121.310 120.400 -0.045 0.000 2.402 113 K HA -0.063 4.257 4.320 -0.000 0.000 0.265 113 K C 1.297 177.885 176.600 -0.020 0.000 0.978 113 K CA 0.622 56.892 56.287 -0.027 0.000 0.913 113 K CB 0.728 33.217 32.500 -0.019 0.000 0.954 113 K HN 0.044 nan 8.250 nan 0.000 0.511 114 S N 1.481 117.178 115.700 -0.004 0.000 2.475 114 S HA -0.204 4.265 4.470 -0.000 0.000 0.264 114 S C 1.530 176.140 174.600 0.017 0.000 1.017 114 S CA 1.203 59.411 58.200 0.012 0.000 0.985 114 S CB -0.334 62.875 63.200 0.015 0.000 0.751 114 S HN 0.495 nan 8.310 nan 0.000 0.508 115 L N 0.281 121.507 121.223 0.004 0.000 2.127 115 L HA -0.063 4.276 4.340 -0.000 0.000 0.211 115 L C 0.931 177.812 176.870 0.019 0.000 1.089 115 L CA 0.715 55.560 54.840 0.008 0.000 0.757 115 L CB -0.570 41.486 42.059 -0.005 0.000 0.899 115 L HN 0.311 nan 8.230 nan 0.000 0.434 116 L N 1.749 122.974 121.223 0.004 0.000 2.540 116 L HA 0.016 4.356 4.340 -0.000 0.000 0.276 116 L C -1.644 175.296 176.870 0.118 0.000 1.212 116 L CA -1.165 53.694 54.840 0.030 0.000 0.893 116 L CB -0.067 41.940 42.059 -0.088 0.000 1.138 116 L HN -0.041 nan 8.230 nan 0.000 0.491 117 P HA 0.199 nan 4.420 nan 0.000 0.274 117 P C -2.573 174.845 177.300 0.197 0.000 1.237 117 P CA -1.585 61.601 63.100 0.143 0.000 0.793 117 P CB -0.212 31.553 31.700 0.109 0.000 0.977 118 P HA 0.029 nan 4.420 nan 0.000 0.264 118 P C 1.523 178.827 177.300 0.007 0.000 1.183 118 P CA 0.100 63.254 63.100 0.090 0.000 0.763 118 P CB 0.250 31.974 31.700 0.040 0.000 0.807 119 L N 2.264 123.444 121.223 -0.071 0.000 2.103 119 L HA -0.263 4.077 4.340 -0.000 0.000 0.215 119 L C 1.079 177.824 176.870 -0.207 0.000 1.080 119 L CA 2.000 56.631 54.840 -0.349 0.000 0.764 119 L CB -0.314 41.576 42.059 -0.282 0.000 0.890 119 L HN 0.402 nan 8.230 nan 0.000 0.435 120 D N -0.688 119.653 120.400 -0.099 0.000 2.371 120 D HA -0.092 4.548 4.640 -0.000 0.000 0.221 120 D C 1.489 177.743 176.300 -0.076 0.000 0.986 120 D CA 0.595 54.551 54.000 -0.073 0.000 0.899 120 D CB -0.166 40.613 40.800 -0.036 0.000 0.902 120 D HN 0.535 nan 8.370 nan 0.000 0.530 121 N N 0.024 118.676 118.700 -0.080 0.000 2.398 121 N HA -0.007 4.733 4.740 -0.000 0.000 0.188 121 N C -0.013 175.426 175.510 -0.119 0.000 1.122 121 N CA -0.174 52.833 53.050 -0.072 0.000 0.866 121 N CB 0.786 39.252 38.487 -0.036 0.000 0.970 121 N HN 0.018 nan 8.380 nan 0.000 0.462 122 I N 1.600 122.051 120.570 -0.199 0.000 2.396 122 I HA 0.064 4.233 4.170 -0.000 0.000 0.289 122 I C 1.293 177.257 176.117 -0.255 0.000 1.056 122 I CA 0.143 61.251 61.300 -0.321 0.000 1.365 122 I CB 0.793 38.408 38.000 -0.640 0.000 1.407 122 I HN 0.039 nan 8.210 nan 0.000 0.509 123 I N 5.703 126.146 120.570 -0.211 0.000 2.810 123 I HA -0.003 4.167 4.170 -0.000 0.000 0.262 123 I C 0.998 177.034 176.117 -0.135 0.000 1.131 123 I CA 0.487 61.706 61.300 -0.135 0.000 1.453 123 I CB 0.179 38.127 38.000 -0.087 0.000 1.161 123 I HN 0.692 nan 8.210 nan 0.000 0.444 124 N N -0.899 117.702 118.700 -0.165 0.000 2.902 124 N HA 0.179 4.919 4.740 -0.000 0.000 0.268 124 N C -0.033 175.361 175.510 -0.193 0.000 1.450 124 N CA -0.682 52.279 53.050 -0.148 0.000 0.819 124 N CB 1.881 40.325 38.487 -0.073 0.000 1.540 124 N HN -0.260 nan 8.380 nan 0.000 0.545 125 L N 0.092 121.181 121.223 -0.223 0.000 2.201 125 L HA 0.047 4.387 4.340 -0.000 0.000 0.212 125 L C 1.902 178.713 176.870 -0.099 0.000 1.105 125 L CA 1.281 56.033 54.840 -0.146 0.000 0.775 125 L CB -1.430 40.439 42.059 -0.318 0.000 0.913 125 L HN 0.570 nan 8.230 nan 0.000 0.440 126 Y N -0.690 119.618 120.300 0.012 0.000 2.352 126 Y HA -0.186 4.364 4.550 -0.000 0.000 0.292 126 Y C 2.299 178.227 175.900 0.045 0.000 1.136 126 Y CA 0.460 58.575 58.100 0.025 0.000 1.227 126 Y CB -0.210 38.241 38.460 -0.015 0.000 0.991 126 Y HN 0.200 nan 8.280 nan 0.000 0.545 127 D N -0.044 120.416 120.400 0.101 0.000 2.097 127 D HA -0.159 4.481 4.640 -0.000 0.000 0.195 127 D C 1.875 178.242 176.300 0.112 0.000 0.989 127 D CA 1.301 55.324 54.000 0.039 0.000 0.827 127 D CB -0.479 40.229 40.800 -0.154 0.000 0.966 127 D HN 0.186 nan 8.370 nan 0.000 0.456 128 F N 1.374 121.404 119.950 0.133 0.000 2.095 128 F HA -0.129 4.398 4.527 -0.000 0.000 0.298 128 F C 2.494 178.364 175.800 0.116 0.000 1.104 128 F CA 1.008 59.104 58.000 0.160 0.000 1.232 128 F CB -0.739 38.348 39.000 0.145 0.000 0.987 128 F HN 0.025 nan 8.300 nan 0.000 0.475 129 E N -0.950 119.410 120.200 0.266 0.000 2.058 129 E HA -0.299 4.051 4.350 -0.000 0.000 0.194 129 E C 2.294 178.839 176.600 -0.091 0.000 0.997 129 E CA 1.443 57.795 56.400 -0.080 0.000 0.801 129 E CB -0.493 29.230 29.700 0.039 0.000 0.746 129 E HN 0.527 nan 8.360 nan 0.000 0.450 130 Y N 0.514 120.787 120.300 -0.045 0.000 2.089 130 Y HA -0.270 4.280 4.550 -0.000 0.000 0.282 130 Y C 1.953 177.773 175.900 -0.134 0.000 1.139 130 Y CA 1.383 59.426 58.100 -0.095 0.000 1.123 130 Y CB -0.262 38.172 38.460 -0.044 0.000 0.980 130 Y HN 0.075 nan 8.280 nan 0.000 0.493 131 L N 0.882 121.985 121.223 -0.200 0.000 2.013 131 L HA -0.253 4.087 4.340 -0.000 0.000 0.212 131 L C 2.786 179.497 176.870 -0.265 0.000 1.073 131 L CA 2.044 56.738 54.840 -0.243 0.000 0.753 131 L CB -1.991 40.109 42.059 0.068 0.000 0.890 131 L HN 0.466 nan 8.230 nan 0.000 0.432 132 A N -0.807 121.927 122.820 -0.142 0.000 1.933 132 A HA -0.222 4.098 4.320 -0.000 0.000 0.218 132 A C 2.518 179.876 177.584 -0.377 0.000 1.175 132 A CA 2.025 54.005 52.037 -0.095 0.000 0.628 132 A CB -0.818 18.264 19.000 0.137 0.000 0.814 132 A HN 0.564 nan 8.150 nan 0.000 0.444 133 S N -1.178 114.056 115.700 -0.778 0.000 2.423 133 S HA -0.155 4.315 4.470 -0.000 0.000 0.231 133 S C 1.729 175.776 174.600 -0.922 0.000 1.014 133 S CA 1.349 58.690 58.200 -1.432 0.000 0.965 133 S CB -0.242 62.111 63.200 -1.411 0.000 0.785 133 S HN 0.540 nan 8.310 nan 0.000 0.495 134 Q N 1.051 120.452 119.800 -0.666 0.000 2.339 134 Q HA 0.105 4.444 4.340 -0.000 0.000 0.205 134 Q C 2.276 178.088 176.000 -0.313 0.000 0.925 134 Q CA 1.676 57.193 55.803 -0.478 0.000 0.898 134 Q CB -0.483 27.954 28.738 -0.501 0.000 1.013 134 Q HN 0.916 nan 8.270 nan 0.000 0.504 135 T N -2.786 111.607 114.554 -0.269 0.000 3.034 135 T HA 0.248 4.598 4.350 -0.000 0.000 0.248 135 T C 1.172 175.817 174.700 -0.092 0.000 1.040 135 T CA -0.214 61.792 62.100 -0.155 0.000 1.107 135 T CB -0.071 68.720 68.868 -0.129 0.000 0.932 135 T HN -0.041 nan 8.240 nan 0.000 0.474 136 L N 3.264 124.449 121.223 -0.065 0.000 2.482 136 L HA 0.273 4.613 4.340 -0.000 0.000 0.273 136 L C 1.093 177.975 176.870 0.020 0.000 1.228 136 L CA -0.485 54.379 54.840 0.041 0.000 0.827 136 L CB 0.240 42.413 42.059 0.189 0.000 1.099 136 L HN 0.369 nan 8.230 nan 0.000 0.494 137 T N -1.720 112.859 114.554 0.043 0.000 2.918 137 T HA 0.102 4.452 4.350 -0.000 0.000 0.302 137 T C 0.981 175.726 174.700 0.075 0.000 1.045 137 T CA -0.708 61.410 62.100 0.029 0.000 1.114 137 T CB 0.891 69.765 68.868 0.011 0.000 0.965 137 T HN 0.535 nan 8.240 nan 0.000 0.540 138 K N 1.042 121.480 120.400 0.063 0.000 2.097 138 K HA -0.324 3.996 4.320 -0.000 0.000 0.214 138 K C 2.460 179.130 176.600 0.116 0.000 1.052 138 K CA 2.484 58.836 56.287 0.109 0.000 0.932 138 K CB -0.231 32.306 32.500 0.062 0.000 0.716 138 K HN 0.925 nan 8.250 nan 0.000 0.455 139 Q N 0.193 120.018 119.800 0.042 0.000 2.187 139 Q HA -0.040 4.300 4.340 -0.000 0.000 0.199 139 Q C 1.988 177.965 176.000 -0.039 0.000 0.957 139 Q CA 1.188 56.987 55.803 -0.006 0.000 0.857 139 Q CB -0.089 28.622 28.738 -0.045 0.000 0.929 139 Q HN 0.250 nan 8.270 nan 0.000 0.453 140 A N 1.402 124.194 122.820 -0.047 0.000 1.877 140 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 140 A C 1.912 179.409 177.584 -0.144 0.000 1.186 140 A CA 1.195 53.115 52.037 -0.195 0.000 0.620 140 A CB -1.584 17.370 19.000 -0.075 0.000 0.822 140 A HN 0.794 nan 8.150 nan 0.000 0.443 141 W N 0.630 121.883 121.300 -0.079 0.000 2.354 141 W HA -0.209 4.451 4.660 -0.000 0.000 0.315 141 W C 2.398 178.938 176.519 0.034 0.000 1.206 141 W CA 1.862 59.229 57.345 0.036 0.000 1.290 141 W CB -0.240 29.235 29.460 0.025 0.000 1.152 141 W HN 0.431 nan 8.180 nan 0.000 0.489 142 A N -0.095 122.697 122.820 -0.046 0.000 1.883 142 A HA -0.330 3.990 4.320 -0.000 0.000 0.217 142 A C 1.826 179.307 177.584 -0.171 0.000 1.186 142 A CA 1.952 53.894 52.037 -0.158 0.000 0.624 142 A CB -1.787 17.191 19.000 -0.036 0.000 0.822 142 A HN 0.620 nan 8.150 nan 0.000 0.444 143 Y N -1.288 118.872 120.300 -0.234 0.000 2.242 143 Y HA -0.226 4.324 4.550 -0.000 0.000 0.291 143 Y C 2.123 177.946 175.900 -0.128 0.000 1.137 143 Y CA 1.915 59.885 58.100 -0.216 0.000 1.181 143 Y CB -0.220 38.083 38.460 -0.261 0.000 0.989 143 Y HN 0.449 nan 8.280 nan 0.000 0.527 144 Y N -1.103 119.046 120.300 -0.251 0.000 2.231 144 Y HA -0.159 4.391 4.550 -0.000 0.000 0.294 144 Y C 2.805 178.468 175.900 -0.395 0.000 1.120 144 Y CA 0.512 58.414 58.100 -0.331 0.000 1.141 144 Y CB -0.310 38.107 38.460 -0.072 0.000 1.022 144 Y HN 0.181 nan 8.280 nan 0.000 0.523 145 S N -0.778 114.698 115.700 -0.374 0.000 2.489 145 S HA -0.013 4.457 4.470 -0.000 0.000 0.228 145 S C 0.898 175.228 174.600 -0.450 0.000 0.995 145 S CA -0.154 57.720 58.200 -0.544 0.000 0.934 145 S CB -0.367 61.969 63.200 -1.440 0.000 0.771 145 S HN 0.062 nan 8.310 nan 0.000 0.522 146 S N 1.123 116.578 115.700 -0.408 0.000 2.568 146 S HA 0.573 5.043 4.470 -0.000 0.000 0.282 146 S C 0.555 174.928 174.600 -0.378 0.000 1.338 146 S CA 0.113 58.117 58.200 -0.325 0.000 1.045 146 S CB 0.601 63.650 63.200 -0.251 0.000 0.873 146 S HN 0.756 nan 8.310 nan 0.000 0.516 147 G N 0.283 108.912 108.800 -0.286 0.000 3.105 147 G HA2 0.703 4.663 3.960 -0.000 0.000 0.277 147 G HA3 0.703 4.663 3.960 -0.000 0.000 0.277 147 G C -1.142 173.684 174.900 -0.124 0.000 1.375 147 G CA -0.479 44.478 45.100 -0.239 0.000 0.962 147 G HN 0.917 nan 8.290 nan 0.000 0.541 148 A N -0.573 122.198 122.820 -0.083 0.000 2.331 148 A HA 0.580 4.900 4.320 -0.000 0.000 0.283 148 A C 0.943 178.510 177.584 -0.029 0.000 1.142 148 A CA 0.517 52.523 52.037 -0.052 0.000 0.812 148 A CB -0.400 18.575 19.000 -0.041 0.000 1.074 148 A HN 1.020 nan 8.150 nan 0.000 0.497 149 N N 1.026 119.720 118.700 -0.011 0.000 1.320 149 N HA -0.275 4.465 4.740 -0.000 0.000 0.139 149 N C 0.227 175.744 175.510 0.012 0.000 0.550 149 N CA 2.247 55.306 53.050 0.015 0.000 1.036 149 N CB -0.668 37.845 38.487 0.042 0.000 1.344 149 N HN 0.773 nan 8.380 nan 0.000 0.468 150 D N 1.835 122.246 120.400 0.019 0.000 2.355 150 D HA 0.009 4.649 4.640 -0.000 0.000 0.218 150 D C -0.131 176.158 176.300 -0.018 0.000 1.004 150 D CA 0.688 54.697 54.000 0.015 0.000 0.880 150 D CB -0.135 40.696 40.800 0.052 0.000 0.911 150 D HN 0.491 nan 8.370 nan 0.000 0.528 151 E N -0.630 119.548 120.200 -0.037 0.000 2.694 151 E HA -0.198 4.152 4.350 -0.000 0.000 0.272 151 E C 1.407 177.980 176.600 -0.045 0.000 1.040 151 E CA 0.324 56.720 56.400 -0.006 0.000 0.809 151 E CB -1.844 27.888 29.700 0.054 0.000 1.389 151 E HN 0.311 nan 8.360 nan 0.000 0.413 152 V N -3.047 116.754 119.914 -0.189 0.000 2.407 152 V HA -0.161 3.959 4.120 -0.000 0.000 0.245 152 V C 2.027 177.982 176.094 -0.231 0.000 1.041 152 V CA 2.136 64.273 62.300 -0.271 0.000 1.040 152 V CB -0.232 31.288 31.823 -0.505 0.000 0.671 152 V HN 0.261 nan 8.190 nan 0.000 0.455 153 T N 0.158 114.565 114.554 -0.244 0.000 2.746 153 T HA -0.197 4.152 4.350 -0.000 0.000 0.267 153 T C 1.785 176.482 174.700 -0.005 0.000 1.039 153 T CA 2.276 64.304 62.100 -0.121 0.000 1.142 153 T CB -0.578 68.238 68.868 -0.087 0.000 0.866 153 T HN 0.850 nan 8.240 nan 0.000 0.444 154 H N 1.671 120.694 119.070 -0.079 0.000 2.289 154 H HA -0.065 4.490 4.556 -0.000 0.000 0.294 154 H C 2.337 177.657 175.328 -0.013 0.000 1.095 154 H CA 1.913 57.937 56.048 -0.040 0.000 1.256 154 H CB -0.117 29.615 29.762 -0.049 0.000 1.359 154 H HN 0.251 nan 8.280 nan 0.000 0.487 155 R N -0.609 119.781 120.500 -0.183 0.000 2.100 155 R HA -0.040 4.300 4.340 -0.000 0.000 0.220 155 R C 2.324 178.567 176.300 -0.096 0.000 1.091 155 R CA 1.063 57.032 56.100 -0.219 0.000 0.986 155 R CB -0.035 30.179 30.300 -0.143 0.000 0.888 155 R HN 0.355 nan 8.270 nan 0.000 0.444 156 E N 1.204 121.356 120.200 -0.081 0.000 2.204 156 E HA -0.179 4.171 4.350 -0.000 0.000 0.195 156 E C 1.335 177.906 176.600 -0.049 0.000 0.990 156 E CA 1.307 57.667 56.400 -0.066 0.000 0.821 156 E CB -0.140 29.516 29.700 -0.074 0.000 0.750 156 E HN 0.141 nan 8.360 nan 0.000 0.477 157 N N -0.299 118.393 118.700 -0.013 0.000 2.094 157 N HA -0.204 4.536 4.740 -0.000 0.000 0.191 157 N C 1.600 177.178 175.510 0.113 0.000 1.023 157 N CA 1.665 54.737 53.050 0.036 0.000 0.857 157 N CB -0.502 38.037 38.487 0.088 0.000 1.013 157 N HN 0.453 nan 8.380 nan 0.000 0.426 158 H N 0.264 119.342 119.070 0.013 0.000 2.329 158 H HA 0.212 4.768 4.556 -0.000 0.000 0.306 158 H C 1.429 176.728 175.328 -0.047 0.000 1.062 158 H CA 1.569 57.653 56.048 0.061 0.000 1.364 158 H CB -0.325 29.403 29.762 -0.056 0.000 1.409 158 H HN 0.245 nan 8.280 nan 0.000 0.519 159 N N 0.031 118.584 118.700 -0.245 0.000 2.272 159 N HA -0.146 4.594 4.740 -0.000 0.000 0.185 159 N C 1.823 177.178 175.510 -0.259 0.000 1.014 159 N CA 0.643 53.462 53.050 -0.386 0.000 0.870 159 N CB -0.076 38.309 38.487 -0.171 0.000 0.975 159 N HN 0.448 nan 8.380 nan 0.000 0.433 160 A N 0.333 123.045 122.820 -0.179 0.000 2.015 160 A HA -0.127 4.193 4.320 -0.000 0.000 0.219 160 A C 1.472 178.947 177.584 -0.182 0.000 1.163 160 A CA 0.907 52.844 52.037 -0.167 0.000 0.646 160 A CB -0.670 18.210 19.000 -0.199 0.000 0.806 160 A HN 0.314 nan 8.150 nan 0.000 0.448 161 Y N -0.187 120.030 120.300 -0.138 0.000 2.256 161 Y HA -0.222 4.328 4.550 -0.000 0.000 0.288 161 Y C 2.237 178.115 175.900 -0.038 0.000 1.155 161 Y CA 1.815 59.861 58.100 -0.091 0.000 1.203 161 Y CB -0.528 37.876 38.460 -0.094 0.000 0.980 161 Y HN 0.563 nan 8.280 nan 0.000 0.530 162 H N -0.903 118.094 119.070 -0.121 0.000 2.556 162 H HA 0.055 4.611 4.556 -0.000 0.000 0.268 162 H C 1.556 176.851 175.328 -0.055 0.000 0.996 162 H CA 0.022 55.977 56.048 -0.156 0.000 1.157 162 H CB 0.188 29.876 29.762 -0.124 0.000 1.355 162 H HN 0.321 nan 8.280 nan 0.000 0.597 163 R N 0.574 121.118 120.500 0.073 0.000 2.297 163 R HA 0.143 4.482 4.340 -0.000 0.000 0.197 163 R C 0.042 176.400 176.300 0.096 0.000 0.943 163 R CA 0.264 56.418 56.100 0.090 0.000 1.038 163 R CB 0.474 30.791 30.300 0.028 0.000 0.957 163 R HN 0.184 nan 8.270 nan 0.000 0.484 164 I N 0.892 121.458 120.570 -0.006 0.000 2.354 164 I HA 0.255 4.425 4.170 -0.000 0.000 0.292 164 I C -0.443 175.523 176.117 -0.251 0.000 0.989 164 I CA -0.582 60.678 61.300 -0.066 0.000 1.188 164 I CB 1.082 39.007 38.000 -0.125 0.000 1.342 164 I HN -0.231 nan 8.210 nan 0.000 0.457 165 F N 4.584 124.397 119.950 -0.229 0.000 2.594 165 F HA 0.580 5.107 4.527 -0.000 0.000 0.335 165 F C -0.262 175.388 175.800 -0.250 0.000 1.058 165 F CA -0.532 57.310 58.000 -0.264 0.000 0.981 165 F CB 1.358 40.296 39.000 -0.103 0.000 1.289 165 F HN 0.106 nan 8.300 nan 0.000 0.490 166 F N 0.605 120.662 119.950 0.178 0.000 2.425 166 F HA 0.473 5.000 4.527 -0.000 0.000 0.331 166 F C -0.146 175.718 175.800 0.107 0.000 1.085 166 F CA -1.150 56.909 58.000 0.099 0.000 1.028 166 F CB 1.450 40.478 39.000 0.048 0.000 1.177 166 F HN 0.131 nan 8.300 nan 0.000 0.487 167 K N 3.984 124.564 120.400 0.299 0.000 2.499 167 K HA 0.310 4.630 4.320 -0.000 0.000 0.215 167 K C -2.611 174.064 176.600 0.126 0.000 1.041 167 K CA -1.690 54.701 56.287 0.172 0.000 1.031 167 K CB 0.594 33.167 32.500 0.123 0.000 1.479 167 K HN 0.208 nan 8.250 nan 0.000 0.518 168 P HA 0.111 nan 4.420 nan 0.000 0.278 168 P C -0.873 176.438 177.300 0.019 0.000 1.238 168 P CA -0.468 62.645 63.100 0.022 0.000 0.794 168 P CB 0.921 32.613 31.700 -0.014 0.000 0.955 169 K N 2.214 122.615 120.400 0.003 0.000 2.276 169 K HA 0.369 4.688 4.320 -0.000 0.000 0.283 169 K C 0.429 177.027 176.600 -0.003 0.000 1.044 169 K CA -0.527 55.763 56.287 0.004 0.000 0.944 169 K CB 0.196 32.698 32.500 0.003 0.000 1.012 169 K HN 0.413 nan 8.250 nan 0.000 0.472 170 I N -0.582 119.989 120.570 0.002 0.000 2.947 170 I HA 0.341 4.511 4.170 -0.000 0.000 0.314 170 I C 0.104 176.221 176.117 0.000 0.000 1.028 170 I CA -0.829 60.470 61.300 -0.001 0.000 1.077 170 I CB 0.685 38.686 38.000 0.002 0.000 1.274 170 I HN 0.651 nan 8.210 nan 0.000 0.485 171 L N 0.770 121.992 121.223 -0.001 0.000 3.598 171 L HA -0.119 4.220 4.340 -0.000 0.000 0.422 171 L C -0.904 175.965 176.870 -0.000 0.000 1.262 171 L CA -0.099 54.740 54.840 -0.000 0.000 0.889 171 L CB -1.612 40.448 42.059 0.002 0.000 1.857 171 L HN 0.552 nan 8.230 nan 0.000 0.858 172 V N -0.537 119.376 119.914 -0.003 0.000 2.495 172 V HA 0.299 4.419 4.120 -0.000 0.000 0.298 172 V C 0.345 176.437 176.094 -0.004 0.000 1.031 172 V CA -0.541 61.757 62.300 -0.003 0.000 0.871 172 V CB 2.025 33.846 31.823 -0.004 0.000 0.988 172 V HN 0.166 nan 8.190 nan 0.000 0.432 173 D N 3.769 124.168 120.400 -0.002 0.000 2.368 173 D HA 0.052 4.692 4.640 -0.000 0.000 0.268 173 D C 0.590 176.888 176.300 -0.003 0.000 1.298 173 D CA 0.267 54.266 54.000 -0.002 0.000 0.938 173 D CB 1.200 42.000 40.800 0.000 0.000 1.101 173 D HN 0.453 nan 8.370 nan 0.000 0.509 174 V N 2.256 122.167 119.914 -0.005 0.000 3.070 174 V HA 0.293 4.413 4.120 -0.000 0.000 0.345 174 V C 1.859 177.950 176.094 -0.005 0.000 1.403 174 V CA -0.534 61.761 62.300 -0.007 0.000 1.155 174 V CB 0.051 31.866 31.823 -0.014 0.000 1.140 174 V HN 0.413 nan 8.190 nan 0.000 0.505 175 R N 1.420 121.919 120.500 -0.002 0.000 2.103 175 R HA -0.028 4.311 4.340 -0.000 0.000 0.242 175 R C 0.940 177.240 176.300 0.001 0.000 1.142 175 R CA 1.325 57.425 56.100 -0.001 0.000 0.960 175 R CB 0.153 30.453 30.300 0.000 0.000 0.858 175 R HN 0.511 nan 8.270 nan 0.000 0.439 176 K N 0.509 120.911 120.400 0.003 0.000 2.244 176 K HA 0.337 4.657 4.320 -0.000 0.000 0.260 176 K C -1.636 174.968 176.600 0.007 0.000 0.951 176 K CA -0.467 55.824 56.287 0.006 0.000 0.826 176 K CB 2.176 34.680 32.500 0.007 0.000 1.108 176 K HN -0.133 nan 8.250 nan 0.000 0.433 177 V N 2.751 122.671 119.914 0.010 0.000 2.760 177 V HA 0.201 4.321 4.120 -0.000 0.000 0.309 177 V C -1.377 174.729 176.094 0.020 0.000 1.077 177 V CA -0.819 61.488 62.300 0.012 0.000 0.910 177 V CB 2.193 34.020 31.823 0.007 0.000 1.008 177 V HN 0.838 nan 8.190 nan 0.000 0.424 178 D N 3.090 123.505 120.400 0.025 0.000 2.492 178 D HA 0.480 5.120 4.640 -0.000 0.000 0.248 178 D C 0.462 176.784 176.300 0.037 0.000 1.101 178 D CA -0.478 53.543 54.000 0.035 0.000 0.840 178 D CB 1.540 42.365 40.800 0.042 0.000 1.209 178 D HN 0.540 nan 8.370 nan 0.000 0.524 179 I N 1.165 121.757 120.570 0.037 0.000 3.941 179 I HA 0.306 4.476 4.170 -0.000 0.000 0.335 179 I C 0.242 176.369 176.117 0.016 0.000 1.402 179 I CA -0.550 60.773 61.300 0.037 0.000 1.112 179 I CB 0.150 38.181 38.000 0.052 0.000 1.043 179 I HN 0.208 nan 8.210 nan 0.000 0.395 180 S N 0.342 116.052 115.700 0.016 0.000 2.603 180 S HA 0.643 5.113 4.470 -0.000 0.000 0.268 180 S C 0.170 174.744 174.600 -0.043 0.000 1.317 180 S CA -0.065 58.110 58.200 -0.041 0.000 1.012 180 S CB 1.718 64.956 63.200 0.062 0.000 0.926 180 S HN 0.419 nan 8.310 nan 0.000 0.539 181 T N -0.033 114.422 114.554 -0.165 0.000 2.718 181 T HA 0.340 4.690 4.350 -0.000 0.000 0.306 181 T C -2.503 172.133 174.700 -0.106 0.000 1.485 181 T CA -0.698 61.365 62.100 -0.063 0.000 0.997 181 T CB 1.273 70.141 68.868 0.001 0.000 1.504 181 T HN 0.916 nan 8.240 nan 0.000 0.497 182 D N 1.808 122.220 120.400 0.019 0.000 2.163 182 D HA 0.514 5.154 4.640 -0.000 0.000 0.248 182 D C -0.789 175.581 176.300 0.117 0.000 1.035 182 D CA -0.561 53.478 54.000 0.065 0.000 0.872 182 D CB 1.451 42.311 40.800 0.100 0.000 1.183 182 D HN 0.512 nan 8.370 nan 0.000 0.445 183 M N 2.347 122.065 119.600 0.197 0.000 2.165 183 M HA 0.146 4.626 4.480 -0.000 0.000 0.283 183 M C -0.859 175.654 176.300 0.355 0.000 0.978 183 M CA -0.831 54.681 55.300 0.353 0.000 0.948 183 M CB 1.883 34.831 32.600 0.580 0.000 1.599 183 M HN 0.228 nan 8.290 nan 0.000 0.450 184 L N 3.139 124.516 121.223 0.257 0.000 3.548 184 L HA -0.216 4.124 4.340 -0.000 0.000 0.443 184 L C 1.059 178.010 176.870 0.136 0.000 1.286 184 L CA 1.844 56.770 54.840 0.142 0.000 0.863 184 L CB -2.416 39.668 42.059 0.042 0.000 1.734 184 L HN 1.193 nan 8.230 nan 0.000 0.873 185 G N -1.516 107.355 108.800 0.118 0.000 2.267 185 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.257 185 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.257 185 G C 0.437 175.407 174.900 0.116 0.000 0.998 185 G CA 1.095 46.254 45.100 0.098 0.000 0.620 185 G HN 1.540 nan 8.290 nan 0.000 0.529 186 S N -0.525 115.267 115.700 0.153 0.000 2.549 186 S HA 0.609 5.079 4.470 -0.000 0.000 0.297 186 S C -0.162 174.529 174.600 0.151 0.000 1.115 186 S CA 0.096 58.383 58.200 0.146 0.000 1.059 186 S CB 1.726 65.010 63.200 0.141 0.000 1.046 186 S HN 0.920 nan 8.310 nan 0.000 0.506 187 H N 1.938 121.040 119.070 0.054 0.000 2.652 187 H HA 0.597 5.153 4.556 -0.000 0.000 0.349 187 H C -0.797 174.543 175.328 0.021 0.000 1.099 187 H CA 0.092 56.164 56.048 0.040 0.000 1.417 187 H CB 0.734 30.510 29.762 0.022 0.000 1.457 187 H HN 0.500 nan 8.280 nan 0.000 0.568 188 V N 5.044 124.580 119.914 -0.630 0.000 2.789 188 V HA 0.076 4.196 4.120 -0.000 0.000 0.311 188 V C 0.260 176.085 176.094 -0.449 0.000 1.073 188 V CA -0.766 61.306 62.300 -0.379 0.000 0.921 188 V CB 2.127 33.842 31.823 -0.181 0.000 1.009 188 V HN 0.899 nan 8.190 nan 0.000 0.426 189 D N 1.277 121.531 120.400 -0.244 0.000 2.144 189 D HA -0.035 4.605 4.640 -0.000 0.000 0.200 189 D C 0.648 176.851 176.300 -0.162 0.000 0.978 189 D CA 1.531 55.439 54.000 -0.152 0.000 0.833 189 D CB 0.315 41.053 40.800 -0.103 0.000 0.961 189 D HN 0.511 nan 8.370 nan 0.000 0.470 190 V N -2.469 117.293 119.914 -0.253 0.000 3.046 190 V HA 0.510 4.630 4.120 -0.000 0.000 0.316 190 V C -2.461 173.514 176.094 -0.198 0.000 1.104 190 V CA -1.743 60.387 62.300 -0.283 0.000 1.006 190 V CB 2.251 33.656 31.823 -0.697 0.000 1.058 190 V HN -0.240 nan 8.190 nan 0.000 0.440 191 P HA 0.272 nan 4.420 nan 0.000 0.254 191 P C -0.507 176.951 177.300 0.265 0.000 1.494 191 P CA 0.122 63.292 63.100 0.117 0.000 0.961 191 P CB -0.513 31.275 31.700 0.146 0.000 1.493 192 F N -0.138 119.914 119.950 0.170 0.000 2.654 192 F HA 0.804 5.331 4.527 -0.000 0.000 0.334 192 F C -0.934 175.008 175.800 0.237 0.000 1.078 192 F CA -1.898 56.203 58.000 0.168 0.000 0.986 192 F CB 0.869 39.911 39.000 0.070 0.000 1.362 192 F HN -0.133 nan 8.300 nan 0.000 0.498 193 Y N -1.649 118.900 120.300 0.415 0.000 2.638 193 Y HA 0.712 5.262 4.550 -0.000 0.000 0.335 193 Y C -1.977 174.046 175.900 0.206 0.000 1.155 193 Y CA -2.058 56.133 58.100 0.152 0.000 1.046 193 Y CB 0.782 39.291 38.460 0.081 0.000 1.303 193 Y HN 0.545 nan 8.280 nan 0.000 0.460 194 V N 2.374 122.347 119.914 0.098 0.000 2.432 194 V HA 0.335 4.455 4.120 -0.000 0.000 0.271 194 V C 0.370 176.547 176.094 0.138 0.000 1.046 194 V CA -0.198 62.073 62.300 -0.048 0.000 0.945 194 V CB 0.762 32.330 31.823 -0.425 0.000 0.992 194 V HN 0.824 nan 8.190 nan 0.000 0.471 195 S N 3.491 119.250 115.700 0.098 0.000 2.632 195 S HA 0.689 5.159 4.470 -0.000 0.000 0.271 195 S C 0.440 175.008 174.600 -0.055 0.000 1.260 195 S CA -0.176 58.061 58.200 0.061 0.000 1.010 195 S CB 1.115 64.315 63.200 -0.000 0.000 0.965 195 S HN 1.093 nan 8.310 nan 0.000 0.534 196 A N 2.039 124.784 122.820 -0.126 0.000 2.462 196 A HA 0.505 4.825 4.320 -0.000 0.000 0.243 196 A C 0.320 177.824 177.584 -0.134 0.000 1.076 196 A CA 0.096 52.041 52.037 -0.152 0.000 0.773 196 A CB 0.097 18.965 19.000 -0.221 0.000 1.010 196 A HN 0.747 nan 8.150 nan 0.000 0.493 197 T N 1.787 116.287 114.554 -0.090 0.000 3.583 197 T HA 0.423 4.773 4.350 -0.000 0.000 0.274 197 T C 0.309 175.025 174.700 0.026 0.000 0.698 197 T CA 0.138 62.197 62.100 -0.069 0.000 1.262 197 T CB -0.739 68.050 68.868 -0.131 0.000 1.000 197 T HN 1.575 nan 8.240 nan 0.000 0.528 198 G N 2.178 111.049 108.800 0.119 0.000 2.707 198 G HA2 0.321 4.281 3.960 -0.000 0.000 0.231 198 G HA3 0.321 4.281 3.960 -0.000 0.000 0.231 198 G C 0.625 175.717 174.900 0.320 0.000 1.246 198 G CA -0.021 45.205 45.100 0.209 0.000 0.852 198 G HN 1.214 nan 8.290 nan 0.000 0.584 199 L N -0.410 120.927 121.223 0.190 0.000 3.601 199 L HA -0.221 4.119 4.340 -0.000 0.000 0.469 199 L C 1.788 178.821 176.870 0.271 0.000 1.294 199 L CA -0.166 54.769 54.840 0.158 0.000 0.829 199 L CB -2.217 39.833 42.059 -0.015 0.000 1.628 199 L HN 0.634 nan 8.230 nan 0.000 0.868 200 C N -0.658 118.756 119.300 0.191 0.000 2.422 200 C HA -0.133 4.327 4.460 -0.000 0.000 0.286 200 C C 2.494 177.588 174.990 0.172 0.000 1.412 200 C CA 1.123 60.244 59.018 0.172 0.000 1.786 200 C CB -0.606 27.167 27.740 0.054 0.000 1.835 200 C HN 0.565 nan 8.230 nan 0.000 0.533 201 K N 0.477 120.949 120.400 0.121 0.000 2.365 201 K HA 0.055 4.375 4.320 -0.000 0.000 0.199 201 K C 1.655 178.304 176.600 0.083 0.000 1.045 201 K CA 0.616 56.952 56.287 0.081 0.000 0.962 201 K CB -0.065 32.461 32.500 0.044 0.000 0.759 201 K HN 0.511 nan 8.250 nan 0.000 0.469 202 L N -1.079 120.209 121.223 0.108 0.000 2.056 202 L HA -0.109 4.231 4.340 -0.000 0.000 0.207 202 L C 2.309 179.251 176.870 0.121 0.000 1.078 202 L CA 1.533 56.406 54.840 0.055 0.000 0.749 202 L CB -0.373 41.649 42.059 -0.062 0.000 0.901 202 L HN 0.297 nan 8.230 nan 0.000 0.433 203 G N -1.331 107.632 108.800 0.272 0.000 2.490 203 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.211 203 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.211 203 G C 0.549 175.542 174.900 0.155 0.000 1.159 203 G CA -0.019 45.253 45.100 0.287 0.000 0.819 203 G HN 0.244 nan 8.290 nan 0.000 0.539 204 N N 0.736 119.512 118.700 0.126 0.000 2.898 204 N HA 0.324 5.064 4.740 -0.000 0.000 0.245 204 N C -1.509 174.035 175.510 0.056 0.000 1.185 204 N CA -2.270 50.822 53.050 0.071 0.000 0.879 204 N CB 2.095 40.613 38.487 0.052 0.000 1.157 204 N HN -0.072 nan 8.380 nan 0.000 0.503 205 P HA -0.151 nan 4.420 nan 0.000 0.215 205 P C 1.334 178.649 177.300 0.024 0.000 1.157 205 P CA 1.195 64.315 63.100 0.033 0.000 0.868 205 P CB 0.377 32.091 31.700 0.023 0.000 0.788 206 L N -1.063 120.173 121.223 0.021 0.000 2.093 206 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 206 L C 2.323 179.203 176.870 0.017 0.000 1.085 206 L CA 1.489 56.338 54.840 0.016 0.000 0.755 206 L CB -0.900 41.167 42.059 0.014 0.000 0.904 206 L HN -0.037 nan 8.230 nan 0.000 0.435 207 E N -0.470 119.742 120.200 0.019 0.000 2.391 207 E HA 0.195 4.545 4.350 -0.000 0.000 0.206 207 E C 1.366 177.976 176.600 0.017 0.000 0.851 207 E CA 0.774 57.184 56.400 0.016 0.000 1.059 207 E CB 0.205 29.913 29.700 0.013 0.000 1.065 207 E HN 0.311 nan 8.360 nan 0.000 0.512 208 G N 3.335 112.151 108.800 0.026 0.000 2.574 208 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.286 208 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.286 208 G C 0.626 175.534 174.900 0.013 0.000 1.212 208 G CA 0.620 45.739 45.100 0.030 0.000 0.979 208 G HN 0.298 nan 8.290 nan 0.000 0.557 209 E N 1.125 121.331 120.200 0.010 0.000 2.511 209 E HA 0.055 4.405 4.350 -0.000 0.000 0.196 209 E C 1.912 178.501 176.600 -0.019 0.000 1.066 209 E CA 0.929 57.322 56.400 -0.011 0.000 0.871 209 E CB 0.013 29.708 29.700 -0.007 0.000 0.863 209 E HN 0.669 nan 8.360 nan 0.000 0.520 210 K N 0.890 121.285 120.400 -0.008 0.000 2.057 210 K HA -0.102 4.218 4.320 -0.000 0.000 0.206 210 K C 1.315 177.902 176.600 -0.022 0.000 1.050 210 K CA 1.241 57.521 56.287 -0.013 0.000 0.935 210 K CB 0.049 32.547 32.500 -0.003 0.000 0.715 210 K HN 0.014 nan 8.250 nan 0.000 0.439 211 D N 0.483 120.873 120.400 -0.018 0.000 2.219 211 D HA -0.093 4.547 4.640 -0.000 0.000 0.205 211 D C 1.779 178.052 176.300 -0.045 0.000 0.970 211 D CA 0.507 54.495 54.000 -0.021 0.000 0.851 211 D CB 0.122 40.919 40.800 -0.005 0.000 0.943 211 D HN -0.093 nan 8.370 nan 0.000 0.488 212 V N 0.973 120.850 119.914 -0.063 0.000 2.307 212 V HA -0.212 3.908 4.120 -0.000 0.000 0.245 212 V C 2.546 178.567 176.094 -0.123 0.000 1.045 212 V CA 1.684 63.918 62.300 -0.110 0.000 1.024 212 V CB -0.832 30.914 31.823 -0.128 0.000 0.651 212 V HN 0.175 nan 8.190 nan 0.000 0.449 213 A N 0.133 122.896 122.820 -0.095 0.000 1.883 213 A HA -0.269 4.051 4.320 -0.000 0.000 0.217 213 A C 2.379 179.914 177.584 -0.082 0.000 1.186 213 A CA 2.175 54.156 52.037 -0.093 0.000 0.624 213 A CB -0.524 18.437 19.000 -0.065 0.000 0.822 213 A HN 0.517 nan 8.150 nan 0.000 0.444 214 R N -1.108 119.356 120.500 -0.059 0.000 2.070 214 R HA -0.104 4.236 4.340 -0.000 0.000 0.232 214 R C 2.470 178.741 176.300 -0.049 0.000 1.138 214 R CA 1.345 57.419 56.100 -0.044 0.000 0.936 214 R CB -0.875 29.410 30.300 -0.026 0.000 0.839 214 R HN 0.528 nan 8.270 nan 0.000 0.429 215 G N 0.254 109.021 108.800 -0.054 0.000 2.475 215 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.220 215 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.220 215 G C 1.320 176.175 174.900 -0.076 0.000 1.125 215 G CA 1.000 46.069 45.100 -0.052 0.000 0.755 215 G HN 0.384 nan 8.290 nan 0.000 0.565 216 C N 0.101 119.329 119.300 -0.121 0.000 2.472 216 C HA 0.360 4.820 4.460 -0.000 0.000 0.278 216 C C 2.427 177.345 174.990 -0.119 0.000 1.447 216 C CA 0.705 59.631 59.018 -0.153 0.000 1.773 216 C CB -0.590 27.024 27.740 -0.209 0.000 1.793 216 C HN 0.552 nan 8.230 nan 0.000 0.544 217 G N -0.594 108.154 108.800 -0.085 0.000 3.738 217 G HA2 0.083 4.042 3.960 -0.000 0.000 0.241 217 G HA3 0.083 4.042 3.960 -0.000 0.000 0.241 217 G C 1.045 175.919 174.900 -0.044 0.000 1.068 217 G CA 0.249 45.308 45.100 -0.069 0.000 0.899 217 G HN 0.622 nan 8.290 nan 0.000 0.519 218 Q N 0.130 119.909 119.800 -0.034 0.000 2.444 218 Q HA 0.395 4.735 4.340 -0.000 0.000 0.206 218 Q C 0.942 176.936 176.000 -0.011 0.000 0.948 218 Q CA 0.699 56.490 55.803 -0.019 0.000 0.946 218 Q CB 0.541 29.271 28.738 -0.013 0.000 1.027 218 Q HN 0.263 nan 8.270 nan 0.000 0.513 219 G N -0.545 108.248 108.800 -0.011 0.000 2.949 219 G HA2 0.365 4.325 3.960 -0.000 0.000 0.285 219 G HA3 0.365 4.325 3.960 -0.000 0.000 0.285 219 G C 0.473 175.370 174.900 -0.005 0.000 1.395 219 G CA -0.346 44.753 45.100 -0.002 0.000 0.901 219 G HN -0.046 nan 8.290 nan 0.000 0.519 220 V N -0.160 119.755 119.914 0.003 0.000 2.278 220 V HA -0.122 3.998 4.120 -0.000 0.000 0.251 220 V C 1.646 177.738 176.094 -0.004 0.000 1.062 220 V CA 2.119 64.421 62.300 0.003 0.000 1.038 220 V CB -1.049 30.781 31.823 0.011 0.000 0.646 220 V HN 0.577 nan 8.190 nan 0.000 0.447 221 T N 1.141 115.694 114.554 -0.003 0.000 2.771 221 T HA 0.416 4.766 4.350 -0.000 0.000 0.291 221 T C -0.157 174.512 174.700 -0.053 0.000 0.954 221 T CA -0.272 61.815 62.100 -0.021 0.000 1.045 221 T CB 0.973 69.843 68.868 0.002 0.000 0.917 221 T HN 0.303 nan 8.240 nan 0.000 0.484 222 K N 2.644 122.994 120.400 -0.085 0.000 2.339 222 K HA 0.600 4.920 4.320 -0.000 0.000 0.264 222 K C -1.023 175.465 176.600 -0.187 0.000 0.986 222 K CA -0.538 55.679 56.287 -0.117 0.000 0.866 222 K CB 1.481 33.925 32.500 -0.092 0.000 1.103 222 K HN 0.301 nan 8.250 nan 0.000 0.441 223 V N 5.169 124.950 119.914 -0.222 0.000 2.495 223 V HA 0.361 4.480 4.120 -0.000 0.000 0.298 223 V C -2.266 173.632 176.094 -0.328 0.000 1.031 223 V CA -2.473 59.645 62.300 -0.304 0.000 0.871 223 V CB 1.534 33.182 31.823 -0.292 0.000 0.988 223 V HN 0.646 nan 8.190 nan 0.000 0.432 224 P HA 0.118 nan 4.420 nan 0.000 0.266 224 P C -0.882 176.126 177.300 -0.487 0.000 1.195 224 P CA 0.047 62.769 63.100 -0.629 0.000 0.768 224 P CB 0.419 31.460 31.700 -1.099 0.000 0.838 225 Q N 2.538 122.050 119.800 -0.481 0.000 2.331 225 Q HA 0.479 4.819 4.340 -0.000 0.000 0.267 225 Q C -1.075 174.790 176.000 -0.224 0.000 1.006 225 Q CA -0.729 54.897 55.803 -0.296 0.000 0.818 225 Q CB 1.061 29.660 28.738 -0.233 0.000 1.276 225 Q HN 0.391 nan 8.270 nan 0.000 0.450 226 M N 4.999 124.526 119.600 -0.120 0.000 2.120 226 M HA 0.362 4.842 4.480 -0.000 0.000 0.354 226 M C -1.048 175.191 176.300 -0.101 0.000 1.287 226 M CA -0.354 54.891 55.300 -0.091 0.000 1.103 226 M CB 0.533 33.011 32.600 -0.203 0.000 1.623 226 M HN 0.589 nan 8.290 nan 0.000 0.471 227 I N 3.017 123.552 120.570 -0.059 0.000 2.371 227 I HA 0.172 4.342 4.170 -0.000 0.000 0.290 227 I C 0.415 176.395 176.117 -0.228 0.000 1.028 227 I CA -0.198 61.072 61.300 -0.051 0.000 1.345 227 I CB 1.466 39.553 38.000 0.145 0.000 1.407 227 I HN 0.554 nan 8.210 nan 0.000 0.501 228 S N 3.361 118.971 115.700 -0.150 0.000 2.545 228 S HA 0.114 4.584 4.470 -0.000 0.000 0.275 228 S C 1.355 175.879 174.600 -0.125 0.000 1.299 228 S CA -0.458 57.636 58.200 -0.176 0.000 1.048 228 S CB 0.963 64.122 63.200 -0.068 0.000 0.938 228 S HN 0.746 nan 8.310 nan 0.000 0.496 229 T N 4.252 118.703 114.554 -0.172 0.000 2.737 229 T HA -0.145 4.205 4.350 -0.000 0.000 0.269 229 T C 1.438 176.217 174.700 0.132 0.000 1.040 229 T CA 1.655 63.800 62.100 0.076 0.000 1.142 229 T CB -0.248 68.730 68.868 0.182 0.000 0.861 229 T HN 0.717 nan 8.240 nan 0.000 0.456 230 A N 0.677 123.543 122.820 0.076 0.000 2.359 230 A HA 0.667 4.987 4.320 -0.000 0.000 0.240 230 A C 0.968 178.582 177.584 0.051 0.000 1.306 230 A CA -0.105 51.955 52.037 0.039 0.000 0.898 230 A CB -0.497 18.541 19.000 0.063 0.000 0.956 230 A HN 0.474 nan 8.150 nan 0.000 0.497 231 A N -0.356 122.503 122.820 0.064 0.000 2.425 231 A HA 0.470 4.790 4.320 -0.000 0.000 0.249 231 A C 1.404 179.025 177.584 0.061 0.000 1.084 231 A CA 0.278 52.353 52.037 0.063 0.000 0.781 231 A CB 0.211 19.250 19.000 0.065 0.000 1.019 231 A HN 0.374 nan 8.150 nan 0.000 0.490 232 S N 0.569 116.300 115.700 0.052 0.000 2.368 232 S HA -0.122 4.348 4.470 -0.000 0.000 0.225 232 S C 0.883 175.509 174.600 0.044 0.000 1.030 232 S CA 1.082 59.307 58.200 0.041 0.000 0.999 232 S CB -0.453 62.770 63.200 0.039 0.000 0.844 232 S HN 0.815 nan 8.310 nan 0.000 0.459 233 C N 2.714 122.041 119.300 0.046 0.000 2.422 233 C HA 0.597 5.057 4.460 -0.000 0.000 0.364 233 C C 1.211 176.237 174.990 0.060 0.000 1.251 233 C CA -1.362 57.682 59.018 0.044 0.000 2.441 233 C CB 0.572 28.332 27.740 0.034 0.000 2.393 233 C HN 0.579 nan 8.230 nan 0.000 0.606 234 S N 2.028 117.761 115.700 0.054 0.000 2.617 234 S HA 0.253 4.723 4.470 -0.000 0.000 0.269 234 S C -1.638 173.001 174.600 0.064 0.000 1.292 234 S CA -0.690 57.548 58.200 0.064 0.000 1.010 234 S CB 0.547 63.773 63.200 0.044 0.000 0.944 234 S HN 0.654 nan 8.310 nan 0.000 0.536 235 P HA -0.198 nan 4.420 nan 0.000 0.216 235 P C 1.335 178.648 177.300 0.023 0.000 1.150 235 P CA 1.419 64.561 63.100 0.070 0.000 0.843 235 P CB -0.069 31.637 31.700 0.009 0.000 0.787 236 E N 0.708 120.911 120.200 0.006 0.000 2.072 236 E HA -0.194 4.156 4.350 -0.000 0.000 0.190 236 E C 2.041 178.643 176.600 0.003 0.000 0.982 236 E CA 0.907 57.305 56.400 -0.003 0.000 0.803 236 E CB -0.998 28.697 29.700 -0.008 0.000 0.755 236 E HN 0.341 nan 8.360 nan 0.000 0.453 237 E N 0.657 120.864 120.200 0.011 0.000 2.160 237 E HA -0.157 4.193 4.350 -0.000 0.000 0.195 237 E C 2.134 178.738 176.600 0.007 0.000 0.991 237 E CA 0.996 57.402 56.400 0.010 0.000 0.810 237 E CB -0.023 29.687 29.700 0.017 0.000 0.742 237 E HN 0.293 nan 8.360 nan 0.000 0.466 238 I N 0.135 120.712 120.570 0.012 0.000 2.296 238 I HA -0.194 3.975 4.170 -0.000 0.000 0.242 238 I C 2.181 178.293 176.117 -0.007 0.000 1.087 238 I CA 0.595 61.897 61.300 0.004 0.000 1.393 238 I CB -0.069 37.941 38.000 0.016 0.000 1.093 238 I HN 0.086 nan 8.210 nan 0.000 0.421 239 I N 1.129 121.698 120.570 -0.003 0.000 2.530 239 I HA -0.288 3.882 4.170 -0.000 0.000 0.257 239 I C 2.416 178.522 176.117 -0.018 0.000 1.179 239 I CA 1.622 62.915 61.300 -0.012 0.000 1.440 239 I CB -0.305 37.691 38.000 -0.007 0.000 1.087 239 I HN 0.435 nan 8.210 nan 0.000 0.440 240 E N 0.864 121.056 120.200 -0.014 0.000 2.389 240 E HA 0.049 4.399 4.350 -0.000 0.000 0.199 240 E C 2.021 178.612 176.600 -0.016 0.000 0.978 240 E CA 0.693 57.084 56.400 -0.014 0.000 0.912 240 E CB -0.051 29.643 29.700 -0.010 0.000 0.907 240 E HN 0.326 nan 8.360 nan 0.000 0.494 241 A N 1.741 124.552 122.820 -0.016 0.000 2.119 241 A HA 0.262 4.582 4.320 -0.000 0.000 0.217 241 A C 1.563 179.132 177.584 -0.025 0.000 1.153 241 A CA 0.605 52.632 52.037 -0.017 0.000 0.692 241 A CB -0.438 18.554 19.000 -0.014 0.000 0.799 241 A HN 0.357 nan 8.150 nan 0.000 0.458 242 A N 0.856 123.657 122.820 -0.033 0.000 2.537 242 A HA 0.416 4.736 4.320 -0.000 0.000 0.260 242 A C -1.114 176.449 177.584 -0.035 0.000 1.082 242 A CA -0.676 51.335 52.037 -0.043 0.000 0.765 242 A CB -0.080 18.888 19.000 -0.053 0.000 1.019 242 A HN 0.253 nan 8.150 nan 0.000 0.507 243 P HA 0.023 nan 4.420 nan 0.000 0.237 243 P C 0.293 177.577 177.300 -0.027 0.000 1.178 243 P CA 0.938 64.022 63.100 -0.026 0.000 0.766 243 P CB 0.368 32.054 31.700 -0.023 0.000 0.876 244 S N -0.672 115.007 115.700 -0.035 0.000 2.536 244 S HA 0.319 4.789 4.470 -0.000 0.000 0.287 244 S C 0.113 174.690 174.600 -0.037 0.000 1.101 244 S CA -0.660 57.520 58.200 -0.034 0.000 0.950 244 S CB 1.075 64.252 63.200 -0.038 0.000 1.056 244 S HN -0.268 nan 8.310 nan 0.000 0.481 245 D N 2.351 122.734 120.400 -0.029 0.000 2.350 245 D HA 0.126 4.766 4.640 -0.000 0.000 0.213 245 D C 1.360 177.643 176.300 -0.028 0.000 1.031 245 D CA 0.274 54.258 54.000 -0.027 0.000 0.861 245 D CB 0.276 41.065 40.800 -0.019 0.000 0.926 245 D HN 0.521 nan 8.370 nan 0.000 0.520 246 K N 0.807 121.190 120.400 -0.029 0.000 2.155 246 K HA -0.049 4.271 4.320 -0.000 0.000 0.203 246 K C 0.980 177.551 176.600 -0.049 0.000 1.052 246 K CA 0.186 56.457 56.287 -0.027 0.000 0.948 246 K CB 0.217 32.706 32.500 -0.018 0.000 0.728 246 K HN 0.309 nan 8.250 nan 0.000 0.448 247 Q N 1.679 121.437 119.800 -0.070 0.000 2.361 247 Q HA 0.071 4.411 4.340 -0.000 0.000 0.276 247 Q C -0.185 175.732 176.000 -0.138 0.000 1.022 247 Q CA -0.029 55.705 55.803 -0.114 0.000 0.898 247 Q CB 0.617 29.283 28.738 -0.121 0.000 1.246 247 Q HN 0.286 nan 8.270 nan 0.000 0.410 248 I N 0.809 121.250 120.570 -0.216 0.000 2.460 248 I HA 0.367 4.537 4.170 -0.000 0.000 0.298 248 I C -1.304 174.568 176.117 -0.408 0.000 0.989 248 I CA -0.842 60.294 61.300 -0.275 0.000 1.173 248 I CB 1.895 39.719 38.000 -0.293 0.000 1.338 248 I HN 0.793 nan 8.210 nan 0.000 0.456 249 Q N 6.018 125.626 119.800 -0.320 0.000 2.347 249 Q HA 0.466 4.806 4.340 -0.000 0.000 0.271 249 Q C -1.823 174.125 176.000 -0.087 0.000 1.064 249 Q CA -0.574 55.073 55.803 -0.261 0.000 0.800 249 Q CB 2.404 31.085 28.738 -0.095 0.000 1.304 249 Q HN 0.561 nan 8.270 nan 0.000 0.438 250 W N 1.199 122.498 121.300 -0.002 0.000 2.655 250 W HA 0.435 5.095 4.660 -0.000 0.000 0.358 250 W C -0.820 175.768 176.519 0.116 0.000 1.100 250 W CA -1.074 56.312 57.345 0.068 0.000 1.195 250 W CB 0.836 30.323 29.460 0.045 0.000 1.403 250 W HN 0.572 nan 8.180 nan 0.000 0.589 251 Y N 2.206 122.678 120.300 0.288 0.000 2.364 251 Y HA 0.302 4.852 4.550 -0.000 0.000 0.340 251 Y C -0.049 175.934 175.900 0.139 0.000 0.975 251 Y CA -0.878 57.311 58.100 0.148 0.000 1.089 251 Y CB 1.396 39.914 38.460 0.097 0.000 1.192 251 Y HN 0.366 nan 8.280 nan 0.000 0.454 252 Q N 5.314 124.734 119.800 -0.634 0.000 2.257 252 Q HA 0.531 4.871 4.340 -0.000 0.000 0.255 252 Q C -2.352 173.244 176.000 -0.674 0.000 0.920 252 Q CA -0.632 54.876 55.803 -0.492 0.000 0.927 252 Q CB 1.959 30.470 28.738 -0.377 0.000 1.229 252 Q HN 0.729 nan 8.270 nan 0.000 0.433 253 L N 4.205 125.245 121.223 -0.304 0.000 2.356 253 L HA 0.524 4.864 4.340 -0.000 0.000 0.277 253 L C -1.780 175.006 176.870 -0.140 0.000 0.996 253 L CA -0.607 54.182 54.840 -0.086 0.000 0.822 253 L CB 1.307 43.431 42.059 0.109 0.000 1.256 253 L HN 0.729 nan 8.230 nan 0.000 0.413 254 Y N 4.368 124.727 120.300 0.097 0.000 2.341 254 Y HA 0.413 4.963 4.550 -0.000 0.000 0.340 254 Y C 0.236 176.202 175.900 0.110 0.000 0.997 254 Y CA -0.540 57.623 58.100 0.105 0.000 1.149 254 Y CB 1.591 40.138 38.460 0.145 0.000 1.171 254 Y HN 0.425 nan 8.280 nan 0.000 0.494 255 V N 3.850 123.898 119.914 0.224 0.000 2.572 255 V HA 0.225 4.345 4.120 -0.000 0.000 0.291 255 V C 0.063 176.234 176.094 0.129 0.000 1.039 255 V CA -0.559 61.827 62.300 0.143 0.000 1.055 255 V CB 0.504 32.377 31.823 0.083 0.000 0.969 255 V HN 0.889 nan 8.190 nan 0.000 0.482 256 N N 3.987 122.741 118.700 0.091 0.000 2.467 256 N HA 0.227 4.967 4.740 -0.000 0.000 0.262 256 N C 1.280 176.803 175.510 0.022 0.000 1.234 256 N CA 0.392 53.468 53.050 0.043 0.000 0.952 256 N CB 1.331 39.816 38.487 -0.004 0.000 1.158 256 N HN 0.860 nan 8.380 nan 0.000 0.463 257 S N 0.062 115.764 115.700 0.005 0.000 2.383 257 S HA -0.144 4.326 4.470 -0.000 0.000 0.227 257 S C 0.362 174.959 174.600 -0.007 0.000 1.026 257 S CA 0.769 58.969 58.200 -0.000 0.000 0.981 257 S CB -0.115 63.082 63.200 -0.006 0.000 0.818 257 S HN 0.662 nan 8.310 nan 0.000 0.472 258 D N 1.650 122.039 120.400 -0.019 0.000 2.435 258 D HA 0.157 4.797 4.640 -0.000 0.000 0.230 258 D C 0.851 177.144 176.300 -0.011 0.000 1.215 258 D CA -0.269 53.718 54.000 -0.020 0.000 0.947 258 D CB 0.253 41.030 40.800 -0.037 0.000 1.048 258 D HN -0.078 nan 8.370 nan 0.000 0.512 259 R N 2.769 123.268 120.500 -0.002 0.000 2.293 259 R HA -0.076 4.264 4.340 -0.000 0.000 0.219 259 R C 1.690 177.992 176.300 0.003 0.000 1.091 259 R CA 0.219 56.322 56.100 0.006 0.000 1.004 259 R CB -0.067 30.239 30.300 0.009 0.000 0.865 259 R HN 0.409 nan 8.270 nan 0.000 0.469 260 K N 1.179 121.576 120.400 -0.004 0.000 2.057 260 K HA -0.031 4.289 4.320 -0.000 0.000 0.207 260 K C 2.015 178.611 176.600 -0.007 0.000 1.049 260 K CA 1.019 57.303 56.287 -0.006 0.000 0.931 260 K CB -0.103 32.391 32.500 -0.011 0.000 0.714 260 K HN 0.166 nan 8.250 nan 0.000 0.440 261 I N 0.571 121.133 120.570 -0.013 0.000 2.286 261 I HA -0.241 3.929 4.170 -0.000 0.000 0.248 261 I C 2.050 178.171 176.117 0.007 0.000 1.115 261 I CA 1.279 62.570 61.300 -0.015 0.000 1.392 261 I CB -0.616 37.359 38.000 -0.041 0.000 1.065 261 I HN 0.103 nan 8.210 nan 0.000 0.418 262 T N -0.041 114.525 114.554 0.020 0.000 2.821 262 T HA -0.157 4.193 4.350 -0.000 0.000 0.267 262 T C 1.415 176.133 174.700 0.029 0.000 1.046 262 T CA 1.576 63.701 62.100 0.042 0.000 1.139 262 T CB -0.325 68.574 68.868 0.051 0.000 0.871 262 T HN 0.334 nan 8.240 nan 0.000 0.454 263 D N 0.848 121.257 120.400 0.015 0.000 2.144 263 D HA -0.080 4.559 4.640 -0.000 0.000 0.200 263 D C 1.937 178.236 176.300 -0.001 0.000 0.978 263 D CA 0.817 54.821 54.000 0.008 0.000 0.833 263 D CB -0.035 40.768 40.800 0.004 0.000 0.961 263 D HN 0.233 nan 8.370 nan 0.000 0.470 264 D N -0.001 120.396 120.400 -0.004 0.000 2.078 264 D HA -0.126 4.514 4.640 -0.000 0.000 0.193 264 D C 2.071 178.357 176.300 -0.022 0.000 0.990 264 D CA 0.493 54.486 54.000 -0.013 0.000 0.827 264 D CB -0.489 40.303 40.800 -0.013 0.000 0.975 264 D HN 0.098 nan 8.370 nan 0.000 0.451 265 L N 0.730 121.944 121.223 -0.015 0.000 2.043 265 L HA -0.183 4.157 4.340 -0.000 0.000 0.212 265 L C 2.405 179.230 176.870 -0.075 0.000 1.075 265 L CA 1.155 55.972 54.840 -0.038 0.000 0.752 265 L CB -0.327 41.746 42.059 0.024 0.000 0.891 265 L HN -0.096 nan 8.230 nan 0.000 0.432 266 V N -0.625 119.275 119.914 -0.024 0.000 2.237 266 V HA -0.346 3.774 4.120 -0.000 0.000 0.245 266 V C 2.492 178.561 176.094 -0.041 0.000 1.046 266 V CA 2.089 64.376 62.300 -0.021 0.000 1.007 266 V CB -0.572 31.258 31.823 0.011 0.000 0.638 266 V HN 0.437 nan 8.190 nan 0.000 0.445 267 K N 0.122 120.504 120.400 -0.029 0.000 2.074 267 K HA -0.258 4.062 4.320 -0.000 0.000 0.209 267 K C 2.114 178.687 176.600 -0.046 0.000 1.048 267 K CA 1.864 58.134 56.287 -0.029 0.000 0.926 267 K CB -0.426 32.062 32.500 -0.020 0.000 0.713 267 K HN 0.503 nan 8.250 nan 0.000 0.444 268 N N 1.021 119.683 118.700 -0.064 0.000 2.309 268 N HA -0.128 4.612 4.740 -0.000 0.000 0.182 268 N C 1.772 177.213 175.510 -0.115 0.000 1.018 268 N CA 1.392 54.395 53.050 -0.079 0.000 0.876 268 N CB 0.283 38.722 38.487 -0.079 0.000 0.972 268 N HN 0.120 nan 8.380 nan 0.000 0.434 269 V N -1.982 117.832 119.914 -0.166 0.000 2.725 269 V HA 0.047 4.167 4.120 -0.000 0.000 0.247 269 V C 2.084 178.125 176.094 -0.089 0.000 1.058 269 V CA 1.014 63.192 62.300 -0.203 0.000 1.080 269 V CB -0.662 30.902 31.823 -0.431 0.000 0.713 269 V HN 0.111 nan 8.190 nan 0.000 0.465 270 E N 0.986 121.152 120.200 -0.056 0.000 2.070 270 E HA -0.319 4.031 4.350 -0.000 0.000 0.197 270 E C 2.244 178.832 176.600 -0.019 0.000 1.004 270 E CA 2.145 58.532 56.400 -0.021 0.000 0.805 270 E CB -0.149 29.541 29.700 -0.016 0.000 0.744 270 E HN 0.675 nan 8.360 nan 0.000 0.451 271 K N 0.124 120.506 120.400 -0.031 0.000 2.009 271 K HA -0.138 4.182 4.320 -0.000 0.000 0.210 271 K C 2.061 178.647 176.600 -0.024 0.000 1.049 271 K CA 1.407 57.678 56.287 -0.025 0.000 0.929 271 K CB -0.137 32.344 32.500 -0.030 0.000 0.714 271 K HN 0.147 nan 8.250 nan 0.000 0.440 272 L N -0.900 120.302 121.223 -0.035 0.000 2.456 272 L HA -0.027 4.313 4.340 -0.000 0.000 0.224 272 L C 1.174 178.034 176.870 -0.016 0.000 1.148 272 L CA 0.801 55.623 54.840 -0.030 0.000 0.825 272 L CB 0.004 42.036 42.059 -0.046 0.000 0.937 272 L HN 0.689 nan 8.230 nan 0.000 0.450 273 G N -0.278 108.518 108.800 -0.007 0.000 2.168 273 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.197 273 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.197 273 G C 0.334 175.252 174.900 0.030 0.000 0.997 273 G CA -0.050 45.055 45.100 0.008 0.000 0.658 273 G HN 0.196 nan 8.290 nan 0.000 0.513 274 V N -0.775 119.167 119.914 0.046 0.000 2.617 274 V HA 0.582 4.702 4.120 -0.000 0.000 0.304 274 V C 1.336 177.517 176.094 0.145 0.000 1.040 274 V CA 1.155 63.521 62.300 0.111 0.000 1.149 274 V CB 1.353 33.273 31.823 0.163 0.000 0.914 274 V HN 0.238 nan 8.190 nan 0.000 0.487 275 K N 3.202 123.737 120.400 0.224 0.000 2.444 275 K HA 0.598 4.918 4.320 -0.000 0.000 0.193 275 K C 0.355 177.108 176.600 0.255 0.000 1.024 275 K CA 0.846 57.271 56.287 0.230 0.000 1.077 275 K CB 0.129 32.766 32.500 0.228 0.000 0.833 275 K HN 1.227 nan 8.250 nan 0.000 0.517 276 A N -0.498 122.500 122.820 0.296 0.000 2.586 276 A HA 0.496 4.816 4.320 -0.000 0.000 0.290 276 A C -1.955 175.665 177.584 0.061 0.000 1.086 276 A CA -0.777 51.280 52.037 0.033 0.000 0.665 276 A CB 0.909 19.708 19.000 -0.336 0.000 1.279 276 A HN 0.048 nan 8.150 nan 0.000 0.423 277 L N 1.096 122.250 121.223 -0.114 0.000 2.342 277 L HA 0.515 4.855 4.340 -0.000 0.000 0.276 277 L C -1.665 175.076 176.870 -0.215 0.000 0.997 277 L CA -0.268 54.557 54.840 -0.024 0.000 0.838 277 L CB 1.186 43.243 42.059 -0.003 0.000 1.224 277 L HN 0.705 nan 8.230 nan 0.000 0.416 278 F N 3.553 123.407 119.950 -0.160 0.000 2.371 278 F HA 0.283 4.810 4.527 -0.000 0.000 0.363 278 F C 0.367 176.060 175.800 -0.178 0.000 1.122 278 F CA -0.476 57.394 58.000 -0.217 0.000 1.129 278 F CB 1.480 40.315 39.000 -0.276 0.000 1.173 278 F HN 0.022 nan 8.300 nan 0.000 0.489 279 V N 3.516 123.404 119.914 -0.043 0.000 2.348 279 V HA 0.198 4.318 4.120 -0.000 0.000 0.270 279 V C 0.265 176.332 176.094 -0.044 0.000 1.037 279 V CA -0.594 61.678 62.300 -0.047 0.000 0.872 279 V CB 0.866 32.661 31.823 -0.047 0.000 1.002 279 V HN 0.683 nan 8.190 nan 0.000 0.464 280 T N 4.805 119.305 114.554 -0.089 0.000 2.761 280 T HA 0.256 4.606 4.350 -0.000 0.000 0.296 280 T C 0.878 175.627 174.700 0.083 0.000 0.934 280 T CA -0.081 61.996 62.100 -0.038 0.000 1.091 280 T CB 1.112 69.852 68.868 -0.213 0.000 0.896 280 T HN 0.721 nan 8.240 nan 0.000 0.515 281 V N 0.192 120.147 119.914 0.069 0.000 3.432 281 V HA 0.244 4.364 4.120 -0.000 0.000 0.298 281 V C 1.045 177.170 176.094 0.052 0.000 1.464 281 V CA -0.175 62.142 62.300 0.028 0.000 1.046 281 V CB 0.151 31.925 31.823 -0.081 0.000 0.887 281 V HN 0.756 nan 8.190 nan 0.000 0.441 282 D N 1.370 121.843 120.400 0.122 0.000 2.363 282 D HA 0.382 5.022 4.640 -0.000 0.000 0.214 282 D C 0.897 177.242 176.300 0.076 0.000 1.093 282 D CA 0.679 54.744 54.000 0.108 0.000 0.837 282 D CB 0.752 41.642 40.800 0.149 0.000 0.948 282 D HN 0.549 nan 8.370 nan 0.000 0.507 283 A N 1.343 124.217 122.820 0.091 0.000 2.959 283 A HA 0.360 4.680 4.320 -0.000 0.000 0.280 283 A C -1.520 176.043 177.584 -0.033 0.000 0.953 283 A CA -0.735 51.295 52.037 -0.012 0.000 1.047 283 A CB 0.589 19.559 19.000 -0.051 0.000 1.147 283 A HN -0.013 nan 8.150 nan 0.000 0.489 284 P HA -0.092 nan 4.420 nan 0.000 0.218 284 P C 0.697 177.969 177.300 -0.048 0.000 1.148 284 P CA 1.403 64.489 63.100 -0.024 0.000 0.822 284 P CB 0.324 32.016 31.700 -0.014 0.000 0.784 285 S N -0.953 114.714 115.700 -0.055 0.000 2.521 285 S HA 0.471 4.941 4.470 -0.000 0.000 0.295 285 S C -0.824 173.721 174.600 -0.092 0.000 1.098 285 S CA -0.785 57.377 58.200 -0.063 0.000 0.999 285 S CB 0.394 63.571 63.200 -0.038 0.000 1.034 285 S HN -0.237 nan 8.310 nan 0.000 0.483 286 L N 4.044 125.202 121.223 -0.108 0.000 2.367 286 L HA 0.424 4.764 4.340 -0.000 0.000 0.275 286 L C 1.379 178.187 176.870 -0.105 0.000 1.129 286 L CA 0.548 55.307 54.840 -0.136 0.000 0.839 286 L CB 0.196 42.175 42.059 -0.134 0.000 1.133 286 L HN 0.860 nan 8.230 nan 0.000 0.453 287 G N 2.648 111.372 108.800 -0.127 0.000 2.554 287 G HA2 0.145 4.105 3.960 -0.000 0.000 0.238 287 G HA3 0.145 4.105 3.960 -0.000 0.000 0.238 287 G C -0.163 174.696 174.900 -0.069 0.000 1.259 287 G CA -0.441 44.605 45.100 -0.090 0.000 0.843 287 G HN 0.696 nan 8.290 nan 0.000 0.582 288 Q N 0.954 120.729 119.800 -0.043 0.000 2.361 288 Q HA 0.251 4.591 4.340 -0.000 0.000 0.250 288 Q C -0.026 175.951 176.000 -0.037 0.000 1.023 288 Q CA -0.250 55.535 55.803 -0.030 0.000 0.915 288 Q CB 0.306 29.040 28.738 -0.006 0.000 1.238 288 Q HN 0.464 nan 8.270 nan 0.000 0.451 289 R N 3.951 124.422 120.500 -0.049 0.000 2.280 289 R HA 0.120 4.460 4.340 -0.000 0.000 0.326 289 R C 0.098 176.367 176.300 -0.051 0.000 1.080 289 R CA -0.206 55.856 56.100 -0.063 0.000 1.002 289 R CB 0.784 31.033 30.300 -0.085 0.000 1.136 289 R HN 0.761 nan 8.270 nan 0.000 0.509 290 E N 1.602 121.782 120.200 -0.033 0.000 2.274 290 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 290 E C 0.972 177.563 176.600 -0.015 0.000 0.996 290 E CA 0.968 57.363 56.400 -0.009 0.000 0.840 290 E CB 0.266 29.977 29.700 0.018 0.000 0.772 290 E HN 0.353 nan 8.360 nan 0.000 0.491 291 K N 0.777 121.158 120.400 -0.033 0.000 2.057 291 K HA -0.151 4.169 4.320 -0.000 0.000 0.207 291 K C 1.830 178.405 176.600 -0.042 0.000 1.049 291 K CA 1.241 57.510 56.287 -0.030 0.000 0.931 291 K CB 0.057 32.521 32.500 -0.060 0.000 0.714 291 K HN -0.011 nan 8.250 nan 0.000 0.440 292 D N 0.474 120.835 120.400 -0.064 0.000 2.117 292 D HA -0.108 4.532 4.640 -0.000 0.000 0.197 292 D C 1.827 178.047 176.300 -0.133 0.000 0.987 292 D CA 1.249 55.205 54.000 -0.073 0.000 0.829 292 D CB 0.107 40.878 40.800 -0.048 0.000 0.961 292 D HN 0.150 nan 8.370 nan 0.000 0.460 293 M N 0.057 119.565 119.600 -0.154 0.000 2.132 293 M HA -0.148 4.332 4.480 -0.000 0.000 0.263 293 M C 2.156 178.239 176.300 -0.362 0.000 1.065 293 M CA 1.203 56.317 55.300 -0.309 0.000 1.122 293 M CB -0.150 32.344 32.600 -0.177 0.000 1.365 293 M HN -0.120 nan 8.290 nan 0.000 0.411 294 K N 1.447 121.798 120.400 -0.081 0.000 2.147 294 K HA -0.182 4.138 4.320 -0.000 0.000 0.205 294 K C 1.805 178.415 176.600 0.017 0.000 1.049 294 K CA 1.326 57.651 56.287 0.062 0.000 0.936 294 K CB -0.396 32.156 32.500 0.085 0.000 0.722 294 K HN 0.366 nan 8.250 nan 0.000 0.446 295 L N 0.416 121.611 121.223 -0.047 0.000 2.072 295 L HA -0.014 4.326 4.340 -0.000 0.000 0.205 295 L C 2.070 178.891 176.870 -0.082 0.000 1.079 295 L CA 1.501 56.319 54.840 -0.036 0.000 0.752 295 L CB -0.398 41.647 42.059 -0.023 0.000 0.906 295 L HN 0.034 nan 8.230 nan 0.000 0.436 296 K N -0.444 119.832 120.400 -0.206 0.000 2.074 296 K HA -0.124 4.196 4.320 -0.000 0.000 0.209 296 K C 0.574 177.067 176.600 -0.179 0.000 1.048 296 K CA 1.331 57.461 56.287 -0.261 0.000 0.926 296 K CB -0.316 31.925 32.500 -0.432 0.000 0.713 296 K HN 0.187 nan 8.250 nan 0.000 0.444 322 L N 1.526 122.738 121.223 -0.019 0.000 2.305 322 L HA 0.567 4.907 4.340 -0.000 0.000 0.281 322 L C 0.293 177.156 176.870 -0.012 0.000 1.085 322 L CA -0.271 54.557 54.840 -0.019 0.000 0.813 322 L CB 1.616 43.669 42.059 -0.010 0.000 1.157 322 L HN 0.209 nan 8.230 nan 0.000 0.436 323 S N 1.440 117.131 115.700 -0.014 0.000 2.593 323 S HA 0.291 4.761 4.470 -0.000 0.000 0.297 323 S C 0.773 175.396 174.600 0.037 0.000 1.112 323 S CA -0.680 57.531 58.200 0.020 0.000 1.043 323 S CB 1.878 65.083 63.200 0.009 0.000 1.054 323 S HN 0.512 nan 8.310 nan 0.000 0.516 324 K N 1.785 122.219 120.400 0.058 0.000 2.155 324 K HA 0.047 4.367 4.320 -0.000 0.000 0.203 324 K C 1.571 178.180 176.600 0.015 0.000 1.052 324 K CA 1.082 57.379 56.287 0.015 0.000 0.948 324 K CB -0.354 32.133 32.500 -0.021 0.000 0.728 324 K HN 0.668 nan 8.250 nan 0.000 0.448 325 F N 1.037 120.962 119.950 -0.042 0.000 2.115 325 F HA -0.168 4.359 4.527 -0.000 0.000 0.300 325 F C 1.015 176.786 175.800 -0.049 0.000 1.092 325 F CA 1.129 59.106 58.000 -0.038 0.000 1.245 325 F CB 0.103 39.057 39.000 -0.077 0.000 0.995 325 F HN -0.098 nan 8.300 nan 0.000 0.481 326 I N -0.088 120.536 120.570 0.090 0.000 2.410 326 I HA 0.146 4.316 4.170 -0.000 0.000 0.286 326 I C -0.881 175.243 176.117 0.013 0.000 1.009 326 I CA -0.922 60.379 61.300 0.002 0.000 1.111 326 I CB 1.285 39.156 38.000 -0.216 0.000 1.262 326 I HN -0.240 nan 8.210 nan 0.000 0.443 327 D N 9.331 129.753 120.400 0.038 0.000 2.336 327 D HA 0.182 4.822 4.640 -0.000 0.000 0.249 327 D C -1.454 174.852 176.300 0.011 0.000 1.213 327 D CA -2.161 51.852 54.000 0.021 0.000 0.870 327 D CB 1.399 42.214 40.800 0.025 0.000 1.076 327 D HN 0.274 nan 8.370 nan 0.000 0.483 328 P HA -0.057 nan 4.420 nan 0.000 0.242 328 P C 0.624 177.919 177.300 -0.008 0.000 1.197 328 P CA 0.405 63.501 63.100 -0.007 0.000 0.765 328 P CB 0.156 31.851 31.700 -0.009 0.000 0.936 329 S N -1.645 114.053 115.700 -0.005 0.000 2.540 329 S HA 0.109 4.579 4.470 -0.000 0.000 0.218 329 S C 0.808 175.400 174.600 -0.014 0.000 0.977 329 S CA -0.459 57.738 58.200 -0.005 0.000 0.918 329 S CB -0.798 62.403 63.200 0.002 0.000 0.806 329 S HN 0.027 nan 8.310 nan 0.000 0.496 330 L N 3.010 124.220 121.223 -0.022 0.000 2.667 330 L HA 0.061 4.401 4.340 -0.000 0.000 0.278 330 L C 0.105 176.921 176.870 -0.089 0.000 1.217 330 L CA 0.588 55.402 54.840 -0.044 0.000 0.935 330 L CB 0.263 42.293 42.059 -0.048 0.000 1.193 330 L HN 0.337 nan 8.230 nan 0.000 0.493 331 T N 2.097 116.606 114.554 -0.076 0.000 2.926 331 T HA 0.154 4.504 4.350 -0.000 0.000 0.289 331 T C 0.595 175.235 174.700 -0.100 0.000 1.054 331 T CA -0.442 61.609 62.100 -0.082 0.000 1.015 331 T CB 1.123 70.007 68.868 0.028 0.000 1.167 331 T HN 0.564 nan 8.240 nan 0.000 0.526 332 W N 0.956 122.267 121.300 0.018 0.000 2.317 332 W HA -0.127 4.533 4.660 -0.000 0.000 0.318 332 W C 2.402 178.927 176.519 0.010 0.000 1.227 332 W CA 0.828 58.181 57.345 0.013 0.000 1.269 332 W CB -0.148 29.318 29.460 0.011 0.000 1.155 332 W HN 0.563 nan 8.180 nan 0.000 0.484 333 K N 0.052 120.596 120.400 0.240 0.000 2.127 333 K HA -0.217 4.103 4.320 -0.000 0.000 0.208 333 K C 1.276 177.931 176.600 0.091 0.000 1.047 333 K CA 1.850 58.219 56.287 0.137 0.000 0.927 333 K CB -0.765 31.794 32.500 0.099 0.000 0.716 333 K HN 0.377 nan 8.250 nan 0.000 0.450 334 D N 0.644 121.083 120.400 0.066 0.000 2.219 334 D HA -0.095 4.545 4.640 -0.000 0.000 0.205 334 D C 1.880 178.203 176.300 0.037 0.000 0.970 334 D CA 0.724 54.746 54.000 0.036 0.000 0.851 334 D CB 0.121 40.928 40.800 0.012 0.000 0.943 334 D HN 0.123 nan 8.370 nan 0.000 0.488 335 I N 1.605 122.207 120.570 0.054 0.000 2.333 335 I HA -0.130 4.040 4.170 -0.000 0.000 0.246 335 I C 2.307 178.469 176.117 0.076 0.000 1.106 335 I CA 0.808 62.143 61.300 0.059 0.000 1.411 335 I CB -0.968 37.080 38.000 0.080 0.000 1.082 335 I HN -0.002 nan 8.210 nan 0.000 0.420 336 E N 0.693 120.956 120.200 0.104 0.000 2.097 336 E HA -0.294 4.056 4.350 -0.000 0.000 0.196 336 E C 1.988 178.617 176.600 0.048 0.000 1.000 336 E CA 1.513 57.959 56.400 0.076 0.000 0.804 336 E CB -0.064 29.684 29.700 0.081 0.000 0.740 336 E HN 0.385 nan 8.360 nan 0.000 0.454 337 E N 0.971 121.198 120.200 0.045 0.000 2.038 337 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 337 E C 1.935 178.550 176.600 0.024 0.000 1.000 337 E CA 0.627 57.045 56.400 0.031 0.000 0.803 337 E CB -0.272 29.446 29.700 0.029 0.000 0.750 337 E HN 0.097 nan 8.360 nan 0.000 0.448 338 L N 0.909 122.146 121.223 0.024 0.000 2.191 338 L HA -0.125 4.215 4.340 -0.000 0.000 0.212 338 L C 1.947 178.824 176.870 0.011 0.000 1.103 338 L CA 1.685 56.535 54.840 0.016 0.000 0.769 338 L CB -0.229 41.839 42.059 0.014 0.000 0.908 338 L HN 0.025 nan 8.230 nan 0.000 0.438 339 K N -0.496 119.913 120.400 0.015 0.000 2.057 339 K HA -0.210 4.110 4.320 -0.000 0.000 0.207 339 K C 2.036 178.640 176.600 0.006 0.000 1.049 339 K CA 1.698 57.990 56.287 0.008 0.000 0.931 339 K CB 0.041 32.550 32.500 0.015 0.000 0.714 339 K HN 0.370 nan 8.250 nan 0.000 0.440 340 K N 0.230 120.636 120.400 0.010 0.000 2.116 340 K HA -0.076 4.244 4.320 -0.000 0.000 0.203 340 K C 1.665 178.268 176.600 0.006 0.000 1.052 340 K CA 1.027 57.319 56.287 0.008 0.000 0.952 340 K CB 0.110 32.616 32.500 0.010 0.000 0.729 340 K HN -0.066 nan 8.250 nan 0.000 0.446 341 K N 0.132 120.536 120.400 0.007 0.000 2.444 341 K HA 0.071 4.391 4.320 -0.000 0.000 0.193 341 K C -0.127 176.475 176.600 0.003 0.000 1.024 341 K CA 0.323 56.613 56.287 0.006 0.000 1.077 341 K CB 0.716 33.220 32.500 0.008 0.000 0.833 341 K HN -0.063 nan 8.250 nan 0.000 0.517 342 T N -1.382 113.173 114.554 0.002 0.000 2.889 342 T HA 0.283 4.632 4.350 -0.000 0.000 0.315 342 T C -0.558 174.140 174.700 -0.003 0.000 1.291 342 T CA -0.659 61.441 62.100 -0.000 0.000 1.028 342 T CB 1.323 70.191 68.868 0.000 0.000 1.235 342 T HN -0.186 nan 8.240 nan 0.000 0.491 343 K N 1.610 122.009 120.400 -0.002 0.000 2.367 343 K HA 0.458 4.778 4.320 -0.000 0.000 0.195 343 K C 0.515 177.112 176.600 -0.005 0.000 1.060 343 K CA -0.010 56.275 56.287 -0.003 0.000 1.022 343 K CB 0.212 32.713 32.500 0.001 0.000 0.894 343 K HN 0.494 nan 8.250 nan 0.000 0.540 344 L N 3.283 124.503 121.223 -0.004 0.000 2.559 344 L HA 0.034 4.374 4.340 -0.000 0.000 0.282 344 L C -2.094 174.752 176.870 -0.040 0.000 1.232 344 L CA -1.443 53.392 54.840 -0.009 0.000 0.885 344 L CB -0.088 41.973 42.059 0.002 0.000 1.131 344 L HN -0.051 nan 8.230 nan 0.000 0.498 345 P HA 0.223 nan 4.420 nan 0.000 0.275 345 P C -0.685 176.500 177.300 -0.193 0.000 1.227 345 P CA -0.039 62.994 63.100 -0.111 0.000 0.781 345 P CB 0.630 32.261 31.700 -0.115 0.000 0.906 346 I N 2.465 122.926 120.570 -0.180 0.000 2.354 346 I HA 0.267 4.437 4.170 -0.000 0.000 0.292 346 I C -0.254 175.680 176.117 -0.305 0.000 0.989 346 I CA -0.783 60.383 61.300 -0.223 0.000 1.188 346 I CB 1.560 39.492 38.000 -0.113 0.000 1.342 346 I HN -0.023 nan 8.210 nan 0.000 0.457 347 V N 7.457 127.059 119.914 -0.521 0.000 2.417 347 V HA 0.376 4.496 4.120 -0.000 0.000 0.291 347 V C 0.203 176.121 176.094 -0.293 0.000 1.024 347 V CA -0.590 61.398 62.300 -0.522 0.000 0.861 347 V CB 1.816 32.962 31.823 -1.129 0.000 0.985 347 V HN 0.474 nan 8.190 nan 0.000 0.436 348 I N 5.167 125.670 120.570 -0.112 0.000 2.329 348 I HA 0.223 4.393 4.170 -0.000 0.000 0.295 348 I C 0.586 176.716 176.117 0.020 0.000 1.109 348 I CA 0.083 61.361 61.300 -0.037 0.000 1.297 348 I CB 0.353 38.360 38.000 0.012 0.000 1.433 348 I HN 0.555 nan 8.210 nan 0.000 0.509 349 K N 6.347 126.771 120.400 0.039 0.000 2.263 349 K HA 0.476 4.796 4.320 -0.000 0.000 0.282 349 K C 0.520 177.163 176.600 0.071 0.000 1.089 349 K CA -0.088 56.258 56.287 0.099 0.000 0.907 349 K CB 0.485 33.065 32.500 0.133 0.000 1.148 349 K HN 0.861 nan 8.250 nan 0.000 0.470 350 G N 2.527 111.380 108.800 0.088 0.000 2.207 350 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.193 350 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.193 350 G C -0.529 174.421 174.900 0.085 0.000 1.050 350 G CA -0.469 44.687 45.100 0.092 0.000 0.780 350 G HN 0.456 nan 8.290 nan 0.000 0.504 351 V N 0.441 120.411 119.914 0.094 0.000 2.649 351 V HA 0.482 4.602 4.120 -0.000 0.000 0.292 351 V C 0.989 177.141 176.094 0.096 0.000 1.055 351 V CA 0.534 62.895 62.300 0.102 0.000 1.023 351 V CB 1.558 33.457 31.823 0.126 0.000 0.992 351 V HN 0.475 nan 8.190 nan 0.000 0.480 352 Q N 2.830 122.685 119.800 0.091 0.000 2.081 352 Q HA 0.262 4.602 4.340 -0.000 0.000 0.220 352 Q C 0.196 176.239 176.000 0.073 0.000 0.775 352 Q CA -0.238 55.611 55.803 0.078 0.000 0.983 352 Q CB 1.062 29.845 28.738 0.075 0.000 1.188 352 Q HN 0.824 nan 8.270 nan 0.000 0.458 353 R N -1.411 119.139 120.500 0.082 0.000 2.740 353 R HA 0.473 4.813 4.340 -0.000 0.000 0.273 353 R C -0.206 176.137 176.300 0.072 0.000 0.998 353 R CA -0.487 55.656 56.100 0.071 0.000 0.900 353 R CB 0.794 31.137 30.300 0.072 0.000 1.223 353 R HN -0.258 nan 8.270 nan 0.000 0.466 354 T N 1.188 115.774 114.554 0.053 0.000 2.788 354 T HA -0.115 4.235 4.350 -0.000 0.000 0.268 354 T C 1.020 175.746 174.700 0.043 0.000 1.044 354 T CA 2.070 64.196 62.100 0.044 0.000 1.139 354 T CB -0.110 68.775 68.868 0.028 0.000 0.867 354 T HN 0.625 nan 8.240 nan 0.000 0.454 355 E N 1.028 121.255 120.200 0.046 0.000 2.153 355 E HA -0.101 4.249 4.350 -0.000 0.000 0.194 355 E C 1.842 178.468 176.600 0.043 0.000 0.988 355 E CA 0.971 57.391 56.400 0.032 0.000 0.811 355 E CB -0.090 29.632 29.700 0.036 0.000 0.746 355 E HN 0.366 nan 8.360 nan 0.000 0.466 356 D N -0.855 119.613 120.400 0.115 0.000 2.305 356 D HA -0.015 4.625 4.640 -0.000 0.000 0.206 356 D C 1.740 178.158 176.300 0.197 0.000 0.974 356 D CA 0.251 54.387 54.000 0.226 0.000 0.871 356 D CB 0.237 41.245 40.800 0.348 0.000 0.947 356 D HN 0.024 nan 8.370 nan 0.000 0.516 357 V N 1.159 121.144 119.914 0.119 0.000 2.270 357 V HA -0.200 3.920 4.120 -0.000 0.000 0.245 357 V C 2.520 178.634 176.094 0.034 0.000 1.043 357 V CA 1.042 63.396 62.300 0.091 0.000 1.014 357 V CB -0.314 31.548 31.823 0.065 0.000 0.645 357 V HN 0.166 nan 8.190 nan 0.000 0.447 358 I N -0.318 120.250 120.570 -0.002 0.000 2.145 358 I HA -0.364 3.806 4.170 -0.000 0.000 0.244 358 I C 2.600 178.642 176.117 -0.125 0.000 1.075 358 I CA 1.916 63.186 61.300 -0.050 0.000 1.332 358 I CB -0.442 37.528 38.000 -0.050 0.000 1.033 358 I HN 0.277 nan 8.210 nan 0.000 0.410 359 K N 0.518 120.794 120.400 -0.207 0.000 2.097 359 K HA -0.166 4.154 4.320 -0.000 0.000 0.206 359 K C 2.217 178.517 176.600 -0.499 0.000 1.049 359 K CA 1.469 57.439 56.287 -0.528 0.000 0.933 359 K CB -0.209 31.703 32.500 -0.981 0.000 0.717 359 K HN 0.353 nan 8.250 nan 0.000 0.442 360 A N 1.010 123.736 122.820 -0.156 0.000 1.933 360 A HA -0.112 4.207 4.320 -0.000 0.000 0.218 360 A C 2.261 179.848 177.584 0.006 0.000 1.175 360 A CA 1.801 53.889 52.037 0.084 0.000 0.628 360 A CB -0.569 18.563 19.000 0.219 0.000 0.814 360 A HN 0.365 nan 8.150 nan 0.000 0.444 361 A N -0.118 122.682 122.820 -0.033 0.000 1.873 361 A HA -0.145 4.175 4.320 -0.000 0.000 0.215 361 A C 1.918 179.468 177.584 -0.057 0.000 1.186 361 A CA 1.541 53.558 52.037 -0.034 0.000 0.616 361 A CB -0.526 18.454 19.000 -0.033 0.000 0.823 361 A HN 0.610 nan 8.150 nan 0.000 0.442 362 E N -0.259 119.879 120.200 -0.102 0.000 2.085 362 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 362 E C 1.727 178.272 176.600 -0.091 0.000 0.994 362 E CA 1.566 57.901 56.400 -0.109 0.000 0.801 362 E CB -0.415 29.192 29.700 -0.156 0.000 0.743 362 E HN 0.897 nan 8.360 nan 0.000 0.453 363 I N -2.391 118.120 120.570 -0.100 0.000 3.646 363 I HA 0.269 4.439 4.170 -0.000 0.000 0.301 363 I C 1.091 177.209 176.117 0.001 0.000 1.276 363 I CA 0.521 61.800 61.300 -0.034 0.000 1.254 363 I CB -0.074 37.932 38.000 0.010 0.000 1.020 363 I HN 0.053 nan 8.210 nan 0.000 0.473 364 G N 1.890 110.683 108.800 -0.011 0.000 2.273 364 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.280 364 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.280 364 G C 0.294 175.196 174.900 0.003 0.000 1.047 364 G CA 0.364 45.461 45.100 -0.005 0.000 0.869 364 G HN 0.850 nan 8.290 nan 0.000 0.502 365 V N -2.996 116.929 119.914 0.018 0.000 3.441 365 V HA 0.711 4.831 4.120 -0.000 0.000 0.300 365 V C 1.489 177.571 176.094 -0.020 0.000 1.091 365 V CA 0.911 63.212 62.300 0.002 0.000 1.099 365 V CB 1.015 32.848 31.823 0.018 0.000 1.138 365 V HN 0.245 nan 8.190 nan 0.000 0.471 366 S N 0.831 116.499 115.700 -0.053 0.000 2.362 366 S HA 0.365 4.835 4.470 -0.000 0.000 0.221 366 S C 0.773 175.351 174.600 -0.036 0.000 1.032 366 S CA 0.941 59.108 58.200 -0.056 0.000 0.973 366 S CB -0.086 63.057 63.200 -0.095 0.000 0.849 366 S HN 1.384 nan 8.310 nan 0.000 0.465 367 G N -0.564 108.205 108.800 -0.052 0.000 2.815 367 G HA2 0.621 4.581 3.960 -0.000 0.000 0.305 367 G HA3 0.621 4.581 3.960 -0.000 0.000 0.305 367 G C -1.851 173.068 174.900 0.031 0.000 1.277 367 G CA -0.379 44.738 45.100 0.028 0.000 0.795 367 G HN 0.167 nan 8.290 nan 0.000 0.528 368 V N -0.535 119.464 119.914 0.141 0.000 2.871 368 V HA 0.371 4.491 4.120 -0.000 0.000 0.283 368 V C -1.052 175.204 176.094 0.270 0.000 1.422 368 V CA -0.566 61.822 62.300 0.146 0.000 0.943 368 V CB 1.924 33.822 31.823 0.125 0.000 1.125 368 V HN 0.735 nan 8.190 nan 0.000 0.440 369 V N 6.332 126.393 119.914 0.246 0.000 2.364 369 V HA 0.397 4.517 4.120 -0.000 0.000 0.272 369 V C -0.046 176.168 176.094 0.200 0.000 1.036 369 V CA -0.690 61.787 62.300 0.294 0.000 0.880 369 V CB 1.346 33.338 31.823 0.281 0.000 0.991 369 V HN 0.597 nan 8.190 nan 0.000 0.460 370 L N 5.029 126.367 121.223 0.191 0.000 2.565 370 L HA 0.382 4.721 4.340 -0.000 0.000 0.275 370 L C 0.487 177.436 176.870 0.132 0.000 1.137 370 L CA 1.061 55.984 54.840 0.138 0.000 0.915 370 L CB 0.041 42.169 42.059 0.115 0.000 1.232 370 L HN 0.838 nan 8.230 nan 0.000 0.473 371 S N 2.714 118.481 115.700 0.112 0.000 2.547 371 S HA 0.619 5.089 4.470 -0.000 0.000 0.270 371 S C -0.330 174.328 174.600 0.097 0.000 1.150 371 S CA -0.751 57.509 58.200 0.100 0.000 0.850 371 S CB 1.052 64.307 63.200 0.091 0.000 1.118 371 S HN 0.671 nan 8.310 nan 0.000 0.461 372 N N 1.259 120.018 118.700 0.099 0.000 2.517 372 N HA 0.247 4.986 4.740 -0.000 0.000 0.285 372 N C -0.311 175.301 175.510 0.170 0.000 1.528 372 N CA -0.275 52.844 53.050 0.114 0.000 0.892 372 N CB -0.470 38.066 38.487 0.083 0.000 1.356 372 N HN 0.830 nan 8.380 nan 0.000 0.495 373 H N 0.576 119.665 119.070 0.032 0.000 2.839 373 H HA -0.108 4.448 4.556 -0.000 0.000 0.298 373 H C 1.125 176.445 175.328 -0.013 0.000 1.224 373 H CA 0.866 56.922 56.048 0.012 0.000 1.144 373 H CB -1.321 28.450 29.762 0.016 0.000 1.372 373 H HN 0.763 nan 8.280 nan 0.000 0.408 374 G N -0.522 108.322 108.800 0.074 0.000 2.305 374 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.287 374 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.287 374 G C 1.370 176.314 174.900 0.074 0.000 1.036 374 G CA 1.193 46.332 45.100 0.066 0.000 0.887 374 G HN 1.812 nan 8.290 nan 0.000 0.505 375 G N -1.308 107.546 108.800 0.089 0.000 2.203 375 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.263 375 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.263 375 G C 0.883 175.776 174.900 -0.012 0.000 1.012 375 G CA 1.187 46.321 45.100 0.057 0.000 0.749 375 G HN 1.010 nan 8.290 nan 0.000 0.512 376 R N -1.136 119.365 120.500 0.002 0.000 2.334 376 R HA 0.220 4.560 4.340 -0.000 0.000 0.216 376 R C 1.931 178.176 176.300 -0.090 0.000 0.905 376 R CA 0.508 56.573 56.100 -0.057 0.000 1.064 376 R CB 0.131 30.418 30.300 -0.022 0.000 1.046 376 R HN 0.410 nan 8.270 nan 0.000 0.508 377 Q N -0.262 119.508 119.800 -0.051 0.000 2.160 377 Q HA 0.215 4.555 4.340 -0.000 0.000 0.166 377 Q C 0.019 176.007 176.000 -0.020 0.000 0.592 377 Q CA -0.181 55.580 55.803 -0.070 0.000 0.711 377 Q CB -0.024 28.669 28.738 -0.075 0.000 1.157 377 Q HN 0.115 nan 8.270 nan 0.000 0.463 378 L N 3.495 124.725 121.223 0.012 0.000 2.278 378 L HA 0.206 4.546 4.340 -0.000 0.000 0.287 378 L C -0.696 176.198 176.870 0.040 0.000 1.072 378 L CA -0.116 54.745 54.840 0.036 0.000 0.819 378 L CB 0.663 42.754 42.059 0.053 0.000 1.176 378 L HN 0.286 nan 8.230 nan 0.000 0.435 379 D N 3.860 124.286 120.400 0.045 0.000 2.382 379 D HA 0.134 4.774 4.640 -0.000 0.000 0.245 379 D C 0.242 176.621 176.300 0.132 0.000 1.120 379 D CA 0.507 54.504 54.000 -0.004 0.000 0.890 379 D CB 0.442 41.227 40.800 -0.025 0.000 1.201 379 D HN 0.433 nan 8.370 nan 0.000 0.433 380 F N -0.150 119.816 119.950 0.026 0.000 2.926 380 F HA -0.256 4.271 4.527 -0.000 0.000 0.288 380 F C 0.845 176.658 175.800 0.023 0.000 0.756 380 F CA 0.444 58.458 58.000 0.022 0.000 1.292 380 F CB -1.884 37.127 39.000 0.017 0.000 1.482 380 F HN 0.164 nan 8.300 nan 0.000 0.400 381 S N 0.402 116.167 115.700 0.108 0.000 2.565 381 S HA 0.548 5.017 4.470 -0.000 0.000 0.276 381 S C 0.746 175.381 174.600 0.058 0.000 1.326 381 S CA -0.551 57.699 58.200 0.082 0.000 1.045 381 S CB 0.729 63.966 63.200 0.062 0.000 0.918 381 S HN 0.294 nan 8.310 nan 0.000 0.505 382 R N 1.824 122.358 120.500 0.057 0.000 2.679 382 R HA 0.399 4.739 4.340 -0.000 0.000 0.269 382 R C 0.381 176.687 176.300 0.009 0.000 1.076 382 R CA -0.183 55.937 56.100 0.034 0.000 1.160 382 R CB 0.242 30.560 30.300 0.030 0.000 1.054 382 R HN 0.718 nan 8.270 nan 0.000 0.507 383 A N 3.628 126.436 122.820 -0.020 0.000 2.548 383 A HA 0.097 4.417 4.320 -0.000 0.000 0.247 383 A C -1.565 175.988 177.584 -0.053 0.000 1.067 383 A CA -1.083 50.923 52.037 -0.051 0.000 0.757 383 A CB -0.063 18.870 19.000 -0.113 0.000 0.996 383 A HN 0.534 nan 8.150 nan 0.000 0.504 384 P HA -0.195 nan 4.420 nan 0.000 0.216 384 P C 1.413 178.683 177.300 -0.051 0.000 1.150 384 P CA 0.894 63.993 63.100 -0.001 0.000 0.843 384 P CB 0.050 31.781 31.700 0.051 0.000 0.787 385 I N 0.096 120.561 120.570 -0.176 0.000 2.335 385 I HA -0.225 3.945 4.170 -0.000 0.000 0.251 385 I C 2.149 178.167 176.117 -0.165 0.000 1.129 385 I CA 1.663 62.804 61.300 -0.265 0.000 1.402 385 I CB -0.599 36.934 38.000 -0.778 0.000 1.069 385 I HN -0.046 nan 8.210 nan 0.000 0.424 386 E N -0.588 119.527 120.200 -0.141 0.000 2.158 386 E HA -0.122 4.228 4.350 -0.000 0.000 0.191 386 E C 2.125 178.703 176.600 -0.036 0.000 0.982 386 E CA 1.065 57.416 56.400 -0.082 0.000 0.823 386 E CB 0.061 29.718 29.700 -0.071 0.000 0.766 386 E HN 0.347 nan 8.360 nan 0.000 0.468 387 V N 1.754 121.655 119.914 -0.022 0.000 2.307 387 V HA -0.246 3.874 4.120 -0.000 0.000 0.245 387 V C 2.518 178.617 176.094 0.009 0.000 1.045 387 V CA 1.371 63.675 62.300 0.006 0.000 1.024 387 V CB -0.534 31.305 31.823 0.025 0.000 0.651 387 V HN 0.424 nan 8.190 nan 0.000 0.449 388 L N 0.241 121.468 121.223 0.007 0.000 2.021 388 L HA -0.301 4.039 4.340 -0.000 0.000 0.215 388 L C 2.546 179.420 176.870 0.007 0.000 1.074 388 L CA 2.392 57.240 54.840 0.014 0.000 0.760 388 L CB -0.615 41.454 42.059 0.018 0.000 0.889 388 L HN 0.425 nan 8.230 nan 0.000 0.433 389 A N -1.249 121.567 122.820 -0.007 0.000 2.067 389 A HA -0.234 4.086 4.320 -0.000 0.000 0.219 389 A C 2.177 179.762 177.584 0.002 0.000 1.158 389 A CA 1.609 53.644 52.037 -0.004 0.000 0.661 389 A CB -0.371 18.619 19.000 -0.016 0.000 0.801 389 A HN 0.598 nan 8.150 nan 0.000 0.452 390 E N -0.603 119.599 120.200 0.002 0.000 2.122 390 E HA -0.117 4.232 4.350 -0.000 0.000 0.190 390 E C 2.077 178.683 176.600 0.010 0.000 0.977 390 E CA 1.374 57.778 56.400 0.006 0.000 0.820 390 E CB -0.022 29.683 29.700 0.008 0.000 0.770 390 E HN 0.654 nan 8.360 nan 0.000 0.462 391 T N -0.999 113.563 114.554 0.014 0.000 3.009 391 T HA -0.043 4.307 4.350 -0.000 0.000 0.258 391 T C 1.882 176.589 174.700 0.011 0.000 1.063 391 T CA 0.370 62.479 62.100 0.016 0.000 1.139 391 T CB 0.010 68.893 68.868 0.025 0.000 0.890 391 T HN -0.035 nan 8.240 nan 0.000 0.471 392 M N 1.828 121.434 119.600 0.011 0.000 2.065 392 M HA 0.112 4.592 4.480 -0.000 0.000 0.259 392 M C -0.522 175.782 176.300 0.006 0.000 1.069 392 M CA 0.895 56.199 55.300 0.008 0.000 1.110 392 M CB -2.534 30.072 32.600 0.010 0.000 1.328 392 M HN 0.230 nan 8.290 nan 0.000 0.405 393 P HA -0.124 nan 4.420 nan 0.000 0.217 393 P C 1.802 179.105 177.300 0.004 0.000 1.148 393 P CA 1.274 64.378 63.100 0.006 0.000 0.828 393 P CB -0.145 31.560 31.700 0.007 0.000 0.783 394 I N -1.648 118.924 120.570 0.004 0.000 2.233 394 I HA -0.186 3.984 4.170 -0.000 0.000 0.243 394 I C 2.282 178.398 176.117 -0.002 0.000 1.093 394 I CA 1.016 62.316 61.300 0.001 0.000 1.380 394 I CB -0.594 37.407 38.000 0.002 0.000 1.067 394 I HN -0.142 nan 8.210 nan 0.000 0.413 395 L N 0.335 121.557 121.223 -0.001 0.000 2.051 395 L HA -0.305 4.035 4.340 -0.000 0.000 0.214 395 L C 2.493 179.360 176.870 -0.005 0.000 1.076 395 L CA 1.662 56.499 54.840 -0.005 0.000 0.758 395 L CB -0.678 41.379 42.059 -0.004 0.000 0.890 395 L HN 0.317 nan 8.230 nan 0.000 0.433 396 E N -0.030 120.169 120.200 -0.002 0.000 2.038 396 E HA -0.263 4.087 4.350 -0.000 0.000 0.195 396 E C 1.968 178.567 176.600 -0.003 0.000 1.000 396 E CA 1.102 57.501 56.400 -0.002 0.000 0.803 396 E CB -0.018 29.683 29.700 0.002 0.000 0.750 396 E HN 0.442 nan 8.360 nan 0.000 0.448 397 Q N -0.381 119.418 119.800 -0.002 0.000 2.576 397 Q HA -0.074 4.266 4.340 -0.000 0.000 0.219 397 Q C 0.655 176.651 176.000 -0.006 0.000 0.976 397 Q CA 0.550 56.351 55.803 -0.003 0.000 0.977 397 Q CB 0.149 28.886 28.738 -0.003 0.000 0.988 397 Q HN 0.110 nan 8.270 nan 0.000 0.555 398 R N -1.643 118.853 120.500 -0.008 0.000 2.471 398 R HA 0.098 4.437 4.340 -0.000 0.000 0.326 398 R C -0.244 176.050 176.300 -0.011 0.000 0.875 398 R CA 0.065 56.159 56.100 -0.011 0.000 1.102 398 R CB 0.506 30.798 30.300 -0.014 0.000 1.749 398 R HN 0.257 nan 8.270 nan 0.000 0.487 399 N N 0.291 118.986 118.700 -0.009 0.000 2.753 399 N HA -0.201 4.539 4.740 -0.000 0.000 0.251 399 N C 0.401 175.905 175.510 -0.010 0.000 1.097 399 N CA 0.774 53.819 53.050 -0.008 0.000 0.786 399 N CB -1.233 37.249 38.487 -0.008 0.000 1.137 399 N HN 0.205 nan 8.380 nan 0.000 0.566 400 L N 0.042 121.258 121.223 -0.012 0.000 2.509 400 L HA 0.074 4.414 4.340 -0.000 0.000 0.222 400 L C 2.241 179.103 176.870 -0.014 0.000 1.123 400 L CA 0.354 55.185 54.840 -0.014 0.000 0.856 400 L CB -0.125 41.924 42.059 -0.017 0.000 0.985 400 L HN 0.210 nan 8.230 nan 0.000 0.456 401 K N 0.313 120.706 120.400 -0.012 0.000 2.281 401 K HA -0.222 4.098 4.320 -0.000 0.000 0.203 401 K C 1.332 177.921 176.600 -0.019 0.000 1.046 401 K CA 1.263 57.541 56.287 -0.014 0.000 0.938 401 K CB 0.133 32.627 32.500 -0.010 0.000 0.737 401 K HN 0.239 nan 8.250 nan 0.000 0.458 402 D N 0.238 120.629 120.400 -0.015 0.000 2.277 402 D HA -0.031 4.609 4.640 -0.000 0.000 0.209 402 D C 1.451 177.742 176.300 -0.016 0.000 0.970 402 D CA 0.561 54.552 54.000 -0.015 0.000 0.874 402 D CB 0.401 41.196 40.800 -0.008 0.000 0.982 402 D HN 0.063 nan 8.370 nan 0.000 0.504 403 K N 0.036 120.427 120.400 -0.015 0.000 2.147 403 K HA -0.022 4.298 4.320 -0.000 0.000 0.205 403 K C 0.948 177.538 176.600 -0.016 0.000 1.049 403 K CA 0.408 56.686 56.287 -0.014 0.000 0.936 403 K CB 0.651 33.142 32.500 -0.015 0.000 0.722 403 K HN 0.212 nan 8.250 nan 0.000 0.446 404 L N 1.801 123.012 121.223 -0.020 0.000 2.362 404 L HA 0.231 4.571 4.340 -0.000 0.000 0.275 404 L C -0.731 176.113 176.870 -0.043 0.000 0.998 404 L CA -0.398 54.430 54.840 -0.020 0.000 0.820 404 L CB 2.142 44.196 42.059 -0.008 0.000 1.270 404 L HN 0.050 nan 8.230 nan 0.000 0.415 405 E N 3.171 123.339 120.200 -0.054 0.000 2.200 405 E HA 0.322 4.672 4.350 -0.000 0.000 0.283 405 E C -1.084 175.407 176.600 -0.182 0.000 1.015 405 E CA -0.507 55.798 56.400 -0.157 0.000 0.819 405 E CB 2.317 31.920 29.700 -0.161 0.000 1.081 405 E HN 0.235 nan 8.360 nan 0.000 0.397 406 V N 5.306 125.060 119.914 -0.267 0.000 2.334 406 V HA 0.303 4.423 4.120 -0.000 0.000 0.281 406 V C -0.497 175.474 176.094 -0.205 0.000 1.016 406 V CA -0.571 61.657 62.300 -0.120 0.000 0.832 406 V CB -0.125 31.678 31.823 -0.032 0.000 0.999 406 V HN 0.521 nan 8.190 nan 0.000 0.439 407 F N 3.400 123.423 119.950 0.123 0.000 2.410 407 F HA 0.776 5.303 4.527 -0.000 0.000 0.324 407 F C 0.285 176.203 175.800 0.196 0.000 1.093 407 F CA -0.803 57.321 58.000 0.207 0.000 1.028 407 F CB 1.640 40.809 39.000 0.283 0.000 1.309 407 F HN 0.210 nan 8.300 nan 0.000 0.499 408 V N 0.862 121.039 119.914 0.438 0.000 2.891 408 V HA 0.389 4.509 4.120 -0.000 0.000 0.304 408 V C -1.665 174.572 176.094 0.238 0.000 1.171 408 V CA -0.538 61.929 62.300 0.278 0.000 0.943 408 V CB 2.110 34.062 31.823 0.214 0.000 1.037 408 V HN 0.887 nan 8.190 nan 0.000 0.427 409 D N 3.005 123.509 120.400 0.174 0.000 2.592 409 D HA 0.837 5.477 4.640 -0.000 0.000 0.263 409 D C -0.181 176.184 176.300 0.109 0.000 1.132 409 D CA -0.095 53.964 54.000 0.097 0.000 0.996 409 D CB 1.940 42.763 40.800 0.039 0.000 1.442 409 D HN 1.403 nan 8.370 nan 0.000 0.486 410 G N -1.645 107.205 108.800 0.083 0.000 3.448 410 G HA2 0.472 4.432 3.960 -0.000 0.000 0.685 410 G HA3 0.472 4.432 3.960 -0.000 0.000 0.685 410 G C 0.704 175.709 174.900 0.175 0.000 1.151 410 G CA 0.283 45.450 45.100 0.112 0.000 1.023 410 G HN 1.830 nan 8.290 nan 0.000 0.499 411 G N -0.706 108.174 108.800 0.132 0.000 2.162 411 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.260 411 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.260 411 G C 0.641 175.641 174.900 0.166 0.000 0.976 411 G CA 0.659 45.863 45.100 0.174 0.000 0.655 411 G HN 1.946 nan 8.290 nan 0.000 0.533 412 V N 1.502 121.424 119.914 0.012 0.000 2.439 412 V HA 0.447 4.567 4.120 -0.000 0.000 0.271 412 V C 1.267 177.235 176.094 -0.210 0.000 1.040 412 V CA 0.155 62.354 62.300 -0.168 0.000 1.002 412 V CB 1.163 32.868 31.823 -0.196 0.000 1.000 412 V HN 0.371 nan 8.190 nan 0.000 0.477 413 R N 3.487 123.865 120.500 -0.203 0.000 2.544 413 R HA 0.335 4.675 4.340 -0.000 0.000 0.303 413 R C 0.194 176.307 176.300 -0.312 0.000 0.939 413 R CA -0.234 55.669 56.100 -0.329 0.000 1.102 413 R CB 0.963 31.000 30.300 -0.439 0.000 1.440 413 R HN 0.448 nan 8.270 nan 0.000 0.532 414 R N -0.716 119.661 120.500 -0.205 0.000 2.725 414 R HA 0.361 4.701 4.340 -0.000 0.000 0.277 414 R C 0.867 177.079 176.300 -0.146 0.000 0.987 414 R CA -0.303 55.709 56.100 -0.147 0.000 0.901 414 R CB 1.425 31.707 30.300 -0.031 0.000 1.207 414 R HN 0.065 nan 8.270 nan 0.000 0.463 415 G N 0.255 108.990 108.800 -0.108 0.000 2.469 415 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.220 415 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.220 415 G C 1.153 176.046 174.900 -0.010 0.000 1.136 415 G CA 1.844 46.904 45.100 -0.066 0.000 0.759 415 G HN 0.678 nan 8.290 nan 0.000 0.562 416 T N -1.299 113.271 114.554 0.027 0.000 2.951 416 T HA -0.035 4.315 4.350 -0.000 0.000 0.268 416 T C 1.734 176.483 174.700 0.081 0.000 1.073 416 T CA 1.443 63.645 62.100 0.169 0.000 1.134 416 T CB -0.120 68.909 68.868 0.269 0.000 0.884 416 T HN 0.163 nan 8.240 nan 0.000 0.479 417 D N 1.567 121.891 120.400 -0.128 0.000 2.084 417 D HA -0.049 4.591 4.640 -0.000 0.000 0.194 417 D C 2.373 178.529 176.300 -0.241 0.000 0.990 417 D CA 0.846 54.575 54.000 -0.452 0.000 0.826 417 D CB -0.660 39.667 40.800 -0.789 0.000 0.971 417 D HN 0.296 nan 8.370 nan 0.000 0.453 418 V N 1.247 121.081 119.914 -0.132 0.000 2.287 418 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 418 V C 2.687 178.839 176.094 0.097 0.000 1.053 418 V CA 1.246 63.546 62.300 0.001 0.000 1.027 418 V CB -0.557 31.277 31.823 0.018 0.000 0.646 418 V HN 0.189 nan 8.190 nan 0.000 0.447 419 L N -0.739 120.555 121.223 0.117 0.000 2.083 419 L HA -0.221 4.119 4.340 -0.000 0.000 0.209 419 L C 2.576 179.588 176.870 0.236 0.000 1.083 419 L CA 1.683 56.627 54.840 0.173 0.000 0.752 419 L CB -0.555 41.609 42.059 0.175 0.000 0.899 419 L HN 0.288 nan 8.230 nan 0.000 0.433 420 K N -0.049 120.503 120.400 0.253 0.000 2.026 420 K HA -0.153 4.167 4.320 -0.000 0.000 0.208 420 K C 2.261 178.984 176.600 0.205 0.000 1.048 420 K CA 1.443 57.862 56.287 0.220 0.000 0.929 420 K CB -0.329 32.288 32.500 0.196 0.000 0.713 420 K HN 0.281 nan 8.250 nan 0.000 0.439 421 A N 1.247 124.219 122.820 0.254 0.000 1.865 421 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 421 A C 2.150 179.822 177.584 0.145 0.000 1.191 421 A CA 1.574 53.742 52.037 0.218 0.000 0.623 421 A CB -0.875 18.281 19.000 0.259 0.000 0.826 421 A HN 0.195 nan 8.150 nan 0.000 0.444 422 L N -0.876 120.431 121.223 0.140 0.000 2.083 422 L HA -0.250 4.090 4.340 -0.000 0.000 0.209 422 L C 2.649 179.575 176.870 0.093 0.000 1.083 422 L CA 1.244 56.148 54.840 0.107 0.000 0.752 422 L CB -0.781 41.342 42.059 0.107 0.000 0.899 422 L HN 0.479 nan 8.230 nan 0.000 0.433 423 C N -0.297 119.073 119.300 0.116 0.000 2.419 423 C HA -0.101 4.359 4.460 -0.000 0.000 0.281 423 C C 2.638 177.676 174.990 0.080 0.000 1.336 423 C CA 0.544 59.626 59.018 0.106 0.000 1.770 423 C CB -0.792 27.037 27.740 0.149 0.000 1.929 423 C HN 0.450 nan 8.230 nan 0.000 0.509 424 L N -0.324 120.945 121.223 0.078 0.000 2.446 424 L HA 0.195 4.535 4.340 -0.000 0.000 0.219 424 L C 1.953 178.846 176.870 0.039 0.000 1.116 424 L CA 1.306 56.178 54.840 0.054 0.000 0.844 424 L CB -0.187 41.902 42.059 0.049 0.000 0.970 424 L HN 0.526 nan 8.230 nan 0.000 0.457 425 G N -0.921 107.901 108.800 0.038 0.000 2.370 425 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.174 425 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.174 425 G C 0.268 175.164 174.900 -0.006 0.000 1.002 425 G CA -0.217 44.892 45.100 0.014 0.000 0.730 425 G HN 0.319 nan 8.290 nan 0.000 0.497 426 A N 0.277 123.107 122.820 0.016 0.000 2.477 426 A HA 0.671 4.991 4.320 -0.000 0.000 0.246 426 A C 1.185 178.734 177.584 -0.058 0.000 1.078 426 A CA 1.197 53.230 52.037 -0.007 0.000 0.770 426 A CB 0.681 19.726 19.000 0.076 0.000 1.011 426 A HN 0.361 nan 8.150 nan 0.000 0.494 427 K N 1.169 121.431 120.400 -0.229 0.000 2.305 427 K HA 0.232 4.552 4.320 -0.000 0.000 0.199 427 K C 0.652 177.197 176.600 -0.093 0.000 1.047 427 K CA 1.192 57.318 56.287 -0.268 0.000 0.976 427 K CB 0.141 32.314 32.500 -0.545 0.000 0.765 427 K HN 1.034 nan 8.250 nan 0.000 0.474 428 G N -0.916 107.911 108.800 0.044 0.000 2.579 428 G HA2 0.397 4.357 3.960 -0.000 0.000 0.292 428 G HA3 0.397 4.357 3.960 -0.000 0.000 0.292 428 G C -2.070 173.188 174.900 0.597 0.000 1.484 428 G CA -0.328 45.051 45.100 0.465 0.000 0.813 428 G HN 0.170 nan 8.290 nan 0.000 0.515 429 V N 0.157 120.363 119.914 0.486 0.000 2.638 429 V HA 0.958 5.078 4.120 -0.000 0.000 0.306 429 V C 0.284 176.244 176.094 -0.223 0.000 1.052 429 V CA 0.368 62.810 62.300 0.236 0.000 0.885 429 V CB 1.585 33.511 31.823 0.171 0.000 0.999 429 V HN 1.664 nan 8.190 nan 0.000 0.424 430 G N 4.950 113.445 108.800 -0.510 0.000 2.412 430 G HA2 0.696 4.656 3.960 -0.000 0.000 0.318 430 G HA3 0.696 4.656 3.960 -0.000 0.000 0.318 430 G C -1.474 173.218 174.900 -0.347 0.000 1.146 430 G CA -0.716 43.779 45.100 -1.009 0.000 0.882 430 G HN 0.839 nan 8.290 nan 0.000 0.501 431 L N 0.994 122.085 121.223 -0.219 0.000 2.410 431 L HA 0.583 4.923 4.340 -0.000 0.000 0.270 431 L C 1.023 177.879 176.870 -0.023 0.000 0.983 431 L CA -0.247 54.514 54.840 -0.132 0.000 0.822 431 L CB 2.130 44.024 42.059 -0.275 0.000 1.285 431 L HN 0.707 nan 8.230 nan 0.000 0.409 432 G N 1.316 110.055 108.800 -0.101 0.000 2.680 432 G HA2 0.061 4.021 3.960 -0.000 0.000 0.224 432 G HA3 0.061 4.021 3.960 -0.000 0.000 0.224 432 G C 1.275 176.046 174.900 -0.216 0.000 1.454 432 G CA -0.064 44.967 45.100 -0.114 0.000 0.900 432 G HN 0.537 nan 8.290 nan 0.000 0.570 433 R N 1.114 121.437 120.500 -0.294 0.000 2.103 433 R HA -0.083 4.257 4.340 -0.000 0.000 0.242 433 R C -0.105 175.831 176.300 -0.606 0.000 1.142 433 R CA 1.831 57.602 56.100 -0.548 0.000 0.960 433 R CB -1.106 28.964 30.300 -0.384 0.000 0.858 433 R HN 0.317 nan 8.270 nan 0.000 0.439 434 P HA -0.174 nan 4.420 nan 0.000 0.216 434 P C 0.778 177.854 177.300 -0.374 0.000 1.153 434 P CA 1.462 64.386 63.100 -0.293 0.000 0.858 434 P CB -0.078 31.325 31.700 -0.496 0.000 0.789 435 F N -1.505 118.303 119.950 -0.237 0.000 2.186 435 F HA -0.085 4.442 4.527 -0.000 0.000 0.299 435 F C 2.302 177.921 175.800 -0.302 0.000 1.090 435 F CA 0.541 58.391 58.000 -0.250 0.000 1.307 435 F CB -0.867 38.016 39.000 -0.196 0.000 1.019 435 F HN -0.197 nan 8.300 nan 0.000 0.489 436 L N -1.104 119.961 121.223 -0.263 0.000 2.046 436 L HA -0.258 4.082 4.340 -0.000 0.000 0.208 436 L C 2.239 178.923 176.870 -0.310 0.000 1.077 436 L CA 1.306 55.868 54.840 -0.464 0.000 0.747 436 L CB -0.588 40.925 42.059 -0.910 0.000 0.896 436 L HN 0.164 nan 8.230 nan 0.000 0.432 437 Y N -0.841 119.387 120.300 -0.120 0.000 2.337 437 Y HA -0.052 4.498 4.550 -0.000 0.000 0.293 437 Y C 2.518 178.382 175.900 -0.059 0.000 1.123 437 Y CA 0.483 58.586 58.100 0.005 0.000 1.201 437 Y CB -0.994 37.541 38.460 0.126 0.000 1.011 437 Y HN 0.097 nan 8.280 nan 0.000 0.545 438 A N 0.257 122.971 122.820 -0.176 0.000 1.898 438 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 438 A C 2.188 179.639 177.584 -0.220 0.000 1.181 438 A CA 1.794 53.417 52.037 -0.691 0.000 0.620 438 A CB -0.799 17.471 19.000 -1.216 0.000 0.819 438 A HN 0.418 nan 8.150 nan 0.000 0.442 439 N N 0.487 119.116 118.700 -0.118 0.000 2.104 439 N HA -0.111 4.629 4.740 -0.000 0.000 0.190 439 N C 1.789 177.311 175.510 0.021 0.000 1.024 439 N CA 1.830 54.859 53.050 -0.035 0.000 0.853 439 N CB -0.361 38.097 38.487 -0.050 0.000 1.008 439 N HN 0.338 nan 8.380 nan 0.000 0.424 440 S N -1.134 114.598 115.700 0.052 0.000 2.442 440 S HA -0.074 4.396 4.470 -0.000 0.000 0.236 440 S C 2.002 176.639 174.600 0.061 0.000 1.007 440 S CA 0.859 59.127 58.200 0.113 0.000 0.965 440 S CB -0.162 63.179 63.200 0.237 0.000 0.773 440 S HN 0.513 nan 8.310 nan 0.000 0.504 441 C N -1.331 117.998 119.300 0.047 0.000 2.535 441 C HA 0.294 4.754 4.460 -0.000 0.000 0.310 441 C C 1.177 175.972 174.990 -0.325 0.000 1.344 441 C CA -0.183 58.767 59.018 -0.113 0.000 1.831 441 C CB -0.659 27.101 27.740 0.033 0.000 2.284 441 C HN 0.658 nan 8.230 nan 0.000 0.523 442 Y N 0.287 120.623 120.300 0.060 0.000 2.767 442 Y HA 0.409 4.959 4.550 -0.000 0.000 0.254 442 Y C 1.501 177.415 175.900 0.024 0.000 1.133 442 Y CA 0.416 58.553 58.100 0.062 0.000 1.225 442 Y CB -0.303 38.228 38.460 0.119 0.000 1.312 442 Y HN 0.361 nan 8.280 nan 0.000 0.560 443 G N 2.209 111.074 108.800 0.109 0.000 2.581 443 G HA2 -0.430 3.530 3.960 -0.000 0.000 0.291 443 G HA3 -0.430 3.530 3.960 -0.000 0.000 0.291 443 G C 1.341 176.270 174.900 0.048 0.000 1.277 443 G CA 0.804 45.940 45.100 0.060 0.000 0.959 443 G HN 0.522 nan 8.290 nan 0.000 0.554 444 R N 0.133 120.652 120.500 0.031 0.000 2.139 444 R HA -0.139 4.201 4.340 -0.000 0.000 0.243 444 R C 2.033 178.347 176.300 0.024 0.000 1.145 444 R CA 2.129 58.236 56.100 0.011 0.000 0.976 444 R CB -0.611 29.692 30.300 0.005 0.000 0.866 444 R HN 0.461 nan 8.270 nan 0.000 0.449 445 N N 0.961 119.695 118.700 0.058 0.000 2.084 445 N HA -0.090 4.650 4.740 -0.000 0.000 0.190 445 N C 2.006 177.554 175.510 0.062 0.000 1.030 445 N CA 1.729 54.819 53.050 0.066 0.000 0.849 445 N CB -0.864 37.681 38.487 0.096 0.000 1.012 445 N HN 0.458 nan 8.380 nan 0.000 0.423 446 G N 1.032 109.887 108.800 0.092 0.000 2.476 446 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.218 446 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.218 446 G C 1.673 176.497 174.900 -0.127 0.000 1.164 446 G CA 1.288 46.379 45.100 -0.014 0.000 0.768 446 G HN 0.223 nan 8.290 nan 0.000 0.560 447 V N 0.711 120.588 119.914 -0.061 0.000 2.332 447 V HA -0.201 3.919 4.120 -0.000 0.000 0.248 447 V C 2.593 178.718 176.094 0.050 0.000 1.055 447 V CA 2.269 64.567 62.300 -0.004 0.000 1.038 447 V CB -0.446 31.350 31.823 -0.045 0.000 0.651 447 V HN 0.551 nan 8.190 nan 0.000 0.450 448 E N 0.403 120.623 120.200 0.034 0.000 2.077 448 E HA -0.302 4.048 4.350 -0.000 0.000 0.193 448 E C 2.242 178.901 176.600 0.098 0.000 0.989 448 E CA 1.620 58.052 56.400 0.053 0.000 0.800 448 E CB 0.001 29.721 29.700 0.033 0.000 0.746 448 E HN 0.482 nan 8.360 nan 0.000 0.452 449 K N 0.839 121.303 120.400 0.107 0.000 2.057 449 K HA -0.063 4.257 4.320 -0.000 0.000 0.206 449 K C 1.792 178.526 176.600 0.225 0.000 1.050 449 K CA 1.471 57.849 56.287 0.152 0.000 0.935 449 K CB -0.503 32.105 32.500 0.181 0.000 0.715 449 K HN 0.142 nan 8.250 nan 0.000 0.439 450 A N 0.785 123.760 122.820 0.258 0.000 1.883 450 A HA -0.132 4.187 4.320 -0.000 0.000 0.217 450 A C 2.278 179.996 177.584 0.223 0.000 1.186 450 A CA 1.867 54.059 52.037 0.258 0.000 0.624 450 A CB -0.753 18.306 19.000 0.098 0.000 0.822 450 A HN 0.363 nan 8.150 nan 0.000 0.444 451 I N -0.446 120.319 120.570 0.325 0.000 2.208 451 I HA -0.292 3.878 4.170 -0.000 0.000 0.245 451 I C 2.554 178.837 176.117 0.276 0.000 1.097 451 I CA 1.750 63.285 61.300 0.392 0.000 1.363 451 I CB -0.333 37.849 38.000 0.304 0.000 1.051 451 I HN 0.449 nan 8.210 nan 0.000 0.413 452 E N 0.746 121.050 120.200 0.174 0.000 2.028 452 E HA -0.205 4.145 4.350 -0.000 0.000 0.191 452 E C 2.315 178.966 176.600 0.085 0.000 0.988 452 E CA 1.360 57.831 56.400 0.119 0.000 0.799 452 E CB -0.129 29.620 29.700 0.082 0.000 0.755 452 E HN 0.417 nan 8.360 nan 0.000 0.447 453 I N 0.842 121.450 120.570 0.062 0.000 2.113 453 I HA -0.322 3.848 4.170 -0.000 0.000 0.242 453 I C 2.499 178.600 176.117 -0.026 0.000 1.057 453 I CA 0.938 62.242 61.300 0.007 0.000 1.314 453 I CB -0.253 37.745 38.000 -0.003 0.000 1.022 453 I HN 0.166 nan 8.210 nan 0.000 0.408 454 L N 0.696 121.881 121.223 -0.062 0.000 2.093 454 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 454 L C 2.589 179.450 176.870 -0.014 0.000 1.085 454 L CA 1.663 56.394 54.840 -0.181 0.000 0.755 454 L CB -0.802 40.929 42.059 -0.548 0.000 0.904 454 L HN 0.120 nan 8.230 nan 0.000 0.435 455 R N -0.604 119.989 120.500 0.156 0.000 2.066 455 R HA -0.155 4.185 4.340 -0.000 0.000 0.232 455 R C 1.772 178.135 176.300 0.105 0.000 1.131 455 R CA 1.819 58.053 56.100 0.223 0.000 0.955 455 R CB -0.249 30.182 30.300 0.219 0.000 0.851 455 R HN 0.369 nan 8.270 nan 0.000 0.432 456 D N 0.575 121.013 120.400 0.063 0.000 2.117 456 D HA -0.151 4.489 4.640 -0.000 0.000 0.197 456 D C 1.757 178.064 176.300 0.012 0.000 0.987 456 D CA 1.199 55.217 54.000 0.030 0.000 0.829 456 D CB -0.267 40.544 40.800 0.018 0.000 0.961 456 D HN 0.395 nan 8.370 nan 0.000 0.460 457 E N 0.098 120.296 120.200 -0.004 0.000 2.118 457 E HA -0.147 4.203 4.350 -0.000 0.000 0.195 457 E C 2.267 178.860 176.600 -0.012 0.000 0.992 457 E CA 0.600 56.987 56.400 -0.022 0.000 0.804 457 E CB -0.043 29.626 29.700 -0.052 0.000 0.741 457 E HN 0.355 nan 8.360 nan 0.000 0.458 458 I N 0.668 121.246 120.570 0.013 0.000 2.286 458 I HA -0.209 3.961 4.170 -0.000 0.000 0.245 458 I C 2.213 178.339 176.117 0.015 0.000 1.104 458 I CA 1.003 62.321 61.300 0.028 0.000 1.397 458 I CB -0.243 37.810 38.000 0.089 0.000 1.072 458 I HN 0.066 nan 8.210 nan 0.000 0.417 459 E N 0.852 121.066 120.200 0.024 0.000 2.047 459 E HA -0.198 4.152 4.350 -0.000 0.000 0.191 459 E C 2.373 178.967 176.600 -0.010 0.000 0.987 459 E CA 1.354 57.761 56.400 0.012 0.000 0.799 459 E CB -0.079 29.634 29.700 0.021 0.000 0.752 459 E HN 0.431 nan 8.360 nan 0.000 0.449 460 M N 0.287 119.879 119.600 -0.013 0.000 2.086 460 M HA -0.141 4.339 4.480 -0.000 0.000 0.261 460 M C 2.423 178.694 176.300 -0.049 0.000 1.067 460 M CA 1.186 56.471 55.300 -0.025 0.000 1.116 460 M CB -0.253 32.335 32.600 -0.020 0.000 1.348 460 M HN -0.036 nan 8.290 nan 0.000 0.407 461 S N 0.288 115.951 115.700 -0.062 0.000 2.428 461 S HA -0.035 4.435 4.470 -0.000 0.000 0.230 461 S C 1.798 176.301 174.600 -0.161 0.000 1.014 461 S CA 0.854 58.981 58.200 -0.121 0.000 0.957 461 S CB -0.202 62.926 63.200 -0.121 0.000 0.784 461 S HN 0.352 nan 8.310 nan 0.000 0.499 462 M N 1.508 121.048 119.600 -0.100 0.000 2.080 462 M HA -0.133 4.347 4.480 -0.000 0.000 0.260 462 M C 2.101 178.352 176.300 -0.082 0.000 1.068 462 M CA 1.511 56.760 55.300 -0.086 0.000 1.109 462 M CB -0.079 32.500 32.600 -0.035 0.000 1.342 462 M HN 0.116 nan 8.290 nan 0.000 0.405 463 R N -0.543 119.919 120.500 -0.062 0.000 2.081 463 R HA -0.121 4.219 4.340 -0.000 0.000 0.235 463 R C 1.881 178.145 176.300 -0.062 0.000 1.131 463 R CA 1.115 57.186 56.100 -0.048 0.000 0.960 463 R CB -0.475 29.805 30.300 -0.033 0.000 0.856 463 R HN 0.307 nan 8.270 nan 0.000 0.436 464 L N 0.522 121.694 121.223 -0.085 0.000 2.217 464 L HA -0.046 4.294 4.340 -0.000 0.000 0.211 464 L C 2.104 178.901 176.870 -0.122 0.000 1.107 464 L CA 1.234 56.021 54.840 -0.089 0.000 0.783 464 L CB -0.659 41.344 42.059 -0.092 0.000 0.919 464 L HN 0.200 nan 8.230 nan 0.000 0.442 465 L N -0.454 120.661 121.223 -0.181 0.000 2.217 465 L HA -0.008 4.332 4.340 -0.000 0.000 0.211 465 L C 1.152 177.963 176.870 -0.098 0.000 1.107 465 L CA 1.005 55.722 54.840 -0.205 0.000 0.783 465 L CB -0.284 41.601 42.059 -0.290 0.000 0.919 465 L HN 0.568 nan 8.230 nan 0.000 0.442 466 G N 0.397 109.154 108.800 -0.071 0.000 2.203 466 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.231 466 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.231 466 G C -0.160 174.725 174.900 -0.026 0.000 1.058 466 G CA 0.172 45.250 45.100 -0.038 0.000 0.781 466 G HN 0.364 nan 8.290 nan 0.000 0.496 467 V N -3.866 116.030 119.914 -0.030 0.000 3.130 467 V HA 0.965 5.085 4.120 -0.000 0.000 0.310 467 V C 0.613 176.701 176.094 -0.010 0.000 1.158 467 V CA 0.467 62.759 62.300 -0.014 0.000 1.029 467 V CB 1.742 33.560 31.823 -0.008 0.000 1.057 467 V HN 1.066 nan 8.190 nan 0.000 0.436 468 T N -2.418 112.136 114.554 0.001 0.000 3.016 468 T HA 0.399 4.748 4.350 -0.000 0.000 0.271 468 T C 0.522 175.231 174.700 0.014 0.000 0.968 468 T CA 0.574 62.677 62.100 0.005 0.000 0.891 468 T CB -0.230 68.641 68.868 0.006 0.000 1.149 468 T HN 1.639 nan 8.240 nan 0.000 0.524 469 S N 0.437 116.147 115.700 0.018 0.000 2.569 469 S HA 0.631 5.101 4.470 -0.000 0.000 0.280 469 S C 0.674 175.292 174.600 0.030 0.000 1.111 469 S CA -0.940 57.276 58.200 0.027 0.000 0.887 469 S CB 1.227 64.444 63.200 0.029 0.000 1.095 469 S HN -0.106 nan 8.310 nan 0.000 0.476 470 I N 1.468 122.060 120.570 0.036 0.000 2.248 470 I HA -0.193 3.977 4.170 -0.000 0.000 0.248 470 I C 2.765 178.904 176.117 0.038 0.000 1.107 470 I CA 2.068 63.392 61.300 0.041 0.000 1.373 470 I CB -2.044 35.982 38.000 0.044 0.000 1.055 470 I HN 0.924 nan 8.210 nan 0.000 0.418 471 A N -0.058 122.783 122.820 0.035 0.000 2.121 471 A HA -0.165 4.154 4.320 -0.000 0.000 0.218 471 A C 2.136 179.738 177.584 0.028 0.000 1.154 471 A CA 1.192 53.247 52.037 0.031 0.000 0.679 471 A CB -0.539 18.479 19.000 0.030 0.000 0.795 471 A HN 0.513 nan 8.150 nan 0.000 0.458 472 E N -0.650 119.567 120.200 0.028 0.000 2.478 472 E HA 0.145 4.495 4.350 -0.000 0.000 0.194 472 E C -0.448 176.170 176.600 0.030 0.000 1.045 472 E CA -0.329 56.086 56.400 0.025 0.000 0.868 472 E CB 0.000 29.712 29.700 0.019 0.000 0.885 472 E HN 0.563 nan 8.360 nan 0.000 0.505 473 L N 2.371 123.616 121.223 0.036 0.000 2.485 473 L HA 0.132 4.471 4.340 -0.000 0.000 0.279 473 L C 0.200 177.102 176.870 0.054 0.000 1.124 473 L CA 0.535 55.404 54.840 0.050 0.000 0.888 473 L CB 0.056 42.151 42.059 0.060 0.000 1.217 473 L HN -0.123 nan 8.230 nan 0.000 0.464 474 K N 3.805 124.239 120.400 0.058 0.000 2.444 474 K HA 0.391 4.711 4.320 -0.000 0.000 0.252 474 K C -1.912 174.727 176.600 0.065 0.000 0.993 474 K CA -1.751 54.568 56.287 0.053 0.000 0.847 474 K CB 2.242 34.767 32.500 0.041 0.000 1.340 474 K HN -0.043 nan 8.250 nan 0.000 0.446 475 P HA -0.218 nan 4.420 nan 0.000 0.219 475 P C 0.541 177.880 177.300 0.064 0.000 1.146 475 P CA 1.320 64.455 63.100 0.059 0.000 0.808 475 P CB 0.099 31.825 31.700 0.042 0.000 0.779 476 D N -0.305 120.129 120.400 0.057 0.000 2.350 476 D HA -0.118 4.521 4.640 -0.000 0.000 0.216 476 D C 1.487 177.832 176.300 0.075 0.000 0.968 476 D CA 0.705 54.738 54.000 0.056 0.000 0.894 476 D CB -0.628 40.198 40.800 0.042 0.000 0.909 476 D HN 0.238 nan 8.370 nan 0.000 0.520 477 L N -0.102 121.178 121.223 0.095 0.000 2.552 477 L HA 0.162 4.502 4.340 -0.000 0.000 0.227 477 L C 0.966 177.961 176.870 0.208 0.000 1.146 477 L CA 0.204 55.123 54.840 0.132 0.000 0.858 477 L CB -0.058 42.077 42.059 0.127 0.000 0.969 477 L HN -0.007 nan 8.230 nan 0.000 0.451 478 L N -0.173 121.146 121.223 0.159 0.000 2.334 478 L HA 0.319 4.659 4.340 -0.000 0.000 0.276 478 L C -0.538 176.392 176.870 0.100 0.000 1.014 478 L CA -0.682 54.243 54.840 0.142 0.000 0.815 478 L CB 1.916 44.030 42.059 0.093 0.000 1.268 478 L HN -0.157 nan 8.230 nan 0.000 0.428 479 D N 2.997 123.456 120.400 0.098 0.000 2.380 479 D HA 0.249 4.889 4.640 -0.000 0.000 0.230 479 D C 0.296 176.632 176.300 0.061 0.000 1.154 479 D CA -0.027 54.022 54.000 0.081 0.000 0.859 479 D CB 0.965 41.828 40.800 0.106 0.000 1.045 479 D HN 0.368 nan 8.370 nan 0.000 0.495 480 L N 2.754 124.001 121.223 0.041 0.000 2.667 480 L HA 0.049 4.389 4.340 -0.000 0.000 0.232 480 L C 2.113 178.995 176.870 0.020 0.000 1.138 480 L CA -0.013 54.843 54.840 0.027 0.000 0.921 480 L CB -0.009 42.062 42.059 0.020 0.000 1.180 480 L HN 0.363 nan 8.230 nan 0.000 0.487 481 S N -1.151 114.561 115.700 0.019 0.000 2.469 481 S HA -0.148 4.322 4.470 -0.000 0.000 0.238 481 S C 1.590 176.193 174.600 0.004 0.000 0.998 481 S CA 1.400 59.604 58.200 0.007 0.000 0.957 481 S CB -0.538 62.661 63.200 -0.002 0.000 0.764 481 S HN 0.524 nan 8.310 nan 0.000 0.514 482 T N -1.976 112.586 114.554 0.014 0.000 3.200 482 T HA 0.390 4.740 4.350 -0.000 0.000 0.284 482 T C 1.152 175.866 174.700 0.023 0.000 1.009 482 T CA -0.436 61.673 62.100 0.014 0.000 0.907 482 T CB -0.085 68.788 68.868 0.010 0.000 1.120 482 T HN 0.251 nan 8.240 nan 0.000 0.534 483 L N 0.649 121.882 121.223 0.016 0.000 2.129 483 L HA -0.021 4.319 4.340 -0.000 0.000 0.212 483 L C 1.579 178.447 176.870 -0.003 0.000 1.087 483 L CA 1.485 56.326 54.840 0.002 0.000 0.757 483 L CB -0.153 41.902 42.059 -0.007 0.000 0.896 483 L HN 0.191 nan 8.230 nan 0.000 0.434 484 K N 0.004 120.404 120.400 0.001 0.000 2.417 484 K HA 0.186 4.506 4.320 -0.000 0.000 0.196 484 K C 0.683 177.286 176.600 0.005 0.000 1.023 484 K CA 0.307 56.595 56.287 0.002 0.000 1.122 484 K CB 0.086 32.587 32.500 0.002 0.000 0.850 484 K HN 0.163 nan 8.250 nan 0.000 0.521 485 A N 1.776 124.602 122.820 0.009 0.000 3.077 485 A HA 0.104 4.424 4.320 -0.000 0.000 0.255 485 A C 0.170 177.763 177.584 0.015 0.000 1.728 485 A CA -0.218 51.826 52.037 0.011 0.000 1.383 485 A CB -0.694 18.314 19.000 0.013 0.000 1.097 485 A HN 0.114 nan 8.150 nan 0.000 0.634 486 R N 1.684 122.192 120.500 0.013 0.000 2.230 486 R HA 0.319 4.658 4.340 -0.000 0.000 0.337 486 R C -0.338 175.976 176.300 0.023 0.000 1.063 486 R CA 0.241 56.352 56.100 0.018 0.000 0.935 486 R CB 0.248 30.559 30.300 0.019 0.000 1.121 486 R HN 0.525 nan 8.270 nan 0.000 0.486 487 T N -0.412 114.157 114.554 0.024 0.000 2.918 487 T HA 0.530 4.880 4.350 -0.000 0.000 0.286 487 T C -0.330 174.388 174.700 0.029 0.000 1.026 487 T CA -0.782 61.331 62.100 0.022 0.000 1.031 487 T CB 2.095 70.972 68.868 0.015 0.000 1.046 487 T HN 0.130 nan 8.240 nan 0.000 0.479 488 V N 1.686 121.616 119.914 0.026 0.000 2.443 488 V HA 0.651 4.771 4.120 -0.000 0.000 0.293 488 V C 1.040 177.144 176.094 0.016 0.000 1.021 488 V CA -0.905 61.412 62.300 0.028 0.000 0.848 488 V CB 1.185 33.029 31.823 0.036 0.000 0.998 488 V HN 1.280 nan 8.190 nan 0.000 0.424 489 G N 2.734 111.543 108.800 0.015 0.000 2.491 489 G HA2 0.362 4.322 3.960 -0.000 0.000 0.238 489 G HA3 0.362 4.322 3.960 -0.000 0.000 0.238 489 G C 0.181 175.083 174.900 0.003 0.000 1.277 489 G CA 0.093 45.197 45.100 0.006 0.000 0.851 489 G HN 1.056 nan 8.290 nan 0.000 0.573 490 V N 2.377 122.287 119.914 -0.006 0.000 2.843 490 V HA 0.332 4.452 4.120 -0.000 0.000 0.305 490 V C -1.593 174.498 176.094 -0.005 0.000 1.065 490 V CA -1.441 60.854 62.300 -0.008 0.000 1.116 490 V CB 0.303 32.116 31.823 -0.017 0.000 0.968 490 V HN 0.642 nan 8.190 nan 0.000 0.487 491 P HA 0.143 nan 4.420 nan 0.000 0.266 491 P C -0.444 176.856 177.300 0.001 0.000 1.193 491 P CA 0.277 63.380 63.100 0.005 0.000 0.770 491 P CB 0.110 31.815 31.700 0.007 0.000 0.836 492 N N 0.978 119.683 118.700 0.009 0.000 2.503 492 N HA 0.014 4.754 4.740 -0.000 0.000 0.267 492 N C -0.124 175.397 175.510 0.019 0.000 1.214 492 N CA -0.284 52.771 53.050 0.009 0.000 0.959 492 N CB 0.339 38.837 38.487 0.018 0.000 1.142 492 N HN 0.416 nan 8.380 nan 0.000 0.455 493 D N 2.483 122.894 120.400 0.018 0.000 2.383 493 D HA 0.038 4.678 4.640 -0.000 0.000 0.245 493 D C 0.999 177.355 176.300 0.093 0.000 1.263 493 D CA -0.121 53.905 54.000 0.044 0.000 0.936 493 D CB 0.594 41.405 40.800 0.018 0.000 1.053 493 D HN 0.225 nan 8.370 nan 0.000 0.507 494 V N 4.758 124.715 119.914 0.072 0.000 2.255 494 V HA -0.269 3.851 4.120 -0.000 0.000 0.247 494 V C 2.585 178.731 176.094 0.087 0.000 1.051 494 V CA 1.344 63.687 62.300 0.071 0.000 1.018 494 V CB -0.442 31.411 31.823 0.050 0.000 0.641 494 V HN 0.591 nan 8.190 nan 0.000 0.445 495 L N -1.386 119.891 121.223 0.089 0.000 1.994 495 L HA -0.228 4.112 4.340 -0.000 0.000 0.208 495 L C 2.534 179.469 176.870 0.109 0.000 1.071 495 L CA 2.275 57.165 54.840 0.084 0.000 0.745 495 L CB -0.807 41.295 42.059 0.073 0.000 0.892 495 L HN 0.373 nan 8.230 nan 0.000 0.431 496 Y N 1.204 121.522 120.300 0.030 0.000 2.165 496 Y HA -0.297 4.253 4.550 -0.000 0.000 0.286 496 Y C 2.266 178.206 175.900 0.067 0.000 1.155 496 Y CA 2.108 60.230 58.100 0.037 0.000 1.164 496 Y CB -0.414 38.051 38.460 0.008 0.000 0.978 496 Y HN 0.255 nan 8.280 nan 0.000 0.513 497 N N -0.716 118.140 118.700 0.259 0.000 2.171 497 N HA -0.158 4.582 4.740 -0.000 0.000 0.184 497 N C 1.755 177.348 175.510 0.137 0.000 1.021 497 N CA 0.771 53.946 53.050 0.208 0.000 0.854 497 N CB -0.105 38.483 38.487 0.168 0.000 0.994 497 N HN 0.277 nan 8.380 nan 0.000 0.426 498 E N 0.827 121.080 120.200 0.087 0.000 2.038 498 E HA -0.157 4.193 4.350 -0.000 0.000 0.195 498 E C 2.266 178.879 176.600 0.022 0.000 1.000 498 E CA 1.340 57.770 56.400 0.050 0.000 0.803 498 E CB -0.248 29.473 29.700 0.036 0.000 0.750 498 E HN 0.331 nan 8.360 nan 0.000 0.448 499 V N -1.017 118.895 119.914 -0.003 0.000 2.548 499 V HA -0.100 4.020 4.120 -0.000 0.000 0.249 499 V C 1.465 177.523 176.094 -0.060 0.000 1.055 499 V CA 0.709 62.983 62.300 -0.042 0.000 1.065 499 V CB -1.136 30.648 31.823 -0.066 0.000 0.681 499 V HN 0.138 nan 8.190 nan 0.000 0.462 500 Y N 2.229 122.422 120.300 -0.179 0.000 2.610 500 Y HA 0.286 4.836 4.550 -0.000 0.000 0.332 500 Y C 0.424 176.277 175.900 -0.079 0.000 1.201 500 Y CA 0.127 58.123 58.100 -0.173 0.000 1.465 500 Y CB 0.320 38.664 38.460 -0.194 0.000 1.283 500 Y HN 0.369 nan 8.280 nan 0.000 0.563 501 E N 4.146 123.776 120.200 -0.950 0.000 2.155 501 E HA 0.339 4.689 4.350 -0.000 0.000 0.264 501 E C -0.184 175.778 176.600 -1.064 0.000 0.886 501 E CA -0.686 55.278 56.400 -0.726 0.000 0.752 501 E CB 1.278 30.748 29.700 -0.382 0.000 1.133 501 E HN 0.915 nan 8.360 nan 0.000 0.414 502 G N 3.773 112.213 108.800 -0.599 0.000 2.636 502 G HA2 0.210 4.170 3.960 -0.000 0.000 0.246 502 G HA3 0.210 4.170 3.960 -0.000 0.000 0.246 502 G C -1.988 172.830 174.900 -0.136 0.000 1.216 502 G CA -0.822 44.144 45.100 -0.223 0.000 0.854 502 G HN 0.326 nan 8.290 nan 0.000 0.572 503 P HA 0.209 nan 4.420 nan 0.000 0.269 503 P C -0.013 177.277 177.300 -0.017 0.000 1.211 503 P CA 0.205 63.299 63.100 -0.010 0.000 0.781 503 P CB 0.624 32.342 31.700 0.030 0.000 0.877 504 T N 1.142 115.684 114.554 -0.020 0.000 2.900 504 T HA 0.514 4.863 4.350 -0.000 0.000 0.295 504 T C -0.328 174.363 174.700 -0.016 0.000 1.044 504 T CA -0.566 61.523 62.100 -0.019 0.000 0.995 504 T CB 0.602 69.453 68.868 -0.029 0.000 1.072 504 T HN 0.117 nan 8.240 nan 0.000 0.473 505 L N 1.826 123.041 121.223 -0.014 0.000 2.375 505 L HA 0.399 4.739 4.340 -0.000 0.000 0.271 505 L C 1.035 177.884 176.870 -0.036 0.000 1.107 505 L CA -0.600 54.226 54.840 -0.024 0.000 0.806 505 L CB 0.661 42.707 42.059 -0.021 0.000 1.146 505 L HN 0.560 nan 8.230 nan 0.000 0.447 506 T N 0.750 115.269 114.554 -0.058 0.000 2.940 506 T HA -0.032 4.318 4.350 -0.000 0.000 0.309 506 T C 1.028 175.663 174.700 -0.107 0.000 1.056 506 T CA 0.100 62.155 62.100 -0.075 0.000 1.137 506 T CB 0.827 69.642 68.868 -0.088 0.000 0.976 506 T HN 0.665 nan 8.240 nan 0.000 0.547 507 E N 1.431 121.588 120.200 -0.071 0.000 2.307 507 E HA 0.249 4.599 4.350 -0.000 0.000 0.195 507 E C -0.640 176.020 176.600 0.101 0.000 0.975 507 E CA -0.104 56.296 56.400 0.001 0.000 0.878 507 E CB 0.237 29.959 29.700 0.036 0.000 0.845 507 E HN 0.694 nan 8.360 nan 0.000 0.488 508 F N 0.169 120.116 119.950 -0.005 0.000 2.173 508 F HA -0.165 4.362 4.527 -0.000 0.000 0.427 508 F C -0.024 175.772 175.800 -0.005 0.000 1.297 508 F CA -0.522 57.475 58.000 -0.005 0.000 1.326 508 F CB -0.121 38.876 39.000 -0.005 0.000 3.553 508 F HN -0.092 nan 8.300 nan 0.000 0.499 509 E N 2.915 123.259 120.200 0.240 0.000 2.390 509 E HA 0.415 4.765 4.350 -0.000 0.000 0.261 509 E C 1.039 177.693 176.600 0.090 0.000 1.076 509 E CA 1.367 57.840 56.400 0.121 0.000 0.905 509 E CB 0.567 30.322 29.700 0.093 0.000 0.984 509 E HN 0.671 nan 8.360 nan 0.000 0.427 510 D N 2.092 122.525 120.400 0.054 0.000 2.492 510 D HA -0.222 4.418 4.640 -0.000 0.000 0.592 510 D C 0.772 177.085 176.300 0.021 0.000 0.580 510 D CA 3.548 57.567 54.000 0.032 0.000 1.582 510 D CB -1.317 nan 40.800 nan 0.000 0.192 510 D HN 1.535 nan 8.370 nan 0.000 0.207 511 A N 0.000 122.827 122.820 0.012 0.000 2.254 511 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 511 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 511 A CB 0.000 19.000 19.000 -0.000 0.000 0.831 511 A HN 0.000 nan 8.150 nan 0.000 0.486