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 2jjd_1_D DATA FIRST_RESID 112 DATA SEQUENCE YFPIPVEHLE EEIRIRXXXX XKQFREEFNS LPSGHIQGTF ELANKEENRE DATA SEQUENCE KNRYPNILPN DHSRVILSQL XGIPCSDYIN ASYIDGYKEK NKFIAAQGPK DATA SEQUENCE QETVNDFWRM VWEQKSATIV MLTNLKERKE EKCHQYWPDQ GcWTYGNIRV DATA SEQUENCE cVEDCVVLVD YTIRKFCIQP XXXXXXKAPR LVSQLHFTSW PDFGVPFTPI DATA SEQUENCE GMLKFLKKVK TLNPVHAGPI VVHCSAGVGR TGTFIVIDAM MAMMHAEQKV DATA SEQUENCE DVFEFVSRIR NQRPQMVQTD MQYTFIYQAL LEYYLYGDTE LDVSSXXXXX DATA SEQUENCE XXXXXXXXXX XXXGLEEEFR KLTNVRIMKE NMRTGNLPAN MKKARVIQII DATA SEQUENCE PYDFNRVILS MXXXXXYTDY INASFIDGYR QKDYFIATQG PLAHTVEDFW DATA SEQUENCE RMIWEWKSHT IVMLTEVQER EQDKCYQYWP TEGSVTHGEI TIEIKNDTLS DATA SEQUENCE EAISIRDFLV TLNXXXXXXG EQVRVVRQFH FHGWPEIGIP AEGKGMIDLI DATA SEQUENCE AAVQKQQQQT GNHPITVHCS AGAGRTGTFI ALSNILERVK AEGLLDVFQA DATA SEQUENCE VKSLRLQRPH MVQTLEQYEF CYKVVQDFID 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 112 Y HA 0.000 nan 4.550 nan 0.000 0.201 112 Y C 0.000 175.897 175.900 -0.004 0.000 1.272 112 Y CA 0.000 57.999 58.100 -0.168 0.000 1.940 112 Y CB 0.000 38.174 38.460 -0.477 0.000 1.050 113 F N 1.267 121.292 119.950 0.124 0.000 2.411 113 F HA 0.906 5.432 4.527 -0.000 0.000 0.324 113 F C -2.154 173.745 175.800 0.165 0.000 1.086 113 F CA -3.133 54.944 58.000 0.127 0.000 1.028 113 F CB 0.183 39.219 39.000 0.062 0.000 1.284 113 F HN 0.188 nan 8.300 nan 0.000 0.501 114 P HA 0.375 nan 4.420 nan 0.000 0.268 114 P C -0.678 176.692 177.300 0.116 0.000 1.205 114 P CA 0.349 63.532 63.100 0.138 0.000 0.771 114 P CB 0.497 32.263 31.700 0.109 0.000 0.858 115 I N 4.868 125.510 120.570 0.121 0.000 2.304 115 I HA 0.240 4.410 4.170 -0.000 0.000 0.291 115 I C -2.106 174.047 176.117 0.060 0.000 1.018 115 I CA -2.551 58.815 61.300 0.109 0.000 1.260 115 I CB 1.232 39.321 38.000 0.148 0.000 1.390 115 I HN 0.125 nan 8.210 nan 0.000 0.475 116 P HA -0.036 nan 4.420 nan 0.000 0.268 116 P C 1.132 178.376 177.300 -0.093 0.000 1.204 116 P CA -0.250 62.860 63.100 0.016 0.000 0.768 116 P CB 0.749 32.510 31.700 0.102 0.000 0.842 117 V N 0.689 120.464 119.914 -0.231 0.000 2.469 117 V HA -0.269 3.851 4.120 -0.000 0.000 0.251 117 V C 2.310 178.077 176.094 -0.545 0.000 1.064 117 V CA 2.225 64.219 62.300 -0.510 0.000 1.066 117 V CB -2.293 29.082 31.823 -0.747 0.000 0.667 117 V HN 0.483 nan 8.190 nan 0.000 0.461 118 E N 0.413 120.398 120.200 -0.359 0.000 2.147 118 E HA -0.301 4.049 4.350 -0.000 0.000 0.199 118 E C 1.912 178.257 176.600 -0.425 0.000 1.005 118 E CA 2.133 58.310 56.400 -0.372 0.000 0.810 118 E CB -1.055 28.349 29.700 -0.494 0.000 0.736 118 E HN 0.955 nan 8.360 nan 0.000 0.460 119 H N -1.721 117.302 119.070 -0.078 0.000 2.542 119 H HA 0.475 5.031 4.556 -0.000 0.000 0.283 119 H C 2.299 177.601 175.328 -0.042 0.000 1.059 119 H CA 0.582 56.604 56.048 -0.043 0.000 1.162 119 H CB -0.114 29.631 29.762 -0.028 0.000 1.539 119 H HN 0.433 nan 8.280 nan 0.000 0.543 120 L N 0.851 122.063 121.223 -0.018 0.000 2.005 120 L HA -0.104 4.235 4.340 -0.000 0.000 0.207 120 L C 2.677 179.579 176.870 0.053 0.000 1.072 120 L CA 2.819 57.664 54.840 0.007 0.000 0.744 120 L CB -1.790 40.207 42.059 -0.103 0.000 0.895 120 L HN 0.489 nan 8.230 nan 0.000 0.433 121 E N 0.144 120.372 120.200 0.046 0.000 2.097 121 E HA -0.260 4.089 4.350 -0.000 0.000 0.196 121 E C 2.202 178.829 176.600 0.044 0.000 1.000 121 E CA 3.291 59.726 56.400 0.058 0.000 0.804 121 E CB -1.388 28.346 29.700 0.057 0.000 0.740 121 E HN 1.037 nan 8.360 nan 0.000 0.454 122 E N -0.124 120.104 120.200 0.046 0.000 2.047 122 E HA -0.012 4.338 4.350 -0.000 0.000 0.191 122 E C 2.290 178.887 176.600 -0.005 0.000 0.987 122 E CA 2.221 58.639 56.400 0.030 0.000 0.799 122 E CB -1.246 28.487 29.700 0.055 0.000 0.752 122 E HN 0.900 nan 8.360 nan 0.000 0.449 123 E N 0.726 120.926 120.200 0.000 0.000 2.153 123 E HA -0.053 4.297 4.350 -0.000 0.000 0.194 123 E C 2.063 178.576 176.600 -0.145 0.000 0.988 123 E CA 1.180 57.543 56.400 -0.060 0.000 0.811 123 E CB -0.514 29.178 29.700 -0.013 0.000 0.746 123 E HN 0.551 nan 8.360 nan 0.000 0.466 124 I N 0.769 121.306 120.570 -0.056 0.000 2.179 124 I HA -0.209 3.961 4.170 -0.000 0.000 0.242 124 I C 3.196 179.265 176.117 -0.079 0.000 1.088 124 I CA 1.800 63.079 61.300 -0.035 0.000 1.357 124 I CB -1.529 36.537 38.000 0.110 0.000 1.051 124 I HN 0.523 nan 8.210 nan 0.000 0.409 125 R N 1.138 121.612 120.500 -0.043 0.000 2.083 125 R HA -0.162 4.178 4.340 -0.000 0.000 0.237 125 R C 2.444 178.691 176.300 -0.088 0.000 1.137 125 R CA 2.286 58.362 56.100 -0.039 0.000 0.951 125 R CB -2.098 28.192 30.300 -0.016 0.000 0.851 125 R HN 0.424 nan 8.270 nan 0.000 0.434 126 I N 1.586 122.085 120.570 -0.119 0.000 2.208 126 I HA -0.014 4.156 4.170 -0.000 0.000 0.245 126 I C 1.940 177.930 176.117 -0.212 0.000 1.097 126 I CA 1.713 62.930 61.300 -0.140 0.000 1.363 126 I CB -0.814 37.105 38.000 -0.134 0.000 1.051 126 I HN 0.582 nan 8.210 nan 0.000 0.413 134 Q N -0.045 119.769 119.800 0.022 0.000 2.331 134 Q HA 0.401 4.741 4.340 -0.000 0.000 0.203 134 Q C 2.013 178.062 176.000 0.081 0.000 0.944 134 Q CA 1.515 57.327 55.803 0.014 0.000 0.892 134 Q CB -0.593 28.108 28.738 -0.061 0.000 0.983 134 Q HN 0.599 nan 8.270 nan 0.000 0.482 135 F N 1.483 121.462 119.950 0.048 0.000 2.120 135 F HA -0.218 4.309 4.527 -0.000 0.000 0.300 135 F C 2.779 178.638 175.800 0.098 0.000 1.095 135 F CA 1.753 59.797 58.000 0.074 0.000 1.249 135 F CB -0.609 38.433 39.000 0.070 0.000 0.995 135 F HN 0.256 nan 8.300 nan 0.000 0.480 136 R N -0.192 120.482 120.500 0.291 0.000 2.103 136 R HA -0.210 4.129 4.340 -0.000 0.000 0.242 136 R C 2.455 178.873 176.300 0.197 0.000 1.142 136 R CA 1.458 57.685 56.100 0.212 0.000 0.960 136 R CB -1.829 28.561 30.300 0.151 0.000 0.858 136 R HN 0.614 nan 8.270 nan 0.000 0.439 137 E N 0.800 121.098 120.200 0.163 0.000 2.072 137 E HA -0.210 4.139 4.350 -0.000 0.000 0.191 137 E C 1.870 178.553 176.600 0.139 0.000 0.985 137 E CA 1.559 58.042 56.400 0.138 0.000 0.801 137 E CB -0.570 29.206 29.700 0.127 0.000 0.750 137 E HN 0.792 nan 8.360 nan 0.000 0.452 138 E N -1.192 119.091 120.200 0.137 0.000 2.038 138 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 138 E C 1.984 178.502 176.600 -0.137 0.000 1.000 138 E CA 1.419 57.739 56.400 -0.134 0.000 0.803 138 E CB -0.345 29.250 29.700 -0.175 0.000 0.750 138 E HN 0.538 nan 8.360 nan 0.000 0.448 139 F N 2.090 121.850 119.950 -0.317 0.000 2.161 139 F HA -0.164 4.362 4.527 -0.001 0.000 0.300 139 F C 1.686 177.376 175.800 -0.184 0.000 1.089 139 F CA 1.527 59.239 58.000 -0.480 0.000 1.282 139 F CB -0.229 38.522 39.000 -0.414 0.000 1.010 139 F HN 0.052 nan 8.300 nan 0.000 0.485 140 N N -0.264 118.358 118.700 -0.129 0.000 2.515 140 N HA -0.052 4.688 4.740 -0.000 0.000 0.185 140 N C 1.435 176.886 175.510 -0.099 0.000 1.109 140 N CA 0.982 53.937 53.050 -0.157 0.000 0.903 140 N CB -0.177 38.312 38.487 0.003 0.000 0.969 140 N HN 0.215 nan 8.380 nan 0.000 0.450 141 S N -0.086 115.605 115.700 -0.016 0.000 2.535 141 S HA 0.238 4.708 4.470 -0.000 0.000 0.214 141 S C 0.765 175.472 174.600 0.179 0.000 0.980 141 S CA -0.327 57.946 58.200 0.122 0.000 0.907 141 S CB 0.580 63.919 63.200 0.231 0.000 0.790 141 S HN 0.200 nan 8.310 nan 0.000 0.510 142 L N 3.183 124.399 121.223 -0.012 0.000 2.485 142 L HA 0.193 4.532 4.340 -0.000 0.000 0.275 142 L C -2.294 174.474 176.870 -0.170 0.000 1.207 142 L CA -1.537 53.181 54.840 -0.204 0.000 0.855 142 L CB -0.196 41.627 42.059 -0.393 0.000 1.114 142 L HN 0.000 nan 8.230 nan 0.000 0.485 143 P HA 0.196 nan 4.420 nan 0.000 0.281 143 P C -0.499 176.720 177.300 -0.135 0.000 1.252 143 P CA -0.295 62.742 63.100 -0.105 0.000 0.778 143 P CB 0.830 32.482 31.700 -0.080 0.000 0.895 144 S N 2.046 117.687 115.700 -0.100 0.000 2.510 144 S HA 0.386 4.856 4.470 -0.000 0.000 0.279 144 S C 1.284 175.803 174.600 -0.136 0.000 1.284 144 S CA -0.209 57.927 58.200 -0.107 0.000 1.059 144 S CB -0.220 62.989 63.200 0.015 0.000 0.901 144 S HN 0.560 nan 8.310 nan 0.000 0.491 145 G N 1.631 110.287 108.800 -0.240 0.000 3.325 145 G HA2 0.239 4.199 3.960 -0.000 0.000 0.242 145 G HA3 0.239 4.199 3.960 -0.000 0.000 0.242 145 G C 0.707 175.538 174.900 -0.115 0.000 1.120 145 G CA -0.030 44.969 45.100 -0.168 0.000 1.778 145 G HN 0.870 nan 8.290 nan 0.000 0.610 146 H N -0.061 119.068 119.070 0.098 0.000 2.516 146 H HA 0.147 4.702 4.556 -0.001 0.000 0.284 146 H C 2.350 177.771 175.328 0.156 0.000 0.999 146 H CA 0.029 56.162 56.048 0.142 0.000 1.303 146 H CB 0.440 30.172 29.762 -0.051 0.000 1.452 146 H HN 0.414 nan 8.280 nan 0.000 0.530 147 I N 1.323 122.003 120.570 0.184 0.000 2.058 147 I HA -0.238 3.931 4.170 -0.000 0.000 0.235 147 I C 0.852 177.037 176.117 0.114 0.000 1.053 147 I CA 1.169 62.541 61.300 0.119 0.000 1.313 147 I CB -0.193 37.846 38.000 0.065 0.000 1.039 147 I HN 0.016 nan 8.210 nan 0.000 0.396 148 Q N 1.005 120.849 119.800 0.074 0.000 2.323 148 Q HA 0.564 4.903 4.340 -0.000 0.000 0.257 148 Q C 0.049 176.078 176.000 0.049 0.000 1.022 148 Q CA 0.178 56.005 55.803 0.039 0.000 0.919 148 Q CB 0.503 29.236 28.738 -0.009 0.000 1.220 148 Q HN 0.619 nan 8.270 nan 0.000 0.427 149 G N 1.058 109.892 108.800 0.056 0.000 2.368 149 G HA2 0.269 4.228 3.960 -0.000 0.000 0.303 149 G HA3 0.269 4.228 3.960 -0.000 0.000 0.303 149 G C -0.817 174.064 174.900 -0.032 0.000 1.590 149 G CA -0.801 44.274 45.100 -0.042 0.000 0.938 149 G HN 0.529 nan 8.290 nan 0.000 0.675 150 T N 0.184 114.589 114.554 -0.247 0.000 2.895 150 T HA 0.665 5.015 4.350 -0.000 0.000 0.283 150 T C -0.414 174.013 174.700 -0.454 0.000 1.014 150 T CA -0.060 61.960 62.100 -0.132 0.000 1.037 150 T CB 0.810 69.643 68.868 -0.058 0.000 1.006 150 T HN 0.403 nan 8.240 nan 0.000 0.468 151 F N 0.206 120.187 119.950 0.052 0.000 2.811 151 F HA 0.338 4.864 4.527 -0.001 0.000 0.342 151 F C 1.692 177.506 175.800 0.023 0.000 1.203 151 F CA -0.550 57.482 58.000 0.053 0.000 1.173 151 F CB -0.538 38.500 39.000 0.062 0.000 1.094 151 F HN 0.703 nan 8.300 nan 0.000 0.510 152 E N 1.009 121.281 120.200 0.120 0.000 2.031 152 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 152 E C 2.423 179.035 176.600 0.020 0.000 0.994 152 E CA 2.091 58.529 56.400 0.064 0.000 0.800 152 E CB -0.936 28.787 29.700 0.038 0.000 0.752 152 E HN 0.349 nan 8.360 nan 0.000 0.447 153 L N 0.347 121.576 121.223 0.010 0.000 2.093 153 L HA 0.541 4.880 4.340 -0.000 0.000 0.208 153 L C 3.025 179.778 176.870 -0.195 0.000 1.085 153 L CA 2.430 57.243 54.840 -0.045 0.000 0.755 153 L CB -1.559 40.518 42.059 0.031 0.000 0.904 153 L HN 0.723 nan 8.230 nan 0.000 0.435 154 A N -0.192 122.573 122.820 -0.092 0.000 1.969 154 A HA -0.180 4.139 4.320 -0.000 0.000 0.218 154 A C 2.015 179.487 177.584 -0.187 0.000 1.169 154 A CA 1.711 53.637 52.037 -0.185 0.000 0.635 154 A CB -0.680 18.426 19.000 0.178 0.000 0.810 154 A HN 0.755 nan 8.150 nan 0.000 0.445 155 N N -0.484 118.172 118.700 -0.073 0.000 2.336 155 N HA 0.099 4.838 4.740 -0.000 0.000 0.189 155 N C 0.101 175.562 175.510 -0.082 0.000 1.113 155 N CA 0.031 53.048 53.050 -0.056 0.000 0.858 155 N CB 0.127 38.612 38.487 -0.002 0.000 0.970 155 N HN 0.347 nan 8.380 nan 0.000 0.471 156 K N 1.047 121.373 120.400 -0.124 0.000 2.524 156 K HA -0.068 4.252 4.320 -0.000 0.000 0.279 156 K C 1.479 178.022 176.600 -0.094 0.000 0.993 156 K CA 0.496 56.721 56.287 -0.103 0.000 1.030 156 K CB 0.475 32.902 32.500 -0.122 0.000 0.891 156 K HN 0.319 nan 8.250 nan 0.000 0.488 157 E N 2.960 123.124 120.200 -0.060 0.000 2.049 157 E HA -0.306 4.043 4.350 -0.000 0.000 0.198 157 E C 2.127 178.696 176.600 -0.051 0.000 1.007 157 E CA 2.367 58.738 56.400 -0.047 0.000 0.809 157 E CB -1.222 28.459 29.700 -0.032 0.000 0.749 157 E HN 0.808 nan 8.360 nan 0.000 0.450 158 E N 1.285 121.454 120.200 -0.050 0.000 2.114 158 E HA -0.283 4.066 4.350 -0.000 0.000 0.199 158 E C 1.961 178.529 176.600 -0.054 0.000 1.008 158 E CA 1.735 58.110 56.400 -0.041 0.000 0.810 158 E CB -0.852 28.829 29.700 -0.032 0.000 0.739 158 E HN 0.583 nan 8.360 nan 0.000 0.456 159 N N -0.803 117.828 118.700 -0.114 0.000 2.398 159 N HA 0.056 4.796 4.740 -0.000 0.000 0.188 159 N C 2.024 177.468 175.510 -0.109 0.000 1.122 159 N CA 1.024 53.974 53.050 -0.167 0.000 0.866 159 N CB 0.005 38.182 38.487 -0.517 0.000 0.970 159 N HN 0.591 nan 8.380 nan 0.000 0.462 160 R N 1.334 121.787 120.500 -0.078 0.000 2.096 160 R HA -0.124 4.216 4.340 -0.000 0.000 0.240 160 R C 2.083 178.370 176.300 -0.021 0.000 1.139 160 R CA 2.106 58.178 56.100 -0.047 0.000 0.952 160 R CB -1.912 28.364 30.300 -0.039 0.000 0.854 160 R HN 0.514 nan 8.270 nan 0.000 0.436 161 E N 1.655 121.844 120.200 -0.018 0.000 2.478 161 E HA -0.063 4.287 4.350 -0.000 0.000 0.198 161 E C 1.893 178.491 176.600 -0.003 0.000 1.046 161 E CA 1.162 57.552 56.400 -0.016 0.000 0.870 161 E CB -0.403 29.287 29.700 -0.018 0.000 0.818 161 E HN 0.803 nan 8.360 nan 0.000 0.527 162 K N 0.178 120.599 120.400 0.036 0.000 2.379 162 K HA 0.095 4.414 4.320 -0.000 0.000 0.194 162 K C -0.077 176.578 176.600 0.091 0.000 1.031 162 K CA -0.175 56.161 56.287 0.082 0.000 1.037 162 K CB 0.381 33.000 32.500 0.199 0.000 0.824 162 K HN 0.152 nan 8.250 nan 0.000 0.516 163 N N 1.383 120.128 118.700 0.075 0.000 2.430 163 N HA 0.107 4.846 4.740 -0.000 0.000 0.292 163 N C 0.394 175.881 175.510 -0.039 0.000 1.051 163 N CA -0.096 52.991 53.050 0.062 0.000 0.917 163 N CB 1.956 40.505 38.487 0.103 0.000 1.164 163 N HN 0.016 nan 8.380 nan 0.000 0.484 164 R N 1.695 122.136 120.500 -0.098 0.000 2.062 164 R HA 0.040 4.380 4.340 -0.000 0.000 0.226 164 R C -0.308 175.701 176.300 -0.485 0.000 1.125 164 R CA 1.157 57.062 56.100 -0.325 0.000 0.966 164 R CB 0.192 30.247 30.300 -0.409 0.000 0.861 164 R HN 0.517 nan 8.270 nan 0.000 0.433 165 Y N 0.213 120.518 120.300 0.008 0.000 2.328 165 Y HA 0.330 4.880 4.550 -0.000 0.000 0.336 165 Y C -1.699 174.211 175.900 0.017 0.000 0.960 165 Y CA -2.817 55.287 58.100 0.008 0.000 1.134 165 Y CB 1.953 40.417 38.460 0.006 0.000 1.166 165 Y HN 0.100 nan 8.280 nan 0.000 0.464 166 P HA -0.038 nan 4.420 nan 0.000 0.236 166 P C 0.174 177.513 177.300 0.064 0.000 1.177 166 P CA 1.051 64.195 63.100 0.073 0.000 0.773 166 P CB 0.613 32.332 31.700 0.033 0.000 0.878 167 N N 0.013 118.761 118.700 0.080 0.000 2.392 167 N HA 0.093 4.833 4.740 -0.000 0.000 0.177 167 N C 0.668 176.225 175.510 0.078 0.000 1.066 167 N CA 0.387 53.458 53.050 0.035 0.000 0.895 167 N CB 0.502 38.996 38.487 0.013 0.000 0.988 167 N HN 0.291 nan 8.380 nan 0.000 0.457 168 I N 2.216 122.860 120.570 0.124 0.000 2.361 168 I HA 0.288 4.457 4.170 -0.000 0.000 0.282 168 I C -0.723 175.494 176.117 0.167 0.000 1.075 168 I CA -0.129 61.251 61.300 0.133 0.000 1.205 168 I CB 0.499 38.557 38.000 0.097 0.000 1.406 168 I HN -0.272 nan 8.210 nan 0.000 0.481 169 L N 7.391 128.739 121.223 0.209 0.000 2.388 169 L HA 0.634 4.973 4.340 -0.000 0.000 0.264 169 L C -2.486 174.576 176.870 0.319 0.000 0.998 169 L CA -1.966 53.035 54.840 0.268 0.000 0.817 169 L CB 2.562 44.801 42.059 0.301 0.000 1.338 169 L HN 0.245 nan 8.230 nan 0.000 0.414 170 P HA 0.138 nan 4.420 nan 0.000 0.279 170 P C -1.259 176.092 177.300 0.086 0.000 1.239 170 P CA -0.495 62.694 63.100 0.148 0.000 0.789 170 P CB 0.690 32.432 31.700 0.070 0.000 0.933 171 N N 0.334 118.953 118.700 -0.136 0.000 2.399 171 N HA 0.056 4.796 4.740 -0.000 0.000 0.250 171 N C 1.037 176.406 175.510 -0.235 0.000 1.272 171 N CA 0.467 53.180 53.050 -0.561 0.000 0.928 171 N CB -0.993 37.102 38.487 -0.654 0.000 1.158 171 N HN 0.426 nan 8.380 nan 0.000 0.463 172 D N -1.393 118.862 120.400 -0.240 0.000 2.224 172 D HA -0.165 4.475 4.640 -0.000 0.000 0.205 172 D C 1.568 177.860 176.300 -0.013 0.000 0.965 172 D CA 1.541 55.499 54.000 -0.070 0.000 0.852 172 D CB -0.858 39.911 40.800 -0.052 0.000 0.947 172 D HN 0.834 nan 8.370 nan 0.000 0.494 173 H N 0.022 119.033 119.070 -0.098 0.000 2.363 173 H HA 0.083 4.639 4.556 -0.000 0.000 0.301 173 H C 1.630 176.959 175.328 0.002 0.000 1.074 173 H CA 1.984 58.003 56.048 -0.047 0.000 1.354 173 H CB 0.421 30.145 29.762 -0.063 0.000 1.397 173 H HN 0.308 nan 8.280 nan 0.000 0.516 174 S N 0.593 116.339 115.700 0.077 0.000 2.557 174 S HA 0.143 4.612 4.470 -0.000 0.000 0.223 174 S C 0.631 175.276 174.600 0.075 0.000 0.969 174 S CA -0.477 57.790 58.200 0.111 0.000 0.927 174 S CB 0.177 63.463 63.200 0.143 0.000 0.806 174 S HN 0.276 nan 8.310 nan 0.000 0.489 175 R N 2.240 122.744 120.500 0.006 0.000 2.585 175 R HA 0.089 4.428 4.340 -0.000 0.000 0.275 175 R C -0.599 175.632 176.300 -0.114 0.000 1.018 175 R CA 0.210 56.277 56.100 -0.055 0.000 1.072 175 R CB 0.276 30.572 30.300 -0.006 0.000 0.953 175 R HN 0.049 nan 8.270 nan 0.000 0.419 176 V N 7.138 126.866 119.914 -0.310 0.000 2.521 176 V HA 0.075 4.195 4.120 -0.000 0.000 0.286 176 V C 0.593 176.580 176.094 -0.178 0.000 1.034 176 V CA 0.141 62.202 62.300 -0.398 0.000 1.045 176 V CB 0.669 32.173 31.823 -0.532 0.000 0.974 176 V HN 0.544 nan 8.190 nan 0.000 0.480 177 I N 4.816 125.351 120.570 -0.059 0.000 2.355 177 I HA 0.527 4.697 4.170 -0.000 0.000 0.288 177 I C -0.295 175.819 176.117 -0.006 0.000 0.999 177 I CA -0.617 60.674 61.300 -0.015 0.000 1.163 177 I CB 1.085 39.101 38.000 0.026 0.000 1.316 177 I HN 0.311 nan 8.210 nan 0.000 0.454 178 L N 4.463 125.677 121.223 -0.014 0.000 2.436 178 L HA 0.412 4.752 4.340 -0.000 0.000 0.265 178 L C 1.337 178.226 176.870 0.032 0.000 1.168 178 L CA -0.038 54.807 54.840 0.007 0.000 0.815 178 L CB 0.831 42.892 42.059 0.004 0.000 1.109 178 L HN 0.885 nan 8.230 nan 0.000 0.462 179 S N 1.085 116.811 115.700 0.044 0.000 2.560 179 S HA 0.093 4.562 4.470 -0.000 0.000 0.284 179 S C 0.151 174.779 174.600 0.046 0.000 1.327 179 S CA -0.220 58.008 58.200 0.047 0.000 1.055 179 S CB 0.178 63.413 63.200 0.059 0.000 0.868 179 S HN 0.574 nan 8.310 nan 0.000 0.506 180 Q N 0.919 120.743 119.800 0.040 0.000 2.263 180 Q HA 0.514 4.854 4.340 -0.000 0.000 0.270 180 Q C -0.014 176.009 176.000 0.038 0.000 1.104 180 Q CA 0.360 56.186 55.803 0.038 0.000 0.909 180 Q CB -0.225 28.533 28.738 0.032 0.000 1.214 180 Q HN 0.847 nan 8.270 nan 0.000 0.400 184 I N 1.807 122.388 120.570 0.019 0.000 2.342 184 I HA 0.803 4.973 4.170 -0.000 0.000 0.291 184 I C -1.584 174.547 176.117 0.022 0.000 1.010 184 I CA -2.593 58.719 61.300 0.020 0.000 1.308 184 I CB 0.381 38.396 38.000 0.024 0.000 1.400 184 I HN 0.059 nan 8.210 nan 0.000 0.488 185 P HA 0.332 nan 4.420 nan 0.000 0.271 185 P C 0.698 178.010 177.300 0.021 0.000 1.218 185 P CA 1.066 64.175 63.100 0.016 0.000 0.780 185 P CB 0.655 32.360 31.700 0.009 0.000 0.901 186 C N 0.664 119.978 119.300 0.022 0.000 4.356 186 C HA -0.092 4.367 4.460 -0.000 0.000 0.296 186 C C 1.830 176.856 174.990 0.060 0.000 1.424 186 C CA 1.107 60.143 59.018 0.030 0.000 2.000 186 C CB -3.055 24.687 27.740 0.005 0.000 1.262 186 C HN 0.731 nan 8.230 nan 0.000 0.789 187 S N -0.813 114.922 115.700 0.057 0.000 2.603 187 S HA 0.402 4.872 4.470 -0.000 0.000 0.220 187 S C 1.468 176.114 174.600 0.077 0.000 0.967 187 S CA 1.834 60.074 58.200 0.066 0.000 0.920 187 S CB -0.598 62.632 63.200 0.049 0.000 0.773 187 S HN 1.873 nan 8.310 nan 0.000 0.529 188 D N -0.488 119.966 120.400 0.090 0.000 2.269 188 D HA 0.157 4.797 4.640 -0.000 0.000 0.208 188 D C 0.505 176.873 176.300 0.114 0.000 0.963 188 D CA 0.442 54.496 54.000 0.089 0.000 0.864 188 D CB -0.324 40.528 40.800 0.087 0.000 0.936 188 D HN 0.671 nan 8.370 nan 0.000 0.505 189 Y N -0.555 119.746 120.300 0.001 0.000 2.387 189 Y HA 0.600 5.149 4.550 -0.001 0.000 0.336 189 Y C -0.613 175.282 175.900 -0.010 0.000 1.067 189 Y CA -1.419 56.678 58.100 -0.005 0.000 1.114 189 Y CB 1.345 39.805 38.460 -0.000 0.000 1.208 189 Y HN 0.186 nan 8.280 nan 0.000 0.458 190 I N 5.210 125.280 120.570 -0.834 0.000 2.827 190 I HA 0.279 4.449 4.170 -0.000 0.000 0.298 190 I C -1.333 174.189 176.117 -0.992 0.000 1.235 190 I CA -0.916 59.946 61.300 -0.730 0.000 1.021 190 I CB 1.819 39.622 38.000 -0.328 0.000 1.259 190 I HN 0.682 nan 8.210 nan 0.000 0.427 191 N N 5.882 124.221 118.700 -0.602 0.000 2.739 191 N HA 0.498 5.237 4.740 -0.000 0.000 0.266 191 N C -1.175 174.215 175.510 -0.199 0.000 1.168 191 N CA 0.272 53.136 53.050 -0.311 0.000 1.055 191 N CB 0.119 38.570 38.487 -0.060 0.000 1.393 191 N HN 0.664 nan 8.380 nan 0.000 0.514 192 A N 1.165 123.844 122.820 -0.234 0.000 2.604 192 A HA 0.691 5.011 4.320 -0.000 0.000 0.295 192 A C -1.137 176.319 177.584 -0.213 0.000 1.067 192 A CA -0.656 51.268 52.037 -0.187 0.000 0.683 192 A CB 0.999 19.869 19.000 -0.216 0.000 1.281 192 A HN 0.382 nan 8.150 nan 0.000 0.407 193 S N -0.040 115.553 115.700 -0.180 0.000 2.546 193 S HA 0.697 5.167 4.470 -0.000 0.000 0.274 193 S C -1.243 173.262 174.600 -0.157 0.000 1.121 193 S CA -0.649 57.442 58.200 -0.180 0.000 0.887 193 S CB 0.708 63.873 63.200 -0.058 0.000 1.094 193 S HN 0.545 nan 8.310 nan 0.000 0.474 194 Y N 1.338 121.636 120.300 -0.003 0.000 2.511 194 Y HA 0.442 4.992 4.550 -0.001 0.000 0.332 194 Y C 0.463 176.389 175.900 0.044 0.000 1.177 194 Y CA -0.266 57.847 58.100 0.021 0.000 1.422 194 Y CB 0.248 38.707 38.460 -0.001 0.000 1.271 194 Y HN 0.452 nan 8.280 nan 0.000 0.550 195 I N 3.655 124.383 120.570 0.264 0.000 2.533 195 I HA 0.206 4.376 4.170 -0.000 0.000 0.290 195 I C -0.948 175.338 176.117 0.282 0.000 1.056 195 I CA -1.051 60.373 61.300 0.207 0.000 1.057 195 I CB 2.007 40.108 38.000 0.167 0.000 1.240 195 I HN 0.507 nan 8.210 nan 0.000 0.423 196 D N 3.884 124.403 120.400 0.199 0.000 2.313 196 D HA 0.433 5.073 4.640 -0.000 0.000 0.247 196 D C 0.373 176.920 176.300 0.412 0.000 1.094 196 D CA 0.080 54.213 54.000 0.222 0.000 0.925 196 D CB 1.661 42.536 40.800 0.126 0.000 1.188 196 D HN 0.693 nan 8.370 nan 0.000 0.430 197 G N -0.618 108.406 108.800 0.372 0.000 2.613 197 G HA2 0.289 4.248 3.960 -0.000 0.000 0.303 197 G HA3 0.289 4.248 3.960 -0.000 0.000 0.303 197 G C -1.061 174.050 174.900 0.351 0.000 1.312 197 G CA -0.641 44.732 45.100 0.455 0.000 1.036 197 G HN 0.419 nan 8.290 nan 0.000 0.513 198 Y N 0.679 121.036 120.300 0.096 0.000 2.650 198 Y HA 0.311 4.861 4.550 -0.001 0.000 0.331 198 Y C 1.212 177.139 175.900 0.045 0.000 1.165 198 Y CA 0.843 58.955 58.100 0.019 0.000 1.473 198 Y CB -0.168 38.222 38.460 -0.117 0.000 1.224 198 Y HN 1.103 nan 8.280 nan 0.000 0.533 199 K N 3.660 123.803 120.400 -0.427 0.000 3.177 199 K HA -0.281 4.039 4.320 -0.000 0.000 0.266 199 K C -0.240 176.296 176.600 -0.107 0.000 0.937 199 K CA 1.594 57.690 56.287 -0.318 0.000 0.702 199 K CB -2.133 30.090 32.500 -0.461 0.000 1.365 199 K HN 0.882 nan 8.250 nan 0.000 0.466 200 E N -1.211 118.969 120.200 -0.033 0.000 2.466 200 E HA 0.482 4.832 4.350 -0.000 0.000 0.308 200 E C -0.091 176.508 176.600 -0.002 0.000 0.933 200 E CA 0.144 56.531 56.400 -0.022 0.000 0.800 200 E CB 0.876 30.560 29.700 -0.026 0.000 1.434 200 E HN 0.783 nan 8.360 nan 0.000 0.389 201 K N 2.884 123.270 120.400 -0.023 0.000 2.484 201 K HA 0.063 4.383 4.320 -0.000 0.000 0.280 201 K C 0.374 176.952 176.600 -0.037 0.000 1.013 201 K CA 0.583 56.856 56.287 -0.023 0.000 1.029 201 K CB -0.354 32.116 32.500 -0.051 0.000 0.902 201 K HN 0.737 nan 8.250 nan 0.000 0.481 202 N N -0.536 118.164 118.700 0.000 0.000 2.740 202 N HA -0.205 4.535 4.740 -0.000 0.000 0.248 202 N C 1.179 176.692 175.510 0.006 0.000 1.062 202 N CA 1.573 54.635 53.050 0.021 0.000 0.704 202 N CB -1.860 36.537 38.487 -0.150 0.000 0.968 202 N HN 0.986 nan 8.380 nan 0.000 0.547 203 K N -0.927 119.456 120.400 -0.029 0.000 2.148 203 K HA 0.109 4.428 4.320 -0.000 0.000 0.204 203 K C 0.590 176.914 176.600 -0.459 0.000 1.050 203 K CA 1.470 57.573 56.287 -0.307 0.000 0.942 203 K CB -0.188 32.030 32.500 -0.470 0.000 0.724 203 K HN 0.363 nan 8.250 nan 0.000 0.446 204 F N -1.603 118.413 119.950 0.110 0.000 2.598 204 F HA 0.630 5.157 4.527 -0.001 0.000 0.327 204 F C -0.027 175.831 175.800 0.096 0.000 1.057 204 F CA -1.535 56.527 58.000 0.104 0.000 0.957 204 F CB 2.004 41.077 39.000 0.122 0.000 1.278 204 F HN -0.165 nan 8.300 nan 0.000 0.484 205 I N 1.776 122.494 120.570 0.247 0.000 2.410 205 I HA 0.451 4.621 4.170 -0.000 0.000 0.286 205 I C -0.630 175.531 176.117 0.072 0.000 1.009 205 I CA -0.788 60.556 61.300 0.072 0.000 1.111 205 I CB 1.520 39.478 38.000 -0.068 0.000 1.262 205 I HN 0.677 nan 8.210 nan 0.000 0.443 206 A N 6.019 128.862 122.820 0.039 0.000 2.343 206 A HA 0.779 5.099 4.320 -0.000 0.000 0.305 206 A C 0.016 177.592 177.584 -0.014 0.000 1.308 206 A CA -0.208 51.837 52.037 0.013 0.000 0.949 206 A CB 0.172 19.171 19.000 -0.001 0.000 1.148 206 A HN 0.753 nan 8.150 nan 0.000 0.545 207 A N 2.835 125.663 122.820 0.014 0.000 2.374 207 A HA 0.650 4.970 4.320 -0.000 0.000 0.317 207 A C -0.025 177.568 177.584 0.015 0.000 1.094 207 A CA -0.726 51.312 52.037 0.002 0.000 0.765 207 A CB 0.708 19.733 19.000 0.041 0.000 1.268 207 A HN 1.012 nan 8.150 nan 0.000 0.438 208 Q N 1.398 121.183 119.800 -0.025 0.000 2.373 208 Q HA 0.455 4.795 4.340 -0.000 0.000 0.255 208 Q C 0.409 176.319 176.000 -0.149 0.000 0.980 208 Q CA -0.021 55.766 55.803 -0.028 0.000 0.882 208 Q CB 0.759 29.495 28.738 -0.002 0.000 1.249 208 Q HN 0.873 nan 8.270 nan 0.000 0.438 209 G N 3.797 112.517 108.800 -0.132 0.000 2.313 209 G HA2 0.236 4.196 3.960 -0.000 0.000 0.250 209 G HA3 0.236 4.196 3.960 -0.000 0.000 0.250 209 G C -2.202 172.452 174.900 -0.409 0.000 1.281 209 G CA -0.913 43.972 45.100 -0.358 0.000 0.917 209 G HN 0.642 nan 8.290 nan 0.000 0.501 210 P HA 0.172 nan 4.420 nan 0.000 0.270 210 P C -0.316 176.830 177.300 -0.257 0.000 1.223 210 P CA -0.051 62.745 63.100 -0.506 0.000 0.785 210 P CB 1.081 32.294 31.700 -0.812 0.000 0.923 211 K N -0.866 119.416 120.400 -0.197 0.000 2.295 211 K HA 0.516 4.836 4.320 -0.000 0.000 0.239 211 K C 1.531 177.937 176.600 -0.324 0.000 0.991 211 K CA -0.858 55.319 56.287 -0.184 0.000 0.845 211 K CB -0.080 32.328 32.500 -0.153 0.000 1.197 211 K HN 0.220 nan 8.250 nan 0.000 0.441 212 Q N 1.451 120.877 119.800 -0.624 0.000 2.165 212 Q HA -0.291 4.049 4.340 -0.000 0.000 0.215 212 Q C 1.681 177.521 176.000 -0.267 0.000 1.010 212 Q CA 2.932 58.312 55.803 -0.705 0.000 0.896 212 Q CB -1.386 27.046 28.738 -0.511 0.000 0.956 212 Q HN 0.837 nan 8.270 nan 0.000 0.413 213 E N -0.149 119.946 120.200 -0.174 0.000 2.418 213 E HA -0.008 4.341 4.350 -0.000 0.000 0.197 213 E C 1.694 178.271 176.600 -0.038 0.000 1.026 213 E CA 1.240 57.594 56.400 -0.077 0.000 0.862 213 E CB 0.211 29.874 29.700 -0.060 0.000 0.799 213 E HN 0.850 nan 8.360 nan 0.000 0.518 214 T N -3.482 111.034 114.554 -0.062 0.000 3.145 214 T HA 0.198 4.548 4.350 -0.000 0.000 0.281 214 T C 1.497 176.190 174.700 -0.011 0.000 1.003 214 T CA -0.314 61.770 62.100 -0.027 0.000 0.901 214 T CB 0.224 69.061 68.868 -0.051 0.000 1.112 214 T HN -0.091 nan 8.240 nan 0.000 0.535 215 V N 2.696 122.610 119.914 0.001 0.000 2.343 215 V HA -0.183 3.936 4.120 -0.000 0.000 0.247 215 V C 2.613 178.841 176.094 0.225 0.000 1.051 215 V CA 2.025 64.362 62.300 0.063 0.000 1.036 215 V CB -0.663 31.264 31.823 0.173 0.000 0.654 215 V HN 0.642 nan 8.190 nan 0.000 0.451 216 N N 0.312 119.170 118.700 0.263 0.000 2.106 216 N HA -0.170 4.569 4.740 -0.000 0.000 0.188 216 N C 1.718 177.369 175.510 0.235 0.000 1.029 216 N CA 1.564 54.807 53.050 0.322 0.000 0.848 216 N CB -0.352 38.285 38.487 0.250 0.000 1.007 216 N HN 0.706 nan 8.380 nan 0.000 0.423 217 D N 1.177 121.663 120.400 0.143 0.000 2.178 217 D HA -0.166 4.474 4.640 -0.000 0.000 0.201 217 D C 1.622 177.955 176.300 0.055 0.000 0.980 217 D CA 0.728 54.779 54.000 0.085 0.000 0.842 217 D CB -0.756 40.071 40.800 0.045 0.000 0.948 217 D HN 0.189 nan 8.370 nan 0.000 0.472 218 F N -0.646 119.226 119.950 -0.131 0.000 2.102 218 F HA 0.007 4.534 4.527 -0.001 0.000 0.298 218 F C 2.033 177.676 175.800 -0.261 0.000 1.105 218 F CA 1.500 59.315 58.000 -0.308 0.000 1.239 218 F CB -0.423 38.245 39.000 -0.554 0.000 0.991 218 F HN 0.303 nan 8.300 nan 0.000 0.474 219 W N 0.324 121.599 121.300 -0.042 0.000 2.402 219 W HA -0.023 4.636 4.660 -0.000 0.000 0.286 219 W C 2.707 179.218 176.519 -0.014 0.000 1.221 219 W CA 0.861 58.166 57.345 -0.067 0.000 1.257 219 W CB -0.336 29.146 29.460 0.037 0.000 1.120 219 W HN -0.165 nan 8.180 nan 0.000 0.551 220 R N 0.400 121.036 120.500 0.226 0.000 2.115 220 R HA -0.164 4.176 4.340 -0.000 0.000 0.230 220 R C 2.112 178.484 176.300 0.120 0.000 1.111 220 R CA 1.384 57.598 56.100 0.190 0.000 0.976 220 R CB -0.470 29.909 30.300 0.131 0.000 0.870 220 R HN 0.265 nan 8.270 nan 0.000 0.445 221 M N 0.177 119.754 119.600 -0.038 0.000 2.077 221 M HA -0.150 4.330 4.480 -0.000 0.000 0.261 221 M C 1.888 178.112 176.300 -0.127 0.000 1.070 221 M CA 1.581 56.802 55.300 -0.131 0.000 1.125 221 M CB 0.024 32.455 32.600 -0.282 0.000 1.339 221 M HN -0.007 nan 8.290 nan 0.000 0.409 222 V N 0.104 119.890 119.914 -0.214 0.000 2.392 222 V HA -0.331 3.789 4.120 -0.000 0.000 0.249 222 V C 2.118 178.275 176.094 0.104 0.000 1.059 222 V CA 2.205 64.439 62.300 -0.110 0.000 1.051 222 V CB -1.062 30.686 31.823 -0.124 0.000 0.658 222 V HN 0.747 nan 8.190 nan 0.000 0.455 223 W N 0.966 122.292 121.300 0.042 0.000 2.408 223 W HA -0.109 4.551 4.660 -0.000 0.000 0.311 223 W C 2.342 178.882 176.519 0.035 0.000 1.190 223 W CA 1.673 59.059 57.345 0.068 0.000 1.321 223 W CB -0.069 29.445 29.460 0.089 0.000 1.143 223 W HN 0.314 nan 8.180 nan 0.000 0.501 224 E N -0.200 120.079 120.200 0.131 0.000 2.204 224 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 224 E C 1.955 178.523 176.600 -0.054 0.000 0.989 224 E CA 0.881 57.300 56.400 0.031 0.000 0.824 224 E CB -0.109 29.648 29.700 0.094 0.000 0.756 224 E HN 0.218 nan 8.360 nan 0.000 0.477 225 Q N 0.133 119.902 119.800 -0.052 0.000 2.403 225 Q HA 0.035 4.374 4.340 -0.000 0.000 0.203 225 Q C 0.004 175.957 176.000 -0.079 0.000 0.932 225 Q CA 0.265 56.044 55.803 -0.040 0.000 0.945 225 Q CB 0.438 29.163 28.738 -0.021 0.000 1.045 225 Q HN 0.209 nan 8.270 nan 0.000 0.511 226 K N 0.027 120.333 120.400 -0.156 0.000 3.160 226 K HA -0.101 4.218 4.320 -0.000 0.000 0.280 226 K C -0.472 176.069 176.600 -0.098 0.000 1.154 226 K CA 0.337 56.516 56.287 -0.181 0.000 0.822 226 K CB -2.014 30.398 32.500 -0.147 0.000 1.239 226 K HN 0.030 nan 8.250 nan 0.000 0.489 227 S N -0.140 115.520 115.700 -0.068 0.000 2.564 227 S HA 0.347 4.817 4.470 -0.000 0.000 0.278 227 S C 1.276 175.876 174.600 0.002 0.000 1.333 227 S CA 0.056 58.234 58.200 -0.037 0.000 1.048 227 S CB 1.548 64.725 63.200 -0.039 0.000 0.900 227 S HN 0.443 nan 8.310 nan 0.000 0.505 228 A N 2.624 125.439 122.820 -0.008 0.000 2.229 228 A HA 0.349 4.669 4.320 -0.000 0.000 0.211 228 A C 0.638 178.254 177.584 0.055 0.000 1.193 228 A CA 0.162 52.212 52.037 0.022 0.000 0.879 228 A CB 0.334 19.307 19.000 -0.045 0.000 0.911 228 A HN 0.632 nan 8.150 nan 0.000 0.492 229 T N 0.466 115.044 114.554 0.041 0.000 2.921 229 T HA 0.600 4.950 4.350 -0.000 0.000 0.297 229 T C -0.850 173.895 174.700 0.075 0.000 1.013 229 T CA -0.120 62.012 62.100 0.055 0.000 0.990 229 T CB 1.483 70.361 68.868 0.015 0.000 1.023 229 T HN 0.171 nan 8.240 nan 0.000 0.447 230 I N 2.574 123.214 120.570 0.117 0.000 2.406 230 I HA 0.498 4.668 4.170 -0.000 0.000 0.290 230 I C -0.589 175.583 176.117 0.092 0.000 0.999 230 I CA -1.150 60.238 61.300 0.146 0.000 1.124 230 I CB 1.964 40.127 38.000 0.270 0.000 1.289 230 I HN 0.258 nan 8.210 nan 0.000 0.441 231 V N 7.084 127.006 119.914 0.013 0.000 2.334 231 V HA 0.335 4.455 4.120 -0.000 0.000 0.281 231 V C -0.034 175.908 176.094 -0.255 0.000 1.016 231 V CA -0.453 61.788 62.300 -0.099 0.000 0.832 231 V CB 1.455 33.100 31.823 -0.296 0.000 0.999 231 V HN 0.707 nan 8.190 nan 0.000 0.439 232 M N 6.021 125.477 119.600 -0.240 0.000 2.061 232 M HA 0.471 4.951 4.480 -0.000 0.000 0.346 232 M C -0.346 175.759 176.300 -0.325 0.000 1.112 232 M CA -0.282 54.668 55.300 -0.582 0.000 1.021 232 M CB 0.788 33.064 32.600 -0.541 0.000 1.530 232 M HN 0.568 nan 8.290 nan 0.000 0.437 233 L N 3.741 124.729 121.223 -0.393 0.000 2.741 233 L HA 0.278 4.618 4.340 -0.000 0.000 0.237 233 L C 0.492 177.233 176.870 -0.215 0.000 1.178 233 L CA -0.037 54.641 54.840 -0.270 0.000 0.973 233 L CB 0.329 42.130 42.059 -0.431 0.000 1.255 233 L HN 0.698 nan 8.230 nan 0.000 0.498 234 T N -1.143 113.324 114.554 -0.146 0.000 2.916 234 T HA 0.410 4.759 4.350 -0.000 0.000 0.292 234 T C -0.318 174.466 174.700 0.140 0.000 1.055 234 T CA -0.611 61.464 62.100 -0.042 0.000 1.009 234 T CB 1.630 70.469 68.868 -0.047 0.000 1.118 234 T HN -0.032 nan 8.240 nan 0.000 0.497 235 N N 1.910 120.713 118.700 0.172 0.000 2.458 235 N HA 0.383 5.123 4.740 -0.000 0.000 0.271 235 N C 1.373 176.982 175.510 0.164 0.000 1.210 235 N CA -0.457 52.740 53.050 0.244 0.000 0.978 235 N CB 1.173 39.755 38.487 0.159 0.000 1.206 235 N HN 0.513 nan 8.380 nan 0.000 0.536 236 L N 0.778 122.100 121.223 0.165 0.000 1.988 236 L HA -0.105 4.234 4.340 -0.000 0.000 0.207 236 L C 1.403 178.303 176.870 0.050 0.000 1.071 236 L CA 1.542 56.435 54.840 0.089 0.000 0.744 236 L CB -0.440 41.639 42.059 0.032 0.000 0.893 236 L HN 0.547 nan 8.230 nan 0.000 0.433 237 K N 0.533 120.959 120.400 0.044 0.000 2.166 237 K HA 0.757 5.077 4.320 -0.000 0.000 0.245 237 K C -0.438 176.188 176.600 0.044 0.000 0.967 237 K CA 0.041 56.348 56.287 0.033 0.000 0.863 237 K CB 0.911 33.422 32.500 0.017 0.000 1.107 237 K HN 0.179 nan 8.250 nan 0.000 0.436 238 E N -0.461 119.763 120.200 0.040 0.000 2.302 238 E HA 0.587 4.937 4.350 -0.000 0.000 0.263 238 E C 0.376 176.999 176.600 0.037 0.000 0.897 238 E CA 0.173 56.599 56.400 0.043 0.000 0.809 238 E CB 0.496 30.223 29.700 0.045 0.000 1.270 238 E HN 2.301 nan 8.360 nan 0.000 0.410 239 R N 0.230 120.751 120.500 0.036 0.000 3.627 239 R HA 0.096 4.436 4.340 -0.000 0.000 0.281 239 R C 1.559 177.874 176.300 0.026 0.000 1.140 239 R CA 2.580 58.699 56.100 0.031 0.000 0.761 239 R CB -3.220 27.100 30.300 0.033 0.000 1.181 239 R HN 2.663 nan 8.270 nan 0.000 0.472 240 K N -5.056 115.357 120.400 0.023 0.000 3.434 240 K HA 0.247 4.566 4.320 -0.000 0.000 0.303 240 K C 0.302 176.912 176.600 0.017 0.000 1.351 240 K CA 2.386 58.683 56.287 0.017 0.000 0.900 240 K CB -2.811 29.698 32.500 0.015 0.000 1.385 240 K HN 2.761 nan 8.250 nan 0.000 0.477 241 E N -0.248 119.966 120.200 0.023 0.000 2.216 241 E HA 0.659 5.008 4.350 -0.000 0.000 0.260 241 E C -0.140 176.476 176.600 0.027 0.000 0.880 241 E CA 0.346 56.761 56.400 0.025 0.000 0.765 241 E CB 0.771 30.492 29.700 0.034 0.000 1.174 241 E HN 1.780 nan 8.360 nan 0.000 0.417 242 E N 2.599 122.809 120.200 0.017 0.000 2.161 242 E HA 0.139 4.489 4.350 -0.000 0.000 0.263 242 E C 0.620 177.234 176.600 0.024 0.000 1.185 242 E CA -0.336 56.073 56.400 0.015 0.000 0.938 242 E CB -0.025 29.680 29.700 0.008 0.000 1.023 242 E HN 0.390 nan 8.360 nan 0.000 0.433 243 K N 0.107 120.532 120.400 0.041 0.000 2.361 243 K HA 0.140 4.460 4.320 -0.000 0.000 0.196 243 K C 0.248 176.881 176.600 0.055 0.000 1.039 243 K CA 0.433 56.758 56.287 0.063 0.000 1.001 243 K CB -0.130 32.410 32.500 0.066 0.000 0.795 243 K HN 0.655 nan 8.250 nan 0.000 0.495 244 C N 0.588 119.914 119.300 0.043 0.000 3.199 244 C HA 0.237 4.697 4.460 -0.000 0.000 0.392 244 C C -0.992 174.021 174.990 0.038 0.000 1.050 244 C CA -1.013 58.029 59.018 0.041 0.000 1.222 244 C CB 0.682 28.476 27.740 0.089 0.000 1.595 244 C HN 0.523 nan 8.230 nan 0.000 0.560 245 H N 3.664 122.690 119.070 -0.075 0.000 2.610 245 H HA 0.250 4.806 4.556 -0.001 0.000 0.336 245 H C -0.048 175.213 175.328 -0.111 0.000 1.087 245 H CA 0.483 56.471 56.048 -0.099 0.000 1.405 245 H CB 1.295 30.993 29.762 -0.106 0.000 1.460 245 H HN 0.882 nan 8.280 nan 0.000 0.538 246 Q N 4.509 123.876 119.800 -0.721 0.000 2.271 246 Q HA -0.055 4.285 4.340 -0.000 0.000 0.273 246 Q C -0.654 175.012 176.000 -0.557 0.000 1.051 246 Q CA -0.115 55.166 55.803 -0.869 0.000 0.901 246 Q CB 0.166 28.259 28.738 -1.075 0.000 1.174 246 Q HN 0.730 nan 8.270 nan 0.000 0.385 247 Y N 2.543 122.613 120.300 -0.383 0.000 2.696 247 Y HA 0.393 4.942 4.550 -0.001 0.000 0.260 247 Y C -1.343 174.641 175.900 0.140 0.000 1.165 247 Y CA -1.291 56.754 58.100 -0.092 0.000 1.189 247 Y CB -0.281 38.050 38.460 -0.216 0.000 1.180 247 Y HN 0.480 nan 8.280 nan 0.000 0.538 248 W N -0.210 121.014 121.300 -0.128 0.000 3.127 248 W HA 0.814 5.474 4.660 -0.000 0.000 0.330 248 W C -3.274 173.289 176.519 0.073 0.000 1.187 248 W CA -3.076 54.232 57.345 -0.061 0.000 1.198 248 W CB 0.631 29.931 29.460 -0.267 0.000 1.408 248 W HN -0.251 nan 8.180 nan 0.000 0.529 249 P HA 0.179 nan 4.420 nan 0.000 0.271 249 P C 0.433 177.906 177.300 0.288 0.000 1.216 249 P CA 0.886 64.106 63.100 0.199 0.000 0.776 249 P CB 0.954 32.825 31.700 0.284 0.000 0.881 250 D N 1.412 121.883 120.400 0.119 0.000 2.085 250 D HA 0.053 4.693 4.640 -0.000 0.000 0.199 250 D C 1.195 177.610 176.300 0.192 0.000 0.981 250 D CA 1.734 55.834 54.000 0.167 0.000 0.834 250 D CB -0.583 40.246 40.800 0.047 0.000 0.992 250 D HN 0.696 nan 8.370 nan 0.000 0.457 251 Q N -1.547 118.337 119.800 0.140 0.000 2.306 251 Q HA 0.657 4.996 4.340 -0.000 0.000 0.265 251 Q C 1.253 177.347 176.000 0.156 0.000 1.022 251 Q CA 0.211 56.094 55.803 0.135 0.000 0.853 251 Q CB 0.997 29.791 28.738 0.093 0.000 1.327 251 Q HN 1.872 nan 8.270 nan 0.000 0.449 252 G N -0.644 108.245 108.800 0.147 0.000 2.556 252 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.283 252 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.283 252 G C 0.539 175.541 174.900 0.170 0.000 1.177 252 G CA 0.333 45.516 45.100 0.137 0.000 0.978 252 G HN 1.731 nan 8.290 nan 0.000 0.554 253 c N -1.026 117.667 118.600 0.156 0.000 2.971 253 c HA 0.913 5.482 4.570 -0.000 0.000 0.310 253 c C -0.585 173.632 174.090 0.213 0.000 1.285 253 c CA -0.409 56.009 56.329 0.149 0.000 1.593 253 c CB 1.912 44.454 42.510 0.053 0.000 2.076 253 c HN 0.810 nan 8.230 nan 0.000 0.472 254 W N 0.517 121.754 121.300 -0.106 0.000 3.624 254 W HA 0.489 5.149 4.660 -0.000 0.000 0.312 254 W C -0.647 175.671 176.519 -0.335 0.000 1.203 254 W CA -0.298 56.888 57.345 -0.265 0.000 1.225 254 W CB 1.392 30.602 29.460 -0.416 0.000 1.321 254 W HN 0.964 nan 8.180 nan 0.000 0.506 255 T N 3.970 118.140 114.554 -0.640 0.000 2.739 255 T HA 0.390 4.740 4.350 -0.000 0.000 0.298 255 T C -1.073 173.462 174.700 -0.275 0.000 0.929 255 T CA 0.201 62.076 62.100 -0.376 0.000 1.014 255 T CB -0.198 68.453 68.868 -0.361 0.000 0.914 255 T HN 0.256 nan 8.240 nan 0.000 0.509 256 Y N 3.786 124.111 120.300 0.041 0.000 2.751 256 Y HA 0.446 4.996 4.550 -0.000 0.000 0.333 256 Y C 1.526 177.474 175.900 0.079 0.000 1.122 256 Y CA 0.349 58.546 58.100 0.162 0.000 1.367 256 Y CB 0.378 38.962 38.460 0.207 0.000 1.242 256 Y HN 1.185 nan 8.280 nan 0.000 0.505 257 G N 1.643 110.530 108.800 0.145 0.000 2.536 257 G HA2 -0.441 3.518 3.960 -0.000 0.000 0.277 257 G HA3 -0.441 3.518 3.960 -0.000 0.000 0.277 257 G C 0.886 175.784 174.900 -0.003 0.000 1.155 257 G CA 0.285 45.432 45.100 0.078 0.000 0.960 257 G HN 0.770 nan 8.290 nan 0.000 0.544 258 N N -0.166 118.523 118.700 -0.019 0.000 2.276 258 N HA 0.569 5.308 4.740 -0.000 0.000 0.212 258 N C 0.365 175.777 175.510 -0.164 0.000 1.127 258 N CA 1.005 54.002 53.050 -0.088 0.000 0.834 258 N CB 0.154 38.592 38.487 -0.083 0.000 1.014 258 N HN 0.673 nan 8.380 nan 0.000 0.491 259 I N 1.219 121.712 120.570 -0.128 0.000 2.410 259 I HA 0.442 4.612 4.170 -0.000 0.000 0.286 259 I C 0.390 176.401 176.117 -0.178 0.000 1.009 259 I CA -1.159 60.010 61.300 -0.218 0.000 1.111 259 I CB 0.843 38.745 38.000 -0.163 0.000 1.262 259 I HN 0.390 nan 8.210 nan 0.000 0.443 260 R N 5.664 126.037 120.500 -0.212 0.000 2.196 260 R HA 0.667 5.007 4.340 -0.000 0.000 0.340 260 R C -0.827 175.373 176.300 -0.167 0.000 1.043 260 R CA -0.430 55.572 56.100 -0.162 0.000 0.883 260 R CB 0.515 30.728 30.300 -0.145 0.000 1.078 260 R HN 0.448 nan 8.270 nan 0.000 0.462 261 V N 1.578 121.400 119.914 -0.153 0.000 2.539 261 V HA 0.583 4.702 4.120 -0.000 0.000 0.292 261 V C 0.006 176.115 176.094 0.025 0.000 1.045 261 V CA -0.839 61.339 62.300 -0.204 0.000 0.945 261 V CB 1.683 33.193 31.823 -0.522 0.000 0.993 261 V HN 1.015 nan 8.190 nan 0.000 0.464 262 c N 3.367 122.040 118.600 0.122 0.000 2.608 262 c HA 0.516 5.085 4.570 -0.000 0.000 0.325 262 c C -0.075 174.240 174.090 0.373 0.000 1.147 262 c CA -0.891 55.566 56.329 0.213 0.000 1.359 262 c CB 1.590 44.182 42.510 0.138 0.000 1.912 262 c HN 0.631 nan 8.230 nan 0.000 0.466 263 V N 4.027 124.170 119.914 0.382 0.000 2.470 263 V HA 0.165 4.284 4.120 -0.000 0.000 0.276 263 V C 0.804 177.003 176.094 0.176 0.000 1.040 263 V CA 0.602 63.119 62.300 0.361 0.000 1.008 263 V CB 0.841 32.865 31.823 0.336 0.000 0.990 263 V HN 0.913 nan 8.190 nan 0.000 0.477 264 E N 2.499 122.756 120.200 0.095 0.000 2.330 264 E HA 0.219 4.569 4.350 -0.000 0.000 0.200 264 E C 0.658 177.264 176.600 0.009 0.000 0.922 264 E CA 1.040 57.472 56.400 0.053 0.000 0.935 264 E CB 0.607 30.340 29.700 0.054 0.000 0.917 264 E HN 0.914 nan 8.360 nan 0.000 0.491 265 D N -0.939 119.433 120.400 -0.047 0.000 2.654 265 D HA 0.611 5.250 4.640 -0.000 0.000 0.231 265 D C -0.871 175.367 176.300 -0.104 0.000 1.239 265 D CA -0.054 53.914 54.000 -0.052 0.000 0.790 265 D CB 1.004 41.780 40.800 -0.040 0.000 1.480 265 D HN 0.277 nan 8.370 nan 0.000 0.442 266 C N 1.215 120.475 119.300 -0.066 0.000 2.397 266 C HA 0.835 5.294 4.460 -0.000 0.000 0.325 266 C C -0.204 174.750 174.990 -0.061 0.000 1.201 266 C CA -0.616 58.355 59.018 -0.078 0.000 1.377 266 C CB 0.531 28.247 27.740 -0.039 0.000 2.038 266 C HN 0.743 nan 8.230 nan 0.000 0.457 267 V N 5.240 125.113 119.914 -0.068 0.000 2.357 267 V HA 0.545 4.665 4.120 -0.000 0.000 0.284 267 V C -0.028 175.993 176.094 -0.121 0.000 1.018 267 V CA -0.557 61.697 62.300 -0.077 0.000 0.841 267 V CB 1.322 33.114 31.823 -0.051 0.000 0.991 267 V HN 0.676 nan 8.190 nan 0.000 0.437 268 V N 7.257 127.076 119.914 -0.158 0.000 2.304 268 V HA 0.408 4.527 4.120 -0.000 0.000 0.269 268 V C 0.146 176.045 176.094 -0.325 0.000 1.036 268 V CA -0.090 62.081 62.300 -0.216 0.000 0.840 268 V CB 0.955 32.673 31.823 -0.174 0.000 1.036 268 V HN 0.637 nan 8.190 nan 0.000 0.466 269 L N 4.045 124.990 121.223 -0.462 0.000 2.440 269 L HA 0.460 4.799 4.340 -0.000 0.000 0.262 269 L C 1.497 178.052 176.870 -0.524 0.000 1.072 269 L CA -0.361 54.094 54.840 -0.642 0.000 0.798 269 L CB 1.176 42.669 42.059 -0.943 0.000 1.307 269 L HN 0.368 nan 8.230 nan 0.000 0.475 270 V N 0.607 120.229 119.914 -0.487 0.000 2.358 270 V HA -0.230 3.890 4.120 -0.000 0.000 0.246 270 V C 1.895 177.817 176.094 -0.286 0.000 1.047 270 V CA 2.781 64.892 62.300 -0.315 0.000 1.035 270 V CB -0.249 31.446 31.823 -0.213 0.000 0.658 270 V HN 0.992 nan 8.190 nan 0.000 0.452 271 D N -2.116 118.106 120.400 -0.298 0.000 2.346 271 D HA 0.243 4.883 4.640 -0.000 0.000 0.206 271 D C 0.545 176.634 176.300 -0.352 0.000 1.001 271 D CA 0.799 54.645 54.000 -0.256 0.000 0.871 271 D CB 0.038 40.838 40.800 -0.000 0.000 0.943 271 D HN 0.829 nan 8.370 nan 0.000 0.518 272 Y N -2.936 117.204 120.300 -0.267 0.000 2.624 272 Y HA 0.555 5.105 4.550 -0.000 0.000 0.334 272 Y C -0.463 175.374 175.900 -0.104 0.000 1.155 272 Y CA -0.940 57.051 58.100 -0.182 0.000 1.046 272 Y CB 1.036 39.579 38.460 0.139 0.000 1.316 272 Y HN -0.010 nan 8.280 nan 0.000 0.457 273 T N 0.417 115.008 114.554 0.063 0.000 2.924 273 T HA 0.778 5.128 4.350 -0.000 0.000 0.291 273 T C -1.462 173.335 174.700 0.162 0.000 1.045 273 T CA -0.701 61.396 62.100 -0.004 0.000 1.015 273 T CB 1.787 70.582 68.868 -0.123 0.000 1.103 273 T HN 0.910 nan 8.240 nan 0.000 0.496 274 I N 1.553 122.166 120.570 0.072 0.000 2.478 274 I HA 0.515 4.684 4.170 -0.000 0.000 0.287 274 I C -0.529 175.540 176.117 -0.080 0.000 1.042 274 I CA -0.883 60.457 61.300 0.067 0.000 1.067 274 I CB 1.515 39.594 38.000 0.131 0.000 1.233 274 I HN 0.659 nan 8.210 nan 0.000 0.431 275 R N 5.061 125.445 120.500 -0.193 0.000 2.534 275 R HA 0.476 4.815 4.340 -0.000 0.000 0.301 275 R C -1.186 174.762 176.300 -0.587 0.000 0.961 275 R CA -1.028 54.807 56.100 -0.441 0.000 0.871 275 R CB 2.273 32.172 30.300 -0.669 0.000 1.170 275 R HN 0.279 nan 8.270 nan 0.000 0.446 276 K N 3.018 123.101 120.400 -0.529 0.000 2.293 276 K HA 0.368 4.688 4.320 -0.000 0.000 0.267 276 K C -1.364 175.014 176.600 -0.370 0.000 1.010 276 K CA -0.059 56.027 56.287 -0.335 0.000 0.875 276 K CB 0.622 33.046 32.500 -0.127 0.000 1.106 276 K HN 0.295 nan 8.250 nan 0.000 0.450 277 F N 1.506 121.531 119.950 0.124 0.000 2.470 277 F HA 0.462 4.989 4.527 -0.001 0.000 0.329 277 F C 0.015 175.894 175.800 0.131 0.000 1.072 277 F CA -1.107 56.980 58.000 0.146 0.000 0.989 277 F CB 1.586 40.721 39.000 0.225 0.000 1.193 277 F HN 0.318 nan 8.300 nan 0.000 0.481 278 C N 5.940 125.441 119.300 0.336 0.000 2.362 278 C HA 0.621 5.081 4.460 -0.000 0.000 0.309 278 C C -0.145 174.941 174.990 0.159 0.000 1.110 278 C CA -0.793 58.354 59.018 0.216 0.000 1.485 278 C CB -1.588 26.245 27.740 0.155 0.000 1.949 278 C HN 0.660 nan 8.230 nan 0.000 0.419 279 I N 3.729 124.407 120.570 0.181 0.000 2.566 279 I HA 0.742 4.912 4.170 -0.000 0.000 0.303 279 I C -0.790 175.388 176.117 0.102 0.000 0.983 279 I CA -0.101 61.246 61.300 0.079 0.000 1.235 279 I CB 1.628 39.694 38.000 0.110 0.000 1.386 279 I HN 0.769 nan 8.210 nan 0.000 0.494 280 Q N 5.839 125.547 119.800 -0.153 0.000 2.574 280 Q HA 0.487 4.827 4.340 -0.000 0.000 0.265 280 Q C -3.001 172.721 176.000 -0.464 0.000 0.975 280 Q CA -1.245 54.375 55.803 -0.306 0.000 0.923 280 Q CB 3.025 31.715 28.738 -0.081 0.000 1.518 280 Q HN 0.531 nan 8.270 nan 0.000 0.401 289 A N 3.751 126.675 122.820 0.174 0.000 2.537 289 A HA 0.507 4.826 4.320 -0.000 0.000 0.260 289 A C -1.786 175.945 177.584 0.245 0.000 1.082 289 A CA -0.260 51.870 52.037 0.156 0.000 0.765 289 A CB -0.623 18.439 19.000 0.103 0.000 1.019 289 A HN 0.448 nan 8.150 nan 0.000 0.507 290 P HA 0.270 nan 4.420 nan 0.000 0.270 290 P C -0.390 177.050 177.300 0.234 0.000 1.223 290 P CA -0.165 63.069 63.100 0.223 0.000 0.785 290 P CB 0.707 32.486 31.700 0.131 0.000 0.923 291 R N 1.024 121.698 120.500 0.289 0.000 2.725 291 R HA 0.559 4.899 4.340 -0.000 0.000 0.277 291 R C -1.038 175.397 176.300 0.226 0.000 0.987 291 R CA -0.936 55.304 56.100 0.234 0.000 0.901 291 R CB 1.346 31.785 30.300 0.233 0.000 1.207 291 R HN 0.422 nan 8.270 nan 0.000 0.463 292 L N 3.903 125.234 121.223 0.178 0.000 2.265 292 L HA 0.438 4.777 4.340 -0.000 0.000 0.289 292 L C -0.801 176.184 176.870 0.192 0.000 1.033 292 L CA -0.771 54.175 54.840 0.177 0.000 0.814 292 L CB 1.798 43.932 42.059 0.126 0.000 1.203 292 L HN 0.322 nan 8.230 nan 0.000 0.423 293 V N 2.534 122.610 119.914 0.270 0.000 2.417 293 V HA 0.375 4.494 4.120 -0.000 0.000 0.291 293 V C -0.040 176.212 176.094 0.264 0.000 1.024 293 V CA -0.546 61.933 62.300 0.299 0.000 0.861 293 V CB 1.959 34.058 31.823 0.460 0.000 0.985 293 V HN 0.822 nan 8.190 nan 0.000 0.436 294 S N 4.555 120.348 115.700 0.155 0.000 2.433 294 S HA 0.525 4.995 4.470 -0.000 0.000 0.310 294 S C -0.570 174.083 174.600 0.088 0.000 1.097 294 S CA -0.705 57.533 58.200 0.062 0.000 1.103 294 S CB 1.460 64.670 63.200 0.017 0.000 0.992 294 S HN 0.741 nan 8.310 nan 0.000 0.469 295 Q N 2.825 122.655 119.800 0.050 0.000 2.278 295 Q HA 0.464 4.803 4.340 -0.000 0.000 0.257 295 Q C -1.634 174.390 176.000 0.041 0.000 0.928 295 Q CA -0.659 55.199 55.803 0.091 0.000 0.932 295 Q CB 0.725 29.539 28.738 0.126 0.000 1.221 295 Q HN 0.748 nan 8.270 nan 0.000 0.434 296 L N 4.292 125.568 121.223 0.089 0.000 2.298 296 L HA 0.359 4.699 4.340 -0.000 0.000 0.284 296 L C -0.476 176.617 176.870 0.371 0.000 1.013 296 L CA -0.304 54.648 54.840 0.187 0.000 0.824 296 L CB 1.318 43.364 42.059 -0.021 0.000 1.221 296 L HN 0.622 nan 8.230 nan 0.000 0.418 297 H N 3.872 123.100 119.070 0.262 0.000 2.638 297 H HA 0.276 4.831 4.556 -0.001 0.000 0.303 297 H C -1.087 174.342 175.328 0.169 0.000 1.034 297 H CA -0.930 55.209 56.048 0.151 0.000 1.225 297 H CB 0.807 30.571 29.762 0.003 0.000 1.394 297 H HN 0.504 nan 8.280 nan 0.000 0.477 298 F N 5.149 125.168 119.950 0.115 0.000 2.462 298 F HA 0.080 4.607 4.527 -0.000 0.000 0.360 298 F C 0.769 176.572 175.800 0.004 0.000 1.134 298 F CA 0.184 58.044 58.000 -0.234 0.000 1.148 298 F CB 0.957 39.512 39.000 -0.742 0.000 1.147 298 F HN 0.552 nan 8.300 nan 0.000 0.550 299 T N 2.815 117.127 114.554 -0.402 0.000 3.035 299 T HA -0.022 4.328 4.350 -0.000 0.000 0.259 299 T C 2.280 176.816 174.700 -0.273 0.000 1.078 299 T CA 1.185 63.101 62.100 -0.306 0.000 1.132 299 T CB -0.036 68.625 68.868 -0.345 0.000 0.900 299 T HN 0.702 nan 8.240 nan 0.000 0.480 300 S N 0.495 115.824 115.700 -0.618 0.000 2.481 300 S HA -0.008 4.462 4.470 -0.000 0.000 0.231 300 S C 0.745 175.335 174.600 -0.016 0.000 0.996 300 S CA 0.044 58.037 58.200 -0.344 0.000 0.942 300 S CB -0.491 62.419 63.200 -0.483 0.000 0.768 300 S HN 0.504 nan 8.310 nan 0.000 0.520 301 W N 4.387 125.703 121.300 0.026 0.000 2.397 301 W HA 0.219 4.878 4.660 -0.001 0.000 0.327 301 W C -2.450 174.042 176.519 -0.045 0.000 1.421 301 W CA -1.824 55.565 57.345 0.075 0.000 1.288 301 W CB 0.425 29.957 29.460 0.120 0.000 1.312 301 W HN 0.149 nan 8.180 nan 0.000 0.559 302 P HA 0.108 nan 4.420 nan 0.000 0.274 302 P C 0.452 177.857 177.300 0.176 0.000 1.246 302 P CA 0.701 63.837 63.100 0.060 0.000 0.795 302 P CB 0.679 32.301 31.700 -0.130 0.000 1.006 303 D N 0.198 120.666 120.400 0.114 0.000 2.078 303 D HA -0.002 4.638 4.640 -0.000 0.000 0.193 303 D C 0.899 177.251 176.300 0.086 0.000 0.990 303 D CA 1.507 55.564 54.000 0.096 0.000 0.827 303 D CB -0.676 40.166 40.800 0.070 0.000 0.975 303 D HN 0.470 nan 8.370 nan 0.000 0.451 304 F N -0.567 119.422 119.950 0.065 0.000 2.444 304 F HA 0.683 5.210 4.527 -0.000 0.000 0.342 304 F C 1.132 176.948 175.800 0.028 0.000 1.121 304 F CA -0.537 57.492 58.000 0.047 0.000 0.997 304 F CB 0.879 39.901 39.000 0.037 0.000 1.130 304 F HN 1.156 nan 8.300 nan 0.000 0.454 305 G N -0.215 108.601 108.800 0.027 0.000 2.662 305 G HA2 0.432 4.392 3.960 -0.000 0.000 0.686 305 G HA3 0.432 4.392 3.960 -0.000 0.000 0.686 305 G C -0.499 174.348 174.900 -0.088 0.000 1.271 305 G CA -0.316 44.769 45.100 -0.025 0.000 0.816 305 G HN 2.774 nan 8.290 nan 0.000 0.608 306 V N 0.950 120.747 119.914 -0.195 0.000 3.185 306 V HA 0.720 4.839 4.120 -0.000 0.000 0.305 306 V C -0.669 174.989 176.094 -0.728 0.000 1.090 306 V CA -0.461 61.521 62.300 -0.530 0.000 1.107 306 V CB -0.063 31.478 31.823 -0.469 0.000 1.061 306 V HN 0.834 nan 8.190 nan 0.000 0.480 307 P HA 0.218 nan 4.420 nan 0.000 0.272 307 P C -0.104 176.870 177.300 -0.544 0.000 1.248 307 P CA 0.124 62.608 63.100 -1.026 0.000 0.799 307 P CB 0.142 31.371 31.700 -0.786 0.000 0.997 308 F N -1.485 118.440 119.950 -0.042 0.000 2.138 308 F HA 0.197 4.724 4.527 -0.001 0.000 0.283 308 F C 1.940 177.740 175.800 0.001 0.000 1.100 308 F CA 1.114 59.089 58.000 -0.042 0.000 1.189 308 F CB -1.779 37.160 39.000 -0.103 0.000 1.060 308 F HN 0.200 nan 8.300 nan 0.000 0.492 309 T N 0.496 115.198 114.554 0.248 0.000 2.849 309 T HA 0.514 4.864 4.350 -0.000 0.000 0.276 309 T C -2.018 172.739 174.700 0.094 0.000 0.971 309 T CA -1.809 60.367 62.100 0.128 0.000 0.949 309 T CB -0.086 68.858 68.868 0.126 0.000 1.093 309 T HN -0.053 nan 8.240 nan 0.000 0.545 310 P HA 0.324 nan 4.420 nan 0.000 0.290 310 P C 1.557 178.906 177.300 0.081 0.000 1.447 310 P CA 0.084 63.155 63.100 -0.048 0.000 1.127 310 P CB -0.617 30.853 31.700 -0.384 0.000 1.555 311 I N 0.728 121.376 120.570 0.130 0.000 2.163 311 I HA -0.110 4.059 4.170 -0.000 0.000 0.243 311 I C 2.412 178.664 176.117 0.226 0.000 1.085 311 I CA 2.602 64.005 61.300 0.172 0.000 1.347 311 I CB -2.006 36.088 38.000 0.157 0.000 1.044 311 I HN 0.141 nan 8.210 nan 0.000 0.408 312 G N -0.576 108.384 108.800 0.268 0.000 2.446 312 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.217 312 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.217 312 G C 1.730 176.913 174.900 0.472 0.000 1.168 312 G CA 1.556 46.886 45.100 0.383 0.000 0.771 312 G HN 0.605 nan 8.290 nan 0.000 0.551 313 M N 0.075 119.880 119.600 0.341 0.000 2.229 313 M HA 0.228 4.707 4.480 -0.000 0.000 0.264 313 M C 2.267 178.698 176.300 0.219 0.000 1.063 313 M CA 1.029 56.447 55.300 0.196 0.000 1.114 313 M CB -0.305 32.362 32.600 0.112 0.000 1.387 313 M HN 0.181 nan 8.290 nan 0.000 0.420 314 L N -0.324 121.002 121.223 0.171 0.000 2.072 314 L HA -0.152 4.188 4.340 -0.000 0.000 0.205 314 L C 2.795 179.754 176.870 0.149 0.000 1.079 314 L CA 1.566 56.472 54.840 0.109 0.000 0.752 314 L CB -1.048 41.081 42.059 0.117 0.000 0.906 314 L HN 0.349 nan 8.230 nan 0.000 0.436 315 K N 0.001 120.538 120.400 0.228 0.000 2.026 315 K HA -0.258 4.062 4.320 -0.000 0.000 0.208 315 K C 1.879 178.597 176.600 0.197 0.000 1.048 315 K CA 1.865 58.295 56.287 0.238 0.000 0.929 315 K CB -1.499 31.190 32.500 0.315 0.000 0.713 315 K HN 0.275 nan 8.250 nan 0.000 0.439 316 F N 0.646 120.641 119.950 0.074 0.000 2.161 316 F HA -0.052 4.475 4.527 -0.001 0.000 0.300 316 F C 2.030 177.818 175.800 -0.021 0.000 1.089 316 F CA 1.641 59.574 58.000 -0.112 0.000 1.282 316 F CB -0.143 38.910 39.000 0.089 0.000 1.010 316 F HN 0.153 nan 8.300 nan 0.000 0.485 317 L N 0.501 121.773 121.223 0.082 0.000 2.291 317 L HA -0.044 4.296 4.340 -0.000 0.000 0.214 317 L C 2.530 179.333 176.870 -0.111 0.000 1.120 317 L CA 1.547 56.360 54.840 -0.044 0.000 0.799 317 L CB -0.700 41.285 42.059 -0.123 0.000 0.925 317 L HN 0.159 nan 8.230 nan 0.000 0.446 318 K N -0.149 120.211 120.400 -0.066 0.000 2.116 318 K HA -0.148 4.172 4.320 -0.000 0.000 0.203 318 K C 2.069 178.628 176.600 -0.069 0.000 1.052 318 K CA 1.452 57.712 56.287 -0.045 0.000 0.952 318 K CB -0.457 32.057 32.500 0.024 0.000 0.729 318 K HN 0.214 nan 8.250 nan 0.000 0.446 319 K N 0.403 120.730 120.400 -0.122 0.000 2.148 319 K HA 0.009 4.328 4.320 -0.000 0.000 0.204 319 K C 1.934 178.424 176.600 -0.184 0.000 1.050 319 K CA 1.193 57.396 56.287 -0.141 0.000 0.942 319 K CB -0.410 31.969 32.500 -0.202 0.000 0.724 319 K HN 0.154 nan 8.250 nan 0.000 0.446 320 V N 0.963 120.719 119.914 -0.264 0.000 2.295 320 V HA -0.259 3.860 4.120 -0.000 0.000 0.246 320 V C 2.639 178.684 176.094 -0.081 0.000 1.049 320 V CA 2.482 64.678 62.300 -0.173 0.000 1.024 320 V CB -0.872 30.889 31.823 -0.104 0.000 0.648 320 V HN 0.550 nan 8.190 nan 0.000 0.447 321 K N -0.209 120.149 120.400 -0.070 0.000 2.113 321 K HA -0.299 4.020 4.320 -0.000 0.000 0.208 321 K C 2.077 178.645 176.600 -0.052 0.000 1.047 321 K CA 2.464 58.717 56.287 -0.057 0.000 0.928 321 K CB -1.655 30.809 32.500 -0.060 0.000 0.716 321 K HN 0.618 nan 8.250 nan 0.000 0.446 322 T N 1.066 115.592 114.554 -0.047 0.000 2.777 322 T HA 0.017 4.367 4.350 -0.000 0.000 0.266 322 T C 1.857 176.540 174.700 -0.029 0.000 1.040 322 T CA 1.361 63.444 62.100 -0.029 0.000 1.141 322 T CB -0.133 68.728 68.868 -0.012 0.000 0.868 322 T HN 0.367 nan 8.240 nan 0.000 0.444 323 L N 0.465 121.664 121.223 -0.039 0.000 2.558 323 L HA 0.252 4.592 4.340 -0.000 0.000 0.225 323 L C 0.683 177.529 176.870 -0.040 0.000 1.128 323 L CA -0.116 54.706 54.840 -0.030 0.000 0.868 323 L CB -0.297 41.745 42.059 -0.029 0.000 1.006 323 L HN 0.124 nan 8.230 nan 0.000 0.454 324 N N 1.476 120.141 118.700 -0.058 0.000 2.419 324 N HA 0.232 4.971 4.740 -0.000 0.000 0.264 324 N C -2.351 173.090 175.510 -0.116 0.000 1.031 324 N CA -1.592 51.408 53.050 -0.083 0.000 0.951 324 N CB 1.037 39.474 38.487 -0.083 0.000 1.101 324 N HN -0.128 nan 8.380 nan 0.000 0.488 325 P HA 0.075 nan 4.420 nan 0.000 0.271 325 P C 1.151 178.289 177.300 -0.270 0.000 1.216 325 P CA -0.203 62.753 63.100 -0.240 0.000 0.776 325 P CB 0.638 32.067 31.700 -0.450 0.000 0.881 326 V N 3.543 123.371 119.914 -0.143 0.000 2.317 326 V HA -0.301 3.818 4.120 -0.000 0.000 0.251 326 V C 2.427 178.467 176.094 -0.090 0.000 1.065 326 V CA 2.580 64.828 62.300 -0.087 0.000 1.049 326 V CB -1.710 30.104 31.823 -0.015 0.000 0.651 326 V HN 0.810 nan 8.190 nan 0.000 0.450 327 H N -0.273 118.775 119.070 -0.037 0.000 2.547 327 H HA 0.471 5.026 4.556 -0.000 0.000 0.272 327 H C 1.158 176.456 175.328 -0.049 0.000 0.989 327 H CA 0.640 56.663 56.048 -0.041 0.000 1.214 327 H CB -0.385 29.355 29.762 -0.036 0.000 1.389 327 H HN 0.662 nan 8.280 nan 0.000 0.577 328 A N 1.432 123.973 122.820 -0.464 0.000 2.387 328 A HA 0.416 4.736 4.320 -0.000 0.000 0.251 328 A C 1.187 178.700 177.584 -0.119 0.000 1.113 328 A CA 0.160 52.026 52.037 -0.286 0.000 0.794 328 A CB -0.322 18.487 19.000 -0.318 0.000 1.069 328 A HN 0.561 nan 8.150 nan 0.000 0.506 329 G N -0.752 107.997 108.800 -0.085 0.000 2.516 329 G HA2 0.499 4.459 3.960 -0.000 0.000 0.276 329 G HA3 0.499 4.459 3.960 -0.000 0.000 0.276 329 G C -2.374 172.484 174.900 -0.070 0.000 1.390 329 G CA -0.871 44.191 45.100 -0.063 0.000 1.050 329 G HN 0.662 nan 8.290 nan 0.000 0.519 330 P HA 0.195 nan 4.420 nan 0.000 0.272 330 P C -0.244 177.038 177.300 -0.030 0.000 1.223 330 P CA -0.038 63.041 63.100 -0.035 0.000 0.784 330 P CB 1.002 32.745 31.700 0.072 0.000 0.923 331 I N 1.853 122.397 120.570 -0.043 0.000 2.452 331 I HA 0.060 4.230 4.170 -0.000 0.000 0.287 331 I C 0.479 176.674 176.117 0.130 0.000 1.079 331 I CA -0.655 60.673 61.300 0.046 0.000 1.387 331 I CB 0.732 38.793 38.000 0.102 0.000 1.404 331 I HN 0.013 nan 8.210 nan 0.000 0.522 332 V N 8.137 128.093 119.914 0.070 0.000 2.405 332 V HA 0.108 4.228 4.120 -0.000 0.000 0.264 332 V C 0.262 176.419 176.094 0.105 0.000 1.048 332 V CA -0.275 62.063 62.300 0.063 0.000 0.966 332 V CB 0.978 32.785 31.823 -0.027 0.000 1.015 332 V HN 0.401 nan 8.190 nan 0.000 0.477 333 V N 6.196 126.169 119.914 0.098 0.000 2.384 333 V HA 0.572 4.691 4.120 -0.000 0.000 0.287 333 V C -0.350 175.750 176.094 0.010 0.000 1.020 333 V CA -0.611 61.676 62.300 -0.022 0.000 0.850 333 V CB 1.370 33.150 31.823 -0.071 0.000 0.987 333 V HN 1.141 nan 8.190 nan 0.000 0.436 334 H N 2.321 121.332 119.070 -0.099 0.000 2.895 334 H HA 0.825 5.380 4.556 -0.000 0.000 0.373 334 H C -0.086 175.154 175.328 -0.146 0.000 1.174 334 H CA -0.320 55.663 56.048 -0.107 0.000 1.144 334 H CB 1.561 31.263 29.762 -0.101 0.000 1.793 334 H HN 0.663 nan 8.280 nan 0.000 0.551 335 C N 0.754 120.034 119.300 -0.033 0.000 3.185 335 C HA 0.903 5.362 4.460 -0.000 0.000 0.077 335 C C 2.086 177.103 174.990 0.045 0.000 2.338 335 C CA 0.810 59.768 59.018 -0.100 0.000 1.535 335 C CB 0.698 28.300 27.740 -0.228 0.000 2.550 335 C HN 0.955 nan 8.230 nan 0.000 0.425 336 S N 0.186 115.892 115.700 0.010 0.000 2.694 336 S HA 0.616 5.086 4.470 -0.000 0.000 0.225 336 S C 1.914 176.629 174.600 0.192 0.000 1.012 336 S CA 1.126 59.392 58.200 0.110 0.000 0.896 336 S CB -0.925 62.357 63.200 0.136 0.000 0.838 336 S HN 1.232 nan 8.310 nan 0.000 0.604 337 A N -0.055 122.831 122.820 0.110 0.000 2.123 337 A HA 0.473 4.793 4.320 -0.000 0.000 0.214 337 A C 1.906 179.522 177.584 0.053 0.000 1.152 337 A CA 1.261 53.364 52.037 0.110 0.000 0.728 337 A CB -0.732 18.165 19.000 -0.171 0.000 0.814 337 A HN 1.850 nan 8.150 nan 0.000 0.464 338 G N -1.469 107.333 108.800 0.003 0.000 2.143 338 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.249 338 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.249 338 G C 0.256 175.138 174.900 -0.031 0.000 0.981 338 G CA 0.716 45.811 45.100 -0.009 0.000 0.665 338 G HN 1.887 nan 8.290 nan 0.000 0.528 339 V N -4.007 115.876 119.914 -0.052 0.000 2.808 339 V HA 0.998 5.118 4.120 -0.000 0.000 0.308 339 V C 0.739 176.781 176.094 -0.087 0.000 1.099 339 V CA 0.571 62.839 62.300 -0.054 0.000 0.920 339 V CB 1.410 33.214 31.823 -0.032 0.000 1.014 339 V HN 2.118 nan 8.190 nan 0.000 0.425 340 G N 4.535 113.287 108.800 -0.081 0.000 1.829 340 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.214 340 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.214 340 G C 0.641 175.440 174.900 -0.168 0.000 1.627 340 G CA 0.283 45.319 45.100 -0.106 0.000 1.390 340 G HN 0.809 nan 8.290 nan 0.000 0.458 341 R N 0.143 120.435 120.500 -0.348 0.000 2.073 341 R HA 0.105 4.445 4.340 -0.000 0.000 0.234 341 R C 2.848 178.970 176.300 -0.296 0.000 1.134 341 R CA 2.160 57.915 56.100 -0.575 0.000 0.952 341 R CB -0.904 28.768 30.300 -1.046 0.000 0.850 341 R HN 0.492 nan 8.270 nan 0.000 0.433 342 T N -0.395 114.010 114.554 -0.248 0.000 2.737 342 T HA -0.157 4.193 4.350 -0.000 0.000 0.269 342 T C 1.814 176.483 174.700 -0.052 0.000 1.040 342 T CA 1.716 63.725 62.100 -0.151 0.000 1.142 342 T CB -0.439 68.349 68.868 -0.132 0.000 0.861 342 T HN 0.525 nan 8.240 nan 0.000 0.456 343 G N 0.257 109.028 108.800 -0.048 0.000 2.404 343 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.214 343 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.214 343 G C 1.861 176.784 174.900 0.038 0.000 1.189 343 G CA 1.659 46.755 45.100 -0.005 0.000 0.789 343 G HN 0.633 nan 8.290 nan 0.000 0.533 344 T N -1.105 113.483 114.554 0.056 0.000 2.759 344 T HA -0.188 4.162 4.350 -0.000 0.000 0.269 344 T C 2.121 176.888 174.700 0.113 0.000 1.042 344 T CA 1.493 63.658 62.100 0.108 0.000 1.140 344 T CB -0.439 68.540 68.868 0.186 0.000 0.864 344 T HN 0.174 nan 8.240 nan 0.000 0.455 345 F N 1.769 121.695 119.950 -0.040 0.000 2.075 345 F HA 0.103 4.630 4.527 -0.000 0.000 0.297 345 F C 2.102 177.808 175.800 -0.156 0.000 1.113 345 F CA 1.085 59.046 58.000 -0.064 0.000 1.218 345 F CB -0.338 38.610 39.000 -0.087 0.000 0.984 345 F HN 0.095 nan 8.300 nan 0.000 0.472 346 I N -0.412 120.105 120.570 -0.087 0.000 2.208 346 I HA -0.315 3.854 4.170 -0.000 0.000 0.245 346 I C 2.244 178.258 176.117 -0.172 0.000 1.097 346 I CA 1.244 62.309 61.300 -0.391 0.000 1.363 346 I CB -0.567 37.192 38.000 -0.402 0.000 1.051 346 I HN 0.039 nan 8.210 nan 0.000 0.413 347 V N 0.981 120.885 119.914 -0.016 0.000 2.295 347 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 347 V C 2.303 178.269 176.094 -0.214 0.000 1.049 347 V CA 1.859 64.166 62.300 0.012 0.000 1.024 347 V CB -0.419 31.454 31.823 0.083 0.000 0.648 347 V HN 0.336 nan 8.190 nan 0.000 0.447 348 I N 0.819 121.256 120.570 -0.223 0.000 2.264 348 I HA -0.279 3.891 4.170 -0.000 0.000 0.248 348 I C 2.612 178.518 176.117 -0.352 0.000 1.111 348 I CA 1.960 63.091 61.300 -0.281 0.000 1.382 348 I CB -0.933 36.926 38.000 -0.234 0.000 1.060 348 I HN 0.536 nan 8.210 nan 0.000 0.418 349 D N 0.850 121.015 120.400 -0.391 0.000 2.078 349 D HA -0.104 4.536 4.640 -0.000 0.000 0.193 349 D C 2.318 178.471 176.300 -0.245 0.000 0.990 349 D CA 1.536 55.349 54.000 -0.312 0.000 0.827 349 D CB -0.643 40.029 40.800 -0.214 0.000 0.975 349 D HN 0.429 nan 8.370 nan 0.000 0.451 350 A N -0.141 122.526 122.820 -0.256 0.000 1.903 350 A HA -0.141 4.179 4.320 -0.000 0.000 0.219 350 A C 2.310 179.615 177.584 -0.466 0.000 1.191 350 A CA 2.706 54.514 52.037 -0.383 0.000 0.638 350 A CB -0.490 17.915 19.000 -0.992 0.000 0.823 350 A HN 0.461 nan 8.150 nan 0.000 0.451 351 M N -1.407 117.909 119.600 -0.474 0.000 2.254 351 M HA 0.034 4.514 4.480 -0.000 0.000 0.265 351 M C 2.234 178.339 176.300 -0.326 0.000 1.066 351 M CA 1.164 56.220 55.300 -0.407 0.000 1.123 351 M CB -1.180 31.201 32.600 -0.364 0.000 1.388 351 M HN 0.465 nan 8.290 nan 0.000 0.425 352 M N -0.242 119.171 119.600 -0.311 0.000 2.117 352 M HA -0.163 4.317 4.480 -0.000 0.000 0.262 352 M C 2.354 178.561 176.300 -0.155 0.000 1.065 352 M CA 1.839 56.986 55.300 -0.254 0.000 1.114 352 M CB -0.578 31.744 32.600 -0.463 0.000 1.361 352 M HN 0.301 nan 8.290 nan 0.000 0.408 353 A N 0.151 122.824 122.820 -0.245 0.000 1.883 353 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 353 A C 2.205 179.441 177.584 -0.580 0.000 1.186 353 A CA 2.038 53.906 52.037 -0.282 0.000 0.624 353 A CB -0.785 18.093 19.000 -0.203 0.000 0.822 353 A HN 0.559 nan 8.150 nan 0.000 0.444 354 M N -1.210 117.853 119.600 -0.895 0.000 2.117 354 M HA -0.164 4.315 4.480 -0.000 0.000 0.262 354 M C 2.243 178.307 176.300 -0.393 0.000 1.065 354 M CA 1.858 56.586 55.300 -0.954 0.000 1.114 354 M CB -0.238 31.967 32.600 -0.658 0.000 1.361 354 M HN 0.495 nan 8.290 nan 0.000 0.408 355 M N -1.379 118.071 119.600 -0.249 0.000 2.065 355 M HA -0.264 4.216 4.480 -0.000 0.000 0.259 355 M C 1.810 178.046 176.300 -0.107 0.000 1.069 355 M CA 1.821 57.034 55.300 -0.145 0.000 1.110 355 M CB -0.893 31.664 32.600 -0.072 0.000 1.328 355 M HN 0.335 nan 8.290 nan 0.000 0.405 356 H N -0.782 118.247 119.070 -0.070 0.000 2.567 356 H HA 0.038 4.593 4.556 -0.000 0.000 0.276 356 H C 1.481 176.786 175.328 -0.038 0.000 1.016 356 H CA 0.813 56.847 56.048 -0.023 0.000 1.186 356 H CB 0.273 30.042 29.762 0.012 0.000 1.351 356 H HN 0.401 nan 8.280 nan 0.000 0.605 357 A N -0.450 122.382 122.820 0.021 0.000 2.016 357 A HA 0.201 4.521 4.320 -0.000 0.000 0.202 357 A C 2.024 179.628 177.584 0.033 0.000 1.632 357 A CA 0.553 52.619 52.037 0.049 0.000 0.891 357 A CB -0.425 18.633 19.000 0.097 0.000 1.103 357 A HN 0.392 nan 8.150 nan 0.000 0.547 358 E N -1.959 118.236 120.200 -0.009 0.000 2.385 358 E HA 0.304 4.654 4.350 -0.000 0.000 0.194 358 E C 1.281 177.871 176.600 -0.017 0.000 1.013 358 E CA 2.034 58.442 56.400 0.015 0.000 0.866 358 E CB -1.042 28.681 29.700 0.038 0.000 0.832 358 E HN 1.894 nan 8.360 nan 0.000 0.500 359 Q N -2.868 116.899 119.800 -0.054 0.000 2.452 359 Q HA -0.055 4.285 4.340 -0.000 0.000 0.248 359 Q C 0.787 176.730 176.000 -0.095 0.000 0.874 359 Q CA 2.698 58.455 55.803 -0.078 0.000 1.208 359 Q CB -3.008 25.700 28.738 -0.050 0.000 1.569 359 Q HN 1.906 nan 8.270 nan 0.000 0.579 360 K N -1.345 119.006 120.400 -0.081 0.000 2.433 360 K HA 1.019 5.338 4.320 -0.000 0.000 0.252 360 K C -0.350 176.198 176.600 -0.086 0.000 1.015 360 K CA -0.084 56.164 56.287 -0.065 0.000 0.860 360 K CB 1.900 34.396 32.500 -0.006 0.000 1.359 360 K HN 1.660 nan 8.250 nan 0.000 0.452 361 V N 1.499 121.377 119.914 -0.060 0.000 2.612 361 V HA 0.507 4.627 4.120 -0.000 0.000 0.301 361 V C -1.880 174.212 176.094 -0.003 0.000 1.059 361 V CA -0.471 61.780 62.300 -0.082 0.000 0.886 361 V CB 1.733 33.471 31.823 -0.141 0.000 1.007 361 V HN 0.948 nan 8.190 nan 0.000 0.426 362 D N 5.243 125.657 120.400 0.023 0.000 2.434 362 D HA 0.285 4.925 4.640 -0.000 0.000 0.275 362 D C 0.910 177.296 176.300 0.144 0.000 1.172 362 D CA -0.038 54.041 54.000 0.132 0.000 0.916 362 D CB 1.657 42.563 40.800 0.176 0.000 1.041 362 D HN 0.334 nan 8.370 nan 0.000 0.501 363 V N 2.665 122.622 119.914 0.073 0.000 2.255 363 V HA -0.229 3.891 4.120 -0.000 0.000 0.247 363 V C 2.161 178.421 176.094 0.276 0.000 1.051 363 V CA 1.490 63.812 62.300 0.036 0.000 1.018 363 V CB -0.712 30.914 31.823 -0.329 0.000 0.641 363 V HN 0.504 nan 8.190 nan 0.000 0.445 364 F N 1.883 121.987 119.950 0.257 0.000 2.095 364 F HA -0.235 4.292 4.527 -0.000 0.000 0.298 364 F C 2.510 178.429 175.800 0.198 0.000 1.104 364 F CA 2.388 60.544 58.000 0.260 0.000 1.232 364 F CB -0.621 38.482 39.000 0.172 0.000 0.987 364 F HN 0.255 nan 8.300 nan 0.000 0.475 365 E N -0.163 120.231 120.200 0.322 0.000 2.204 365 E HA -0.239 4.111 4.350 -0.000 0.000 0.195 365 E C 1.850 178.524 176.600 0.124 0.000 0.990 365 E CA 1.513 58.030 56.400 0.195 0.000 0.821 365 E CB -1.496 28.357 29.700 0.256 0.000 0.750 365 E HN 0.587 nan 8.360 nan 0.000 0.477 366 F N 0.186 120.151 119.950 0.024 0.000 2.147 366 F HA 0.026 4.552 4.527 -0.001 0.000 0.291 366 F C 2.483 178.266 175.800 -0.028 0.000 1.093 366 F CA 1.189 59.195 58.000 0.011 0.000 1.263 366 F CB -0.138 38.878 39.000 0.027 0.000 1.036 366 F HN 0.068 nan 8.300 nan 0.000 0.481 367 V N 0.489 120.428 119.914 0.042 0.000 2.324 367 V HA -0.349 3.771 4.120 -0.000 0.000 0.250 367 V C 2.891 178.857 176.094 -0.213 0.000 1.060 367 V CA 2.220 64.486 62.300 -0.058 0.000 1.042 367 V CB -1.793 30.108 31.823 0.131 0.000 0.650 367 V HN 0.573 nan 8.190 nan 0.000 0.450 368 S N 0.182 115.704 115.700 -0.296 0.000 2.365 368 S HA -0.309 4.161 4.470 -0.000 0.000 0.225 368 S C 2.304 176.763 174.600 -0.235 0.000 1.039 368 S CA 2.937 60.944 58.200 -0.322 0.000 1.033 368 S CB -0.605 62.348 63.200 -0.411 0.000 0.887 368 S HN 0.577 nan 8.310 nan 0.000 0.447 369 R N 1.370 121.724 120.500 -0.244 0.000 2.070 369 R HA 0.137 4.477 4.340 -0.000 0.000 0.233 369 R C 2.350 178.479 176.300 -0.285 0.000 1.137 369 R CA 1.651 57.607 56.100 -0.241 0.000 0.945 369 R CB -1.761 28.392 30.300 -0.244 0.000 0.845 369 R HN 1.126 nan 8.270 nan 0.000 0.430 370 I N -1.703 118.608 120.570 -0.431 0.000 2.614 370 I HA -0.094 4.075 4.170 -0.000 0.000 0.258 370 I C 2.258 178.260 176.117 -0.192 0.000 1.189 370 I CA 1.322 62.419 61.300 -0.338 0.000 1.462 370 I CB -0.204 37.544 38.000 -0.421 0.000 1.092 370 I HN 0.179 nan 8.210 nan 0.000 0.442 371 R N 1.503 121.892 120.500 -0.185 0.000 2.148 371 R HA -0.076 4.263 4.340 -0.000 0.000 0.227 371 R C 2.283 178.511 176.300 -0.120 0.000 1.103 371 R CA 1.454 57.468 56.100 -0.143 0.000 0.983 371 R CB -0.862 29.345 30.300 -0.155 0.000 0.874 371 R HN 0.735 nan 8.270 nan 0.000 0.451 372 N N 1.078 119.707 118.700 -0.118 0.000 2.571 372 N HA -0.122 4.618 4.740 -0.000 0.000 0.189 372 N C 1.429 176.897 175.510 -0.069 0.000 1.154 372 N CA 0.649 53.645 53.050 -0.091 0.000 0.907 372 N CB -0.122 38.309 38.487 -0.093 0.000 0.977 372 N HN 0.450 nan 8.380 nan 0.000 0.449 373 Q N -1.530 118.233 119.800 -0.062 0.000 2.442 373 Q HA 0.164 4.504 4.340 -0.000 0.000 0.228 373 Q C 0.562 176.553 176.000 -0.016 0.000 0.902 373 Q CA 0.072 55.865 55.803 -0.016 0.000 0.933 373 Q CB 0.849 29.588 28.738 0.002 0.000 1.071 373 Q HN 0.518 nan 8.270 nan 0.000 0.562 374 R N 1.602 122.081 120.500 -0.035 0.000 2.531 374 R HA 0.276 4.615 4.340 -0.000 0.000 0.293 374 R C -2.919 173.354 176.300 -0.045 0.000 1.124 374 R CA -1.856 54.233 56.100 -0.018 0.000 0.945 374 R CB 1.588 31.881 30.300 -0.011 0.000 1.195 374 R HN -0.134 nan 8.270 nan 0.000 0.433 375 P HA -0.076 nan 4.420 nan 0.000 0.270 375 P C -0.736 176.495 177.300 -0.115 0.000 1.227 375 P CA 0.571 63.564 63.100 -0.178 0.000 0.788 375 P CB 0.492 31.933 31.700 -0.433 0.000 0.926 376 Q N -1.997 117.727 119.800 -0.127 0.000 2.481 376 Q HA -0.228 4.112 4.340 -0.000 0.000 0.258 376 Q C 1.120 177.113 176.000 -0.011 0.000 0.961 376 Q CA 0.263 56.038 55.803 -0.047 0.000 1.121 376 Q CB -1.618 27.117 28.738 -0.005 0.000 1.503 376 Q HN 0.365 nan 8.270 nan 0.000 0.544 377 M N -0.172 119.413 119.600 -0.025 0.000 2.110 377 M HA -0.104 4.376 4.480 -0.000 0.000 0.257 377 M C 0.982 177.304 176.300 0.038 0.000 1.071 377 M CA 1.638 56.934 55.300 -0.008 0.000 1.096 377 M CB -0.444 32.138 32.600 -0.029 0.000 1.300 377 M HN 0.174 nan 8.290 nan 0.000 0.411 378 V N 1.031 121.014 119.914 0.115 0.000 2.407 378 V HA 0.087 4.206 4.120 -0.000 0.000 0.278 378 V C 1.145 177.393 176.094 0.256 0.000 1.037 378 V CA -0.400 62.013 62.300 0.188 0.000 0.900 378 V CB 1.538 33.557 31.823 0.326 0.000 0.983 378 V HN 0.377 nan 8.190 nan 0.000 0.459 379 Q N 2.621 122.504 119.800 0.138 0.000 2.200 379 Q HA 0.165 4.504 4.340 -0.000 0.000 0.197 379 Q C 1.149 177.249 176.000 0.167 0.000 0.953 379 Q CA 1.274 57.163 55.803 0.143 0.000 0.851 379 Q CB 0.173 28.921 28.738 0.017 0.000 0.938 379 Q HN 0.971 nan 8.270 nan 0.000 0.488 380 T N -0.380 114.144 114.554 -0.050 0.000 2.928 380 T HA 0.393 4.743 4.350 -0.000 0.000 0.284 380 T C 0.828 175.089 174.700 -0.731 0.000 1.008 380 T CA 0.246 62.225 62.100 -0.200 0.000 1.057 380 T CB 0.451 69.252 68.868 -0.112 0.000 1.018 380 T HN 0.199 nan 8.240 nan 0.000 0.493 381 D N 0.877 120.813 120.400 -0.772 0.000 2.117 381 D HA 0.075 4.714 4.640 -0.000 0.000 0.197 381 D C 2.551 178.642 176.300 -0.349 0.000 0.987 381 D CA 3.375 56.898 54.000 -0.794 0.000 0.829 381 D CB -0.994 39.654 40.800 -0.254 0.000 0.961 381 D HN 0.939 nan 8.370 nan 0.000 0.460 382 M N -0.232 119.253 119.600 -0.190 0.000 2.260 382 M HA -0.132 4.348 4.480 -0.000 0.000 0.261 382 M C 2.211 178.479 176.300 -0.053 0.000 1.066 382 M CA 2.559 57.810 55.300 -0.082 0.000 1.082 382 M CB -1.319 31.252 32.600 -0.050 0.000 1.388 382 M HN 0.566 nan 8.290 nan 0.000 0.419 383 Q N -1.837 117.907 119.800 -0.094 0.000 2.096 383 Q HA -0.096 4.244 4.340 -0.000 0.000 0.197 383 Q C 2.088 178.116 176.000 0.047 0.000 0.964 383 Q CA 1.599 57.398 55.803 -0.006 0.000 0.838 383 Q CB -0.280 28.452 28.738 -0.010 0.000 0.906 383 Q HN 0.899 nan 8.270 nan 0.000 0.444 384 Y N 1.354 121.525 120.300 -0.214 0.000 2.097 384 Y HA -0.281 4.269 4.550 -0.001 0.000 0.282 384 Y C 2.683 178.507 175.900 -0.126 0.000 1.152 384 Y CA 2.294 60.313 58.100 -0.136 0.000 1.136 384 Y CB -0.632 37.704 38.460 -0.207 0.000 0.975 384 Y HN 0.247 nan 8.280 nan 0.000 0.498 385 T N -0.852 113.625 114.554 -0.129 0.000 2.833 385 T HA -0.276 4.074 4.350 -0.000 0.000 0.269 385 T C 1.760 176.390 174.700 -0.115 0.000 1.054 385 T CA 1.547 63.435 62.100 -0.354 0.000 1.135 385 T CB -1.071 67.642 68.868 -0.259 0.000 0.869 385 T HN 0.407 nan 8.240 nan 0.000 0.466 386 F N 1.207 121.065 119.950 -0.153 0.000 2.171 386 F HA 0.031 4.558 4.527 -0.000 0.000 0.300 386 F C 2.027 177.751 175.800 -0.125 0.000 1.090 386 F CA 0.720 58.647 58.000 -0.122 0.000 1.293 386 F CB -0.127 38.799 39.000 -0.123 0.000 1.013 386 F HN 0.229 nan 8.300 nan 0.000 0.486 387 I N -0.926 119.633 120.570 -0.019 0.000 2.208 387 I HA -0.372 3.797 4.170 -0.000 0.000 0.245 387 I C 2.009 177.943 176.117 -0.304 0.000 1.097 387 I CA 1.576 62.761 61.300 -0.192 0.000 1.363 387 I CB -0.674 37.133 38.000 -0.322 0.000 1.051 387 I HN 0.134 nan 8.210 nan 0.000 0.413 388 Y N 0.953 121.071 120.300 -0.305 0.000 2.200 388 Y HA -0.251 4.299 4.550 -0.001 0.000 0.290 388 Y C 2.791 178.597 175.900 -0.156 0.000 1.137 388 Y CA 1.475 59.453 58.100 -0.204 0.000 1.163 388 Y CB -0.439 37.913 38.460 -0.180 0.000 0.988 388 Y HN 0.166 nan 8.280 nan 0.000 0.518 389 Q N -0.463 119.301 119.800 -0.060 0.000 2.061 389 Q HA -0.245 4.095 4.340 -0.000 0.000 0.204 389 Q C 2.573 178.463 176.000 -0.184 0.000 0.984 389 Q CA 1.557 57.287 55.803 -0.122 0.000 0.846 389 Q CB -0.434 28.170 28.738 -0.224 0.000 0.902 389 Q HN 0.533 nan 8.270 nan 0.000 0.421 390 A N 0.872 123.475 122.820 -0.361 0.000 1.883 390 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 390 A C 2.092 179.620 177.584 -0.093 0.000 1.186 390 A CA 1.263 53.130 52.037 -0.282 0.000 0.624 390 A CB -0.804 17.970 19.000 -0.376 0.000 0.822 390 A HN 0.307 nan 8.150 nan 0.000 0.444 391 L N -1.211 119.947 121.223 -0.109 0.000 2.042 391 L HA -0.198 4.141 4.340 -0.000 0.000 0.210 391 L C 2.590 179.504 176.870 0.074 0.000 1.076 391 L CA 1.315 56.138 54.840 -0.028 0.000 0.749 391 L CB -0.502 41.476 42.059 -0.134 0.000 0.893 391 L HN 0.490 nan 8.230 nan 0.000 0.432 392 L N 0.218 121.474 121.223 0.056 0.000 1.994 392 L HA -0.222 4.118 4.340 -0.000 0.000 0.208 392 L C 2.468 179.381 176.870 0.071 0.000 1.071 392 L CA 1.912 56.803 54.840 0.086 0.000 0.745 392 L CB -0.584 41.522 42.059 0.078 0.000 0.892 392 L HN 0.195 nan 8.230 nan 0.000 0.431 393 E N -1.086 119.158 120.200 0.073 0.000 2.086 393 E HA -0.366 3.984 4.350 -0.000 0.000 0.200 393 E C 2.187 178.880 176.600 0.154 0.000 1.012 393 E CA 2.100 58.584 56.400 0.140 0.000 0.812 393 E CB -0.684 29.109 29.700 0.155 0.000 0.743 393 E HN 0.620 nan 8.360 nan 0.000 0.453 394 Y N -0.697 119.627 120.300 0.040 0.000 2.497 394 Y HA -0.133 4.417 4.550 -0.001 0.000 0.292 394 Y C 1.702 177.625 175.900 0.038 0.000 1.137 394 Y CA 1.421 59.546 58.100 0.041 0.000 1.285 394 Y CB -0.216 38.250 38.460 0.010 0.000 0.991 394 Y HN 0.274 nan 8.280 nan 0.000 0.556 395 Y N -0.805 119.370 120.300 -0.209 0.000 2.222 395 Y HA 0.038 4.588 4.550 -0.001 0.000 0.290 395 Y C 2.505 178.207 175.900 -0.330 0.000 1.123 395 Y CA 1.985 59.901 58.100 -0.306 0.000 1.120 395 Y CB -0.885 37.464 38.460 -0.185 0.000 1.060 395 Y HN -0.052 nan 8.280 nan 0.000 0.508 396 L N -0.354 120.578 121.223 -0.485 0.000 2.013 396 L HA -0.197 4.143 4.340 -0.000 0.000 0.212 396 L C 2.106 178.514 176.870 -0.769 0.000 1.073 396 L CA 2.933 57.306 54.840 -0.778 0.000 0.753 396 L CB -2.103 39.418 42.059 -0.897 0.000 0.890 396 L HN 0.627 nan 8.230 nan 0.000 0.432 397 Y N -1.294 118.878 120.300 -0.214 0.000 2.558 397 Y HA 0.413 4.963 4.550 -0.000 0.000 0.273 397 Y C 2.264 178.031 175.900 -0.222 0.000 1.100 397 Y CA 0.099 58.057 58.100 -0.236 0.000 1.276 397 Y CB -0.421 38.017 38.460 -0.037 0.000 1.196 397 Y HN 0.429 nan 8.280 nan 0.000 0.527 398 G N 1.657 110.396 108.800 -0.100 0.000 2.787 398 G HA2 -0.517 3.443 3.960 -0.000 0.000 0.374 398 G HA3 -0.517 3.443 3.960 -0.000 0.000 0.374 398 G C 0.480 175.332 174.900 -0.080 0.000 1.003 398 G CA 1.226 46.172 45.100 -0.257 0.000 0.833 398 G HN 0.505 nan 8.290 nan 0.000 0.824 399 D N 0.172 120.496 120.400 -0.126 0.000 2.435 399 D HA 0.520 5.160 4.640 -0.000 0.000 0.230 399 D C 1.363 177.658 176.300 -0.009 0.000 1.215 399 D CA 1.008 54.995 54.000 -0.022 0.000 0.947 399 D CB -0.503 40.285 40.800 -0.021 0.000 1.048 399 D HN 1.101 nan 8.370 nan 0.000 0.512 400 T N -3.533 111.051 114.554 0.050 0.000 3.058 400 T HA 0.472 4.821 4.350 -0.000 0.000 0.278 400 T C 0.923 175.702 174.700 0.131 0.000 0.974 400 T CA 0.749 62.903 62.100 0.089 0.000 0.893 400 T CB -0.001 68.935 68.868 0.114 0.000 1.138 400 T HN 0.743 nan 8.240 nan 0.000 0.529 401 E N 0.550 120.820 120.200 0.117 0.000 2.390 401 E HA 0.743 5.093 4.350 -0.000 0.000 0.261 401 E C -0.179 176.472 176.600 0.085 0.000 1.076 401 E CA -0.005 56.457 56.400 0.104 0.000 0.905 401 E CB 0.291 30.054 29.700 0.106 0.000 0.984 401 E HN 1.372 nan 8.360 nan 0.000 0.427 402 L N -0.870 120.396 121.223 0.072 0.000 2.469 402 L HA 0.867 5.207 4.340 -0.000 0.000 0.256 402 L C -0.016 176.881 176.870 0.045 0.000 1.006 402 L CA -0.460 54.416 54.840 0.060 0.000 0.832 402 L CB 1.036 43.137 42.059 0.070 0.000 1.421 402 L HN 1.173 nan 8.230 nan 0.000 0.410 403 D N -0.357 120.066 120.400 0.038 0.000 2.225 403 D HA 0.726 5.366 4.640 -0.000 0.000 0.249 403 D C 1.344 177.663 176.300 0.030 0.000 1.052 403 D CA 0.312 54.331 54.000 0.032 0.000 0.909 403 D CB 1.742 42.559 40.800 0.029 0.000 1.186 403 D HN 2.254 nan 8.370 nan 0.000 0.431 404 V N 0.249 120.180 119.914 0.029 0.000 2.688 404 V HA 0.093 4.213 4.120 -0.000 0.000 0.256 404 V C 2.816 178.928 176.094 0.030 0.000 1.084 404 V CA 3.376 65.697 62.300 0.036 0.000 1.103 404 V CB -1.338 30.512 31.823 0.046 0.000 0.688 404 V HN 0.950 nan 8.190 nan 0.000 0.480 405 S N 0.506 116.221 115.700 0.024 0.000 2.353 405 S HA 0.098 4.567 4.470 -0.000 0.000 0.222 405 S C 1.786 176.397 174.600 0.018 0.000 1.035 405 S CA 1.793 60.004 58.200 0.018 0.000 1.025 405 S CB -0.754 62.456 63.200 0.016 0.000 0.902 405 S HN 1.418 nan 8.310 nan 0.000 0.440 426 L N 2.215 123.461 121.223 0.039 0.000 2.209 426 L HA 0.325 4.664 4.340 -0.000 0.000 0.207 426 L C 3.087 180.098 176.870 0.235 0.000 1.094 426 L CA 2.428 57.374 54.840 0.178 0.000 0.790 426 L CB -0.935 41.216 42.059 0.154 0.000 0.932 426 L HN 0.440 nan 8.230 nan 0.000 0.447 427 E N 0.638 120.920 120.200 0.138 0.000 2.070 427 E HA -0.305 4.044 4.350 -0.000 0.000 0.197 427 E C 2.191 178.880 176.600 0.148 0.000 1.004 427 E CA 2.116 58.592 56.400 0.127 0.000 0.805 427 E CB -1.199 28.544 29.700 0.072 0.000 0.744 427 E HN 0.626 nan 8.360 nan 0.000 0.451 428 E N 0.921 121.184 120.200 0.105 0.000 2.051 428 E HA -0.239 4.111 4.350 -0.000 0.000 0.192 428 E C 2.028 178.689 176.600 0.102 0.000 0.991 428 E CA 1.418 57.867 56.400 0.081 0.000 0.799 428 E CB -0.687 29.034 29.700 0.035 0.000 0.748 428 E HN 0.811 nan 8.360 nan 0.000 0.449 429 E N -1.013 119.265 120.200 0.129 0.000 2.048 429 E HA -0.161 4.189 4.350 -0.000 0.000 0.202 429 E C 1.995 178.691 176.600 0.160 0.000 1.021 429 E CA 1.500 58.004 56.400 0.172 0.000 0.825 429 E CB -0.364 29.550 29.700 0.356 0.000 0.756 429 E HN 0.587 nan 8.360 nan 0.000 0.454 430 F N 1.174 121.049 119.950 -0.124 0.000 2.161 430 F HA -0.260 4.266 4.527 -0.001 0.000 0.300 430 F C 2.692 178.429 175.800 -0.106 0.000 1.089 430 F CA 2.277 60.085 58.000 -0.320 0.000 1.282 430 F CB -0.296 38.520 39.000 -0.306 0.000 1.010 430 F HN -0.100 nan 8.300 nan 0.000 0.485 431 R N 0.652 121.218 120.500 0.111 0.000 2.120 431 R HA -0.090 4.250 4.340 -0.000 0.000 0.234 431 R C 2.211 178.503 176.300 -0.013 0.000 1.123 431 R CA 2.060 58.189 56.100 0.049 0.000 0.975 431 R CB -2.015 28.344 30.300 0.098 0.000 0.866 431 R HN 0.482 nan 8.270 nan 0.000 0.446 432 K N 0.904 121.330 120.400 0.043 0.000 2.097 432 K HA 0.209 4.529 4.320 -0.000 0.000 0.205 432 K C 2.323 178.933 176.600 0.016 0.000 1.050 432 K CA 1.324 57.680 56.287 0.116 0.000 0.938 432 K CB -0.590 32.074 32.500 0.273 0.000 0.718 432 K HN 0.476 nan 8.250 nan 0.000 0.442 433 L N 0.838 121.983 121.223 -0.131 0.000 2.093 433 L HA -0.100 4.239 4.340 -0.000 0.000 0.208 433 L C 2.486 179.128 176.870 -0.381 0.000 1.085 433 L CA 1.511 56.138 54.840 -0.356 0.000 0.755 433 L CB -0.394 41.324 42.059 -0.569 0.000 0.904 433 L HN 0.330 nan 8.230 nan 0.000 0.435 434 T N -0.458 113.824 114.554 -0.453 0.000 3.113 434 T HA -0.043 4.307 4.350 -0.000 0.000 0.263 434 T C 1.010 175.632 174.700 -0.131 0.000 1.143 434 T CA 0.668 62.580 62.100 -0.313 0.000 1.090 434 T CB -0.233 68.470 68.868 -0.275 0.000 0.922 434 T HN 0.229 nan 8.240 nan 0.000 0.521 435 N N 0.791 119.433 118.700 -0.096 0.000 2.238 435 N HA 0.219 4.959 4.740 -0.000 0.000 0.222 435 N C -0.006 175.487 175.510 -0.029 0.000 1.133 435 N CA -0.049 52.983 53.050 -0.031 0.000 0.854 435 N CB 0.318 38.813 38.487 0.014 0.000 1.041 435 N HN 0.348 nan 8.380 nan 0.000 0.510 436 V N 0.459 120.326 119.914 -0.078 0.000 2.326 436 V HA 0.541 4.661 4.120 -0.000 0.000 0.249 436 V C 1.204 177.268 176.094 -0.051 0.000 1.114 436 V CA -0.663 61.594 62.300 -0.072 0.000 1.028 436 V CB -1.273 30.474 31.823 -0.127 0.000 1.170 436 V HN 0.335 nan 8.190 nan 0.000 0.494 437 R N 4.797 125.285 120.500 -0.020 0.000 2.587 437 R HA 0.324 4.664 4.340 -0.000 0.000 0.268 437 R C -0.016 176.289 176.300 0.009 0.000 0.978 437 R CA 0.606 56.703 56.100 -0.004 0.000 1.097 437 R CB -0.389 29.914 30.300 0.005 0.000 0.917 437 R HN 0.887 nan 8.270 nan 0.000 0.414 438 I N 2.015 122.604 120.570 0.033 0.000 2.325 438 I HA 0.290 4.460 4.170 -0.000 0.000 0.291 438 I C 1.507 177.712 176.117 0.147 0.000 1.019 438 I CA -0.244 61.124 61.300 0.113 0.000 1.302 438 I CB 1.570 39.601 38.000 0.052 0.000 1.401 438 I HN 0.876 nan 8.210 nan 0.000 0.485 439 M N 5.706 125.426 119.600 0.201 0.000 3.282 439 M HA 0.165 4.645 4.480 -0.000 0.000 0.242 439 M C 1.421 177.839 176.300 0.197 0.000 1.568 439 M CA 0.717 56.072 55.300 0.093 0.000 1.668 439 M CB -1.709 30.780 32.600 -0.184 0.000 1.236 439 M HN 0.894 nan 8.290 nan 0.000 0.527 440 K N 0.942 121.420 120.400 0.130 0.000 2.015 440 K HA -0.130 4.190 4.320 -0.000 0.000 0.216 440 K C 2.056 178.721 176.600 0.107 0.000 1.052 440 K CA 2.867 59.220 56.287 0.111 0.000 0.937 440 K CB -1.686 30.857 32.500 0.071 0.000 0.719 440 K HN 1.331 nan 8.250 nan 0.000 0.446 441 E N 0.036 120.284 120.200 0.081 0.000 2.338 441 E HA -0.066 4.284 4.350 -0.000 0.000 0.197 441 E C 1.918 178.573 176.600 0.091 0.000 1.007 441 E CA 1.413 57.855 56.400 0.070 0.000 0.849 441 E CB -1.589 28.140 29.700 0.047 0.000 0.774 441 E HN 0.936 nan 8.360 nan 0.000 0.506 442 N N -0.317 118.459 118.700 0.125 0.000 2.398 442 N HA 0.266 5.006 4.740 -0.000 0.000 0.188 442 N C 1.457 177.117 175.510 0.250 0.000 1.122 442 N CA 0.700 53.853 53.050 0.171 0.000 0.866 442 N CB -0.280 38.286 38.487 0.132 0.000 0.970 442 N HN 0.463 nan 8.380 nan 0.000 0.462 443 M N 0.282 120.007 119.600 0.208 0.000 2.869 443 M HA 0.206 4.685 4.480 -0.000 0.000 0.338 443 M C 2.274 178.629 176.300 0.091 0.000 1.227 443 M CA -0.157 55.240 55.300 0.162 0.000 0.946 443 M CB 0.774 33.447 32.600 0.122 0.000 1.299 443 M HN 0.497 nan 8.290 nan 0.000 0.518 444 R N 0.553 121.106 120.500 0.088 0.000 2.061 444 R HA -0.041 4.299 4.340 -0.000 0.000 0.230 444 R C 2.160 178.476 176.300 0.027 0.000 1.140 444 R CA 2.461 58.593 56.100 0.053 0.000 0.940 444 R CB -2.088 28.247 30.300 0.059 0.000 0.839 444 R HN 0.570 nan 8.270 nan 0.000 0.429 445 T N -0.118 114.469 114.554 0.055 0.000 2.635 445 T HA -0.144 4.206 4.350 -0.000 0.000 0.265 445 T C 2.440 177.058 174.700 -0.137 0.000 1.058 445 T CA 2.942 65.066 62.100 0.039 0.000 1.162 445 T CB -1.113 67.840 68.868 0.141 0.000 0.859 445 T HN 0.719 nan 8.240 nan 0.000 0.449 446 G N -0.007 108.719 108.800 -0.123 0.000 2.572 446 G HA2 -0.061 3.899 3.960 -0.000 0.000 0.216 446 G HA3 -0.061 3.899 3.960 -0.000 0.000 0.216 446 G C 1.640 176.380 174.900 -0.266 0.000 1.133 446 G CA 0.705 45.583 45.100 -0.370 0.000 0.791 446 G HN 0.592 nan 8.290 nan 0.000 0.538 447 N N 0.247 118.870 118.700 -0.129 0.000 2.412 447 N HA 0.072 4.812 4.740 -0.000 0.000 0.184 447 N C 1.300 176.747 175.510 -0.104 0.000 1.101 447 N CA 0.253 53.249 53.050 -0.090 0.000 0.881 447 N CB 0.046 38.514 38.487 -0.031 0.000 0.969 447 N HN 0.317 nan 8.380 nan 0.000 0.459 448 L N 1.269 122.413 121.223 -0.131 0.000 2.483 448 L HA 0.165 4.505 4.340 -0.000 0.000 0.276 448 L C -0.819 175.927 176.870 -0.208 0.000 1.213 448 L CA -0.845 53.923 54.840 -0.120 0.000 0.843 448 L CB -1.188 40.848 42.059 -0.039 0.000 1.107 448 L HN -0.056 nan 8.230 nan 0.000 0.487 449 P HA -0.166 nan 4.420 nan 0.000 0.215 449 P C 1.821 178.959 177.300 -0.269 0.000 1.157 449 P CA 2.327 65.306 63.100 -0.201 0.000 0.874 449 P CB 0.137 31.735 31.700 -0.169 0.000 0.790 450 A N -0.546 121.998 122.820 -0.460 0.000 2.024 450 A HA -0.194 4.125 4.320 -0.000 0.000 0.220 450 A C 1.887 179.295 177.584 -0.294 0.000 1.164 450 A CA 1.805 53.568 52.037 -0.458 0.000 0.643 450 A CB -1.180 17.295 19.000 -0.875 0.000 0.806 450 A HN 0.162 nan 8.150 nan 0.000 0.451 451 N N -1.582 116.917 118.700 -0.335 0.000 2.299 451 N HA 0.081 4.821 4.740 -0.000 0.000 0.187 451 N C 1.738 177.114 175.510 -0.223 0.000 1.099 451 N CA 1.171 54.025 53.050 -0.326 0.000 0.867 451 N CB -0.266 37.745 38.487 -0.793 0.000 0.974 451 N HN 0.536 nan 8.380 nan 0.000 0.477 452 M N 1.186 120.682 119.600 -0.173 0.000 2.117 452 M HA -0.076 4.404 4.480 -0.000 0.000 0.262 452 M C 2.544 178.827 176.300 -0.027 0.000 1.065 452 M CA 2.480 57.723 55.300 -0.094 0.000 1.114 452 M CB -1.976 30.572 32.600 -0.088 0.000 1.361 452 M HN 0.364 nan 8.290 nan 0.000 0.408 453 K N 0.882 121.275 120.400 -0.011 0.000 2.211 453 K HA -0.159 4.160 4.320 -0.000 0.000 0.204 453 K C 1.962 178.660 176.600 0.164 0.000 1.047 453 K CA 2.107 58.436 56.287 0.071 0.000 0.935 453 K CB -1.022 31.525 32.500 0.078 0.000 0.728 453 K HN 0.864 nan 8.250 nan 0.000 0.452 454 K N -0.543 119.911 120.400 0.091 0.000 2.393 454 K HA 0.290 4.609 4.320 -0.000 0.000 0.193 454 K C 0.664 177.284 176.600 0.034 0.000 1.026 454 K CA 0.309 56.614 56.287 0.029 0.000 1.064 454 K CB 0.641 33.197 32.500 0.093 0.000 0.833 454 K HN 0.380 nan 8.250 nan 0.000 0.521 455 A N 1.126 123.988 122.820 0.071 0.000 2.301 455 A HA 0.291 4.611 4.320 -0.000 0.000 0.312 455 A C 0.517 178.110 177.584 0.015 0.000 1.182 455 A CA -0.546 51.517 52.037 0.044 0.000 0.826 455 A CB 0.765 19.804 19.000 0.066 0.000 1.134 455 A HN 0.148 nan 8.150 nan 0.000 0.501 456 R N 0.780 121.275 120.500 -0.009 0.000 2.115 456 R HA 0.034 4.374 4.340 -0.000 0.000 0.230 456 R C -0.442 175.851 176.300 -0.013 0.000 1.111 456 R CA 1.110 57.204 56.100 -0.009 0.000 0.976 456 R CB 0.052 30.338 30.300 -0.024 0.000 0.870 456 R HN 0.486 nan 8.270 nan 0.000 0.445 457 V N 0.442 120.346 119.914 -0.018 0.000 2.447 457 V HA 0.157 4.277 4.120 -0.000 0.000 0.292 457 V C 1.291 177.376 176.094 -0.015 0.000 1.021 457 V CA -0.224 62.061 62.300 -0.024 0.000 0.850 457 V CB 1.253 33.052 31.823 -0.041 0.000 1.005 457 V HN 0.150 nan 8.190 nan 0.000 0.426 458 I N 3.338 123.901 120.570 -0.012 0.000 2.399 458 I HA -0.160 4.010 4.170 -0.000 0.000 0.254 458 I C 2.291 178.407 176.117 -0.001 0.000 1.146 458 I CA 2.895 64.191 61.300 -0.007 0.000 1.412 458 I CB -1.387 36.607 38.000 -0.011 0.000 1.076 458 I HN 0.885 nan 8.210 nan 0.000 0.432 459 Q N -0.054 119.744 119.800 -0.003 0.000 2.389 459 Q HA 0.371 4.711 4.340 -0.000 0.000 0.204 459 Q C 1.243 177.277 176.000 0.058 0.000 0.944 459 Q CA 1.026 56.844 55.803 0.025 0.000 0.908 459 Q CB -0.370 28.368 28.738 0.000 0.000 1.002 459 Q HN 0.925 nan 8.270 nan 0.000 0.493 460 I N 1.021 121.602 120.570 0.017 0.000 2.442 460 I HA 0.480 4.650 4.170 -0.000 0.000 0.279 460 I C -0.698 175.400 176.117 -0.031 0.000 1.081 460 I CA -0.253 61.056 61.300 0.016 0.000 1.197 460 I CB 0.668 38.669 38.000 0.001 0.000 1.394 460 I HN 0.246 nan 8.210 nan 0.000 0.488 461 I N 6.453 126.985 120.570 -0.064 0.000 2.865 461 I HA 0.466 4.636 4.170 -0.000 0.000 0.302 461 I C -2.358 173.673 176.117 -0.143 0.000 1.140 461 I CA -2.204 59.067 61.300 -0.047 0.000 1.021 461 I CB 3.759 41.766 38.000 0.012 0.000 1.233 461 I HN 0.175 nan 8.210 nan 0.000 0.427 462 P HA 0.095 nan 4.420 nan 0.000 0.271 462 P C -1.269 175.949 177.300 -0.137 0.000 1.216 462 P CA 0.059 63.053 63.100 -0.177 0.000 0.776 462 P CB 0.286 31.897 31.700 -0.148 0.000 0.881 463 Y N -0.200 120.043 120.300 -0.095 0.000 2.497 463 Y HA 0.114 4.664 4.550 -0.001 0.000 0.334 463 Y C 2.339 178.182 175.900 -0.094 0.000 1.199 463 Y CA 1.205 59.281 58.100 -0.041 0.000 1.425 463 Y CB -0.837 37.642 38.460 0.033 0.000 1.291 463 Y HN 0.513 nan 8.280 nan 0.000 0.562 464 D N 3.188 123.724 120.400 0.226 0.000 2.182 464 D HA -0.233 4.407 4.640 -0.000 0.000 0.201 464 D C 1.653 178.022 176.300 0.116 0.000 0.986 464 D CA 1.850 55.941 54.000 0.152 0.000 0.847 464 D CB -0.912 39.991 40.800 0.172 0.000 0.942 464 D HN 0.649 nan 8.370 nan 0.000 0.467 465 F N 1.107 121.108 119.950 0.085 0.000 2.293 465 F HA 0.084 4.611 4.527 -0.000 0.000 0.297 465 F C 1.182 177.005 175.800 0.038 0.000 1.089 465 F CA 1.054 59.075 58.000 0.036 0.000 1.377 465 F CB -0.011 38.975 39.000 -0.023 0.000 1.051 465 F HN 0.193 nan 8.300 nan 0.000 0.511 466 N N 1.062 119.247 118.700 -0.859 0.000 2.416 466 N HA 0.110 4.850 4.740 -0.000 0.000 0.267 466 N C -0.443 174.901 175.510 -0.277 0.000 1.294 466 N CA -0.674 52.075 53.050 -0.501 0.000 0.891 466 N CB -0.341 37.754 38.487 -0.653 0.000 1.238 466 N HN 0.571 nan 8.380 nan 0.000 0.508 467 R N -0.875 119.499 120.500 -0.210 0.000 2.528 467 R HA 0.554 4.894 4.340 -0.000 0.000 0.271 467 R C -0.801 175.380 176.300 -0.199 0.000 1.056 467 R CA -0.739 55.235 56.100 -0.210 0.000 1.117 467 R CB 0.747 30.974 30.300 -0.122 0.000 1.085 467 R HN -0.154 nan 8.270 nan 0.000 0.530 468 V N 2.680 122.367 119.914 -0.379 0.000 2.322 468 V HA 0.279 4.399 4.120 -0.000 0.000 0.258 468 V C 0.956 176.987 176.094 -0.106 0.000 1.074 468 V CA -0.123 61.905 62.300 -0.454 0.000 0.909 468 V CB 0.203 31.502 31.823 -0.874 0.000 1.090 468 V HN 0.721 nan 8.190 nan 0.000 0.486 469 I N 5.763 126.403 120.570 0.116 0.000 2.638 469 I HA 0.677 4.847 4.170 -0.000 0.000 0.286 469 I C -0.048 176.266 176.117 0.328 0.000 1.088 469 I CA -0.119 61.299 61.300 0.197 0.000 1.397 469 I CB 0.382 38.506 38.000 0.206 0.000 1.414 469 I HN 0.640 nan 8.210 nan 0.000 0.566 470 L N 3.772 125.121 121.223 0.210 0.000 2.301 470 L HA 0.759 5.098 4.340 -0.000 0.000 0.264 470 L C 0.980 177.918 176.870 0.112 0.000 1.016 470 L CA -0.882 54.068 54.840 0.183 0.000 0.821 470 L CB 1.455 43.593 42.059 0.132 0.000 1.346 470 L HN 0.919 nan 8.230 nan 0.000 0.429 471 S N 0.873 116.615 115.700 0.071 0.000 2.549 471 S HA 0.543 5.012 4.470 -0.000 0.000 0.286 471 S C 0.270 174.899 174.600 0.049 0.000 1.314 471 S CA 0.197 58.424 58.200 0.046 0.000 1.062 471 S CB 0.258 63.471 63.200 0.023 0.000 0.865 471 S HN 0.530 nan 8.310 nan 0.000 0.498 479 T N -1.912 112.736 114.554 0.158 0.000 3.118 479 T HA -0.024 4.326 4.350 -0.000 0.000 0.260 479 T C 1.731 176.508 174.700 0.128 0.000 1.139 479 T CA 1.362 63.539 62.100 0.129 0.000 1.085 479 T CB -0.244 68.674 68.868 0.085 0.000 0.934 479 T HN 0.655 nan 8.240 nan 0.000 0.518 480 D N 0.296 120.778 120.400 0.137 0.000 2.350 480 D HA -0.016 4.624 4.640 -0.000 0.000 0.216 480 D C 0.424 176.826 176.300 0.169 0.000 0.968 480 D CA 0.244 54.326 54.000 0.137 0.000 0.894 480 D CB -0.508 40.364 40.800 0.121 0.000 0.909 480 D HN 0.575 nan 8.370 nan 0.000 0.520 481 Y N -0.412 119.924 120.300 0.059 0.000 2.330 481 Y HA 0.583 5.133 4.550 -0.001 0.000 0.336 481 Y C -0.575 175.322 175.900 -0.004 0.000 1.036 481 Y CA -1.480 56.639 58.100 0.032 0.000 1.125 481 Y CB 1.193 39.683 38.460 0.051 0.000 1.194 481 Y HN 0.177 nan 8.280 nan 0.000 0.469 482 I N 5.993 126.101 120.570 -0.770 0.000 2.656 482 I HA 0.271 4.441 4.170 -0.000 0.000 0.292 482 I C -1.142 174.393 176.117 -0.970 0.000 1.144 482 I CA -0.953 59.937 61.300 -0.682 0.000 1.038 482 I CB 1.585 39.387 38.000 -0.329 0.000 1.244 482 I HN 0.666 nan 8.210 nan 0.000 0.420 483 N N 6.408 124.697 118.700 -0.686 0.000 2.498 483 N HA 0.405 5.145 4.740 -0.000 0.000 0.277 483 N C -1.170 174.141 175.510 -0.332 0.000 1.208 483 N CA 0.304 53.095 53.050 -0.433 0.000 1.029 483 N CB -0.033 38.355 38.487 -0.164 0.000 1.403 483 N HN 0.651 nan 8.380 nan 0.000 0.500 484 A N 1.607 124.200 122.820 -0.378 0.000 2.540 484 A HA 0.613 4.932 4.320 -0.000 0.000 0.297 484 A C -1.018 176.321 177.584 -0.409 0.000 1.056 484 A CA -0.702 51.116 52.037 -0.365 0.000 0.700 484 A CB 1.123 19.876 19.000 -0.412 0.000 1.280 484 A HN 0.332 nan 8.150 nan 0.000 0.398 485 S N 0.840 116.314 115.700 -0.376 0.000 2.532 485 S HA 0.692 5.161 4.470 -0.000 0.000 0.299 485 S C -0.934 173.450 174.600 -0.360 0.000 1.105 485 S CA -0.299 57.687 58.200 -0.357 0.000 1.018 485 S CB 0.536 63.596 63.200 -0.233 0.000 1.021 485 S HN 0.461 nan 8.310 nan 0.000 0.483 486 F N 2.684 122.492 119.950 -0.237 0.000 2.504 486 F HA 0.388 4.914 4.527 -0.001 0.000 0.369 486 F C 0.402 176.153 175.800 -0.082 0.000 1.082 486 F CA -0.208 57.683 58.000 -0.181 0.000 1.216 486 F CB 0.131 38.985 39.000 -0.243 0.000 1.108 486 F HN 0.323 nan 8.300 nan 0.000 0.554 487 I N 3.582 124.292 120.570 0.232 0.000 2.465 487 I HA 0.221 4.391 4.170 -0.000 0.000 0.291 487 I C -0.668 175.633 176.117 0.308 0.000 1.014 487 I CA -1.033 60.400 61.300 0.221 0.000 1.093 487 I CB 1.605 39.721 38.000 0.194 0.000 1.267 487 I HN 0.374 nan 8.210 nan 0.000 0.431 488 D N 4.492 125.025 120.400 0.221 0.000 2.382 488 D HA 0.298 4.938 4.640 -0.000 0.000 0.245 488 D C 0.407 176.883 176.300 0.293 0.000 1.120 488 D CA 0.248 54.362 54.000 0.189 0.000 0.890 488 D CB 1.394 42.255 40.800 0.102 0.000 1.201 488 D HN 0.669 nan 8.370 nan 0.000 0.433 489 G N 0.141 109.085 108.800 0.240 0.000 2.531 489 G HA2 0.079 4.038 3.960 -0.000 0.000 0.281 489 G HA3 0.079 4.038 3.960 -0.000 0.000 0.281 489 G C 0.290 175.269 174.900 0.133 0.000 1.382 489 G CA -0.298 44.974 45.100 0.288 0.000 1.045 489 G HN 0.505 nan 8.290 nan 0.000 0.533 490 Y N -0.455 119.827 120.300 -0.030 0.000 2.286 490 Y HA 0.095 4.645 4.550 -0.001 0.000 0.293 490 Y C 2.783 178.585 175.900 -0.163 0.000 1.124 490 Y CA 1.550 59.602 58.100 -0.081 0.000 1.178 490 Y CB 0.183 38.595 38.460 -0.079 0.000 1.010 490 Y HN 0.372 nan 8.280 nan 0.000 0.536 491 R N -0.176 120.096 120.500 -0.380 0.000 2.225 491 R HA 0.158 4.497 4.340 -0.000 0.000 0.194 491 R C -0.239 175.824 176.300 -0.394 0.000 0.957 491 R CA 0.495 56.302 56.100 -0.489 0.000 1.042 491 R CB 0.375 30.444 30.300 -0.386 0.000 1.004 491 R HN 0.357 nan 8.270 nan 0.000 0.509 492 Q N -0.457 119.127 119.800 -0.361 0.000 2.377 492 Q HA 0.489 4.829 4.340 -0.000 0.000 0.279 492 Q C -1.327 174.581 176.000 -0.153 0.000 1.049 492 Q CA -0.900 54.747 55.803 -0.259 0.000 0.825 492 Q CB 1.330 29.914 28.738 -0.257 0.000 1.401 492 Q HN -0.123 nan 8.270 nan 0.000 0.404 493 K N 0.794 121.128 120.400 -0.110 0.000 2.319 493 K HA 0.153 4.473 4.320 -0.000 0.000 0.265 493 K C 0.132 176.704 176.600 -0.047 0.000 1.000 493 K CA 0.594 56.847 56.287 -0.056 0.000 0.943 493 K CB -0.490 31.969 32.500 -0.068 0.000 0.950 493 K HN 0.813 nan 8.250 nan 0.000 0.485 494 D N -0.864 119.527 120.400 -0.015 0.000 2.699 494 D HA -0.181 4.458 4.640 -0.000 0.000 0.239 494 D C 0.080 176.418 176.300 0.064 0.000 1.136 494 D CA 1.327 55.300 54.000 -0.045 0.000 0.668 494 D CB -1.494 39.038 40.800 -0.448 0.000 1.060 494 D HN 0.739 nan 8.370 nan 0.000 0.429 495 Y N -0.431 119.812 120.300 -0.095 0.000 2.503 495 Y HA 0.246 4.796 4.550 -0.001 0.000 0.278 495 Y C 0.164 175.793 175.900 -0.452 0.000 1.111 495 Y CA 0.316 58.228 58.100 -0.312 0.000 1.270 495 Y CB 0.463 38.626 38.460 -0.495 0.000 1.063 495 Y HN 0.011 nan 8.280 nan 0.000 0.548 496 F N 0.483 120.473 119.950 0.066 0.000 2.520 496 F HA 0.436 4.962 4.527 -0.000 0.000 0.322 496 F C -0.526 175.267 175.800 -0.012 0.000 1.103 496 F CA -1.187 56.797 58.000 -0.027 0.000 0.926 496 F CB 1.404 40.416 39.000 0.021 0.000 1.154 496 F HN -0.425 nan 8.300 nan 0.000 0.453 497 I N 3.148 123.756 120.570 0.063 0.000 2.291 497 I HA 0.354 4.524 4.170 -0.000 0.000 0.290 497 I C -0.070 175.990 176.117 -0.094 0.000 1.050 497 I CA -0.539 60.657 61.300 -0.172 0.000 1.245 497 I CB 0.868 38.681 38.000 -0.312 0.000 1.405 497 I HN 0.682 nan 8.210 nan 0.000 0.478 498 A N 5.238 127.997 122.820 -0.102 0.000 2.343 498 A HA 0.492 4.812 4.320 -0.000 0.000 0.305 498 A C 0.109 177.616 177.584 -0.128 0.000 1.308 498 A CA -0.103 51.886 52.037 -0.080 0.000 0.949 498 A CB 0.352 19.312 19.000 -0.066 0.000 1.148 498 A HN 0.633 nan 8.150 nan 0.000 0.545 499 T N 1.544 116.046 114.554 -0.086 0.000 2.930 499 T HA 0.513 4.862 4.350 -0.000 0.000 0.290 499 T C 0.080 174.742 174.700 -0.064 0.000 1.052 499 T CA -0.591 61.445 62.100 -0.107 0.000 1.017 499 T CB 0.948 69.755 68.868 -0.102 0.000 1.137 499 T HN 0.834 nan 8.240 nan 0.000 0.511 500 Q N 1.345 121.081 119.800 -0.107 0.000 2.368 500 Q HA 0.519 4.858 4.340 -0.000 0.000 0.237 500 Q C 0.495 176.399 176.000 -0.160 0.000 0.987 500 Q CA -0.807 54.939 55.803 -0.095 0.000 0.896 500 Q CB 0.216 28.891 28.738 -0.105 0.000 1.241 500 Q HN 0.749 nan 8.270 nan 0.000 0.485 501 G N 2.287 111.039 108.800 -0.080 0.000 2.343 501 G HA2 0.306 4.265 3.960 -0.000 0.000 0.254 501 G HA3 0.306 4.265 3.960 -0.000 0.000 0.254 501 G C -2.373 172.354 174.900 -0.288 0.000 1.277 501 G CA -0.953 44.047 45.100 -0.166 0.000 0.909 501 G HN 0.497 nan 8.290 nan 0.000 0.502 502 P HA 0.148 nan 4.420 nan 0.000 0.270 502 P C -0.037 177.148 177.300 -0.193 0.000 1.223 502 P CA -0.171 62.658 63.100 -0.451 0.000 0.785 502 P CB 0.773 32.031 31.700 -0.737 0.000 0.923 503 L N 0.851 121.945 121.223 -0.215 0.000 2.352 503 L HA 0.477 4.817 4.340 -0.000 0.000 0.269 503 L C 1.706 178.392 176.870 -0.307 0.000 1.034 503 L CA -0.746 54.007 54.840 -0.144 0.000 0.806 503 L CB 0.876 42.876 42.059 -0.099 0.000 1.244 503 L HN 0.331 nan 8.230 nan 0.000 0.447 504 A N 0.294 122.862 122.820 -0.420 0.000 2.084 504 A HA -0.194 4.126 4.320 -0.000 0.000 0.221 504 A C 1.397 178.759 177.584 -0.369 0.000 1.161 504 A CA 1.670 53.190 52.037 -0.862 0.000 0.653 504 A CB -0.833 17.785 19.000 -0.637 0.000 0.802 504 A HN 0.864 nan 8.150 nan 0.000 0.457 505 H N -1.382 117.508 119.070 -0.301 0.000 2.488 505 H HA 0.274 4.829 4.556 -0.001 0.000 0.294 505 H C 0.384 175.631 175.328 -0.135 0.000 1.088 505 H CA 0.800 56.739 56.048 -0.181 0.000 1.086 505 H CB -0.946 28.743 29.762 -0.122 0.000 1.569 505 H HN 0.375 nan 8.280 nan 0.000 0.548 506 T N -2.733 111.602 114.554 -0.364 0.000 3.488 506 T HA 0.147 4.497 4.350 -0.000 0.000 0.312 506 T C 1.247 175.840 174.700 -0.179 0.000 0.931 506 T CA 0.356 62.284 62.100 -0.287 0.000 0.982 506 T CB -0.673 67.980 68.868 -0.357 0.000 1.198 506 T HN 0.024 nan 8.240 nan 0.000 0.545 507 V N 0.139 119.937 119.914 -0.194 0.000 2.453 507 V HA 0.140 4.259 4.120 -0.000 0.000 0.247 507 V C 3.112 179.250 176.094 0.074 0.000 1.048 507 V CA 1.987 64.219 62.300 -0.114 0.000 1.049 507 V CB -1.820 29.809 31.823 -0.322 0.000 0.672 507 V HN 0.674 nan 8.190 nan 0.000 0.457 508 E N 1.364 121.586 120.200 0.036 0.000 2.049 508 E HA -0.361 3.988 4.350 -0.000 0.000 0.198 508 E C 1.767 178.448 176.600 0.135 0.000 1.007 508 E CA 2.080 58.556 56.400 0.128 0.000 0.809 508 E CB -1.062 28.680 29.700 0.071 0.000 0.749 508 E HN 0.732 nan 8.360 nan 0.000 0.450 509 D N -0.879 119.559 120.400 0.062 0.000 2.144 509 D HA -0.046 4.594 4.640 -0.000 0.000 0.199 509 D C 1.707 178.030 176.300 0.038 0.000 0.984 509 D CA 1.039 55.062 54.000 0.040 0.000 0.834 509 D CB -0.564 40.228 40.800 -0.013 0.000 0.955 509 D HN 0.451 nan 8.370 nan 0.000 0.465 510 F N -0.056 119.801 119.950 -0.154 0.000 2.046 510 F HA -0.173 4.353 4.527 -0.001 0.000 0.297 510 F C 1.951 177.620 175.800 -0.219 0.000 1.123 510 F CA 1.540 59.362 58.000 -0.297 0.000 1.199 510 F CB -0.595 38.107 39.000 -0.497 0.000 0.972 510 F HN -0.014 nan 8.300 nan 0.000 0.474 511 W N 0.479 121.787 121.300 0.014 0.000 2.519 511 W HA -0.028 4.632 4.660 -0.000 0.000 0.266 511 W C 2.599 179.127 176.519 0.015 0.000 1.253 511 W CA 0.716 58.055 57.345 -0.010 0.000 1.274 511 W CB -0.274 29.272 29.460 0.144 0.000 1.114 511 W HN -0.116 nan 8.180 nan 0.000 0.596 512 R N -0.004 120.631 120.500 0.224 0.000 2.070 512 R HA -0.207 4.133 4.340 -0.000 0.000 0.233 512 R C 2.295 178.679 176.300 0.140 0.000 1.137 512 R CA 1.923 58.124 56.100 0.168 0.000 0.945 512 R CB -0.821 29.545 30.300 0.109 0.000 0.845 512 R HN 0.218 nan 8.270 nan 0.000 0.430 513 M N 0.616 120.233 119.600 0.029 0.000 2.108 513 M HA -0.196 4.284 4.480 -0.000 0.000 0.261 513 M C 1.819 178.128 176.300 0.014 0.000 1.066 513 M CA 1.677 57.000 55.300 0.038 0.000 1.107 513 M CB -0.011 32.506 32.600 -0.139 0.000 1.356 513 M HN 0.111 nan 8.290 nan 0.000 0.406 514 I N -0.371 120.100 120.570 -0.166 0.000 2.163 514 I HA -0.339 3.831 4.170 -0.000 0.000 0.243 514 I C 2.370 178.520 176.117 0.055 0.000 1.085 514 I CA 1.602 62.821 61.300 -0.134 0.000 1.347 514 I CB -1.595 36.281 38.000 -0.206 0.000 1.044 514 I HN 0.684 nan 8.210 nan 0.000 0.408 515 W N 2.031 123.337 121.300 0.010 0.000 2.418 515 W HA -0.199 4.461 4.660 -0.001 0.000 0.292 515 W C 2.521 178.994 176.519 -0.076 0.000 1.213 515 W CA 2.244 59.585 57.345 -0.006 0.000 1.283 515 W CB 0.013 29.491 29.460 0.029 0.000 1.119 515 W HN 0.267 nan 8.180 nan 0.000 0.542 516 E N -0.341 119.902 120.200 0.071 0.000 2.152 516 E HA -0.220 4.129 4.350 -0.000 0.000 0.192 516 E C 1.183 177.472 176.600 -0.518 0.000 0.983 516 E CA 1.315 57.600 56.400 -0.192 0.000 0.818 516 E CB -1.366 28.237 29.700 -0.161 0.000 0.758 516 E HN 0.467 nan 8.360 nan 0.000 0.467 517 W N 0.117 121.372 121.300 -0.075 0.000 3.102 517 W HA 0.403 5.063 4.660 -0.000 0.000 0.401 517 W C 0.085 176.514 176.519 -0.150 0.000 1.070 517 W CA -0.261 57.056 57.345 -0.047 0.000 1.921 517 W CB 0.311 29.818 29.460 0.079 0.000 1.118 517 W HN 0.046 nan 8.180 nan 0.000 0.647 518 K N 0.424 120.695 120.400 -0.216 0.000 3.148 518 K HA -0.225 4.095 4.320 -0.000 0.000 0.267 518 K C 0.310 176.589 176.600 -0.535 0.000 0.996 518 K CA 0.458 56.445 56.287 -0.500 0.000 0.737 518 K CB -1.592 30.639 32.500 -0.449 0.000 1.308 518 K HN 0.038 nan 8.250 nan 0.000 0.470 519 S N -0.449 115.062 115.700 -0.315 0.000 2.549 519 S HA 0.170 4.640 4.470 -0.000 0.000 0.279 519 S C 0.536 174.940 174.600 -0.326 0.000 1.321 519 S CA -0.334 57.734 58.200 -0.220 0.000 1.054 519 S CB 0.359 63.488 63.200 -0.117 0.000 0.899 519 S HN 0.404 nan 8.310 nan 0.000 0.497 520 H N 1.513 120.592 119.070 0.016 0.000 2.923 520 H HA 0.294 4.850 4.556 -0.000 0.000 0.268 520 H C -0.543 174.867 175.328 0.137 0.000 1.148 520 H CA -0.210 55.873 56.048 0.059 0.000 1.146 520 H CB 0.965 30.749 29.762 0.037 0.000 1.607 520 H HN 0.448 nan 8.280 nan 0.000 0.566 521 T N 1.278 115.960 114.554 0.214 0.000 3.071 521 T HA 0.419 4.769 4.350 -0.000 0.000 0.311 521 T C -0.626 174.182 174.700 0.180 0.000 1.042 521 T CA -0.582 61.664 62.100 0.244 0.000 1.028 521 T CB 1.860 70.858 68.868 0.217 0.000 1.068 521 T HN 0.052 nan 8.240 nan 0.000 0.451 522 I N 2.578 123.290 120.570 0.235 0.000 2.436 522 I HA 0.528 4.698 4.170 -0.000 0.000 0.289 522 I C -0.626 175.600 176.117 0.183 0.000 1.010 522 I CA -1.192 60.221 61.300 0.187 0.000 1.098 522 I CB 1.993 40.131 38.000 0.230 0.000 1.266 522 I HN 0.292 nan 8.210 nan 0.000 0.434 523 V N 7.031 126.965 119.914 0.033 0.000 2.357 523 V HA 0.394 4.513 4.120 -0.000 0.000 0.284 523 V C 0.014 175.952 176.094 -0.260 0.000 1.018 523 V CA -0.424 61.798 62.300 -0.129 0.000 0.841 523 V CB 1.708 33.238 31.823 -0.488 0.000 0.991 523 V HN 0.681 nan 8.190 nan 0.000 0.437 524 M N 5.529 124.990 119.600 -0.232 0.000 2.101 524 M HA 0.467 4.947 4.480 -0.000 0.000 0.340 524 M C -0.124 176.059 176.300 -0.194 0.000 1.057 524 M CA -0.400 54.624 55.300 -0.460 0.000 0.984 524 M CB 1.357 33.675 32.600 -0.470 0.000 1.560 524 M HN 0.596 nan 8.290 nan 0.000 0.435 525 L N 2.926 124.001 121.223 -0.246 0.000 2.693 525 L HA 0.175 4.515 4.340 -0.000 0.000 0.235 525 L C 0.923 177.768 176.870 -0.041 0.000 1.127 525 L CA -0.067 54.759 54.840 -0.023 0.000 0.914 525 L CB -0.027 41.967 42.059 -0.108 0.000 1.193 525 L HN 0.691 nan 8.230 nan 0.000 0.502 526 T N -3.985 110.539 114.554 -0.050 0.000 2.762 526 T HA 0.555 4.904 4.350 -0.000 0.000 0.272 526 T C -0.169 174.646 174.700 0.191 0.000 0.982 526 T CA -0.784 61.327 62.100 0.018 0.000 1.013 526 T CB 2.233 71.091 68.868 -0.015 0.000 1.309 526 T HN -0.041 nan 8.240 nan 0.000 0.572 527 E N -0.638 119.675 120.200 0.189 0.000 2.355 527 E HA 0.471 4.821 4.350 -0.000 0.000 0.261 527 E C 1.127 177.835 176.600 0.180 0.000 0.943 527 E CA -0.980 55.593 56.400 0.287 0.000 0.806 527 E CB 2.202 32.047 29.700 0.242 0.000 1.286 527 E HN 0.312 nan 8.360 nan 0.000 0.424 528 V N 0.019 120.045 119.914 0.187 0.000 2.343 528 V HA -0.191 3.928 4.120 -0.000 0.000 0.247 528 V C 0.917 177.046 176.094 0.059 0.000 1.051 528 V CA 2.293 64.654 62.300 0.101 0.000 1.036 528 V CB -0.540 31.310 31.823 0.045 0.000 0.654 528 V HN 0.723 nan 8.190 nan 0.000 0.451 529 Q N -1.024 118.808 119.800 0.053 0.000 2.356 529 Q HA 0.736 5.076 4.340 -0.000 0.000 0.270 529 Q C -0.503 175.516 176.000 0.031 0.000 1.058 529 Q CA 0.019 55.841 55.803 0.033 0.000 0.802 529 Q CB 1.595 30.344 28.738 0.017 0.000 1.303 529 Q HN 0.706 nan 8.270 nan 0.000 0.444 530 E N 0.747 120.960 120.200 0.022 0.000 2.278 530 E HA 0.659 5.008 4.350 -0.000 0.000 0.272 530 E C -0.083 176.522 176.600 0.008 0.000 0.890 530 E CA -0.383 56.026 56.400 0.016 0.000 0.770 530 E CB 1.024 30.733 29.700 0.015 0.000 1.212 530 E HN 0.971 nan 8.360 nan 0.000 0.415 531 R N 0.751 121.255 120.500 0.007 0.000 3.422 531 R HA -0.140 4.200 4.340 -0.000 0.000 0.267 531 R C 0.967 177.268 176.300 0.002 0.000 1.074 531 R CA 1.765 57.868 56.100 0.004 0.000 0.718 531 R CB -2.611 27.691 30.300 0.003 0.000 1.157 531 R HN 2.129 nan 8.270 nan 0.000 0.440 532 E N -1.590 118.612 120.200 0.003 0.000 3.286 532 E HA -0.282 4.068 4.350 -0.000 0.000 0.292 532 E C -0.171 176.431 176.600 0.003 0.000 0.928 532 E CA 2.064 58.465 56.400 0.002 0.000 0.982 532 E CB -1.592 28.108 29.700 -0.000 0.000 1.500 532 E HN 0.734 nan 8.360 nan 0.000 0.441 533 Q N -1.089 118.714 119.800 0.005 0.000 2.340 533 Q HA 0.537 4.877 4.340 -0.000 0.000 0.268 533 Q C -0.034 175.973 176.000 0.012 0.000 1.031 533 Q CA 0.031 55.837 55.803 0.005 0.000 0.804 533 Q CB 1.907 30.646 28.738 0.001 0.000 1.286 533 Q HN 0.708 nan 8.270 nan 0.000 0.448 534 D N 3.118 123.527 120.400 0.015 0.000 2.385 534 D HA 0.014 4.653 4.640 -0.000 0.000 0.260 534 D C 0.446 176.764 176.300 0.030 0.000 1.326 534 D CA -0.147 53.869 54.000 0.026 0.000 1.023 534 D CB 0.240 41.060 40.800 0.033 0.000 1.083 534 D HN 0.231 nan 8.370 nan 0.000 0.517 535 K N -0.059 120.360 120.400 0.031 0.000 2.426 535 K HA 0.210 4.530 4.320 -0.000 0.000 0.193 535 K C 0.235 176.862 176.600 0.046 0.000 1.028 535 K CA 0.012 56.316 56.287 0.027 0.000 1.047 535 K CB 0.100 32.610 32.500 0.016 0.000 0.821 535 K HN 0.596 nan 8.250 nan 0.000 0.513 536 C N 0.159 119.501 119.300 0.070 0.000 3.218 536 C HA 0.279 4.739 4.460 -0.000 0.000 0.420 536 C C -1.172 173.886 174.990 0.114 0.000 0.987 536 C CA -1.387 57.691 59.018 0.101 0.000 1.196 536 C CB -0.134 27.700 27.740 0.158 0.000 1.576 536 C HN 0.475 nan 8.230 nan 0.000 0.594 537 Y N 3.618 123.913 120.300 -0.009 0.000 2.397 537 Y HA 0.383 4.933 4.550 -0.001 0.000 0.335 537 Y C 0.573 176.439 175.900 -0.058 0.000 1.213 537 Y CA 0.711 58.787 58.100 -0.040 0.000 1.391 537 Y CB 0.739 39.163 38.460 -0.060 0.000 1.293 537 Y HN 0.795 nan 8.280 nan 0.000 0.557 538 Q N 5.332 124.516 119.800 -1.026 0.000 2.369 538 Q HA 0.093 4.433 4.340 -0.000 0.000 0.247 538 Q C -0.575 174.885 176.000 -0.900 0.000 1.083 538 Q CA -0.307 54.827 55.803 -1.115 0.000 0.905 538 Q CB 0.057 28.086 28.738 -1.182 0.000 1.305 538 Q HN 0.874 nan 8.270 nan 0.000 0.465 539 Y N 2.367 122.522 120.300 -0.243 0.000 2.523 539 Y HA 0.205 4.754 4.550 -0.000 0.000 0.279 539 Y C -0.236 175.991 175.900 0.545 0.000 1.139 539 Y CA -1.075 57.166 58.100 0.235 0.000 1.296 539 Y CB -0.273 38.255 38.460 0.114 0.000 1.045 539 Y HN 0.490 nan 8.280 nan 0.000 0.538 540 W N 1.781 123.058 121.300 -0.038 0.000 2.576 540 W HA 0.810 5.469 4.660 -0.001 0.000 0.360 540 W C -3.072 173.481 176.519 0.056 0.000 1.109 540 W CA -3.034 54.333 57.345 0.037 0.000 1.237 540 W CB 0.657 30.023 29.460 -0.157 0.000 1.369 540 W HN -0.320 nan 8.180 nan 0.000 0.609 541 P HA 0.257 nan 4.420 nan 0.000 0.298 541 P C 0.144 177.651 177.300 0.346 0.000 1.314 541 P CA -0.301 62.873 63.100 0.122 0.000 0.854 541 P CB 2.368 34.136 31.700 0.113 0.000 1.019 542 T N 0.574 115.234 114.554 0.177 0.000 2.851 542 T HA -0.038 4.312 4.350 -0.000 0.000 0.262 542 T C 1.841 176.638 174.700 0.162 0.000 1.043 542 T CA 2.005 64.251 62.100 0.244 0.000 1.140 542 T CB -0.324 68.632 68.868 0.147 0.000 0.872 542 T HN 0.545 nan 8.240 nan 0.000 0.446 543 E N 1.035 121.293 120.200 0.097 0.000 2.045 543 E HA 0.486 4.836 4.350 -0.000 0.000 0.195 543 E C 1.887 178.525 176.600 0.063 0.000 0.953 543 E CA 0.656 57.094 56.400 0.063 0.000 0.859 543 E CB -1.187 28.532 29.700 0.032 0.000 0.854 543 E HN 0.462 nan 8.360 nan 0.000 0.471 544 G N -0.758 108.071 108.800 0.048 0.000 2.992 544 G HA2 0.518 4.477 3.960 -0.000 0.000 0.201 544 G HA3 0.518 4.477 3.960 -0.000 0.000 0.201 544 G C 0.664 175.591 174.900 0.045 0.000 2.057 544 G CA 1.065 46.186 45.100 0.035 0.000 0.800 544 G HN 1.251 nan 8.290 nan 0.000 0.700 545 S N -1.166 114.539 115.700 0.009 0.000 2.549 545 S HA 0.705 5.174 4.470 -0.000 0.000 0.280 545 S C -0.671 173.884 174.600 -0.075 0.000 1.109 545 S CA -0.253 57.935 58.200 -0.020 0.000 0.905 545 S CB 1.684 64.864 63.200 -0.034 0.000 1.081 545 S HN 1.525 nan 8.310 nan 0.000 0.477 546 V N -1.303 118.520 119.914 -0.150 0.000 2.815 546 V HA 1.049 5.169 4.120 -0.000 0.000 0.314 546 V C 0.085 175.969 176.094 -0.350 0.000 1.064 546 V CA -0.146 61.999 62.300 -0.259 0.000 0.952 546 V CB 0.839 32.438 31.823 -0.373 0.000 1.020 546 V HN 1.370 nan 8.190 nan 0.000 0.439 547 T N 1.242 115.608 114.554 -0.313 0.000 2.758 547 T HA 0.623 4.973 4.350 -0.000 0.000 0.285 547 T C -0.291 174.264 174.700 -0.241 0.000 0.981 547 T CA -0.512 61.428 62.100 -0.266 0.000 0.965 547 T CB 0.258 69.040 68.868 -0.144 0.000 0.927 547 T HN 0.835 nan 8.240 nan 0.000 0.448 548 H N 2.784 121.809 119.070 -0.075 0.000 2.539 548 H HA 0.545 5.101 4.556 -0.000 0.000 0.247 548 H C 1.215 176.551 175.328 0.014 0.000 1.363 548 H CA 0.107 56.171 56.048 0.026 0.000 1.371 548 H CB 0.411 30.271 29.762 0.164 0.000 1.438 548 H HN 1.284 nan 8.280 nan 0.000 0.523 549 G N 1.607 110.469 108.800 0.104 0.000 2.603 549 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.245 549 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.245 549 G C 1.052 175.936 174.900 -0.027 0.000 1.195 549 G CA 0.644 45.769 45.100 0.041 0.000 0.953 549 G HN 0.524 nan 8.290 nan 0.000 0.566 550 E N -0.055 120.109 120.200 -0.059 0.000 2.216 550 E HA 0.437 4.786 4.350 -0.000 0.000 0.192 550 E C 1.476 177.956 176.600 -0.200 0.000 0.988 550 E CA 1.252 57.577 56.400 -0.125 0.000 0.834 550 E CB -0.070 29.543 29.700 -0.145 0.000 0.772 550 E HN 0.741 nan 8.360 nan 0.000 0.479 551 I N 2.076 122.530 120.570 -0.193 0.000 2.474 551 I HA 0.280 4.449 4.170 -0.000 0.000 0.287 551 I C -0.219 175.723 176.117 -0.291 0.000 1.048 551 I CA -0.023 61.108 61.300 -0.283 0.000 1.383 551 I CB 1.125 39.001 38.000 -0.207 0.000 1.412 551 I HN -0.019 nan 8.210 nan 0.000 0.531 552 T N 6.812 121.177 114.554 -0.315 0.000 2.812 552 T HA 0.548 4.898 4.350 -0.000 0.000 0.282 552 T C -0.078 174.432 174.700 -0.316 0.000 0.990 552 T CA -0.415 61.513 62.100 -0.285 0.000 0.960 552 T CB 1.537 70.292 68.868 -0.188 0.000 0.948 552 T HN 0.175 nan 8.240 nan 0.000 0.438 553 I N 2.680 123.030 120.570 -0.368 0.000 2.362 553 I HA 0.615 4.785 4.170 -0.000 0.000 0.289 553 I C 0.437 176.513 176.117 -0.069 0.000 0.994 553 I CA -1.083 60.031 61.300 -0.310 0.000 1.158 553 I CB 0.356 38.028 38.000 -0.547 0.000 1.315 553 I HN 0.786 nan 8.210 nan 0.000 0.451 554 E N 5.937 126.174 120.200 0.063 0.000 2.221 554 E HA 0.735 5.085 4.350 -0.000 0.000 0.268 554 E C -0.985 175.780 176.600 0.276 0.000 0.933 554 E CA -0.796 55.680 56.400 0.128 0.000 0.809 554 E CB 2.852 32.590 29.700 0.064 0.000 1.190 554 E HN 0.691 nan 8.360 nan 0.000 0.406 555 I N 0.935 121.635 120.570 0.216 0.000 2.339 555 I HA 0.596 4.766 4.170 -0.000 0.000 0.290 555 I C 1.135 177.249 176.117 -0.005 0.000 0.994 555 I CA -0.022 61.346 61.300 0.113 0.000 1.191 555 I CB 1.356 39.446 38.000 0.150 0.000 1.343 555 I HN 0.733 nan 8.210 nan 0.000 0.458 556 K N 4.319 124.667 120.400 -0.086 0.000 2.172 556 K HA 0.356 4.676 4.320 -0.000 0.000 0.203 556 K C 0.560 177.111 176.600 -0.081 0.000 1.040 556 K CA 1.229 57.482 56.287 -0.057 0.000 0.974 556 K CB -0.840 31.637 32.500 -0.039 0.000 0.857 556 K HN 0.790 nan 8.250 nan 0.000 0.464 557 N N -1.067 117.547 118.700 -0.143 0.000 2.284 557 N HA 0.508 5.247 4.740 -0.000 0.000 0.289 557 N C -0.990 174.415 175.510 -0.176 0.000 1.179 557 N CA 0.283 53.259 53.050 -0.122 0.000 0.774 557 N CB 1.708 40.137 38.487 -0.096 0.000 1.548 557 N HN 0.758 nan 8.380 nan 0.000 0.473 558 D N -0.468 119.863 120.400 -0.114 0.000 2.978 558 D HA 0.654 5.294 4.640 -0.000 0.000 0.268 558 D C 0.243 176.513 176.300 -0.050 0.000 1.252 558 D CA 0.417 54.355 54.000 -0.104 0.000 0.771 558 D CB -0.192 40.571 40.800 -0.060 0.000 1.361 558 D HN 1.161 nan 8.370 nan 0.000 0.558 559 T N -0.326 114.194 114.554 -0.056 0.000 2.794 559 T HA 0.694 5.044 4.350 -0.000 0.000 0.296 559 T C 0.866 175.564 174.700 -0.005 0.000 0.949 559 T CA 0.231 62.316 62.100 -0.024 0.000 1.101 559 T CB 0.512 69.366 68.868 -0.024 0.000 0.905 559 T HN 1.488 nan 8.240 nan 0.000 0.516 560 L N 2.718 123.954 121.223 0.021 0.000 2.358 560 L HA 0.781 5.121 4.340 -0.000 0.000 0.274 560 L C 1.168 178.070 176.870 0.053 0.000 1.136 560 L CA -0.517 54.354 54.840 0.051 0.000 0.970 560 L CB -1.419 40.674 42.059 0.057 0.000 1.314 560 L HN 1.307 nan 8.230 nan 0.000 0.427 561 S N 1.196 116.930 115.700 0.057 0.000 2.632 561 S HA 0.583 5.052 4.470 -0.000 0.000 0.254 561 S C 0.940 175.593 174.600 0.088 0.000 1.291 561 S CA 0.364 58.604 58.200 0.066 0.000 0.974 561 S CB -0.004 63.241 63.200 0.074 0.000 1.016 561 S HN 1.913 nan 8.310 nan 0.000 0.579 562 E N -0.667 119.587 120.200 0.090 0.000 2.383 562 E HA 0.499 4.848 4.350 -0.000 0.000 0.257 562 E C 1.183 177.869 176.600 0.143 0.000 1.079 562 E CA 0.682 57.141 56.400 0.099 0.000 0.934 562 E CB -1.394 28.358 29.700 0.086 0.000 0.978 562 E HN 2.370 nan 8.360 nan 0.000 0.462 563 A N 1.964 124.873 122.820 0.148 0.000 1.282 563 A HA -0.250 4.070 4.320 -0.000 0.000 0.224 563 A C 1.183 178.890 177.584 0.205 0.000 0.457 563 A CA 1.429 53.579 52.037 0.188 0.000 1.095 563 A CB -2.574 16.592 19.000 0.277 0.000 1.470 563 A HN 1.647 nan 8.150 nan 0.000 0.723 564 I N 0.684 121.400 120.570 0.244 0.000 2.696 564 I HA 0.510 4.680 4.170 -0.000 0.000 0.284 564 I C 0.580 176.731 176.117 0.057 0.000 1.129 564 I CA 0.800 62.193 61.300 0.154 0.000 1.410 564 I CB 0.541 38.697 38.000 0.261 0.000 1.399 564 I HN 1.056 nan 8.210 nan 0.000 0.579 565 S N 5.850 121.509 115.700 -0.069 0.000 2.473 565 S HA 0.742 5.212 4.470 -0.000 0.000 0.307 565 S C -0.728 173.834 174.600 -0.064 0.000 1.094 565 S CA -0.822 57.373 58.200 -0.009 0.000 1.070 565 S CB 1.568 64.820 63.200 0.087 0.000 1.019 565 S HN 0.518 nan 8.310 nan 0.000 0.480 566 I N 3.547 124.049 120.570 -0.114 0.000 2.355 566 I HA 0.449 4.619 4.170 -0.000 0.000 0.288 566 I C 0.261 176.220 176.117 -0.263 0.000 0.999 566 I CA -0.653 60.480 61.300 -0.278 0.000 1.163 566 I CB 1.301 39.097 38.000 -0.341 0.000 1.316 566 I HN 0.533 nan 8.210 nan 0.000 0.454 567 R N 4.636 124.954 120.500 -0.302 0.000 2.664 567 R HA 0.541 4.881 4.340 -0.000 0.000 0.286 567 R C -1.328 174.655 176.300 -0.529 0.000 0.967 567 R CA -0.991 54.860 56.100 -0.415 0.000 0.933 567 R CB 1.953 31.982 30.300 -0.452 0.000 1.146 567 R HN 0.423 nan 8.270 nan 0.000 0.468 568 D N 2.341 122.357 120.400 -0.639 0.000 2.492 568 D HA 0.347 4.986 4.640 -0.000 0.000 0.248 568 D C -0.932 175.044 176.300 -0.540 0.000 1.101 568 D CA -0.119 53.628 54.000 -0.421 0.000 0.840 568 D CB 1.364 42.040 40.800 -0.207 0.000 1.209 568 D HN 0.223 nan 8.370 nan 0.000 0.524 569 F N 0.755 120.765 119.950 0.100 0.000 2.532 569 F HA 0.413 4.939 4.527 -0.001 0.000 0.321 569 F C 0.296 176.157 175.800 0.102 0.000 1.089 569 F CA -1.021 57.047 58.000 0.115 0.000 0.926 569 F CB 1.806 40.917 39.000 0.184 0.000 1.168 569 F HN -0.022 nan 8.300 nan 0.000 0.459 570 L N 4.041 125.413 121.223 0.248 0.000 2.261 570 L HA 0.445 4.785 4.340 -0.000 0.000 0.289 570 L C -0.810 176.146 176.870 0.143 0.000 1.059 570 L CA -0.708 54.236 54.840 0.174 0.000 0.816 570 L CB 0.874 42.996 42.059 0.106 0.000 1.191 570 L HN 0.360 nan 8.230 nan 0.000 0.431 571 V N 2.841 122.860 119.914 0.174 0.000 2.407 571 V HA 0.457 4.577 4.120 -0.000 0.000 0.278 571 V C 0.388 176.560 176.094 0.129 0.000 1.037 571 V CA -0.465 61.892 62.300 0.094 0.000 0.900 571 V CB 1.491 33.446 31.823 0.219 0.000 0.983 571 V HN 0.810 nan 8.190 nan 0.000 0.459 572 T N 3.337 117.845 114.554 -0.077 0.000 2.930 572 T HA 0.734 5.084 4.350 -0.000 0.000 0.290 572 T C -0.851 173.579 174.700 -0.451 0.000 1.052 572 T CA -0.750 61.255 62.100 -0.158 0.000 1.017 572 T CB 2.130 70.941 68.868 -0.095 0.000 1.137 572 T HN 0.312 nan 8.240 nan 0.000 0.511 573 L N 2.087 122.998 121.223 -0.520 0.000 2.366 573 L HA 0.566 4.906 4.340 -0.000 0.000 0.266 573 L C 0.293 176.972 176.870 -0.319 0.000 1.010 573 L CA -0.152 54.311 54.840 -0.628 0.000 0.879 573 L CB -0.333 41.117 42.059 -1.016 0.000 1.228 573 L HN 1.015 nan 8.230 nan 0.000 0.439 582 E N 0.931 121.181 120.200 0.083 0.000 2.379 582 E HA 0.310 4.660 4.350 -0.000 0.000 0.209 582 E C 1.442 178.175 176.600 0.222 0.000 1.284 582 E CA 0.775 57.242 56.400 0.111 0.000 1.333 582 E CB -0.491 29.254 29.700 0.075 0.000 1.307 582 E HN 0.643 nan 8.360 nan 0.000 0.441 583 Q N -0.683 119.242 119.800 0.209 0.000 2.408 583 Q HA 0.232 4.572 4.340 -0.000 0.000 0.205 583 Q C 0.288 176.482 176.000 0.324 0.000 0.919 583 Q CA 0.426 56.369 55.803 0.234 0.000 0.932 583 Q CB 0.605 29.399 28.738 0.093 0.000 1.058 583 Q HN 0.462 nan 8.270 nan 0.000 0.517 584 V N 0.528 120.645 119.914 0.339 0.000 2.760 584 V HA 0.558 4.677 4.120 -0.000 0.000 0.309 584 V C -1.437 174.828 176.094 0.284 0.000 1.077 584 V CA -0.726 61.760 62.300 0.311 0.000 0.910 584 V CB 1.976 33.892 31.823 0.155 0.000 1.008 584 V HN 0.175 nan 8.190 nan 0.000 0.424 585 R N 3.470 124.162 120.500 0.320 0.000 2.905 585 R HA 0.824 5.164 4.340 -0.000 0.000 0.260 585 R C -1.756 174.673 176.300 0.214 0.000 1.086 585 R CA -0.897 55.332 56.100 0.216 0.000 0.978 585 R CB 2.488 32.905 30.300 0.195 0.000 1.215 585 R HN 0.477 nan 8.270 nan 0.000 0.480 586 V N 1.954 121.977 119.914 0.182 0.000 2.380 586 V HA 0.288 4.408 4.120 -0.000 0.000 0.286 586 V C -0.568 175.668 176.094 0.236 0.000 1.015 586 V CA -0.646 61.761 62.300 0.179 0.000 0.834 586 V CB 1.759 33.637 31.823 0.092 0.000 1.009 586 V HN 0.398 nan 8.190 nan 0.000 0.428 587 V N 5.177 125.291 119.914 0.334 0.000 2.612 587 V HA 0.619 4.739 4.120 -0.000 0.000 0.301 587 V C -0.023 176.297 176.094 0.377 0.000 1.046 587 V CA -0.851 61.681 62.300 0.387 0.000 0.946 587 V CB 2.172 34.277 31.823 0.470 0.000 1.003 587 V HN 0.844 nan 8.190 nan 0.000 0.459 588 R N 2.818 123.502 120.500 0.308 0.000 2.439 588 R HA 0.420 4.760 4.340 -0.000 0.000 0.310 588 R C -0.629 175.802 176.300 0.218 0.000 0.955 588 R CA -0.315 55.890 56.100 0.175 0.000 0.853 588 R CB 1.273 31.637 30.300 0.106 0.000 1.171 588 R HN 0.793 nan 8.270 nan 0.000 0.449 589 Q N 4.725 124.629 119.800 0.174 0.000 2.314 589 Q HA 0.282 4.621 4.340 -0.000 0.000 0.259 589 Q C -1.328 174.639 176.000 -0.054 0.000 0.951 589 Q CA -0.548 55.357 55.803 0.170 0.000 0.909 589 Q CB 0.716 29.602 28.738 0.245 0.000 1.236 589 Q HN 0.541 nan 8.270 nan 0.000 0.444 590 F N 3.335 123.313 119.950 0.046 0.000 2.350 590 F HA 0.216 4.742 4.527 -0.000 0.000 0.365 590 F C 0.115 175.928 175.800 0.021 0.000 1.122 590 F CA -0.464 57.553 58.000 0.029 0.000 1.139 590 F CB 0.743 39.760 39.000 0.029 0.000 1.220 590 F HN 0.562 nan 8.300 nan 0.000 0.499 591 H N 4.727 123.782 119.070 -0.026 0.000 2.641 591 H HA 0.241 4.797 4.556 -0.001 0.000 0.295 591 H C -1.083 174.111 175.328 -0.222 0.000 1.070 591 H CA -0.921 55.040 56.048 -0.145 0.000 1.257 591 H CB 0.522 30.131 29.762 -0.255 0.000 1.393 591 H HN 0.494 nan 8.280 nan 0.000 0.464 592 F N 5.986 125.938 119.950 0.002 0.000 2.411 592 F HA 0.155 4.681 4.527 -0.001 0.000 0.355 592 F C 0.024 175.781 175.800 -0.072 0.000 1.117 592 F CA -0.512 57.447 58.000 -0.068 0.000 1.139 592 F CB 0.669 39.726 39.000 0.095 0.000 1.120 592 F HN 0.675 nan 8.300 nan 0.000 0.493 593 H N 3.751 122.583 119.070 -0.396 0.000 2.551 593 H HA 0.200 4.755 4.556 -0.001 0.000 0.271 593 H C 1.784 176.763 175.328 -0.581 0.000 0.984 593 H CA 0.659 56.462 56.048 -0.407 0.000 1.164 593 H CB 0.203 29.813 29.762 -0.254 0.000 1.437 593 H HN 0.770 nan 8.280 nan 0.000 0.550 594 G N -0.531 107.548 108.800 -1.200 0.000 3.327 594 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.240 594 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.240 594 G C -0.302 174.268 174.900 -0.550 0.000 1.222 594 G CA -0.282 44.344 45.100 -0.790 0.000 0.871 594 G HN 0.160 nan 8.290 nan 0.000 0.525 595 W N 1.617 122.601 121.300 -0.527 0.000 2.349 595 W HA 0.443 5.102 4.660 -0.001 0.000 0.309 595 W C -2.375 174.061 176.519 -0.139 0.000 1.083 595 W CA -2.835 54.387 57.345 -0.205 0.000 1.224 595 W CB 1.621 31.025 29.460 -0.092 0.000 1.256 595 W HN 0.012 nan 8.180 nan 0.000 0.461 596 P HA 0.143 nan 4.420 nan 0.000 0.272 596 P C 0.886 178.288 177.300 0.171 0.000 1.223 596 P CA 0.492 63.664 63.100 0.119 0.000 0.784 596 P CB 0.619 32.346 31.700 0.045 0.000 0.923 597 E N 1.184 121.433 120.200 0.082 0.000 2.077 597 E HA -0.015 4.335 4.350 -0.000 0.000 0.193 597 E C 1.121 177.754 176.600 0.055 0.000 0.989 597 E CA 1.856 58.289 56.400 0.056 0.000 0.800 597 E CB -0.964 28.753 29.700 0.029 0.000 0.746 597 E HN 0.613 nan 8.360 nan 0.000 0.452 598 I N -0.851 119.753 120.570 0.057 0.000 2.382 598 I HA 0.718 4.888 4.170 -0.000 0.000 0.286 598 I C 0.948 177.108 176.117 0.071 0.000 1.002 598 I CA -0.238 61.093 61.300 0.052 0.000 1.135 598 I CB 0.440 38.458 38.000 0.029 0.000 1.288 598 I HN 1.202 nan 8.210 nan 0.000 0.448 599 G N 3.716 112.576 108.800 0.101 0.000 2.610 599 G HA2 0.216 4.176 3.960 -0.000 0.000 0.304 599 G HA3 0.216 4.176 3.960 -0.000 0.000 0.304 599 G C -0.351 174.646 174.900 0.162 0.000 1.309 599 G CA -0.109 45.052 45.100 0.101 0.000 0.906 599 G HN 2.363 nan 8.290 nan 0.000 0.521 600 I N -1.228 119.343 120.570 0.002 0.000 2.677 600 I HA 0.704 4.874 4.170 -0.000 0.000 0.305 600 I C -2.068 173.751 176.117 -0.496 0.000 0.988 600 I CA -2.482 58.631 61.300 -0.311 0.000 1.260 600 I CB 1.413 39.172 38.000 -0.403 0.000 1.410 600 I HN 0.398 nan 8.210 nan 0.000 0.523 601 P HA 0.184 nan 4.420 nan 0.000 0.274 601 P C 0.060 177.209 177.300 -0.252 0.000 1.231 601 P CA -0.350 62.437 63.100 -0.520 0.000 0.790 601 P CB 1.215 32.578 31.700 -0.562 0.000 0.951 602 A N 1.466 124.227 122.820 -0.097 0.000 1.930 602 A HA 0.007 4.327 4.320 -0.000 0.000 0.215 602 A C 2.051 179.672 177.584 0.062 0.000 1.176 602 A CA 1.838 53.871 52.037 -0.005 0.000 0.632 602 A CB -1.507 17.490 19.000 -0.006 0.000 0.819 602 A HN 0.568 nan 8.150 nan 0.000 0.445 603 E N -1.882 118.357 120.200 0.064 0.000 2.002 603 E HA 0.271 4.620 4.350 -0.000 0.000 0.196 603 E C 2.090 178.773 176.600 0.138 0.000 0.974 603 E CA 1.776 58.229 56.400 0.088 0.000 0.853 603 E CB -1.412 28.335 29.700 0.079 0.000 0.808 603 E HN 1.853 nan 8.360 nan 0.000 0.492 604 G N -1.567 107.341 108.800 0.180 0.000 2.313 604 G HA2 -0.134 3.825 3.960 -0.000 0.000 0.215 604 G HA3 -0.134 3.825 3.960 -0.000 0.000 0.215 604 G C 1.735 176.679 174.900 0.074 0.000 1.023 604 G CA 1.493 46.669 45.100 0.128 0.000 0.626 604 G HN 1.373 nan 8.290 nan 0.000 0.503 605 K N 0.700 121.142 120.400 0.071 0.000 2.152 605 K HA 0.287 4.607 4.320 -0.000 0.000 0.206 605 K C 3.038 179.684 176.600 0.076 0.000 1.048 605 K CA 2.292 58.614 56.287 0.059 0.000 0.933 605 K CB -1.134 31.396 32.500 0.050 0.000 0.721 605 K HN 1.582 nan 8.250 nan 0.000 0.447 606 G N -0.246 108.627 108.800 0.122 0.000 2.408 606 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.215 606 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.215 606 G C 1.716 176.620 174.900 0.006 0.000 1.156 606 G CA 1.157 46.359 45.100 0.170 0.000 0.793 606 G HN 0.440 nan 8.290 nan 0.000 0.535 607 M N 0.626 120.225 119.600 -0.002 0.000 2.200 607 M HA 0.232 4.712 4.480 -0.000 0.000 0.265 607 M C 2.272 178.515 176.300 -0.095 0.000 1.066 607 M CA 1.028 56.252 55.300 -0.127 0.000 1.127 607 M CB -0.410 32.223 32.600 0.056 0.000 1.379 607 M HN 0.210 nan 8.290 nan 0.000 0.420 608 I N 0.371 120.927 120.570 -0.024 0.000 2.252 608 I HA -0.216 3.954 4.170 -0.000 0.000 0.245 608 I C 2.361 178.489 176.117 0.019 0.000 1.102 608 I CA 1.684 62.998 61.300 0.023 0.000 1.385 608 I CB -1.402 36.670 38.000 0.121 0.000 1.064 608 I HN 0.502 nan 8.210 nan 0.000 0.414 609 D N 0.853 121.262 120.400 0.016 0.000 2.219 609 D HA -0.139 4.501 4.640 -0.000 0.000 0.205 609 D C 2.062 178.367 176.300 0.008 0.000 0.970 609 D CA 1.172 55.189 54.000 0.029 0.000 0.851 609 D CB -0.360 40.473 40.800 0.055 0.000 0.943 609 D HN 0.262 nan 8.370 nan 0.000 0.488 610 L N -0.500 120.687 121.223 -0.060 0.000 2.068 610 L HA 0.152 4.492 4.340 -0.000 0.000 0.204 610 L C 2.423 179.261 176.870 -0.053 0.000 1.076 610 L CA 1.091 55.882 54.840 -0.081 0.000 0.753 610 L CB -0.181 41.724 42.059 -0.257 0.000 0.910 610 L HN 0.315 nan 8.230 nan 0.000 0.439 611 I N -0.037 120.499 120.570 -0.056 0.000 2.208 611 I HA -0.320 3.849 4.170 -0.000 0.000 0.245 611 I C 2.613 178.691 176.117 -0.064 0.000 1.097 611 I CA 1.182 62.419 61.300 -0.106 0.000 1.363 611 I CB -0.637 37.229 38.000 -0.224 0.000 1.051 611 I HN 0.410 nan 8.210 nan 0.000 0.413 612 A N 0.858 123.663 122.820 -0.026 0.000 1.851 612 A HA -0.230 4.089 4.320 -0.000 0.000 0.216 612 A C 2.586 180.168 177.584 -0.003 0.000 1.195 612 A CA 2.116 54.160 52.037 0.012 0.000 0.622 612 A CB -1.091 17.936 19.000 0.045 0.000 0.831 612 A HN 0.427 nan 8.150 nan 0.000 0.444 613 A N -0.673 122.138 122.820 -0.015 0.000 1.892 613 A HA -0.116 4.203 4.320 -0.000 0.000 0.218 613 A C 2.249 179.727 177.584 -0.178 0.000 1.188 613 A CA 2.188 54.222 52.037 -0.004 0.000 0.631 613 A CB -1.173 17.875 19.000 0.080 0.000 0.822 613 A HN 0.516 nan 8.150 nan 0.000 0.447 614 V N -0.237 119.427 119.914 -0.417 0.000 2.407 614 V HA -0.313 3.807 4.120 -0.000 0.000 0.248 614 V C 2.628 178.672 176.094 -0.084 0.000 1.055 614 V CA 2.263 64.292 62.300 -0.451 0.000 1.049 614 V CB -0.874 30.789 31.823 -0.267 0.000 0.662 614 V HN 0.650 nan 8.190 nan 0.000 0.455 615 Q N 0.129 119.921 119.800 -0.014 0.000 2.079 615 Q HA -0.191 4.149 4.340 -0.000 0.000 0.200 615 Q C 2.611 178.651 176.000 0.067 0.000 0.974 615 Q CA 2.153 57.988 55.803 0.054 0.000 0.840 615 Q CB -0.345 28.421 28.738 0.047 0.000 0.898 615 Q HN 0.746 nan 8.270 nan 0.000 0.430 616 K N 0.941 121.378 120.400 0.061 0.000 2.057 616 K HA -0.238 4.082 4.320 -0.000 0.000 0.207 616 K C 1.749 178.415 176.600 0.109 0.000 1.049 616 K CA 1.736 58.072 56.287 0.081 0.000 0.931 616 K CB -0.862 31.689 32.500 0.085 0.000 0.714 616 K HN 0.194 nan 8.250 nan 0.000 0.440 617 Q N 0.307 120.195 119.800 0.147 0.000 2.061 617 Q HA -0.227 4.112 4.340 -0.000 0.000 0.204 617 Q C 2.391 178.488 176.000 0.162 0.000 0.984 617 Q CA 2.501 58.426 55.803 0.204 0.000 0.846 617 Q CB -0.299 28.659 28.738 0.365 0.000 0.902 617 Q HN 0.664 nan 8.270 nan 0.000 0.421 618 Q N -0.456 119.428 119.800 0.141 0.000 2.050 618 Q HA -0.152 4.187 4.340 -0.000 0.000 0.202 618 Q C 2.333 178.408 176.000 0.125 0.000 0.980 618 Q CA 2.812 58.704 55.803 0.149 0.000 0.840 618 Q CB -0.701 28.137 28.738 0.167 0.000 0.898 618 Q HN 0.653 nan 8.270 nan 0.000 0.424 619 Q N 0.191 120.051 119.800 0.099 0.000 2.181 619 Q HA -0.253 4.087 4.340 -0.000 0.000 0.205 619 Q C 1.827 177.864 176.000 0.061 0.000 0.980 619 Q CA 2.113 57.957 55.803 0.068 0.000 0.862 619 Q CB -0.618 28.154 28.738 0.056 0.000 0.905 619 Q HN 0.680 nan 8.270 nan 0.000 0.429 620 Q N -1.282 118.561 119.800 0.072 0.000 2.134 620 Q HA 0.087 4.427 4.340 -0.000 0.000 0.195 620 Q C 2.559 178.591 176.000 0.052 0.000 0.958 620 Q CA 1.263 57.101 55.803 0.058 0.000 0.840 620 Q CB 0.058 28.833 28.738 0.061 0.000 0.918 620 Q HN 0.733 nan 8.270 nan 0.000 0.467 621 T N 0.654 115.251 114.554 0.072 0.000 3.155 621 T HA 0.085 4.434 4.350 -0.000 0.000 0.264 621 T C 1.045 175.819 174.700 0.122 0.000 1.160 621 T CA 0.439 62.569 62.100 0.050 0.000 1.075 621 T CB -0.967 67.952 68.868 0.084 0.000 0.921 621 T HN 0.334 nan 8.240 nan 0.000 0.533 622 G N 1.074 109.931 108.800 0.095 0.000 2.855 622 G HA2 0.015 3.975 3.960 -0.000 0.000 0.289 622 G HA3 0.015 3.975 3.960 -0.000 0.000 0.289 622 G C 0.093 174.958 174.900 -0.059 0.000 0.364 622 G CA 0.235 45.367 45.100 0.053 0.000 1.168 622 G HN 0.760 nan 8.290 nan 0.000 0.195 623 N N 1.224 119.779 118.700 -0.242 0.000 2.732 623 N HA 0.092 4.832 4.740 -0.000 0.000 0.230 623 N C 0.156 175.666 175.510 0.001 0.000 1.487 623 N CA -0.574 52.477 53.050 0.001 0.000 0.765 623 N CB 0.351 38.847 38.487 0.014 0.000 1.384 623 N HN 0.637 nan 8.380 nan 0.000 0.530 624 H N -0.235 118.927 119.070 0.153 0.000 2.417 624 H HA 0.368 4.924 4.556 -0.001 0.000 0.325 624 H C -2.250 173.079 175.328 0.002 0.000 1.549 624 H CA -1.252 54.855 56.048 0.098 0.000 1.476 624 H CB 0.334 30.150 29.762 0.091 0.000 1.732 624 H HN 0.324 nan 8.280 nan 0.000 0.695 625 P HA 0.156 nan 4.420 nan 0.000 0.278 625 P C -0.189 177.029 177.300 -0.136 0.000 1.238 625 P CA 0.087 63.135 63.100 -0.087 0.000 0.794 625 P CB 0.795 32.545 31.700 0.083 0.000 0.955 626 I N 1.427 121.816 120.570 -0.303 0.000 2.331 626 I HA 0.186 4.356 4.170 -0.000 0.000 0.292 626 I C 0.531 176.651 176.117 0.006 0.000 0.998 626 I CA -0.424 60.807 61.300 -0.116 0.000 1.267 626 I CB 0.781 38.729 38.000 -0.087 0.000 1.386 626 I HN 0.132 nan 8.210 nan 0.000 0.476 627 T N 6.181 120.735 114.554 0.000 0.000 3.176 627 T HA 0.233 4.583 4.350 -0.000 0.000 0.301 627 T C 0.288 175.010 174.700 0.037 0.000 1.115 627 T CA -0.307 61.780 62.100 -0.021 0.000 1.027 627 T CB -0.143 68.656 68.868 -0.116 0.000 1.063 627 T HN 0.268 nan 8.240 nan 0.000 0.669 628 V N 5.226 125.163 119.914 0.039 0.000 2.649 628 V HA 0.480 4.600 4.120 -0.000 0.000 0.292 628 V C 0.211 176.319 176.094 0.022 0.000 1.055 628 V CA -0.483 61.787 62.300 -0.051 0.000 1.023 628 V CB 0.328 32.106 31.823 -0.074 0.000 0.992 628 V HN 1.033 nan 8.190 nan 0.000 0.480 629 H N 1.696 120.690 119.070 -0.127 0.000 2.981 629 H HA 0.739 5.295 4.556 -0.001 0.000 0.327 629 H C -0.138 175.117 175.328 -0.121 0.000 1.342 629 H CA -0.149 55.831 56.048 -0.114 0.000 1.123 629 H CB 1.261 30.963 29.762 -0.100 0.000 1.851 629 H HN 0.706 nan 8.280 nan 0.000 0.531 630 C N -1.022 118.259 119.300 -0.031 0.000 3.370 630 C HA 0.676 5.135 4.460 -0.000 0.000 0.116 630 C C 1.359 176.373 174.990 0.041 0.000 2.679 630 C CA 0.952 59.907 59.018 -0.106 0.000 0.851 630 C CB 0.832 28.457 27.740 -0.192 0.000 1.519 630 C HN 0.803 nan 8.230 nan 0.000 0.647 631 S N -0.238 115.448 115.700 -0.022 0.000 3.770 631 S HA 0.417 4.886 4.470 -0.000 0.000 0.238 631 S C 1.801 176.378 174.600 -0.038 0.000 1.143 631 S CA 1.294 59.484 58.200 -0.016 0.000 0.869 631 S CB -0.579 62.602 63.200 -0.032 0.000 1.057 631 S HN 1.190 nan 8.310 nan 0.000 0.507 632 A N 0.642 123.428 122.820 -0.056 0.000 1.969 632 A HA 0.389 4.709 4.320 -0.000 0.000 0.218 632 A C 1.873 179.426 177.584 -0.052 0.000 1.169 632 A CA 1.811 53.815 52.037 -0.055 0.000 0.635 632 A CB -1.277 17.686 19.000 -0.061 0.000 0.810 632 A HN 1.651 nan 8.150 nan 0.000 0.445 633 G N -2.977 105.791 108.800 -0.053 0.000 2.176 633 G HA2 0.222 4.182 3.960 -0.000 0.000 0.253 633 G HA3 0.222 4.182 3.960 -0.000 0.000 0.253 633 G C 0.233 175.101 174.900 -0.053 0.000 0.979 633 G CA 0.599 45.666 45.100 -0.055 0.000 0.641 633 G HN 2.016 nan 8.290 nan 0.000 0.530 634 A N -1.721 121.075 122.820 -0.041 0.000 2.532 634 A HA 0.976 5.296 4.320 -0.000 0.000 0.296 634 A C 0.790 178.370 177.584 -0.007 0.000 1.058 634 A CA 1.255 53.283 52.037 -0.015 0.000 0.729 634 A CB 0.864 19.872 19.000 0.012 0.000 1.285 634 A HN 2.155 nan 8.150 nan 0.000 0.396 635 G N 1.559 110.363 108.800 0.006 0.000 1.745 635 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.063 635 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.063 635 G C 0.956 175.849 174.900 -0.011 0.000 1.838 635 G CA 0.287 45.392 45.100 0.007 0.000 1.210 635 G HN 0.742 nan 8.290 nan 0.000 0.375 636 R N 0.326 120.715 120.500 -0.185 0.000 2.073 636 R HA 0.049 4.389 4.340 -0.000 0.000 0.234 636 R C 2.782 179.050 176.300 -0.054 0.000 1.134 636 R CA 2.081 57.984 56.100 -0.329 0.000 0.952 636 R CB -0.820 28.963 30.300 -0.861 0.000 0.850 636 R HN 0.452 nan 8.270 nan 0.000 0.433 637 T N 0.076 114.579 114.554 -0.085 0.000 2.737 637 T HA -0.168 4.182 4.350 -0.000 0.000 0.269 637 T C 1.831 176.552 174.700 0.034 0.000 1.040 637 T CA 1.580 63.664 62.100 -0.025 0.000 1.142 637 T CB -0.516 68.315 68.868 -0.062 0.000 0.861 637 T HN 0.575 nan 8.240 nan 0.000 0.456 638 G N 0.973 109.792 108.800 0.031 0.000 2.404 638 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.215 638 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.215 638 G C 1.735 176.682 174.900 0.078 0.000 1.174 638 G CA 1.348 46.471 45.100 0.039 0.000 0.780 638 G HN 0.451 nan 8.290 nan 0.000 0.537 639 T N 0.836 115.492 114.554 0.169 0.000 2.699 639 T HA -0.178 4.171 4.350 -0.000 0.000 0.268 639 T C 1.924 176.737 174.700 0.190 0.000 1.036 639 T CA 1.319 63.566 62.100 0.245 0.000 1.147 639 T CB -0.298 68.861 68.868 0.485 0.000 0.862 639 T HN 0.264 nan 8.240 nan 0.000 0.446 640 F N 1.353 121.345 119.950 0.070 0.000 2.113 640 F HA 0.019 4.546 4.527 -0.001 0.000 0.297 640 F C 1.945 177.635 175.800 -0.183 0.000 1.103 640 F CA 1.048 59.038 58.000 -0.015 0.000 1.248 640 F CB -0.317 38.672 39.000 -0.019 0.000 0.999 640 F HN 0.063 nan 8.300 nan 0.000 0.475 641 I N 0.207 120.666 120.570 -0.185 0.000 2.394 641 I HA -0.236 3.933 4.170 -0.000 0.000 0.251 641 I C 2.658 178.565 176.117 -0.350 0.000 1.136 641 I CA 0.932 61.895 61.300 -0.562 0.000 1.425 641 I CB -0.922 36.704 38.000 -0.624 0.000 1.079 641 I HN 0.253 nan 8.210 nan 0.000 0.425 642 A N 1.248 123.954 122.820 -0.190 0.000 1.851 642 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 642 A C 2.289 179.746 177.584 -0.211 0.000 1.195 642 A CA 1.679 53.630 52.037 -0.144 0.000 0.622 642 A CB -0.985 17.971 19.000 -0.073 0.000 0.831 642 A HN 0.372 nan 8.150 nan 0.000 0.444 643 L N -0.520 120.551 121.223 -0.253 0.000 2.093 643 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 643 L C 2.870 179.517 176.870 -0.372 0.000 1.085 643 L CA 1.214 55.863 54.840 -0.317 0.000 0.755 643 L CB -0.432 41.442 42.059 -0.308 0.000 0.904 643 L HN 0.340 nan 8.230 nan 0.000 0.435 644 S N 0.197 115.625 115.700 -0.453 0.000 2.365 644 S HA -0.189 4.281 4.470 -0.000 0.000 0.225 644 S C 1.728 176.222 174.600 -0.178 0.000 1.039 644 S CA 1.647 59.626 58.200 -0.369 0.000 1.033 644 S CB -0.349 62.616 63.200 -0.391 0.000 0.887 644 S HN 0.463 nan 8.310 nan 0.000 0.447 645 N N 1.391 120.019 118.700 -0.119 0.000 2.062 645 N HA 0.067 4.806 4.740 -0.000 0.000 0.191 645 N C 1.772 177.155 175.510 -0.213 0.000 1.042 645 N CA 1.008 54.020 53.050 -0.063 0.000 0.845 645 N CB -0.685 37.818 38.487 0.026 0.000 1.024 645 N HN 0.331 nan 8.380 nan 0.000 0.424 646 I N 1.361 121.792 120.570 -0.232 0.000 2.145 646 I HA -0.308 3.862 4.170 -0.000 0.000 0.244 646 I C 2.155 178.053 176.117 -0.365 0.000 1.075 646 I CA 1.104 62.238 61.300 -0.277 0.000 1.332 646 I CB -0.314 37.514 38.000 -0.287 0.000 1.033 646 I HN 0.093 nan 8.210 nan 0.000 0.410 647 L N 0.271 121.231 121.223 -0.438 0.000 1.961 647 L HA -0.226 4.113 4.340 -0.000 0.000 0.210 647 L C 3.199 179.781 176.870 -0.480 0.000 1.072 647 L CA 1.959 56.435 54.840 -0.606 0.000 0.749 647 L CB -1.461 40.147 42.059 -0.751 0.000 0.889 647 L HN 0.343 nan 8.230 nan 0.000 0.432 648 E N 0.659 120.635 120.200 -0.373 0.000 2.136 648 E HA -0.368 3.982 4.350 -0.000 0.000 0.208 648 E C 2.212 178.510 176.600 -0.504 0.000 1.035 648 E CA 2.355 58.565 56.400 -0.316 0.000 0.838 648 E CB -0.926 28.661 29.700 -0.188 0.000 0.748 648 E HN 0.470 nan 8.360 nan 0.000 0.459 649 R N -0.562 119.483 120.500 -0.758 0.000 2.073 649 R HA -0.023 4.317 4.340 -0.000 0.000 0.229 649 R C 2.579 178.664 176.300 -0.359 0.000 1.120 649 R CA 1.278 56.881 56.100 -0.828 0.000 0.967 649 R CB -0.366 29.474 30.300 -0.767 0.000 0.862 649 R HN 0.383 nan 8.270 nan 0.000 0.436 650 V N 1.662 121.398 119.914 -0.296 0.000 2.343 650 V HA -0.257 3.863 4.120 -0.000 0.000 0.247 650 V C 2.883 178.929 176.094 -0.079 0.000 1.051 650 V CA 2.495 64.698 62.300 -0.163 0.000 1.036 650 V CB -0.809 30.905 31.823 -0.181 0.000 0.654 650 V HN 0.564 nan 8.190 nan 0.000 0.451 651 K N 0.001 120.342 120.400 -0.099 0.000 2.057 651 K HA -0.046 4.274 4.320 -0.000 0.000 0.207 651 K C 2.190 178.787 176.600 -0.005 0.000 1.049 651 K CA 1.917 58.211 56.287 0.011 0.000 0.931 651 K CB -1.044 31.471 32.500 0.025 0.000 0.714 651 K HN 0.604 nan 8.250 nan 0.000 0.440 652 A N 1.269 124.055 122.820 -0.055 0.000 1.843 652 A HA -0.039 4.281 4.320 -0.000 0.000 0.213 652 A C 2.142 179.746 177.584 0.033 0.000 1.202 652 A CA 1.516 53.560 52.037 0.011 0.000 0.607 652 A CB -0.036 19.005 19.000 0.068 0.000 0.847 652 A HN 0.606 nan 8.150 nan 0.000 0.445 653 E N -1.579 118.629 120.200 0.013 0.000 2.415 653 E HA 0.280 4.630 4.350 -0.000 0.000 0.197 653 E C 0.900 177.518 176.600 0.030 0.000 1.007 653 E CA 0.294 56.724 56.400 0.051 0.000 0.890 653 E CB 0.179 29.933 29.700 0.090 0.000 0.891 653 E HN 0.741 nan 8.360 nan 0.000 0.496 654 G N 1.944 110.748 108.800 0.007 0.000 2.176 654 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.252 654 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.252 654 G C -0.010 174.897 174.900 0.012 0.000 1.024 654 G CA 0.333 45.442 45.100 0.014 0.000 0.755 654 G HN 0.140 nan 8.290 nan 0.000 0.507 655 L N -1.095 120.126 121.223 -0.003 0.000 2.350 655 L HA 0.882 5.222 4.340 -0.000 0.000 0.260 655 L C -0.123 176.733 176.870 -0.024 0.000 1.015 655 L CA -1.206 53.639 54.840 0.009 0.000 0.821 655 L CB 2.507 44.590 42.059 0.040 0.000 1.370 655 L HN 0.154 nan 8.230 nan 0.000 0.416 656 L N 1.906 123.126 121.223 -0.005 0.000 2.617 656 L HA 0.401 4.741 4.340 -0.000 0.000 0.259 656 L C -1.791 175.079 176.870 -0.001 0.000 0.995 656 L CA -0.150 54.668 54.840 -0.037 0.000 0.899 656 L CB 1.294 43.332 42.059 -0.034 0.000 1.181 656 L HN 0.521 nan 8.230 nan 0.000 0.437 657 D N 3.729 124.127 120.400 -0.003 0.000 2.432 657 D HA 0.212 4.852 4.640 -0.000 0.000 0.265 657 D C 0.894 177.194 176.300 -0.000 0.000 1.160 657 D CA -0.201 53.831 54.000 0.054 0.000 0.911 657 D CB 1.882 42.749 40.800 0.111 0.000 1.052 657 D HN 0.326 nan 8.370 nan 0.000 0.508 658 V N 3.475 123.333 119.914 -0.093 0.000 2.358 658 V HA -0.194 3.926 4.120 -0.000 0.000 0.246 658 V C 2.159 178.265 176.094 0.021 0.000 1.047 658 V CA 1.197 63.357 62.300 -0.234 0.000 1.035 658 V CB -0.690 30.651 31.823 -0.802 0.000 0.658 658 V HN 0.516 nan 8.190 nan 0.000 0.452 659 F N 0.923 120.924 119.950 0.084 0.000 2.095 659 F HA -0.223 4.304 4.527 -0.000 0.000 0.298 659 F C 2.534 178.377 175.800 0.071 0.000 1.104 659 F CA 1.933 60.052 58.000 0.199 0.000 1.232 659 F CB -0.189 38.920 39.000 0.182 0.000 0.987 659 F HN 0.096 nan 8.300 nan 0.000 0.475 660 Q N 0.152 119.984 119.800 0.054 0.000 2.245 660 Q HA 0.025 4.364 4.340 -0.000 0.000 0.201 660 Q C 2.479 178.434 176.000 -0.076 0.000 0.955 660 Q CA 1.039 56.807 55.803 -0.057 0.000 0.870 660 Q CB -0.686 28.126 28.738 0.123 0.000 0.945 660 Q HN 0.545 nan 8.270 nan 0.000 0.461 661 A N 0.392 123.191 122.820 -0.036 0.000 1.877 661 A HA -0.129 4.191 4.320 -0.000 0.000 0.216 661 A C 2.351 179.899 177.584 -0.060 0.000 1.186 661 A CA 1.605 53.619 52.037 -0.037 0.000 0.620 661 A CB -0.571 18.393 19.000 -0.060 0.000 0.822 661 A HN 0.201 nan 8.150 nan 0.000 0.443 662 V N -0.028 119.841 119.914 -0.075 0.000 2.488 662 V HA -0.170 3.950 4.120 -0.000 0.000 0.246 662 V C 2.470 178.470 176.094 -0.158 0.000 1.046 662 V CA 2.058 64.325 62.300 -0.055 0.000 1.053 662 V CB -0.537 31.341 31.823 0.092 0.000 0.679 662 V HN 0.680 nan 8.190 nan 0.000 0.458 663 K N 0.647 120.853 120.400 -0.323 0.000 2.103 663 K HA -0.207 4.113 4.320 -0.000 0.000 0.207 663 K C 2.284 178.778 176.600 -0.176 0.000 1.048 663 K CA 1.897 57.965 56.287 -0.365 0.000 0.930 663 K CB -0.310 31.831 32.500 -0.597 0.000 0.716 663 K HN 0.541 nan 8.250 nan 0.000 0.444 664 S N 1.169 116.802 115.700 -0.111 0.000 2.402 664 S HA -0.068 4.401 4.470 -0.000 0.000 0.229 664 S C 1.957 176.559 174.600 0.002 0.000 1.021 664 S CA 1.082 59.266 58.200 -0.027 0.000 0.974 664 S CB -0.361 62.848 63.200 0.014 0.000 0.800 664 S HN 0.230 nan 8.310 nan 0.000 0.484 665 L N 0.273 121.488 121.223 -0.013 0.000 2.046 665 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 665 L C 2.827 179.707 176.870 0.018 0.000 1.077 665 L CA 0.816 55.661 54.840 0.007 0.000 0.747 665 L CB -0.248 41.806 42.059 -0.007 0.000 0.896 665 L HN 0.324 nan 8.230 nan 0.000 0.432 666 R N 0.078 120.566 120.500 -0.020 0.000 2.148 666 R HA -0.058 4.282 4.340 -0.000 0.000 0.227 666 R C 2.056 178.401 176.300 0.076 0.000 1.103 666 R CA 0.968 57.061 56.100 -0.012 0.000 0.983 666 R CB -0.278 29.964 30.300 -0.096 0.000 0.874 666 R HN 0.430 nan 8.270 nan 0.000 0.451 667 L N 0.288 121.547 121.223 0.060 0.000 2.395 667 L HA -0.062 4.278 4.340 -0.000 0.000 0.218 667 L C 1.968 178.986 176.870 0.246 0.000 1.130 667 L CA 0.912 55.798 54.840 0.078 0.000 0.826 667 L CB -0.198 41.858 42.059 -0.005 0.000 0.941 667 L HN 0.185 nan 8.230 nan 0.000 0.451 668 Q N -0.332 119.625 119.800 0.261 0.000 2.376 668 Q HA 0.130 4.470 4.340 -0.000 0.000 0.206 668 Q C 0.511 176.672 176.000 0.267 0.000 0.921 668 Q CA 0.212 56.195 55.803 0.301 0.000 0.911 668 Q CB 0.865 29.694 28.738 0.152 0.000 1.032 668 Q HN 0.231 nan 8.270 nan 0.000 0.510 669 R N 0.890 121.515 120.500 0.209 0.000 2.647 669 R HA 0.195 4.535 4.340 -0.000 0.000 0.260 669 R C -3.015 173.219 176.300 -0.110 0.000 1.154 669 R CA -1.581 54.478 56.100 -0.068 0.000 1.029 669 R CB 1.650 31.896 30.300 -0.091 0.000 1.262 669 R HN -0.151 nan 8.270 nan 0.000 0.437 670 P HA 0.024 nan 4.420 nan 0.000 0.268 670 P C -0.898 176.299 177.300 -0.172 0.000 1.204 670 P CA 0.629 63.550 63.100 -0.299 0.000 0.768 670 P CB 0.339 31.818 31.700 -0.369 0.000 0.842 671 H N 0.466 119.516 119.070 -0.033 0.000 2.839 671 H HA -0.139 4.417 4.556 -0.001 0.000 0.298 671 H C 1.252 176.578 175.328 -0.004 0.000 1.224 671 H CA 0.400 56.438 56.048 -0.016 0.000 1.144 671 H CB -1.644 28.108 29.762 -0.016 0.000 1.372 671 H HN 0.411 nan 8.280 nan 0.000 0.408 672 M N -0.180 119.450 119.600 0.051 0.000 2.139 672 M HA -0.042 4.438 4.480 -0.000 0.000 0.260 672 M C 1.350 177.701 176.300 0.086 0.000 1.078 672 M CA 1.160 56.487 55.300 0.044 0.000 1.106 672 M CB -0.229 32.379 32.600 0.014 0.000 1.275 672 M HN 0.046 nan 8.290 nan 0.000 0.425 673 V N 0.937 120.918 119.914 0.113 0.000 2.508 673 V HA -0.038 4.082 4.120 -0.000 0.000 0.281 673 V C 1.095 177.340 176.094 0.251 0.000 1.041 673 V CA 0.175 62.599 62.300 0.207 0.000 1.016 673 V CB 1.145 33.140 31.823 0.286 0.000 0.984 673 V HN 0.507 nan 8.190 nan 0.000 0.478 674 Q N 3.147 123.112 119.800 0.274 0.000 2.442 674 Q HA 0.112 4.452 4.340 -0.000 0.000 0.228 674 Q C 0.686 176.917 176.000 0.386 0.000 0.902 674 Q CA 0.671 56.637 55.803 0.272 0.000 0.933 674 Q CB 0.871 29.700 28.738 0.152 0.000 1.071 674 Q HN 0.927 nan 8.270 nan 0.000 0.562 675 T N -2.379 112.359 114.554 0.306 0.000 2.900 675 T HA 0.249 4.599 4.350 -0.000 0.000 0.295 675 T C 0.510 175.047 174.700 -0.272 0.000 1.044 675 T CA -0.783 61.365 62.100 0.079 0.000 0.995 675 T CB 1.388 70.293 68.868 0.063 0.000 1.072 675 T HN 0.103 nan 8.240 nan 0.000 0.473 676 L N 1.531 122.290 121.223 -0.773 0.000 2.129 676 L HA -0.038 4.301 4.340 -0.000 0.000 0.212 676 L C 2.275 179.035 176.870 -0.184 0.000 1.087 676 L CA 1.836 56.176 54.840 -0.833 0.000 0.757 676 L CB -1.013 40.668 42.059 -0.629 0.000 0.896 676 L HN 0.855 nan 8.230 nan 0.000 0.434 677 E N -0.976 119.184 120.200 -0.067 0.000 2.106 677 E HA -0.242 4.108 4.350 -0.000 0.000 0.192 677 E C 2.081 178.782 176.600 0.169 0.000 0.984 677 E CA 1.333 57.767 56.400 0.058 0.000 0.806 677 E CB -0.114 29.615 29.700 0.048 0.000 0.750 677 E HN 0.689 nan 8.360 nan 0.000 0.458 678 Q N -0.038 119.884 119.800 0.202 0.000 2.046 678 Q HA -0.187 4.153 4.340 -0.000 0.000 0.200 678 Q C 2.009 178.231 176.000 0.370 0.000 0.975 678 Q CA 1.381 57.387 55.803 0.339 0.000 0.836 678 Q CB -0.295 28.649 28.738 0.344 0.000 0.896 678 Q HN 0.279 nan 8.270 nan 0.000 0.428 679 Y N 1.500 121.922 120.300 0.204 0.000 2.081 679 Y HA -0.349 4.200 4.550 -0.000 0.000 0.280 679 Y C 2.548 178.602 175.900 0.256 0.000 1.163 679 Y CA 2.422 60.665 58.100 0.239 0.000 1.135 679 Y CB -0.539 38.119 38.460 0.330 0.000 0.970 679 Y HN 0.263 nan 8.280 nan 0.000 0.498 680 E N -0.452 119.913 120.200 0.274 0.000 2.204 680 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 680 E C 1.899 178.616 176.600 0.195 0.000 0.989 680 E CA 1.213 57.744 56.400 0.218 0.000 0.824 680 E CB -1.507 28.292 29.700 0.164 0.000 0.756 680 E HN 0.631 nan 8.360 nan 0.000 0.477 681 F N 0.132 120.117 119.950 0.058 0.000 2.325 681 F HA -0.052 4.475 4.527 -0.001 0.000 0.299 681 F C 2.297 178.084 175.800 -0.022 0.000 1.090 681 F CA 0.963 58.973 58.000 0.016 0.000 1.392 681 F CB -0.476 38.532 39.000 0.014 0.000 1.053 681 F HN 0.310 nan 8.300 nan 0.000 0.521 682 C N -0.231 118.967 119.300 -0.170 0.000 2.432 682 C HA -0.193 4.266 4.460 -0.000 0.000 0.277 682 C C 2.550 177.304 174.990 -0.393 0.000 1.249 682 C CA 1.026 59.823 59.018 -0.369 0.000 1.725 682 C CB -1.568 25.958 27.740 -0.357 0.000 2.028 682 C HN 0.520 nan 8.230 nan 0.000 0.477 683 Y N 1.856 121.997 120.300 -0.266 0.000 2.207 683 Y HA -0.165 4.385 4.550 -0.000 0.000 0.287 683 Y C 2.649 178.443 175.900 -0.178 0.000 1.156 683 Y CA 2.237 60.218 58.100 -0.198 0.000 1.182 683 Y CB -0.900 37.468 38.460 -0.153 0.000 0.979 683 Y HN 0.381 nan 8.280 nan 0.000 0.521 684 K N 0.277 120.656 120.400 -0.034 0.000 1.991 684 K HA -0.161 4.159 4.320 -0.000 0.000 0.212 684 K C 2.162 178.641 176.600 -0.201 0.000 1.049 684 K CA 2.141 58.376 56.287 -0.087 0.000 0.932 684 K CB -1.563 30.920 32.500 -0.029 0.000 0.717 684 K HN 0.211 nan 8.250 nan 0.000 0.441 685 V N 1.077 120.716 119.914 -0.458 0.000 2.407 685 V HA -0.219 3.900 4.120 -0.000 0.000 0.248 685 V C 2.537 178.519 176.094 -0.186 0.000 1.055 685 V CA 1.700 63.756 62.300 -0.407 0.000 1.049 685 V CB -0.213 31.233 31.823 -0.627 0.000 0.662 685 V HN 0.410 nan 8.190 nan 0.000 0.455 686 V N -0.123 119.677 119.914 -0.190 0.000 2.358 686 V HA -0.294 3.826 4.120 -0.000 0.000 0.246 686 V C 3.035 179.142 176.094 0.020 0.000 1.047 686 V CA 2.494 64.736 62.300 -0.097 0.000 1.035 686 V CB -1.207 30.526 31.823 -0.149 0.000 0.658 686 V HN 0.681 nan 8.190 nan 0.000 0.452 687 Q N 0.031 119.837 119.800 0.009 0.000 2.084 687 Q HA -0.279 4.060 4.340 -0.000 0.000 0.202 687 Q C 1.942 177.958 176.000 0.025 0.000 0.978 687 Q CA 2.722 58.541 55.803 0.028 0.000 0.844 687 Q CB -1.747 27.004 28.738 0.022 0.000 0.898 687 Q HN 0.839 nan 8.270 nan 0.000 0.426 688 D N -0.966 119.442 120.400 0.013 0.000 2.178 688 D HA -0.032 4.608 4.640 -0.000 0.000 0.202 688 D C 1.698 178.015 176.300 0.028 0.000 0.974 688 D CA 1.160 55.166 54.000 0.010 0.000 0.841 688 D CB -0.485 40.314 40.800 -0.002 0.000 0.953 688 D HN 0.641 nan 8.370 nan 0.000 0.478 689 F N 0.258 120.158 119.950 -0.083 0.000 2.259 689 F HA 0.125 4.651 4.527 -0.001 0.000 0.298 689 F C 2.036 177.801 175.800 -0.059 0.000 1.088 689 F CA 0.837 58.790 58.000 -0.078 0.000 1.358 689 F CB 0.083 39.020 39.000 -0.105 0.000 1.040 689 F HN 0.111 nan 8.300 nan 0.000 0.505 690 I N 0.310 120.936 120.570 0.094 0.000 3.001 690 I HA -0.046 4.124 4.170 -0.000 0.000 0.268 690 I C 1.032 177.113 176.117 -0.059 0.000 1.267 690 I CA 0.719 62.035 61.300 0.026 0.000 1.472 690 I CB -1.336 36.702 38.000 0.063 0.000 1.089 690 I HN 0.282 nan 8.210 nan 0.000 0.468 691 D N 0.000 120.351 120.400 -0.081 0.000 6.856 691 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 691 D CA 0.000 53.950 54.000 -0.084 0.000 0.868 691 D CB 0.000 40.772 40.800 -0.047 0.000 0.688 691 D HN 0.000 nan 8.370 nan 0.000 0.683